NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
4062 | 1eo1 | cing | recoord | dress | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 8.555 1.792 -3.048 2 2H MET 1 2H MET 1 8.468 3.015 -4.223 3 3H MET 1 3H MET 1 9.670 1.819 -4.324 4 HA MET 1 HA MET 1 7.478 1.702 -5.760 5 1HB MET 1 2HB MET 1 9.450 -0.171 -4.773 6 2HB MET 1 1HB MET 1 7.896 -0.977 -4.985 7 1HG MET 1 2HG MET 1 7.937 0.451 -7.263 8 2HG MET 1 1HG MET 1 9.675 0.275 -7.019 9 1HE MET 1 1HE MET 1 9.013 -1.811 -9.757 10 2HE MET 1 2HE MET 1 10.461 -2.270 -8.863 11 3HE MET 1 3HE MET 1 9.966 -0.580 -8.917 12 H LYS 2 H LYS 2 5.447 2.215 -4.959 13 HA LYS 2 HA LYS 2 4.423 0.527 -2.714 14 1HB LYS 2 2HB LYS 2 3.423 3.207 -3.726 15 2HB LYS 2 1HB LYS 2 2.750 2.309 -2.365 16 1HG LYS 2 2HG LYS 2 4.534 2.784 -0.988 17 2HG LYS 2 1HG LYS 2 5.682 2.857 -2.325 18 1HD LYS 2 2HD LYS 2 4.932 5.037 -2.971 19 2HD LYS 2 1HD LYS 2 3.528 4.940 -1.907 20 1HE LYS 2 2HE LYS 2 5.098 6.300 -0.741 21 2HE LYS 2 1HE LYS 2 5.202 4.713 0.024 22 1HZ LYS 2 1HZ LYS 2 7.231 4.304 -0.875 23 2HZ LYS 2 2HZ LYS 2 7.334 5.998 -0.782 24 3HZ LYS 2 3HZ LYS 2 6.951 5.246 -2.257 25 H ILE 3 H ILE 3 2.857 -0.932 -3.211 26 HA ILE 3 HA ILE 3 1.724 -0.882 -5.952 27 HB ILE 3 HB ILE 3 1.605 -3.001 -3.783 28 1HG1 ILE 3 2HG1 ILE 3 3.013 -3.665 -6.236 29 2HG1 ILE 3 1HG1 ILE 3 3.713 -2.236 -5.476 30 1HG2 ILE 3 1HG2 ILE 3 1.114 -4.136 -6.291 31 2HG2 ILE 3 2HG2 ILE 3 0.169 -2.648 -6.292 32 3HG2 ILE 3 3HG2 ILE 3 -0.079 -3.848 -5.024 33 1HD1 ILE 3 1HD1 ILE 3 3.360 -4.993 -4.298 34 2HD1 ILE 3 2HD1 ILE 3 3.633 -3.579 -3.280 35 3HD1 ILE 3 3HD1 ILE 3 4.845 -4.059 -4.467 36 H ALA 4 H ALA 4 -0.346 -0.226 -6.301 37 HA ALA 4 HA ALA 4 -2.134 0.022 -3.915 38 1HB ALA 4 1HB ALA 4 -1.879 2.226 -4.613 39 2HB ALA 4 2HB ALA 4 -3.289 1.746 -5.557 40 3HB ALA 4 3HB ALA 4 -1.693 1.776 -6.308 41 H ILE 5 H ILE 5 -3.849 -1.350 -3.974 42 HA ILE 5 HA ILE 5 -4.559 -2.605 -6.572 43 HB ILE 5 HB ILE 5 -5.892 -3.402 -4.021 44 1HG1 ILE 5 2HG1 ILE 5 -3.662 -3.204 -3.180 45 2HG1 ILE 5 1HG1 ILE 5 -3.864 -4.908 -3.585 46 1HG2 ILE 5 1HG2 ILE 5 -4.735 -4.859 -6.416 47 2HG2 ILE 5 2HG2 ILE 5 -6.442 -4.561 -6.088 48 3HG2 ILE 5 3HG2 ILE 5 -5.524 -5.655 -5.054 49 1HD1 ILE 5 1HD1 ILE 5 -1.926 -4.626 -4.744 50 2HD1 ILE 5 2HD1 ILE 5 -2.115 -2.874 -4.819 51 3HD1 ILE 5 3HD1 ILE 5 -2.972 -3.904 -5.968 52 H ALA 6 H ALA 6 -6.160 -1.614 -7.690 53 HA ALA 6 HA ALA 6 -7.875 0.396 -6.649 54 1HB ALA 6 1HB ALA 6 -9.243 -0.850 -8.788 55 2HB ALA 6 2HB ALA 6 -7.523 -1.001 -9.151 56 3HB ALA 6 3HB ALA 6 -8.226 0.590 -8.864 57 H SER 7 H SER 7 -10.036 0.320 -5.929 58 HA SER 7 HA SER 7 -11.817 -0.607 -4.717 59 1HB SER 7 2HB SER 7 -11.379 -2.444 -7.036 60 2HB SER 7 1HB SER 7 -12.485 -2.961 -5.768 61 HG SER 7 HG SER 7 -13.382 -0.729 -6.048 62 H SER 8 H SER 8 -10.823 -3.880 -5.372 63 HA SER 8 HA SER 8 -10.046 -5.554 -3.929 64 1HB SER 8 2HB SER 8 -8.574 -3.176 -2.761 65 2HB SER 8 1HB SER 8 -8.266 -4.851 -2.312 66 HG SER 8 HG SER 8 -8.288 -4.147 -5.024 67 H GLY 9 H GLY 9 -12.369 -3.579 -3.190 68 1HA GLY 9 2HA GLY 9 -13.858 -3.321 -1.392 69 2HA GLY 9 1HA GLY 9 -13.331 -4.939 -0.926 70 H THR 10 H THR 10 -13.363 -4.392 1.324 71 HA THR 10 HA THR 10 -11.079 -2.644 2.136 72 HB THR 10 HB THR 10 -13.625 -2.890 3.740 73 HG1 THR 10 HG1 THR 10 -14.530 -1.662 2.325 74 1HG2 THR 10 1HG2 THR 10 -12.805 -0.786 4.722 75 2HG2 THR 10 2HG2 THR 10 -11.408 -0.824 3.644 76 3HG2 THR 10 3HG2 THR 10 -11.602 -2.065 4.883 77 H ASP 11 H ASP 11 -12.498 -5.716 2.282 78 HA ASP 11 HA ASP 11 -10.759 -6.383 4.617 79 1HB ASP 11 2HB ASP 11 -13.642 -6.754 4.322 80 2HB ASP 11 1HB ASP 11 -12.804 -8.264 4.684 81 H LEU 12 H LEU 12 -12.805 -8.649 2.861 82 HA LEU 12 HA LEU 12 -10.620 -9.532 1.122 83 1HB LEU 12 2HB LEU 12 -10.433 -11.777 2.099 84 2HB LEU 12 1HB LEU 12 -10.011 -10.558 3.301 85 HG LEU 12 HG LEU 12 -12.879 -11.290 3.193 86 1HD1 LEU 12 1HD1 LEU 12 -12.666 -13.424 4.192 87 2HD1 LEU 12 2HD1 LEU 12 -10.948 -13.193 4.520 88 3HD1 LEU 12 3HD1 LEU 12 -11.503 -13.458 2.867 89 1HD2 LEU 12 1HD2 LEU 12 -11.268 -9.871 4.881 90 2HD2 LEU 12 2HD2 LEU 12 -11.281 -11.442 5.682 91 3HD2 LEU 12 3HD2 LEU 12 -12.798 -10.599 5.370 92 H GLY 13 H GLY 13 -13.521 -8.706 1.026 93 1HA GLY 13 2HA GLY 13 -14.670 -11.212 -0.128 94 2HA GLY 13 1HA GLY 13 -15.632 -9.849 0.446 95 H SER 14 H SER 14 -14.160 -7.748 -0.759 96 HA SER 14 HA SER 14 -15.202 -7.923 -3.474 97 1HB SER 14 2HB SER 14 -14.885 -5.845 -1.811 98 2HB SER 14 1HB SER 14 -13.359 -5.722 -2.678 99 HG SER 14 HG SER 14 -15.775 -4.973 -3.472 100 H GLU 15 H GLU 15 -13.891 -9.692 -4.286 101 HA GLU 15 HA GLU 15 -11.004 -9.509 -4.382 102 1HB GLU 15 2HB GLU 15 -11.189 -11.390 -5.996 103 2HB GLU 15 1HB GLU 15 -12.142 -11.677 -4.539 104 1HG GLU 15 2HG GLU 15 -13.993 -11.899 -5.795 105 2HG GLU 15 1HG GLU 15 -13.787 -10.247 -6.378 106 H VAL 16 H VAL 16 -10.757 -7.327 -5.243 107 HA VAL 16 HA VAL 16 -10.181 -5.912 -7.028 108 HB VAL 16 HB VAL 16 -10.953 -8.199 -8.856 109 1HG1 VAL 16 1HG1 VAL 16 -10.601 -6.204 -10.100 110 2HG1 VAL 16 2HG1 VAL 16 -9.077 -7.086 -10.212 111 3HG1 VAL 16 3HG1 VAL 16 -9.231 -5.728 -9.097 112 1HG2 VAL 16 1HG2 VAL 16 -9.377 -9.179 -7.372 113 2HG2 VAL 16 2HG2 VAL 16 -8.440 -7.689 -7.257 114 3HG2 VAL 16 3HG2 VAL 16 -8.409 -8.637 -8.744 115 H SER 17 H SER 17 -13.159 -6.929 -6.239 116 HA SER 17 HA SER 17 -15.334 -6.264 -6.823 117 1HB SER 17 2HB SER 17 -13.556 -3.939 -7.341 118 2HB SER 17 1HB SER 17 -15.171 -3.859 -8.043 119 HG SER 17 HG SER 17 -15.445 -3.098 -6.029 120 H ARG 18 H ARG 18 -14.176 -4.418 -9.555 121 HA ARG 18 HA ARG 18 -14.585 -6.603 -11.465 122 1HB ARG 18 2HB ARG 18 -16.703 -4.629 -10.839 123 2HB ARG 18 1HB ARG 18 -16.384 -4.874 -12.556 124 1HG ARG 18 2HG ARG 18 -16.383 -7.451 -11.684 125 2HG ARG 18 1HG ARG 18 -17.548 -6.735 -10.569 126 1HD ARG 18 2HD ARG 18 -18.594 -5.663 -12.690 127 2HD ARG 18 1HD ARG 18 -17.666 -6.872 -13.577 128 HE ARG 18 HE ARG 18 -18.897 -8.592 -12.158 129 1HH1 ARG 18 2HH1 ARG 18 -20.321 -6.748 -10.334 130 2HH1 ARG 18 1HH1 ARG 18 -21.875 -6.591 -11.082 131 1HH2 ARG 18 1HH2 ARG 18 -20.816 -7.816 -14.148 132 2HH2 ARG 18 2HH2 ARG 18 -22.155 -7.195 -13.242 133 H PHE 19 H PHE 19 -15.146 -3.105 -11.853 134 HA PHE 19 HA PHE 19 -12.694 -3.039 -13.567 135 1HB PHE 19 2HB PHE 19 -15.406 -1.789 -13.879 136 2HB PHE 19 1HB PHE 19 -14.001 -0.976 -14.567 137 HD1 PHE 19 HD1 PHE 19 -12.996 -1.753 -16.573 138 HD2 PHE 19 HD2 PHE 19 -15.841 -4.221 -14.503 139 HE1 PHE 19 HE1 PHE 19 -13.023 -3.329 -18.489 140 HE2 PHE 19 HE2 PHE 19 -15.868 -5.797 -16.419 141 HZ PHE 19 HZ PHE 19 -14.458 -5.352 -18.412 142 H PHE 20 H PHE 20 -11.911 -0.627 -13.771 143 HA PHE 20 HA PHE 20 -11.948 0.558 -11.023 144 1HB PHE 20 2HB PHE 20 -9.740 -0.251 -11.432 145 2HB PHE 20 1HB PHE 20 -9.741 0.367 -13.083 146 HD1 PHE 20 HD1 PHE 20 -7.814 1.796 -12.937 147 HD2 PHE 20 HD2 PHE 20 -11.044 2.200 -10.131 148 HE1 PHE 20 HE1 PHE 20 -6.854 3.940 -12.139 149 HE2 PHE 20 HE2 PHE 20 -10.083 4.345 -9.333 150 HZ PHE 20 HZ PHE 20 -7.987 5.214 -10.338 151 H GLY 21 H GLY 21 -13.387 2.242 -11.203 152 1HA GLY 21 2HA GLY 21 -12.748 4.331 -13.218 153 2HA GLY 21 1HA GLY 21 -14.406 3.728 -13.147 154 H ARG 22 H ARG 22 -15.103 3.581 -10.617 155 HA ARG 22 HA ARG 22 -14.339 6.184 -9.358 156 1HB ARG 22 2HB ARG 22 -17.127 4.995 -9.531 157 2HB ARG 22 1HB ARG 22 -16.695 6.482 -8.686 158 1HG ARG 22 2HG ARG 22 -16.432 7.676 -10.631 159 2HG ARG 22 1HG ARG 22 -15.868 6.272 -11.539 160 1HD ARG 22 2HD ARG 22 -17.945 6.300 -12.461 161 2HD ARG 22 1HD ARG 22 -18.445 5.541 -10.950 162 HE ARG 22 HE ARG 22 -19.049 7.829 -10.138 163 1HH1 ARG 22 1HH2 ARG 22 -17.746 8.032 -13.244 164 2HH1 ARG 22 2HH2 ARG 22 -18.976 9.077 -13.873 165 1HH2 ARG 22 2HH1 ARG 22 -20.970 8.869 -11.045 166 2HH2 ARG 22 1HH1 ARG 22 -20.801 9.552 -12.628 167 H ALA 23 H ALA 23 -13.788 3.146 -8.972 168 HA ALA 23 HA ALA 23 -14.944 2.118 -6.662 169 1HB ALA 23 1HB ALA 23 -13.284 0.856 -7.908 170 2HB ALA 23 2HB ALA 23 -12.733 1.016 -6.240 171 3HB ALA 23 3HB ALA 23 -12.034 2.032 -7.499 172 HA PRO 24 HA PRO 24 -13.650 5.445 -3.889 173 1HB PRO 24 2HB PRO 24 -15.643 4.962 -2.062 174 2HB PRO 24 1HB PRO 24 -15.879 5.933 -3.526 175 1HG PRO 24 2HG PRO 24 -16.819 3.167 -2.940 176 2HG PRO 24 1HG PRO 24 -17.489 4.368 -4.057 177 1HD PRO 24 2HD PRO 24 -15.871 2.140 -4.759 178 2HD PRO 24 1HD PRO 24 -16.322 3.491 -5.821 179 H TYR 25 H TYR 25 -12.296 2.884 -3.891 180 HA TYR 25 HA TYR 25 -11.627 2.702 -1.049 181 1HB TYR 25 2HB TYR 25 -13.284 0.648 -2.423 182 2HB TYR 25 1HB TYR 25 -11.972 0.048 -1.408 183 HD1 TYR 25 HD1 TYR 25 -11.854 0.719 1.008 184 HD2 TYR 25 HD2 TYR 25 -15.236 1.659 -1.471 185 HE1 TYR 25 HE1 TYR 25 -13.213 1.170 3.034 186 HE2 TYR 25 HE2 TYR 25 -16.596 2.111 0.555 187 HH TYR 25 HH TYR 25 -15.438 1.341 3.753 188 H PHE 26 H PHE 26 -9.731 3.528 -2.466 189 HA PHE 26 HA PHE 26 -8.339 1.439 -3.999 190 1HB PHE 26 2HB PHE 26 -8.270 4.280 -3.891 191 2HB PHE 26 1HB PHE 26 -6.667 3.706 -3.426 192 HD1 PHE 26 HD1 PHE 26 -5.140 3.269 -5.127 193 HD2 PHE 26 HD2 PHE 26 -9.345 2.921 -5.945 194 HE1 PHE 26 HE1 PHE 26 -4.636 2.747 -7.500 195 HE2 PHE 26 HE2 PHE 26 -8.840 2.399 -8.318 196 HZ PHE 26 HZ PHE 26 -6.486 2.311 -9.096 197 H MET 27 H MET 27 -7.284 -0.117 -2.858 198 HA MET 27 HA MET 27 -6.382 0.362 -0.119 199 1HB MET 27 2HB MET 27 -6.788 -1.928 -1.867 200 2HB MET 27 1HB MET 27 -5.248 -2.038 -1.012 201 1HG MET 27 2HG MET 27 -6.246 -2.167 1.057 202 2HG MET 27 1HG MET 27 -7.622 -1.178 0.571 203 1HE MET 27 1HE MET 27 -8.242 -4.905 1.876 204 2HE MET 27 2HE MET 27 -9.335 -3.524 1.919 205 3HE MET 27 3HE MET 27 -7.640 -3.309 2.347 206 H ILE 28 H ILE 28 -4.316 0.839 0.529 207 HA ILE 28 HA ILE 28 -2.274 1.136 -1.631 208 HB ILE 28 HB ILE 28 -2.126 2.396 1.109 209 1HG1 ILE 28 2HG1 ILE 28 -4.282 3.041 0.076 210 2HG1 ILE 28 1HG1 ILE 28 -3.167 4.406 0.129 211 1HG2 ILE 28 1HG2 ILE 28 -0.148 2.265 -0.522 212 2HG2 ILE 28 2HG2 ILE 28 -0.568 3.870 0.077 213 3HG2 ILE 28 3HG2 ILE 28 -1.059 3.377 -1.543 214 1HD1 ILE 28 1HD1 ILE 28 -4.465 3.871 -2.098 215 2HD1 ILE 28 2HD1 ILE 28 -3.212 2.645 -2.301 216 3HD1 ILE 28 3HD1 ILE 28 -2.768 4.346 -2.166 217 H VAL 29 H VAL 29 -0.331 0.055 -1.432 218 HA VAL 29 HA VAL 29 0.128 -1.477 1.090 219 HB VAL 29 HB VAL 29 0.378 -2.496 -1.756 220 1HG1 VAL 29 1HG1 VAL 29 1.250 -3.673 0.894 221 2HG1 VAL 29 2HG1 VAL 29 2.243 -3.376 -0.533 222 3HG1 VAL 29 3HG1 VAL 29 1.023 -4.649 -0.558 223 1HG2 VAL 29 1HG2 VAL 29 -1.108 -4.210 -0.048 224 2HG2 VAL 29 2HG2 VAL 29 -1.714 -3.252 -1.399 225 3HG2 VAL 29 3HG2 VAL 29 -1.707 -2.575 0.229 226 H GLU 30 H GLU 30 1.890 -0.356 1.862 227 HA GLU 30 HA GLU 30 3.987 0.572 0.019 228 1HB GLU 30 2HB GLU 30 3.486 0.819 2.978 229 2HB GLU 30 1HB GLU 30 5.071 1.209 2.310 230 1HG GLU 30 2HG GLU 30 4.271 3.022 1.102 231 2HG GLU 30 1HG GLU 30 2.638 2.362 0.995 232 H MET 31 H MET 31 4.809 -1.449 -0.776 233 HA MET 31 HA MET 31 5.846 -3.427 1.129 234 1HB MET 31 2HB MET 31 5.669 -3.191 -1.851 235 2HB MET 31 1HB MET 31 6.864 -4.294 -1.168 236 1HG MET 31 2HG MET 31 4.590 -4.826 0.328 237 2HG MET 31 1HG MET 31 3.951 -4.557 -1.294 238 1HE MET 31 1HE MET 31 3.132 -7.161 -1.024 239 2HE MET 31 2HE MET 31 3.976 -8.053 -2.287 240 3HE MET 31 3HE MET 31 3.444 -6.401 -2.591 241 H LYS 32 H LYS 32 8.026 -3.722 1.649 242 HA LYS 32 HA LYS 32 9.892 -1.631 0.599 243 1HB LYS 32 2HB LYS 32 9.158 -1.756 3.152 244 2HB LYS 32 1HB LYS 32 10.401 -3.005 3.209 245 1HG LYS 32 2HG LYS 32 11.312 -0.750 3.737 246 2HG LYS 32 1HG LYS 32 12.052 -1.447 2.297 247 1HD LYS 32 2HD LYS 32 11.152 0.123 0.919 248 2HD LYS 32 1HD LYS 32 9.612 0.129 1.778 249 1HE LYS 32 2HE LYS 32 10.968 1.312 3.677 250 2HE LYS 32 1HE LYS 32 12.120 1.670 2.390 251 1HZ LYS 32 1HZ LYS 32 9.553 2.819 2.901 252 2HZ LYS 32 2HZ LYS 32 9.692 2.264 1.302 253 3HZ LYS 32 3HZ LYS 32 10.811 3.385 1.916 254 H LYS 33 H LYS 33 10.332 -4.689 2.404 255 HA LYS 33 HA LYS 33 12.301 -5.482 0.300 256 1HB LYS 33 2HB LYS 33 12.111 -6.513 3.146 257 2HB LYS 33 1HB LYS 33 13.419 -6.797 1.996 258 1HG LYS 33 2HG LYS 33 13.811 -4.308 1.942 259 2HG LYS 33 1HG LYS 33 12.638 -4.152 3.252 260 1HD LYS 33 2HD LYS 33 13.994 -5.480 4.731 261 2HD LYS 33 1HD LYS 33 15.079 -5.937 3.417 262 1HE LYS 33 2HE LYS 33 14.758 -3.025 3.807 263 2HE LYS 33 1HE LYS 33 15.555 -3.868 5.135 264 1HZ LYS 33 1HZ LYS 33 16.327 -4.081 2.275 265 2HZ LYS 33 2HZ LYS 33 17.120 -4.812 3.588 266 3HZ LYS 33 3HZ LYS 33 17.120 -3.121 3.426 267 H GLY 34 H GLY 34 9.900 -6.049 -0.595 268 1HA GLY 34 2HA GLY 34 8.555 -7.820 -1.349 269 2HA GLY 34 1HA GLY 34 9.787 -8.913 -0.715 270 H ASN 35 H ASN 35 8.632 -6.711 1.612 271 HA ASN 35 HA ASN 35 6.635 -8.694 2.607 272 1HB ASN 35 2HB ASN 35 8.644 -9.095 3.895 273 2HB ASN 35 1HB ASN 35 8.859 -7.368 4.183 274 1HD2 ASN 35 1HD2 ASN 35 8.252 -6.850 6.283 275 2HD2 ASN 35 2HD2 ASN 35 6.942 -7.535 7.119 276 H ILE 36 H ILE 36 4.776 -7.516 2.383 277 HA ILE 36 HA ILE 36 4.379 -4.786 2.310 278 HB ILE 36 HB ILE 36 2.608 -6.804 3.721 279 1HG1 ILE 36 2HG1 ILE 36 1.526 -6.174 1.243 280 2HG1 ILE 36 1HG1 ILE 36 3.257 -6.267 0.915 281 1HG2 ILE 36 1HG2 ILE 36 2.352 -3.922 3.123 282 2HG2 ILE 36 2HG2 ILE 36 1.502 -4.904 4.316 283 3HG2 ILE 36 3HG2 ILE 36 0.969 -4.902 2.635 284 1HD1 ILE 36 1HD1 ILE 36 2.889 -8.507 0.769 285 2HD1 ILE 36 2HD1 ILE 36 1.366 -8.408 1.652 286 3HD1 ILE 36 3HD1 ILE 36 2.894 -8.450 2.531 287 H GLU 37 H GLU 37 5.154 -3.260 3.683 288 HA GLU 37 HA GLU 37 5.437 -3.922 6.565 289 1HB GLU 37 2HB GLU 37 6.730 -2.048 4.683 290 2HB GLU 37 1HB GLU 37 6.420 -1.381 6.286 291 1HG GLU 37 2HG GLU 37 7.714 -4.084 5.904 292 2HG GLU 37 1HG GLU 37 8.659 -2.596 5.969 293 H SER 38 H SER 38 3.242 -2.422 4.480 294 HA SER 38 HA SER 38 1.698 -1.401 6.745 295 1HB SER 38 2HB SER 38 2.070 0.693 4.688 296 2HB SER 38 1HB SER 38 1.939 0.846 6.438 297 HG SER 38 HG SER 38 4.176 0.297 4.831 298 H SER 39 H SER 39 -0.326 -2.065 6.250 299 HA SER 39 HA SER 39 -1.171 -1.978 3.383 300 1HB SER 39 2HB SER 39 -2.814 -3.836 4.220 301 2HB SER 39 1HB SER 39 -1.146 -4.270 3.860 302 HG SER 39 HG SER 39 -2.495 -4.212 6.252 303 H GLU 40 H GLU 40 -2.350 -0.102 3.348 304 HA GLU 40 HA GLU 40 -4.509 0.163 5.403 305 1HB GLU 40 2HB GLU 40 -3.119 2.418 3.929 306 2HB GLU 40 1HB GLU 40 -4.292 2.573 5.238 307 1HG GLU 40 2HG GLU 40 -2.780 1.921 6.860 308 2HG GLU 40 1HG GLU 40 -1.851 0.923 5.741 309 H VAL 41 H VAL 41 -6.156 1.954 4.370 310 HA VAL 41 HA VAL 41 -6.617 1.439 1.502 311 HB VAL 41 HB VAL 41 -7.742 -0.477 2.441 312 1HG1 VAL 41 1HG1 VAL 41 -8.069 1.229 4.673 313 2HG1 VAL 41 2HG1 VAL 41 -8.560 -0.460 4.538 314 3HG1 VAL 41 3HG1 VAL 41 -9.694 0.824 4.122 315 1HG2 VAL 41 1HG2 VAL 41 -10.090 0.015 1.847 316 2HG2 VAL 41 2HG2 VAL 41 -8.981 0.755 0.691 317 3HG2 VAL 41 3HG2 VAL 41 -9.749 1.744 1.933 318 H ILE 42 H ILE 42 -7.458 3.269 0.601 319 HA ILE 42 HA ILE 42 -8.641 5.288 2.464 320 HB ILE 42 HB ILE 42 -7.785 7.012 1.028 321 1HG1 ILE 42 2HG1 ILE 42 -7.048 4.743 -0.850 322 2HG1 ILE 42 1HG1 ILE 42 -8.279 5.975 -1.131 323 1HG2 ILE 42 1HG2 ILE 42 -6.112 5.059 2.244 324 2HG2 ILE 42 2HG2 ILE 42 -5.739 6.754 1.930 325 3HG2 ILE 42 3HG2 ILE 42 -5.345 5.526 0.727 326 1HD1 ILE 42 1HD1 ILE 42 -6.356 6.717 -2.330 327 2HD1 ILE 42 2HD1 ILE 42 -5.283 6.347 -0.981 328 3HD1 ILE 42 3HD1 ILE 42 -6.408 7.700 -0.867 329 H GLU 43 H GLU 43 -10.718 5.906 2.069 330 HA GLU 43 HA GLU 43 -12.049 4.780 -0.339 331 1HB GLU 43 2HB GLU 43 -14.150 5.528 0.898 332 2HB GLU 43 1HB GLU 43 -13.213 4.263 1.694 333 1HG GLU 43 2HG GLU 43 -12.268 6.912 2.440 334 2HG GLU 43 1HG GLU 43 -13.979 6.708 2.816 335 H ASN 44 H ASN 44 -13.296 6.145 -1.733 336 HA ASN 44 HA ASN 44 -12.170 8.750 -2.198 337 1HB ASN 44 2HB ASN 44 -14.510 7.218 -3.301 338 2HB ASN 44 1HB ASN 44 -14.320 8.926 -3.701 339 1HD2 ASN 44 1HD2 ASN 44 -14.076 7.292 -5.862 340 2HD2 ASN 44 2HD2 ASN 44 -12.452 7.089 -6.314 341 HA PRO 45 HA PRO 45 -14.670 11.198 0.459 342 1HB PRO 45 2HB PRO 45 -14.470 13.590 -0.881 343 2HB PRO 45 1HB PRO 45 -13.156 12.897 0.085 344 1HG PRO 45 2HG PRO 45 -13.431 13.038 -2.880 345 2HG PRO 45 1HG PRO 45 -11.963 12.951 -1.894 346 1HD PRO 45 2HD PRO 45 -13.146 10.800 -3.307 347 2HD PRO 45 1HD PRO 45 -11.878 10.667 -2.070 348 H SER 46 H SER 46 -15.343 12.748 -2.664 349 HA SER 46 HA SER 46 -18.210 11.942 -2.357 350 1HB SER 46 2HB SER 46 -17.258 14.506 -2.115 351 2HB SER 46 1HB SER 46 -17.668 14.443 -3.827 352 HG SER 46 HG SER 46 -19.349 14.962 -2.069 353 H ALA 47 H ALA 47 -17.416 10.134 -3.811 354 HA ALA 47 HA ALA 47 -16.610 10.796 -6.525 355 1HB ALA 47 1HB ALA 47 -16.084 8.628 -5.297 356 2HB ALA 47 2HB ALA 47 -16.697 8.437 -6.940 357 3HB ALA 47 3HB ALA 47 -17.767 8.171 -5.563 358 H SER 48 H SER 48 -19.604 10.707 -4.874 359 HA SER 48 HA SER 48 -21.050 10.623 -7.493 360 1HB SER 48 2HB SER 48 -21.527 9.224 -5.007 361 2HB SER 48 1HB SER 48 -22.908 10.241 -5.406 362 HG SER 48 HG SER 48 -21.685 8.690 -7.403 363 H ALA 49 H ALA 49 -20.238 13.024 -7.281 364 HA ALA 49 HA ALA 49 -22.500 14.678 -6.782 365 1HB ALA 49 1HB ALA 49 -21.299 13.967 -4.401 366 2HB ALA 49 2HB ALA 49 -22.286 15.408 -4.643 367 3HB ALA 49 3HB ALA 49 -20.530 15.513 -4.765 368 H SER 50 H SER 50 -18.933 14.789 -6.456 369 HA SER 50 HA SER 50 -18.559 17.405 -7.448 370 1HB SER 50 2HB SER 50 -16.895 14.973 -7.187 371 2HB SER 50 1HB SER 50 -16.357 16.114 -8.416 372 HG SER 50 HG SER 50 -16.017 17.604 -6.906 373 H GLY 51 H GLY 51 -17.502 17.866 -9.673 374 1HA GLY 51 2HA GLY 51 -19.222 16.595 -11.743 375 2HA GLY 51 1HA GLY 51 -18.419 18.157 -11.905 376 H GLY 52 H GLY 52 -18.326 15.365 -13.360 377 1HA GLY 52 2HA GLY 52 -16.681 14.071 -14.432 378 2HA GLY 52 1HA GLY 52 -15.778 15.586 -14.496 379 H ALA 53 H ALA 53 -16.354 12.692 -12.547 380 HA ALA 53 HA ALA 53 -13.666 13.116 -11.327 381 1HB ALA 53 1HB ALA 53 -14.485 12.447 -9.143 382 2HB ALA 53 2HB ALA 53 -16.095 12.139 -9.797 383 3HB ALA 53 3HB ALA 53 -15.476 13.789 -9.717 384 H GLY 54 H GLY 54 -14.093 10.690 -9.668 385 1HA GLY 54 2HA GLY 54 -14.127 8.325 -9.897 386 2HA GLY 54 1HA GLY 54 -14.587 8.524 -11.588 387 H ILE 55 H ILE 55 -12.867 9.137 -13.114 388 HA ILE 55 HA ILE 55 -10.404 7.691 -12.570 389 HB ILE 55 HB ILE 55 -10.847 9.571 -14.891 390 1HG1 ILE 55 2HG1 ILE 55 -12.868 8.283 -14.841 391 2HG1 ILE 55 1HG1 ILE 55 -11.825 7.507 -16.033 392 1HG2 ILE 55 1HG2 ILE 55 -9.242 8.273 -15.975 393 2HG2 ILE 55 2HG2 ILE 55 -9.562 6.858 -14.971 394 3HG2 ILE 55 3HG2 ILE 55 -8.658 8.221 -14.312 395 1HD1 ILE 55 1HD1 ILE 55 -12.446 6.610 -13.220 396 2HD1 ILE 55 2HD1 ILE 55 -11.017 6.024 -14.073 397 3HD1 ILE 55 3HD1 ILE 55 -12.625 5.708 -14.724 398 H ARG 56 H ARG 56 -11.449 10.789 -11.783 399 HA ARG 56 HA ARG 56 -8.957 12.226 -12.175 400 1HB ARG 56 2HB ARG 56 -11.475 12.737 -10.599 401 2HB ARG 56 1HB ARG 56 -10.069 13.784 -10.411 402 1HG ARG 56 2HG ARG 56 -11.432 13.155 -13.047 403 2HG ARG 56 1HG ARG 56 -11.630 14.651 -12.133 404 1HD ARG 56 2HD ARG 56 -8.839 14.216 -12.377 405 2HD ARG 56 1HD ARG 56 -9.534 13.938 -13.973 406 HE ARG 56 HE ARG 56 -10.402 16.223 -13.931 407 1HH1 ARG 56 1HH2 ARG 56 -7.438 15.880 -12.645 408 2HH1 ARG 56 2HH2 ARG 56 -7.498 17.234 -11.566 409 1HH2 ARG 56 2HH1 ARG 56 -10.908 17.728 -11.953 410 2HH2 ARG 56 1HH1 ARG 56 -9.464 18.282 -11.176 411 H THR 57 H THR 57 -10.199 10.055 -9.769 412 HA THR 57 HA THR 57 -8.680 10.826 -7.504 413 HB THR 57 HB THR 57 -10.418 9.093 -7.394 414 HG1 THR 57 HG1 THR 57 -9.364 8.154 -5.846 415 1HG2 THR 57 1HG2 THR 57 -10.469 7.301 -8.770 416 2HG2 THR 57 2HG2 THR 57 -8.767 6.936 -8.487 417 3HG2 THR 57 3HG2 THR 57 -9.224 8.134 -9.700 418 H ALA 58 H ALA 58 -7.700 9.354 -10.491 419 HA ALA 58 HA ALA 58 -5.341 8.013 -9.749 420 1HB ALA 58 1HB ALA 58 -6.426 9.217 -12.185 421 2HB ALA 58 2HB ALA 58 -5.486 7.737 -11.990 422 3HB ALA 58 3HB ALA 58 -4.665 9.293 -12.121 423 H GLN 59 H GLN 59 -5.714 11.473 -10.600 424 HA GLN 59 HA GLN 59 -3.090 12.339 -10.320 425 1HB GLN 59 2HB GLN 59 -5.039 13.800 -10.896 426 2HB GLN 59 1HB GLN 59 -5.510 13.783 -9.196 427 1HG GLN 59 2HG GLN 59 -3.130 14.620 -8.699 428 2HG GLN 59 1HG GLN 59 -3.013 14.957 -10.426 429 1HE2 GLN 59 1HE2 GLN 59 -5.674 15.401 -8.016 430 2HE2 GLN 59 2HE2 GLN 59 -5.935 17.035 -8.395 431 H ILE 60 H ILE 60 -5.420 11.688 -7.708 432 HA ILE 60 HA ILE 60 -3.625 12.519 -5.597 433 HB ILE 60 HB ILE 60 -6.045 10.694 -5.526 434 1HG1 ILE 60 2HG1 ILE 60 -5.923 13.546 -4.573 435 2HG1 ILE 60 1HG1 ILE 60 -6.186 13.202 -6.284 436 1HG2 ILE 60 1HG2 ILE 60 -6.047 11.063 -3.130 437 2HG2 ILE 60 2HG2 ILE 60 -4.682 12.172 -3.259 438 3HG2 ILE 60 3HG2 ILE 60 -4.455 10.455 -3.589 439 1HD1 ILE 60 1HD1 ILE 60 -7.960 12.653 -3.945 440 2HD1 ILE 60 2HD1 ILE 60 -7.984 11.500 -5.279 441 3HD1 ILE 60 3HD1 ILE 60 -8.380 13.194 -5.570 442 H ILE 61 H ILE 61 -4.396 9.387 -7.095 443 HA ILE 61 HA ILE 61 -2.963 7.709 -5.328 444 HB ILE 61 HB ILE 61 -3.367 7.486 -8.325 445 1HG1 ILE 61 2HG1 ILE 61 -4.735 5.904 -6.152 446 2HG1 ILE 61 1HG1 ILE 61 -5.339 7.493 -6.622 447 1HG2 ILE 61 1HG2 ILE 61 -2.863 5.056 -7.936 448 2HG2 ILE 61 2HG2 ILE 61 -2.347 5.471 -6.302 449 3HG2 ILE 61 3HG2 ILE 61 -1.470 6.108 -7.692 450 1HD1 ILE 61 1HD1 ILE 61 -4.959 6.313 -9.066 451 2HD1 ILE 61 2HD1 ILE 61 -6.498 6.346 -8.206 452 3HD1 ILE 61 3HD1 ILE 61 -5.449 4.934 -8.084 453 H ALA 62 H ALA 62 -1.819 9.793 -7.932 454 HA ALA 62 HA ALA 62 0.894 8.728 -7.885 455 1HB ALA 62 1HB ALA 62 -0.522 10.982 -9.234 456 2HB ALA 62 2HB ALA 62 0.526 9.744 -9.922 457 3HB ALA 62 3HB ALA 62 1.228 11.114 -9.062 458 H ASN 63 H ASN 63 -0.851 11.317 -6.266 459 HA ASN 63 HA ASN 63 1.511 12.627 -5.217 460 1HB ASN 63 2HB ASN 63 -0.592 13.849 -5.376 461 2HB ASN 63 1HB ASN 63 -1.384 12.686 -4.312 462 1HD2 ASN 63 1HD2 ASN 63 -1.730 13.834 -2.386 463 2HD2 ASN 63 2HD2 ASN 63 -0.527 14.692 -1.551 464 H ASN 64 H ASN 64 -0.115 9.726 -4.432 465 HA ASN 64 HA ASN 64 0.766 9.748 -1.613 466 1HB ASN 64 2HB ASN 64 -1.016 8.075 -3.293 467 2HB ASN 64 1HB ASN 64 -0.138 7.223 -2.022 468 1HD2 ASN 64 1HD2 ASN 64 -1.036 10.631 -1.679 469 2HD2 ASN 64 2HD2 ASN 64 -2.202 10.385 -0.470 470 H GLY 65 H GLY 65 2.246 9.181 -4.520 471 1HA GLY 65 2HA GLY 65 4.479 8.381 -4.798 472 2HA GLY 65 1HA GLY 65 4.381 7.632 -3.204 473 H VAL 66 H VAL 66 1.575 6.724 -4.526 474 HA VAL 66 HA VAL 66 2.143 4.010 -4.828 475 HB VAL 66 HB VAL 66 0.099 5.651 -6.355 476 1HG1 VAL 66 1HG1 VAL 66 -1.070 3.531 -6.687 477 2HG1 VAL 66 2HG1 VAL 66 0.186 2.669 -5.799 478 3HG1 VAL 66 3HG1 VAL 66 0.558 3.410 -7.356 479 1HG2 VAL 66 1HG2 VAL 66 0.116 4.247 -3.679 480 2HG2 VAL 66 2HG2 VAL 66 -1.391 4.583 -4.530 481 3HG2 VAL 66 3HG2 VAL 66 -0.341 5.913 -4.039 482 H LYS 67 H LYS 67 4.112 3.680 -5.940 483 HA LYS 67 HA LYS 67 4.455 4.691 -8.663 484 1HB LYS 67 2HB LYS 67 6.246 3.982 -6.793 485 2HB LYS 67 1HB LYS 67 6.111 2.434 -7.628 486 1HG LYS 67 2HG LYS 67 7.291 3.193 -9.394 487 2HG LYS 67 1HG LYS 67 6.290 4.640 -9.516 488 1HD LYS 67 2HD LYS 67 7.885 5.896 -8.544 489 2HD LYS 67 1HD LYS 67 7.979 4.791 -7.172 490 1HE LYS 67 2HE LYS 67 10.145 4.980 -8.397 491 2HE LYS 67 1HE LYS 67 9.507 3.335 -8.399 492 1HZ LYS 67 1HZ LYS 67 8.427 4.657 -10.597 493 2HZ LYS 67 2HZ LYS 67 9.551 3.383 -10.596 494 3HZ LYS 67 3HZ LYS 67 10.088 4.994 -10.594 495 H ALA 68 H ALA 68 2.572 2.297 -7.348 496 HA ALA 68 HA ALA 68 2.552 0.823 -9.945 497 1HB ALA 68 1HB ALA 68 1.835 -1.114 -8.130 498 2HB ALA 68 2HB ALA 68 3.084 -0.235 -7.247 499 3HB ALA 68 3HB ALA 68 3.448 -0.940 -8.822 500 H VAL 69 H VAL 69 0.507 0.692 -10.768 501 HA VAL 69 HA VAL 69 -1.777 1.000 -8.864 502 HB VAL 69 HB VAL 69 -1.624 2.248 -11.624 503 1HG1 VAL 69 1HG1 VAL 69 -3.882 2.151 -11.245 504 2HG1 VAL 69 2HG1 VAL 69 -3.550 3.578 -10.264 505 3HG1 VAL 69 3HG1 VAL 69 -3.686 1.995 -9.499 506 1HG2 VAL 69 1HG2 VAL 69 -0.887 4.218 -10.689 507 2HG2 VAL 69 2HG2 VAL 69 -0.146 3.106 -9.538 508 3HG2 VAL 69 3HG2 VAL 69 -1.671 3.898 -9.142 509 H ILE 70 H ILE 70 -2.374 -1.181 -8.939 510 HA ILE 70 HA ILE 70 -2.718 -2.475 -11.577 511 HB ILE 70 HB ILE 70 -3.117 -3.501 -8.749 512 1HG1 ILE 70 2HG1 ILE 70 -1.076 -4.670 -10.535 513 2HG1 ILE 70 1HG1 ILE 70 -0.771 -2.993 -10.081 514 1HG2 ILE 70 1HG2 ILE 70 -4.385 -4.474 -10.948 515 2HG2 ILE 70 2HG2 ILE 70 -3.875 -5.484 -9.596 516 3HG2 ILE 70 3HG2 ILE 70 -2.867 -5.368 -11.040 517 1HD1 ILE 70 1HD1 ILE 70 -0.723 -5.432 -8.415 518 2HD1 ILE 70 2HD1 ILE 70 -1.536 -4.051 -7.680 519 3HD1 ILE 70 3HD1 ILE 70 0.142 -3.909 -8.207 520 H ALA 71 H ALA 71 -4.587 -1.913 -12.606 521 HA ALA 71 HA ALA 71 -7.128 -2.190 -11.093 522 1HB ALA 71 1HB ALA 71 -7.021 0.122 -10.917 523 2HB ALA 71 2HB ALA 71 -7.836 -0.043 -12.473 524 3HB ALA 71 3HB ALA 71 -6.106 0.297 -12.415 525 H SER 72 H SER 72 -9.005 -1.875 -12.793 526 HA SER 72 HA SER 72 -8.189 -3.093 -15.394 527 1HB SER 72 2HB SER 72 -10.446 -3.999 -13.585 528 2HB SER 72 1HB SER 72 -10.226 -4.550 -15.243 529 HG SER 72 HG SER 72 -9.131 -5.541 -13.096 530 H SER 73 H SER 73 -8.770 -0.354 -14.952 531 HA SER 73 HA SER 73 -11.439 0.445 -15.326 532 1HB SER 73 2HB SER 73 -10.537 2.507 -15.628 533 2HB SER 73 1HB SER 73 -8.999 1.724 -15.280 534 HG SER 73 HG SER 73 -9.452 2.985 -17.396 535 HA PRO 74 HA PRO 74 -12.361 -1.114 -19.346 536 1HB PRO 74 2HB PRO 74 -14.645 0.358 -19.761 537 2HB PRO 74 1HB PRO 74 -14.571 -1.054 -18.694 538 1HG PRO 74 2HG PRO 74 -14.709 1.835 -17.975 539 2HG PRO 74 1HG PRO 74 -15.236 0.422 -17.047 540 1HD PRO 74 2HD PRO 74 -12.848 1.892 -16.632 541 2HD PRO 74 1HD PRO 74 -13.243 0.310 -15.924 542 H GLY 75 H GLY 75 -10.521 -0.083 -20.458 543 1HA GLY 75 2HA GLY 75 -10.472 1.175 -22.659 544 2HA GLY 75 1HA GLY 75 -11.259 2.493 -21.790 545 HA PRO 76 HA PRO 76 -6.550 2.704 -21.414 546 1HB PRO 76 2HB PRO 76 -6.004 4.406 -23.501 547 2HB PRO 76 1HB PRO 76 -5.957 2.640 -23.642 548 1HG PRO 76 2HG PRO 76 -8.008 4.550 -24.659 549 2HG PRO 76 1HG PRO 76 -7.573 2.944 -25.267 550 1HD PRO 76 2HD PRO 76 -9.836 3.565 -23.680 551 2HD PRO 76 1HD PRO 76 -9.214 1.936 -24.025 552 H ASN 77 H ASN 77 -9.228 4.541 -21.070 553 HA ASN 77 HA ASN 77 -8.399 7.237 -21.010 554 1HB ASN 77 2HB ASN 77 -10.537 5.636 -19.774 555 2HB ASN 77 1HB ASN 77 -10.080 7.059 -18.838 556 1HD2 ASN 77 1HD2 ASN 77 -11.052 8.984 -19.492 557 2HD2 ASN 77 2HD2 ASN 77 -11.736 9.257 -21.022 558 H ALA 78 H ALA 78 -8.628 5.137 -18.112 559 HA ALA 78 HA ALA 78 -7.053 6.832 -16.459 560 1HB ALA 78 1HB ALA 78 -8.404 4.393 -16.166 561 2HB ALA 78 2HB ALA 78 -7.565 5.287 -14.898 562 3HB ALA 78 3HB ALA 78 -6.721 4.022 -15.791 563 H PHE 79 H PHE 79 -6.079 3.868 -18.224 564 HA PHE 79 HA PHE 79 -3.331 3.969 -17.540 565 1HB PHE 79 2HB PHE 79 -4.505 3.006 -20.165 566 2HB PHE 79 1HB PHE 79 -2.959 2.528 -19.466 567 HD1 PHE 79 HD1 PHE 79 -5.254 0.641 -20.221 568 HD2 PHE 79 HD2 PHE 79 -4.213 2.596 -16.536 569 HE1 PHE 79 HE1 PHE 79 -6.388 -1.159 -18.945 570 HE2 PHE 79 HE2 PHE 79 -5.346 0.795 -15.261 571 HZ PHE 79 HZ PHE 79 -6.434 -1.082 -16.464 572 H GLU 80 H GLU 80 -5.159 6.059 -19.554 573 HA GLU 80 HA GLU 80 -3.000 6.887 -21.303 574 1HB GLU 80 2HB GLU 80 -5.356 7.262 -21.914 575 2HB GLU 80 1HB GLU 80 -5.553 8.328 -20.523 576 1HG GLU 80 2HG GLU 80 -3.669 9.741 -21.474 577 2HG GLU 80 1HG GLU 80 -3.788 8.768 -22.942 578 H VAL 81 H VAL 81 -4.494 8.337 -18.393 579 HA VAL 81 HA VAL 81 -2.533 10.462 -18.235 580 HB VAL 81 HB VAL 81 -4.093 9.446 -15.866 581 1HG1 VAL 81 1HG1 VAL 81 -3.883 11.622 -15.089 582 2HG1 VAL 81 2HG1 VAL 81 -3.794 12.304 -16.714 583 3HG1 VAL 81 3HG1 VAL 81 -2.394 11.481 -16.025 584 1HG2 VAL 81 1HG2 VAL 81 -6.046 9.726 -16.955 585 2HG2 VAL 81 2HG2 VAL 81 -5.188 10.180 -18.428 586 3HG2 VAL 81 3HG2 VAL 81 -5.614 11.412 -17.241 587 H LEU 82 H LEU 82 -3.017 7.478 -16.305 588 HA LEU 82 HA LEU 82 -0.806 7.620 -14.632 589 1HB LEU 82 2HB LEU 82 -2.185 5.332 -15.994 590 2HB LEU 82 1HB LEU 82 -0.685 5.015 -15.123 591 HG LEU 82 HG LEU 82 -2.647 4.707 -13.654 592 1HD1 LEU 82 1HD1 LEU 82 -0.338 6.015 -13.058 593 2HD1 LEU 82 2HD1 LEU 82 -1.575 5.630 -11.861 594 3HD1 LEU 82 3HD1 LEU 82 -1.523 7.235 -12.592 595 1HD2 LEU 82 1HD2 LEU 82 -3.145 7.616 -14.357 596 2HD2 LEU 82 2HD2 LEU 82 -3.942 6.779 -13.025 597 3HD2 LEU 82 3HD2 LEU 82 -4.209 6.248 -14.685 598 H ASN 83 H ASN 83 -0.867 6.996 -18.085 599 HA ASN 83 HA ASN 83 1.923 6.164 -18.229 600 1HB ASN 83 2HB ASN 83 -0.313 6.575 -20.098 601 2HB ASN 83 1HB ASN 83 1.259 7.015 -20.764 602 1HD2 ASN 83 1HD2 ASN 83 -0.665 4.524 -21.045 603 2HD2 ASN 83 2HD2 ASN 83 0.406 3.215 -20.896 604 H GLU 84 H GLU 84 0.143 9.159 -19.037 605 HA GLU 84 HA GLU 84 2.506 10.636 -19.771 606 1HB GLU 84 2HB GLU 84 -0.055 11.142 -20.185 607 2HB GLU 84 1HB GLU 84 0.079 11.995 -18.646 608 1HG GLU 84 2HG GLU 84 0.525 13.503 -20.563 609 2HG GLU 84 1HG GLU 84 1.945 13.330 -19.530 610 H LEU 85 H LEU 85 1.429 9.513 -16.780 611 HA LEU 85 HA LEU 85 2.492 11.768 -15.214 612 1HB LEU 85 2HB LEU 85 0.953 9.308 -14.676 613 2HB LEU 85 1HB LEU 85 2.121 9.727 -13.422 614 HG LEU 85 HG LEU 85 1.152 11.895 -13.115 615 1HD1 LEU 85 1HD1 LEU 85 0.762 12.510 -15.426 616 2HD1 LEU 85 2HD1 LEU 85 -0.770 12.637 -14.561 617 3HD1 LEU 85 3HD1 LEU 85 -0.456 11.247 -15.601 618 1HD2 LEU 85 1HD2 LEU 85 -0.608 9.520 -13.156 619 2HD2 LEU 85 2HD2 LEU 85 -1.457 11.066 -13.121 620 3HD2 LEU 85 3HD2 LEU 85 -0.297 10.668 -11.854 621 H GLY 86 H GLY 86 3.335 8.334 -15.760 622 1HA GLY 86 2HA GLY 86 5.757 7.862 -16.197 623 2HA GLY 86 1HA GLY 86 6.124 9.033 -14.928 624 H ILE 87 H ILE 87 3.382 7.190 -14.182 625 HA ILE 87 HA ILE 87 4.933 5.700 -12.150 626 HB ILE 87 HB ILE 87 1.961 5.455 -12.409 627 1HG1 ILE 87 2HG1 ILE 87 3.432 7.924 -11.430 628 2HG1 ILE 87 1HG1 ILE 87 2.311 7.841 -12.790 629 1HG2 ILE 87 1HG2 ILE 87 3.935 4.770 -10.530 630 2HG2 ILE 87 2HG2 ILE 87 2.188 4.693 -10.301 631 3HG2 ILE 87 3HG2 ILE 87 3.079 6.138 -9.820 632 1HD1 ILE 87 1HD1 ILE 87 1.732 8.142 -9.962 633 2HD1 ILE 87 2HD1 ILE 87 0.905 6.733 -10.628 634 3HD1 ILE 87 3HD1 ILE 87 0.653 8.325 -11.345 635 H LYS 88 H LYS 88 4.084 3.358 -11.772 636 HA LYS 88 HA LYS 88 4.305 1.958 -14.365 637 1HB LYS 88 2HB LYS 88 4.074 0.619 -11.674 638 2HB LYS 88 1HB LYS 88 4.892 0.042 -13.125 639 1HG LYS 88 2HG LYS 88 6.063 2.543 -12.442 640 2HG LYS 88 1HG LYS 88 5.980 1.585 -10.965 641 1HD LYS 88 2HD LYS 88 6.828 0.021 -13.293 642 2HD LYS 88 1HD LYS 88 7.929 1.346 -12.915 643 1HE LYS 88 2HE LYS 88 8.678 -0.522 -11.620 644 2HE LYS 88 1HE LYS 88 7.850 0.552 -10.493 645 1HZ LYS 88 1HZ LYS 88 7.108 -1.675 -10.129 646 2HZ LYS 88 2HZ LYS 88 6.736 -1.883 -11.774 647 3HZ LYS 88 3HZ LYS 88 5.832 -0.802 -10.825 648 H ILE 89 H ILE 89 2.431 1.527 -15.428 649 HA ILE 89 HA ILE 89 -0.117 1.387 -13.975 650 HB ILE 89 HB ILE 89 0.655 1.152 -16.891 651 1HG1 ILE 89 2HG1 ILE 89 -1.390 3.062 -15.927 652 2HG1 ILE 89 1HG1 ILE 89 0.239 3.342 -15.312 653 1HG2 ILE 89 1HG2 ILE 89 -1.173 -0.411 -16.571 654 2HG2 ILE 89 2HG2 ILE 89 -1.820 1.045 -17.327 655 3HG2 ILE 89 3HG2 ILE 89 -2.063 0.764 -15.603 656 1HD1 ILE 89 1HD1 ILE 89 -0.710 3.312 -18.172 657 2HD1 ILE 89 2HD1 ILE 89 0.988 3.045 -17.781 658 3HD1 ILE 89 3HD1 ILE 89 0.208 4.560 -17.328 659 H TYR 90 H TYR 90 -1.438 -0.522 -13.880 660 HA TYR 90 HA TYR 90 -0.112 -3.062 -14.682 661 1HB TYR 90 2HB TYR 90 -0.451 -2.106 -11.970 662 2HB TYR 90 1HB TYR 90 -1.361 -3.597 -12.214 663 HD1 TYR 90 HD1 TYR 90 -0.190 -5.624 -13.155 664 HD2 TYR 90 HD2 TYR 90 1.935 -2.112 -11.889 665 HE1 TYR 90 HE1 TYR 90 1.917 -6.930 -13.072 666 HE2 TYR 90 HE2 TYR 90 4.044 -3.417 -11.805 667 HH TYR 90 HH TYR 90 4.887 -5.623 -13.046 668 H ARG 91 H ARG 91 -1.591 -4.755 -15.121 669 HA ARG 91 HA ARG 91 -4.422 -3.839 -15.375 670 1HB ARG 91 2HB ARG 91 -2.979 -6.099 -16.798 671 2HB ARG 91 1HB ARG 91 -4.633 -5.570 -17.108 672 1HG ARG 91 2HG ARG 91 -2.638 -3.403 -17.203 673 2HG ARG 91 1HG ARG 91 -2.429 -4.633 -18.450 674 1HD ARG 91 2HD ARG 91 -5.227 -3.816 -18.035 675 2HD ARG 91 1HD ARG 91 -4.182 -2.523 -18.622 676 HE ARG 91 HE ARG 91 -3.756 -3.829 -20.617 677 1HH1 ARG 91 1HH2 ARG 91 -6.783 -4.047 -20.221 678 2HH1 ARG 91 2HH2 ARG 91 -7.030 -5.737 -20.508 679 1HH2 ARG 91 2HH1 ARG 91 -3.677 -6.554 -20.179 680 2HH2 ARG 91 1HH1 ARG 91 -5.271 -7.157 -20.485 681 H ALA 92 H ALA 92 -6.066 -5.041 -14.426 682 HA ALA 92 HA ALA 92 -5.169 -7.308 -12.694 683 1HB ALA 92 1HB ALA 92 -7.799 -6.374 -12.020 684 2HB ALA 92 2HB ALA 92 -6.716 -4.988 -12.132 685 3HB ALA 92 3HB ALA 92 -6.332 -6.319 -11.041 686 H THR 93 H THR 93 -5.425 -8.905 -14.374 687 HA THR 93 HA THR 93 -7.622 -9.264 -16.071 688 HB THR 93 HB THR 93 -6.984 -11.856 -15.213 689 HG1 THR 93 HG1 THR 93 -4.584 -11.512 -15.321 690 1HG2 THR 93 1HG2 THR 93 -5.286 -11.538 -17.241 691 2HG2 THR 93 2HG2 THR 93 -6.169 -10.023 -17.427 692 3HG2 THR 93 3HG2 THR 93 -7.030 -11.560 -17.502 693 H GLY 94 H GLY 94 -7.290 -10.210 -12.663 694 1HA GLY 94 2HA GLY 94 -9.512 -9.896 -11.413 695 2HA GLY 94 1HA GLY 94 -10.194 -10.923 -12.675 696 H THR 95 H THR 95 -8.972 -10.975 -9.580 697 HA THR 95 HA THR 95 -8.955 -13.886 -9.518 698 HB THR 95 HB THR 95 -6.393 -12.961 -8.445 699 HG1 THR 95 HG1 THR 95 -6.488 -13.082 -11.233 700 1HG2 THR 95 1HG2 THR 95 -5.886 -14.892 -10.314 701 2HG2 THR 95 2HG2 THR 95 -7.570 -15.230 -9.917 702 3HG2 THR 95 3HG2 THR 95 -6.349 -15.224 -8.645 703 H SER 96 H SER 96 -7.340 -11.323 -7.612 704 HA SER 96 HA SER 96 -9.264 -11.030 -5.591 705 1HB SER 96 2HB SER 96 -8.168 -13.628 -5.518 706 2HB SER 96 1HB SER 96 -7.398 -12.753 -4.198 707 HG SER 96 HG SER 96 -9.617 -13.820 -3.945 708 H VAL 97 H VAL 97 -8.388 -9.872 -3.719 709 HA VAL 97 HA VAL 97 -6.066 -8.275 -4.423 710 HB VAL 97 HB VAL 97 -7.231 -8.300 -1.658 711 1HG1 VAL 97 1HG1 VAL 97 -5.356 -6.762 -2.581 712 2HG1 VAL 97 2HG1 VAL 97 -6.683 -6.007 -1.698 713 3HG1 VAL 97 3HG1 VAL 97 -6.652 -5.954 -3.462 714 1HG2 VAL 97 1HG2 VAL 97 -8.616 -7.469 -4.208 715 2HG2 VAL 97 2HG2 VAL 97 -8.992 -6.684 -2.674 716 3HG2 VAL 97 3HG2 VAL 97 -9.259 -8.417 -2.867 717 H GLU 98 H GLU 98 -6.738 -10.667 -1.852 718 HA GLU 98 HA GLU 98 -4.269 -10.619 -0.534 719 1HB GLU 98 2HB GLU 98 -6.193 -12.870 -1.116 720 2HB GLU 98 1HB GLU 98 -4.722 -13.143 -0.183 721 1HG GLU 98 2HG GLU 98 -5.623 -12.193 1.652 722 2HG GLU 98 1HG GLU 98 -6.113 -10.765 0.740 723 H GLU 99 H GLU 99 -5.142 -12.626 -3.371 724 HA GLU 99 HA GLU 99 -2.475 -13.695 -3.664 725 1HB GLU 99 2HB GLU 99 -4.880 -13.564 -5.488 726 2HB GLU 99 1HB GLU 99 -3.353 -14.279 -6.008 727 1HG GLU 99 2HG GLU 99 -4.640 -15.123 -3.417 728 2HG GLU 99 1HG GLU 99 -5.140 -15.843 -4.948 729 H ASN 100 H ASN 100 -4.165 -10.904 -5.039 730 HA ASN 100 HA ASN 100 -2.338 -10.235 -7.089 731 1HB ASN 100 2HB ASN 100 -4.613 -9.121 -6.303 732 2HB ASN 100 1HB ASN 100 -3.526 -8.055 -5.412 733 1HD2 ASN 100 1HD2 ASN 100 -2.779 -6.288 -6.591 734 2HD2 ASN 100 2HD2 ASN 100 -2.704 -6.207 -8.285 735 H LEU 101 H LEU 101 -2.209 -9.522 -3.611 736 HA LEU 101 HA LEU 101 0.012 -7.761 -3.638 737 1HB LEU 101 2HB LEU 101 -0.759 -9.830 -1.557 738 2HB LEU 101 1HB LEU 101 0.381 -8.508 -1.296 739 HG LEU 101 HG LEU 101 -2.551 -8.226 -2.019 740 1HD1 LEU 101 1HD1 LEU 101 -2.552 -8.674 0.263 741 2HD1 LEU 101 2HD1 LEU 101 -2.348 -6.923 0.274 742 3HD1 LEU 101 3HD1 LEU 101 -0.951 -7.976 0.504 743 1HD2 LEU 101 1HD2 LEU 101 -1.964 -6.201 -2.821 744 2HD2 LEU 101 2HD2 LEU 101 -0.289 -6.436 -2.325 745 3HD2 LEU 101 3HD2 LEU 101 -1.459 -5.768 -1.188 746 H LYS 102 H LYS 102 0.125 -11.262 -2.862 747 HA LYS 102 HA LYS 102 2.965 -11.450 -3.106 748 1HB LYS 102 2HB LYS 102 1.433 -13.132 -1.992 749 2HB LYS 102 1HB LYS 102 0.980 -13.681 -3.606 750 1HG LYS 102 2HG LYS 102 3.379 -14.134 -4.094 751 2HG LYS 102 1HG LYS 102 3.778 -13.674 -2.438 752 1HD LYS 102 2HD LYS 102 3.557 -15.959 -2.160 753 2HD LYS 102 1HD LYS 102 1.891 -15.463 -1.866 754 1HE LYS 102 2HE LYS 102 1.185 -16.641 -3.648 755 2HE LYS 102 1HE LYS 102 2.306 -15.774 -4.699 756 1HZ LYS 102 1HZ LYS 102 2.808 -18.102 -4.753 757 2HZ LYS 102 2HZ LYS 102 2.911 -18.174 -3.058 758 3HZ LYS 102 3HZ LYS 102 4.064 -17.298 -3.946 759 H LEU 103 H LEU 103 0.526 -11.137 -5.485 760 HA LEU 103 HA LEU 103 1.934 -12.539 -7.617 761 1HB LEU 103 2HB LEU 103 -0.612 -11.255 -7.265 762 2HB LEU 103 1HB LEU 103 0.166 -10.599 -8.706 763 HG LEU 103 HG LEU 103 0.469 -12.807 -9.634 764 1HD1 LEU 103 1HD1 LEU 103 0.130 -13.578 -6.849 765 2HD1 LEU 103 2HD1 LEU 103 0.842 -14.490 -8.179 766 3HD1 LEU 103 3HD1 LEU 103 -0.900 -14.540 -7.910 767 1HD2 LEU 103 1HD2 LEU 103 -1.829 -13.463 -9.959 768 2HD2 LEU 103 2HD2 LEU 103 -1.814 -11.709 -9.777 769 3HD2 LEU 103 3HD2 LEU 103 -2.311 -12.732 -8.429 770 H PHE 104 H PHE 104 1.787 -9.217 -6.426 771 HA PHE 104 HA PHE 104 3.217 -8.093 -8.688 772 1HB PHE 104 2HB PHE 104 1.791 -6.676 -7.294 773 2HB PHE 104 1HB PHE 104 2.783 -7.031 -5.880 774 HD1 PHE 104 HD1 PHE 104 4.928 -5.981 -5.548 775 HD2 PHE 104 HD2 PHE 104 2.711 -5.333 -9.172 776 HE1 PHE 104 HE1 PHE 104 6.457 -4.123 -6.152 777 HE2 PHE 104 HE2 PHE 104 4.240 -3.475 -9.776 778 HZ PHE 104 HZ PHE 104 6.114 -2.870 -8.266 779 H THR 105 H THR 105 4.143 -9.679 -5.727 780 HA THR 105 HA THR 105 6.857 -8.669 -5.652 781 HB THR 105 HB THR 105 5.741 -11.235 -4.479 782 HG1 THR 105 HG1 THR 105 5.914 -9.612 -2.583 783 1HG2 THR 105 1HG2 THR 105 8.200 -11.147 -4.570 784 2HG2 THR 105 2HG2 THR 105 7.630 -11.008 -2.908 785 3HG2 THR 105 3HG2 THR 105 8.177 -9.573 -3.776 786 H GLU 106 H GLU 106 5.233 -11.159 -7.447 787 HA GLU 106 HA GLU 106 7.854 -12.293 -8.305 788 1HB GLU 106 2HB GLU 106 5.082 -13.347 -8.920 789 2HB GLU 106 1HB GLU 106 6.617 -14.194 -9.114 790 1HG GLU 106 2HG GLU 106 6.976 -14.168 -6.696 791 2HG GLU 106 1HG GLU 106 5.497 -13.235 -6.464 792 H GLY 107 H GLY 107 5.933 -9.827 -9.202 793 1HA GLY 107 2HA GLY 107 5.587 -8.685 -11.224 794 2HA GLY 107 1HA GLY 107 7.044 -9.508 -11.784 795 H ASN 108 H ASN 108 3.968 -10.989 -10.791 796 HA ASN 108 HA ASN 108 3.939 -12.582 -13.244 797 1HB ASN 108 2HB ASN 108 3.160 -13.373 -10.942 798 2HB ASN 108 1HB ASN 108 1.729 -12.370 -11.188 799 1HD2 ASN 108 1HD2 ASN 108 3.592 -14.547 -13.392 800 2HD2 ASN 108 2HD2 ASN 108 2.237 -15.442 -13.885 801 H LEU 109 H LEU 109 1.754 -10.137 -11.803 802 HA LEU 109 HA LEU 109 -0.065 -9.977 -13.961 803 1HB LEU 109 2HB LEU 109 0.818 -8.052 -11.831 804 2HB LEU 109 1HB LEU 109 -0.238 -7.486 -13.126 805 HG LEU 109 HG LEU 109 -0.783 -9.811 -11.258 806 1HD1 LEU 109 1HD1 LEU 109 -1.225 -7.809 -10.073 807 2HD1 LEU 109 2HD1 LEU 109 -2.795 -8.274 -10.731 808 3HD1 LEU 109 3HD1 LEU 109 -1.855 -6.999 -11.507 809 1HD2 LEU 109 1HD2 LEU 109 -3.113 -9.432 -12.519 810 2HD2 LEU 109 2HD2 LEU 109 -1.877 -10.509 -13.172 811 3HD2 LEU 109 3HD2 LEU 109 -2.041 -8.869 -13.801 812 H GLU 110 H GLU 110 -0.199 -7.788 -15.310 813 HA GLU 110 HA GLU 110 2.465 -7.471 -16.624 814 1HB GLU 110 2HB GLU 110 1.279 -6.960 -18.663 815 2HB GLU 110 1HB GLU 110 0.559 -8.423 -17.990 816 1HG GLU 110 2HG GLU 110 -1.099 -6.814 -16.812 817 2HG GLU 110 1HG GLU 110 -0.538 -5.616 -17.980 818 H GLU 111 H GLU 111 3.171 -5.345 -17.146 819 HA GLU 111 HA GLU 111 1.535 -3.124 -16.010 820 1HB GLU 111 2HB GLU 111 3.425 -2.180 -14.890 821 2HB GLU 111 1HB GLU 111 3.409 -3.888 -14.451 822 1HG GLU 111 2HG GLU 111 4.932 -4.103 -16.621 823 2HG GLU 111 1HG GLU 111 5.284 -2.414 -16.254 824 H ILE 112 H ILE 112 2.021 -1.035 -16.972 825 HA ILE 112 HA ILE 112 3.630 -1.157 -19.480 826 HB ILE 112 HB ILE 112 0.839 0.004 -19.205 827 1HG1 ILE 112 2HG1 ILE 112 1.753 -2.182 -21.078 828 2HG1 ILE 112 1HG1 ILE 112 1.200 -2.554 -19.445 829 1HG2 ILE 112 1HG2 ILE 112 1.138 0.358 -21.702 830 2HG2 ILE 112 2HG2 ILE 112 2.853 0.020 -21.468 831 3HG2 ILE 112 3HG2 ILE 112 2.112 1.413 -20.679 832 1HD1 ILE 112 1HD1 ILE 112 -0.817 -2.691 -20.564 833 2HD1 ILE 112 2HD1 ILE 112 -0.344 -1.501 -21.776 834 3HD1 ILE 112 3HD1 ILE 112 -0.825 -0.973 -20.164 835 H ARG 113 H ARG 113 4.714 0.791 -19.945 836 HA ARG 113 HA ARG 113 4.170 3.100 -18.145 837 1HB ARG 113 2HB ARG 113 6.631 3.361 -17.788 838 2HB ARG 113 1HB ARG 113 5.988 1.880 -17.076 839 1HG ARG 113 2HG ARG 113 6.783 0.562 -18.948 840 2HG ARG 113 1HG ARG 113 7.269 2.017 -19.819 841 1HD ARG 113 2HD ARG 113 9.245 2.086 -18.740 842 2HD ARG 113 1HD ARG 113 8.450 1.966 -17.171 843 HE ARG 113 HE ARG 113 8.822 -0.518 -18.765 844 1HH1 ARG 113 2HH1 ARG 113 8.432 0.777 -15.717 845 2HH1 ARG 113 1HH1 ARG 113 9.671 -0.164 -14.955 846 1HH2 ARG 113 1HH2 ARG 113 10.903 -1.442 -17.933 847 2HH2 ARG 113 2HH2 ARG 113 11.071 -1.419 -16.210 848 H SER 114 H SER 114 6.046 4.849 -18.946 849 HA SER 114 HA SER 114 6.333 4.844 -21.867 850 1HB SER 114 2HB SER 114 4.060 5.670 -21.714 851 2HB SER 114 1HB SER 114 4.509 6.802 -20.442 852 HG SER 114 HG SER 114 4.850 8.113 -22.050 853 HA PRO 115 HA PRO 115 9.688 7.069 -19.753 854 1HB PRO 115 2HB PRO 115 11.627 6.158 -21.477 855 2HB PRO 115 1HB PRO 115 11.081 5.257 -20.053 856 1HG PRO 115 2HG PRO 115 10.476 4.765 -22.933 857 2HG PRO 115 1HG PRO 115 10.518 3.617 -21.583 858 1HD PRO 115 2HD PRO 115 8.185 4.722 -22.741 859 2HD PRO 115 1HD PRO 115 8.271 3.858 -21.190 860 H GLY 116 H GLY 116 10.866 8.947 -20.458 861 1HA GLY 116 2HA GLY 116 10.279 9.846 -23.248 862 2HA GLY 116 1HA GLY 116 10.077 10.940 -21.878 863 H SER 117 H SER 117 12.679 8.697 -21.659 864 HA SER 117 HA SER 117 14.608 10.785 -22.577 865 1HB SER 117 2HB SER 117 16.042 9.875 -20.586 866 2HB SER 117 1HB SER 117 14.775 11.054 -20.256 867 HG SER 117 HG SER 117 14.124 8.330 -20.262 868 H GLY 118 H GLY 118 14.163 8.970 -24.389 869 1HA GLY 118 2HA GLY 118 16.253 6.864 -23.994 870 2HA GLY 118 1HA GLY 118 14.797 6.595 -24.953 871 H ARG 119 H ARG 119 17.198 6.153 -26.184 872 HA ARG 119 HA ARG 119 18.542 6.811 -27.997 873 1HB ARG 119 2HB ARG 119 15.847 7.233 -28.614 874 2HB ARG 119 1HB ARG 119 16.651 8.721 -29.116 875 1HG ARG 119 2HG ARG 119 16.834 7.317 -31.008 876 2HG ARG 119 1HG ARG 119 18.403 7.164 -30.216 877 1HD ARG 119 2HD ARG 119 18.086 4.964 -29.853 878 2HD ARG 119 1HD ARG 119 16.507 5.258 -29.125 879 HE ARG 119 HE ARG 119 16.221 5.541 -31.935 880 1HH1 ARG 119 2HH1 ARG 119 18.145 3.136 -31.506 881 2HH1 ARG 119 1HH1 ARG 119 17.011 1.828 -31.560 882 1HH2 ARG 119 1HH2 ARG 119 14.235 3.870 -31.168 883 2HH2 ARG 119 2HH2 ARG 119 14.797 2.243 -31.370 884 H GLY 120 H GLY 120 20.098 8.030 -26.778 885 1HA GLY 120 2HA GLY 120 19.647 10.853 -26.204 886 2HA GLY 120 1HA GLY 120 21.177 9.992 -26.020 887 H ARG 121 H ARG 121 19.412 12.148 -27.995 888 HA ARG 121 HA ARG 121 21.515 11.917 -30.113 889 1HB ARG 121 2HB ARG 121 19.649 13.027 -31.561 890 2HB ARG 121 1HB ARG 121 19.533 11.299 -31.218 891 1HG ARG 121 2HG ARG 121 17.722 11.555 -29.851 892 2HG ARG 121 1HG ARG 121 18.304 13.087 -29.199 893 1HD ARG 121 2HD ARG 121 17.791 13.652 -31.881 894 2HD ARG 121 1HD ARG 121 16.458 12.601 -31.404 895 HE ARG 121 HE ARG 121 16.418 15.252 -30.781 896 1HH1 ARG 121 1HH2 ARG 121 14.671 13.124 -29.427 897 2HH1 ARG 121 2HH2 ARG 121 14.970 13.474 -27.758 898 1HH2 ARG 121 2HH1 ARG 121 17.779 15.406 -28.391 899 2HH2 ARG 121 1HH1 ARG 121 16.730 14.765 -27.171 900 H ARG 122 H ARG 122 22.693 13.490 -28.686 901 HA ARG 122 HA ARG 122 21.533 16.177 -28.445 902 1HB ARG 122 2HB ARG 122 23.664 16.758 -27.370 903 2HB ARG 122 1HB ARG 122 23.023 15.267 -26.681 904 1HG ARG 122 2HG ARG 122 24.666 13.960 -27.623 905 2HG ARG 122 1HG ARG 122 24.836 15.006 -29.033 906 1HD ARG 122 2HD ARG 122 26.412 16.306 -28.033 907 2HD ARG 122 1HD ARG 122 25.585 16.273 -26.476 908 HE ARG 122 HE ARG 122 27.193 14.663 -25.890 909 1HH1 ARG 122 2HH1 ARG 122 27.705 14.988 -29.125 910 2HH1 ARG 122 1HH1 ARG 122 28.050 13.321 -29.450 911 1HH2 ARG 122 1HH2 ARG 122 27.022 12.226 -26.323 912 2HH2 ARG 122 2HH2 ARG 122 27.663 11.757 -27.863 913 H ARG 123 H ARG 123 22.341 18.036 -29.560 914 HA ARG 123 HA ARG 123 23.450 17.399 -32.223 915 1HB ARG 123 2HB ARG 123 21.956 19.647 -30.999 916 2HB ARG 123 1HB ARG 123 23.134 20.100 -32.232 917 1HG ARG 123 2HG ARG 123 21.979 19.055 -33.916 918 2HG ARG 123 1HG ARG 123 21.395 17.770 -32.857 919 1HD ARG 123 2HD ARG 123 20.043 19.774 -31.749 920 2HD ARG 123 1HD ARG 123 20.250 20.489 -33.348 921 HE ARG 123 HE ARG 123 18.972 17.812 -32.940 922 1HH1 ARG 123 2HH1 ARG 123 19.663 18.662 -35.731 923 2HH1 ARG 123 1HH1 ARG 123 18.184 19.389 -36.265 924 1HH2 ARG 123 1HH2 ARG 123 16.881 19.715 -33.068 925 2HH2 ARG 123 2HH2 ARG 123 16.609 19.984 -34.757 926 H ARG 124 HN ARG 124 25.653 17.188 -32.207 927 HA ARG 124 HA ARG 124 27.418 19.321 -32.004 928 1HB ARG 124 2HB ARG 124 26.594 18.321 -29.366 929 2HB ARG 124 1HB ARG 124 28.344 18.354 -29.589 930 1HG ARG 124 2HG ARG 124 27.043 20.756 -30.634 931 2HG ARG 124 1HG ARG 124 26.759 20.532 -28.908 932 1HD ARG 124 2HD ARG 124 28.903 21.023 -28.393 933 2HD ARG 124 1HD ARG 124 29.525 19.959 -29.655 934 HE ARG 124 HE ARG 124 28.473 22.283 -30.911 935 1HH1 ARG 124 1HH2 ARG 124 30.157 22.831 -28.213 936 2HH1 ARG 124 2HH2 ARG 124 31.619 23.392 -28.951 937 1HH2 ARG 124 1HH1 ARG 124 30.729 22.343 -32.134 938 2HH2 ARG 124 2HH1 ARG 124 31.944 23.114 -31.170 Start of MODEL 2 1 1H MET 1 1H MET 1 7.689 2.340 -3.644 2 2H MET 1 2H MET 1 7.902 3.162 -5.115 3 3H MET 1 3H MET 1 9.098 2.093 -4.555 4 HA MET 1 HA MET 1 7.079 1.493 -6.299 5 1HB MET 1 2HB MET 1 9.402 0.348 -5.294 6 2HB MET 1 1HB MET 1 8.149 -0.803 -4.827 7 1HG MET 1 2HG MET 1 8.040 -1.556 -6.943 8 2HG MET 1 1HG MET 1 7.616 0.061 -7.504 9 1HE MET 1 1HE MET 1 9.013 -2.213 -8.900 10 2HE MET 1 2HE MET 1 10.553 -1.721 -9.601 11 3HE MET 1 3HE MET 1 9.106 -0.767 -9.917 12 H LYS 2 H LYS 2 5.315 2.438 -4.638 13 HA LYS 2 HA LYS 2 4.329 0.353 -2.794 14 1HB LYS 2 2HB LYS 2 3.047 3.010 -3.489 15 2HB LYS 2 1HB LYS 2 2.711 1.998 -2.084 16 1HG LYS 2 2HG LYS 2 4.499 2.793 -0.946 17 2HG LYS 2 1HG LYS 2 5.552 2.678 -2.358 18 1HD LYS 2 2HD LYS 2 5.217 4.850 -2.937 19 2HD LYS 2 1HD LYS 2 3.497 4.785 -2.550 20 1HE LYS 2 2HE LYS 2 5.453 4.672 -0.290 21 2HE LYS 2 1HE LYS 2 5.179 6.227 -1.075 22 1HZ LYS 2 1HZ LYS 2 3.655 5.930 0.752 23 2HZ LYS 2 2HZ LYS 2 3.096 4.464 0.100 24 3HZ LYS 2 3HZ LYS 2 2.795 5.927 -0.710 25 H ILE 3 H ILE 3 2.333 -0.735 -3.089 26 HA ILE 3 HA ILE 3 1.255 -0.589 -5.875 27 HB ILE 3 HB ILE 3 1.174 -2.950 -3.975 28 1HG1 ILE 3 2HG1 ILE 3 2.820 -3.087 -6.422 29 2HG1 ILE 3 1HG1 ILE 3 3.425 -1.967 -5.199 30 1HG2 ILE 3 1HG2 ILE 3 0.308 -2.456 -6.815 31 2HG2 ILE 3 2HG2 ILE 3 -0.575 -3.246 -5.509 32 3HG2 ILE 3 3HG2 ILE 3 0.765 -4.079 -6.297 33 1HD1 ILE 3 1HD1 ILE 3 3.241 -3.787 -3.499 34 2HD1 ILE 3 2HD1 ILE 3 4.370 -4.182 -4.795 35 3HD1 ILE 3 3HD1 ILE 3 2.758 -4.896 -4.781 36 H ALA 4 H ALA 4 -0.750 0.279 -5.957 37 HA ALA 4 HA ALA 4 -2.493 0.024 -3.540 38 1HB ALA 4 1HB ALA 4 -2.639 2.102 -5.747 39 2HB ALA 4 2HB ALA 4 -1.856 2.360 -4.187 40 3HB ALA 4 3HB ALA 4 -3.595 2.076 -4.266 41 H ILE 5 H ILE 5 -3.939 -1.601 -3.892 42 HA ILE 5 HA ILE 5 -4.892 -2.084 -6.665 43 HB ILE 5 HB ILE 5 -5.645 -3.781 -4.302 44 1HG1 ILE 5 2HG1 ILE 5 -3.383 -4.974 -5.394 45 2HG1 ILE 5 1HG1 ILE 5 -2.939 -3.270 -5.303 46 1HG2 ILE 5 1HG2 ILE 5 -6.388 -3.975 -6.840 47 2HG2 ILE 5 2HG2 ILE 5 -6.011 -5.421 -5.904 48 3HG2 ILE 5 3HG2 ILE 5 -4.813 -4.751 -7.013 49 1HD1 ILE 5 1HD1 ILE 5 -3.421 -5.207 -3.128 50 2HD1 ILE 5 2HD1 ILE 5 -4.167 -3.628 -2.884 51 3HD1 ILE 5 3HD1 ILE 5 -2.427 -3.750 -3.139 52 H ALA 6 H ALA 6 -6.871 -1.374 -7.281 53 HA ALA 6 HA ALA 6 -8.599 -0.004 -5.381 54 1HB ALA 6 1HB ALA 6 -8.275 0.416 -7.951 55 2HB ALA 6 2HB ALA 6 -9.876 0.625 -7.242 56 3HB ALA 6 3HB ALA 6 -9.489 -0.851 -8.127 57 H SER 7 H SER 7 -10.371 -0.844 -4.318 58 HA SER 7 HA SER 7 -11.462 -3.452 -5.223 59 1HB SER 7 2HB SER 7 -11.262 -3.458 -2.345 60 2HB SER 7 1HB SER 7 -10.632 -4.630 -3.498 61 HG SER 7 HG SER 7 -8.788 -3.850 -2.805 62 H SER 8 H SER 8 -13.595 -3.879 -4.323 63 HA SER 8 HA SER 8 -14.955 -1.367 -3.457 64 1HB SER 8 2HB SER 8 -15.628 -3.465 -5.342 65 2HB SER 8 1HB SER 8 -16.890 -3.301 -4.125 66 HG SER 8 HG SER 8 -15.836 -1.354 -5.888 67 H GLY 9 H GLY 9 -14.281 -4.680 -2.572 68 1HA GLY 9 2HA GLY 9 -16.212 -4.632 -0.344 69 2HA GLY 9 1HA GLY 9 -15.135 -5.968 -0.753 70 H THR 10 H THR 10 -13.257 -6.174 0.401 71 HA THR 10 HA THR 10 -12.149 -3.824 1.814 72 HB THR 10 HB THR 10 -12.001 -5.612 3.846 73 HG1 THR 10 HG1 THR 10 -13.761 -6.856 3.910 74 1HG2 THR 10 1HG2 THR 10 -12.760 -3.412 4.262 75 2HG2 THR 10 2HG2 THR 10 -14.130 -4.432 4.700 76 3HG2 THR 10 3HG2 THR 10 -14.121 -3.582 3.155 77 H ASP 11 H ASP 11 -11.892 -7.336 1.240 78 HA ASP 11 HA ASP 11 -9.064 -6.981 0.508 79 1HB ASP 11 2HB ASP 11 -8.792 -7.278 2.884 80 2HB ASP 11 1HB ASP 11 -9.930 -8.626 2.901 81 H LEU 12 H LEU 12 -11.454 -9.516 1.370 82 HA LEU 12 HA LEU 12 -10.592 -10.993 -1.076 83 1HB LEU 12 2HB LEU 12 -10.414 -12.415 0.824 84 2HB LEU 12 1HB LEU 12 -11.954 -11.861 1.480 85 HG LEU 12 HG LEU 12 -12.137 -13.018 -1.226 86 1HD1 LEU 12 1HD1 LEU 12 -11.551 -15.203 -0.758 87 2HD1 LEU 12 2HD1 LEU 12 -11.839 -15.020 0.972 88 3HD1 LEU 12 3HD1 LEU 12 -10.368 -14.368 0.249 89 1HD2 LEU 12 1HD2 LEU 12 -13.667 -12.805 1.282 90 2HD2 LEU 12 2HD2 LEU 12 -13.851 -14.357 0.465 91 3HD2 LEU 12 3HD2 LEU 12 -14.243 -12.861 -0.383 92 H GLY 13 H GLY 13 -13.426 -9.707 0.625 93 1HA GLY 13 2HA GLY 13 -15.441 -10.691 -1.109 94 2HA GLY 13 1HA GLY 13 -15.569 -9.194 -0.186 95 H SER 14 H SER 14 -13.100 -8.131 -1.550 96 HA SER 14 HA SER 14 -14.483 -6.901 -3.802 97 1HB SER 14 2HB SER 14 -12.536 -5.533 -4.025 98 2HB SER 14 1HB SER 14 -12.756 -5.772 -2.294 99 HG SER 14 HG SER 14 -10.796 -6.722 -4.012 100 H GLU 15 H GLU 15 -14.871 -8.920 -5.028 101 HA GLU 15 HA GLU 15 -12.598 -10.396 -6.096 102 1HB GLU 15 2HB GLU 15 -15.090 -11.166 -5.748 103 2HB GLU 15 1HB GLU 15 -15.332 -10.447 -7.342 104 1HG GLU 15 2HG GLU 15 -14.564 -12.377 -8.219 105 2HG GLU 15 1HG GLU 15 -12.974 -11.937 -7.595 106 H VAL 16 H VAL 16 -11.404 -8.561 -7.016 107 HA VAL 16 HA VAL 16 -10.671 -7.436 -8.952 108 HB VAL 16 HB VAL 16 -13.184 -8.348 -10.351 109 1HG1 VAL 16 1HG1 VAL 16 -10.678 -7.079 -11.071 110 2HG1 VAL 16 2HG1 VAL 16 -12.116 -7.338 -12.057 111 3HG1 VAL 16 3HG1 VAL 16 -10.885 -8.595 -11.949 112 1HG2 VAL 16 1HG2 VAL 16 -11.678 -10.351 -11.018 113 2HG2 VAL 16 2HG2 VAL 16 -12.431 -10.391 -9.423 114 3HG2 VAL 16 3HG2 VAL 16 -10.734 -9.938 -9.587 115 H SER 17 H SER 17 -12.819 -6.487 -6.936 116 HA SER 17 HA SER 17 -14.262 -4.636 -6.686 117 1HB SER 17 2HB SER 17 -12.999 -2.868 -8.549 118 2HB SER 17 1HB SER 17 -12.850 -2.890 -6.795 119 HG SER 17 HG SER 17 -11.127 -3.760 -8.715 120 H ARG 18 H ARG 18 -14.993 -2.619 -8.500 121 HA ARG 18 HA ARG 18 -16.302 -4.175 -10.694 122 1HB ARG 18 2HB ARG 18 -17.567 -2.942 -8.500 123 2HB ARG 18 1HB ARG 18 -17.854 -1.871 -9.872 124 1HG ARG 18 2HG ARG 18 -18.390 -4.140 -11.123 125 2HG ARG 18 1HG ARG 18 -18.692 -4.723 -9.486 126 1HD ARG 18 2HD ARG 18 -19.889 -2.095 -10.192 127 2HD ARG 18 1HD ARG 18 -20.592 -3.512 -10.971 128 HE ARG 18 HE ARG 18 -20.261 -3.878 -8.105 129 1HH1 ARG 18 2HH1 ARG 18 -21.830 -1.291 -8.571 130 2HH1 ARG 18 1HH1 ARG 18 -23.456 -1.885 -8.550 131 1HH2 ARG 18 1HH2 ARG 18 -22.530 -5.203 -8.952 132 2HH2 ARG 18 2HH2 ARG 18 -23.852 -4.100 -8.766 133 H PHE 19 H PHE 19 -14.933 -1.107 -9.614 134 HA PHE 19 HA PHE 19 -14.418 -0.415 -12.440 135 1HB PHE 19 2HB PHE 19 -16.644 0.655 -11.187 136 2HB PHE 19 1HB PHE 19 -15.418 1.902 -10.948 137 HD1 PHE 19 HD1 PHE 19 -17.230 -0.107 -13.481 138 HD2 PHE 19 HD2 PHE 19 -14.528 3.163 -12.796 139 HE1 PHE 19 HE1 PHE 19 -17.487 0.600 -15.846 140 HE2 PHE 19 HE2 PHE 19 -14.784 3.871 -15.160 141 HZ PHE 19 HZ PHE 19 -16.264 2.590 -16.686 142 H PHE 20 H PHE 20 -13.208 1.894 -12.345 143 HA PHE 20 HA PHE 20 -11.284 1.739 -10.057 144 1HB PHE 20 2HB PHE 20 -10.127 0.994 -12.031 145 2HB PHE 20 1HB PHE 20 -10.774 2.332 -12.984 146 HD1 PHE 20 HD1 PHE 20 -9.116 2.039 -9.624 147 HD2 PHE 20 HD2 PHE 20 -9.153 3.923 -13.488 148 HE1 PHE 20 HE1 PHE 20 -7.192 3.455 -8.953 149 HE2 PHE 20 HE2 PHE 20 -7.227 5.337 -12.817 150 HZ PHE 20 HZ PHE 20 -6.248 5.104 -10.548 151 H GLY 21 H GLY 21 -12.611 3.366 -8.974 152 1HA GLY 21 2HA GLY 21 -11.805 5.909 -8.815 153 2HA GLY 21 1HA GLY 21 -12.775 6.017 -10.284 154 H ARG 22 H ARG 22 -14.514 3.789 -9.006 155 HA ARG 22 HA ARG 22 -16.127 5.669 -7.331 156 1HB ARG 22 2HB ARG 22 -17.129 3.188 -8.747 157 2HB ARG 22 1HB ARG 22 -18.089 4.498 -8.059 158 1HG ARG 22 2HG ARG 22 -17.705 5.899 -9.834 159 2HG ARG 22 1HG ARG 22 -16.081 5.269 -10.112 160 1HD ARG 22 2HD ARG 22 -17.008 4.200 -11.886 161 2HD ARG 22 1HD ARG 22 -17.644 3.079 -10.683 162 HE ARG 22 HE ARG 22 -19.565 5.028 -10.719 163 1HH1 ARG 22 2HH1 ARG 22 -17.963 3.099 -13.092 164 2HH1 ARG 22 1HH1 ARG 22 -19.252 3.213 -14.243 165 1HH2 ARG 22 1HH2 ARG 22 -21.222 5.244 -12.241 166 2HH2 ARG 22 2HH2 ARG 22 -21.095 4.425 -13.761 167 H ALA 23 H ALA 23 -14.662 2.485 -7.492 168 HA ALA 23 HA ALA 23 -15.932 1.229 -5.305 169 1HB ALA 23 1HB ALA 23 -14.225 0.222 -6.907 170 2HB ALA 23 2HB ALA 23 -14.034 -0.226 -5.212 171 3HB ALA 23 3HB ALA 23 -12.980 0.995 -5.925 172 HA PRO 24 HA PRO 24 -14.395 4.137 -2.221 173 1HB PRO 24 2HB PRO 24 -16.259 3.430 -0.331 174 2HB PRO 24 1HB PRO 24 -16.586 4.570 -1.648 175 1HG PRO 24 2HG PRO 24 -17.503 1.754 -1.336 176 2HG PRO 24 1HG PRO 24 -18.239 3.079 -2.254 177 1HD PRO 24 2HD PRO 24 -16.687 0.953 -3.326 178 2HD PRO 24 1HD PRO 24 -17.197 2.422 -4.183 179 H TYR 25 H TYR 25 -12.940 1.712 -2.571 180 HA TYR 25 HA TYR 25 -12.202 1.158 0.207 181 1HB TYR 25 2HB TYR 25 -13.673 -0.819 -1.485 182 2HB TYR 25 1HB TYR 25 -12.364 -1.419 -0.467 183 HD1 TYR 25 HD1 TYR 25 -15.789 -0.330 -0.560 184 HD2 TYR 25 HD2 TYR 25 -12.384 -0.770 2.026 185 HE1 TYR 25 HE1 TYR 25 -17.279 -0.223 1.422 186 HE2 TYR 25 HE2 TYR 25 -13.873 -0.663 4.007 187 HH TYR 25 HH TYR 25 -16.812 -1.263 4.131 188 H PHE 26 H PHE 26 -10.399 2.324 -1.062 189 HA PHE 26 HA PHE 26 -8.902 0.681 -2.968 190 1HB PHE 26 2HB PHE 26 -8.415 3.356 -1.655 191 2HB PHE 26 1HB PHE 26 -7.188 2.577 -2.654 192 HD1 PHE 26 HD1 PHE 26 -10.731 3.750 -2.661 193 HD2 PHE 26 HD2 PHE 26 -7.302 2.674 -5.018 194 HE1 PHE 26 HE1 PHE 26 -11.877 4.572 -4.702 195 HE2 PHE 26 HE2 PHE 26 -8.448 3.495 -7.060 196 HZ PHE 26 HZ PHE 26 -10.736 4.444 -6.902 197 H MET 27 H MET 27 -6.758 -0.141 -2.570 198 HA MET 27 HA MET 27 -6.156 -0.564 0.332 199 1HB MET 27 2HB MET 27 -5.718 -2.448 -2.009 200 2HB MET 27 1HB MET 27 -5.161 -2.747 -0.362 201 1HG MET 27 2HG MET 27 -7.643 -2.357 0.311 202 2HG MET 27 1HG MET 27 -7.988 -2.621 -1.399 203 1HE MET 27 1HE MET 27 -7.517 -5.139 1.966 204 2HE MET 27 2HE MET 27 -6.793 -3.545 1.767 205 3HE MET 27 3HE MET 27 -5.797 -4.986 1.584 206 H ILE 28 H ILE 28 -4.360 0.615 0.826 207 HA ILE 28 HA ILE 28 -2.309 1.003 -1.307 208 HB ILE 28 HB ILE 28 -2.869 2.525 1.253 209 1HG1 ILE 28 2HG1 ILE 28 -4.364 2.900 -0.743 210 2HG1 ILE 28 1HG1 ILE 28 -3.468 4.336 -0.245 211 1HG2 ILE 28 1HG2 ILE 28 -1.067 4.050 -0.062 212 2HG2 ILE 28 2HG2 ILE 28 -0.504 2.450 -0.550 213 3HG2 ILE 28 3HG2 ILE 28 -0.602 2.866 1.161 214 1HD1 ILE 28 1HD1 ILE 28 -2.252 4.389 -2.162 215 2HD1 ILE 28 2HD1 ILE 28 -3.523 3.349 -2.808 216 3HD1 ILE 28 3HD1 ILE 28 -2.036 2.638 -2.180 217 H VAL 29 H VAL 29 -0.528 -0.253 -1.152 218 HA VAL 29 HA VAL 29 0.325 -1.147 1.575 219 HB VAL 29 HB VAL 29 0.345 -2.645 -1.056 220 1HG1 VAL 29 1HG1 VAL 29 2.526 -2.938 0.057 221 2HG1 VAL 29 2HG1 VAL 29 1.577 -4.421 0.148 222 3HG1 VAL 29 3HG1 VAL 29 1.708 -3.370 1.558 223 1HG2 VAL 29 1HG2 VAL 29 -0.670 -4.347 0.737 224 2HG2 VAL 29 2HG2 VAL 29 -1.682 -3.141 -0.058 225 3HG2 VAL 29 3HG2 VAL 29 -1.071 -2.846 1.570 226 H GLU 30 H GLU 30 2.206 -0.134 2.080 227 HA GLU 30 HA GLU 30 3.952 0.862 -0.083 228 1HB GLU 30 2HB GLU 30 3.578 2.398 1.735 229 2HB GLU 30 1HB GLU 30 4.012 1.175 2.930 230 1HG GLU 30 2HG GLU 30 6.297 1.234 2.336 231 2HG GLU 30 1HG GLU 30 5.965 2.029 0.796 232 H MET 31 H MET 31 4.755 -1.188 -0.863 233 HA MET 31 HA MET 31 6.202 -2.943 0.993 234 1HB MET 31 2HB MET 31 5.044 -3.988 -0.864 235 2HB MET 31 1HB MET 31 5.894 -2.966 -2.024 236 1HG MET 31 2HG MET 31 7.722 -4.295 -2.008 237 2HG MET 31 1HG MET 31 7.722 -4.400 -0.247 238 1HE MET 31 1HE MET 31 4.899 -6.671 -3.007 239 2HE MET 31 2HE MET 31 5.408 -4.987 -3.057 240 3HE MET 31 3HE MET 31 4.215 -5.503 -1.868 241 H LYS 32 H LYS 32 8.312 -2.648 1.525 242 HA LYS 32 HA LYS 32 9.866 -0.585 0.101 243 1HB LYS 32 2HB LYS 32 9.979 -1.925 2.721 244 2HB LYS 32 1HB LYS 32 11.559 -1.654 1.987 245 1HG LYS 32 2HG LYS 32 9.811 0.664 1.692 246 2HG LYS 32 1HG LYS 32 10.064 0.236 3.384 247 1HD LYS 32 2HD LYS 32 12.432 0.264 1.553 248 2HD LYS 32 1HD LYS 32 11.786 1.807 2.117 249 1HE LYS 32 2HE LYS 32 12.059 1.147 4.431 250 2HE LYS 32 1HE LYS 32 12.511 -0.491 3.957 251 1HZ LYS 32 1HZ LYS 32 14.476 0.354 2.900 252 2HZ LYS 32 2HZ LYS 32 14.432 0.914 4.504 253 3HZ LYS 32 3HZ LYS 32 14.023 1.957 3.226 254 H LYS 33 H LYS 33 11.409 -3.434 1.442 255 HA LYS 33 HA LYS 33 12.595 -3.953 -1.234 256 1HB LYS 33 2HB LYS 33 13.730 -3.804 1.278 257 2HB LYS 33 1HB LYS 33 13.579 -5.544 1.030 258 1HG LYS 33 2HG LYS 33 14.571 -4.027 -1.307 259 2HG LYS 33 1HG LYS 33 15.658 -4.058 0.083 260 1HD LYS 33 2HD LYS 33 15.728 -6.442 0.102 261 2HD LYS 33 1HD LYS 33 14.361 -6.562 -1.007 262 1HE LYS 33 2HE LYS 33 16.912 -5.170 -1.817 263 2HE LYS 33 1HE LYS 33 16.724 -6.914 -1.994 264 1HZ LYS 33 1HZ LYS 33 14.883 -6.620 -3.418 265 2HZ LYS 33 2HZ LYS 33 16.084 -5.555 -3.977 266 3HZ LYS 33 3HZ LYS 33 14.773 -4.963 -3.073 267 H GLY 34 H GLY 34 10.714 -5.062 -2.098 268 1HA GLY 34 2HA GLY 34 9.276 -6.911 -2.400 269 2HA GLY 34 1HA GLY 34 10.757 -7.823 -2.109 270 H ASN 35 H ASN 35 9.200 -5.750 0.285 271 HA ASN 35 HA ASN 35 8.158 -8.140 1.702 272 1HB ASN 35 2HB ASN 35 10.591 -7.481 2.413 273 2HB ASN 35 1HB ASN 35 9.798 -6.140 3.240 274 1HD2 ASN 35 1HD2 ASN 35 8.949 -9.630 2.812 275 2HD2 ASN 35 2HD2 ASN 35 8.693 -9.916 4.465 276 H ILE 36 H ILE 36 6.034 -7.486 1.728 277 HA ILE 36 HA ILE 36 5.059 -4.846 1.833 278 HB ILE 36 HB ILE 36 3.613 -6.776 1.358 279 1HG1 ILE 36 2HG1 ILE 36 2.453 -5.726 3.900 280 2HG1 ILE 36 1HG1 ILE 36 2.877 -4.545 2.659 281 1HG2 ILE 36 1HG2 ILE 36 3.605 -7.445 4.291 282 2HG2 ILE 36 2HG2 ILE 36 4.833 -8.139 3.232 283 3HG2 ILE 36 3HG2 ILE 36 3.124 -8.449 2.923 284 1HD1 ILE 36 1HD1 ILE 36 0.733 -5.059 1.970 285 2HD1 ILE 36 2HD1 ILE 36 0.813 -6.706 2.597 286 3HD1 ILE 36 3HD1 ILE 36 1.625 -6.297 1.084 287 H GLU 37 H GLU 37 5.389 -3.335 3.390 288 HA GLU 37 HA GLU 37 5.523 -4.270 6.227 289 1HB GLU 37 2HB GLU 37 7.728 -3.456 5.029 290 2HB GLU 37 1HB GLU 37 7.050 -1.853 5.314 291 1HG GLU 37 2HG GLU 37 8.196 -2.134 7.299 292 2HG GLU 37 1HG GLU 37 6.653 -2.857 7.753 293 H SER 38 H SER 38 3.314 -3.101 4.529 294 HA SER 38 HA SER 38 2.108 -1.440 6.472 295 1HB SER 38 2HB SER 38 3.429 0.415 6.153 296 2HB SER 38 1HB SER 38 3.855 -0.043 4.506 297 HG SER 38 HG SER 38 2.075 0.891 3.774 298 H SER 39 H SER 39 -0.034 -1.546 6.005 299 HA SER 39 HA SER 39 -0.985 -1.291 3.238 300 1HB SER 39 2HB SER 39 -1.681 -3.809 4.761 301 2HB SER 39 1HB SER 39 -2.014 -3.439 3.072 302 HG SER 39 HG SER 39 0.306 -3.373 2.794 303 H GLU 40 H GLU 40 -2.576 0.192 3.580 304 HA GLU 40 HA GLU 40 -4.493 -0.343 5.809 305 1HB GLU 40 2HB GLU 40 -4.677 2.282 5.795 306 2HB GLU 40 1HB GLU 40 -3.358 1.505 6.673 307 1HG GLU 40 2HG GLU 40 -1.788 1.978 4.967 308 2HG GLU 40 1HG GLU 40 -3.052 2.323 3.785 309 H VAL 41 H VAL 41 -6.645 -0.104 5.256 310 HA VAL 41 HA VAL 41 -7.217 0.359 2.388 311 HB VAL 41 HB VAL 41 -9.047 -0.528 4.641 312 1HG1 VAL 41 1HG1 VAL 41 -10.460 0.327 2.971 313 2HG1 VAL 41 2HG1 VAL 41 -10.339 -1.378 2.537 314 3HG1 VAL 41 3HG1 VAL 41 -9.382 -0.179 1.670 315 1HG2 VAL 41 1HG2 VAL 41 -7.945 -2.492 4.434 316 2HG2 VAL 41 2HG2 VAL 41 -7.056 -1.921 3.022 317 3HG2 VAL 41 3HG2 VAL 41 -8.665 -2.618 2.828 318 H ILE 42 H ILE 42 -8.870 1.913 1.742 319 HA ILE 42 HA ILE 42 -9.692 3.884 3.793 320 HB ILE 42 HB ILE 42 -7.524 4.716 2.959 321 1HG1 ILE 42 2HG1 ILE 42 -9.369 6.546 1.552 322 2HG1 ILE 42 1HG1 ILE 42 -9.858 6.127 3.194 323 1HG2 ILE 42 1HG2 ILE 42 -7.206 3.880 0.814 324 2HG2 ILE 42 2HG2 ILE 42 -7.705 5.531 0.448 325 3HG2 ILE 42 3HG2 ILE 42 -8.868 4.212 0.326 326 1HD1 ILE 42 1HD1 ILE 42 -7.111 6.587 3.399 327 2HD1 ILE 42 2HD1 ILE 42 -8.392 7.686 3.910 328 3HD1 ILE 42 3HD1 ILE 42 -7.682 7.847 2.304 329 H GLU 43 H GLU 43 -11.623 4.914 3.257 330 HA GLU 43 HA GLU 43 -13.064 3.789 0.939 331 1HB GLU 43 2HB GLU 43 -13.843 5.401 3.360 332 2HB GLU 43 1HB GLU 43 -14.936 5.298 1.979 333 1HG GLU 43 2HG GLU 43 -14.054 2.665 2.419 334 2HG GLU 43 1HG GLU 43 -14.391 3.316 4.023 335 H ASN 44 H ASN 44 -11.685 4.955 -0.645 336 HA ASN 44 HA ASN 44 -11.258 7.680 -0.869 337 1HB ASN 44 2HB ASN 44 -11.651 5.474 -2.802 338 2HB ASN 44 1HB ASN 44 -11.911 7.093 -3.452 339 1HD2 ASN 44 1HD2 ASN 44 -9.520 5.369 -1.361 340 2HD2 ASN 44 2HD2 ASN 44 -8.168 6.171 -2.000 341 HA PRO 45 HA PRO 45 -15.252 9.502 -1.127 342 1HB PRO 45 2HB PRO 45 -14.484 11.911 -2.203 343 2HB PRO 45 1HB PRO 45 -14.230 11.475 -0.505 344 1HG PRO 45 2HG PRO 45 -12.244 11.611 -2.726 345 2HG PRO 45 1HG PRO 45 -11.994 11.806 -0.983 346 1HD PRO 45 2HD PRO 45 -11.403 9.485 -2.490 347 2HD PRO 45 1HD PRO 45 -11.479 9.588 -0.718 348 H SER 46 H SER 46 -16.222 11.215 -3.037 349 HA SER 46 HA SER 46 -17.037 11.343 -5.234 350 1HB SER 46 2HB SER 46 -15.358 11.281 -6.734 351 2HB SER 46 1HB SER 46 -14.321 10.597 -5.488 352 HG SER 46 HG SER 46 -15.917 9.268 -7.412 353 H ALA 47 H ALA 47 -17.153 8.768 -3.296 354 HA ALA 47 HA ALA 47 -17.971 6.664 -5.121 355 1HB ALA 47 1HB ALA 47 -18.761 6.879 -2.212 356 2HB ALA 47 2HB ALA 47 -17.136 6.400 -2.700 357 3HB ALA 47 3HB ALA 47 -18.524 5.419 -3.172 358 H SER 48 H SER 48 -19.675 9.089 -3.158 359 HA SER 48 HA SER 48 -22.056 8.673 -4.892 360 1HB SER 48 2HB SER 48 -21.873 8.197 -1.976 361 2HB SER 48 1HB SER 48 -23.256 9.157 -2.492 362 HG SER 48 HG SER 48 -23.777 6.973 -2.593 363 H ALA 49 H ALA 49 -20.511 10.743 -5.427 364 HA ALA 49 HA ALA 49 -21.517 13.068 -3.855 365 1HB ALA 49 1HB ALA 49 -19.746 14.288 -5.305 366 2HB ALA 49 2HB ALA 49 -19.169 12.672 -5.707 367 3HB ALA 49 3HB ALA 49 -19.166 13.216 -4.030 368 H SER 50 H SER 50 -23.588 12.270 -5.195 369 HA SER 50 HA SER 50 -25.102 12.725 -6.935 370 1HB SER 50 2HB SER 50 -24.409 15.056 -5.897 371 2HB SER 50 1HB SER 50 -23.616 15.279 -7.454 372 HG SER 50 HG SER 50 -25.952 15.910 -7.165 373 H GLY 51 H GLY 51 -23.203 11.032 -7.850 374 1HA GLY 51 2HA GLY 51 -22.234 10.262 -9.842 375 2HA GLY 51 1HA GLY 51 -23.160 11.518 -10.665 376 H GLY 52 H GLY 52 -20.258 10.587 -10.889 377 1HA GLY 52 2HA GLY 52 -19.119 13.205 -11.338 378 2HA GLY 52 1HA GLY 52 -18.425 12.452 -9.901 379 H ALA 53 H ALA 53 -16.466 12.677 -11.468 380 HA ALA 53 HA ALA 53 -16.366 10.328 -13.311 381 1HB ALA 53 1HB ALA 53 -14.372 11.457 -14.285 382 2HB ALA 53 2HB ALA 53 -14.594 12.785 -13.147 383 3HB ALA 53 3HB ALA 53 -15.816 12.465 -14.376 384 H GLY 54 H GLY 54 -14.723 8.781 -13.047 385 1HA GLY 54 2HA GLY 54 -13.336 8.891 -10.411 386 2HA GLY 54 1HA GLY 54 -13.657 7.417 -11.326 387 H ILE 55 H ILE 55 -12.742 9.441 -13.671 388 HA ILE 55 HA ILE 55 -10.090 8.291 -13.874 389 HB ILE 55 HB ILE 55 -11.359 10.550 -15.453 390 1HG1 ILE 55 2HG1 ILE 55 -12.580 8.346 -15.496 391 2HG1 ILE 55 1HG1 ILE 55 -11.949 8.837 -17.068 392 1HG2 ILE 55 1HG2 ILE 55 -8.933 10.541 -15.689 393 2HG2 ILE 55 2HG2 ILE 55 -9.656 9.895 -17.162 394 3HG2 ILE 55 3HG2 ILE 55 -8.938 8.801 -15.979 395 1HD1 ILE 55 1HD1 ILE 55 -10.618 6.892 -15.159 396 2HD1 ILE 55 2HD1 ILE 55 -9.971 7.395 -16.720 397 3HD1 ILE 55 3HD1 ILE 55 -11.464 6.460 -16.644 398 H ARG 56 H ARG 56 -11.379 11.144 -12.414 399 HA ARG 56 HA ARG 56 -8.933 12.711 -12.525 400 1HB ARG 56 2HB ARG 56 -11.614 12.967 -11.330 401 2HB ARG 56 1HB ARG 56 -10.326 13.694 -10.370 402 1HG ARG 56 2HG ARG 56 -9.544 14.910 -12.402 403 2HG ARG 56 1HG ARG 56 -10.915 14.248 -13.292 404 1HD ARG 56 2HD ARG 56 -12.259 15.255 -11.207 405 2HD ARG 56 1HD ARG 56 -10.868 16.338 -11.164 406 HE ARG 56 HE ARG 56 -12.666 16.027 -13.533 407 1HH1 ARG 56 1HH2 ARG 56 -12.341 18.340 -11.376 408 2HH1 ARG 56 2HH2 ARG 56 -11.595 19.537 -12.381 409 1HH2 ARG 56 2HH1 ARG 56 -10.862 17.314 -14.939 410 2HH2 ARG 56 1HH1 ARG 56 -10.755 18.956 -14.397 411 H THR 57 H THR 57 -10.014 10.060 -10.635 412 HA THR 57 HA THR 57 -8.574 10.619 -8.205 413 HB THR 57 HB THR 57 -9.430 7.985 -9.441 414 HG1 THR 57 HG1 THR 57 -10.551 9.321 -7.230 415 1HG2 THR 57 1HG2 THR 57 -7.510 7.991 -7.695 416 2HG2 THR 57 2HG2 THR 57 -8.884 6.921 -7.415 417 3HG2 THR 57 3HG2 THR 57 -8.764 8.449 -6.541 418 H ALA 58 H ALA 58 -7.635 9.411 -11.333 419 HA ALA 58 HA ALA 58 -5.292 7.983 -10.753 420 1HB ALA 58 1HB ALA 58 -5.851 8.029 -13.026 421 2HB ALA 58 2HB ALA 58 -4.460 9.113 -12.970 422 3HB ALA 58 3HB ALA 58 -6.093 9.777 -13.029 423 H GLN 59 H GLN 59 -5.498 11.505 -11.400 424 HA GLN 59 HA GLN 59 -2.833 12.171 -10.857 425 1HB GLN 59 2HB GLN 59 -5.405 13.582 -10.867 426 2HB GLN 59 1HB GLN 59 -4.233 14.287 -9.754 427 1HG GLN 59 2HG GLN 59 -2.949 15.070 -11.442 428 2HG GLN 59 1HG GLN 59 -3.041 13.544 -12.321 429 1HE2 GLN 59 1HE2 GLN 59 -3.738 14.183 -14.392 430 2HE2 GLN 59 2HE2 GLN 59 -5.131 15.109 -14.685 431 H ILE 60 H ILE 60 -5.470 11.579 -8.564 432 HA ILE 60 HA ILE 60 -4.098 12.473 -6.218 433 HB ILE 60 HB ILE 60 -6.191 10.290 -6.470 434 1HG1 ILE 60 2HG1 ILE 60 -6.567 13.226 -5.816 435 2HG1 ILE 60 1HG1 ILE 60 -6.779 12.566 -7.437 436 1HG2 ILE 60 1HG2 ILE 60 -6.027 10.100 -4.235 437 2HG2 ILE 60 2HG2 ILE 60 -6.320 11.830 -4.054 438 3HG2 ILE 60 3HG2 ILE 60 -4.672 11.231 -4.249 439 1HD1 ILE 60 1HD1 ILE 60 -8.623 12.521 -5.224 440 2HD1 ILE 60 2HD1 ILE 60 -8.218 10.868 -5.686 441 3HD1 ILE 60 3HD1 ILE 60 -8.879 11.980 -6.884 442 H ILE 61 H ILE 61 -4.658 9.076 -7.226 443 HA ILE 61 HA ILE 61 -2.855 7.890 -5.421 444 HB ILE 61 HB ILE 61 -3.736 7.070 -8.195 445 1HG1 ILE 61 2HG1 ILE 61 -4.349 5.556 -5.700 446 2HG1 ILE 61 1HG1 ILE 61 -5.145 7.118 -5.903 447 1HG2 ILE 61 1HG2 ILE 61 -2.801 4.788 -6.923 448 2HG2 ILE 61 2HG2 ILE 61 -1.574 5.993 -6.536 449 3HG2 ILE 61 3HG2 ILE 61 -1.973 5.651 -8.220 450 1HD1 ILE 61 1HD1 ILE 61 -5.952 4.695 -7.040 451 2HD1 ILE 61 2HD1 ILE 61 -5.189 5.569 -8.369 452 3HD1 ILE 61 3HD1 ILE 61 -6.529 6.300 -7.485 453 H ALA 62 H ALA 62 -2.187 9.680 -8.338 454 HA ALA 62 HA ALA 62 0.447 8.671 -8.850 455 1HB ALA 62 1HB ALA 62 -0.834 11.350 -9.449 456 2HB ALA 62 2HB ALA 62 -0.655 9.982 -10.547 457 3HB ALA 62 3HB ALA 62 0.767 10.886 -10.026 458 H ASN 63 H ASN 63 -0.677 11.482 -6.956 459 HA ASN 63 HA ASN 63 2.025 12.134 -6.084 460 1HB ASN 63 2HB ASN 63 -0.552 13.077 -4.815 461 2HB ASN 63 1HB ASN 63 1.011 13.894 -4.833 462 1HD2 ASN 63 1HD2 ASN 63 -1.507 15.024 -5.870 463 2HD2 ASN 63 2HD2 ASN 63 -1.272 15.291 -7.530 464 H ASN 64 H ASN 64 0.262 9.516 -5.325 465 HA ASN 64 HA ASN 64 0.754 9.625 -2.400 466 1HB ASN 64 2HB ASN 64 -1.189 8.354 -4.049 467 2HB ASN 64 1HB ASN 64 -0.256 7.082 -3.260 468 1HD2 ASN 64 1HD2 ASN 64 -0.436 6.865 -0.951 469 2HD2 ASN 64 2HD2 ASN 64 -1.540 7.771 -0.033 470 H GLY 65 H GLY 65 2.652 9.047 -4.943 471 1HA GLY 65 2HA GLY 65 4.738 7.963 -5.083 472 2HA GLY 65 1HA GLY 65 4.508 7.417 -3.421 473 H VAL 66 H VAL 66 1.817 6.651 -5.298 474 HA VAL 66 HA VAL 66 2.310 3.812 -5.107 475 HB VAL 66 HB VAL 66 0.285 5.196 -6.883 476 1HG1 VAL 66 1HG1 VAL 66 -0.387 3.093 -7.312 477 2HG1 VAL 66 2HG1 VAL 66 -0.642 2.823 -5.588 478 3HG1 VAL 66 3HG1 VAL 66 0.925 2.469 -6.313 479 1HG2 VAL 66 1HG2 VAL 66 0.441 4.868 -3.921 480 2HG2 VAL 66 2HG2 VAL 66 -1.125 4.577 -4.678 481 3HG2 VAL 66 3HG2 VAL 66 -0.329 6.139 -4.871 482 H LYS 67 H LYS 67 4.153 3.209 -6.240 483 HA LYS 67 HA LYS 67 4.579 4.092 -8.995 484 1HB LYS 67 2HB LYS 67 6.196 3.009 -6.991 485 2HB LYS 67 1HB LYS 67 6.074 1.719 -8.187 486 1HG LYS 67 2HG LYS 67 6.584 3.537 -9.940 487 2HG LYS 67 1HG LYS 67 7.083 4.538 -8.575 488 1HD LYS 67 2HD LYS 67 8.653 2.717 -7.878 489 2HD LYS 67 1HD LYS 67 8.223 1.837 -9.345 490 1HE LYS 67 2HE LYS 67 9.095 3.590 -10.746 491 2HE LYS 67 1HE LYS 67 9.310 4.663 -9.364 492 1HZ LYS 67 1HZ LYS 67 11.198 3.008 -10.386 493 2HZ LYS 67 2HZ LYS 67 10.625 2.133 -9.048 494 3HZ LYS 67 3HZ LYS 67 11.235 3.706 -8.840 495 H ALA 68 H ALA 68 2.512 1.913 -7.560 496 HA ALA 68 HA ALA 68 2.211 0.446 -10.137 497 1HB ALA 68 1HB ALA 68 2.599 -0.736 -7.397 498 2HB ALA 68 2HB ALA 68 3.319 -1.229 -8.929 499 3HB ALA 68 3HB ALA 68 1.626 -1.592 -8.593 500 H VAL 69 H VAL 69 0.080 0.398 -10.756 501 HA VAL 69 HA VAL 69 -1.970 0.923 -8.643 502 HB VAL 69 HB VAL 69 -2.111 1.999 -11.467 503 1HG1 VAL 69 1HG1 VAL 69 -3.522 3.547 -9.546 504 2HG1 VAL 69 2HG1 VAL 69 -3.915 1.856 -9.233 505 3HG1 VAL 69 3HG1 VAL 69 -4.198 2.545 -10.830 506 1HG2 VAL 69 1HG2 VAL 69 -1.235 3.457 -8.954 507 2HG2 VAL 69 2HG2 VAL 69 -1.370 4.145 -10.572 508 3HG2 VAL 69 3HG2 VAL 69 -0.142 2.927 -10.233 509 H ILE 70 H ILE 70 -3.075 -0.985 -8.513 510 HA ILE 70 HA ILE 70 -3.489 -2.606 -10.948 511 HB ILE 70 HB ILE 70 -4.058 -3.041 -8.011 512 1HG1 ILE 70 2HG1 ILE 70 -2.568 -5.039 -8.490 513 2HG1 ILE 70 1HG1 ILE 70 -2.283 -4.347 -10.087 514 1HG2 ILE 70 1HG2 ILE 70 -5.921 -4.129 -8.893 515 2HG2 ILE 70 2HG2 ILE 70 -4.715 -5.414 -8.955 516 3HG2 ILE 70 3HG2 ILE 70 -5.110 -4.502 -10.412 517 1HD1 ILE 70 1HD1 ILE 70 -1.307 -2.360 -9.134 518 2HD1 ILE 70 2HD1 ILE 70 -0.538 -3.745 -8.356 519 3HD1 ILE 70 3HD1 ILE 70 -1.792 -2.838 -7.507 520 H ALA 71 H ALA 71 -4.999 -1.433 -12.163 521 HA ALA 71 HA ALA 71 -7.697 -1.156 -10.895 522 1HB ALA 71 1HB ALA 71 -6.913 1.080 -11.171 523 2HB ALA 71 2HB ALA 71 -7.993 0.791 -12.537 524 3HB ALA 71 3HB ALA 71 -6.245 0.727 -12.764 525 H SER 72 H SER 72 -9.431 -1.003 -12.709 526 HA SER 72 HA SER 72 -8.678 -2.791 -14.982 527 1HB SER 72 2HB SER 72 -10.927 -3.872 -14.720 528 2HB SER 72 1HB SER 72 -9.851 -4.165 -13.356 529 HG SER 72 HG SER 72 -12.250 -3.035 -13.355 530 H SER 73 H SER 73 -9.049 0.158 -14.789 531 HA SER 73 HA SER 73 -11.504 1.109 -15.721 532 1HB SER 73 2HB SER 73 -8.677 1.949 -16.043 533 2HB SER 73 1HB SER 73 -9.810 2.609 -17.219 534 HG SER 73 HG SER 73 -11.121 2.945 -15.133 535 HA PRO 74 HA PRO 74 -12.026 -0.728 -19.679 536 1HB PRO 74 2HB PRO 74 -13.771 1.114 -20.737 537 2HB PRO 74 1HB PRO 74 -14.236 -0.091 -19.523 538 1HG PRO 74 2HG PRO 74 -13.787 2.839 -19.186 539 2HG PRO 74 1HG PRO 74 -14.810 1.745 -18.240 540 1HD PRO 74 2HD PRO 74 -12.257 2.703 -17.477 541 2HD PRO 74 1HD PRO 74 -13.144 1.367 -16.712 542 H GLY 75 H GLY 75 -12.217 2.779 -20.333 543 1HA GLY 75 2HA GLY 75 -10.661 2.559 -22.747 544 2HA GLY 75 1HA GLY 75 -11.111 4.071 -21.957 545 HA PRO 76 HA PRO 76 -6.622 2.757 -20.998 546 1HB PRO 76 2HB PRO 76 -5.279 3.439 -23.298 547 2HB PRO 76 1HB PRO 76 -5.889 1.808 -22.967 548 1HG PRO 76 2HG PRO 76 -6.959 3.867 -24.838 549 2HG PRO 76 1HG PRO 76 -7.114 2.103 -24.902 550 1HD PRO 76 2HD PRO 76 -9.105 3.919 -24.020 551 2HD PRO 76 1HD PRO 76 -9.124 2.155 -23.806 552 H ASN 77 H ASN 77 -8.424 5.393 -21.729 553 HA ASN 77 HA ASN 77 -6.652 7.540 -22.162 554 1HB ASN 77 2HB ASN 77 -9.264 7.487 -21.917 555 2HB ASN 77 1HB ASN 77 -8.928 7.815 -20.217 556 1HD2 ASN 77 1HD2 ASN 77 -7.071 9.670 -20.031 557 2HD2 ASN 77 2HD2 ASN 77 -7.365 11.034 -20.999 558 H ALA 78 H ALA 78 -7.836 6.379 -18.980 559 HA ALA 78 HA ALA 78 -6.115 7.988 -17.405 560 1HB ALA 78 1HB ALA 78 -7.757 5.575 -16.995 561 2HB ALA 78 2HB ALA 78 -7.566 6.995 -15.966 562 3HB ALA 78 3HB ALA 78 -6.374 5.697 -15.909 563 H PHE 79 H PHE 79 -5.621 4.690 -18.683 564 HA PHE 79 HA PHE 79 -3.092 4.198 -17.511 565 1HB PHE 79 2HB PHE 79 -4.113 3.337 -20.237 566 2HB PHE 79 1HB PHE 79 -2.728 2.635 -19.405 567 HD1 PHE 79 HD1 PHE 79 -4.925 0.880 -20.195 568 HD2 PHE 79 HD2 PHE 79 -4.497 3.296 -16.665 569 HE1 PHE 79 HE1 PHE 79 -6.440 -0.649 -18.962 570 HE2 PHE 79 HE2 PHE 79 -6.012 1.766 -15.434 571 HZ PHE 79 HZ PHE 79 -6.984 -0.207 -16.582 572 H GLU 80 H GLU 80 -4.000 6.246 -20.196 573 HA GLU 80 HA GLU 80 -1.328 6.538 -21.280 574 1HB GLU 80 2HB GLU 80 -3.909 7.330 -22.030 575 2HB GLU 80 1HB GLU 80 -3.055 8.840 -21.710 576 1HG GLU 80 2HG GLU 80 -2.435 8.502 -23.913 577 2HG GLU 80 1HG GLU 80 -1.129 7.639 -23.098 578 H VAL 81 H VAL 81 -3.257 8.285 -18.878 579 HA VAL 81 HA VAL 81 -1.404 10.474 -18.568 580 HB VAL 81 HB VAL 81 -3.388 9.376 -16.553 581 1HG1 VAL 81 1HG1 VAL 81 -2.329 10.940 -15.279 582 2HG1 VAL 81 2HG1 VAL 81 -3.272 12.088 -16.228 583 3HG1 VAL 81 3HG1 VAL 81 -1.604 11.730 -16.680 584 1HG2 VAL 81 1HG2 VAL 81 -4.030 10.210 -19.055 585 2HG2 VAL 81 2HG2 VAL 81 -4.011 11.760 -18.212 586 3HG2 VAL 81 3HG2 VAL 81 -5.075 10.468 -17.657 587 H LEU 82 H LEU 82 -1.899 7.438 -16.749 588 HA LEU 82 HA LEU 82 0.043 7.817 -14.750 589 1HB LEU 82 2HB LEU 82 -0.912 5.340 -16.187 590 2HB LEU 82 1HB LEU 82 0.295 5.253 -14.904 591 HG LEU 82 HG LEU 82 -1.567 6.851 -13.725 592 1HD1 LEU 82 1HD1 LEU 82 -2.917 5.193 -15.816 593 2HD1 LEU 82 2HD1 LEU 82 -3.340 6.795 -15.212 594 3HD1 LEU 82 3HD1 LEU 82 -3.714 5.363 -14.252 595 1HD2 LEU 82 1HD2 LEU 82 -0.633 4.150 -13.533 596 2HD2 LEU 82 2HD2 LEU 82 -2.376 4.150 -13.259 597 3HD2 LEU 82 3HD2 LEU 82 -1.326 5.156 -12.261 598 H ASN 83 H ASN 83 0.464 6.776 -18.113 599 HA ASN 83 HA ASN 83 3.212 6.033 -17.923 600 1HB ASN 83 2HB ASN 83 1.454 5.847 -19.904 601 2HB ASN 83 1HB ASN 83 2.184 7.375 -20.394 602 1HD2 ASN 83 1HD2 ASN 83 2.710 5.475 -22.200 603 2HD2 ASN 83 2HD2 ASN 83 4.264 4.815 -22.025 604 H GLU 84 H GLU 84 1.668 9.180 -18.548 605 HA GLU 84 HA GLU 84 4.220 10.540 -18.902 606 1HB GLU 84 2HB GLU 84 2.249 11.471 -19.967 607 2HB GLU 84 1HB GLU 84 1.415 11.581 -18.416 608 1HG GLU 84 2HG GLU 84 2.812 13.322 -17.651 609 2HG GLU 84 1HG GLU 84 4.047 12.982 -18.863 610 H LEU 85 H LEU 85 2.268 9.612 -16.203 611 HA LEU 85 HA LEU 85 3.494 11.587 -14.392 612 1HB LEU 85 2HB LEU 85 1.162 9.940 -14.358 613 2HB LEU 85 1HB LEU 85 2.158 9.492 -12.972 614 HG LEU 85 HG LEU 85 0.649 11.323 -12.356 615 1HD1 LEU 85 1HD1 LEU 85 2.246 12.466 -11.176 616 2HD1 LEU 85 2HD1 LEU 85 3.225 12.782 -12.608 617 3HD1 LEU 85 3HD1 LEU 85 3.297 11.206 -11.820 618 1HD2 LEU 85 1HD2 LEU 85 0.341 12.277 -14.607 619 2HD2 LEU 85 2HD2 LEU 85 2.021 12.812 -14.619 620 3HD2 LEU 85 3HD2 LEU 85 0.878 13.523 -13.480 621 H GLY 86 H GLY 86 4.215 8.472 -15.605 622 1HA GLY 86 2HA GLY 86 6.243 7.279 -15.203 623 2HA GLY 86 1HA GLY 86 6.530 8.294 -13.789 624 H ILE 87 H ILE 87 3.351 7.116 -13.890 625 HA ILE 87 HA ILE 87 3.930 5.315 -11.630 626 HB ILE 87 HB ILE 87 1.294 6.072 -12.929 627 1HG1 ILE 87 2HG1 ILE 87 2.061 7.038 -10.226 628 2HG1 ILE 87 1HG1 ILE 87 2.941 7.751 -11.577 629 1HG2 ILE 87 1HG2 ILE 87 1.156 5.263 -10.164 630 2HG2 ILE 87 2HG2 ILE 87 1.945 4.001 -11.110 631 3HG2 ILE 87 3HG2 ILE 87 0.335 4.564 -11.559 632 1HD1 ILE 87 1HD1 ILE 87 0.001 7.855 -10.972 633 2HD1 ILE 87 2HD1 ILE 87 0.553 8.006 -12.640 634 3HD1 ILE 87 3HD1 ILE 87 1.090 9.166 -11.425 635 H LYS 88 H LYS 88 3.537 3.073 -11.660 636 HA LYS 88 HA LYS 88 3.712 1.815 -14.296 637 1HB LYS 88 2HB LYS 88 4.891 1.025 -12.158 638 2HB LYS 88 1HB LYS 88 3.320 0.402 -11.652 639 1HG LYS 88 2HG LYS 88 3.219 -0.843 -13.859 640 2HG LYS 88 1HG LYS 88 4.906 -0.387 -14.106 641 1HD LYS 88 2HD LYS 88 3.960 -1.805 -11.608 642 2HD LYS 88 1HD LYS 88 4.520 -2.675 -13.037 643 1HE LYS 88 2HE LYS 88 6.387 -0.575 -12.403 644 2HE LYS 88 1HE LYS 88 6.106 -1.565 -10.970 645 1HZ LYS 88 1HZ LYS 88 7.691 -2.184 -13.147 646 2HZ LYS 88 2HZ LYS 88 6.333 -3.198 -13.269 647 3HZ LYS 88 3HZ LYS 88 7.277 -3.204 -11.856 648 H ILE 89 H ILE 89 1.904 1.457 -15.485 649 HA ILE 89 HA ILE 89 -0.739 1.463 -14.229 650 HB ILE 89 HB ILE 89 -0.023 0.810 -17.099 651 1HG1 ILE 89 2HG1 ILE 89 -1.043 3.489 -16.587 652 2HG1 ILE 89 1HG1 ILE 89 0.472 3.204 -15.729 653 1HG2 ILE 89 1HG2 ILE 89 -2.553 1.837 -15.776 654 2HG2 ILE 89 2HG2 ILE 89 -2.312 0.218 -16.432 655 3HG2 ILE 89 3HG2 ILE 89 -2.335 1.612 -17.511 656 1HD1 ILE 89 1HD1 ILE 89 1.553 3.566 -17.672 657 2HD1 ILE 89 2HD1 ILE 89 0.033 3.611 -18.565 658 3HD1 ILE 89 3HD1 ILE 89 0.841 2.071 -18.276 659 H TYR 90 H TYR 90 -1.233 -0.370 -13.087 660 HA TYR 90 HA TYR 90 -0.512 -3.004 -14.281 661 1HB TYR 90 2HB TYR 90 -0.470 -1.999 -11.617 662 2HB TYR 90 1HB TYR 90 -1.715 -3.248 -11.686 663 HD1 TYR 90 HD1 TYR 90 -1.102 -5.509 -11.593 664 HD2 TYR 90 HD2 TYR 90 1.817 -2.573 -12.746 665 HE1 TYR 90 HE1 TYR 90 0.655 -7.261 -11.607 666 HE2 TYR 90 HE2 TYR 90 3.574 -4.325 -12.760 667 HH TYR 90 HH TYR 90 2.797 -7.714 -11.947 668 H ARG 91 H ARG 91 -2.134 -4.497 -14.784 669 HA ARG 91 HA ARG 91 -4.908 -3.395 -14.733 670 1HB ARG 91 2HB ARG 91 -3.758 -4.096 -16.934 671 2HB ARG 91 1HB ARG 91 -3.973 -5.754 -16.370 672 1HG ARG 91 2HG ARG 91 -6.288 -5.649 -16.508 673 2HG ARG 91 1HG ARG 91 -6.324 -3.897 -16.307 674 1HD ARG 91 2HD ARG 91 -5.517 -3.549 -18.552 675 2HD ARG 91 1HD ARG 91 -5.198 -5.271 -18.760 676 HE ARG 91 HE ARG 91 -8.000 -4.524 -18.199 677 1HH1 ARG 91 2HH1 ARG 91 -6.580 -3.662 -20.903 678 2HH1 ARG 91 1HH1 ARG 91 -7.216 -4.893 -21.943 679 1HH2 ARG 91 1HH2 ARG 91 -8.384 -6.863 -19.340 680 2HH2 ARG 91 2HH2 ARG 91 -8.238 -6.704 -21.059 681 H ALA 92 H ALA 92 -6.601 -4.662 -13.891 682 HA ALA 92 HA ALA 92 -5.751 -6.731 -11.971 683 1HB ALA 92 1HB ALA 92 -8.589 -5.846 -12.517 684 2HB ALA 92 2HB ALA 92 -7.497 -4.889 -11.516 685 3HB ALA 92 3HB ALA 92 -7.926 -6.530 -11.033 686 H THR 93 H THR 93 -5.191 -8.498 -13.324 687 HA THR 93 HA THR 93 -7.394 -9.584 -15.020 688 HB THR 93 HB THR 93 -4.418 -10.161 -15.036 689 HG1 THR 93 HG1 THR 93 -4.436 -8.997 -16.891 690 1HG2 THR 93 1HG2 THR 93 -4.863 -11.578 -16.955 691 2HG2 THR 93 2HG2 THR 93 -6.579 -11.181 -16.896 692 3HG2 THR 93 3HG2 THR 93 -5.850 -12.134 -15.604 693 H GLY 94 H GLY 94 -5.651 -10.097 -12.106 694 1HA GLY 94 2HA GLY 94 -5.848 -12.959 -11.941 695 2HA GLY 94 1HA GLY 94 -5.672 -11.869 -10.564 696 H THR 95 H THR 95 -7.306 -12.290 -9.164 697 HA THR 95 HA THR 95 -10.079 -12.226 -10.224 698 HB THR 95 HB THR 95 -9.482 -14.611 -10.064 699 HG1 THR 95 HG1 THR 95 -11.484 -14.717 -9.495 700 1HG2 THR 95 1HG2 THR 95 -7.835 -14.880 -8.463 701 2HG2 THR 95 2HG2 THR 95 -9.250 -15.377 -7.535 702 3HG2 THR 95 3HG2 THR 95 -8.594 -13.754 -7.339 703 H SER 96 H SER 96 -7.884 -11.992 -7.466 704 HA SER 96 HA SER 96 -9.924 -10.267 -6.139 705 1HB SER 96 2HB SER 96 -10.119 -12.013 -4.664 706 2HB SER 96 1HB SER 96 -8.548 -12.685 -5.091 707 HG SER 96 HG SER 96 -9.243 -10.892 -3.133 708 H VAL 97 H VAL 97 -9.004 -8.565 -4.853 709 HA VAL 97 HA VAL 97 -6.497 -7.546 -5.870 710 HB VAL 97 HB VAL 97 -6.834 -5.732 -4.213 711 1HG1 VAL 97 1HG1 VAL 97 -9.041 -4.969 -5.069 712 2HG1 VAL 97 2HG1 VAL 97 -9.334 -6.589 -5.703 713 3HG1 VAL 97 3HG1 VAL 97 -8.017 -5.612 -6.354 714 1HG2 VAL 97 1HG2 VAL 97 -9.047 -5.890 -2.904 715 2HG2 VAL 97 2HG2 VAL 97 -7.704 -6.868 -2.311 716 3HG2 VAL 97 3HG2 VAL 97 -8.994 -7.618 -3.251 717 H GLU 98 H GLU 98 -7.463 -9.240 -2.924 718 HA GLU 98 HA GLU 98 -5.110 -8.806 -1.393 719 1HB GLU 98 2HB GLU 98 -7.285 -9.926 -0.650 720 2HB GLU 98 1HB GLU 98 -6.680 -11.391 -1.423 721 1HG GLU 98 2HG GLU 98 -4.611 -10.228 0.219 722 2HG GLU 98 1HG GLU 98 -6.076 -10.458 1.175 723 H GLU 99 H GLU 99 -5.881 -11.440 -3.686 724 HA GLU 99 HA GLU 99 -3.282 -12.680 -3.419 725 1HB GLU 99 2HB GLU 99 -5.005 -12.990 -5.862 726 2HB GLU 99 1HB GLU 99 -4.023 -14.200 -5.034 727 1HG GLU 99 2HG GLU 99 -5.675 -13.690 -3.026 728 2HG GLU 99 1HG GLU 99 -6.740 -13.158 -4.327 729 H ASN 100 H ASN 100 -4.706 -10.452 -5.815 730 HA ASN 100 HA ASN 100 -2.599 -10.390 -7.673 731 1HB ASN 100 2HB ASN 100 -4.842 -9.167 -7.791 732 2HB ASN 100 1HB ASN 100 -4.101 -7.919 -6.788 733 1HD2 ASN 100 1HD2 ASN 100 -4.964 -7.504 -9.554 734 2HD2 ASN 100 2HD2 ASN 100 -3.576 -7.142 -10.460 735 H LEU 101 H LEU 101 -2.844 -8.827 -4.517 736 HA LEU 101 HA LEU 101 -0.668 -7.029 -4.723 737 1HB LEU 101 2HB LEU 101 -2.033 -6.860 -2.787 738 2HB LEU 101 1HB LEU 101 -1.830 -8.567 -2.396 739 HG LEU 101 HG LEU 101 0.669 -6.975 -2.548 740 1HD1 LEU 101 1HD1 LEU 101 -1.547 -5.994 -1.048 741 2HD1 LEU 101 2HD1 LEU 101 0.117 -5.413 -1.026 742 3HD1 LEU 101 3HD1 LEU 101 -0.391 -6.674 0.099 743 1HD2 LEU 101 1HD2 LEU 101 1.410 -8.707 -1.293 744 2HD2 LEU 101 2HD2 LEU 101 -0.144 -9.474 -1.619 745 3HD2 LEU 101 3HD2 LEU 101 0.083 -8.532 -0.144 746 H LYS 102 H LYS 102 -0.681 -10.481 -3.818 747 HA LYS 102 HA LYS 102 2.186 -10.553 -3.365 748 1HB LYS 102 2HB LYS 102 0.015 -12.274 -2.896 749 2HB LYS 102 1HB LYS 102 1.045 -13.131 -4.044 750 1HG LYS 102 2HG LYS 102 2.910 -12.115 -2.323 751 2HG LYS 102 1HG LYS 102 1.561 -12.415 -1.227 752 1HD LYS 102 2HD LYS 102 1.411 -14.729 -2.406 753 2HD LYS 102 1HD LYS 102 3.047 -14.378 -2.961 754 1HE LYS 102 2HE LYS 102 2.367 -14.045 -0.054 755 2HE LYS 102 1HE LYS 102 2.705 -15.654 -0.692 756 1HZ LYS 102 1HZ LYS 102 4.696 -14.524 0.164 757 2HZ LYS 102 2HZ LYS 102 4.493 -13.303 -0.999 758 3HZ LYS 102 3HZ LYS 102 4.825 -14.897 -1.486 759 H LEU 103 H LEU 103 0.077 -11.192 -6.127 760 HA LEU 103 HA LEU 103 1.997 -12.514 -7.771 761 1HB LEU 103 2HB LEU 103 -0.651 -11.479 -8.059 762 2HB LEU 103 1HB LEU 103 0.319 -10.876 -9.403 763 HG LEU 103 HG LEU 103 1.175 -13.325 -9.589 764 1HD1 LEU 103 1HD1 LEU 103 -1.456 -14.190 -8.570 765 2HD1 LEU 103 2HD1 LEU 103 -0.332 -13.648 -7.324 766 3HD1 LEU 103 3HD1 LEU 103 0.122 -14.962 -8.410 767 1HD2 LEU 103 1HD2 LEU 103 -1.082 -13.918 -10.794 768 2HD2 LEU 103 2HD2 LEU 103 -0.121 -12.564 -11.388 769 3HD2 LEU 103 3HD2 LEU 103 -1.530 -12.265 -10.371 770 H PHE 104 H PHE 104 1.295 -9.059 -7.299 771 HA PHE 104 HA PHE 104 3.124 -8.164 -9.345 772 1HB PHE 104 2HB PHE 104 1.431 -6.626 -8.651 773 2HB PHE 104 1HB PHE 104 1.871 -6.799 -6.953 774 HD1 PHE 104 HD1 PHE 104 4.166 -5.994 -6.193 775 HD2 PHE 104 HD2 PHE 104 2.505 -5.022 -10.035 776 HE1 PHE 104 HE1 PHE 104 5.777 -4.121 -6.416 777 HE2 PHE 104 HE2 PHE 104 4.117 -3.149 -10.259 778 HZ PHE 104 HZ PHE 104 5.755 -2.699 -8.450 779 H THR 105 H THR 105 3.480 -9.004 -5.947 780 HA THR 105 HA THR 105 6.043 -7.761 -5.555 781 HB THR 105 HB THR 105 5.418 -10.278 -4.094 782 HG1 THR 105 HG1 THR 105 3.852 -7.920 -4.003 783 1HG2 THR 105 1HG2 THR 105 6.587 -7.581 -3.591 784 2HG2 THR 105 2HG2 THR 105 7.163 -9.168 -3.082 785 3HG2 THR 105 3HG2 THR 105 5.821 -8.402 -2.232 786 H GLU 106 H GLU 106 5.054 -10.827 -6.966 787 HA GLU 106 HA GLU 106 7.903 -11.668 -7.150 788 1HB GLU 106 2HB GLU 106 5.389 -13.175 -7.929 789 2HB GLU 106 1HB GLU 106 7.023 -13.835 -7.859 790 1HG GLU 106 2HG GLU 106 5.543 -12.659 -5.487 791 2HG GLU 106 1HG GLU 106 5.680 -14.385 -5.826 792 H GLY 107 H GLY 107 6.190 -9.591 -8.819 793 1HA GLY 107 2HA GLY 107 6.101 -8.915 -11.069 794 2HA GLY 107 1HA GLY 107 7.664 -9.724 -11.210 795 H ASN 108 H ASN 108 4.274 -10.784 -10.770 796 HA ASN 108 HA ASN 108 4.764 -13.138 -12.438 797 1HB ASN 108 2HB ASN 108 2.848 -12.354 -10.479 798 2HB ASN 108 1HB ASN 108 1.971 -12.703 -11.970 799 1HD2 ASN 108 1HD2 ASN 108 5.021 -14.218 -10.833 800 2HD2 ASN 108 2HD2 ASN 108 4.386 -15.789 -10.741 801 H LEU 109 H LEU 109 2.540 -10.327 -12.674 802 HA LEU 109 HA LEU 109 3.071 -9.819 -15.416 803 1HB LEU 109 2HB LEU 109 1.754 -12.204 -15.203 804 2HB LEU 109 1HB LEU 109 0.402 -11.084 -15.377 805 HG LEU 109 HG LEU 109 2.320 -10.223 -17.244 806 1HD1 LEU 109 1HD1 LEU 109 1.864 -13.001 -18.068 807 2HD1 LEU 109 2HD1 LEU 109 2.917 -12.864 -16.661 808 3HD1 LEU 109 3HD1 LEU 109 3.334 -12.031 -18.157 809 1HD2 LEU 109 1HD2 LEU 109 -0.404 -10.998 -17.109 810 2HD2 LEU 109 2HD2 LEU 109 0.306 -11.907 -18.442 811 3HD2 LEU 109 3HD2 LEU 109 0.402 -10.146 -18.426 812 H GLU 110 H GLU 110 0.277 -9.262 -16.147 813 HA GLU 110 HA GLU 110 -1.266 -7.513 -15.904 814 1HB GLU 110 2HB GLU 110 -0.584 -7.729 -12.958 815 2HB GLU 110 1HB GLU 110 -2.050 -7.041 -13.658 816 1HG GLU 110 2HG GLU 110 -2.929 -9.109 -14.208 817 2HG GLU 110 1HG GLU 110 -1.339 -9.856 -14.371 818 H GLU 111 H GLU 111 1.705 -7.023 -16.142 819 HA GLU 111 HA GLU 111 1.870 -4.348 -14.833 820 1HB GLU 111 2HB GLU 111 4.309 -4.515 -15.590 821 2HB GLU 111 1HB GLU 111 3.807 -5.660 -14.345 822 1HG GLU 111 2HG GLU 111 3.559 -7.429 -15.963 823 2HG GLU 111 1HG GLU 111 3.794 -6.307 -17.303 824 H ILE 112 H ILE 112 1.884 -2.505 -16.080 825 HA ILE 112 HA ILE 112 2.400 -2.683 -18.976 826 HB ILE 112 HB ILE 112 -0.294 -1.932 -17.816 827 1HG1 ILE 112 2HG1 ILE 112 -0.737 -3.501 -19.989 828 2HG1 ILE 112 1HG1 ILE 112 0.827 -4.127 -19.469 829 1HG2 ILE 112 1HG2 ILE 112 1.065 -1.090 -20.337 830 2HG2 ILE 112 2HG2 ILE 112 -0.125 -0.230 -19.362 831 3HG2 ILE 112 3HG2 ILE 112 -0.641 -1.524 -20.442 832 1HD1 ILE 112 1HD1 ILE 112 -0.563 -5.428 -18.157 833 2HD1 ILE 112 2HD1 ILE 112 -1.804 -4.179 -18.050 834 3HD1 ILE 112 3HD1 ILE 112 -0.339 -4.054 -17.076 835 H ARG 113 H ARG 113 3.316 -0.789 -19.688 836 HA ARG 113 HA ARG 113 2.981 1.643 -17.990 837 1HB ARG 113 2HB ARG 113 5.197 0.310 -17.649 838 2HB ARG 113 1HB ARG 113 5.638 0.955 -19.231 839 1HG ARG 113 2HG ARG 113 5.360 3.232 -18.448 840 2HG ARG 113 1HG ARG 113 4.720 2.666 -16.904 841 1HD ARG 113 2HD ARG 113 6.966 3.114 -16.391 842 2HD ARG 113 1HD ARG 113 6.984 1.381 -16.713 843 HE ARG 113 HE ARG 113 7.708 3.336 -18.854 844 1HH1 ARG 113 1HH2 ARG 113 7.743 0.128 -17.885 845 2HH1 ARG 113 2HH2 ARG 113 9.399 -0.166 -18.301 846 1HH2 ARG 113 2HH1 ARG 113 10.097 3.164 -18.968 847 2HH2 ARG 113 1HH1 ARG 113 10.732 1.553 -18.915 848 H SER 114 H SER 114 4.140 0.348 -21.106 849 HA SER 114 HA SER 114 3.110 2.852 -22.376 850 1HB SER 114 2HB SER 114 5.332 3.210 -22.815 851 2HB SER 114 1HB SER 114 5.749 1.509 -22.625 852 HG SER 114 HG SER 114 5.673 1.399 -24.713 853 HA PRO 115 HA PRO 115 1.055 -0.808 -24.237 854 1HB PRO 115 2HB PRO 115 -1.466 0.279 -24.105 855 2HB PRO 115 1HB PRO 115 -0.734 -0.656 -22.790 856 1HG PRO 115 2HG PRO 115 -1.157 2.290 -22.988 857 2HG PRO 115 1HG PRO 115 -1.044 1.267 -21.546 858 1HD PRO 115 2HD PRO 115 1.012 2.920 -22.570 859 2HD PRO 115 1HD PRO 115 1.208 1.648 -21.346 860 H GLY 116 H GLY 116 -0.963 -0.390 -26.022 861 1HA GLY 116 2HA GLY 116 -1.198 0.239 -28.284 862 2HA GLY 116 1HA GLY 116 -1.092 1.869 -27.619 863 H SER 117 H SER 117 0.883 -0.813 -28.856 864 HA SER 117 HA SER 117 3.046 1.174 -29.414 865 1HB SER 117 2HB SER 117 3.067 -1.581 -28.430 866 2HB SER 117 1HB SER 117 4.126 -1.357 -29.820 867 HG SER 117 HG SER 117 4.450 -0.548 -27.277 868 H GLY 118 H GLY 118 1.982 -1.957 -30.799 869 1HA GLY 118 2HA GLY 118 0.883 -1.619 -33.133 870 2HA GLY 118 1HA GLY 118 2.376 -0.753 -33.502 871 H ARG 119 H ARG 119 1.093 -3.932 -32.579 872 HA ARG 119 HA ARG 119 3.350 -5.163 -34.069 873 1HB ARG 119 2HB ARG 119 3.292 -5.097 -31.277 874 2HB ARG 119 1HB ARG 119 2.679 -6.700 -31.683 875 1HG ARG 119 2HG ARG 119 4.749 -6.544 -33.424 876 2HG ARG 119 1HG ARG 119 5.378 -5.544 -32.114 877 1HD ARG 119 2HD ARG 119 6.007 -7.508 -31.171 878 2HD ARG 119 1HD ARG 119 4.304 -7.678 -30.744 879 HE ARG 119 HE ARG 119 4.204 -9.448 -32.285 880 1HH1 ARG 119 2HH1 ARG 119 7.200 -9.668 -32.273 881 2HH1 ARG 119 1HH1 ARG 119 7.577 -9.534 -33.958 882 1HH2 ARG 119 1HH2 ARG 119 4.482 -8.232 -34.819 883 2HH2 ARG 119 2HH2 ARG 119 6.038 -8.721 -35.399 884 H GLY 120 H GLY 120 1.464 -5.394 -35.583 885 1HA GLY 120 2HA GLY 120 0.469 -7.634 -36.335 886 2HA GLY 120 1HA GLY 120 -0.331 -7.642 -34.763 887 H ARG 121 H ARG 121 -1.861 -7.754 -37.085 888 HA ARG 121 HA ARG 121 -3.154 -5.058 -37.044 889 1HB ARG 121 2HB ARG 121 -1.941 -5.459 -39.194 890 2HB ARG 121 1HB ARG 121 -2.941 -6.887 -39.454 891 1HG ARG 121 2HG ARG 121 -4.936 -5.587 -39.608 892 2HG ARG 121 1HG ARG 121 -4.131 -4.148 -38.980 893 1HD ARG 121 2HD ARG 121 -2.611 -4.915 -41.212 894 2HD ARG 121 1HD ARG 121 -4.290 -5.106 -41.715 895 HE ARG 121 HE ARG 121 -4.203 -2.618 -40.457 896 1HH1 ARG 121 2HH1 ARG 121 -4.873 -2.897 -43.345 897 2HH1 ARG 121 1HH1 ARG 121 -3.588 -2.028 -44.114 898 1HH2 ARG 121 1HH2 ARG 121 -1.542 -2.048 -41.313 899 2HH2 ARG 121 2HH2 ARG 121 -1.703 -1.546 -42.964 900 H ARG 122 H ARG 122 -4.890 -5.564 -35.726 901 HA ARG 122 HA ARG 122 -6.246 -7.955 -35.403 902 1HB ARG 122 2HB ARG 122 -6.766 -5.218 -34.827 903 2HB ARG 122 1HB ARG 122 -8.224 -5.878 -35.573 904 1HG ARG 122 2HG ARG 122 -8.674 -6.632 -33.471 905 2HG ARG 122 1HG ARG 122 -7.536 -7.914 -33.887 906 1HD ARG 122 2HD ARG 122 -5.868 -5.862 -33.078 907 2HD ARG 122 1HD ARG 122 -7.239 -5.705 -31.979 908 HE ARG 122 HE ARG 122 -6.843 -8.278 -31.635 909 1HH1 ARG 122 1HH2 ARG 122 -4.288 -7.981 -33.339 910 2HH1 ARG 122 2HH2 ARG 122 -3.086 -7.902 -32.094 911 1HH2 ARG 122 2HH1 ARG 122 -5.371 -7.269 -29.564 912 2HH2 ARG 122 1HH1 ARG 122 -3.700 -7.501 -29.956 913 H ARG 123 H ARG 123 -7.828 -9.095 -36.536 914 HA ARG 123 HA ARG 123 -8.161 -8.314 -39.380 915 1HB ARG 123 2HB ARG 123 -7.708 -10.759 -38.144 916 2HB ARG 123 1HB ARG 123 -9.430 -10.813 -38.527 917 1HG ARG 123 2HG ARG 123 -8.418 -11.633 -40.489 918 2HG ARG 123 1HG ARG 123 -8.713 -9.935 -40.866 919 1HD ARG 123 2HD ARG 123 -6.466 -10.314 -41.532 920 2HD ARG 123 1HD ARG 123 -6.339 -9.500 -39.972 921 HE ARG 123 HE ARG 123 -6.383 -12.346 -39.583 922 1HH1 ARG 123 1HH2 ARG 123 -4.447 -10.018 -41.194 923 2HH1 ARG 123 2HH2 ARG 123 -2.945 -10.653 -40.608 924 1HH2 ARG 123 2HH1 ARG 123 -4.438 -13.063 -38.610 925 2HH2 ARG 123 1HH1 ARG 123 -2.940 -12.377 -39.147 926 H ARG 124 HN ARG 124 -10.173 -7.819 -40.257 927 HA ARG 124 HA ARG 124 -12.374 -6.993 -40.211 928 1HB ARG 124 2HB ARG 124 -12.480 -9.486 -38.518 929 2HB ARG 124 1HB ARG 124 -13.925 -8.506 -38.772 930 1HG ARG 124 2HG ARG 124 -12.206 -9.513 -41.050 931 2HG ARG 124 1HG ARG 124 -13.597 -10.405 -40.434 932 1HD ARG 124 2HD ARG 124 -13.734 -7.537 -41.400 933 2HD ARG 124 1HD ARG 124 -14.127 -8.931 -42.406 934 HE ARG 124 HE ARG 124 -15.982 -9.422 -40.818 935 1HH1 ARG 124 1HH1 ARG 124 -16.259 -6.601 -42.046 936 2HH1 ARG 124 2HH1 ARG 124 -16.753 -5.700 -40.652 937 1HH2 ARG 124 1HH2 ARG 124 -15.818 -8.165 -38.399 938 2HH2 ARG 124 2HH2 ARG 124 -16.499 -6.584 -38.587 Start of MODEL 3 1 1H MET 1 1H MET 1 9.681 0.771 -3.482 2 2H MET 1 2H MET 1 8.703 1.883 -2.650 3 3H MET 1 3H MET 1 9.666 2.401 -3.950 4 HA MET 1 HA MET 1 7.828 2.188 -5.177 5 1HB MET 1 2HB MET 1 8.222 -0.781 -4.734 6 2HB MET 1 1HB MET 1 7.607 0.023 -6.178 7 1HG MET 1 2HG MET 1 10.297 0.879 -5.268 8 2HG MET 1 1HG MET 1 10.186 -0.760 -5.911 9 1HE MET 1 1HE MET 1 9.683 -1.441 -8.180 10 2HE MET 1 2HE MET 1 8.984 -0.446 -9.456 11 3HE MET 1 3HE MET 1 8.036 -0.815 -8.017 12 H LYS 2 H LYS 2 5.603 2.183 -4.987 13 HA LYS 2 HA LYS 2 4.475 0.801 -2.584 14 1HB LYS 2 2HB LYS 2 3.806 3.492 -3.795 15 2HB LYS 2 1HB LYS 2 2.727 2.668 -2.668 16 1HG LYS 2 2HG LYS 2 4.072 3.080 -0.876 17 2HG LYS 2 1HG LYS 2 5.551 2.817 -1.803 18 1HD LYS 2 2HD LYS 2 5.555 5.017 -2.651 19 2HD LYS 2 1HD LYS 2 3.850 5.263 -2.267 20 1HE LYS 2 2HE LYS 2 5.384 4.599 0.114 21 2HE LYS 2 1HE LYS 2 6.034 6.029 -0.690 22 1HZ LYS 2 1HZ LYS 2 4.249 7.224 -0.153 23 2HZ LYS 2 2HZ LYS 2 3.893 5.995 0.965 24 3HZ LYS 2 3HZ LYS 2 3.164 5.988 -0.569 25 H ILE 3 H ILE 3 2.692 -0.478 -2.941 26 HA ILE 3 HA ILE 3 1.631 -0.531 -5.738 27 HB ILE 3 HB ILE 3 1.710 -2.775 -3.696 28 1HG1 ILE 3 2HG1 ILE 3 3.205 -3.058 -6.212 29 2HG1 ILE 3 1HG1 ILE 3 3.818 -1.769 -5.176 30 1HG2 ILE 3 1HG2 ILE 3 0.859 -4.175 -5.446 31 2HG2 ILE 3 2HG2 ILE 3 1.066 -2.903 -6.651 32 3HG2 ILE 3 3HG2 ILE 3 -0.177 -2.748 -5.409 33 1HD1 ILE 3 1HD1 ILE 3 4.025 -4.648 -4.836 34 2HD1 ILE 3 2HD1 ILE 3 3.286 -3.890 -3.426 35 3HD1 ILE 3 3HD1 ILE 3 4.874 -3.361 -3.979 36 H ALA 4 H ALA 4 -0.283 0.573 -5.704 37 HA ALA 4 HA ALA 4 -2.126 0.080 -3.402 38 1HB ALA 4 1HB ALA 4 -2.960 2.249 -3.635 39 2HB ALA 4 2HB ALA 4 -2.469 2.363 -5.326 40 3HB ALA 4 3HB ALA 4 -1.260 2.481 -4.047 41 H ILE 5 H ILE 5 -3.960 -1.043 -3.864 42 HA ILE 5 HA ILE 5 -4.609 -1.501 -6.736 43 HB ILE 5 HB ILE 5 -5.654 -2.992 -4.312 44 1HG1 ILE 5 2HG1 ILE 5 -3.321 -3.622 -6.151 45 2HG1 ILE 5 1HG1 ILE 5 -3.214 -3.220 -4.437 46 1HG2 ILE 5 1HG2 ILE 5 -7.057 -3.800 -5.897 47 2HG2 ILE 5 2HG2 ILE 5 -5.649 -4.659 -6.521 48 3HG2 ILE 5 3HG2 ILE 5 -6.107 -3.101 -7.208 49 1HD1 ILE 5 1HD1 ILE 5 -3.662 -5.785 -5.630 50 2HD1 ILE 5 2HD1 ILE 5 -5.098 -5.344 -4.706 51 3HD1 ILE 5 3HD1 ILE 5 -3.520 -5.385 -3.919 52 H ALA 6 H ALA 6 -6.610 -0.913 -7.556 53 HA ALA 6 HA ALA 6 -8.148 1.034 -6.024 54 1HB ALA 6 1HB ALA 6 -9.250 -0.113 -8.541 55 2HB ALA 6 2HB ALA 6 -7.715 0.746 -8.666 56 3HB ALA 6 3HB ALA 6 -9.137 1.571 -8.029 57 H SER 7 H SER 7 -10.633 0.751 -5.969 58 HA SER 7 HA SER 7 -12.373 -0.427 -4.903 59 1HB SER 7 2HB SER 7 -13.106 -2.341 -6.135 60 2HB SER 7 1HB SER 7 -12.336 -1.280 -7.312 61 HG SER 7 HG SER 7 -10.594 -2.586 -7.360 62 H SER 8 H SER 8 -12.168 -3.508 -4.786 63 HA SER 8 HA SER 8 -11.441 -5.097 -3.224 64 1HB SER 8 2HB SER 8 -9.196 -4.593 -4.136 65 2HB SER 8 1HB SER 8 -9.043 -3.248 -3.011 66 HG SER 8 HG SER 8 -9.719 -5.758 -1.990 67 H GLY 9 H GLY 9 -13.303 -3.400 -2.253 68 1HA GLY 9 2HA GLY 9 -12.719 -1.756 -0.064 69 2HA GLY 9 1HA GLY 9 -14.195 -2.715 -0.189 70 H THR 10 H THR 10 -11.249 -2.352 1.480 71 HA THR 10 HA THR 10 -10.193 -3.642 3.137 72 HB THR 10 HB THR 10 -11.941 -4.965 4.539 73 HG1 THR 10 HG1 THR 10 -14.020 -4.602 4.030 74 1HG2 THR 10 1HG2 THR 10 -11.485 -3.030 5.635 75 2HG2 THR 10 2HG2 THR 10 -13.035 -2.494 4.987 76 3HG2 THR 10 3HG2 THR 10 -11.538 -2.072 4.156 77 H ASP 11 H ASP 11 -12.674 -6.098 2.743 78 HA ASP 11 HA ASP 11 -11.474 -7.771 0.826 79 1HB ASP 11 2HB ASP 11 -9.776 -7.535 3.005 80 2HB ASP 11 1HB ASP 11 -10.639 -9.039 3.333 81 H LEU 12 H LEU 12 -11.716 -10.261 2.422 82 HA LEU 12 HA LEU 12 -13.391 -11.725 3.185 83 1HB LEU 12 2HB LEU 12 -13.872 -9.749 4.756 84 2HB LEU 12 1HB LEU 12 -15.144 -9.299 3.620 85 HG LEU 12 HG LEU 12 -15.951 -11.742 3.847 86 1HD1 LEU 12 1HD1 LEU 12 -14.263 -11.514 6.358 87 2HD1 LEU 12 2HD1 LEU 12 -13.880 -12.539 4.976 88 3HD1 LEU 12 3HD1 LEU 12 -15.325 -12.857 5.935 89 1HD2 LEU 12 1HD2 LEU 12 -17.088 -11.175 6.061 90 2HD2 LEU 12 2HD2 LEU 12 -17.267 -9.969 4.786 91 3HD2 LEU 12 3HD2 LEU 12 -16.107 -9.711 6.089 92 H GLY 13 H GLY 13 -13.310 -10.191 0.422 93 1HA GLY 13 2HA GLY 13 -14.816 -11.662 -1.213 94 2HA GLY 13 1HA GLY 13 -16.093 -10.708 -0.455 95 H SER 14 H SER 14 -14.122 -8.399 -0.222 96 HA SER 14 HA SER 14 -14.792 -7.180 -2.784 97 1HB SER 14 2HB SER 14 -13.038 -6.144 -0.538 98 2HB SER 14 1HB SER 14 -13.685 -5.191 -1.870 99 HG SER 14 HG SER 14 -15.686 -5.382 -1.051 100 H GLU 15 H GLU 15 -13.585 -8.651 -4.200 101 HA GLU 15 HA GLU 15 -10.702 -8.858 -3.986 102 1HB GLU 15 2HB GLU 15 -10.945 -9.733 -6.386 103 2HB GLU 15 1HB GLU 15 -11.797 -10.634 -5.133 104 1HG GLU 15 2HG GLU 15 -13.835 -10.091 -5.966 105 2HG GLU 15 1HG GLU 15 -13.365 -8.416 -6.258 106 H VAL 16 H VAL 16 -11.369 -8.083 -7.214 107 HA VAL 16 HA VAL 16 -10.285 -5.331 -6.782 108 HB VAL 16 HB VAL 16 -9.973 -6.974 -9.301 109 1HG1 VAL 16 1HG1 VAL 16 -8.702 -5.244 -10.032 110 2HG1 VAL 16 2HG1 VAL 16 -7.910 -5.050 -8.467 111 3HG1 VAL 16 3HG1 VAL 16 -9.487 -4.315 -8.755 112 1HG2 VAL 16 1HG2 VAL 16 -8.711 -8.366 -8.001 113 2HG2 VAL 16 2HG2 VAL 16 -8.583 -7.188 -6.695 114 3HG2 VAL 16 3HG2 VAL 16 -7.523 -7.066 -8.099 115 H SER 17 H SER 17 -13.153 -6.356 -7.013 116 HA SER 17 HA SER 17 -15.125 -5.779 -8.165 117 1HB SER 17 2HB SER 17 -14.136 -3.566 -7.206 118 2HB SER 17 1HB SER 17 -13.710 -3.216 -8.879 119 HG SER 17 HG SER 17 -15.984 -2.753 -7.786 120 H ARG 18 H ARG 18 -15.171 -3.883 -10.457 121 HA ARG 18 HA ARG 18 -13.643 -5.365 -12.524 122 1HB ARG 18 2HB ARG 18 -16.361 -5.900 -12.001 123 2HB ARG 18 1HB ARG 18 -16.346 -4.900 -13.454 124 1HG ARG 18 2HG ARG 18 -15.672 -6.669 -14.666 125 2HG ARG 18 1HG ARG 18 -14.219 -6.793 -13.674 126 1HD ARG 18 2HD ARG 18 -15.011 -8.629 -12.639 127 2HD ARG 18 1HD ARG 18 -16.511 -7.801 -12.223 128 HE ARG 18 HE ARG 18 -17.237 -8.413 -14.620 129 1HH1 ARG 18 1HH2 ARG 18 -17.392 -10.697 -12.655 130 2HH1 ARG 18 2HH2 ARG 18 -16.587 -11.962 -13.522 131 1HH2 ARG 18 2HH1 ARG 18 -15.117 -9.817 -15.817 132 2HH2 ARG 18 1HH1 ARG 18 -15.299 -11.464 -15.311 133 H PHE 19 H PHE 19 -14.143 -2.516 -11.232 134 HA PHE 19 HA PHE 19 -13.705 -1.098 -13.774 135 1HB PHE 19 2HB PHE 19 -15.497 0.535 -13.387 136 2HB PHE 19 1HB PHE 19 -16.173 -1.089 -13.526 137 HD1 PHE 19 HD1 PHE 19 -15.076 1.486 -11.057 138 HD2 PHE 19 HD2 PHE 19 -17.407 -2.057 -11.751 139 HE1 PHE 19 HE1 PHE 19 -16.092 1.712 -8.804 140 HE2 PHE 19 HE2 PHE 19 -18.422 -1.832 -9.500 141 HZ PHE 19 HZ PHE 19 -17.765 0.053 -8.026 142 H PHE 20 H PHE 20 -12.542 0.818 -13.467 143 HA PHE 20 HA PHE 20 -11.868 1.489 -10.629 144 1HB PHE 20 2HB PHE 20 -9.927 0.430 -11.575 145 2HB PHE 20 1HB PHE 20 -10.073 1.360 -13.066 146 HD1 PHE 20 HD1 PHE 20 -7.906 2.426 -12.997 147 HD2 PHE 20 HD2 PHE 20 -10.616 2.751 -9.677 148 HE1 PHE 20 HE1 PHE 20 -6.492 4.215 -12.018 149 HE2 PHE 20 HE2 PHE 20 -9.202 4.539 -8.698 150 HZ PHE 20 HZ PHE 20 -7.141 5.272 -9.868 151 H GLY 21 H GLY 21 -13.415 3.211 -10.620 152 1HA GLY 21 2HA GLY 21 -12.489 5.612 -12.097 153 2HA GLY 21 1HA GLY 21 -14.171 5.124 -12.307 154 H ARG 22 H ARG 22 -15.435 4.871 -10.209 155 HA ARG 22 HA ARG 22 -14.587 7.022 -8.313 156 1HB ARG 22 2HB ARG 22 -17.047 7.123 -7.745 157 2HB ARG 22 1HB ARG 22 -16.664 7.595 -9.401 158 1HG ARG 22 2HG ARG 22 -17.255 5.346 -10.196 159 2HG ARG 22 1HG ARG 22 -17.610 4.846 -8.543 160 1HD ARG 22 2HD ARG 22 -19.714 5.592 -8.829 161 2HD ARG 22 1HD ARG 22 -19.066 7.227 -8.956 162 HE ARG 22 HE ARG 22 -19.308 7.098 -11.317 163 1HH1 ARG 22 1HH2 ARG 22 -19.085 3.941 -10.041 164 2HH1 ARG 22 2HH2 ARG 22 -19.987 3.199 -11.320 165 1HH2 ARG 22 2HH1 ARG 22 -20.774 6.202 -12.865 166 2HH2 ARG 22 1HH1 ARG 22 -20.943 4.479 -12.919 167 H ALA 23 H ALA 23 -13.995 4.009 -8.334 168 HA ALA 23 HA ALA 23 -15.438 2.716 -6.267 169 1HB ALA 23 1HB ALA 23 -13.136 1.517 -5.923 170 2HB ALA 23 2HB ALA 23 -12.642 2.446 -7.339 171 3HB ALA 23 3HB ALA 23 -13.988 1.312 -7.453 172 HA PRO 24 HA PRO 24 -13.954 5.433 -2.996 173 1HB PRO 24 2HB PRO 24 -15.868 4.654 -1.188 174 2HB PRO 24 1HB PRO 24 -16.159 5.849 -2.464 175 1HG PRO 24 2HG PRO 24 -17.089 3.025 -2.297 176 2HG PRO 24 1HG PRO 24 -17.799 4.389 -3.174 177 1HD PRO 24 2HD PRO 24 -16.222 2.306 -4.296 178 2HD PRO 24 1HD PRO 24 -16.710 3.811 -5.104 179 H TYR 25 H TYR 25 -12.351 3.224 -3.340 180 HA TYR 25 HA TYR 25 -11.819 2.412 -0.589 181 1HB TYR 25 2HB TYR 25 -12.923 0.484 -2.619 182 2HB TYR 25 1HB TYR 25 -11.801 -0.083 -1.382 183 HD1 TYR 25 HD1 TYR 25 -12.342 0.411 1.070 184 HD2 TYR 25 HD2 TYR 25 -15.201 0.878 -2.105 185 HE1 TYR 25 HE1 TYR 25 -14.189 0.371 2.727 186 HE2 TYR 25 HE2 TYR 25 -17.047 0.837 -0.447 187 HH TYR 25 HH TYR 25 -17.039 -0.333 2.285 188 H PHE 26 H PHE 26 -9.997 3.783 -1.552 189 HA PHE 26 HA PHE 26 -8.261 2.480 -3.508 190 1HB PHE 26 2HB PHE 26 -8.408 4.947 -3.350 191 2HB PHE 26 1HB PHE 26 -7.752 4.874 -1.714 192 HD1 PHE 26 HD1 PHE 26 -6.909 3.285 -5.017 193 HD2 PHE 26 HD2 PHE 26 -5.509 5.477 -1.595 194 HE1 PHE 26 HE1 PHE 26 -4.607 3.261 -5.943 195 HE2 PHE 26 HE2 PHE 26 -3.208 5.453 -2.521 196 HZ PHE 26 HZ PHE 26 -2.756 4.344 -4.695 197 H MET 27 H MET 27 -7.318 0.607 -2.774 198 HA MET 27 HA MET 27 -6.382 0.375 -0.001 199 1HB MET 27 2HB MET 27 -7.128 -1.434 -2.021 200 2HB MET 27 1HB MET 27 -5.398 -1.687 -1.793 201 1HG MET 27 2HG MET 27 -5.869 -1.764 0.712 202 2HG MET 27 1HG MET 27 -7.581 -1.843 0.295 203 1HE MET 27 1HE MET 27 -8.542 -3.638 0.759 204 2HE MET 27 2HE MET 27 -7.371 -4.495 1.758 205 3HE MET 27 3HE MET 27 -8.147 -5.327 0.413 206 H ILE 28 H ILE 28 -4.373 1.001 0.641 207 HA ILE 28 HA ILE 28 -2.275 1.287 -1.476 208 HB ILE 28 HB ILE 28 -2.835 3.488 -0.712 209 1HG1 ILE 28 2HG1 ILE 28 -0.750 4.219 0.287 210 2HG1 ILE 28 1HG1 ILE 28 -0.433 2.600 0.914 211 1HG2 ILE 28 1HG2 ILE 28 -4.036 3.371 1.245 212 2HG2 ILE 28 2HG2 ILE 28 -2.465 3.774 1.935 213 3HG2 ILE 28 3HG2 ILE 28 -3.017 2.100 1.918 214 1HD1 ILE 28 1HD1 ILE 28 0.299 1.827 -1.100 215 2HD1 ILE 28 2HD1 ILE 28 0.555 3.535 -1.454 216 3HD1 ILE 28 3HD1 ILE 28 -0.918 2.732 -1.999 217 H VAL 29 H VAL 29 -0.779 -0.295 -1.209 218 HA VAL 29 HA VAL 29 -0.084 -1.092 1.591 219 HB VAL 29 HB VAL 29 0.311 -2.853 -0.829 220 1HG1 VAL 29 1HG1 VAL 29 -0.153 -3.510 2.093 221 2HG1 VAL 29 2HG1 VAL 29 1.448 -3.330 1.375 222 3HG1 VAL 29 3HG1 VAL 29 0.373 -4.614 0.823 223 1HG2 VAL 29 1HG2 VAL 29 -1.917 -3.856 0.418 224 2HG2 VAL 29 2HG2 VAL 29 -1.958 -2.854 -1.033 225 3HG2 VAL 29 3HG2 VAL 29 -2.195 -2.120 0.553 226 H GLU 30 H GLU 30 2.127 -1.246 2.082 227 HA GLU 30 HA GLU 30 3.973 -0.256 -0.055 228 1HB GLU 30 2HB GLU 30 3.427 0.807 2.520 229 2HB GLU 30 1HB GLU 30 5.048 0.116 2.587 230 1HG GLU 30 2HG GLU 30 5.224 1.345 0.203 231 2HG GLU 30 1HG GLU 30 4.026 2.392 0.965 232 H MET 31 H MET 31 5.786 -1.485 -0.450 233 HA MET 31 HA MET 31 6.228 -3.835 1.352 234 1HB MET 31 2HB MET 31 5.740 -3.711 -1.485 235 2HB MET 31 1HB MET 31 7.355 -4.359 -1.197 236 1HG MET 31 2HG MET 31 6.296 -5.910 0.523 237 2HG MET 31 1HG MET 31 4.729 -5.391 -0.102 238 1HE MET 31 1HE MET 31 3.702 -6.873 -0.830 239 2HE MET 31 2HE MET 31 4.236 -8.401 -1.530 240 3HE MET 31 3HE MET 31 3.729 -7.084 -2.587 241 H LYS 32 H LYS 32 8.265 -4.019 2.182 242 HA LYS 32 HA LYS 32 10.221 -1.925 1.558 243 1HB LYS 32 2HB LYS 32 9.895 -4.041 3.618 244 2HB LYS 32 1HB LYS 32 11.555 -3.597 3.222 245 1HG LYS 32 2HG LYS 32 9.540 -1.425 3.696 246 2HG LYS 32 1HG LYS 32 10.248 -2.259 5.081 247 1HD LYS 32 2HD LYS 32 12.385 -1.470 4.641 248 2HD LYS 32 1HD LYS 32 12.071 -1.281 2.916 249 1HE LYS 32 2HE LYS 32 10.636 0.654 3.361 250 2HE LYS 32 1HE LYS 32 10.865 0.446 5.098 251 1HZ LYS 32 1HZ LYS 32 12.444 1.912 3.381 252 2HZ LYS 32 2HZ LYS 32 13.360 0.529 3.750 253 3HZ LYS 32 3HZ LYS 32 12.781 1.527 4.998 254 H LYS 33 H LYS 33 10.936 -5.379 1.989 255 HA LYS 33 HA LYS 33 12.302 -5.330 -0.672 256 1HB LYS 33 2HB LYS 33 13.348 -6.000 2.009 257 2HB LYS 33 1HB LYS 33 13.732 -7.181 0.756 258 1HG LYS 33 2HG LYS 33 14.078 -4.313 0.036 259 2HG LYS 33 1HG LYS 33 15.238 -4.989 1.179 260 1HD LYS 33 2HD LYS 33 15.061 -6.975 -0.728 261 2HD LYS 33 1HD LYS 33 14.932 -5.506 -1.695 262 1HE LYS 33 2HE LYS 33 17.209 -5.527 -1.588 263 2HE LYS 33 1HE LYS 33 16.949 -4.815 0.005 264 1HZ LYS 33 1HZ LYS 33 16.935 -7.741 -0.321 265 2HZ LYS 33 2HZ LYS 33 17.297 -6.816 1.057 266 3HZ LYS 33 3HZ LYS 33 18.412 -6.912 -0.222 267 H GLY 34 H GLY 34 10.410 -6.372 -1.572 268 1HA GLY 34 2HA GLY 34 9.028 -8.207 -2.086 269 2HA GLY 34 1HA GLY 34 10.486 -9.157 -1.787 270 H ASN 35 H ASN 35 8.864 -7.183 0.648 271 HA ASN 35 HA ASN 35 7.672 -9.586 1.895 272 1HB ASN 35 2HB ASN 35 10.125 -8.257 2.830 273 2HB ASN 35 1HB ASN 35 8.886 -8.412 4.076 274 1HD2 ASN 35 1HD2 ASN 35 7.685 -10.850 3.431 275 2HD2 ASN 35 2HD2 ASN 35 8.826 -12.102 3.534 276 H ILE 36 H ILE 36 5.609 -8.695 1.845 277 HA ILE 36 HA ILE 36 4.806 -6.057 2.137 278 HB ILE 36 HB ILE 36 3.232 -7.913 1.703 279 1HG1 ILE 36 2HG1 ILE 36 2.637 -6.238 4.163 280 2HG1 ILE 36 1HG1 ILE 36 2.275 -5.820 2.488 281 1HG2 ILE 36 1HG2 ILE 36 2.680 -8.733 4.383 282 2HG2 ILE 36 2HG2 ILE 36 4.411 -8.931 4.105 283 3HG2 ILE 36 3HG2 ILE 36 3.249 -9.723 3.039 284 1HD1 ILE 36 1HD1 ILE 36 0.730 -7.428 4.339 285 2HD1 ILE 36 2HD1 ILE 36 1.121 -8.355 2.890 286 3HD1 ILE 36 3HD1 ILE 36 0.271 -6.815 2.749 287 H GLU 37 H GLU 37 4.758 -4.587 3.799 288 HA GLU 37 HA GLU 37 5.094 -5.548 6.583 289 1HB GLU 37 2HB GLU 37 6.951 -3.997 7.001 290 2HB GLU 37 1HB GLU 37 7.387 -5.129 5.721 291 1HG GLU 37 2HG GLU 37 7.772 -3.402 4.335 292 2HG GLU 37 1HG GLU 37 6.084 -2.912 4.493 293 H SER 38 H SER 38 3.091 -4.061 4.761 294 HA SER 38 HA SER 38 1.999 -2.349 6.757 295 1HB SER 38 2HB SER 38 4.094 -1.042 5.953 296 2HB SER 38 1HB SER 38 3.171 -0.752 4.481 297 HG SER 38 HG SER 38 2.985 0.827 6.283 298 H SER 39 H SER 39 -0.133 -2.184 6.250 299 HA SER 39 HA SER 39 -0.972 -1.929 3.432 300 1HB SER 39 2HB SER 39 -2.463 -3.868 3.527 301 2HB SER 39 1HB SER 39 -0.804 -4.382 3.822 302 HG SER 39 HG SER 39 -1.422 -5.039 5.711 303 H GLU 40 H GLU 40 -2.363 -0.237 3.552 304 HA GLU 40 HA GLU 40 -4.359 -0.236 5.775 305 1HB GLU 40 2HB GLU 40 -2.258 1.578 5.537 306 2HB GLU 40 1HB GLU 40 -3.635 2.437 4.848 307 1HG GLU 40 2HG GLU 40 -4.688 1.194 7.111 308 2HG GLU 40 1HG GLU 40 -3.095 1.748 7.630 309 H VAL 41 H VAL 41 -6.430 0.063 5.066 310 HA VAL 41 HA VAL 41 -6.814 0.618 2.172 311 HB VAL 41 HB VAL 41 -9.147 -0.162 2.602 312 1HG1 VAL 41 1HG1 VAL 41 -6.809 -1.659 2.464 313 2HG1 VAL 41 2HG1 VAL 41 -8.445 -2.287 2.265 314 3HG1 VAL 41 3HG1 VAL 41 -7.660 -2.357 3.842 315 1HG2 VAL 41 1HG2 VAL 41 -8.709 -1.389 5.155 316 2HG2 VAL 41 2HG2 VAL 41 -9.934 -0.199 4.712 317 3HG2 VAL 41 3HG2 VAL 41 -8.360 0.334 5.302 318 H ILE 42 H ILE 42 -7.871 2.460 1.466 319 HA ILE 42 HA ILE 42 -8.876 4.319 3.586 320 HB ILE 42 HB ILE 42 -7.518 5.108 0.993 321 1HG1 ILE 42 2HG1 ILE 42 -6.428 5.190 3.823 322 2HG1 ILE 42 1HG1 ILE 42 -5.993 3.966 2.631 323 1HG2 ILE 42 1HG2 ILE 42 -9.257 6.608 2.300 324 2HG2 ILE 42 2HG2 ILE 42 -7.760 7.315 1.692 325 3HG2 ILE 42 3HG2 ILE 42 -7.898 6.868 3.393 326 1HD1 ILE 42 1HD1 ILE 42 -4.311 5.432 2.135 327 2HD1 ILE 42 2HD1 ILE 42 -5.184 6.813 2.798 328 3HD1 ILE 42 3HD1 ILE 42 -5.565 6.223 1.180 329 H GLU 43 H GLU 43 -10.795 5.436 3.090 330 HA GLU 43 HA GLU 43 -12.168 4.518 0.595 331 1HB GLU 43 2HB GLU 43 -13.351 5.309 3.274 332 2HB GLU 43 1HB GLU 43 -14.288 4.870 1.845 333 1HG GLU 43 2HG GLU 43 -14.178 2.757 2.670 334 2HG GLU 43 1HG GLU 43 -12.533 2.764 2.034 335 H ASN 44 H ASN 44 -13.348 6.084 -0.589 336 HA ASN 44 HA ASN 44 -13.030 8.915 0.296 337 1HB ASN 44 2HB ASN 44 -12.014 7.617 -2.179 338 2HB ASN 44 1HB ASN 44 -12.763 9.201 -2.377 339 1HD2 ASN 44 1HD2 ASN 44 -10.045 9.097 -2.871 340 2HD2 ASN 44 2HD2 ASN 44 -9.178 9.816 -1.600 341 HA PRO 45 HA PRO 45 -17.334 8.006 -1.027 342 1HB PRO 45 2HB PRO 45 -18.483 9.142 1.197 343 2HB PRO 45 1HB PRO 45 -17.982 7.445 1.112 344 1HG PRO 45 2HG PRO 45 -16.677 9.715 2.537 345 2HG PRO 45 1HG PRO 45 -16.622 7.983 2.899 346 1HD PRO 45 2HD PRO 45 -14.587 9.472 1.615 347 2HD PRO 45 1HD PRO 45 -14.698 7.700 1.686 348 H SER 46 H SER 46 -18.114 9.495 -2.469 349 HA SER 46 HA SER 46 -18.892 11.565 -3.287 350 1HB SER 46 2HB SER 46 -19.032 11.864 -0.505 351 2HB SER 46 1HB SER 46 -18.113 13.261 -1.055 352 HG SER 46 HG SER 46 -20.424 12.471 -2.441 353 H ALA 47 H ALA 47 -16.191 10.598 -3.652 354 HA ALA 47 HA ALA 47 -14.165 12.505 -3.207 355 1HB ALA 47 1HB ALA 47 -14.421 10.118 -4.661 356 2HB ALA 47 2HB ALA 47 -12.943 11.047 -4.418 357 3HB ALA 47 3HB ALA 47 -13.933 11.324 -5.851 358 H SER 48 H SER 48 -15.987 12.123 -6.275 359 HA SER 48 HA SER 48 -15.377 14.970 -6.876 360 1HB SER 48 2HB SER 48 -16.498 14.227 -9.130 361 2HB SER 48 1HB SER 48 -14.857 13.702 -8.766 362 HG SER 48 HG SER 48 -17.285 12.272 -8.571 363 H ALA 49 H ALA 49 -16.998 15.571 -5.148 364 HA ALA 49 HA ALA 49 -19.821 15.054 -5.790 365 1HB ALA 49 1HB ALA 49 -18.437 16.661 -3.631 366 2HB ALA 49 2HB ALA 49 -19.306 15.137 -3.451 367 3HB ALA 49 3HB ALA 49 -20.190 16.619 -3.812 368 H SER 50 H SER 50 -17.426 17.478 -6.413 369 HA SER 50 HA SER 50 -19.521 19.417 -7.260 370 1HB SER 50 2HB SER 50 -16.609 19.627 -6.583 371 2HB SER 50 1HB SER 50 -17.312 20.815 -7.676 372 HG SER 50 HG SER 50 -17.500 21.498 -5.525 373 H GLY 51 H GLY 51 -19.697 17.433 -8.969 374 1HA GLY 51 2HA GLY 51 -19.730 17.770 -11.453 375 2HA GLY 51 1HA GLY 51 -18.041 18.263 -11.321 376 H GLY 52 H GLY 52 -18.840 16.152 -13.016 377 1HA GLY 52 2HA GLY 52 -18.381 13.604 -11.661 378 2HA GLY 52 1HA GLY 52 -18.524 13.839 -13.403 379 H ALA 53 H ALA 53 -16.519 12.212 -12.148 380 HA ALA 53 HA ALA 53 -14.107 13.641 -13.141 381 1HB ALA 53 1HB ALA 53 -13.970 13.920 -10.741 382 2HB ALA 53 2HB ALA 53 -12.812 12.673 -11.202 383 3HB ALA 53 3HB ALA 53 -14.353 12.219 -10.475 384 H GLY 54 H GLY 54 -14.188 10.572 -11.406 385 1HA GLY 54 2HA GLY 54 -14.056 8.357 -12.236 386 2HA GLY 54 1HA GLY 54 -14.268 8.990 -13.868 387 H ILE 55 H ILE 55 -12.434 9.515 -15.089 388 HA ILE 55 HA ILE 55 -9.963 8.227 -14.285 389 HB ILE 55 HB ILE 55 -10.384 10.143 -16.595 390 1HG1 ILE 55 2HG1 ILE 55 -12.093 8.338 -16.590 391 2HG1 ILE 55 1HG1 ILE 55 -10.953 8.151 -17.924 392 1HG2 ILE 55 1HG2 ILE 55 -8.655 8.164 -17.386 393 2HG2 ILE 55 2HG2 ILE 55 -8.237 8.337 -15.681 394 3HG2 ILE 55 3HG2 ILE 55 -8.152 9.733 -16.756 395 1HD1 ILE 55 1HD1 ILE 55 -9.713 6.460 -16.704 396 2HD1 ILE 55 2HD1 ILE 55 -11.417 6.007 -16.700 397 3HD1 ILE 55 3HD1 ILE 55 -10.691 6.726 -15.261 398 H ARG 56 H ARG 56 -11.273 11.365 -13.811 399 HA ARG 56 HA ARG 56 -8.836 12.884 -13.738 400 1HB ARG 56 2HB ARG 56 -11.633 13.295 -13.082 401 2HB ARG 56 1HB ARG 56 -10.589 14.013 -11.855 402 1HG ARG 56 2HG ARG 56 -10.832 15.714 -13.488 403 2HG ARG 56 1HG ARG 56 -9.253 15.001 -13.828 404 1HD ARG 56 2HD ARG 56 -11.552 13.715 -15.185 405 2HD ARG 56 1HD ARG 56 -11.171 15.351 -15.721 406 HE ARG 56 HE ARG 56 -8.745 13.863 -15.598 407 1HH1 ARG 56 1HH2 ARG 56 -11.783 13.465 -17.130 408 2HH1 ARG 56 2HH2 ARG 56 -11.111 13.092 -18.682 409 1HH2 ARG 56 2HH1 ARG 56 -7.833 13.626 -17.689 410 2HH2 ARG 56 1HH1 ARG 56 -8.875 13.184 -18.999 411 H THR 57 H THR 57 -10.270 10.614 -11.534 412 HA THR 57 HA THR 57 -9.044 11.499 -9.105 413 HB THR 57 HB THR 57 -9.703 8.657 -9.935 414 HG1 THR 57 HG1 THR 57 -11.405 10.028 -8.279 415 1HG2 THR 57 1HG2 THR 57 -8.808 9.958 -7.429 416 2HG2 THR 57 2HG2 THR 57 -8.619 8.288 -7.963 417 3HG2 THR 57 3HG2 THR 57 -10.147 8.823 -7.262 418 H ALA 58 H ALA 58 -7.753 9.920 -11.908 419 HA ALA 58 HA ALA 58 -5.546 8.528 -10.859 420 1HB ALA 58 1HB ALA 58 -6.333 8.843 -13.330 421 2HB ALA 58 2HB ALA 58 -4.611 8.632 -13.011 422 3HB ALA 58 3HB ALA 58 -5.260 10.243 -13.318 423 H GLN 59 H GLN 59 -5.754 11.991 -11.724 424 HA GLN 59 HA GLN 59 -3.177 12.841 -11.186 425 1HB GLN 59 2HB GLN 59 -5.721 14.068 -11.361 426 2HB GLN 59 1HB GLN 59 -4.996 14.645 -9.858 427 1HG GLN 59 2HG GLN 59 -3.181 14.547 -12.201 428 2HG GLN 59 1HG GLN 59 -4.470 15.749 -12.282 429 1HE2 GLN 59 1HE2 GLN 59 -4.082 17.683 -11.180 430 2HE2 GLN 59 2HE2 GLN 59 -2.889 17.896 -9.990 431 H ILE 60 H ILE 60 -5.719 12.169 -8.772 432 HA ILE 60 HA ILE 60 -4.010 12.838 -6.522 433 HB ILE 60 HB ILE 60 -6.496 11.099 -6.557 434 1HG1 ILE 60 2HG1 ILE 60 -7.117 13.208 -7.509 435 2HG1 ILE 60 1HG1 ILE 60 -7.585 13.290 -5.810 436 1HG2 ILE 60 1HG2 ILE 60 -6.280 11.010 -4.314 437 2HG2 ILE 60 2HG2 ILE 60 -6.012 12.751 -4.215 438 3HG2 ILE 60 3HG2 ILE 60 -4.655 11.666 -4.519 439 1HD1 ILE 60 1HD1 ILE 60 -6.467 15.316 -6.059 440 2HD1 ILE 60 2HD1 ILE 60 -5.312 14.654 -7.215 441 3HD1 ILE 60 3HD1 ILE 60 -5.157 14.276 -5.500 442 H ILE 61 H ILE 61 -4.835 9.873 -8.263 443 HA ILE 61 HA ILE 61 -3.778 7.932 -6.542 444 HB ILE 61 HB ILE 61 -3.524 8.059 -9.563 445 1HG1 ILE 61 2HG1 ILE 61 -5.849 8.248 -8.488 446 2HG1 ILE 61 1HG1 ILE 61 -5.627 6.935 -9.646 447 1HG2 ILE 61 1HG2 ILE 61 -2.042 6.360 -8.777 448 2HG2 ILE 61 2HG2 ILE 61 -3.514 5.518 -9.265 449 3HG2 ILE 61 3HG2 ILE 61 -3.194 5.820 -7.556 450 1HD1 ILE 61 1HD1 ILE 61 -5.297 6.604 -6.651 451 2HD1 ILE 61 2HD1 ILE 61 -5.328 5.327 -7.867 452 3HD1 ILE 61 3HD1 ILE 61 -6.792 6.245 -7.516 453 H ALA 62 H ALA 62 -2.074 10.152 -8.713 454 HA ALA 62 HA ALA 62 0.533 8.948 -8.248 455 1HB ALA 62 1HB ALA 62 -0.551 11.270 -9.715 456 2HB ALA 62 2HB ALA 62 0.746 10.160 -10.163 457 3HB ALA 62 3HB ALA 62 1.074 11.505 -9.070 458 H ASN 63 H ASN 63 -1.336 11.555 -6.774 459 HA ASN 63 HA ASN 63 0.761 12.736 -5.244 460 1HB ASN 63 2HB ASN 63 -2.052 13.016 -5.470 461 2HB ASN 63 1HB ASN 63 -1.708 12.740 -3.763 462 1HD2 ASN 63 1HD2 ASN 63 -0.045 14.558 -6.413 463 2HD2 ASN 63 2HD2 ASN 63 0.154 15.978 -5.503 464 H ASN 64 H ASN 64 -0.807 9.680 -4.934 465 HA ASN 64 HA ASN 64 -0.066 9.406 -2.084 466 1HB ASN 64 2HB ASN 64 -1.988 8.193 -3.806 467 2HB ASN 64 1HB ASN 64 -0.901 6.922 -3.246 468 1HD2 ASN 64 1HD2 ASN 64 -0.631 6.712 -0.838 469 2HD2 ASN 64 2HD2 ASN 64 -1.879 7.239 0.186 470 H GLY 65 H GLY 65 1.985 9.713 -4.260 471 1HA GLY 65 2HA GLY 65 3.967 8.662 -4.993 472 2HA GLY 65 1HA GLY 65 4.029 8.101 -3.321 473 H VAL 66 H VAL 66 1.636 7.250 -5.802 474 HA VAL 66 HA VAL 66 2.109 4.396 -5.233 475 HB VAL 66 HB VAL 66 0.232 5.485 -7.327 476 1HG1 VAL 66 1HG1 VAL 66 0.544 2.990 -5.696 477 2HG1 VAL 66 2HG1 VAL 66 0.181 3.164 -7.412 478 3HG1 VAL 66 3HG1 VAL 66 -1.073 3.468 -6.211 479 1HG2 VAL 66 1HG2 VAL 66 -0.032 6.731 -5.135 480 2HG2 VAL 66 2HG2 VAL 66 -0.400 5.182 -4.377 481 3HG2 VAL 66 3HG2 VAL 66 -1.458 5.823 -5.635 482 H LYS 67 H LYS 67 4.096 3.878 -6.150 483 HA LYS 67 HA LYS 67 4.724 4.651 -8.900 484 1HB LYS 67 2HB LYS 67 6.298 3.990 -6.805 485 2HB LYS 67 1HB LYS 67 6.186 2.411 -7.585 486 1HG LYS 67 2HG LYS 67 8.095 3.542 -8.528 487 2HG LYS 67 1HG LYS 67 6.829 3.536 -9.755 488 1HD LYS 67 2HD LYS 67 6.403 5.808 -9.526 489 2HD LYS 67 1HD LYS 67 6.980 5.851 -7.859 490 1HE LYS 67 2HE LYS 67 9.177 6.093 -8.479 491 2HE LYS 67 1HE LYS 67 8.979 5.129 -9.942 492 1HZ LYS 67 1HZ LYS 67 9.197 7.785 -9.934 493 2HZ LYS 67 2HZ LYS 67 7.507 7.625 -9.881 494 3HZ LYS 67 3HZ LYS 67 8.391 6.913 -11.145 495 H ALA 68 H ALA 68 2.828 2.278 -7.401 496 HA ALA 68 HA ALA 68 2.695 0.765 -9.970 497 1HB ALA 68 1HB ALA 68 2.188 -1.012 -7.770 498 2HB ALA 68 2HB ALA 68 3.756 -0.243 -7.530 499 3HB ALA 68 3HB ALA 68 3.431 -1.138 -9.015 500 H VAL 69 H VAL 69 0.597 0.706 -10.652 501 HA VAL 69 HA VAL 69 -1.532 0.951 -8.564 502 HB VAL 69 HB VAL 69 -1.520 2.144 -11.352 503 1HG1 VAL 69 1HG1 VAL 69 -3.769 2.007 -11.096 504 2HG1 VAL 69 2HG1 VAL 69 -3.576 3.284 -9.896 505 3HG1 VAL 69 3HG1 VAL 69 -3.633 1.596 -9.387 506 1HG2 VAL 69 1HG2 VAL 69 -1.593 3.586 -8.693 507 2HG2 VAL 69 2HG2 VAL 69 -1.266 4.264 -10.289 508 3HG2 VAL 69 3HG2 VAL 69 -0.076 3.216 -9.514 509 H ILE 70 H ILE 70 -2.766 -0.843 -8.516 510 HA ILE 70 HA ILE 70 -2.920 -2.542 -10.963 511 HB ILE 70 HB ILE 70 -3.412 -3.081 -8.026 512 1HG1 ILE 70 2HG1 ILE 70 -1.828 -5.070 -9.094 513 2HG1 ILE 70 1HG1 ILE 70 -1.324 -3.654 -10.018 514 1HG2 ILE 70 1HG2 ILE 70 -5.204 -4.245 -9.077 515 2HG2 ILE 70 2HG2 ILE 70 -3.936 -5.452 -8.868 516 3HG2 ILE 70 3HG2 ILE 70 -4.199 -4.713 -10.447 517 1HD1 ILE 70 1HD1 ILE 70 -0.602 -2.503 -8.116 518 2HD1 ILE 70 2HD1 ILE 70 -0.160 -4.164 -7.724 519 3HD1 ILE 70 3HD1 ILE 70 -1.619 -3.455 -7.035 520 H ALA 71 H ALA 71 -4.703 -2.116 -12.188 521 HA ALA 71 HA ALA 71 -7.332 -1.966 -10.853 522 1HB ALA 71 1HB ALA 71 -7.582 0.259 -11.057 523 2HB ALA 71 2HB ALA 71 -7.309 0.132 -12.795 524 3HB ALA 71 3HB ALA 71 -5.946 0.383 -11.704 525 H SER 72 H SER 72 -9.088 -1.763 -12.642 526 HA SER 72 HA SER 72 -8.188 -3.092 -15.157 527 1HB SER 72 2HB SER 72 -9.770 -4.814 -14.979 528 2HB SER 72 1HB SER 72 -9.205 -4.659 -13.319 529 HG SER 72 HG SER 72 -11.568 -4.671 -13.712 530 H SER 73 H SER 73 -8.620 -0.468 -15.259 531 HA SER 73 HA SER 73 -11.258 0.513 -15.473 532 1HB SER 73 2HB SER 73 -8.607 1.356 -16.327 533 2HB SER 73 1HB SER 73 -9.836 1.800 -17.508 534 HG SER 73 HG SER 73 -11.015 2.461 -15.433 535 HA PRO 74 HA PRO 74 -12.825 -1.424 -19.091 536 1HB PRO 74 2HB PRO 74 -14.729 0.445 -19.752 537 2HB PRO 74 1HB PRO 74 -14.900 -0.692 -18.403 538 1HG PRO 74 2HG PRO 74 -14.299 2.228 -18.330 539 2HG PRO 74 1HG PRO 74 -15.069 1.210 -17.102 540 1HD PRO 74 2HD PRO 74 -12.378 2.099 -17.079 541 2HD PRO 74 1HD PRO 74 -13.074 0.838 -16.038 542 H GLY 75 H GLY 75 -11.284 1.654 -19.188 543 1HA GLY 75 2HA GLY 75 -10.878 1.334 -22.120 544 2HA GLY 75 1HA GLY 75 -11.409 2.898 -21.503 545 HA PRO 76 HA PRO 76 -6.721 2.365 -21.149 546 1HB PRO 76 2HB PRO 76 -5.946 3.518 -23.521 547 2HB PRO 76 1HB PRO 76 -6.200 1.776 -23.319 548 1HG PRO 76 2HG PRO 76 -7.924 3.775 -24.705 549 2HG PRO 76 1HG PRO 76 -7.780 2.031 -24.984 550 1HD PRO 76 2HD PRO 76 -9.868 3.322 -23.567 551 2HD PRO 76 1HD PRO 76 -9.539 1.577 -23.585 552 H ASN 77 H ASN 77 -9.047 4.771 -21.642 553 HA ASN 77 HA ASN 77 -7.527 7.159 -21.797 554 1HB ASN 77 2HB ASN 77 -10.174 6.634 -21.694 555 2HB ASN 77 1HB ASN 77 -9.921 7.175 -20.034 556 1HD2 ASN 77 1HD2 ASN 77 -10.914 9.260 -20.262 557 2HD2 ASN 77 2HD2 ASN 77 -10.280 10.472 -21.268 558 H ALA 78 H ALA 78 -8.256 5.067 -19.051 559 HA ALA 78 HA ALA 78 -7.286 6.914 -17.043 560 1HB ALA 78 1HB ALA 78 -7.785 5.254 -15.530 561 2HB ALA 78 2HB ALA 78 -7.149 3.975 -16.563 562 3HB ALA 78 3HB ALA 78 -8.741 4.661 -16.887 563 H PHE 79 H PHE 79 -5.859 3.861 -18.276 564 HA PHE 79 HA PHE 79 -3.319 4.154 -17.118 565 1HB PHE 79 2HB PHE 79 -3.714 3.080 -19.917 566 2HB PHE 79 1HB PHE 79 -2.536 2.569 -18.710 567 HD1 PHE 79 HD1 PHE 79 -4.584 2.715 -16.355 568 HD2 PHE 79 HD2 PHE 79 -4.662 0.848 -20.225 569 HE1 PHE 79 HE1 PHE 79 -6.188 1.022 -15.507 570 HE2 PHE 79 HE2 PHE 79 -6.264 -0.846 -19.376 571 HZ PHE 79 HZ PHE 79 -7.028 -0.758 -17.017 572 H GLU 80 H GLU 80 -4.761 5.932 -19.720 573 HA GLU 80 HA GLU 80 -2.381 6.869 -21.009 574 1HB GLU 80 2HB GLU 80 -4.876 7.108 -21.731 575 2HB GLU 80 1HB GLU 80 -4.864 8.553 -20.720 576 1HG GLU 80 2HG GLU 80 -2.685 9.152 -22.033 577 2HG GLU 80 1HG GLU 80 -3.282 7.986 -23.215 578 H VAL 81 H VAL 81 -4.335 8.249 -18.352 579 HA VAL 81 HA VAL 81 -2.594 10.519 -17.961 580 HB VAL 81 HB VAL 81 -4.284 9.322 -15.775 581 1HG1 VAL 81 1HG1 VAL 81 -2.773 11.581 -15.896 582 2HG1 VAL 81 2HG1 VAL 81 -4.212 11.425 -14.888 583 3HG1 VAL 81 3HG1 VAL 81 -4.321 12.202 -16.469 584 1HG2 VAL 81 1HG2 VAL 81 -6.114 9.407 -17.088 585 2HG2 VAL 81 2HG2 VAL 81 -5.172 10.053 -18.431 586 3HG2 VAL 81 3HG2 VAL 81 -5.865 11.147 -17.235 587 H LEU 82 H LEU 82 -2.878 7.336 -16.387 588 HA LEU 82 HA LEU 82 -0.823 7.763 -14.441 589 1HB LEU 82 2HB LEU 82 -1.977 5.285 -15.726 590 2HB LEU 82 1HB LEU 82 -0.675 5.188 -14.539 591 HG LEU 82 HG LEU 82 -2.887 6.948 -13.725 592 1HD1 LEU 82 1HD1 LEU 82 -3.362 3.959 -13.924 593 2HD1 LEU 82 2HD1 LEU 82 -4.110 5.156 -14.981 594 3HD1 LEU 82 3HD1 LEU 82 -4.468 5.158 -13.254 595 1HD2 LEU 82 1HD2 LEU 82 -2.297 6.177 -11.633 596 2HD2 LEU 82 2HD2 LEU 82 -0.802 5.786 -12.484 597 3HD2 LEU 82 3HD2 LEU 82 -2.012 4.534 -12.205 598 H ASN 83 H ASN 83 -0.701 7.144 -17.850 599 HA ASN 83 HA ASN 83 2.019 6.100 -17.865 600 1HB ASN 83 2HB ASN 83 -0.081 6.352 -19.736 601 2HB ASN 83 1HB ASN 83 1.247 7.327 -20.366 602 1HD2 ASN 83 1HD2 ASN 83 1.938 5.846 -22.013 603 2HD2 ASN 83 2HD2 ASN 83 2.582 4.316 -21.658 604 H GLU 84 H GLU 84 0.659 9.180 -19.111 605 HA GLU 84 HA GLU 84 3.167 10.471 -19.431 606 1HB GLU 84 2HB GLU 84 0.875 11.231 -20.286 607 2HB GLU 84 1HB GLU 84 0.611 11.895 -18.674 608 1HG GLU 84 2HG GLU 84 3.227 12.643 -19.680 609 2HG GLU 84 1HG GLU 84 1.957 13.145 -20.796 610 H LEU 85 H LEU 85 1.326 9.796 -16.570 611 HA LEU 85 HA LEU 85 2.495 11.877 -14.922 612 1HB LEU 85 2HB LEU 85 0.459 9.979 -14.624 613 2HB LEU 85 1HB LEU 85 1.689 9.494 -13.456 614 HG LEU 85 HG LEU 85 0.223 11.074 -12.362 615 1HD1 LEU 85 1HD1 LEU 85 2.848 11.287 -12.270 616 2HD1 LEU 85 2HD1 LEU 85 1.841 12.532 -11.531 617 3HD1 LEU 85 3HD1 LEU 85 2.557 12.803 -13.121 618 1HD2 LEU 85 1HD2 LEU 85 -0.498 13.087 -13.296 619 2HD2 LEU 85 2HD2 LEU 85 -0.406 12.061 -14.728 620 3HD2 LEU 85 3HD2 LEU 85 0.892 13.201 -14.374 621 H GLY 86 H GLY 86 3.309 8.496 -15.629 622 1HA GLY 86 2HA GLY 86 5.696 7.865 -15.637 623 2HA GLY 86 1HA GLY 86 5.935 8.975 -14.286 624 H ILE 87 H ILE 87 3.077 7.017 -14.280 625 HA ILE 87 HA ILE 87 4.232 5.459 -12.013 626 HB ILE 87 HB ILE 87 1.366 6.053 -12.803 627 1HG1 ILE 87 2HG1 ILE 87 2.333 6.699 -10.105 628 2HG1 ILE 87 1HG1 ILE 87 3.191 7.568 -11.378 629 1HG2 ILE 87 1HG2 ILE 87 2.561 4.142 -10.819 630 2HG2 ILE 87 2HG2 ILE 87 1.172 3.918 -11.883 631 3HG2 ILE 87 3HG2 ILE 87 1.029 4.932 -10.447 632 1HD1 ILE 87 1HD1 ILE 87 0.503 7.987 -10.389 633 2HD1 ILE 87 2HD1 ILE 87 0.475 7.642 -12.119 634 3HD1 ILE 87 3HD1 ILE 87 1.443 8.981 -11.502 635 H LYS 88 H LYS 88 3.940 3.163 -11.963 636 HA LYS 88 HA LYS 88 3.917 1.924 -14.614 637 1HB LYS 88 2HB LYS 88 4.429 1.015 -11.809 638 2HB LYS 88 1HB LYS 88 3.997 -0.202 -13.011 639 1HG LYS 88 2HG LYS 88 5.844 0.444 -14.428 640 2HG LYS 88 1HG LYS 88 6.210 1.831 -13.401 641 1HD LYS 88 2HD LYS 88 6.224 -0.319 -11.633 642 2HD LYS 88 1HD LYS 88 6.996 -0.963 -13.083 643 1HE LYS 88 2HE LYS 88 8.060 1.619 -12.775 644 2HE LYS 88 1HE LYS 88 8.037 0.933 -11.150 645 1HZ LYS 88 1HZ LYS 88 9.122 -0.483 -13.521 646 2HZ LYS 88 2HZ LYS 88 9.255 -0.949 -11.893 647 3HZ LYS 88 3HZ LYS 88 10.074 0.430 -12.454 648 H ILE 89 H ILE 89 2.114 1.127 -15.595 649 HA ILE 89 HA ILE 89 -0.402 1.039 -14.044 650 HB ILE 89 HB ILE 89 0.156 0.623 -16.996 651 1HG1 ILE 89 2HG1 ILE 89 -1.444 2.860 -16.645 652 2HG1 ILE 89 1HG1 ILE 89 -0.321 2.961 -15.288 653 1HG2 ILE 89 1HG2 ILE 89 -2.196 0.122 -15.328 654 2HG2 ILE 89 2HG2 ILE 89 -1.883 -0.358 -16.995 655 3HG2 ILE 89 3HG2 ILE 89 -2.529 1.245 -16.646 656 1HD1 ILE 89 1HD1 ILE 89 1.546 2.526 -16.976 657 2HD1 ILE 89 2HD1 ILE 89 0.748 4.095 -17.099 658 3HD1 ILE 89 3HD1 ILE 89 0.343 2.807 -18.234 659 H TYR 90 H TYR 90 -1.528 -0.860 -13.605 660 HA TYR 90 HA TYR 90 -0.246 -3.401 -14.516 661 1HB TYR 90 2HB TYR 90 -0.844 -2.445 -11.785 662 2HB TYR 90 1HB TYR 90 -1.358 -4.099 -12.120 663 HD1 TYR 90 HD1 TYR 90 0.205 -5.668 -11.409 664 HD2 TYR 90 HD2 TYR 90 1.573 -1.984 -13.149 665 HE1 TYR 90 HE1 TYR 90 2.553 -6.444 -11.205 666 HE2 TYR 90 HE2 TYR 90 3.921 -2.760 -12.945 667 HH TYR 90 HH TYR 90 5.254 -4.310 -11.829 668 H ARG 91 H ARG 91 -1.665 -4.732 -15.531 669 HA ARG 91 HA ARG 91 -4.524 -4.008 -15.536 670 1HB ARG 91 2HB ARG 91 -2.823 -5.941 -17.107 671 2HB ARG 91 1HB ARG 91 -4.584 -6.024 -17.174 672 1HG ARG 91 2HG ARG 91 -4.602 -3.578 -17.775 673 2HG ARG 91 1HG ARG 91 -2.845 -3.652 -17.897 674 1HD ARG 91 2HD ARG 91 -3.085 -5.477 -19.591 675 2HD ARG 91 1HD ARG 91 -4.833 -5.257 -19.529 676 HE ARG 91 HE ARG 91 -3.310 -2.817 -20.129 677 1HH1 ARG 91 1HH2 ARG 91 -4.210 -5.759 -21.587 678 2HH1 ARG 91 2HH2 ARG 91 -4.867 -5.027 -23.013 679 1HH2 ARG 91 2HH1 ARG 91 -4.493 -1.784 -21.845 680 2HH2 ARG 91 1HH1 ARG 91 -5.028 -2.778 -23.159 681 H ALA 92 H ALA 92 -5.937 -4.942 -14.149 682 HA ALA 92 HA ALA 92 -5.081 -7.308 -12.603 683 1HB ALA 92 1HB ALA 92 -7.717 -6.633 -11.893 684 2HB ALA 92 2HB ALA 92 -6.915 -5.094 -12.207 685 3HB ALA 92 3HB ALA 92 -6.247 -6.210 -11.016 686 H THR 93 H THR 93 -5.637 -9.325 -13.248 687 HA THR 93 HA THR 93 -7.290 -9.818 -15.538 688 HB THR 93 HB THR 93 -7.270 -12.226 -14.301 689 HG1 THR 93 HG1 THR 93 -6.198 -11.929 -12.513 690 1HG2 THR 93 1HG2 THR 93 -5.535 -12.755 -15.752 691 2HG2 THR 93 2HG2 THR 93 -4.679 -11.244 -15.444 692 3HG2 THR 93 3HG2 THR 93 -6.116 -11.251 -16.466 693 H GLY 94 H GLY 94 -7.923 -9.983 -12.045 694 1HA GLY 94 2HA GLY 94 -10.228 -9.280 -11.352 695 2HA GLY 94 1HA GLY 94 -10.830 -10.230 -12.711 696 H THR 95 H THR 95 -8.472 -10.910 -10.103 697 HA THR 95 HA THR 95 -10.012 -13.418 -9.562 698 HB THR 95 HB THR 95 -7.061 -12.804 -9.229 699 HG1 THR 95 HG1 THR 95 -8.456 -14.728 -10.774 700 1HG2 THR 95 1HG2 THR 95 -8.755 -15.111 -8.278 701 2HG2 THR 95 2HG2 THR 95 -7.584 -14.160 -7.365 702 3HG2 THR 95 3HG2 THR 95 -7.030 -15.303 -8.588 703 H SER 96 H SER 96 -7.488 -11.884 -7.605 704 HA SER 96 HA SER 96 -9.430 -10.880 -5.653 705 1HB SER 96 2HB SER 96 -9.405 -12.617 -4.218 706 2HB SER 96 1HB SER 96 -8.516 -13.546 -5.419 707 HG SER 96 HG SER 96 -7.548 -13.171 -3.225 708 H VAL 97 H VAL 97 -8.542 -9.092 -4.735 709 HA VAL 97 HA VAL 97 -6.033 -8.048 -5.423 710 HB VAL 97 HB VAL 97 -6.309 -6.825 -3.089 711 1HG1 VAL 97 1HG1 VAL 97 -6.947 -6.189 -5.611 712 2HG1 VAL 97 2HG1 VAL 97 -7.418 -5.171 -4.250 713 3HG1 VAL 97 3HG1 VAL 97 -8.579 -6.297 -4.953 714 1HG2 VAL 97 1HG2 VAL 97 -9.176 -7.572 -3.457 715 2HG2 VAL 97 2HG2 VAL 97 -8.317 -7.107 -1.988 716 3HG2 VAL 97 3HG2 VAL 97 -8.135 -8.737 -2.637 717 H GLU 98 H GLU 98 -6.807 -10.496 -3.081 718 HA GLU 98 HA GLU 98 -4.449 -10.280 -1.455 719 1HB GLU 98 2HB GLU 98 -6.723 -11.947 -1.561 720 2HB GLU 98 1HB GLU 98 -5.336 -13.019 -1.749 721 1HG GLU 98 2HG GLU 98 -5.093 -10.909 0.331 722 2HG GLU 98 1HG GLU 98 -6.236 -12.209 0.666 723 H GLU 99 H GLU 99 -5.202 -12.341 -4.282 724 HA GLU 99 HA GLU 99 -2.537 -13.462 -4.406 725 1HB GLU 99 2HB GLU 99 -4.330 -14.696 -5.435 726 2HB GLU 99 1HB GLU 99 -4.787 -13.312 -6.428 727 1HG GLU 99 2HG GLU 99 -2.979 -13.561 -7.860 728 2HG GLU 99 1HG GLU 99 -1.987 -14.354 -6.635 729 H ASN 100 H ASN 100 -4.062 -10.579 -5.682 730 HA ASN 100 HA ASN 100 -2.147 -9.972 -7.721 731 1HB ASN 100 2HB ASN 100 -3.886 -8.154 -6.026 732 2HB ASN 100 1HB ASN 100 -2.956 -7.614 -7.425 733 1HD2 ASN 100 1HD2 ASN 100 -4.478 -7.308 -9.071 734 2HD2 ASN 100 2HD2 ASN 100 -5.657 -8.445 -9.517 735 H LEU 101 H LEU 101 -2.357 -8.914 -4.310 736 HA LEU 101 HA LEU 101 0.019 -7.369 -4.277 737 1HB LEU 101 2HB LEU 101 -1.684 -7.465 -2.433 738 2HB LEU 101 1HB LEU 101 -1.059 -9.057 -1.999 739 HG LEU 101 HG LEU 101 1.169 -8.093 -1.607 740 1HD1 LEU 101 1HD1 LEU 101 1.527 -6.250 -2.921 741 2HD1 LEU 101 2HD1 LEU 101 0.943 -5.400 -1.490 742 3HD1 LEU 101 3HD1 LEU 101 -0.156 -5.730 -2.831 743 1HD2 LEU 101 1HD2 LEU 101 0.543 -7.596 0.505 744 2HD2 LEU 101 2HD2 LEU 101 -1.129 -7.700 -0.046 745 3HD2 LEU 101 3HD2 LEU 101 -0.302 -6.143 -0.027 746 H LYS 102 H LYS 102 -0.383 -10.765 -3.194 747 HA LYS 102 HA LYS 102 2.374 -11.300 -2.823 748 1HB LYS 102 2HB LYS 102 0.039 -12.749 -2.570 749 2HB LYS 102 1HB LYS 102 0.840 -13.556 -3.920 750 1HG LYS 102 2HG LYS 102 2.044 -13.007 -1.192 751 2HG LYS 102 1HG LYS 102 1.557 -14.581 -1.819 752 1HD LYS 102 2HD LYS 102 3.185 -14.093 -3.767 753 2HD LYS 102 1HD LYS 102 3.839 -12.827 -2.726 754 1HE LYS 102 2HE LYS 102 4.579 -14.357 -1.109 755 2HE LYS 102 1HE LYS 102 3.484 -15.622 -1.667 756 1HZ LYS 102 1HZ LYS 102 5.106 -14.947 -3.815 757 2HZ LYS 102 2HZ LYS 102 5.119 -16.391 -2.917 758 3HZ LYS 102 3HZ LYS 102 6.133 -15.101 -2.474 759 H LEU 103 H LEU 103 0.471 -11.053 -5.737 760 HA LEU 103 HA LEU 103 2.320 -12.461 -7.460 761 1HB LEU 103 2HB LEU 103 -0.201 -11.130 -7.726 762 2HB LEU 103 1HB LEU 103 0.903 -10.466 -8.931 763 HG LEU 103 HG LEU 103 0.948 -13.418 -8.587 764 1HD1 LEU 103 1HD1 LEU 103 -1.115 -13.868 -9.524 765 2HD1 LEU 103 2HD1 LEU 103 -1.201 -12.309 -10.342 766 3HD1 LEU 103 3HD1 LEU 103 -1.528 -12.416 -8.613 767 1HD2 LEU 103 1HD2 LEU 103 1.437 -13.367 -10.914 768 2HD2 LEU 103 2HD2 LEU 103 2.280 -11.969 -10.249 769 3HD2 LEU 103 3HD2 LEU 103 0.753 -11.753 -11.103 770 H PHE 104 H PHE 104 1.946 -9.081 -6.447 771 HA PHE 104 HA PHE 104 3.886 -7.993 -8.265 772 1HB PHE 104 2HB PHE 104 2.168 -6.735 -6.801 773 2HB PHE 104 1HB PHE 104 3.344 -6.908 -5.498 774 HD1 PHE 104 HD1 PHE 104 5.743 -6.082 -5.921 775 HD2 PHE 104 HD2 PHE 104 2.406 -5.029 -8.415 776 HE1 PHE 104 HE1 PHE 104 7.019 -4.149 -6.813 777 HE2 PHE 104 HE2 PHE 104 3.680 -3.097 -9.306 778 HZ PHE 104 HZ PHE 104 5.987 -2.656 -8.505 779 H THR 105 H THR 105 4.140 -9.813 -5.325 780 HA THR 105 HA THR 105 6.706 -9.031 -4.412 781 HB THR 105 HB THR 105 6.029 -11.932 -4.347 782 HG1 THR 105 HG1 THR 105 4.497 -9.919 -3.067 783 1HG2 THR 105 1HG2 THR 105 7.825 -10.476 -3.034 784 2HG2 THR 105 2HG2 THR 105 7.006 -11.831 -2.257 785 3HG2 THR 105 3HG2 THR 105 6.455 -10.180 -1.964 786 H GLU 106 H GLU 106 5.734 -11.043 -7.119 787 HA GLU 106 HA GLU 106 8.620 -11.536 -7.725 788 1HB GLU 106 2HB GLU 106 6.182 -13.025 -8.748 789 2HB GLU 106 1HB GLU 106 7.866 -13.438 -9.072 790 1HG GLU 106 2HG GLU 106 6.754 -13.260 -6.266 791 2HG GLU 106 1HG GLU 106 6.739 -14.759 -7.197 792 H GLY 107 H GLY 107 6.079 -9.559 -8.547 793 1HA GLY 107 2HA GLY 107 5.717 -8.126 -10.369 794 2HA GLY 107 1HA GLY 107 7.393 -8.446 -10.819 795 H ASN 108 H ASN 108 4.758 -10.817 -10.566 796 HA ASN 108 HA ASN 108 5.337 -11.622 -13.360 797 1HB ASN 108 2HB ASN 108 5.047 -13.213 -11.277 798 2HB ASN 108 1HB ASN 108 3.327 -13.003 -11.608 799 1HD2 ASN 108 1HD2 ASN 108 3.699 -15.486 -12.087 800 2HD2 ASN 108 2HD2 ASN 108 4.090 -15.876 -13.693 801 H LEU 109 H LEU 109 3.023 -9.842 -11.543 802 HA LEU 109 HA LEU 109 0.646 -10.249 -13.018 803 1HB LEU 109 2HB LEU 109 1.749 -8.136 -11.285 804 2HB LEU 109 1HB LEU 109 0.589 -7.550 -12.478 805 HG LEU 109 HG LEU 109 0.110 -9.859 -10.571 806 1HD1 LEU 109 1HD1 LEU 109 0.065 -7.112 -10.052 807 2HD1 LEU 109 2HD1 LEU 109 -0.712 -8.369 -9.089 808 3HD1 LEU 109 3HD1 LEU 109 -1.624 -7.529 -10.342 809 1HD2 LEU 109 1HD2 LEU 109 -2.299 -8.862 -11.611 810 2HD2 LEU 109 2HD2 LEU 109 -1.523 -10.387 -12.039 811 3HD2 LEU 109 3HD2 LEU 109 -1.209 -8.938 -12.995 812 H GLU 110 H GLU 110 -0.090 -7.907 -14.255 813 HA GLU 110 HA GLU 110 1.727 -7.887 -16.618 814 1HB GLU 110 2HB GLU 110 -0.506 -8.509 -17.231 815 2HB GLU 110 1HB GLU 110 -1.200 -7.196 -16.278 816 1HG GLU 110 2HG GLU 110 -0.934 -5.717 -17.961 817 2HG GLU 110 1HG GLU 110 0.740 -6.212 -18.219 818 H GLU 111 H GLU 111 3.178 -6.229 -16.379 819 HA GLU 111 HA GLU 111 2.197 -3.652 -15.255 820 1HB GLU 111 2HB GLU 111 4.580 -3.080 -15.021 821 2HB GLU 111 1HB GLU 111 4.239 -4.629 -14.247 822 1HG GLU 111 2HG GLU 111 5.331 -5.852 -15.891 823 2HG GLU 111 1HG GLU 111 5.085 -4.611 -17.121 824 H ILE 112 H ILE 112 2.756 -1.657 -16.387 825 HA ILE 112 HA ILE 112 3.521 -1.962 -19.241 826 HB ILE 112 HB ILE 112 1.180 -0.208 -18.543 827 1HG1 ILE 112 2HG1 ILE 112 1.121 -3.189 -19.106 828 2HG1 ILE 112 1HG1 ILE 112 0.509 -2.367 -17.670 829 1HG2 ILE 112 1HG2 ILE 112 2.629 -1.019 -20.898 830 2HG2 ILE 112 2HG2 ILE 112 1.328 0.163 -20.758 831 3HG2 ILE 112 3HG2 ILE 112 0.949 -1.537 -21.038 832 1HD1 ILE 112 1HD1 ILE 112 -0.702 -2.621 -20.362 833 2HD1 ILE 112 2HD1 ILE 112 -0.841 -1.029 -19.618 834 3HD1 ILE 112 3HD1 ILE 112 -1.480 -2.448 -18.788 835 H ARG 113 H ARG 113 5.017 -0.429 -19.719 836 HA ARG 113 HA ARG 113 4.845 2.234 -18.436 837 1HB ARG 113 2HB ARG 113 6.403 0.435 -17.196 838 2HB ARG 113 1HB ARG 113 7.545 0.965 -18.432 839 1HG ARG 113 2HG ARG 113 6.937 3.360 -17.744 840 2HG ARG 113 1HG ARG 113 6.167 2.641 -16.328 841 1HD ARG 113 2HD ARG 113 8.228 2.791 -15.383 842 2HD ARG 113 1HD ARG 113 8.600 1.364 -16.351 843 HE ARG 113 HE ARG 113 10.115 2.746 -17.494 844 1HH1 ARG 113 2HH1 ARG 113 8.642 4.874 -15.479 845 2HH1 ARG 113 1HH1 ARG 113 8.612 6.218 -16.572 846 1HH2 ARG 113 1HH2 ARG 113 9.542 4.335 -19.331 847 2HH2 ARG 113 2HH2 ARG 113 9.124 5.913 -18.752 848 H SER 114 H SER 114 4.473 3.106 -20.523 849 HA SER 114 HA SER 114 6.612 2.639 -22.550 850 1HB SER 114 2HB SER 114 5.034 2.962 -24.171 851 2HB SER 114 1HB SER 114 3.912 2.559 -22.874 852 HG SER 114 HG SER 114 4.706 5.108 -23.821 853 HA PRO 115 HA PRO 115 8.146 6.711 -21.960 854 1HB PRO 115 2HB PRO 115 9.213 7.132 -24.458 855 2HB PRO 115 1HB PRO 115 9.950 6.071 -23.245 856 1HG PRO 115 2HG PRO 115 8.446 5.339 -25.714 857 2HG PRO 115 1HG PRO 115 9.690 4.425 -24.846 858 1HD PRO 115 2HD PRO 115 6.898 3.966 -24.715 859 2HD PRO 115 1HD PRO 115 8.122 3.291 -23.616 860 H GLY 116 H GLY 116 8.290 8.841 -23.625 861 1HA GLY 116 2HA GLY 116 5.448 9.524 -24.055 862 2HA GLY 116 1HA GLY 116 6.800 10.657 -24.079 863 H SER 117 H SER 117 4.565 9.962 -26.079 864 HA SER 117 HA SER 117 4.355 9.697 -28.406 865 1HB SER 117 2HB SER 117 5.390 11.544 -29.178 866 2HB SER 117 1HB SER 117 6.508 11.523 -27.821 867 HG SER 117 HG SER 117 6.726 10.217 -30.326 868 H GLY 118 H GLY 118 4.368 7.463 -28.719 869 1HA GLY 118 2HA GLY 118 6.307 6.232 -30.270 870 2HA GLY 118 1HA GLY 118 6.818 5.900 -28.614 871 H ARG 119 H ARG 119 3.513 6.121 -29.925 872 HA ARG 119 HA ARG 119 3.177 3.207 -29.404 873 1HB ARG 119 2HB ARG 119 2.317 5.005 -27.566 874 2HB ARG 119 1HB ARG 119 0.906 4.954 -28.625 875 1HG ARG 119 2HG ARG 119 0.978 2.437 -28.465 876 2HG ARG 119 1HG ARG 119 2.232 2.609 -27.236 877 1HD ARG 119 2HD ARG 119 0.307 4.354 -26.332 878 2HD ARG 119 1HD ARG 119 -0.668 3.060 -27.025 879 HE ARG 119 HE ARG 119 1.505 2.182 -25.243 880 1HH1 ARG 119 2HH1 ARG 119 -0.704 3.934 -23.923 881 2HH1 ARG 119 1HH1 ARG 119 -1.735 2.693 -23.293 882 1HH2 ARG 119 1HH2 ARG 119 -0.296 0.168 -25.184 883 2HH2 ARG 119 2HH2 ARG 119 -1.505 0.561 -24.007 884 H GLY 120 H GLY 120 1.725 2.213 -30.827 885 1HA GLY 120 2HA GLY 120 -0.372 2.865 -32.280 886 2HA GLY 120 1HA GLY 120 0.791 3.932 -33.070 887 H ARG 121 H ARG 121 -0.689 1.506 -34.090 888 HA ARG 121 HA ARG 121 1.570 -0.343 -34.634 889 1HB ARG 121 2HB ARG 121 -1.404 -0.507 -34.809 890 2HB ARG 121 1HB ARG 121 -0.472 -1.480 -35.949 891 1HG ARG 121 2HG ARG 121 0.897 -2.219 -33.871 892 2HG ARG 121 1HG ARG 121 -0.463 -1.594 -32.936 893 1HD ARG 121 2HD ARG 121 -1.959 -3.037 -34.444 894 2HD ARG 121 1HD ARG 121 -0.473 -3.829 -34.970 895 HE ARG 121 HE ARG 121 -0.941 -3.708 -32.052 896 1HH1 ARG 121 2HH1 ARG 121 -2.711 -5.457 -34.071 897 2HH1 ARG 121 1HH1 ARG 121 -2.010 -7.006 -33.744 898 1HH2 ARG 121 1HH2 ARG 121 0.709 -5.710 -32.025 899 2HH2 ARG 121 2HH2 ARG 121 -0.076 -7.150 -32.584 900 H ARG 122 H ARG 122 -0.849 1.599 -36.409 901 HA ARG 122 HA ARG 122 0.671 1.197 -38.915 902 1HB ARG 122 2HB ARG 122 -1.875 1.163 -38.799 903 2HB ARG 122 1HB ARG 122 -1.798 2.899 -38.500 904 1HG ARG 122 2HG ARG 122 -1.264 3.370 -40.659 905 2HG ARG 122 1HG ARG 122 -0.170 1.991 -40.785 906 1HD ARG 122 2HD ARG 122 -1.808 0.588 -41.552 907 2HD ARG 122 1HD ARG 122 -3.059 1.343 -40.565 908 HE ARG 122 HE ARG 122 -3.091 3.196 -42.267 909 1HH1 ARG 122 1HH2 ARG 122 -0.622 1.272 -43.294 910 2HH1 ARG 122 2HH2 ARG 122 -1.255 0.951 -44.874 911 1HH2 ARG 122 2HH1 ARG 122 -4.373 2.304 -44.190 912 2HH2 ARG 122 1HH1 ARG 122 -3.378 1.537 -45.382 913 H ARG 123 H ARG 123 1.824 2.851 -39.940 914 HA ARG 123 HA ARG 123 1.778 5.558 -38.736 915 1HB ARG 123 2HB ARG 123 4.086 3.656 -38.658 916 2HB ARG 123 1HB ARG 123 4.428 5.364 -38.934 917 1HG ARG 123 2HG ARG 123 3.864 5.949 -36.810 918 2HG ARG 123 1HG ARG 123 2.488 4.845 -36.774 919 1HD ARG 123 2HD ARG 123 3.702 3.417 -35.533 920 2HD ARG 123 1HD ARG 123 4.825 3.237 -36.881 921 HE ARG 123 HE ARG 123 5.201 4.995 -34.536 922 1HH1 ARG 123 1HH2 ARG 123 7.103 2.950 -35.921 923 2HH1 ARG 123 2HH2 ARG 123 8.284 4.036 -36.572 924 1HH2 ARG 123 2HH1 ARG 123 6.318 6.859 -36.135 925 2HH2 ARG 123 1HH1 ARG 123 7.840 6.248 -36.693 926 H ARG 124 HN ARG 124 3.803 3.703 -41.042 927 HA ARG 124 HA ARG 124 3.770 5.961 -42.912 928 1HB ARG 124 2HB ARG 124 5.586 3.999 -42.436 929 2HB ARG 124 1HB ARG 124 4.748 3.315 -43.829 930 1HG ARG 124 2HG ARG 124 5.325 6.175 -44.126 931 2HG ARG 124 1HG ARG 124 6.777 5.187 -43.955 932 1HD ARG 124 2HD ARG 124 5.038 3.774 -45.690 933 2HD ARG 124 1HD ARG 124 5.051 5.450 -46.241 934 HE ARG 124 HE ARG 124 7.736 4.761 -45.762 935 1HH1 ARG 124 1HH1 ARG 124 5.384 2.878 -47.299 936 2HH1 ARG 124 2HH1 ARG 124 6.252 2.717 -48.789 937 1HH2 ARG 124 1HH2 ARG 124 8.754 4.939 -47.876 938 2HH2 ARG 124 2HH2 ARG 124 8.160 3.887 -49.117 Start of MODEL 4 1 1H MET 1 1H MET 1 8.023 4.039 -3.450 2 2H MET 1 2H MET 1 8.718 4.583 -4.902 3 3H MET 1 3H MET 1 9.382 3.248 -4.087 4 HA MET 1 HA MET 1 7.176 3.369 -5.926 5 1HB MET 1 2HB MET 1 8.837 1.098 -4.788 6 2HB MET 1 1HB MET 1 7.777 0.996 -6.194 7 1HG MET 1 2HG MET 1 9.617 3.232 -6.433 8 2HG MET 1 1HG MET 1 10.485 1.715 -6.203 9 1HE MET 1 1HE MET 1 10.529 0.010 -9.308 10 2HE MET 1 2HE MET 1 9.696 -0.618 -7.889 11 3HE MET 1 3HE MET 1 11.135 0.377 -7.687 12 H LYS 2 H LYS 2 5.178 2.325 -5.672 13 HA LYS 2 HA LYS 2 4.559 0.951 -3.141 14 1HB LYS 2 2HB LYS 2 3.841 3.741 -3.640 15 2HB LYS 2 1HB LYS 2 2.426 2.735 -3.326 16 1HG LYS 2 2HG LYS 2 2.945 3.030 -1.136 17 2HG LYS 2 1HG LYS 2 4.198 1.824 -1.431 18 1HD LYS 2 2HD LYS 2 5.842 3.349 -1.188 19 2HD LYS 2 1HD LYS 2 5.044 4.478 -2.284 20 1HE LYS 2 2HE LYS 2 3.456 4.484 0.027 21 2HE LYS 2 1HE LYS 2 5.117 4.487 0.621 22 1HZ LYS 2 1HZ LYS 2 5.582 6.347 -0.882 23 2HZ LYS 2 2HZ LYS 2 4.372 6.729 0.249 24 3HZ LYS 2 3HZ LYS 2 3.954 6.370 -1.358 25 H ILE 3 H ILE 3 2.385 -0.060 -3.251 26 HA ILE 3 HA ILE 3 1.506 -0.417 -6.089 27 HB ILE 3 HB ILE 3 1.316 -2.420 -3.821 28 1HG1 ILE 3 2HG1 ILE 3 3.067 -2.928 -6.155 29 2HG1 ILE 3 1HG1 ILE 3 3.622 -1.657 -5.064 30 1HG2 ILE 3 1HG2 ILE 3 -0.259 -2.331 -5.991 31 2HG2 ILE 3 2HG2 ILE 3 0.320 -3.857 -5.321 32 3HG2 ILE 3 3HG2 ILE 3 1.133 -3.139 -6.710 33 1HD1 ILE 3 1HD1 ILE 3 4.557 -3.622 -4.147 34 2HD1 ILE 3 2HD1 ILE 3 3.095 -4.562 -4.447 35 3HD1 ILE 3 3HD1 ILE 3 3.116 -3.349 -3.167 36 H ALA 4 H ALA 4 -0.492 0.372 -6.458 37 HA ALA 4 HA ALA 4 -2.390 0.548 -4.152 38 1HB ALA 4 1HB ALA 4 -1.839 2.333 -6.488 39 2HB ALA 4 2HB ALA 4 -2.210 2.757 -4.817 40 3HB ALA 4 3HB ALA 4 -3.499 2.236 -5.901 41 H ILE 5 H ILE 5 -3.591 -1.327 -4.339 42 HA ILE 5 HA ILE 5 -4.492 -2.183 -7.031 43 HB ILE 5 HB ILE 5 -5.262 -3.614 -4.512 44 1HG1 ILE 5 2HG1 ILE 5 -2.856 -4.769 -5.267 45 2HG1 ILE 5 1HG1 ILE 5 -2.522 -3.041 -5.388 46 1HG2 ILE 5 1HG2 ILE 5 -4.908 -4.164 -7.403 47 2HG2 ILE 5 2HG2 ILE 5 -6.049 -4.865 -6.255 48 3HG2 ILE 5 3HG2 ILE 5 -4.387 -5.452 -6.318 49 1HD1 ILE 5 1HD1 ILE 5 -2.062 -3.392 -3.141 50 2HD1 ILE 5 2HD1 ILE 5 -3.276 -4.662 -2.985 51 3HD1 ILE 5 3HD1 ILE 5 -3.773 -2.972 -3.052 52 H ALA 6 H ALA 6 -6.407 -1.414 -7.760 53 HA ALA 6 HA ALA 6 -8.304 -0.118 -5.964 54 1HB ALA 6 1HB ALA 6 -8.047 -0.558 -8.893 55 2HB ALA 6 2HB ALA 6 -8.487 0.903 -8.011 56 3HB ALA 6 3HB ALA 6 -9.688 -0.361 -8.278 57 H SER 7 H SER 7 -10.294 -0.951 -5.261 58 HA SER 7 HA SER 7 -11.297 -3.503 -6.268 59 1HB SER 7 2HB SER 7 -10.786 -4.896 -4.492 60 2HB SER 7 1HB SER 7 -9.349 -3.877 -4.490 61 HG SER 7 HG SER 7 -10.973 -4.237 -2.514 62 H SER 8 H SER 8 -12.847 -4.155 -3.965 63 HA SER 8 HA SER 8 -14.331 -1.691 -3.278 64 1HB SER 8 2HB SER 8 -15.772 -4.031 -4.544 65 2HB SER 8 1HB SER 8 -16.426 -2.442 -4.160 66 HG SER 8 HG SER 8 -14.690 -1.684 -5.664 67 H GLY 9 H GLY 9 -12.962 -2.962 -1.402 68 1HA GLY 9 2HA GLY 9 -14.757 -3.684 0.598 69 2HA GLY 9 1HA GLY 9 -14.350 -5.205 -0.196 70 H THR 10 H THR 10 -13.645 -4.778 2.473 71 HA THR 10 HA THR 10 -10.834 -3.918 2.562 72 HB THR 10 HB THR 10 -11.508 -5.258 4.956 73 HG1 THR 10 HG1 THR 10 -13.487 -3.736 5.207 74 1HG2 THR 10 1HG2 THR 10 -10.516 -2.804 4.116 75 2HG2 THR 10 2HG2 THR 10 -10.761 -3.299 5.791 76 3HG2 THR 10 3HG2 THR 10 -12.011 -2.381 4.951 77 H ASP 11 H ASP 11 -12.676 -6.922 2.504 78 HA ASP 11 HA ASP 11 -10.623 -8.503 1.432 79 1HB ASP 11 2HB ASP 11 -9.959 -9.809 3.513 80 2HB ASP 11 1HB ASP 11 -9.294 -8.178 3.406 81 H LEU 12 H LEU 12 -11.093 -10.946 1.868 82 HA LEU 12 HA LEU 12 -12.740 -12.607 1.558 83 1HB LEU 12 2HB LEU 12 -12.656 -11.872 4.156 84 2HB LEU 12 1HB LEU 12 -14.333 -11.457 3.794 85 HG LEU 12 HG LEU 12 -14.709 -13.735 2.920 86 1HD1 LEU 12 1HD1 LEU 12 -12.645 -15.286 3.796 87 2HD1 LEU 12 2HD1 LEU 12 -11.773 -13.843 3.280 88 3HD1 LEU 12 3HD1 LEU 12 -12.800 -14.708 2.137 89 1HD2 LEU 12 1HD2 LEU 12 -14.406 -12.966 5.582 90 2HD2 LEU 12 2HD2 LEU 12 -13.507 -14.480 5.479 91 3HD2 LEU 12 3HD2 LEU 12 -15.208 -14.432 5.015 92 H GLY 13 H GLY 13 -13.159 -10.097 0.096 93 1HA GLY 13 2HA GLY 13 -15.833 -10.551 -0.828 94 2HA GLY 13 1HA GLY 13 -15.807 -9.125 0.210 95 H SER 14 H SER 14 -13.078 -8.368 -0.563 96 HA SER 14 HA SER 14 -13.688 -6.729 -2.833 97 1HB SER 14 2HB SER 14 -11.049 -6.526 -2.801 98 2HB SER 14 1HB SER 14 -12.012 -5.803 -1.517 99 HG SER 14 HG SER 14 -11.257 -8.477 -1.250 100 H GLU 15 H GLU 15 -14.397 -8.247 -4.435 101 HA GLU 15 HA GLU 15 -12.612 -10.339 -5.399 102 1HB GLU 15 2HB GLU 15 -15.075 -9.163 -6.718 103 2HB GLU 15 1HB GLU 15 -14.305 -10.700 -7.116 104 1HG GLU 15 2HG GLU 15 -14.676 -11.195 -4.547 105 2HG GLU 15 1HG GLU 15 -15.930 -9.963 -4.706 106 H VAL 16 H VAL 16 -12.228 -7.126 -5.601 107 HA VAL 16 HA VAL 16 -10.876 -5.810 -6.997 108 HB VAL 16 HB VAL 16 -10.519 -8.294 -8.694 109 1HG1 VAL 16 1HG1 VAL 16 -8.260 -7.103 -9.037 110 2HG1 VAL 16 2HG1 VAL 16 -9.044 -5.684 -8.342 111 3HG1 VAL 16 3HG1 VAL 16 -9.668 -6.396 -9.830 112 1HG2 VAL 16 1HG2 VAL 16 -9.274 -7.452 -6.087 113 2HG2 VAL 16 2HG2 VAL 16 -8.329 -8.377 -7.254 114 3HG2 VAL 16 3HG2 VAL 16 -9.817 -9.053 -6.589 115 H SER 17 H SER 17 -13.292 -5.130 -7.387 116 HA SER 17 HA SER 17 -14.819 -5.791 -9.604 117 1HB SER 17 2HB SER 17 -14.269 -3.157 -8.262 118 2HB SER 17 1HB SER 17 -15.273 -3.207 -9.709 119 HG SER 17 HG SER 17 -16.723 -4.464 -8.664 120 H ARG 18 H ARG 18 -14.345 -5.899 -11.742 121 HA ARG 18 HA ARG 18 -11.846 -5.072 -12.834 122 1HB ARG 18 2HB ARG 18 -13.292 -6.816 -13.850 123 2HB ARG 18 1HB ARG 18 -14.454 -5.569 -14.300 124 1HG ARG 18 2HG ARG 18 -12.056 -4.566 -15.266 125 2HG ARG 18 1HG ARG 18 -11.924 -6.297 -15.580 126 1HD ARG 18 2HD ARG 18 -14.488 -4.892 -16.245 127 2HD ARG 18 1HD ARG 18 -13.114 -4.727 -17.336 128 HE ARG 18 HE ARG 18 -14.770 -7.045 -17.133 129 1HH1 ARG 18 1HH2 ARG 18 -11.590 -5.886 -17.716 130 2HH1 ARG 18 2HH2 ARG 18 -10.995 -7.403 -18.303 131 1HH2 ARG 18 2HH1 ARG 18 -13.962 -9.097 -17.709 132 2HH2 ARG 18 1HH1 ARG 18 -12.338 -9.222 -18.298 133 H PHE 19 H PHE 19 -14.732 -3.293 -12.188 134 HA PHE 19 HA PHE 19 -14.133 -1.186 -14.151 135 1HB PHE 19 2HB PHE 19 -16.387 -1.950 -12.543 136 2HB PHE 19 1HB PHE 19 -15.990 -0.266 -12.205 137 HD1 PHE 19 HD1 PHE 19 -16.953 -2.677 -14.835 138 HD2 PHE 19 HD2 PHE 19 -16.178 1.448 -13.910 139 HE1 PHE 19 HE1 PHE 19 -17.964 -2.003 -16.997 140 HE2 PHE 19 HE2 PHE 19 -17.189 2.122 -16.074 141 HZ PHE 19 HZ PHE 19 -18.082 0.398 -17.617 142 H PHE 20 H PHE 20 -12.352 0.035 -13.690 143 HA PHE 20 HA PHE 20 -11.909 0.848 -10.852 144 1HB PHE 20 2HB PHE 20 -9.972 -0.243 -11.803 145 2HB PHE 20 1HB PHE 20 -10.043 0.776 -13.240 146 HD1 PHE 20 HD1 PHE 20 -10.277 1.477 -9.557 147 HD2 PHE 20 HD2 PHE 20 -8.272 2.292 -13.270 148 HE1 PHE 20 HE1 PHE 20 -8.872 3.180 -8.424 149 HE2 PHE 20 HE2 PHE 20 -6.867 3.994 -12.137 150 HZ PHE 20 HZ PHE 20 -7.167 4.437 -9.714 151 H GLY 21 H GLY 21 -12.388 2.928 -10.331 152 1HA GLY 21 2HA GLY 21 -11.731 5.291 -11.481 153 2HA GLY 21 1HA GLY 21 -13.107 4.814 -12.478 154 H ARG 22 H ARG 22 -14.571 3.498 -10.367 155 HA ARG 22 HA ARG 22 -15.296 5.876 -8.699 156 1HB ARG 22 2HB ARG 22 -17.028 3.756 -9.987 157 2HB ARG 22 1HB ARG 22 -17.617 4.784 -8.680 158 1HG ARG 22 2HG ARG 22 -18.247 6.062 -10.506 159 2HG ARG 22 1HG ARG 22 -16.635 6.717 -10.217 160 1HD ARG 22 2HD ARG 22 -15.856 4.801 -11.825 161 2HD ARG 22 1HD ARG 22 -17.540 4.797 -12.346 162 HE ARG 22 HE ARG 22 -15.586 6.930 -12.847 163 1HH1 ARG 22 1HH2 ARG 22 -17.722 5.752 -14.722 164 2HH1 ARG 22 2HH2 ARG 22 -18.810 7.093 -14.850 165 1HH2 ARG 22 2HH1 ARG 22 -17.491 8.766 -12.114 166 2HH2 ARG 22 1HH1 ARG 22 -18.680 8.800 -13.373 167 H ALA 23 H ALA 23 -14.499 2.502 -8.780 168 HA ALA 23 HA ALA 23 -15.547 1.502 -6.398 169 1HB ALA 23 1HB ALA 23 -12.663 1.023 -7.118 170 2HB ALA 23 2HB ALA 23 -13.960 0.392 -8.132 171 3HB ALA 23 3HB ALA 23 -13.835 -0.111 -6.447 172 HA PRO 24 HA PRO 24 -13.568 4.522 -3.683 173 1HB PRO 24 2HB PRO 24 -15.369 4.163 -1.640 174 2HB PRO 24 1HB PRO 24 -15.664 5.225 -3.028 175 1HG PRO 24 2HG PRO 24 -16.830 2.548 -2.435 176 2HG PRO 24 1HG PRO 24 -17.494 3.868 -3.412 177 1HD PRO 24 2HD PRO 24 -16.237 1.525 -4.403 178 2HD PRO 24 1HD PRO 24 -16.641 2.978 -5.341 179 H TYR 25 H TYR 25 -12.043 2.347 -3.791 180 HA TYR 25 HA TYR 25 -11.531 1.691 -0.993 181 1HB TYR 25 2HB TYR 25 -12.923 -0.199 -2.778 182 2HB TYR 25 1HB TYR 25 -11.510 -0.875 -1.966 183 HD1 TYR 25 HD1 TYR 25 -14.897 -0.698 -1.641 184 HD2 TYR 25 HD2 TYR 25 -11.364 0.254 0.613 185 HE1 TYR 25 HE1 TYR 25 -16.193 -0.882 0.468 186 HE2 TYR 25 HE2 TYR 25 -12.661 0.070 2.722 187 HH TYR 25 HH TYR 25 -16.125 -0.214 2.730 188 H PHE 26 H PHE 26 -9.687 2.991 -2.071 189 HA PHE 26 HA PHE 26 -7.956 1.489 -3.890 190 1HB PHE 26 2HB PHE 26 -7.283 3.989 -2.316 191 2HB PHE 26 1HB PHE 26 -6.495 3.404 -3.781 192 HD1 PHE 26 HD1 PHE 26 -8.365 2.832 -5.730 193 HD2 PHE 26 HD2 PHE 26 -8.706 5.796 -2.636 194 HE1 PHE 26 HE1 PHE 26 -10.002 4.086 -7.110 195 HE2 PHE 26 HE2 PHE 26 -10.343 7.049 -4.016 196 HZ PHE 26 HZ PHE 26 -10.991 6.194 -6.253 197 H MET 27 H MET 27 -6.579 -0.066 -3.197 198 HA MET 27 HA MET 27 -5.895 -0.193 -0.313 199 1HB MET 27 2HB MET 27 -5.452 -2.146 -2.593 200 2HB MET 27 1HB MET 27 -4.965 -2.439 -0.922 201 1HG MET 27 2HG MET 27 -7.740 -1.555 -1.120 202 2HG MET 27 1HG MET 27 -7.450 -3.042 -2.022 203 1HE MET 27 1HE MET 27 -9.212 -3.832 -0.612 204 2HE MET 27 2HE MET 27 -8.961 -4.681 0.912 205 3HE MET 27 3HE MET 27 -8.184 -5.270 -0.556 206 H ILE 28 H ILE 28 -4.121 0.997 0.217 207 HA ILE 28 HA ILE 28 -1.886 1.156 -1.753 208 HB ILE 28 HB ILE 28 -1.938 2.778 0.763 209 1HG1 ILE 28 2HG1 ILE 28 -4.257 2.887 -0.174 210 2HG1 ILE 28 1HG1 ILE 28 -3.414 4.434 -0.261 211 1HG2 ILE 28 1HG2 ILE 28 -0.061 2.852 -0.892 212 2HG2 ILE 28 2HG2 ILE 28 -0.856 4.413 -0.679 213 3HG2 ILE 28 3HG2 ILE 28 -1.202 3.434 -2.105 214 1HD1 ILE 28 1HD1 ILE 28 -3.467 2.458 -2.553 215 2HD1 ILE 28 2HD1 ILE 28 -2.938 4.139 -2.595 216 3HD1 ILE 28 3HD1 ILE 28 -4.646 3.758 -2.378 217 H VAL 29 H VAL 29 -0.240 -0.256 -1.385 218 HA VAL 29 HA VAL 29 0.539 -0.775 1.443 219 HB VAL 29 HB VAL 29 0.744 -3.158 1.036 220 1HG1 VAL 29 1HG1 VAL 29 -1.484 -3.597 1.287 221 2HG1 VAL 29 2HG1 VAL 29 -1.922 -2.731 -0.186 222 3HG1 VAL 29 3HG1 VAL 29 -1.619 -1.838 1.305 223 1HG2 VAL 29 1HG2 VAL 29 0.549 -4.167 -1.044 224 2HG2 VAL 29 2HG2 VAL 29 1.199 -2.604 -1.534 225 3HG2 VAL 29 3HG2 VAL 29 -0.530 -2.919 -1.665 226 H GLU 30 H GLU 30 2.769 -1.186 1.719 227 HA GLU 30 HA GLU 30 4.448 -0.905 -0.744 228 1HB GLU 30 2HB GLU 30 4.334 1.194 0.689 229 2HB GLU 30 1HB GLU 30 5.128 0.271 1.965 230 1HG GLU 30 2HG GLU 30 6.903 -0.304 0.169 231 2HG GLU 30 1HG GLU 30 6.210 1.038 -0.742 232 H MET 31 H MET 31 6.301 -2.236 -0.774 233 HA MET 31 HA MET 31 6.492 -4.163 1.508 234 1HB MET 31 2HB MET 31 7.610 -4.756 -1.213 235 2HB MET 31 1HB MET 31 6.997 -5.871 0.009 236 1HG MET 31 2HG MET 31 4.698 -4.900 -0.386 237 2HG MET 31 1HG MET 31 5.376 -4.019 -1.756 238 1HE MET 31 1HE MET 31 3.089 -6.077 -1.281 239 2HE MET 31 2HE MET 31 3.879 -7.497 -0.599 240 3HE MET 31 3HE MET 31 3.212 -7.566 -2.228 241 H LYS 32 H LYS 32 8.614 -4.797 2.188 242 HA LYS 32 HA LYS 32 10.653 -2.699 1.715 243 1HB LYS 32 2HB LYS 32 9.921 -3.739 4.031 244 2HB LYS 32 1HB LYS 32 11.046 -5.020 3.580 245 1HG LYS 32 2HG LYS 32 12.012 -2.230 3.226 246 2HG LYS 32 1HG LYS 32 11.830 -2.794 4.887 247 1HD LYS 32 2HD LYS 32 13.039 -4.934 3.541 248 2HD LYS 32 1HD LYS 32 13.858 -3.496 2.930 249 1HE LYS 32 2HE LYS 32 13.415 -4.034 5.877 250 2HE LYS 32 1HE LYS 32 14.891 -4.472 5.019 251 1HZ LYS 32 1HZ LYS 32 13.980 -1.892 5.903 252 2HZ LYS 32 2HZ LYS 32 14.511 -1.902 4.289 253 3HZ LYS 32 3HZ LYS 32 15.549 -2.419 5.531 254 H LYS 33 H LYS 33 10.332 -6.251 1.572 255 HA LYS 33 HA LYS 33 12.272 -6.308 -0.647 256 1HB LYS 33 2HB LYS 33 13.118 -6.810 2.010 257 2HB LYS 33 1HB LYS 33 13.026 -8.382 1.213 258 1HG LYS 33 2HG LYS 33 14.207 -6.952 -0.754 259 2HG LYS 33 1HG LYS 33 14.816 -6.077 0.652 260 1HD LYS 33 2HD LYS 33 14.936 -8.945 1.088 261 2HD LYS 33 1HD LYS 33 15.812 -8.492 -0.375 262 1HE LYS 33 2HE LYS 33 17.430 -7.407 0.788 263 2HE LYS 33 1HE LYS 33 16.267 -6.671 1.892 264 1HZ LYS 33 1HZ LYS 33 16.249 -9.379 2.437 265 2HZ LYS 33 2HZ LYS 33 16.906 -8.141 3.397 266 3HZ LYS 33 3HZ LYS 33 17.885 -8.960 2.276 267 H GLY 34 H GLY 34 9.568 -6.852 -0.769 268 1HA GLY 34 2HA GLY 34 8.392 -8.584 -1.949 269 2HA GLY 34 1HA GLY 34 9.607 -9.743 -1.408 270 H ASN 35 H ASN 35 8.909 -7.975 1.268 271 HA ASN 35 HA ASN 35 6.755 -9.879 2.098 272 1HB ASN 35 2HB ASN 35 7.681 -9.478 4.435 273 2HB ASN 35 1HB ASN 35 8.744 -10.374 3.349 274 1HD2 ASN 35 1HD2 ASN 35 8.532 -7.574 5.340 275 2HD2 ASN 35 2HD2 ASN 35 9.973 -6.831 4.836 276 H ILE 36 H ILE 36 5.014 -8.471 1.597 277 HA ILE 36 HA ILE 36 4.760 -5.746 1.998 278 HB ILE 36 HB ILE 36 2.963 -7.214 1.091 279 1HG1 ILE 36 2HG1 ILE 36 1.516 -5.906 3.290 280 2HG1 ILE 36 1HG1 ILE 36 2.712 -4.862 2.522 281 1HG2 ILE 36 1HG2 ILE 36 1.792 -7.789 3.711 282 2HG2 ILE 36 2HG2 ILE 36 3.330 -8.615 3.461 283 3HG2 ILE 36 3HG2 ILE 36 2.005 -8.854 2.322 284 1HD1 ILE 36 1HD1 ILE 36 0.805 -6.497 0.858 285 2HD1 ILE 36 2HD1 ILE 36 1.695 -5.044 0.406 286 3HD1 ILE 36 3HD1 ILE 36 0.322 -4.929 1.506 287 H GLU 37 H GLU 37 5.206 -4.514 3.744 288 HA GLU 37 HA GLU 37 4.628 -5.658 6.448 289 1HB GLU 37 2HB GLU 37 7.119 -5.189 5.607 290 2HB GLU 37 1HB GLU 37 6.715 -3.546 6.109 291 1HG GLU 37 2HG GLU 37 5.834 -5.508 8.072 292 2HG GLU 37 1HG GLU 37 7.569 -5.617 7.779 293 H SER 38 H SER 38 3.128 -3.818 4.488 294 HA SER 38 HA SER 38 2.028 -2.054 6.489 295 1HB SER 38 2HB SER 38 2.851 0.038 5.827 296 2HB SER 38 1HB SER 38 4.288 -0.975 5.721 297 HG SER 38 HG SER 38 3.972 -1.139 3.517 298 H SER 39 H SER 39 -0.057 -2.474 5.850 299 HA SER 39 HA SER 39 -0.751 -1.806 3.026 300 1HB SER 39 2HB SER 39 -2.443 -3.743 3.211 301 2HB SER 39 1HB SER 39 -0.752 -4.172 2.969 302 HG SER 39 HG SER 39 -2.286 -4.997 4.879 303 H GLU 40 H GLU 40 -1.939 0.030 3.362 304 HA GLU 40 HA GLU 40 -4.024 -0.032 5.502 305 1HB GLU 40 2HB GLU 40 -2.098 1.874 5.037 306 2HB GLU 40 1HB GLU 40 -3.481 2.540 4.169 307 1HG GLU 40 2HG GLU 40 -4.291 1.461 6.742 308 2HG GLU 40 1HG GLU 40 -3.022 2.668 6.936 309 H VAL 41 H VAL 41 -6.178 0.406 4.928 310 HA VAL 41 HA VAL 41 -6.704 0.434 1.984 311 HB VAL 41 HB VAL 41 -8.753 -0.342 4.045 312 1HG1 VAL 41 1HG1 VAL 41 -9.891 -0.614 2.114 313 2HG1 VAL 41 2HG1 VAL 41 -8.842 -1.994 1.793 314 3HG1 VAL 41 3HG1 VAL 41 -8.431 -0.404 1.149 315 1HG2 VAL 41 1HG2 VAL 41 -7.642 -2.723 3.122 316 2HG2 VAL 41 2HG2 VAL 41 -7.421 -2.037 4.732 317 3HG2 VAL 41 3HG2 VAL 41 -6.236 -1.715 3.465 318 H ILE 42 H ILE 42 -7.559 2.290 1.198 319 HA ILE 42 HA ILE 42 -9.048 4.058 3.099 320 HB ILE 42 HB ILE 42 -7.502 5.024 0.685 321 1HG1 ILE 42 2HG1 ILE 42 -6.486 5.214 3.515 322 2HG1 ILE 42 1HG1 ILE 42 -6.136 3.786 2.540 323 1HG2 ILE 42 1HG2 ILE 42 -8.872 6.263 3.056 324 2HG2 ILE 42 2HG2 ILE 42 -8.972 6.713 1.354 325 3HG2 ILE 42 3HG2 ILE 42 -7.527 7.106 2.286 326 1HD1 ILE 42 1HD1 ILE 42 -4.462 4.912 1.544 327 2HD1 ILE 42 2HD1 ILE 42 -4.877 6.370 2.444 328 3HD1 ILE 42 3HD1 ILE 42 -5.645 6.045 0.891 329 H GLU 43 H GLU 43 -11.166 4.167 2.538 330 HA GLU 43 HA GLU 43 -11.955 3.459 -0.228 331 1HB GLU 43 2HB GLU 43 -14.298 3.634 0.790 332 2HB GLU 43 1HB GLU 43 -13.267 2.353 1.428 333 1HG GLU 43 2HG GLU 43 -12.894 4.881 2.846 334 2HG GLU 43 1HG GLU 43 -14.557 4.300 2.937 335 H ASN 44 H ASN 44 -12.429 5.011 -1.696 336 HA ASN 44 HA ASN 44 -12.113 7.773 -1.232 337 1HB ASN 44 2HB ASN 44 -12.596 6.185 -3.438 338 2HB ASN 44 1HB ASN 44 -14.068 7.150 -3.328 339 1HD2 ASN 44 1HD2 ASN 44 -12.968 8.018 -5.468 340 2HD2 ASN 44 2HD2 ASN 44 -11.931 9.349 -5.276 341 HA PRO 45 HA PRO 45 -15.985 8.366 0.962 342 1HB PRO 45 2HB PRO 45 -15.366 10.907 1.811 343 2HB PRO 45 1HB PRO 45 -14.787 9.437 2.616 344 1HG PRO 45 2HG PRO 45 -13.291 11.332 0.867 345 2HG PRO 45 1HG PRO 45 -12.684 10.268 2.147 346 1HD PRO 45 2HD PRO 45 -12.508 9.782 -0.637 347 2HD PRO 45 1HD PRO 45 -12.206 8.599 0.653 348 H SER 46 H SER 46 -14.513 10.740 -1.251 349 HA SER 46 HA SER 46 -17.007 12.153 -1.728 350 1HB SER 46 2HB SER 46 -15.677 13.074 -3.721 351 2HB SER 46 1HB SER 46 -15.023 13.404 -2.119 352 HG SER 46 HG SER 46 -13.308 12.399 -2.771 353 H ALA 47 H ALA 47 -15.766 9.168 -2.777 354 HA ALA 47 HA ALA 47 -16.528 8.886 -5.433 355 1HB ALA 47 1HB ALA 47 -17.463 6.535 -4.422 356 2HB ALA 47 2HB ALA 47 -16.437 7.074 -3.092 357 3HB ALA 47 3HB ALA 47 -15.754 6.865 -4.704 358 H SER 48 H SER 48 -18.651 8.861 -2.578 359 HA SER 48 HA SER 48 -20.980 9.007 -4.453 360 1HB SER 48 2HB SER 48 -21.372 8.289 -1.584 361 2HB SER 48 1HB SER 48 -22.237 7.723 -3.010 362 HG SER 48 HG SER 48 -20.135 6.629 -1.735 363 H ALA 49 H ALA 49 -20.962 11.292 -4.629 364 HA ALA 49 HA ALA 49 -22.430 12.754 -2.701 365 1HB ALA 49 1HB ALA 49 -20.848 13.128 -1.121 366 2HB ALA 49 2HB ALA 49 -20.131 14.239 -2.289 367 3HB ALA 49 3HB ALA 49 -19.548 12.580 -2.179 368 H SER 50 H SER 50 -19.563 13.370 -4.763 369 HA SER 50 HA SER 50 -21.207 15.419 -6.197 370 1HB SER 50 2HB SER 50 -19.418 16.627 -5.286 371 2HB SER 50 1HB SER 50 -18.288 15.291 -5.483 372 HG SER 50 HG SER 50 -17.872 16.793 -7.075 373 H GLY 51 H GLY 51 -22.038 13.860 -7.704 374 1HA GLY 51 2HA GLY 51 -20.303 12.099 -9.202 375 2HA GLY 51 1HA GLY 51 -21.974 12.484 -9.611 376 H GLY 52 H GLY 52 -20.333 12.313 -11.725 377 1HA GLY 52 2HA GLY 52 -20.540 14.210 -13.479 378 2HA GLY 52 1HA GLY 52 -19.506 15.110 -12.367 379 H ALA 53 H ALA 53 -17.605 13.373 -11.601 380 HA ALA 53 HA ALA 53 -16.496 12.159 -14.090 381 1HB ALA 53 1HB ALA 53 -15.000 13.848 -14.221 382 2HB ALA 53 2HB ALA 53 -14.281 13.201 -12.747 383 3HB ALA 53 3HB ALA 53 -15.484 14.488 -12.650 384 H GLY 54 H GLY 54 -14.066 11.294 -13.022 385 1HA GLY 54 2HA GLY 54 -14.291 10.118 -10.418 386 2HA GLY 54 1HA GLY 54 -14.794 8.942 -11.633 387 H ILE 55 H ILE 55 -12.944 9.883 -13.687 388 HA ILE 55 HA ILE 55 -10.593 8.396 -12.818 389 HB ILE 55 HB ILE 55 -11.081 9.985 -15.356 390 1HG1 ILE 55 2HG1 ILE 55 -12.679 8.100 -14.942 391 2HG1 ILE 55 1HG1 ILE 55 -11.647 7.828 -16.346 392 1HG2 ILE 55 1HG2 ILE 55 -8.771 9.691 -15.322 393 2HG2 ILE 55 2HG2 ILE 55 -9.285 8.198 -16.108 394 3HG2 ILE 55 3HG2 ILE 55 -8.872 8.195 -14.393 395 1HD1 ILE 55 1HD1 ILE 55 -11.574 5.777 -15.161 396 2HD1 ILE 55 2HD1 ILE 55 -11.434 6.589 -13.602 397 3HD1 ILE 55 3HD1 ILE 55 -10.072 6.590 -14.723 398 H ARG 56 H ARG 56 -11.534 11.495 -12.193 399 HA ARG 56 HA ARG 56 -9.021 12.886 -12.671 400 1HB ARG 56 2HB ARG 56 -10.072 14.632 -11.165 401 2HB ARG 56 1HB ARG 56 -11.033 14.208 -12.583 402 1HG ARG 56 2HG ARG 56 -12.738 13.668 -11.218 403 2HG ARG 56 1HG ARG 56 -11.749 12.369 -10.552 404 1HD ARG 56 2HD ARG 56 -10.684 14.494 -9.245 405 2HD ARG 56 1HD ARG 56 -12.347 15.049 -9.436 406 HE ARG 56 HE ARG 56 -11.620 12.470 -8.102 407 1HH1 ARG 56 2HH1 ARG 56 -12.667 15.498 -7.342 408 2HH1 ARG 56 1HH1 ARG 56 -14.154 15.021 -6.595 409 1HH2 ARG 56 1HH2 ARG 56 -13.942 11.729 -7.665 410 2HH2 ARG 56 2HH2 ARG 56 -14.877 12.887 -6.778 411 H THR 57 H THR 57 -10.059 10.627 -10.369 412 HA THR 57 HA THR 57 -8.525 11.641 -8.107 413 HB THR 57 HB THR 57 -10.491 10.146 -7.820 414 HG1 THR 57 HG1 THR 57 -8.614 10.212 -6.351 415 1HG2 THR 57 1HG2 THR 57 -10.357 7.809 -8.426 416 2HG2 THR 57 2HG2 THR 57 -8.688 7.997 -8.961 417 3HG2 THR 57 3HG2 THR 57 -9.994 8.765 -9.862 418 H ALA 58 H ALA 58 -7.878 9.623 -10.885 419 HA ALA 58 HA ALA 58 -5.679 8.113 -10.065 420 1HB ALA 58 1HB ALA 58 -5.685 9.639 -12.675 421 2HB ALA 58 2HB ALA 58 -6.746 8.257 -12.400 422 3HB ALA 58 3HB ALA 58 -4.996 8.049 -12.343 423 H GLN 59 H GLN 59 -5.759 11.561 -10.919 424 HA GLN 59 HA GLN 59 -2.955 12.037 -10.806 425 1HB GLN 59 2HB GLN 59 -4.595 13.681 -11.676 426 2HB GLN 59 1HB GLN 59 -5.209 13.917 -10.041 427 1HG GLN 59 2HG GLN 59 -3.657 15.689 -10.377 428 2HG GLN 59 1HG GLN 59 -2.796 14.506 -9.392 429 1HE2 GLN 59 1HE2 GLN 59 -3.339 15.231 -12.893 430 2HE2 GLN 59 2HE2 GLN 59 -1.756 14.837 -13.365 431 H ILE 60 H ILE 60 -5.393 12.672 -8.254 432 HA ILE 60 HA ILE 60 -3.587 13.299 -6.188 433 HB ILE 60 HB ILE 60 -6.209 11.794 -5.930 434 1HG1 ILE 60 2HG1 ILE 60 -5.545 14.752 -6.048 435 2HG1 ILE 60 1HG1 ILE 60 -6.564 13.845 -7.166 436 1HG2 ILE 60 1HG2 ILE 60 -5.167 13.702 -3.882 437 2HG2 ILE 60 2HG2 ILE 60 -4.417 12.108 -3.966 438 3HG2 ILE 60 3HG2 ILE 60 -6.149 12.252 -3.669 439 1HD1 ILE 60 1HD1 ILE 60 -8.247 13.503 -5.498 440 2HD1 ILE 60 2HD1 ILE 60 -7.810 15.210 -5.413 441 3HD1 ILE 60 3HD1 ILE 60 -7.184 14.078 -4.214 442 H ILE 61 H ILE 61 -4.364 10.205 -7.601 443 HA ILE 61 HA ILE 61 -3.332 8.600 -5.416 444 HB ILE 61 HB ILE 61 -3.764 7.962 -8.350 445 1HG1 ILE 61 2HG1 ILE 61 -5.377 7.379 -5.844 446 2HG1 ILE 61 1HG1 ILE 61 -5.828 8.488 -7.139 447 1HG2 ILE 61 1HG2 ILE 61 -2.052 6.553 -6.983 448 2HG2 ILE 61 2HG2 ILE 61 -3.319 5.700 -7.867 449 3HG2 ILE 61 3HG2 ILE 61 -3.470 5.948 -6.127 450 1HD1 ILE 61 1HD1 ILE 61 -5.584 5.476 -7.278 451 2HD1 ILE 61 2HD1 ILE 61 -5.671 6.488 -8.721 452 3HD1 ILE 61 3HD1 ILE 61 -7.016 6.461 -7.580 453 H ALA 62 H ALA 62 -1.970 9.894 -8.430 454 HA ALA 62 HA ALA 62 0.571 8.567 -8.188 455 1HB ALA 62 1HB ALA 62 0.899 9.524 -10.201 456 2HB ALA 62 2HB ALA 62 0.793 11.137 -9.495 457 3HB ALA 62 3HB ALA 62 -0.671 10.310 -10.031 458 H ASN 63 H ASN 63 -0.748 11.538 -6.848 459 HA ASN 63 HA ASN 63 1.760 12.669 -5.999 460 1HB ASN 63 2HB ASN 63 -0.139 14.127 -6.079 461 2HB ASN 63 1HB ASN 63 -1.090 13.052 -5.054 462 1HD2 ASN 63 1HD2 ASN 63 -1.149 13.660 -2.889 463 2HD2 ASN 63 2HD2 ASN 63 0.026 14.602 -2.107 464 H ASN 64 H ASN 64 0.110 9.905 -4.977 465 HA ASN 64 HA ASN 64 0.964 10.077 -2.164 466 1HB ASN 64 2HB ASN 64 -1.153 8.878 -3.094 467 2HB ASN 64 1HB ASN 64 -0.038 7.576 -3.514 468 1HD2 ASN 64 1HD2 ASN 64 -1.728 6.662 -1.702 469 2HD2 ASN 64 2HD2 ASN 64 -1.118 6.706 -0.119 470 H GLY 65 H GLY 65 2.139 8.777 -5.177 471 1HA GLY 65 2HA GLY 65 4.601 8.372 -5.265 472 2HA GLY 65 1HA GLY 65 4.450 7.602 -3.684 473 H VAL 66 H VAL 66 1.861 6.333 -4.553 474 HA VAL 66 HA VAL 66 2.681 3.769 -5.201 475 HB VAL 66 HB VAL 66 0.414 3.560 -6.391 476 1HG1 VAL 66 1HG1 VAL 66 -0.770 4.298 -4.127 477 2HG1 VAL 66 2HG1 VAL 66 0.898 4.457 -3.576 478 3HG1 VAL 66 3HG1 VAL 66 0.310 2.904 -4.170 479 1HG2 VAL 66 1HG2 VAL 66 0.700 6.443 -6.207 480 2HG2 VAL 66 2HG2 VAL 66 -0.766 5.909 -5.387 481 3HG2 VAL 66 3HG2 VAL 66 -0.506 5.501 -7.084 482 H LYS 67 H LYS 67 4.387 3.684 -6.686 483 HA LYS 67 HA LYS 67 4.125 4.910 -9.327 484 1HB LYS 67 2HB LYS 67 6.154 3.080 -8.038 485 2HB LYS 67 1HB LYS 67 6.229 3.470 -9.756 486 1HG LYS 67 2HG LYS 67 5.821 5.836 -8.081 487 2HG LYS 67 1HG LYS 67 7.326 4.992 -7.715 488 1HD LYS 67 2HD LYS 67 7.847 4.985 -10.172 489 2HD LYS 67 1HD LYS 67 6.420 5.991 -10.429 490 1HE LYS 67 2HE LYS 67 8.171 7.561 -10.258 491 2HE LYS 67 1HE LYS 67 7.463 7.556 -8.643 492 1HZ LYS 67 1HZ LYS 67 10.087 7.042 -9.307 493 2HZ LYS 67 2HZ LYS 67 9.433 5.531 -8.889 494 3HZ LYS 67 3HZ LYS 67 9.358 6.825 -7.791 495 H ALA 68 H ALA 68 2.786 2.215 -7.881 496 HA ALA 68 HA ALA 68 2.521 0.857 -10.540 497 1HB ALA 68 1HB ALA 68 3.816 -0.568 -9.053 498 2HB ALA 68 2HB ALA 68 2.204 -1.263 -9.230 499 3HB ALA 68 3HB ALA 68 2.624 -0.372 -7.768 500 H VAL 69 H VAL 69 0.435 0.707 -11.253 501 HA VAL 69 HA VAL 69 -1.733 1.093 -9.226 502 HB VAL 69 HB VAL 69 -1.654 2.092 -12.090 503 1HG1 VAL 69 1HG1 VAL 69 -3.773 3.319 -10.952 504 2HG1 VAL 69 2HG1 VAL 69 -3.809 1.800 -10.059 505 3HG1 VAL 69 3HG1 VAL 69 -3.914 1.790 -11.820 506 1HG2 VAL 69 1HG2 VAL 69 -2.074 4.243 -10.428 507 2HG2 VAL 69 2HG2 VAL 69 -0.505 3.783 -11.087 508 3HG2 VAL 69 3HG2 VAL 69 -0.970 3.259 -9.468 509 H ILE 70 H ILE 70 -2.622 -0.917 -9.005 510 HA ILE 70 HA ILE 70 -2.841 -2.684 -11.370 511 HB ILE 70 HB ILE 70 -3.404 -3.082 -8.421 512 1HG1 ILE 70 2HG1 ILE 70 -1.481 -4.606 -10.173 513 2HG1 ILE 70 1HG1 ILE 70 -1.017 -3.059 -9.465 514 1HG2 ILE 70 1HG2 ILE 70 -3.996 -5.375 -8.932 515 2HG2 ILE 70 2HG2 ILE 70 -3.654 -5.127 -10.644 516 3HG2 ILE 70 3HG2 ILE 70 -5.029 -4.318 -9.893 517 1HD1 ILE 70 1HD1 ILE 70 -1.241 -5.671 -8.195 518 2HD1 ILE 70 2HD1 ILE 70 -2.194 -4.452 -7.350 519 3HD1 ILE 70 3HD1 ILE 70 -0.467 -4.204 -7.600 520 H ALA 71 H ALA 71 -4.632 -2.441 -12.622 521 HA ALA 71 HA ALA 71 -7.288 -2.470 -11.430 522 1HB ALA 71 1HB ALA 71 -7.027 -0.069 -13.117 523 2HB ALA 71 2HB ALA 71 -6.168 0.033 -11.579 524 3HB ALA 71 3HB ALA 71 -7.902 -0.291 -11.602 525 H SER 72 H SER 72 -8.951 -2.019 -13.305 526 HA SER 72 HA SER 72 -7.874 -2.943 -15.920 527 1HB SER 72 2HB SER 72 -10.287 -4.223 -14.614 528 2HB SER 72 1HB SER 72 -9.487 -4.720 -16.102 529 HG SER 72 HG SER 72 -8.586 -6.023 -14.644 530 H SER 73 H SER 73 -8.504 -0.409 -15.755 531 HA SER 73 HA SER 73 -11.144 0.500 -15.812 532 1HB SER 73 2HB SER 73 -10.268 2.230 -17.480 533 2HB SER 73 1HB SER 73 -9.392 2.113 -15.956 534 HG SER 73 HG SER 73 -8.606 0.484 -18.092 535 HA PRO 74 HA PRO 74 -12.922 -1.302 -19.405 536 1HB PRO 74 2HB PRO 74 -14.919 0.542 -19.825 537 2HB PRO 74 1HB PRO 74 -14.965 -0.673 -18.536 538 1HG PRO 74 2HG PRO 74 -14.438 2.255 -18.337 539 2HG PRO 74 1HG PRO 74 -15.091 1.147 -17.119 540 1HD PRO 74 2HD PRO 74 -12.431 2.115 -17.228 541 2HD PRO 74 1HD PRO 74 -13.016 0.775 -16.219 542 H GLY 75 H GLY 75 -11.736 1.984 -19.423 543 1HA GLY 75 2HA GLY 75 -11.335 1.767 -22.372 544 2HA GLY 75 1HA GLY 75 -11.982 3.256 -21.682 545 HA PRO 76 HA PRO 76 -7.265 3.170 -21.477 546 1HB PRO 76 2HB PRO 76 -6.681 4.508 -23.803 547 2HB PRO 76 1HB PRO 76 -6.776 2.743 -23.687 548 1HG PRO 76 2HG PRO 76 -8.708 4.647 -24.921 549 2HG PRO 76 1HG PRO 76 -8.436 2.935 -25.281 550 1HD PRO 76 2HD PRO 76 -10.560 4.007 -23.728 551 2HD PRO 76 1HD PRO 76 -10.121 2.291 -23.871 552 H ASN 77 H ASN 77 -9.537 5.098 -20.701 553 HA ASN 77 HA ASN 77 -8.548 7.761 -21.305 554 1HB ASN 77 2HB ASN 77 -10.936 7.266 -20.747 555 2HB ASN 77 1HB ASN 77 -10.437 6.889 -19.098 556 1HD2 ASN 77 1HD2 ASN 77 -11.115 9.488 -21.331 557 2HD2 ASN 77 2HD2 ASN 77 -10.800 10.762 -20.255 558 H ALA 78 H ALA 78 -8.884 6.189 -18.106 559 HA ALA 78 HA ALA 78 -6.977 7.888 -16.834 560 1HB ALA 78 1HB ALA 78 -8.749 5.975 -15.983 561 2HB ALA 78 2HB ALA 78 -7.512 6.710 -14.963 562 3HB ALA 78 3HB ALA 78 -7.205 5.157 -15.740 563 H PHE 79 H PHE 79 -6.630 4.692 -18.361 564 HA PHE 79 HA PHE 79 -3.983 4.109 -17.614 565 1HB PHE 79 2HB PHE 79 -5.684 3.453 -19.982 566 2HB PHE 79 1HB PHE 79 -3.956 3.122 -20.098 567 HD1 PHE 79 HD1 PHE 79 -3.532 0.862 -19.703 568 HD2 PHE 79 HD2 PHE 79 -6.433 2.912 -17.283 569 HE1 PHE 79 HE1 PHE 79 -3.828 -1.182 -18.327 570 HE2 PHE 79 HE2 PHE 79 -6.729 0.867 -15.907 571 HZ PHE 79 HZ PHE 79 -5.426 -1.179 -16.429 572 H GLU 80 H GLU 80 -5.177 6.390 -20.025 573 HA GLU 80 HA GLU 80 -2.556 6.885 -21.188 574 1HB GLU 80 2HB GLU 80 -5.286 7.749 -21.634 575 2HB GLU 80 1HB GLU 80 -4.189 9.131 -21.649 576 1HG GLU 80 2HG GLU 80 -2.698 7.731 -23.199 577 2HG GLU 80 1HG GLU 80 -4.081 6.651 -23.372 578 H VAL 81 H VAL 81 -4.546 8.434 -18.688 579 HA VAL 81 HA VAL 81 -2.927 10.749 -18.309 580 HB VAL 81 HB VAL 81 -4.712 9.200 -16.418 581 1HG1 VAL 81 1HG1 VAL 81 -3.459 11.926 -15.976 582 2HG1 VAL 81 2HG1 VAL 81 -2.912 10.444 -15.193 583 3HG1 VAL 81 3HG1 VAL 81 -4.530 11.067 -14.870 584 1HG2 VAL 81 1HG2 VAL 81 -6.189 10.243 -17.824 585 2HG2 VAL 81 2HG2 VAL 81 -5.006 11.442 -18.343 586 3HG2 VAL 81 3HG2 VAL 81 -5.843 11.637 -16.803 587 H LEU 82 H LEU 82 -2.909 7.656 -16.499 588 HA LEU 82 HA LEU 82 -0.663 8.261 -14.874 589 1HB LEU 82 2HB LEU 82 -1.663 5.597 -15.920 590 2HB LEU 82 1HB LEU 82 -0.425 5.768 -14.673 591 HG LEU 82 HG LEU 82 -2.418 7.428 -13.743 592 1HD1 LEU 82 1HD1 LEU 82 -4.388 6.856 -14.671 593 2HD1 LEU 82 2HD1 LEU 82 -4.182 5.226 -14.031 594 3HD1 LEU 82 3HD1 LEU 82 -3.599 5.618 -15.648 595 1HD2 LEU 82 1HD2 LEU 82 -1.638 6.100 -12.068 596 2HD2 LEU 82 2HD2 LEU 82 -1.361 4.739 -13.154 597 3HD2 LEU 82 3HD2 LEU 82 -2.974 5.036 -12.507 598 H ASN 83 H ASN 83 -0.841 7.535 -18.244 599 HA ASN 83 HA ASN 83 1.882 6.527 -18.492 600 1HB ASN 83 2HB ASN 83 -0.178 6.272 -20.120 601 2HB ASN 83 1HB ASN 83 0.406 7.804 -20.772 602 1HD2 ASN 83 1HD2 ASN 83 2.672 7.834 -21.613 603 2HD2 ASN 83 2HD2 ASN 83 3.393 6.389 -22.137 604 H GLU 84 H GLU 84 0.302 9.658 -19.212 605 HA GLU 84 HA GLU 84 2.706 10.987 -20.025 606 1HB GLU 84 2HB GLU 84 -0.059 11.714 -19.464 607 2HB GLU 84 1HB GLU 84 1.065 12.947 -18.892 608 1HG GLU 84 2HG GLU 84 1.507 13.616 -20.996 609 2HG GLU 84 1HG GLU 84 1.867 11.963 -21.500 610 H LEU 85 H LEU 85 1.189 10.510 -16.865 611 HA LEU 85 HA LEU 85 2.903 12.330 -15.435 612 1HB LEU 85 2HB LEU 85 0.873 10.319 -14.787 613 2HB LEU 85 1HB LEU 85 2.181 10.376 -13.604 614 HG LEU 85 HG LEU 85 1.427 13.059 -14.364 615 1HD1 LEU 85 1HD1 LEU 85 -0.843 13.146 -13.921 616 2HD1 LEU 85 2HD1 LEU 85 -0.813 11.686 -12.933 617 3HD1 LEU 85 3HD1 LEU 85 -0.754 11.561 -14.692 618 1HD2 LEU 85 1HD2 LEU 85 0.772 11.985 -11.677 619 2HD2 LEU 85 2HD2 LEU 85 1.729 13.398 -12.122 620 3HD2 LEU 85 3HD2 LEU 85 2.449 11.788 -12.187 621 H GLY 86 H GLY 86 3.434 9.235 -16.810 622 1HA GLY 86 2HA GLY 86 5.503 8.079 -16.946 623 2HA GLY 86 1HA GLY 86 6.181 9.224 -15.786 624 H ILE 87 H ILE 87 3.168 7.640 -15.052 625 HA ILE 87 HA ILE 87 4.449 6.344 -12.735 626 HB ILE 87 HB ILE 87 1.550 6.480 -13.619 627 1HG1 ILE 87 2HG1 ILE 87 2.389 7.778 -11.120 628 2HG1 ILE 87 1HG1 ILE 87 3.156 8.466 -12.551 629 1HG2 ILE 87 1HG2 ILE 87 1.106 5.684 -11.285 630 2HG2 ILE 87 2HG2 ILE 87 2.838 5.407 -11.092 631 3HG2 ILE 87 3HG2 ILE 87 1.925 4.482 -12.284 632 1HD1 ILE 87 1HD1 ILE 87 0.939 8.735 -13.609 633 2HD1 ILE 87 2HD1 ILE 87 1.022 9.605 -12.078 634 3HD1 ILE 87 3HD1 ILE 87 0.174 8.062 -12.170 635 H LYS 88 H LYS 88 3.985 4.026 -12.277 636 HA LYS 88 HA LYS 88 4.215 2.437 -14.772 637 1HB LYS 88 2HB LYS 88 5.562 2.292 -12.382 638 2HB LYS 88 1HB LYS 88 4.346 1.030 -12.183 639 1HG LYS 88 2HG LYS 88 5.032 0.246 -14.540 640 2HG LYS 88 1HG LYS 88 6.450 1.274 -14.333 641 1HD LYS 88 2HD LYS 88 5.636 -0.835 -12.320 642 2HD LYS 88 1HD LYS 88 6.772 -1.146 -13.634 643 1HE LYS 88 2HE LYS 88 8.324 -0.465 -12.102 644 2HE LYS 88 1HE LYS 88 7.823 1.145 -12.616 645 1HZ LYS 88 1HZ LYS 88 6.896 -0.379 -10.252 646 2HZ LYS 88 2HZ LYS 88 6.085 0.998 -10.829 647 3HZ LYS 88 3HZ LYS 88 7.689 1.119 -10.281 648 H ILE 89 H ILE 89 2.285 1.760 -15.592 649 HA ILE 89 HA ILE 89 -0.047 1.416 -13.851 650 HB ILE 89 HB ILE 89 0.247 0.720 -16.787 651 1HG1 ILE 89 2HG1 ILE 89 -1.012 3.254 -15.796 652 2HG1 ILE 89 1HG1 ILE 89 0.747 3.174 -15.905 653 1HG2 ILE 89 1HG2 ILE 89 -1.750 -0.252 -15.983 654 2HG2 ILE 89 2HG2 ILE 89 -2.275 1.301 -16.633 655 3HG2 ILE 89 3HG2 ILE 89 -2.072 1.097 -14.894 656 1HD1 ILE 89 1HD1 ILE 89 -1.211 3.435 -18.036 657 2HD1 ILE 89 2HD1 ILE 89 -0.161 2.043 -18.300 658 3HD1 ILE 89 3HD1 ILE 89 0.538 3.649 -18.098 659 H TYR 90 H TYR 90 -1.336 -0.684 -14.070 660 HA TYR 90 HA TYR 90 0.278 -3.094 -14.597 661 1HB TYR 90 2HB TYR 90 -0.242 -2.055 -11.897 662 2HB TYR 90 1HB TYR 90 -0.759 -3.726 -12.115 663 HD1 TYR 90 HD1 TYR 90 0.929 -5.355 -13.228 664 HD2 TYR 90 HD2 TYR 90 2.029 -1.554 -11.550 665 HE1 TYR 90 HE1 TYR 90 3.289 -6.105 -13.073 666 HE2 TYR 90 HE2 TYR 90 4.389 -2.305 -11.397 667 HH TYR 90 HH TYR 90 5.318 -5.627 -12.245 668 H ARG 91 H ARG 91 -1.065 -4.629 -15.448 669 HA ARG 91 HA ARG 91 -3.937 -4.085 -15.565 670 1HB ARG 91 2HB ARG 91 -2.760 -5.024 -17.515 671 2HB ARG 91 1HB ARG 91 -2.324 -6.450 -16.572 672 1HG ARG 91 2HG ARG 91 -5.019 -6.386 -16.169 673 2HG ARG 91 1HG ARG 91 -4.916 -5.721 -17.800 674 1HD ARG 91 2HD ARG 91 -4.249 -7.702 -18.696 675 2HD ARG 91 1HD ARG 91 -3.187 -8.065 -17.335 676 HE ARG 91 HE ARG 91 -6.110 -8.344 -16.910 677 1HH1 ARG 91 1HH2 ARG 91 -4.150 -9.472 -14.982 678 2HH1 ARG 91 2HH2 ARG 91 -4.078 -11.139 -15.449 679 1HH2 ARG 91 2HH1 ARG 91 -5.522 -10.606 -18.555 680 2HH2 ARG 91 1HH1 ARG 91 -4.857 -11.780 -17.471 681 H ALA 92 H ALA 92 -5.517 -5.083 -14.350 682 HA ALA 92 HA ALA 92 -4.619 -6.740 -12.084 683 1HB ALA 92 1HB ALA 92 -7.488 -6.058 -12.705 684 2HB ALA 92 2HB ALA 92 -6.402 -4.845 -12.026 685 3HB ALA 92 3HB ALA 92 -6.734 -6.330 -11.134 686 H THR 93 H THR 93 -5.386 -8.880 -11.695 687 HA THR 93 HA THR 93 -5.948 -10.392 -14.156 688 HB THR 93 HB THR 93 -5.637 -12.373 -12.750 689 HG1 THR 93 HG1 THR 93 -5.091 -10.790 -10.526 690 1HG2 THR 93 1HG2 THR 93 -3.708 -10.500 -13.340 691 2HG2 THR 93 2HG2 THR 93 -3.389 -12.113 -12.702 692 3HG2 THR 93 3HG2 THR 93 -3.484 -10.735 -11.605 693 H GLY 94 H GLY 94 -7.655 -9.253 -11.326 694 1HA GLY 94 2HA GLY 94 -10.014 -9.131 -11.063 695 2HA GLY 94 1HA GLY 94 -10.198 -10.100 -12.526 696 H THR 95 H THR 95 -8.941 -10.457 -9.191 697 HA THR 95 HA THR 95 -10.449 -13.008 -8.996 698 HB THR 95 HB THR 95 -7.735 -13.103 -7.830 699 HG1 THR 95 HG1 THR 95 -6.898 -13.644 -9.954 700 1HG2 THR 95 1HG2 THR 95 -8.008 -15.352 -8.152 701 2HG2 THR 95 2HG2 THR 95 -8.779 -15.138 -9.724 702 3HG2 THR 95 3HG2 THR 95 -9.709 -14.896 -8.246 703 H SER 96 H SER 96 -7.999 -11.278 -7.039 704 HA SER 96 HA SER 96 -9.919 -10.309 -5.120 705 1HB SER 96 2HB SER 96 -8.551 -12.010 -3.395 706 2HB SER 96 1HB SER 96 -10.218 -12.207 -3.929 707 HG SER 96 HG SER 96 -9.549 -13.576 -5.509 708 H VAL 97 H VAL 97 -8.934 -8.661 -4.011 709 HA VAL 97 HA VAL 97 -6.316 -7.800 -4.616 710 HB VAL 97 HB VAL 97 -6.536 -6.398 -2.524 711 1HG1 VAL 97 1HG1 VAL 97 -9.153 -6.257 -3.970 712 2HG1 VAL 97 2HG1 VAL 97 -7.673 -6.044 -4.906 713 3HG1 VAL 97 3HG1 VAL 97 -8.028 -4.962 -3.560 714 1HG2 VAL 97 1HG2 VAL 97 -8.688 -8.376 -2.101 715 2HG2 VAL 97 2HG2 VAL 97 -9.169 -6.705 -1.811 716 3HG2 VAL 97 3HG2 VAL 97 -7.812 -7.399 -0.923 717 H GLU 98 H GLU 98 -7.372 -10.267 -2.443 718 HA GLU 98 HA GLU 98 -5.119 -10.240 -0.651 719 1HB GLU 98 2HB GLU 98 -7.496 -11.732 -0.939 720 2HB GLU 98 1HB GLU 98 -6.178 -12.900 -1.056 721 1HG GLU 98 2HG GLU 98 -6.411 -10.822 1.138 722 2HG GLU 98 1HG GLU 98 -6.943 -12.496 1.302 723 H GLU 99 H GLU 99 -5.840 -12.294 -3.504 724 HA GLU 99 HA GLU 99 -3.230 -13.532 -3.482 725 1HB GLU 99 2HB GLU 99 -5.440 -13.341 -5.532 726 2HB GLU 99 1HB GLU 99 -3.905 -14.128 -5.904 727 1HG GLU 99 2HG GLU 99 -4.616 -15.166 -3.410 728 2HG GLU 99 1HG GLU 99 -6.136 -15.108 -4.306 729 H ASN 100 H ASN 100 -4.623 -10.758 -5.208 730 HA ASN 100 HA ASN 100 -2.445 -10.261 -6.967 731 1HB ASN 100 2HB ASN 100 -4.714 -8.695 -5.870 732 2HB ASN 100 1HB ASN 100 -3.341 -7.747 -6.444 733 1HD2 ASN 100 1HD2 ASN 100 -5.113 -7.127 -8.145 734 2HD2 ASN 100 2HD2 ASN 100 -5.213 -8.113 -9.523 735 H LEU 101 H LEU 101 -2.972 -9.362 -3.582 736 HA LEU 101 HA LEU 101 -0.793 -7.558 -3.297 737 1HB LEU 101 2HB LEU 101 -2.701 -8.318 -1.615 738 2HB LEU 101 1HB LEU 101 -1.464 -9.454 -1.076 739 HG LEU 101 HG LEU 101 0.116 -7.533 -0.810 740 1HD1 LEU 101 1HD1 LEU 101 -1.020 -5.247 -0.726 741 2HD1 LEU 101 2HD1 LEU 101 -2.374 -5.992 -1.577 742 3HD1 LEU 101 3HD1 LEU 101 -0.782 -5.925 -2.337 743 1HD2 LEU 101 1HD2 LEU 101 -0.785 -8.067 1.253 744 2HD2 LEU 101 2HD2 LEU 101 -2.444 -7.810 0.712 745 3HD2 LEU 101 3HD2 LEU 101 -1.414 -6.428 1.085 746 H LYS 102 H LYS 102 -0.916 -11.083 -2.700 747 HA LYS 102 HA LYS 102 1.921 -11.288 -2.186 748 1HB LYS 102 2HB LYS 102 -0.354 -13.030 -2.169 749 2HB LYS 102 1HB LYS 102 0.901 -13.770 -3.163 750 1HG LYS 102 2HG LYS 102 1.818 -14.463 -1.215 751 2HG LYS 102 1HG LYS 102 2.324 -12.786 -0.999 752 1HD LYS 102 2HD LYS 102 0.849 -12.458 0.679 753 2HD LYS 102 1HD LYS 102 -0.463 -13.203 -0.234 754 1HE LYS 102 2HE LYS 102 -0.018 -15.327 0.591 755 2HE LYS 102 1HE LYS 102 1.682 -14.964 0.894 756 1HZ LYS 102 1HZ LYS 102 0.507 -15.087 2.965 757 2HZ LYS 102 2HZ LYS 102 -0.644 -13.953 2.437 758 3HZ LYS 102 3HZ LYS 102 0.967 -13.477 2.693 759 H LEU 103 H LEU 103 0.060 -10.952 -5.038 760 HA LEU 103 HA LEU 103 1.828 -12.359 -6.853 761 1HB LEU 103 2HB LEU 103 -0.616 -10.812 -7.015 762 2HB LEU 103 1HB LEU 103 0.511 -10.315 -8.277 763 HG LEU 103 HG LEU 103 0.165 -13.244 -7.793 764 1HD1 LEU 103 1HD1 LEU 103 -2.050 -13.200 -8.202 765 2HD1 LEU 103 2HD1 LEU 103 -1.689 -12.537 -9.795 766 3HD1 LEU 103 3HD1 LEU 103 -2.016 -11.454 -8.443 767 1HD2 LEU 103 1HD2 LEU 103 0.648 -13.353 -10.154 768 2HD2 LEU 103 2HD2 LEU 103 1.782 -12.203 -9.446 769 3HD2 LEU 103 3HD2 LEU 103 0.380 -11.620 -10.344 770 H PHE 104 H PHE 104 1.443 -8.930 -5.936 771 HA PHE 104 HA PHE 104 3.506 -7.934 -7.646 772 1HB PHE 104 2HB PHE 104 1.689 -6.665 -6.246 773 2HB PHE 104 1HB PHE 104 2.909 -6.692 -4.973 774 HD1 PHE 104 HD1 PHE 104 1.814 -5.085 -7.997 775 HD2 PHE 104 HD2 PHE 104 5.260 -5.816 -5.537 776 HE1 PHE 104 HE1 PHE 104 2.987 -3.185 -9.078 777 HE2 PHE 104 HE2 PHE 104 6.435 -3.917 -6.618 778 HZ PHE 104 HZ PHE 104 5.300 -2.601 -8.389 779 H THR 105 H THR 105 3.653 -9.781 -4.747 780 HA THR 105 HA THR 105 6.214 -8.863 -3.788 781 HB THR 105 HB THR 105 4.702 -11.460 -3.400 782 HG1 THR 105 HG1 THR 105 3.711 -9.959 -2.243 783 1HG2 THR 105 1HG2 THR 105 7.327 -10.516 -2.231 784 2HG2 THR 105 2HG2 THR 105 7.014 -12.014 -3.106 785 3HG2 THR 105 3HG2 THR 105 6.347 -11.780 -1.491 786 H GLU 106 H GLU 106 5.206 -11.278 -6.159 787 HA GLU 106 HA GLU 106 8.026 -12.118 -6.538 788 1HB GLU 106 2HB GLU 106 5.589 -13.122 -8.027 789 2HB GLU 106 1HB GLU 106 7.157 -13.913 -7.867 790 1HG GLU 106 2HG GLU 106 5.843 -13.256 -5.305 791 2HG GLU 106 1HG GLU 106 5.002 -14.463 -6.278 792 H GLY 107 H GLY 107 5.747 -9.922 -7.828 793 1HA GLY 107 2HA GLY 107 5.980 -8.391 -9.601 794 2HA GLY 107 1HA GLY 107 7.628 -8.979 -9.816 795 H ASN 108 H ASN 108 4.525 -10.734 -10.009 796 HA ASN 108 HA ASN 108 5.399 -11.778 -12.649 797 1HB ASN 108 2HB ASN 108 4.693 -13.472 -11.064 798 2HB ASN 108 1HB ASN 108 3.179 -12.619 -10.764 799 1HD2 ASN 108 1HD2 ASN 108 4.468 -15.165 -12.525 800 2HD2 ASN 108 2HD2 ASN 108 3.316 -15.240 -13.769 801 H LEU 109 H LEU 109 2.938 -9.767 -11.155 802 HA LEU 109 HA LEU 109 1.024 -9.714 -13.243 803 1HB LEU 109 2HB LEU 109 1.803 -7.268 -11.649 804 2HB LEU 109 1HB LEU 109 0.211 -7.708 -12.268 805 HG LEU 109 HG LEU 109 1.093 -9.857 -10.626 806 1HD1 LEU 109 1HD1 LEU 109 0.924 -7.777 -8.659 807 2HD1 LEU 109 2HD1 LEU 109 2.223 -7.380 -9.784 808 3HD1 LEU 109 3HD1 LEU 109 2.237 -8.923 -8.930 809 1HD2 LEU 109 1HD2 LEU 109 -0.972 -9.505 -9.567 810 2HD2 LEU 109 2HD2 LEU 109 -1.239 -8.789 -11.157 811 3HD2 LEU 109 3HD2 LEU 109 -0.887 -7.755 -9.771 812 H GLU 110 H GLU 110 0.746 -8.127 -14.969 813 HA GLU 110 HA GLU 110 3.355 -7.333 -16.144 814 1HB GLU 110 2HB GLU 110 1.971 -6.918 -18.200 815 2HB GLU 110 1HB GLU 110 1.890 -8.582 -17.621 816 1HG GLU 110 2HG GLU 110 -0.271 -8.301 -16.733 817 2HG GLU 110 1HG GLU 110 -0.133 -6.543 -16.712 818 H GLU 111 H GLU 111 3.820 -5.172 -16.679 819 HA GLU 111 HA GLU 111 1.941 -3.157 -15.514 820 1HB GLU 111 2HB GLU 111 3.994 -1.717 -15.284 821 2HB GLU 111 1HB GLU 111 4.036 -3.177 -14.296 822 1HG GLU 111 2HG GLU 111 5.127 -3.495 -17.025 823 2HG GLU 111 1HG GLU 111 6.052 -2.422 -15.974 824 H ILE 112 H ILE 112 2.086 -0.982 -16.633 825 HA ILE 112 HA ILE 112 2.799 -1.234 -19.516 826 HB ILE 112 HB ILE 112 0.161 -0.277 -18.371 827 1HG1 ILE 112 2HG1 ILE 112 0.736 -2.321 -20.533 828 2HG1 ILE 112 1HG1 ILE 112 0.564 -2.750 -18.831 829 1HG2 ILE 112 1HG2 ILE 112 -0.117 -0.088 -21.072 830 2HG2 ILE 112 2HG2 ILE 112 1.570 0.392 -20.890 831 3HG2 ILE 112 3HG2 ILE 112 0.303 1.277 -20.039 832 1HD1 ILE 112 1HD1 ILE 112 -1.701 -2.018 -18.768 833 2HD1 ILE 112 2HD1 ILE 112 -1.553 -2.926 -20.271 834 3HD1 ILE 112 3HD1 ILE 112 -1.545 -1.163 -20.303 835 H ARG 113 H ARG 113 4.165 0.408 -19.987 836 HA ARG 113 HA ARG 113 3.903 2.942 -18.418 837 1HB ARG 113 2HB ARG 113 6.098 1.360 -18.513 838 2HB ARG 113 1HB ARG 113 6.410 2.383 -19.915 839 1HG ARG 113 2HG ARG 113 5.502 4.139 -17.918 840 2HG ARG 113 1HG ARG 113 6.612 3.041 -17.098 841 1HD ARG 113 2HD ARG 113 7.882 4.919 -17.983 842 2HD ARG 113 1HD ARG 113 8.292 3.470 -18.902 843 HE ARG 113 HE ARG 113 6.154 5.175 -20.024 844 1HH1 ARG 113 2HH1 ARG 113 8.892 6.531 -20.028 845 2HH1 ARG 113 1HH1 ARG 113 9.488 6.070 -21.588 846 1HH2 ARG 113 1HH2 ARG 113 7.151 3.546 -22.030 847 2HH2 ARG 113 2HH2 ARG 113 8.500 4.381 -22.723 848 H SER 114 H SER 114 3.885 1.499 -21.567 849 HA SER 114 HA SER 114 3.361 4.187 -22.731 850 1HB SER 114 2HB SER 114 4.743 3.590 -24.713 851 2HB SER 114 1HB SER 114 5.705 3.699 -23.241 852 HG SER 114 HG SER 114 5.695 1.712 -24.830 853 HA PRO 115 HA PRO 115 0.120 2.056 -24.788 854 1HB PRO 115 2HB PRO 115 -0.183 3.692 -26.973 855 2HB PRO 115 1HB PRO 115 -0.712 4.135 -25.340 856 1HG PRO 115 2HG PRO 115 1.649 5.115 -26.876 857 2HG PRO 115 1HG PRO 115 0.735 5.920 -25.590 858 1HD PRO 115 2HD PRO 115 3.242 4.638 -25.291 859 2HD PRO 115 1HD PRO 115 2.170 5.158 -23.973 860 H GLY 116 H GLY 116 -0.454 1.309 -27.189 861 1HA GLY 116 2HA GLY 116 0.618 0.719 -29.387 862 2HA GLY 116 1HA GLY 116 2.066 0.312 -28.463 863 H SER 117 H SER 117 1.370 -1.728 -29.923 864 HA SER 117 HA SER 117 0.552 -3.763 -28.047 865 1HB SER 117 2HB SER 117 -1.373 -4.044 -30.166 866 2HB SER 117 1HB SER 117 -1.659 -3.908 -28.433 867 HG SER 117 HG SER 117 -1.788 -2.004 -30.428 868 H GLY 118 H GLY 118 -0.073 -5.846 -29.632 869 1HA GLY 118 2HA GLY 118 2.349 -6.115 -31.299 870 2HA GLY 118 1HA GLY 118 1.272 -7.427 -30.822 871 H ARG 119 H ARG 119 2.280 -6.573 -33.539 872 HA ARG 119 HA ARG 119 0.279 -5.343 -35.092 873 1HB ARG 119 2HB ARG 119 2.526 -5.995 -35.946 874 2HB ARG 119 1HB ARG 119 2.020 -7.685 -35.920 875 1HG ARG 119 2HG ARG 119 0.712 -7.458 -37.775 876 2HG ARG 119 1HG ARG 119 0.179 -5.840 -37.323 877 1HD ARG 119 2HD ARG 119 3.046 -6.131 -38.059 878 2HD ARG 119 1HD ARG 119 1.877 -6.285 -39.370 879 HE ARG 119 HE ARG 119 2.598 -3.826 -38.084 880 1HH1 ARG 119 2HH1 ARG 119 1.268 -4.121 -40.785 881 2HH1 ARG 119 1HH1 ARG 119 -0.276 -3.389 -40.494 882 1HH2 ARG 119 1HH2 ARG 119 0.017 -3.520 -37.041 883 2HH2 ARG 119 2HH2 ARG 119 -0.983 -3.048 -38.374 884 H GLY 120 H GLY 120 -1.575 -6.136 -36.152 885 1HA GLY 120 2HA GLY 120 -2.837 -8.237 -36.829 886 2HA GLY 120 1HA GLY 120 -2.523 -8.807 -35.188 887 H ARG 121 H ARG 121 -5.126 -8.759 -35.800 888 HA ARG 121 HA ARG 121 -6.133 -6.214 -34.590 889 1HB ARG 121 2HB ARG 121 -8.277 -6.694 -35.761 890 2HB ARG 121 1HB ARG 121 -6.935 -6.483 -36.886 891 1HG ARG 121 2HG ARG 121 -7.452 -9.250 -35.910 892 2HG ARG 121 1HG ARG 121 -8.618 -8.572 -37.046 893 1HD ARG 121 2HD ARG 121 -6.043 -7.894 -38.023 894 2HD ARG 121 1HD ARG 121 -5.986 -9.601 -37.582 895 HE ARG 121 HE ARG 121 -8.062 -9.853 -39.045 896 1HH1 ARG 121 2HH1 ARG 121 -8.338 -6.887 -39.588 897 2HH1 ARG 121 1HH1 ARG 121 -7.627 -6.756 -41.161 898 1HH2 ARG 121 1HH2 ARG 121 -6.064 -9.847 -41.006 899 2HH2 ARG 121 2HH2 ARG 121 -6.340 -8.431 -41.964 900 H ARG 122 H ARG 122 -7.433 -6.398 -32.782 901 HA ARG 122 HA ARG 122 -8.007 -9.181 -31.842 902 1HB ARG 122 2HB ARG 122 -6.403 -7.326 -30.594 903 2HB ARG 122 1HB ARG 122 -7.957 -7.050 -29.806 904 1HG ARG 122 2HG ARG 122 -6.599 -8.782 -28.637 905 2HG ARG 122 1HG ARG 122 -8.127 -9.423 -29.240 906 1HD ARG 122 2HD ARG 122 -5.900 -9.582 -31.165 907 2HD ARG 122 1HD ARG 122 -5.682 -10.563 -29.716 908 HE ARG 122 HE ARG 122 -8.221 -11.227 -30.422 909 1HH1 ARG 122 1HH2 ARG 122 -5.118 -11.845 -31.547 910 2HH1 ARG 122 2HH2 ARG 122 -5.613 -12.611 -33.019 911 1HH2 ARG 122 2HH1 ARG 122 -8.963 -11.804 -32.621 912 2HH2 ARG 122 1HH1 ARG 122 -7.790 -12.586 -33.628 913 H ARG 123 H ARG 123 -10.160 -9.454 -32.331 914 HA ARG 123 HA ARG 123 -12.020 -7.241 -31.561 915 1HB ARG 123 2HB ARG 123 -11.921 -7.943 -34.011 916 2HB ARG 123 1HB ARG 123 -12.611 -9.485 -33.503 917 1HG ARG 123 2HG ARG 123 -14.476 -8.147 -34.141 918 2HG ARG 123 1HG ARG 123 -14.460 -8.110 -32.377 919 1HD ARG 123 2HD ARG 123 -14.519 -5.855 -32.606 920 2HD ARG 123 1HD ARG 123 -12.809 -5.999 -33.017 921 HE ARG 123 HE ARG 123 -13.677 -6.219 -35.448 922 1HH1 ARG 123 2HH1 ARG 123 -13.802 -3.497 -33.808 923 2HH1 ARG 123 1HH1 ARG 123 -15.268 -2.856 -34.471 924 1HH2 ARG 123 1HH2 ARG 123 -16.228 -5.851 -35.933 925 2HH2 ARG 123 2HH2 ARG 123 -16.642 -4.189 -35.673 926 H ARG 124 HN ARG 124 -11.117 -10.529 -31.007 927 HA ARG 124 HA ARG 124 -13.607 -10.942 -29.400 928 1HB ARG 124 2HB ARG 124 -11.650 -13.073 -30.293 929 2HB ARG 124 1HB ARG 124 -13.274 -13.306 -29.646 930 1HG ARG 124 2HG ARG 124 -14.308 -12.551 -31.609 931 2HG ARG 124 1HG ARG 124 -12.868 -11.682 -32.145 932 1HD ARG 124 2HD ARG 124 -12.163 -13.483 -33.292 933 2HD ARG 124 1HD ARG 124 -12.231 -14.472 -31.834 934 HE ARG 124 HE ARG 124 -14.563 -15.018 -32.400 935 1HH1 ARG 124 1HH1 ARG 124 -12.659 -15.464 -34.852 936 2HH1 ARG 124 2HH1 ARG 124 -13.703 -14.933 -36.128 937 1HH2 ARG 124 1HH2 ARG 124 -15.960 -13.389 -33.996 938 2HH2 ARG 124 2HH2 ARG 124 -15.572 -13.758 -35.643 Start of MODEL 5 1 1H MET 1 1H MET 1 7.883 3.403 -3.958 2 2H MET 1 2H MET 1 9.307 3.242 -4.872 3 3H MET 1 3H MET 1 9.230 2.609 -3.297 4 HA MET 1 HA MET 1 7.910 1.617 -5.748 5 1HB MET 1 2HB MET 1 10.254 0.895 -4.869 6 2HB MET 1 1HB MET 1 9.347 0.045 -3.617 7 1HG MET 1 2HG MET 1 8.024 -0.586 -6.004 8 2HG MET 1 1HG MET 1 9.740 -0.677 -6.404 9 1HE MET 1 1HE MET 1 11.499 -2.069 -5.077 10 2HE MET 1 2HE MET 1 11.138 -2.987 -3.617 11 3HE MET 1 3HE MET 1 10.974 -1.234 -3.609 12 H LYS 2 H LYS 2 5.802 2.380 -4.743 13 HA LYS 2 HA LYS 2 4.905 0.481 -2.611 14 1HB LYS 2 2HB LYS 2 4.295 3.349 -3.167 15 2HB LYS 2 1HB LYS 2 2.984 2.349 -2.541 16 1HG LYS 2 2HG LYS 2 3.893 2.891 -0.517 17 2HG LYS 2 1HG LYS 2 4.999 1.569 -0.899 18 1HD LYS 2 2HD LYS 2 6.468 3.318 -0.366 19 2HD LYS 2 1HD LYS 2 6.387 3.411 -2.127 20 1HE LYS 2 2HE LYS 2 4.675 5.171 -1.969 21 2HE LYS 2 1HE LYS 2 4.717 5.066 -0.209 22 1HZ LYS 2 1HZ LYS 2 6.680 6.200 -2.051 23 2HZ LYS 2 2HZ LYS 2 7.269 5.442 -0.650 24 3HZ LYS 2 3HZ LYS 2 6.186 6.746 -0.524 25 H ILE 3 H ILE 3 2.565 -0.164 -2.818 26 HA ILE 3 HA ILE 3 1.666 -0.190 -5.664 27 HB ILE 3 HB ILE 3 1.620 -2.548 -3.756 28 1HG1 ILE 3 2HG1 ILE 3 3.097 -2.606 -6.339 29 2HG1 ILE 3 1HG1 ILE 3 3.812 -1.641 -5.047 30 1HG2 ILE 3 1HG2 ILE 3 0.750 -2.231 -6.644 31 2HG2 ILE 3 2HG2 ILE 3 -0.291 -2.578 -5.264 32 3HG2 ILE 3 3HG2 ILE 3 0.880 -3.779 -5.810 33 1HD1 ILE 3 1HD1 ILE 3 3.576 -3.629 -3.524 34 2HD1 ILE 3 2HD1 ILE 3 4.683 -3.896 -4.871 35 3HD1 ILE 3 3HD1 ILE 3 3.055 -4.573 -4.920 36 H ALA 4 H ALA 4 -0.496 0.206 -5.919 37 HA ALA 4 HA ALA 4 -2.182 0.232 -3.448 38 1HB ALA 4 1HB ALA 4 -2.454 2.118 -5.806 39 2HB ALA 4 2HB ALA 4 -1.580 2.527 -4.329 40 3HB ALA 4 3HB ALA 4 -3.312 2.204 -4.268 41 H ILE 5 H ILE 5 -4.013 -0.999 -3.624 42 HA ILE 5 HA ILE 5 -4.712 -1.991 -6.356 43 HB ILE 5 HB ILE 5 -5.303 -3.240 -3.656 44 1HG1 ILE 5 2HG1 ILE 5 -3.533 -4.603 -5.587 45 2HG1 ILE 5 1HG1 ILE 5 -2.868 -3.114 -4.914 46 1HG2 ILE 5 1HG2 ILE 5 -6.785 -4.486 -4.804 47 2HG2 ILE 5 2HG2 ILE 5 -5.453 -5.098 -5.784 48 3HG2 ILE 5 3HG2 ILE 5 -6.354 -3.676 -6.310 49 1HD1 ILE 5 1HD1 ILE 5 -4.146 -5.174 -3.123 50 2HD1 ILE 5 2HD1 ILE 5 -2.982 -3.916 -2.704 51 3HD1 ILE 5 3HD1 ILE 5 -2.460 -5.331 -3.619 52 H ALA 6 H ALA 6 -6.556 -1.155 -7.175 53 HA ALA 6 HA ALA 6 -8.379 0.405 -5.539 54 1HB ALA 6 1HB ALA 6 -8.719 -0.625 -8.374 55 2HB ALA 6 2HB ALA 6 -7.974 0.913 -7.935 56 3HB ALA 6 3HB ALA 6 -9.686 0.637 -7.610 57 H SER 7 H SER 7 -10.771 -0.112 -5.488 58 HA SER 7 HA SER 7 -12.550 -1.577 -5.023 59 1HB SER 7 2HB SER 7 -11.093 -3.994 -5.937 60 2HB SER 7 1HB SER 7 -12.725 -3.453 -6.320 61 HG SER 7 HG SER 7 -11.389 -3.260 -8.132 62 H SER 8 H SER 8 -11.944 -4.483 -4.339 63 HA SER 8 HA SER 8 -11.175 -5.734 -2.491 64 1HB SER 8 2HB SER 8 -9.211 -3.825 -2.757 65 2HB SER 8 1HB SER 8 -9.805 -3.513 -1.129 66 HG SER 8 HG SER 8 -8.144 -5.364 -1.822 67 H GLY 9 H GLY 9 -13.223 -3.190 -2.540 68 1HA GLY 9 2HA GLY 9 -14.747 -2.266 -1.002 69 2HA GLY 9 1HA GLY 9 -14.791 -3.909 -0.362 70 H THR 10 H THR 10 -14.157 -4.122 1.727 71 HA THR 10 HA THR 10 -12.302 -2.049 2.830 72 HB THR 10 HB THR 10 -13.732 -2.958 5.010 73 HG1 THR 10 HG1 THR 10 -15.230 -4.005 3.726 74 1HG2 THR 10 1HG2 THR 10 -14.147 -0.743 5.223 75 2HG2 THR 10 2HG2 THR 10 -14.961 -0.659 3.661 76 3HG2 THR 10 3HG2 THR 10 -13.202 -0.567 3.745 77 H ASP 11 H ASP 11 -12.742 -5.297 2.142 78 HA ASP 11 HA ASP 11 -10.521 -6.009 3.984 79 1HB ASP 11 2HB ASP 11 -12.921 -7.814 3.614 80 2HB ASP 11 1HB ASP 11 -11.616 -7.973 4.791 81 H LEU 12 H LEU 12 -11.085 -8.898 3.077 82 HA LEU 12 HA LEU 12 -9.743 -8.595 0.430 83 1HB LEU 12 2HB LEU 12 -9.821 -10.930 2.365 84 2HB LEU 12 1HB LEU 12 -8.993 -10.943 0.808 85 HG LEU 12 HG LEU 12 -8.261 -8.594 2.348 86 1HD1 LEU 12 1HD1 LEU 12 -8.740 -10.808 3.964 87 2HD1 LEU 12 2HD1 LEU 12 -7.705 -9.439 4.371 88 3HD1 LEU 12 3HD1 LEU 12 -7.006 -10.891 3.652 89 1HD2 LEU 12 1HD2 LEU 12 -6.911 -9.321 0.509 90 2HD2 LEU 12 2HD2 LEU 12 -6.822 -10.967 1.136 91 3HD2 LEU 12 3HD2 LEU 12 -5.968 -9.662 1.959 92 H GLY 13 H GLY 13 -12.652 -9.663 1.937 93 1HA GLY 13 2HA GLY 13 -13.586 -11.716 0.301 94 2HA GLY 13 1HA GLY 13 -14.637 -10.450 0.938 95 H SER 14 H SER 14 -13.490 -8.237 -0.434 96 HA SER 14 HA SER 14 -14.781 -8.560 -3.019 97 1HB SER 14 2HB SER 14 -13.371 -6.325 -1.595 98 2HB SER 14 1HB SER 14 -13.686 -6.184 -3.322 99 HG SER 14 HG SER 14 -15.887 -6.565 -2.872 100 H GLU 15 H GLU 15 -13.403 -10.304 -3.869 101 HA GLU 15 HA GLU 15 -10.640 -10.263 -4.235 102 1HB GLU 15 2HB GLU 15 -11.292 -11.363 -6.564 103 2HB GLU 15 1HB GLU 15 -11.595 -12.213 -5.048 104 1HG GLU 15 2HG GLU 15 -13.872 -11.894 -5.161 105 2HG GLU 15 1HG GLU 15 -13.720 -10.354 -6.008 106 H VAL 16 H VAL 16 -12.335 -9.723 -7.254 107 HA VAL 16 HA VAL 16 -10.949 -7.090 -7.514 108 HB VAL 16 HB VAL 16 -10.485 -7.717 -9.910 109 1HG1 VAL 16 1HG1 VAL 16 -8.484 -8.876 -9.386 110 2HG1 VAL 16 2HG1 VAL 16 -9.225 -9.703 -8.016 111 3HG1 VAL 16 3HG1 VAL 16 -8.866 -7.979 -7.916 112 1HG2 VAL 16 1HG2 VAL 16 -10.886 -10.580 -9.105 113 2HG2 VAL 16 2HG2 VAL 16 -10.886 -9.863 -10.717 114 3HG2 VAL 16 3HG2 VAL 16 -12.278 -9.649 -9.657 115 H SER 17 H SER 17 -13.550 -7.065 -6.802 116 HA SER 17 HA SER 17 -15.151 -6.849 -9.300 117 1HB SER 17 2HB SER 17 -17.016 -7.211 -8.014 118 2HB SER 17 1HB SER 17 -15.841 -7.940 -6.924 119 HG SER 17 HG SER 17 -16.238 -6.396 -5.567 120 H ARG 18 H ARG 18 -15.819 -4.856 -10.065 121 HA ARG 18 HA ARG 18 -16.129 -2.517 -10.120 122 1HB ARG 18 2HB ARG 18 -15.145 -2.319 -7.281 123 2HB ARG 18 1HB ARG 18 -16.331 -1.313 -8.115 124 1HG ARG 18 2HG ARG 18 -17.625 -3.643 -8.295 125 2HG ARG 18 1HG ARG 18 -16.676 -3.995 -6.851 126 1HD ARG 18 2HD ARG 18 -17.613 -2.175 -5.655 127 2HD ARG 18 1HD ARG 18 -18.247 -1.432 -7.124 128 HE ARG 18 HE ARG 18 -19.361 -3.918 -5.891 129 1HH1 ARG 18 1HH2 ARG 18 -20.370 -0.887 -6.139 130 2HH1 ARG 18 2HH2 ARG 18 -21.696 -1.149 -7.222 131 1HH2 ARG 18 2HH1 ARG 18 -20.724 -4.373 -8.052 132 2HH2 ARG 18 1HH1 ARG 18 -21.897 -3.124 -8.305 133 H PHE 19 H PHE 19 -14.205 -2.768 -11.534 134 HA PHE 19 HA PHE 19 -11.565 -2.283 -10.374 135 1HB PHE 19 2HB PHE 19 -11.006 -1.948 -12.915 136 2HB PHE 19 1HB PHE 19 -11.408 -3.560 -12.326 137 HD1 PHE 19 HD1 PHE 19 -13.294 -0.496 -13.427 138 HD2 PHE 19 HD2 PHE 19 -12.857 -4.763 -13.683 139 HE1 PHE 19 HE1 PHE 19 -15.207 -0.599 -15.004 140 HE2 PHE 19 HE2 PHE 19 -14.769 -4.865 -15.260 141 HZ PHE 19 HZ PHE 19 -15.944 -2.783 -15.921 142 H PHE 20 H PHE 20 -10.290 -0.434 -11.752 143 HA PHE 20 HA PHE 20 -10.874 2.031 -10.687 144 1HB PHE 20 2HB PHE 20 -8.941 1.267 -12.290 145 2HB PHE 20 1HB PHE 20 -9.975 1.929 -13.554 146 HD1 PHE 20 HD1 PHE 20 -9.493 3.086 -10.025 147 HD2 PHE 20 HD2 PHE 20 -8.947 3.942 -14.201 148 HE1 PHE 20 HE1 PHE 20 -8.733 5.378 -9.456 149 HE2 PHE 20 HE2 PHE 20 -8.185 6.232 -13.632 150 HZ PHE 20 HZ PHE 20 -8.078 6.951 -11.259 151 H GLY 21 H GLY 21 -12.316 3.686 -11.069 152 1HA GLY 21 2HA GLY 21 -13.653 4.557 -13.241 153 2HA GLY 21 1HA GLY 21 -14.561 3.086 -12.889 154 H ARG 22 H ARG 22 -15.119 2.938 -10.389 155 HA ARG 22 HA ARG 22 -15.636 5.561 -9.161 156 1HB ARG 22 2HB ARG 22 -17.537 4.741 -10.891 157 2HB ARG 22 1HB ARG 22 -18.079 3.888 -9.446 158 1HG ARG 22 2HG ARG 22 -19.159 5.923 -9.160 159 2HG ARG 22 1HG ARG 22 -17.654 6.236 -8.295 160 1HD ARG 22 2HD ARG 22 -17.537 8.062 -9.654 161 2HD ARG 22 1HD ARG 22 -16.926 6.905 -10.837 162 HE ARG 22 HE ARG 22 -19.770 6.901 -10.980 163 1HH1 ARG 22 2HH1 ARG 22 -17.389 7.547 -12.996 164 2HH1 ARG 22 1HH1 ARG 22 -17.989 9.038 -13.641 165 1HH2 ARG 22 1HH2 ARG 22 -20.416 9.427 -11.195 166 2HH2 ARG 22 2HH2 ARG 22 -19.703 10.102 -12.621 167 H ALA 23 H ALA 23 -14.397 2.751 -8.668 168 HA ALA 23 HA ALA 23 -15.926 1.589 -6.511 169 1HB ALA 23 1HB ALA 23 -14.250 0.297 -7.775 170 2HB ALA 23 2HB ALA 23 -13.869 0.300 -6.054 171 3HB ALA 23 3HB ALA 23 -12.973 1.344 -7.158 172 HA PRO 24 HA PRO 24 -14.569 4.773 -3.630 173 1HB PRO 24 2HB PRO 24 -16.496 4.200 -1.761 174 2HB PRO 24 1HB PRO 24 -16.795 5.201 -3.193 175 1HG PRO 24 2HG PRO 24 -17.675 2.415 -2.642 176 2HG PRO 24 1HG PRO 24 -18.380 3.617 -3.735 177 1HD PRO 24 2HD PRO 24 -16.714 1.421 -4.471 178 2HD PRO 24 1HD PRO 24 -17.248 2.748 -5.521 179 H TYR 25 H TYR 25 -12.922 2.559 -3.654 180 HA TYR 25 HA TYR 25 -12.437 2.122 -0.803 181 1HB TYR 25 2HB TYR 25 -13.143 -0.206 -2.615 182 2HB TYR 25 1HB TYR 25 -12.475 -0.362 -0.992 183 HD1 TYR 25 HD1 TYR 25 -15.444 0.439 -2.977 184 HD2 TYR 25 HD2 TYR 25 -13.786 0.360 0.988 185 HE1 TYR 25 HE1 TYR 25 -17.723 0.656 -2.020 186 HE2 TYR 25 HE2 TYR 25 -16.065 0.577 1.945 187 HH TYR 25 HH TYR 25 -18.826 -0.002 0.266 188 H PHE 26 H PHE 26 -10.600 3.397 -1.900 189 HA PHE 26 HA PHE 26 -8.785 1.804 -3.571 190 1HB PHE 26 2HB PHE 26 -8.610 4.572 -2.360 191 2HB PHE 26 1HB PHE 26 -7.290 3.848 -3.280 192 HD1 PHE 26 HD1 PHE 26 -10.990 4.439 -3.532 193 HD2 PHE 26 HD2 PHE 26 -7.227 4.167 -5.589 194 HE1 PHE 26 HE1 PHE 26 -12.102 5.093 -5.652 195 HE2 PHE 26 HE2 PHE 26 -8.338 4.821 -7.709 196 HZ PHE 26 HZ PHE 26 -10.776 5.283 -7.741 197 H MET 27 H MET 27 -7.417 0.346 -2.676 198 HA MET 27 HA MET 27 -6.762 0.569 0.206 199 1HB MET 27 2HB MET 27 -6.231 -1.616 -1.830 200 2HB MET 27 1HB MET 27 -5.767 -1.704 -0.130 201 1HG MET 27 2HG MET 27 -8.420 -0.974 0.026 202 2HG MET 27 1HG MET 27 -8.410 -2.056 -1.366 203 1HE MET 27 1HE MET 27 -9.538 -2.139 1.861 204 2HE MET 27 2HE MET 27 -7.960 -1.536 2.360 205 3HE MET 27 3HE MET 27 -8.509 -3.114 2.919 206 H ILE 28 H ILE 28 -4.887 1.515 0.818 207 HA ILE 28 HA ILE 28 -2.752 1.894 -1.220 208 HB ILE 28 HB ILE 28 -3.249 3.173 1.484 209 1HG1 ILE 28 2HG1 ILE 28 -4.700 4.068 -0.214 210 2HG1 ILE 28 1HG1 ILE 28 -3.391 5.231 -0.001 211 1HG2 ILE 28 1HG2 ILE 28 -1.301 4.661 0.735 212 2HG2 ILE 28 2HG2 ILE 28 -0.926 3.400 -0.440 213 3HG2 ILE 28 3HG2 ILE 28 -0.878 3.041 1.287 214 1HD1 ILE 28 1HD1 ILE 28 -2.203 4.010 -1.917 215 2HD1 ILE 28 2HD1 ILE 28 -3.615 4.971 -2.358 216 3HD1 ILE 28 3HD1 ILE 28 -3.747 3.217 -2.226 217 H VAL 29 H VAL 29 -1.032 0.515 -1.156 218 HA VAL 29 HA VAL 29 -0.330 -0.695 1.488 219 HB VAL 29 HB VAL 29 -0.468 -2.019 -1.232 220 1HG1 VAL 29 1HG1 VAL 29 1.277 -3.293 -0.589 221 2HG1 VAL 29 2HG1 VAL 29 0.261 -3.909 0.714 222 3HG1 VAL 29 3HG1 VAL 29 1.319 -2.527 1.000 223 1HG2 VAL 29 1HG2 VAL 29 -2.575 -2.213 -0.234 224 2HG2 VAL 29 2HG2 VAL 29 -1.907 -2.273 1.397 225 3HG2 VAL 29 3HG2 VAL 29 -1.776 -3.677 0.338 226 H GLU 30 H GLU 30 1.845 -0.669 1.976 227 HA GLU 30 HA GLU 30 3.696 0.292 -0.170 228 1HB GLU 30 2HB GLU 30 3.281 2.097 1.434 229 2HB GLU 30 1HB GLU 30 3.690 1.026 2.775 230 1HG GLU 30 2HG GLU 30 5.845 0.872 0.942 231 2HG GLU 30 1HG GLU 30 5.458 2.583 1.119 232 H MET 31 H MET 31 5.620 -0.843 -0.341 233 HA MET 31 HA MET 31 6.031 -3.035 1.655 234 1HB MET 31 2HB MET 31 5.582 -3.324 -1.038 235 2HB MET 31 1HB MET 31 7.345 -3.313 -0.970 236 1HG MET 31 2HG MET 31 7.313 -5.093 0.719 237 2HG MET 31 1HG MET 31 5.550 -5.086 0.714 238 1HE MET 31 1HE MET 31 4.332 -5.001 -1.714 239 2HE MET 31 2HE MET 31 4.124 -6.490 -0.795 240 3HE MET 31 3HE MET 31 4.445 -6.568 -2.526 241 H LYS 32 H LYS 32 8.140 -3.357 2.433 242 HA LYS 32 HA LYS 32 9.937 -1.035 2.133 243 1HB LYS 32 2HB LYS 32 9.306 -2.543 4.294 244 2HB LYS 32 1HB LYS 32 10.765 -3.378 3.763 245 1HG LYS 32 2HG LYS 32 11.460 -1.652 5.292 246 2HG LYS 32 1HG LYS 32 11.906 -1.117 3.671 247 1HD LYS 32 2HD LYS 32 9.595 0.060 3.650 248 2HD LYS 32 1HD LYS 32 9.623 -0.170 5.398 249 1HE LYS 32 2HE LYS 32 10.918 1.660 5.580 250 2HE LYS 32 1HE LYS 32 12.179 0.817 4.680 251 1HZ LYS 32 1HZ LYS 32 11.446 1.699 2.676 252 2HZ LYS 32 2HZ LYS 32 11.309 3.008 3.750 253 3HZ LYS 32 3HZ LYS 32 9.927 2.130 3.294 254 H LYS 33 H LYS 33 10.455 -4.583 2.088 255 HA LYS 33 HA LYS 33 12.035 -4.311 -0.388 256 1HB LYS 33 2HB LYS 33 13.296 -4.321 2.158 257 2HB LYS 33 1HB LYS 33 13.592 -5.900 1.433 258 1HG LYS 33 2HG LYS 33 14.530 -4.900 -0.549 259 2HG LYS 33 1HG LYS 33 14.030 -3.287 -0.036 260 1HD LYS 33 2HD LYS 33 15.559 -4.388 2.089 261 2HD LYS 33 1HD LYS 33 16.456 -4.691 0.600 262 1HE LYS 33 2HE LYS 33 17.040 -2.490 1.569 263 2HE LYS 33 1HE LYS 33 16.273 -2.315 -0.010 264 1HZ LYS 33 1HZ LYS 33 14.365 -1.500 0.899 265 2HZ LYS 33 2HZ LYS 33 15.485 -0.912 2.033 266 3HZ LYS 33 3HZ LYS 33 14.575 -2.305 2.377 267 H GLY 34 H GLY 34 9.849 -5.599 -0.659 268 1HA GLY 34 2HA GLY 34 9.114 -7.717 -1.436 269 2HA GLY 34 1HA GLY 34 10.590 -8.433 -0.788 270 H ASN 35 H ASN 35 8.882 -6.391 1.382 271 HA ASN 35 HA ASN 35 7.377 -8.665 2.553 272 1HB ASN 35 2HB ASN 35 9.443 -8.849 3.747 273 2HB ASN 35 1HB ASN 35 9.556 -7.101 3.954 274 1HD2 ASN 35 1HD2 ASN 35 6.681 -9.202 4.457 275 2HD2 ASN 35 2HD2 ASN 35 6.500 -8.817 6.101 276 H ILE 36 H ILE 36 5.375 -7.694 2.374 277 HA ILE 36 HA ILE 36 4.685 -5.013 2.449 278 HB ILE 36 HB ILE 36 3.116 -7.221 3.814 279 1HG1 ILE 36 2HG1 ILE 36 2.125 -6.696 1.222 280 2HG1 ILE 36 1HG1 ILE 36 3.874 -6.834 1.045 281 1HG2 ILE 36 1HG2 ILE 36 1.245 -5.662 2.776 282 2HG2 ILE 36 2HG2 ILE 36 2.513 -4.440 2.869 283 3HG2 ILE 36 3HG2 ILE 36 1.975 -5.263 4.332 284 1HD1 ILE 36 1HD1 ILE 36 3.210 -8.897 2.802 285 2HD1 ILE 36 2HD1 ILE 36 3.585 -9.072 1.087 286 3HD1 ILE 36 3HD1 ILE 36 1.909 -8.912 1.611 287 H GLU 37 H GLU 37 4.515 -3.437 4.024 288 HA GLU 37 HA GLU 37 4.784 -4.237 6.870 289 1HB GLU 37 2HB GLU 37 6.897 -3.065 5.291 290 2HB GLU 37 1HB GLU 37 6.407 -1.941 6.558 291 1HG GLU 37 2HG GLU 37 6.439 -4.338 7.908 292 2HG GLU 37 1HG GLU 37 7.785 -4.531 6.783 293 H SER 38 H SER 38 2.849 -2.846 4.841 294 HA SER 38 HA SER 38 1.738 -1.000 6.780 295 1HB SER 38 2HB SER 38 2.531 0.983 6.043 296 2HB SER 38 1HB SER 38 3.711 0.070 5.108 297 HG SER 38 HG SER 38 1.115 0.888 4.283 298 H SER 39 H SER 39 -0.422 -1.243 6.503 299 HA SER 39 HA SER 39 -1.501 -1.403 3.740 300 1HB SER 39 2HB SER 39 -1.979 -3.444 5.926 301 2HB SER 39 1HB SER 39 -2.995 -3.305 4.493 302 HG SER 39 HG SER 39 -0.190 -3.507 4.279 303 H GLU 40 H GLU 40 -2.849 0.338 3.745 304 HA GLU 40 HA GLU 40 -4.754 0.593 6.037 305 1HB GLU 40 2HB GLU 40 -2.738 2.410 5.441 306 2HB GLU 40 1HB GLU 40 -4.158 3.109 4.661 307 1HG GLU 40 2HG GLU 40 -4.953 2.120 7.223 308 2HG GLU 40 1HG GLU 40 -3.506 3.103 7.441 309 H VAL 41 H VAL 41 -6.851 1.460 5.425 310 HA VAL 41 HA VAL 41 -7.396 1.154 2.500 311 HB VAL 41 HB VAL 41 -8.468 -0.523 4.054 312 1HG1 VAL 41 1HG1 VAL 41 -10.582 1.243 4.932 313 2HG1 VAL 41 2HG1 VAL 41 -9.025 1.814 5.534 314 3HG1 VAL 41 3HG1 VAL 41 -9.562 0.174 5.895 315 1HG2 VAL 41 1HG2 VAL 41 -10.698 1.107 2.924 316 2HG2 VAL 41 2HG2 VAL 41 -10.354 -0.612 2.729 317 3HG2 VAL 41 3HG2 VAL 41 -9.440 0.580 1.805 318 H ILE 42 H ILE 42 -8.648 2.744 1.479 319 HA ILE 42 HA ILE 42 -9.527 5.054 3.149 320 HB ILE 42 HB ILE 42 -7.882 5.208 0.603 321 1HG1 ILE 42 2HG1 ILE 42 -7.164 6.520 3.198 322 2HG1 ILE 42 1HG1 ILE 42 -6.899 4.782 3.043 323 1HG2 ILE 42 1HG2 ILE 42 -8.158 7.743 1.800 324 2HG2 ILE 42 2HG2 ILE 42 -9.779 7.050 1.788 325 3HG2 ILE 42 3HG2 ILE 42 -8.875 7.206 0.281 326 1HD1 ILE 42 1HD1 ILE 42 -5.909 5.732 0.654 327 2HD1 ILE 42 2HD1 ILE 42 -4.931 5.359 2.073 328 3HD1 ILE 42 3HD1 ILE 42 -5.461 7.015 1.778 329 H GLU 43 H GLU 43 -11.542 5.764 2.571 330 HA GLU 43 HA GLU 43 -12.729 4.584 0.098 331 1HB GLU 43 2HB GLU 43 -13.878 5.465 2.736 332 2HB GLU 43 1HB GLU 43 -14.909 5.374 1.309 333 1HG GLU 43 2HG GLU 43 -15.157 3.188 1.863 334 2HG GLU 43 1HG GLU 43 -13.543 2.989 1.181 335 H ASN 44 H ASN 44 -13.326 5.938 -1.539 336 HA ASN 44 HA ASN 44 -12.529 8.643 -1.648 337 1HB ASN 44 2HB ASN 44 -14.349 6.904 -3.235 338 2HB ASN 44 1HB ASN 44 -14.530 8.646 -3.450 339 1HD2 ASN 44 1HD2 ASN 44 -12.872 9.770 -4.588 340 2HD2 ASN 44 2HD2 ASN 44 -11.507 9.001 -5.241 341 HA PRO 45 HA PRO 45 -15.815 10.131 1.050 342 1HB PRO 45 2HB PRO 45 -14.603 12.551 1.532 343 2HB PRO 45 1HB PRO 45 -14.199 11.061 2.403 344 1HG PRO 45 2HG PRO 45 -12.657 12.467 0.269 345 2HG PRO 45 1HG PRO 45 -12.071 11.415 1.569 346 1HD PRO 45 2HD PRO 45 -12.408 10.668 -1.136 347 2HD PRO 45 1HD PRO 45 -12.159 9.557 0.228 348 H SER 46 H SER 46 -14.323 12.877 -0.668 349 HA SER 46 HA SER 46 -17.013 13.552 -1.742 350 1HB SER 46 2HB SER 46 -14.551 15.104 -1.087 351 2HB SER 46 1HB SER 46 -15.556 15.697 -2.406 352 HG SER 46 HG SER 46 -15.954 16.115 0.100 353 H ALA 47 H ALA 47 -16.531 11.631 -3.284 354 HA ALA 47 HA ALA 47 -14.581 12.119 -5.399 355 1HB ALA 47 1HB ALA 47 -16.728 10.259 -6.076 356 2HB ALA 47 2HB ALA 47 -16.015 9.901 -4.503 357 3HB ALA 47 3HB ALA 47 -14.994 9.964 -5.941 358 H SER 48 H SER 48 -18.074 12.550 -4.986 359 HA SER 48 HA SER 48 -18.219 13.718 -7.721 360 1HB SER 48 2HB SER 48 -20.048 12.215 -6.060 361 2HB SER 48 1HB SER 48 -20.771 13.753 -6.520 362 HG SER 48 HG SER 48 -21.191 12.414 -8.193 363 H ALA 49 H ALA 49 -17.276 15.763 -7.316 364 HA ALA 49 HA ALA 49 -19.046 17.782 -6.284 365 1HB ALA 49 1HB ALA 49 -16.768 18.121 -4.585 366 2HB ALA 49 2HB ALA 49 -17.393 16.489 -4.347 367 3HB ALA 49 3HB ALA 49 -18.451 17.881 -4.115 368 H SER 50 H SER 50 -15.593 17.005 -6.771 369 HA SER 50 HA SER 50 -15.377 19.553 -8.327 370 1HB SER 50 2HB SER 50 -13.817 18.589 -6.107 371 2HB SER 50 1HB SER 50 -12.792 18.690 -7.537 372 HG SER 50 HG SER 50 -14.560 20.791 -7.042 373 H GLY 51 H GLY 51 -15.770 18.597 -10.357 374 1HA GLY 51 2HA GLY 51 -14.398 17.856 -12.300 375 2HA GLY 51 1HA GLY 51 -13.685 16.641 -11.237 376 H GLY 52 H GLY 52 -15.587 15.278 -10.100 377 1HA GLY 52 2HA GLY 52 -17.242 13.651 -10.445 378 2HA GLY 52 1HA GLY 52 -18.014 14.821 -11.517 379 H ALA 53 H ALA 53 -15.822 12.091 -11.369 380 HA ALA 53 HA ALA 53 -16.430 11.314 -14.072 381 1HB ALA 53 1HB ALA 53 -14.774 12.255 -15.281 382 2HB ALA 53 2HB ALA 53 -13.558 11.773 -14.098 383 3HB ALA 53 3HB ALA 53 -14.445 13.283 -13.886 384 H GLY 54 H GLY 54 -13.878 11.144 -11.570 385 1HA GLY 54 2HA GLY 54 -13.649 9.024 -10.304 386 2HA GLY 54 1HA GLY 54 -14.049 8.167 -11.793 387 H ILE 55 H ILE 55 -12.442 9.332 -13.660 388 HA ILE 55 HA ILE 55 -9.853 8.212 -13.033 389 HB ILE 55 HB ILE 55 -10.535 10.073 -15.324 390 1HG1 ILE 55 2HG1 ILE 55 -12.141 8.124 -15.054 391 2HG1 ILE 55 1HG1 ILE 55 -11.248 8.141 -16.575 392 1HG2 ILE 55 1HG2 ILE 55 -8.807 8.214 -16.280 393 2HG2 ILE 55 2HG2 ILE 55 -8.284 8.281 -14.598 394 3HG2 ILE 55 3HG2 ILE 55 -8.285 9.747 -15.579 395 1HD1 ILE 55 1HD1 ILE 55 -11.281 6.106 -14.553 396 2HD1 ILE 55 2HD1 ILE 55 -9.645 6.752 -14.680 397 3HD1 ILE 55 3HD1 ILE 55 -10.446 6.094 -16.106 398 H ARG 56 H ARG 56 -11.257 11.124 -12.162 399 HA ARG 56 HA ARG 56 -8.915 12.837 -12.425 400 1HB ARG 56 2HB ARG 56 -11.649 13.187 -11.775 401 2HB ARG 56 1HB ARG 56 -10.732 13.721 -10.365 402 1HG ARG 56 2HG ARG 56 -9.876 15.520 -11.453 403 2HG ARG 56 1HG ARG 56 -9.595 14.604 -12.934 404 1HD ARG 56 2HD ARG 56 -12.379 15.395 -12.071 405 2HD ARG 56 1HD ARG 56 -11.368 16.472 -13.034 406 HE ARG 56 HE ARG 56 -12.042 13.714 -13.973 407 1HH1 ARG 56 1HH2 ARG 56 -13.706 16.339 -14.491 408 2HH1 ARG 56 2HH2 ARG 56 -13.223 16.659 -16.124 409 1HH2 ARG 56 2HH1 ARG 56 -10.550 14.451 -16.046 410 2HH2 ARG 56 1HH1 ARG 56 -11.437 15.590 -17.004 411 H THR 57 H THR 57 -10.111 10.561 -10.066 412 HA THR 57 HA THR 57 -8.594 11.540 -7.817 413 HB THR 57 HB THR 57 -10.541 9.893 -7.742 414 HG1 THR 57 HG1 THR 57 -9.593 8.776 -6.002 415 1HG2 THR 57 1HG2 THR 57 -10.320 7.756 -8.510 416 2HG2 THR 57 2HG2 THR 57 -8.615 7.665 -8.067 417 3HG2 THR 57 3HG2 THR 57 -9.098 8.482 -9.554 418 H ALA 58 H ALA 58 -7.603 10.159 -10.725 419 HA ALA 58 HA ALA 58 -5.456 8.470 -9.898 420 1HB ALA 58 1HB ALA 58 -4.464 9.309 -12.185 421 2HB ALA 58 2HB ALA 58 -6.045 10.068 -12.375 422 3HB ALA 58 3HB ALA 58 -5.923 8.319 -12.184 423 H GLN 59 H GLN 59 -5.354 11.910 -10.909 424 HA GLN 59 HA GLN 59 -2.695 12.492 -10.401 425 1HB GLN 59 2HB GLN 59 -4.350 14.154 -11.216 426 2HB GLN 59 1HB GLN 59 -5.052 14.229 -9.600 427 1HG GLN 59 2HG GLN 59 -2.107 14.691 -9.928 428 2HG GLN 59 1HG GLN 59 -3.228 15.992 -10.328 429 1HE2 GLN 59 1HE2 GLN 59 -5.184 15.850 -8.414 430 2HE2 GLN 59 2HE2 GLN 59 -4.527 15.997 -6.855 431 H ILE 60 H ILE 60 -5.220 11.823 -8.062 432 HA ILE 60 HA ILE 60 -3.687 12.726 -5.757 433 HB ILE 60 HB ILE 60 -6.034 10.808 -5.884 434 1HG1 ILE 60 2HG1 ILE 60 -6.033 13.790 -5.336 435 2HG1 ILE 60 1HG1 ILE 60 -6.428 13.085 -6.905 436 1HG2 ILE 60 1HG2 ILE 60 -5.592 12.551 -3.539 437 2HG2 ILE 60 2HG2 ILE 60 -4.373 11.297 -3.769 438 3HG2 ILE 60 3HG2 ILE 60 -6.073 10.855 -3.607 439 1HD1 ILE 60 1HD1 ILE 60 -8.446 13.562 -5.486 440 2HD1 ILE 60 2HD1 ILE 60 -7.851 12.377 -4.324 441 3HD1 ILE 60 3HD1 ILE 60 -8.298 11.869 -5.953 442 H ILE 61 H ILE 61 -4.428 9.547 -7.203 443 HA ILE 61 HA ILE 61 -3.019 7.935 -5.358 444 HB ILE 61 HB ILE 61 -3.423 7.597 -8.344 445 1HG1 ILE 61 2HG1 ILE 61 -4.838 6.476 -5.903 446 2HG1 ILE 61 1HG1 ILE 61 -5.499 7.639 -7.054 447 1HG2 ILE 61 1HG2 ILE 61 -1.891 6.030 -6.388 448 2HG2 ILE 61 2HG2 ILE 61 -1.863 5.966 -8.149 449 3HG2 ILE 61 3HG2 ILE 61 -3.099 5.082 -7.254 450 1HD1 ILE 61 1HD1 ILE 61 -4.504 5.342 -8.479 451 2HD1 ILE 61 2HD1 ILE 61 -6.148 5.979 -8.423 452 3HD1 ILE 61 3HD1 ILE 61 -5.613 4.814 -7.211 453 H ALA 62 H ALA 62 -1.848 10.066 -7.856 454 HA ALA 62 HA ALA 62 0.791 8.937 -8.106 455 1HB ALA 62 1HB ALA 62 1.292 11.408 -8.848 456 2HB ALA 62 2HB ALA 62 -0.462 11.587 -8.770 457 3HB ALA 62 3HB ALA 62 0.255 10.394 -9.853 458 H ASN 63 H ASN 63 -0.616 11.406 -5.979 459 HA ASN 63 HA ASN 63 1.919 12.137 -4.779 460 1HB ASN 63 2HB ASN 63 -0.972 12.647 -4.170 461 2HB ASN 63 1HB ASN 63 0.228 12.966 -2.916 462 1HD2 ASN 63 1HD2 ASN 63 -1.417 14.565 -5.263 463 2HD2 ASN 63 2HD2 ASN 63 -0.263 15.731 -5.702 464 H ASN 64 H ASN 64 0.117 9.326 -4.590 465 HA ASN 64 HA ASN 64 0.602 8.779 -1.744 466 1HB ASN 64 2HB ASN 64 -1.058 7.698 -3.796 467 2HB ASN 64 1HB ASN 64 -0.010 6.400 -3.223 468 1HD2 ASN 64 1HD2 ASN 64 -2.472 8.753 -2.178 469 2HD2 ASN 64 2HD2 ASN 64 -2.825 7.982 -0.709 470 H GLY 65 H GLY 65 2.338 8.484 -4.687 471 1HA GLY 65 2HA GLY 65 4.627 7.844 -4.881 472 2HA GLY 65 1HA GLY 65 4.544 7.153 -3.260 473 H VAL 66 H VAL 66 1.885 5.883 -4.414 474 HA VAL 66 HA VAL 66 2.915 3.263 -4.817 475 HB VAL 66 HB VAL 66 0.598 3.532 -4.228 476 1HG1 VAL 66 1HG1 VAL 66 0.704 5.731 -5.926 477 2HG1 VAL 66 2HG1 VAL 66 -0.742 5.115 -5.128 478 3HG1 VAL 66 3HG1 VAL 66 -0.360 4.608 -6.773 479 1HG2 VAL 66 1HG2 VAL 66 0.945 2.547 -7.076 480 2HG2 VAL 66 2HG2 VAL 66 -0.523 2.301 -6.129 481 3HG2 VAL 66 3HG2 VAL 66 0.998 1.580 -5.602 482 H LYS 67 H LYS 67 4.511 3.102 -6.369 483 HA LYS 67 HA LYS 67 4.158 4.278 -9.023 484 1HB LYS 67 2HB LYS 67 6.198 2.320 -7.919 485 2HB LYS 67 1HB LYS 67 6.261 3.011 -9.541 486 1HG LYS 67 2HG LYS 67 5.876 5.090 -7.555 487 2HG LYS 67 1HG LYS 67 7.318 4.140 -7.196 488 1HD LYS 67 2HD LYS 67 7.087 4.709 -10.044 489 2HD LYS 67 1HD LYS 67 7.127 6.188 -9.084 490 1HE LYS 67 2HE LYS 67 9.068 4.622 -7.882 491 2HE LYS 67 1HE LYS 67 9.259 4.241 -9.593 492 1HZ LYS 67 1HZ LYS 67 10.218 6.194 -9.905 493 2HZ LYS 67 2HZ LYS 67 10.090 6.533 -8.246 494 3HZ LYS 67 3HZ LYS 67 8.852 7.005 -9.311 495 H ALA 68 H ALA 68 2.921 1.586 -7.451 496 HA ALA 68 HA ALA 68 2.613 0.114 -10.045 497 1HB ALA 68 1HB ALA 68 3.754 -1.214 -8.318 498 2HB ALA 68 2HB ALA 68 2.159 -1.890 -8.653 499 3HB ALA 68 3HB ALA 68 2.421 -0.926 -7.200 500 H VAL 69 H VAL 69 0.605 0.315 -10.907 501 HA VAL 69 HA VAL 69 -1.642 1.001 -9.061 502 HB VAL 69 HB VAL 69 -1.296 1.450 -12.039 503 1HG1 VAL 69 1HG1 VAL 69 -3.602 2.384 -10.325 504 2HG1 VAL 69 2HG1 VAL 69 -3.658 0.857 -11.205 505 3HG1 VAL 69 3HG1 VAL 69 -3.484 2.376 -12.083 506 1HG2 VAL 69 1HG2 VAL 69 -0.932 3.685 -11.522 507 2HG2 VAL 69 2HG2 VAL 69 -0.190 2.916 -10.118 508 3HG2 VAL 69 3HG2 VAL 69 -1.818 3.583 -9.999 509 H ILE 70 H ILE 70 -2.798 -0.800 -8.545 510 HA ILE 70 HA ILE 70 -3.058 -2.962 -10.574 511 HB ILE 70 HB ILE 70 -4.154 -3.192 -7.795 512 1HG1 ILE 70 2HG1 ILE 70 -1.951 -2.194 -7.428 513 2HG1 ILE 70 1HG1 ILE 70 -1.892 -3.907 -7.012 514 1HG2 ILE 70 1HG2 ILE 70 -3.573 -5.509 -8.095 515 2HG2 ILE 70 2HG2 ILE 70 -2.595 -5.138 -9.514 516 3HG2 ILE 70 3HG2 ILE 70 -4.350 -4.975 -9.585 517 1HD1 ILE 70 1HD1 ILE 70 -1.041 -2.758 -9.685 518 2HD1 ILE 70 2HD1 ILE 70 -0.891 -4.439 -9.173 519 3HD1 ILE 70 3HD1 ILE 70 0.067 -3.187 -8.382 520 H ALA 71 H ALA 71 -4.710 -2.207 -11.930 521 HA ALA 71 HA ALA 71 -7.412 -2.282 -10.794 522 1HB ALA 71 1HB ALA 71 -7.624 -0.053 -10.531 523 2HB ALA 71 2HB ALA 71 -7.497 0.093 -12.284 524 3HB ALA 71 3HB ALA 71 -6.054 0.240 -11.280 525 H SER 72 H SER 72 -9.055 -1.926 -12.622 526 HA SER 72 HA SER 72 -7.913 -2.711 -15.265 527 1HB SER 72 2HB SER 72 -8.863 -4.685 -13.945 528 2HB SER 72 1HB SER 72 -10.438 -3.917 -14.110 529 HG SER 72 HG SER 72 -10.001 -3.912 -16.417 530 H SER 73 H SER 73 -8.553 -0.122 -14.768 531 HA SER 73 HA SER 73 -11.101 0.888 -14.968 532 1HB SER 73 2HB SER 73 -10.192 2.780 -16.128 533 2HB SER 73 1HB SER 73 -8.913 2.178 -15.077 534 HG SER 73 HG SER 73 -8.233 0.931 -16.981 535 HA PRO 74 HA PRO 74 -12.860 -0.721 -18.663 536 1HB PRO 74 2HB PRO 74 -14.831 1.167 -18.993 537 2HB PRO 74 1HB PRO 74 -14.903 -0.117 -17.773 538 1HG PRO 74 2HG PRO 74 -14.333 2.789 -17.409 539 2HG PRO 74 1HG PRO 74 -15.025 1.629 -16.263 540 1HD PRO 74 2HD PRO 74 -12.349 2.553 -16.275 541 2HD PRO 74 1HD PRO 74 -12.969 1.160 -15.362 542 H GLY 75 H GLY 75 -12.029 2.725 -18.513 543 1HA GLY 75 2HA GLY 75 -11.663 2.720 -21.478 544 2HA GLY 75 1HA GLY 75 -11.930 4.172 -20.510 545 HA PRO 76 HA PRO 76 -7.329 3.015 -20.846 546 1HB PRO 76 2HB PRO 76 -6.643 4.236 -23.211 547 2HB PRO 76 1HB PRO 76 -7.104 2.530 -23.086 548 1HG PRO 76 2HG PRO 76 -8.681 4.827 -24.154 549 2HG PRO 76 1HG PRO 76 -8.792 3.105 -24.558 550 1HD PRO 76 2HD PRO 76 -10.550 4.523 -22.852 551 2HD PRO 76 1HD PRO 76 -10.440 2.756 -23.002 552 H ASN 77 H ASN 77 -9.334 5.666 -20.702 553 HA ASN 77 HA ASN 77 -7.585 7.891 -20.990 554 1HB ASN 77 2HB ASN 77 -10.234 7.545 -20.288 555 2HB ASN 77 1HB ASN 77 -9.515 8.139 -18.791 556 1HD2 ASN 77 1HD2 ASN 77 -10.605 10.243 -19.081 557 2HD2 ASN 77 2HD2 ASN 77 -10.042 11.355 -20.233 558 H ALA 78 H ALA 78 -8.257 5.823 -18.166 559 HA ALA 78 HA ALA 78 -6.633 7.296 -16.323 560 1HB ALA 78 1HB ALA 78 -8.307 5.543 -15.680 561 2HB ALA 78 2HB ALA 78 -6.730 5.308 -14.924 562 3HB ALA 78 3HB ALA 78 -7.203 4.318 -16.304 563 H PHE 79 H PHE 79 -5.840 4.102 -17.739 564 HA PHE 79 HA PHE 79 -3.099 4.150 -17.123 565 1HB PHE 79 2HB PHE 79 -4.366 2.933 -19.596 566 2HB PHE 79 1HB PHE 79 -2.819 2.474 -18.882 567 HD1 PHE 79 HD1 PHE 79 -3.854 2.892 -15.952 568 HD2 PHE 79 HD2 PHE 79 -5.339 0.699 -19.336 569 HE1 PHE 79 HE1 PHE 79 -5.024 1.325 -14.424 570 HE2 PHE 79 HE2 PHE 79 -6.508 -0.868 -17.808 571 HZ PHE 79 HZ PHE 79 -6.350 -0.555 -15.352 572 H GLU 80 H GLU 80 -4.811 6.009 -19.478 573 HA GLU 80 HA GLU 80 -2.588 6.505 -21.260 574 1HB GLU 80 2HB GLU 80 -4.982 6.897 -21.870 575 2HB GLU 80 1HB GLU 80 -5.013 8.251 -20.739 576 1HG GLU 80 2HG GLU 80 -3.195 9.347 -21.999 577 2HG GLU 80 1HG GLU 80 -3.168 7.997 -23.133 578 H VAL 81 H VAL 81 -4.022 8.416 -18.591 579 HA VAL 81 HA VAL 81 -2.031 10.489 -18.712 580 HB VAL 81 HB VAL 81 -3.532 9.722 -16.209 581 1HG1 VAL 81 1HG1 VAL 81 -3.208 11.928 -15.591 582 2HG1 VAL 81 2HG1 VAL 81 -3.174 12.500 -17.259 583 3HG1 VAL 81 3HG1 VAL 81 -1.767 11.685 -16.577 584 1HG2 VAL 81 1HG2 VAL 81 -5.245 9.642 -17.872 585 2HG2 VAL 81 2HG2 VAL 81 -4.572 11.024 -18.736 586 3HG2 VAL 81 3HG2 VAL 81 -5.351 11.257 -17.171 587 H LEU 82 H LEU 82 -2.383 7.642 -16.573 588 HA LEU 82 HA LEU 82 -0.067 8.052 -15.010 589 1HB LEU 82 2HB LEU 82 -1.178 5.396 -15.969 590 2HB LEU 82 1HB LEU 82 -0.132 5.642 -14.570 591 HG LEU 82 HG LEU 82 -2.805 7.027 -14.854 592 1HD1 LEU 82 1HD1 LEU 82 -2.180 4.433 -13.409 593 2HD1 LEU 82 2HD1 LEU 82 -3.136 4.571 -14.884 594 3HD1 LEU 82 3HD1 LEU 82 -3.724 5.284 -13.382 595 1HD2 LEU 82 1HD2 LEU 82 -1.192 6.349 -12.383 596 2HD2 LEU 82 2HD2 LEU 82 -2.545 7.472 -12.513 597 3HD2 LEU 82 3HD2 LEU 82 -0.997 7.867 -13.259 598 H ASN 83 H ASN 83 -0.407 6.868 -18.295 599 HA ASN 83 HA ASN 83 2.237 5.748 -18.535 600 1HB ASN 83 2HB ASN 83 0.399 5.253 -20.130 601 2HB ASN 83 1HB ASN 83 0.454 6.925 -20.691 602 1HD2 ASN 83 1HD2 ASN 83 0.946 5.045 -22.636 603 2HD2 ASN 83 2HD2 ASN 83 2.599 4.985 -23.018 604 H GLU 84 H GLU 84 0.888 8.980 -19.110 605 HA GLU 84 HA GLU 84 3.355 10.069 -20.175 606 1HB GLU 84 2HB GLU 84 0.846 10.944 -20.297 607 2HB GLU 84 1HB GLU 84 1.319 11.805 -18.832 608 1HG GLU 84 2HG GLU 84 3.482 12.257 -20.459 609 2HG GLU 84 1HG GLU 84 2.156 12.249 -21.623 610 H LEU 85 H LEU 85 2.039 9.582 -16.974 611 HA LEU 85 HA LEU 85 3.773 11.468 -15.626 612 1HB LEU 85 2HB LEU 85 1.617 9.836 -14.897 613 2HB LEU 85 1HB LEU 85 2.987 9.193 -13.990 614 HG LEU 85 HG LEU 85 2.601 12.162 -14.088 615 1HD1 LEU 85 1HD1 LEU 85 0.694 12.167 -12.886 616 2HD1 LEU 85 2HD1 LEU 85 1.331 10.960 -11.769 617 3HD1 LEU 85 3HD1 LEU 85 0.537 10.450 -13.259 618 1HD2 LEU 85 1HD2 LEU 85 4.469 11.770 -12.826 619 2HD2 LEU 85 2HD2 LEU 85 3.988 10.115 -12.452 620 3HD2 LEU 85 3HD2 LEU 85 3.291 11.461 -11.549 621 H GLY 86 H GLY 86 3.997 8.026 -16.441 622 1HA GLY 86 2HA GLY 86 6.204 7.051 -16.897 623 2HA GLY 86 1HA GLY 86 6.885 8.156 -15.701 624 H ILE 87 H ILE 87 3.901 6.836 -14.736 625 HA ILE 87 HA ILE 87 5.251 5.244 -12.662 626 HB ILE 87 HB ILE 87 2.272 5.503 -13.130 627 1HG1 ILE 87 2HG1 ILE 87 3.555 7.248 -11.122 628 2HG1 ILE 87 1HG1 ILE 87 3.934 7.658 -12.795 629 1HG2 ILE 87 1HG2 ILE 87 4.068 4.657 -10.875 630 2HG2 ILE 87 2HG2 ILE 87 2.605 3.882 -11.485 631 3HG2 ILE 87 3HG2 ILE 87 2.487 5.350 -10.513 632 1HD1 ILE 87 1HD1 ILE 87 1.675 8.022 -13.349 633 2HD1 ILE 87 2HD1 ILE 87 1.807 8.708 -11.730 634 3HD1 ILE 87 3HD1 ILE 87 1.093 7.112 -11.956 635 H LYS 88 H LYS 88 4.281 2.993 -12.210 636 HA LYS 88 HA LYS 88 4.196 1.514 -14.790 637 1HB LYS 88 2HB LYS 88 4.786 0.686 -11.941 638 2HB LYS 88 1HB LYS 88 4.523 -0.494 -13.226 639 1HG LYS 88 2HG LYS 88 6.756 -0.279 -13.590 640 2HG LYS 88 1HG LYS 88 6.310 1.218 -14.410 641 1HD LYS 88 2HD LYS 88 7.518 2.360 -12.895 642 2HD LYS 88 1HD LYS 88 6.397 1.821 -11.645 643 1HE LYS 88 2HE LYS 88 7.935 0.424 -10.777 644 2HE LYS 88 1HE LYS 88 8.225 -0.311 -12.354 645 1HZ LYS 88 1HZ LYS 88 9.704 1.514 -12.899 646 2HZ LYS 88 2HZ LYS 88 10.219 0.740 -11.478 647 3HZ LYS 88 3HZ LYS 88 9.416 2.234 -11.391 648 H ILE 89 H ILE 89 2.246 0.789 -15.504 649 HA ILE 89 HA ILE 89 -0.042 0.834 -13.617 650 HB ILE 89 HB ILE 89 -0.318 0.143 -16.521 651 1HG1 ILE 89 2HG1 ILE 89 0.310 2.877 -15.370 652 2HG1 ILE 89 1HG1 ILE 89 1.180 2.025 -16.647 653 1HG2 ILE 89 1HG2 ILE 89 -2.116 2.132 -15.491 654 2HG2 ILE 89 2HG2 ILE 89 -2.015 0.804 -14.333 655 3HG2 ILE 89 3HG2 ILE 89 -2.482 0.485 -16.003 656 1HD1 ILE 89 1HD1 ILE 89 -1.433 2.099 -17.589 657 2HD1 ILE 89 2HD1 ILE 89 -0.122 3.162 -18.103 658 3HD1 ILE 89 3HD1 ILE 89 -1.227 3.676 -16.828 659 H TYR 90 H TYR 90 -1.573 -1.024 -13.669 660 HA TYR 90 HA TYR 90 -0.425 -3.603 -14.559 661 1HB TYR 90 2HB TYR 90 -0.342 -2.684 -11.825 662 2HB TYR 90 1HB TYR 90 -1.404 -4.086 -11.946 663 HD1 TYR 90 HD1 TYR 90 1.895 -3.144 -11.401 664 HD2 TYR 90 HD2 TYR 90 -0.421 -5.957 -13.680 665 HE1 TYR 90 HE1 TYR 90 3.875 -4.628 -11.579 666 HE2 TYR 90 HE2 TYR 90 1.559 -7.442 -13.858 667 HH TYR 90 HH TYR 90 3.877 -7.448 -13.650 668 H ARG 91 H ARG 91 -2.044 -4.953 -15.253 669 HA ARG 91 HA ARG 91 -4.822 -3.981 -15.004 670 1HB ARG 91 2HB ARG 91 -3.475 -6.131 -16.641 671 2HB ARG 91 1HB ARG 91 -5.232 -6.023 -16.535 672 1HG ARG 91 2HG ARG 91 -4.012 -3.424 -17.054 673 2HG ARG 91 1HG ARG 91 -3.611 -4.604 -18.302 674 1HD ARG 91 2HD ARG 91 -6.356 -4.970 -17.699 675 2HD ARG 91 1HD ARG 91 -6.105 -3.233 -17.869 676 HE ARG 91 HE ARG 91 -6.032 -5.156 -20.020 677 1HH1 ARG 91 2HH1 ARG 91 -5.035 -2.080 -18.861 678 2HH1 ARG 91 1HH1 ARG 91 -4.354 -1.577 -20.371 679 1HH2 ARG 91 1HH2 ARG 91 -4.954 -4.601 -21.956 680 2HH2 ARG 91 2HH2 ARG 91 -4.306 -3.003 -22.122 681 H ALA 92 H ALA 92 -6.145 -4.749 -13.429 682 HA ALA 92 HA ALA 92 -5.287 -6.986 -11.749 683 1HB ALA 92 1HB ALA 92 -7.832 -5.334 -11.746 684 2HB ALA 92 2HB ALA 92 -6.417 -5.072 -10.725 685 3HB ALA 92 3HB ALA 92 -7.401 -6.521 -10.516 686 H THR 93 H THR 93 -5.337 -8.760 -13.255 687 HA THR 93 HA THR 93 -8.095 -9.776 -13.727 688 HB THR 93 HB THR 93 -5.908 -9.957 -15.816 689 HG1 THR 93 HG1 THR 93 -7.647 -8.428 -16.787 690 1HG2 THR 93 1HG2 THR 93 -7.567 -11.705 -16.003 691 2HG2 THR 93 2HG2 THR 93 -7.894 -10.512 -17.261 692 3HG2 THR 93 3HG2 THR 93 -8.879 -10.544 -15.799 693 H GLY 94 H GLY 94 -5.674 -10.339 -11.915 694 1HA GLY 94 2HA GLY 94 -4.705 -12.956 -12.728 695 2HA GLY 94 1HA GLY 94 -4.480 -12.221 -11.141 696 H THR 95 H THR 95 -6.388 -12.271 -9.665 697 HA THR 95 HA THR 95 -8.556 -14.134 -10.293 698 HB THR 95 HB THR 95 -6.471 -14.866 -8.213 699 HG1 THR 95 HG1 THR 95 -5.858 -16.353 -9.609 700 1HG2 THR 95 1HG2 THR 95 -8.846 -16.534 -9.004 701 2HG2 THR 95 2HG2 THR 95 -8.999 -15.301 -7.752 702 3HG2 THR 95 3HG2 THR 95 -7.861 -16.633 -7.545 703 H SER 96 H SER 96 -6.930 -13.185 -7.251 704 HA SER 96 HA SER 96 -9.360 -11.585 -6.575 705 1HB SER 96 2HB SER 96 -7.884 -13.439 -4.681 706 2HB SER 96 1HB SER 96 -9.285 -12.449 -4.284 707 HG SER 96 HG SER 96 -10.537 -13.702 -5.569 708 H VAL 97 H VAL 97 -8.933 -9.753 -5.246 709 HA VAL 97 HA VAL 97 -6.607 -8.304 -5.644 710 HB VAL 97 HB VAL 97 -8.686 -7.445 -4.534 711 1HG1 VAL 97 1HG1 VAL 97 -7.507 -8.678 -2.031 712 2HG1 VAL 97 2HG1 VAL 97 -8.837 -9.402 -2.934 713 3HG1 VAL 97 3HG1 VAL 97 -9.041 -7.820 -2.180 714 1HG2 VAL 97 1HG2 VAL 97 -6.501 -6.792 -2.623 715 2HG2 VAL 97 2HG2 VAL 97 -7.527 -5.713 -3.568 716 3HG2 VAL 97 3HG2 VAL 97 -6.158 -6.521 -4.332 717 H GLU 98 H GLU 98 -7.103 -10.938 -3.390 718 HA GLU 98 HA GLU 98 -4.801 -10.456 -1.739 719 1HB GLU 98 2HB GLU 98 -6.522 -11.979 -0.977 720 2HB GLU 98 1HB GLU 98 -6.301 -13.008 -2.392 721 1HG GLU 98 2HG GLU 98 -4.305 -13.887 -1.615 722 2HG GLU 98 1HG GLU 98 -3.922 -12.452 -0.663 723 H GLU 99 H GLU 99 -5.264 -12.693 -4.505 724 HA GLU 99 HA GLU 99 -2.462 -13.408 -4.605 725 1HB GLU 99 2HB GLU 99 -4.749 -14.436 -5.715 726 2HB GLU 99 1HB GLU 99 -4.010 -13.647 -7.108 727 1HG GLU 99 2HG GLU 99 -1.841 -14.819 -6.467 728 2HG GLU 99 1HG GLU 99 -2.796 -15.773 -5.331 729 H ASN 100 H ASN 100 -4.240 -10.679 -5.678 730 HA ASN 100 HA ASN 100 -2.497 -9.965 -7.896 731 1HB ASN 100 2HB ASN 100 -4.776 -8.722 -6.446 732 2HB ASN 100 1HB ASN 100 -3.651 -7.613 -7.230 733 1HD2 ASN 100 1HD2 ASN 100 -3.903 -7.330 -9.465 734 2HD2 ASN 100 2HD2 ASN 100 -4.860 -8.320 -10.458 735 H LEU 101 H LEU 101 -2.744 -9.052 -4.469 736 HA LEU 101 HA LEU 101 -0.737 -7.031 -4.488 737 1HB LEU 101 2HB LEU 101 -2.144 -7.265 -2.548 738 2HB LEU 101 1HB LEU 101 -1.641 -8.940 -2.317 739 HG LEU 101 HG LEU 101 0.719 -8.091 -1.997 740 1HD1 LEU 101 1HD1 LEU 101 -0.391 -5.397 -1.381 741 2HD1 LEU 101 2HD1 LEU 101 -0.162 -5.790 -3.085 742 3HD1 LEU 101 3HD1 LEU 101 1.208 -5.845 -1.975 743 1HD2 LEU 101 1HD2 LEU 101 -1.126 -6.805 0.009 744 2HD2 LEU 101 2HD2 LEU 101 0.379 -7.682 0.294 745 3HD2 LEU 101 3HD2 LEU 101 -1.081 -8.560 -0.163 746 H LYS 102 H LYS 102 -0.480 -10.537 -3.829 747 HA LYS 102 HA LYS 102 2.424 -10.412 -3.597 748 1HB LYS 102 2HB LYS 102 2.252 -12.909 -3.597 749 2HB LYS 102 1HB LYS 102 1.199 -12.151 -2.401 750 1HG LYS 102 2HG LYS 102 -0.714 -12.752 -3.504 751 2HG LYS 102 1HG LYS 102 0.021 -12.561 -5.096 752 1HD LYS 102 2HD LYS 102 -0.266 -14.890 -4.921 753 2HD LYS 102 1HD LYS 102 1.418 -14.659 -4.452 754 1HE LYS 102 2HE LYS 102 -0.516 -14.427 -2.234 755 2HE LYS 102 1HE LYS 102 -0.414 -16.033 -2.955 756 1HZ LYS 102 1HZ LYS 102 1.877 -16.146 -2.527 757 2HZ LYS 102 2HZ LYS 102 1.188 -15.541 -1.096 758 3HZ LYS 102 3HZ LYS 102 1.987 -14.492 -2.166 759 H LEU 103 H LEU 103 0.153 -10.708 -6.186 760 HA LEU 103 HA LEU 103 1.827 -12.095 -8.071 761 1HB LEU 103 2HB LEU 103 -0.671 -10.491 -8.170 762 2HB LEU 103 1HB LEU 103 0.253 -10.580 -9.670 763 HG LEU 103 HG LEU 103 -0.403 -13.043 -8.050 764 1HD1 LEU 103 1HD1 LEU 103 -2.333 -11.441 -9.166 765 2HD1 LEU 103 2HD1 LEU 103 -2.488 -13.184 -8.948 766 3HD1 LEU 103 3HD1 LEU 103 -1.961 -12.533 -10.501 767 1HD2 LEU 103 1HD2 LEU 103 -0.258 -13.711 -10.710 768 2HD2 LEU 103 2HD2 LEU 103 1.093 -13.820 -9.582 769 3HD2 LEU 103 3HD2 LEU 103 0.916 -12.399 -10.611 770 H PHE 104 H PHE 104 1.301 -8.628 -7.406 771 HA PHE 104 HA PHE 104 2.969 -7.635 -9.493 772 1HB PHE 104 2HB PHE 104 1.517 -6.105 -8.337 773 2HB PHE 104 1HB PHE 104 2.244 -6.499 -6.780 774 HD1 PHE 104 HD1 PHE 104 4.732 -5.967 -6.436 775 HD2 PHE 104 HD2 PHE 104 2.409 -4.381 -9.686 776 HE1 PHE 104 HE1 PHE 104 6.419 -4.179 -6.767 777 HE2 PHE 104 HE2 PHE 104 4.097 -2.591 -10.017 778 HZ PHE 104 HZ PHE 104 6.102 -2.491 -8.559 779 H THR 105 H THR 105 3.712 -8.961 -6.332 780 HA THR 105 HA THR 105 6.379 -7.977 -6.077 781 HB THR 105 HB THR 105 5.223 -10.608 -5.106 782 HG1 THR 105 HG1 THR 105 4.295 -8.435 -4.495 783 1HG2 THR 105 1HG2 THR 105 7.654 -9.020 -4.238 784 2HG2 THR 105 2HG2 THR 105 7.666 -10.592 -5.039 785 3HG2 THR 105 3HG2 THR 105 7.027 -10.443 -3.403 786 H GLU 106 H GLU 106 5.074 -10.869 -7.684 787 HA GLU 106 HA GLU 106 7.775 -11.676 -8.550 788 1HB GLU 106 2HB GLU 106 5.139 -12.877 -9.422 789 2HB GLU 106 1HB GLU 106 6.730 -13.639 -9.421 790 1HG GLU 106 2HG GLU 106 5.373 -12.674 -6.895 791 2HG GLU 106 1HG GLU 106 5.203 -14.320 -7.504 792 H GLY 107 H GLY 107 5.730 -9.326 -9.548 793 1HA GLY 107 2HA GLY 107 5.287 -8.293 -11.624 794 2HA GLY 107 1HA GLY 107 6.981 -8.681 -11.931 795 H ASN 108 H ASN 108 4.320 -10.987 -11.490 796 HA ASN 108 HA ASN 108 4.957 -12.062 -14.197 797 1HB ASN 108 2HB ASN 108 3.946 -13.244 -11.651 798 2HB ASN 108 1HB ASN 108 3.367 -13.957 -13.157 799 1HD2 ASN 108 1HD2 ASN 108 4.974 -14.949 -14.597 800 2HD2 ASN 108 2HD2 ASN 108 6.525 -15.345 -14.035 801 H LEU 109 H LEU 109 2.638 -10.209 -12.557 802 HA LEU 109 HA LEU 109 0.285 -11.115 -13.997 803 1HB LEU 109 2HB LEU 109 0.855 -9.290 -11.893 804 2HB LEU 109 1HB LEU 109 0.051 -8.375 -13.168 805 HG LEU 109 HG LEU 109 -0.957 -10.950 -11.922 806 1HD1 LEU 109 1HD1 LEU 109 -2.520 -8.428 -11.860 807 2HD1 LEU 109 2HD1 LEU 109 -1.083 -8.469 -10.838 808 3HD1 LEU 109 3HD1 LEU 109 -2.350 -9.677 -10.627 809 1HD2 LEU 109 1HD2 LEU 109 -1.407 -10.450 -14.440 810 2HD2 LEU 109 2HD2 LEU 109 -2.460 -9.171 -13.838 811 3HD2 LEU 109 3HD2 LEU 109 -2.783 -10.851 -13.412 812 H GLU 110 H GLU 110 -0.764 -8.651 -14.936 813 HA GLU 110 HA GLU 110 0.840 -8.368 -17.415 814 1HB GLU 110 2HB GLU 110 -1.790 -6.990 -17.025 815 2HB GLU 110 1HB GLU 110 -1.117 -7.730 -18.479 816 1HG GLU 110 2HG GLU 110 -1.392 -9.974 -17.373 817 2HG GLU 110 1HG GLU 110 -2.255 -9.160 -16.068 818 H GLU 111 H GLU 111 2.311 -6.755 -17.391 819 HA GLU 111 HA GLU 111 1.733 -4.323 -15.769 820 1HB GLU 111 2HB GLU 111 3.881 -5.502 -15.338 821 2HB GLU 111 1HB GLU 111 4.344 -5.233 -17.019 822 1HG GLU 111 2HG GLU 111 3.450 -2.801 -15.619 823 2HG GLU 111 1HG GLU 111 4.918 -3.516 -14.953 824 H ILE 112 H ILE 112 1.694 -2.287 -16.746 825 HA ILE 112 HA ILE 112 2.032 -2.229 -19.714 826 HB ILE 112 HB ILE 112 -0.112 -0.725 -18.191 827 1HG1 ILE 112 2HG1 ILE 112 -0.348 -3.264 -18.145 828 2HG1 ILE 112 1HG1 ILE 112 -1.687 -2.394 -18.894 829 1HG2 ILE 112 1HG2 ILE 112 0.651 -1.078 -21.077 830 2HG2 ILE 112 2HG2 ILE 112 0.233 0.401 -20.212 831 3HG2 ILE 112 3HG2 ILE 112 -1.028 -0.752 -20.649 832 1HD1 ILE 112 1HD1 ILE 112 -0.967 -4.354 -20.249 833 2HD1 ILE 112 2HD1 ILE 112 0.631 -3.628 -20.410 834 3HD1 ILE 112 3HD1 ILE 112 -0.774 -2.833 -21.120 835 H ARG 113 H ARG 113 3.655 -0.822 -20.160 836 HA ARG 113 HA ARG 113 3.677 1.897 -19.334 837 1HB ARG 113 2HB ARG 113 4.189 0.837 -17.108 838 2HB ARG 113 1HB ARG 113 5.669 0.191 -17.815 839 1HG ARG 113 2HG ARG 113 5.668 2.909 -18.509 840 2HG ARG 113 1HG ARG 113 5.134 2.866 -16.828 841 1HD ARG 113 2HD ARG 113 7.098 1.272 -16.406 842 2HD ARG 113 1HD ARG 113 7.689 1.752 -17.997 843 HE ARG 113 HE ARG 113 7.513 3.510 -15.614 844 1HH1 ARG 113 1HH2 ARG 113 7.215 3.888 -18.915 845 2HH1 ARG 113 2HH2 ARG 113 8.571 4.948 -19.105 846 1HH2 ARG 113 2HH1 ARG 113 9.708 4.505 -15.858 847 2HH2 ARG 113 1HH1 ARG 113 9.985 5.296 -17.374 848 H SER 114 H SER 114 4.085 1.478 -21.750 849 HA SER 114 HA SER 114 7.035 1.419 -22.194 850 1HB SER 114 2HB SER 114 5.631 0.368 -24.484 851 2HB SER 114 1HB SER 114 6.903 -0.388 -23.529 852 HG SER 114 HG SER 114 4.128 -0.592 -23.333 853 HA PRO 115 HA PRO 115 5.263 5.160 -24.110 854 1HB PRO 115 2HB PRO 115 7.344 6.777 -23.329 855 2HB PRO 115 1HB PRO 115 5.930 6.444 -22.316 856 1HG PRO 115 2HG PRO 115 8.707 5.389 -22.067 857 2HG PRO 115 1HG PRO 115 7.469 5.597 -20.816 858 1HD PRO 115 2HD PRO 115 8.173 3.155 -22.072 859 2HD PRO 115 1HD PRO 115 6.745 3.436 -21.055 860 H GLY 116 H GLY 116 8.716 4.202 -24.096 861 1HA GLY 116 2HA GLY 116 9.446 5.522 -26.510 862 2HA GLY 116 1HA GLY 116 10.281 4.120 -25.842 863 H SER 117 H SER 117 10.453 2.659 -27.479 864 HA SER 117 HA SER 117 9.838 1.281 -29.277 865 1HB SER 117 2HB SER 117 7.762 0.118 -29.012 866 2HB SER 117 1HB SER 117 8.344 0.458 -27.384 867 HG SER 117 HG SER 117 6.218 1.077 -27.467 868 H GLY 118 H GLY 118 10.156 3.051 -30.815 869 1HA GLY 118 2HA GLY 118 9.372 4.115 -32.772 870 2HA GLY 118 1HA GLY 118 7.740 3.588 -32.358 871 H ARG 119 H ARG 119 10.087 5.629 -30.585 872 HA ARG 119 HA ARG 119 7.974 7.751 -30.532 873 1HB ARG 119 2HB ARG 119 8.576 6.544 -28.323 874 2HB ARG 119 1HB ARG 119 10.105 7.421 -28.419 875 1HG ARG 119 2HG ARG 119 9.101 9.488 -28.113 876 2HG ARG 119 1HG ARG 119 7.559 8.955 -28.779 877 1HD ARG 119 2HD ARG 119 7.166 7.574 -26.769 878 2HD ARG 119 1HD ARG 119 8.703 8.118 -26.098 879 HE ARG 119 HE ARG 119 6.316 9.535 -25.784 880 1HH1 ARG 119 2HH1 ARG 119 7.057 11.230 -28.045 881 2HH1 ARG 119 1HH1 ARG 119 8.101 12.416 -27.336 882 1HH2 ARG 119 1HH2 ARG 119 8.697 10.566 -24.466 883 2HH2 ARG 119 2HH2 ARG 119 9.029 12.040 -25.312 884 H GLY 120 H GLY 120 9.293 8.204 -32.655 885 1HA GLY 120 2HA GLY 120 10.550 10.591 -32.668 886 2HA GLY 120 1HA GLY 120 11.873 9.547 -32.148 887 H ARG 121 H ARG 121 12.205 7.558 -33.612 888 HA ARG 121 HA ARG 121 11.255 7.586 -36.319 889 1HB ARG 121 2HB ARG 121 13.199 9.549 -35.788 890 2HB ARG 121 1HB ARG 121 14.065 8.246 -36.604 891 1HG ARG 121 2HG ARG 121 11.548 9.617 -37.595 892 2HG ARG 121 1HG ARG 121 13.168 9.797 -38.268 893 1HD ARG 121 2HD ARG 121 12.712 8.055 -39.621 894 2HD ARG 121 1HD ARG 121 12.719 7.026 -38.187 895 HE ARG 121 HE ARG 121 10.308 7.157 -38.128 896 1HH1 ARG 121 1HH2 ARG 121 11.308 7.091 -41.164 897 2HH1 ARG 121 2HH2 ARG 121 10.073 8.084 -41.863 898 1HH2 ARG 121 2HH1 ARG 121 8.906 9.241 -38.809 899 2HH2 ARG 121 1HH1 ARG 121 8.712 9.301 -40.529 900 H ARG 122 H ARG 122 11.159 5.332 -36.022 901 HA ARG 122 HA ARG 122 13.519 3.843 -35.137 902 1HB ARG 122 2HB ARG 122 10.744 3.325 -35.346 903 2HB ARG 122 1HB ARG 122 11.539 2.193 -36.441 904 1HG ARG 122 2HG ARG 122 12.853 2.534 -33.809 905 2HG ARG 122 1HG ARG 122 11.269 1.760 -33.766 906 1HD ARG 122 2HD ARG 122 12.962 0.769 -35.942 907 2HD ARG 122 1HD ARG 122 13.656 0.485 -34.346 908 HE ARG 122 HE ARG 122 10.863 -0.250 -34.400 909 1HH1 ARG 122 2HH1 ARG 122 13.555 -1.598 -33.394 910 2HH1 ARG 122 1HH1 ARG 122 13.424 -3.111 -34.227 911 1HH2 ARG 122 1HH2 ARG 122 10.889 -2.033 -36.333 912 2HH2 ARG 122 2HH2 ARG 122 11.913 -3.358 -35.890 913 H ARG 123 H ARG 123 15.041 4.543 -36.798 914 HA ARG 123 HA ARG 123 14.688 4.354 -39.579 915 1HB ARG 123 2HB ARG 123 16.870 4.703 -37.792 916 2HB ARG 123 1HB ARG 123 17.322 3.415 -38.908 917 1HG ARG 123 2HG ARG 123 16.170 5.195 -40.625 918 2HG ARG 123 1HG ARG 123 16.872 6.290 -39.433 919 1HD ARG 123 2HD ARG 123 18.896 4.456 -39.799 920 2HD ARG 123 1HD ARG 123 18.208 4.582 -41.418 921 HE ARG 123 HE ARG 123 18.668 7.009 -41.337 922 1HH1 ARG 123 2HH1 ARG 123 21.204 5.302 -40.639 923 2HH1 ARG 123 1HH1 ARG 123 21.898 6.305 -39.410 924 1HH2 ARG 123 1HH2 ARG 123 19.029 8.204 -38.971 925 2HH2 ARG 123 2HH2 ARG 123 20.666 7.949 -38.465 926 H ARG 124 HN ARG 124 14.387 2.647 -40.935 927 HA ARG 124 HA ARG 124 15.612 0.098 -40.679 928 1HB ARG 124 2HB ARG 124 14.115 -0.052 -38.675 929 2HB ARG 124 1HB ARG 124 12.725 0.128 -39.747 930 1HG ARG 124 2HG ARG 124 13.082 -2.241 -39.335 931 2HG ARG 124 1HG ARG 124 13.509 -1.890 -41.010 932 1HD ARG 124 2HD ARG 124 15.503 -2.858 -40.578 933 2HD ARG 124 1HD ARG 124 15.875 -1.436 -39.603 934 HE ARG 124 HE ARG 124 14.382 -3.582 -38.234 935 1HH1 ARG 124 1HH2 ARG 124 17.362 -4.021 -39.261 936 2HH1 ARG 124 2HH2 ARG 124 18.195 -3.793 -37.759 937 1HH2 ARG 124 1HH1 ARG 124 15.450 -2.424 -36.141 938 2HH2 ARG 124 2HH1 ARG 124 17.111 -2.888 -35.992 Start of MODEL 6 1 1H MET 1 1H MET 1 8.652 3.783 -4.541 2 2H MET 1 2H MET 1 9.776 2.515 -4.670 3 3H MET 1 3H MET 1 8.608 2.497 -3.436 4 HA MET 1 HA MET 1 7.458 2.701 -6.059 5 1HB MET 1 2HB MET 1 9.277 0.410 -5.321 6 2HB MET 1 1HB MET 1 7.905 0.169 -6.403 7 1HG MET 1 2HG MET 1 9.186 0.925 -8.092 8 2HG MET 1 1HG MET 1 9.187 2.507 -7.314 9 1HE MET 1 1HE MET 1 10.495 -0.989 -7.116 10 2HE MET 1 2HE MET 1 10.834 -0.624 -5.427 11 3HE MET 1 3HE MET 1 12.167 -0.885 -6.548 12 H LYS 2 H LYS 2 5.615 3.073 -4.709 13 HA LYS 2 HA LYS 2 4.864 0.939 -2.799 14 1HB LYS 2 2HB LYS 2 4.018 3.739 -3.326 15 2HB LYS 2 1HB LYS 2 2.758 2.641 -2.759 16 1HG LYS 2 2HG LYS 2 3.831 2.238 -0.729 17 2HG LYS 2 1HG LYS 2 5.419 2.664 -1.369 18 1HD LYS 2 2HD LYS 2 3.663 4.933 -1.595 19 2HD LYS 2 1HD LYS 2 3.635 4.336 0.064 20 1HE LYS 2 2HE LYS 2 5.662 5.228 0.439 21 2HE LYS 2 1HE LYS 2 6.340 4.269 -0.876 22 1HZ LYS 2 1HZ LYS 2 6.721 6.424 -1.559 23 2HZ LYS 2 2HZ LYS 2 5.244 7.002 -0.949 24 3HZ LYS 2 3HZ LYS 2 5.272 6.057 -2.361 25 H ILE 3 H ILE 3 2.782 -0.153 -2.998 26 HA ILE 3 HA ILE 3 1.819 -0.251 -5.828 27 HB ILE 3 HB ILE 3 1.911 -2.512 -3.810 28 1HG1 ILE 3 2HG1 ILE 3 3.434 -2.629 -6.353 29 2HG1 ILE 3 1HG1 ILE 3 4.042 -1.483 -5.157 30 1HG2 ILE 3 1HG2 ILE 3 0.302 -3.365 -5.154 31 2HG2 ILE 3 2HG2 ILE 3 1.573 -3.545 -6.362 32 3HG2 ILE 3 3HG2 ILE 3 0.545 -2.113 -6.371 33 1HD1 ILE 3 1HD1 ILE 3 4.284 -3.198 -3.504 34 2HD1 ILE 3 2HD1 ILE 3 4.985 -3.844 -4.987 35 3HD1 ILE 3 3HD1 ILE 3 3.377 -4.355 -4.477 36 H ALA 4 H ALA 4 -0.206 0.556 -5.972 37 HA ALA 4 HA ALA 4 -2.031 0.215 -3.625 38 1HB ALA 4 1HB ALA 4 -3.294 2.128 -4.940 39 2HB ALA 4 2HB ALA 4 -1.710 2.395 -5.668 40 3HB ALA 4 3HB ALA 4 -1.912 2.528 -3.921 41 H ILE 5 H ILE 5 -3.506 -1.376 -3.996 42 HA ILE 5 HA ILE 5 -4.223 -1.987 -6.824 43 HB ILE 5 HB ILE 5 -4.995 -3.680 -4.458 44 1HG1 ILE 5 2HG1 ILE 5 -2.613 -4.699 -5.624 45 2HG1 ILE 5 1HG1 ILE 5 -2.308 -3.003 -5.249 46 1HG2 ILE 5 1HG2 ILE 5 -5.439 -3.856 -7.184 47 2HG2 ILE 5 2HG2 ILE 5 -5.526 -5.205 -6.050 48 3HG2 ILE 5 3HG2 ILE 5 -4.039 -4.903 -6.950 49 1HD1 ILE 5 1HD1 ILE 5 -3.086 -5.234 -3.384 50 2HD1 ILE 5 2HD1 ILE 5 -3.429 -3.557 -2.958 51 3HD1 ILE 5 3HD1 ILE 5 -1.765 -4.075 -3.233 52 H ALA 6 H ALA 6 -6.291 -1.685 -7.555 53 HA ALA 6 HA ALA 6 -8.136 -0.146 -5.919 54 1HB ALA 6 1HB ALA 6 -8.240 -1.349 -8.681 55 2HB ALA 6 2HB ALA 6 -8.272 0.351 -8.216 56 3HB ALA 6 3HB ALA 6 -9.690 -0.662 -7.948 57 H SER 7 H SER 7 -10.055 -0.869 -4.945 58 HA SER 7 HA SER 7 -10.842 -3.696 -5.258 59 1HB SER 7 2HB SER 7 -10.627 -2.927 -2.426 60 2HB SER 7 1HB SER 7 -10.201 -4.444 -3.212 61 HG SER 7 HG SER 7 -8.710 -2.023 -3.265 62 H SER 8 H SER 8 -12.957 -4.117 -4.278 63 HA SER 8 HA SER 8 -14.499 -1.599 -3.787 64 1HB SER 8 2HB SER 8 -16.391 -2.592 -4.890 65 2HB SER 8 1HB SER 8 -15.006 -2.822 -5.954 66 HG SER 8 HG SER 8 -14.795 -4.928 -5.013 67 H GLY 9 H GLY 9 -13.272 -4.254 -2.283 68 1HA GLY 9 2HA GLY 9 -15.541 -4.313 -0.334 69 2HA GLY 9 1HA GLY 9 -14.637 -5.770 -0.749 70 H THR 10 H THR 10 -13.995 -6.004 1.489 71 HA THR 10 HA THR 10 -11.840 -4.079 2.267 72 HB THR 10 HB THR 10 -12.765 -5.244 4.635 73 HG1 THR 10 HG1 THR 10 -15.053 -4.514 4.369 74 1HG2 THR 10 1HG2 THR 10 -12.058 -2.986 4.597 75 2HG2 THR 10 2HG2 THR 10 -13.788 -2.897 4.927 76 3HG2 THR 10 3HG2 THR 10 -13.181 -2.569 3.303 77 H ASP 11 H ASP 11 -12.971 -7.411 2.165 78 HA ASP 11 HA ASP 11 -10.413 -8.547 1.894 79 1HB ASP 11 2HB ASP 11 -10.789 -7.629 4.519 80 2HB ASP 11 1HB ASP 11 -11.050 -9.371 4.605 81 H LEU 12 H LEU 12 -13.542 -9.042 3.529 82 HA LEU 12 HA LEU 12 -13.545 -11.898 2.892 83 1HB LEU 12 2HB LEU 12 -15.701 -11.947 3.964 84 2HB LEU 12 1HB LEU 12 -14.675 -10.877 4.919 85 HG LEU 12 HG LEU 12 -15.900 -9.315 2.865 86 1HD1 LEU 12 1HD1 LEU 12 -17.989 -10.123 2.659 87 2HD1 LEU 12 2HD1 LEU 12 -18.201 -10.061 4.409 88 3HD1 LEU 12 3HD1 LEU 12 -17.535 -11.508 3.652 89 1HD2 LEU 12 1HD2 LEU 12 -16.550 -9.415 5.825 90 2HD2 LEU 12 2HD2 LEU 12 -16.688 -8.026 4.747 91 3HD2 LEU 12 3HD2 LEU 12 -15.098 -8.653 5.178 92 H GLY 13 H GLY 13 -13.836 -9.314 0.938 93 1HA GLY 13 2HA GLY 13 -15.225 -10.825 -1.116 94 2HA GLY 13 1HA GLY 13 -16.199 -9.483 -0.513 95 H SER 14 H SER 14 -12.683 -9.364 -0.696 96 HA SER 14 HA SER 14 -12.831 -6.936 -2.306 97 1HB SER 14 2HB SER 14 -10.591 -8.583 -1.150 98 2HB SER 14 1HB SER 14 -10.250 -7.313 -2.321 99 HG SER 14 HG SER 14 -11.484 -7.113 0.219 100 H GLU 15 H GLU 15 -13.948 -7.940 -4.180 101 HA GLU 15 HA GLU 15 -12.542 -9.949 -5.753 102 1HB GLU 15 2HB GLU 15 -14.858 -8.131 -6.486 103 2HB GLU 15 1HB GLU 15 -14.305 -9.512 -7.434 104 1HG GLU 15 2HG GLU 15 -14.826 -10.112 -4.590 105 2HG GLU 15 1HG GLU 15 -16.254 -9.647 -5.515 106 H VAL 16 H VAL 16 -11.821 -6.792 -5.185 107 HA VAL 16 HA VAL 16 -10.276 -5.378 -6.266 108 HB VAL 16 HB VAL 16 -10.208 -7.203 -8.650 109 1HG1 VAL 16 1HG1 VAL 16 -8.588 -5.095 -7.430 110 2HG1 VAL 16 2HG1 VAL 16 -8.557 -5.718 -9.079 111 3HG1 VAL 16 3HG1 VAL 16 -7.643 -6.535 -7.811 112 1HG2 VAL 16 1HG2 VAL 16 -9.412 -7.849 -5.847 113 2HG2 VAL 16 2HG2 VAL 16 -8.290 -8.311 -7.128 114 3HG2 VAL 16 3HG2 VAL 16 -9.944 -8.926 -7.141 115 H SER 17 H SER 17 -13.311 -5.681 -6.850 116 HA SER 17 HA SER 17 -14.879 -4.545 -8.176 117 1HB SER 17 2HB SER 17 -13.261 -2.651 -7.549 118 2HB SER 17 1HB SER 17 -12.554 -2.873 -9.146 119 HG SER 17 HG SER 17 -15.017 -1.841 -8.391 120 H ARG 18 H ARG 18 -15.197 -3.820 -10.617 121 HA ARG 18 HA ARG 18 -13.928 -5.954 -12.280 122 1HB ARG 18 2HB ARG 18 -16.603 -4.550 -12.478 123 2HB ARG 18 1HB ARG 18 -15.950 -5.541 -13.784 124 1HG ARG 18 2HG ARG 18 -16.005 -6.697 -11.025 125 2HG ARG 18 1HG ARG 18 -17.519 -6.610 -11.925 126 1HD ARG 18 2HD ARG 18 -16.764 -8.051 -13.597 127 2HD ARG 18 1HD ARG 18 -15.067 -7.705 -13.268 128 HE ARG 18 HE ARG 18 -15.877 -8.939 -10.955 129 1HH1 ARG 18 1HH2 ARG 18 -17.431 -9.794 -13.774 130 2HH1 ARG 18 2HH2 ARG 18 -16.892 -11.440 -13.795 131 1HH2 ARG 18 2HH1 ARG 18 -14.633 -11.013 -11.201 132 2HH2 ARG 18 1HH1 ARG 18 -15.309 -12.130 -12.338 133 H PHE 19 H PHE 19 -14.764 -2.515 -12.168 134 HA PHE 19 HA PHE 19 -12.842 -2.097 -14.418 135 1HB PHE 19 2HB PHE 19 -15.534 -0.757 -14.022 136 2HB PHE 19 1HB PHE 19 -14.325 -0.221 -15.189 137 HD1 PHE 19 HD1 PHE 19 -13.824 -1.520 -17.184 138 HD2 PHE 19 HD2 PHE 19 -16.688 -2.914 -14.298 139 HE1 PHE 19 HE1 PHE 19 -14.629 -3.220 -18.804 140 HE2 PHE 19 HE2 PHE 19 -17.492 -4.613 -15.917 141 HZ PHE 19 HZ PHE 19 -16.463 -4.766 -18.170 142 H PHE 20 H PHE 20 -11.222 -0.776 -13.764 143 HA PHE 20 HA PHE 20 -11.180 0.495 -11.208 144 1HB PHE 20 2HB PHE 20 -9.086 -0.021 -12.264 145 2HB PHE 20 1HB PHE 20 -9.510 0.910 -13.700 146 HD1 PHE 20 HD1 PHE 20 -10.343 2.075 -10.306 147 HD2 PHE 20 HD2 PHE 20 -7.550 2.371 -13.559 148 HE1 PHE 20 HE1 PHE 20 -9.364 4.111 -9.280 149 HE2 PHE 20 HE2 PHE 20 -6.571 4.407 -12.533 150 HZ PHE 20 HZ PHE 20 -7.478 5.278 -10.393 151 H GLY 21 H GLY 21 -12.926 1.898 -10.907 152 1HA GLY 21 2HA GLY 21 -12.824 4.394 -12.535 153 2HA GLY 21 1HA GLY 21 -14.377 3.601 -12.260 154 H ARG 22 H ARG 22 -15.219 3.545 -10.090 155 HA ARG 22 HA ARG 22 -13.959 5.583 -8.298 156 1HB ARG 22 2HB ARG 22 -16.405 5.622 -7.346 157 2HB ARG 22 1HB ARG 22 -16.049 6.490 -8.840 158 1HG ARG 22 2HG ARG 22 -16.921 4.688 -10.183 159 2HG ARG 22 1HG ARG 22 -17.071 3.640 -8.772 160 1HD ARG 22 2HD ARG 22 -19.259 4.417 -8.998 161 2HD ARG 22 1HD ARG 22 -18.593 5.581 -7.852 162 HE ARG 22 HE ARG 22 -18.717 7.243 -9.538 163 1HH1 ARG 22 2HH1 ARG 22 -20.585 4.705 -10.462 164 2HH1 ARG 22 1HH1 ARG 22 -20.450 4.953 -12.171 165 1HH2 ARG 22 1HH2 ARG 22 -17.916 7.304 -11.896 166 2HH2 ARG 22 2HH2 ARG 22 -18.937 6.424 -12.983 167 H ALA 23 H ALA 23 -13.061 2.933 -8.211 168 HA ALA 23 HA ALA 23 -14.261 1.065 -6.585 169 1HB ALA 23 1HB ALA 23 -11.896 1.024 -7.559 170 2HB ALA 23 2HB ALA 23 -12.091 0.302 -5.962 171 3HB ALA 23 3HB ALA 23 -11.399 1.917 -6.122 172 HA PRO 24 HA PRO 24 -14.920 3.602 -2.932 173 1HB PRO 24 2HB PRO 24 -16.751 1.887 -1.812 174 2HB PRO 24 1HB PRO 24 -17.157 3.066 -3.072 175 1HG PRO 24 2HG PRO 24 -16.872 0.110 -3.294 176 2HG PRO 24 1HG PRO 24 -17.812 1.225 -4.298 177 1HD PRO 24 2HD PRO 24 -15.291 0.086 -4.956 178 2HD PRO 24 1HD PRO 24 -16.117 1.397 -5.826 179 H TYR 25 H TYR 25 -12.858 1.252 -3.261 180 HA TYR 25 HA TYR 25 -12.253 1.051 -0.410 181 1HB TYR 25 2HB TYR 25 -13.555 -1.150 -1.873 182 2HB TYR 25 1HB TYR 25 -12.075 -1.621 -1.037 183 HD1 TYR 25 HD1 TYR 25 -12.000 0.046 1.324 184 HD2 TYR 25 HD2 TYR 25 -15.379 -1.821 -0.565 185 HE1 TYR 25 HE1 TYR 25 -13.214 0.056 3.487 186 HE2 TYR 25 HE2 TYR 25 -16.594 -1.811 1.599 187 HH TYR 25 HH TYR 25 -16.329 -1.557 3.854 188 H PHE 26 H PHE 26 -10.510 2.291 -1.671 189 HA PHE 26 HA PHE 26 -8.726 0.696 -3.350 190 1HB PHE 26 2HB PHE 26 -9.045 3.485 -2.634 191 2HB PHE 26 1HB PHE 26 -7.359 2.996 -2.463 192 HD1 PHE 26 HD1 PHE 26 -10.253 2.927 -4.824 193 HD2 PHE 26 HD2 PHE 26 -5.987 2.671 -4.362 194 HE1 PHE 26 HE1 PHE 26 -9.982 2.986 -7.290 195 HE2 PHE 26 HE2 PHE 26 -5.717 2.730 -6.828 196 HZ PHE 26 HZ PHE 26 -7.714 2.888 -8.292 197 H MET 27 H MET 27 -7.126 -0.603 -2.590 198 HA MET 27 HA MET 27 -6.429 -0.404 0.298 199 1HB MET 27 2HB MET 27 -6.888 -2.594 -1.478 200 2HB MET 27 1HB MET 27 -5.201 -2.660 -0.965 201 1HG MET 27 2HG MET 27 -5.843 -3.453 1.038 202 2HG MET 27 1HG MET 27 -6.776 -1.982 1.317 203 1HE MET 27 1HE MET 27 -6.815 -5.258 1.760 204 2HE MET 27 2HE MET 27 -8.492 -5.790 1.673 205 3HE MET 27 3HE MET 27 -8.050 -4.465 2.747 206 H ILE 28 H ILE 28 -4.619 0.749 0.718 207 HA ILE 28 HA ILE 28 -2.542 0.996 -1.389 208 HB ILE 28 HB ILE 28 -2.680 2.420 1.281 209 1HG1 ILE 28 2HG1 ILE 28 -4.729 2.820 -0.086 210 2HG1 ILE 28 1HG1 ILE 28 -3.741 4.271 0.083 211 1HG2 ILE 28 1HG2 ILE 28 -1.395 4.111 -0.298 212 2HG2 ILE 28 2HG2 ILE 28 -1.046 2.651 -1.222 213 3HG2 ILE 28 3HG2 ILE 28 -0.533 2.773 0.461 214 1HD1 ILE 28 1HD1 ILE 28 -4.109 4.311 -2.202 215 2HD1 ILE 28 2HD1 ILE 28 -4.190 2.553 -2.325 216 3HD1 ILE 28 3HD1 ILE 28 -2.628 3.355 -2.151 217 H VAL 29 H VAL 29 -0.608 -0.049 -1.214 218 HA VAL 29 HA VAL 29 0.116 -1.213 1.441 219 HB VAL 29 HB VAL 29 0.642 -2.615 -1.186 220 1HG1 VAL 29 1HG1 VAL 29 1.880 -3.113 1.039 221 2HG1 VAL 29 2HG1 VAL 29 1.181 -4.475 0.164 222 3HG1 VAL 29 3HG1 VAL 29 0.349 -3.808 1.569 223 1HG2 VAL 29 1HG2 VAL 29 -1.775 -2.728 0.626 224 2HG2 VAL 29 2HG2 VAL 29 -1.327 -4.090 -0.402 225 3HG2 VAL 29 3HG2 VAL 29 -1.732 -2.534 -1.127 226 H GLU 30 H GLU 30 2.269 -0.929 1.987 227 HA GLU 30 HA GLU 30 3.997 0.327 -0.111 228 1HB GLU 30 2HB GLU 30 3.432 1.921 1.656 229 2HB GLU 30 1HB GLU 30 3.980 0.783 2.888 230 1HG GLU 30 2HG GLU 30 6.015 1.201 0.851 231 2HG GLU 30 1HG GLU 30 5.544 2.720 1.611 232 H MET 31 H MET 31 5.075 -1.552 -0.780 233 HA MET 31 HA MET 31 6.219 -3.390 1.200 234 1HB MET 31 2HB MET 31 5.392 -4.136 -1.057 235 2HB MET 31 1HB MET 31 6.734 -3.252 -1.786 236 1HG MET 31 2HG MET 31 8.351 -4.622 -0.599 237 2HG MET 31 1HG MET 31 7.064 -5.432 0.294 238 1HE MET 31 1HE MET 31 4.859 -5.838 -2.577 239 2HE MET 31 2HE MET 31 5.046 -6.128 -0.850 240 3HE MET 31 3HE MET 31 5.147 -7.477 -1.978 241 H LYS 32 H LYS 32 8.453 -3.567 1.683 242 HA LYS 32 HA LYS 32 10.015 -1.120 1.035 243 1HB LYS 32 2HB LYS 32 9.680 -2.651 3.394 244 2HB LYS 32 1HB LYS 32 11.352 -2.882 2.880 245 1HG LYS 32 2HG LYS 32 11.578 -0.401 2.661 246 2HG LYS 32 1HG LYS 32 9.949 -0.229 3.316 247 1HD LYS 32 2HD LYS 32 11.470 -1.981 5.016 248 2HD LYS 32 1HD LYS 32 12.374 -0.488 4.765 249 1HE LYS 32 2HE LYS 32 10.129 0.712 5.248 250 2HE LYS 32 1HE LYS 32 9.609 -0.835 5.915 251 1HZ LYS 32 1HZ LYS 32 12.110 -0.404 6.957 252 2HZ LYS 32 2HZ LYS 32 10.629 -0.237 7.774 253 3HZ LYS 32 3HZ LYS 32 11.353 1.112 7.037 254 H LYS 33 H LYS 33 10.968 -4.530 1.608 255 HA LYS 33 HA LYS 33 12.433 -4.450 -0.985 256 1HB LYS 33 2HB LYS 33 13.935 -3.867 1.000 257 2HB LYS 33 1HB LYS 33 13.687 -5.526 1.548 258 1HG LYS 33 2HG LYS 33 14.722 -6.434 -0.391 259 2HG LYS 33 1HG LYS 33 14.643 -4.893 -1.247 260 1HD LYS 33 2HD LYS 33 16.066 -4.194 0.987 261 2HD LYS 33 1HD LYS 33 16.622 -5.848 0.721 262 1HE LYS 33 2HE LYS 33 16.736 -3.522 -1.208 263 2HE LYS 33 1HE LYS 33 18.082 -4.462 -0.563 264 1HZ LYS 33 1HZ LYS 33 17.852 -5.508 -2.535 265 2HZ LYS 33 2HZ LYS 33 16.205 -5.119 -2.693 266 3HZ LYS 33 3HZ LYS 33 16.687 -6.397 -1.682 267 H GLY 34 H GLY 34 10.235 -5.802 -1.132 268 1HA GLY 34 2HA GLY 34 9.535 -7.972 -1.772 269 2HA GLY 34 1HA GLY 34 11.071 -8.606 -1.181 270 H ASN 35 H ASN 35 8.952 -6.587 0.780 271 HA ASN 35 HA ASN 35 7.770 -8.876 2.165 272 1HB ASN 35 2HB ASN 35 8.800 -8.223 4.380 273 2HB ASN 35 1HB ASN 35 9.931 -8.945 3.235 274 1HD2 ASN 35 1HD2 ASN 35 11.397 -7.430 2.054 275 2HD2 ASN 35 2HD2 ASN 35 11.765 -5.918 2.730 276 H ILE 36 H ILE 36 5.761 -7.893 1.889 277 HA ILE 36 HA ILE 36 5.029 -5.232 2.067 278 HB ILE 36 HB ILE 36 3.443 -7.456 3.376 279 1HG1 ILE 36 2HG1 ILE 36 2.522 -7.159 0.773 280 2HG1 ILE 36 1HG1 ILE 36 4.276 -7.068 0.590 281 1HG2 ILE 36 1HG2 ILE 36 2.136 -5.609 3.725 282 2HG2 ILE 36 2HG2 ILE 36 1.679 -5.887 2.045 283 3HG2 ILE 36 3HG2 ILE 36 2.913 -4.689 2.436 284 1HD1 ILE 36 1HD1 ILE 36 3.674 -9.157 2.455 285 2HD1 ILE 36 2HD1 ILE 36 4.435 -9.292 0.868 286 3HD1 ILE 36 3HD1 ILE 36 2.680 -9.392 1.016 287 H GLU 37 H GLU 37 4.987 -3.705 3.676 288 HA GLU 37 HA GLU 37 5.323 -4.660 6.489 289 1HB GLU 37 2HB GLU 37 6.887 -2.589 4.972 290 2HB GLU 37 1HB GLU 37 6.685 -2.430 6.717 291 1HG GLU 37 2HG GLU 37 7.352 -5.132 6.281 292 2HG GLU 37 1HG GLU 37 8.437 -4.202 5.246 293 H SER 38 H SER 38 3.049 -3.513 4.708 294 HA SER 38 HA SER 38 1.632 -2.151 6.736 295 1HB SER 38 2HB SER 38 2.800 -0.184 6.728 296 2HB SER 38 1HB SER 38 3.438 -0.452 5.109 297 HG SER 38 HG SER 38 1.628 0.363 4.248 298 H SER 39 H SER 39 -0.476 -2.258 6.121 299 HA SER 39 HA SER 39 -1.205 -1.868 3.284 300 1HB SER 39 2HB SER 39 -2.592 -4.022 3.406 301 2HB SER 39 1HB SER 39 -0.852 -4.223 3.227 302 HG SER 39 HG SER 39 -1.986 -5.489 4.927 303 H GLU 40 H GLU 40 -2.677 -0.249 3.611 304 HA GLU 40 HA GLU 40 -4.756 -0.701 5.717 305 1HB GLU 40 2HB GLU 40 -4.099 2.018 4.613 306 2HB GLU 40 1HB GLU 40 -4.805 1.595 6.174 307 1HG GLU 40 2HG GLU 40 -2.733 1.765 7.046 308 2HG GLU 40 1HG GLU 40 -2.322 0.302 6.150 309 H VAL 41 H VAL 41 -6.899 0.307 5.150 310 HA VAL 41 HA VAL 41 -7.351 0.270 2.192 311 HB VAL 41 HB VAL 41 -8.229 -1.777 3.305 312 1HG1 VAL 41 1HG1 VAL 41 -9.757 0.289 4.901 313 2HG1 VAL 41 2HG1 VAL 41 -8.715 -0.997 5.511 314 3HG1 VAL 41 3HG1 VAL 41 -10.274 -1.393 4.787 315 1HG2 VAL 41 1HG2 VAL 41 -9.512 -1.360 1.429 316 2HG2 VAL 41 2HG2 VAL 41 -9.984 0.247 1.980 317 3HG2 VAL 41 3HG2 VAL 41 -10.758 -1.181 2.664 318 H ILE 42 H ILE 42 -8.902 1.772 1.414 319 HA ILE 42 HA ILE 42 -10.094 3.635 3.400 320 HB ILE 42 HB ILE 42 -8.083 4.795 2.816 321 1HG1 ILE 42 2HG1 ILE 42 -8.954 6.710 1.448 322 2HG1 ILE 42 1HG1 ILE 42 -10.387 5.748 1.086 323 1HG2 ILE 42 1HG2 ILE 42 -8.241 5.064 -0.012 324 2HG2 ILE 42 2HG2 ILE 42 -8.399 3.346 0.357 325 3HG2 ILE 42 3HG2 ILE 42 -6.992 4.245 0.929 326 1HD1 ILE 42 1HD1 ILE 42 -10.486 5.486 3.716 327 2HD1 ILE 42 2HD1 ILE 42 -11.130 6.933 2.940 328 3HD1 ILE 42 3HD1 ILE 42 -9.532 6.969 3.685 329 H GLU 43 H GLU 43 -11.928 4.809 2.526 330 HA GLU 43 HA GLU 43 -13.209 3.352 0.286 331 1HB GLU 43 2HB GLU 43 -14.302 5.389 2.250 332 2HB GLU 43 1HB GLU 43 -15.256 4.586 1.003 333 1HG GLU 43 2HG GLU 43 -15.661 3.119 2.728 334 2HG GLU 43 1HG GLU 43 -14.156 2.414 2.136 335 H ASN 44 H ASN 44 -11.498 4.532 -1.114 336 HA ASN 44 HA ASN 44 -10.997 6.202 -2.685 337 1HB ASN 44 2HB ASN 44 -13.849 5.782 -2.661 338 2HB ASN 44 1HB ASN 44 -13.504 7.480 -2.998 339 1HD2 ASN 44 1HD2 ASN 44 -14.402 6.716 -5.239 340 2HD2 ASN 44 2HD2 ASN 44 -13.265 6.097 -6.337 341 HA PRO 45 HA PRO 45 -10.759 9.519 0.418 342 1HB PRO 45 2HB PRO 45 -8.110 10.053 -0.094 343 2HB PRO 45 1HB PRO 45 -8.656 8.814 1.048 344 1HG PRO 45 2HG PRO 45 -7.514 8.473 -1.686 345 2HG PRO 45 1HG PRO 45 -7.485 7.357 -0.311 346 1HD PRO 45 2HD PRO 45 -9.209 7.179 -2.547 347 2HD PRO 45 1HD PRO 45 -9.387 6.290 -1.018 348 H SER 46 H SER 46 -11.799 11.284 -0.477 349 HA SER 46 HA SER 46 -12.222 13.101 -1.903 350 1HB SER 46 2HB SER 46 -9.779 13.469 -0.945 351 2HB SER 46 1HB SER 46 -9.311 13.166 -2.616 352 HG SER 46 HG SER 46 -10.277 14.972 -3.224 353 H ALA 47 H ALA 47 -11.904 10.241 -3.024 354 HA ALA 47 HA ALA 47 -10.855 10.487 -5.689 355 1HB ALA 47 1HB ALA 47 -12.499 8.460 -6.045 356 2HB ALA 47 2HB ALA 47 -12.671 8.545 -4.291 357 3HB ALA 47 3HB ALA 47 -11.084 8.265 -5.009 358 H SER 48 H SER 48 -13.924 11.314 -4.237 359 HA SER 48 HA SER 48 -14.792 12.381 -6.881 360 1HB SER 48 2HB SER 48 -16.522 10.791 -4.962 361 2HB SER 48 1HB SER 48 -17.113 11.630 -6.393 362 HG SER 48 HG SER 48 -16.241 9.211 -6.312 363 H ALA 49 H ALA 49 -13.588 13.907 -4.899 364 HA ALA 49 HA ALA 49 -15.308 15.064 -2.968 365 1HB ALA 49 1HB ALA 49 -13.254 16.670 -4.481 366 2HB ALA 49 2HB ALA 49 -12.766 15.413 -3.344 367 3HB ALA 49 3HB ALA 49 -13.712 16.793 -2.782 368 H SER 50 H SER 50 -14.731 16.007 -6.365 369 HA SER 50 HA SER 50 -17.172 17.727 -6.163 370 1HB SER 50 2HB SER 50 -16.228 19.060 -7.994 371 2HB SER 50 1HB SER 50 -15.084 18.976 -6.658 372 HG SER 50 HG SER 50 -14.924 17.963 -9.209 373 H GLY 51 H GLY 51 -16.983 14.803 -6.779 374 1HA GLY 51 2HA GLY 51 -18.288 13.423 -8.192 375 2HA GLY 51 1HA GLY 51 -18.702 14.849 -9.144 376 H GLY 52 H GLY 52 -18.185 14.076 -11.191 377 1HA GLY 52 2HA GLY 52 -16.382 14.178 -12.860 378 2HA GLY 52 1HA GLY 52 -15.285 13.521 -11.645 379 H ALA 53 H ALA 53 -14.715 11.489 -12.262 380 HA ALA 53 HA ALA 53 -16.859 9.523 -12.759 381 1HB ALA 53 1HB ALA 53 -14.915 10.463 -14.830 382 2HB ALA 53 2HB ALA 53 -16.594 9.957 -15.017 383 3HB ALA 53 3HB ALA 53 -15.328 8.749 -14.796 384 H GLY 54 H GLY 54 -13.294 9.880 -13.007 385 1HA GLY 54 2HA GLY 54 -12.459 8.524 -10.785 386 2HA GLY 54 1HA GLY 54 -12.918 7.207 -11.864 387 H ILE 55 H ILE 55 -12.109 9.043 -14.194 388 HA ILE 55 HA ILE 55 -9.421 8.021 -14.466 389 HB ILE 55 HB ILE 55 -10.771 10.212 -16.072 390 1HG1 ILE 55 2HG1 ILE 55 -12.163 8.193 -16.026 391 2HG1 ILE 55 1HG1 ILE 55 -11.399 8.354 -17.608 392 1HG2 ILE 55 1HG2 ILE 55 -9.103 8.636 -17.678 393 2HG2 ILE 55 2HG2 ILE 55 -8.186 8.883 -16.192 394 3HG2 ILE 55 3HG2 ILE 55 -8.768 10.271 -17.110 395 1HD1 ILE 55 1HD1 ILE 55 -10.500 6.309 -17.353 396 2HD1 ILE 55 2HD1 ILE 55 -11.179 6.189 -15.730 397 3HD1 ILE 55 3HD1 ILE 55 -9.588 6.911 -15.969 398 H ARG 56 H ARG 56 -10.744 11.282 -13.863 399 HA ARG 56 HA ARG 56 -8.216 12.614 -13.751 400 1HB ARG 56 2HB ARG 56 -11.004 13.213 -12.998 401 2HB ARG 56 1HB ARG 56 -9.795 14.058 -12.031 402 1HG ARG 56 2HG ARG 56 -10.028 15.524 -13.824 403 2HG ARG 56 1HG ARG 56 -8.683 14.527 -14.377 404 1HD ARG 56 2HD ARG 56 -9.999 13.353 -15.899 405 2HD ARG 56 1HD ARG 56 -11.490 13.676 -15.013 406 HE ARG 56 HE ARG 56 -11.729 15.512 -16.456 407 1HH1 ARG 56 1HH2 ARG 56 -8.524 14.469 -16.690 408 2HH1 ARG 56 2HH2 ARG 56 -7.887 15.999 -17.192 409 1HH2 ARG 56 2HH1 ARG 56 -10.870 17.699 -16.700 410 2HH2 ARG 56 1HH1 ARG 56 -9.215 17.828 -17.198 411 H THR 57 H THR 57 -10.062 10.812 -11.346 412 HA THR 57 HA THR 57 -8.657 11.624 -9.015 413 HB THR 57 HB THR 57 -9.960 8.985 -9.732 414 HG1 THR 57 HG1 THR 57 -11.591 9.824 -8.410 415 1HG2 THR 57 1HG2 THR 57 -9.936 8.667 -7.200 416 2HG2 THR 57 2HG2 THR 57 -8.729 9.954 -7.148 417 3HG2 THR 57 3HG2 THR 57 -8.387 8.457 -8.018 418 H ALA 58 H ALA 58 -7.703 9.566 -11.653 419 HA ALA 58 HA ALA 58 -5.719 7.968 -10.454 420 1HB ALA 58 1HB ALA 58 -4.712 7.804 -12.638 421 2HB ALA 58 2HB ALA 58 -5.444 9.324 -13.148 422 3HB ALA 58 3HB ALA 58 -6.458 7.906 -12.874 423 H GLN 59 H GLN 59 -5.316 11.242 -11.858 424 HA GLN 59 HA GLN 59 -2.620 11.665 -11.344 425 1HB GLN 59 2HB GLN 59 -4.579 13.273 -12.212 426 2HB GLN 59 1HB GLN 59 -4.466 13.874 -10.558 427 1HG GLN 59 2HG GLN 59 -2.753 15.148 -11.313 428 2HG GLN 59 1HG GLN 59 -1.813 13.654 -11.302 429 1HE2 GLN 59 1HE2 GLN 59 -1.189 15.662 -13.198 430 2HE2 GLN 59 2HE2 GLN 59 -1.630 15.121 -14.746 431 H ILE 60 H ILE 60 -5.305 12.026 -9.019 432 HA ILE 60 HA ILE 60 -3.696 12.885 -6.820 433 HB ILE 60 HB ILE 60 -6.250 11.250 -6.720 434 1HG1 ILE 60 2HG1 ILE 60 -5.779 14.240 -6.932 435 2HG1 ILE 60 1HG1 ILE 60 -6.604 13.215 -8.105 436 1HG2 ILE 60 1HG2 ILE 60 -6.468 11.967 -4.501 437 2HG2 ILE 60 2HG2 ILE 60 -5.354 13.315 -4.724 438 3HG2 ILE 60 3HG2 ILE 60 -4.734 11.666 -4.625 439 1HD1 ILE 60 1HD1 ILE 60 -7.525 13.723 -5.259 440 2HD1 ILE 60 2HD1 ILE 60 -8.349 12.702 -6.438 441 3HD1 ILE 60 3HD1 ILE 60 -8.229 14.441 -6.707 442 H ILE 61 H ILE 61 -4.625 9.644 -7.949 443 HA ILE 61 HA ILE 61 -3.447 8.223 -5.746 444 HB ILE 61 HB ILE 61 -4.040 7.387 -8.599 445 1HG1 ILE 61 2HG1 ILE 61 -5.433 6.862 -5.952 446 2HG1 ILE 61 1HG1 ILE 61 -6.007 7.941 -7.225 447 1HG2 ILE 61 1HG2 ILE 61 -3.383 5.595 -6.248 448 2HG2 ILE 61 2HG2 ILE 61 -2.198 6.054 -7.470 449 3HG2 ILE 61 3HG2 ILE 61 -3.619 5.115 -7.928 450 1HD1 ILE 61 1HD1 ILE 61 -7.149 6.117 -7.960 451 2HD1 ILE 61 2HD1 ILE 61 -6.123 4.998 -7.062 452 3HD1 ILE 61 3HD1 ILE 61 -5.593 5.620 -8.624 453 H ALA 62 H ALA 62 -2.106 9.798 -8.515 454 HA ALA 62 HA ALA 62 0.370 8.261 -8.574 455 1HB ALA 62 1HB ALA 62 0.987 9.629 -10.342 456 2HB ALA 62 2HB ALA 62 0.205 11.050 -9.652 457 3HB ALA 62 3HB ALA 62 -0.767 9.795 -10.421 458 H ASN 63 H ASN 63 -0.723 11.281 -7.080 459 HA ASN 63 HA ASN 63 1.925 12.009 -6.120 460 1HB ASN 63 2HB ASN 63 -0.783 12.941 -5.125 461 2HB ASN 63 1HB ASN 63 0.766 13.744 -4.861 462 1HD2 ASN 63 1HD2 ASN 63 -1.614 14.833 -6.307 463 2HD2 ASN 63 2HD2 ASN 63 -1.079 15.181 -7.880 464 H ASN 64 H ASN 64 -0.050 9.498 -5.280 465 HA ASN 64 HA ASN 64 0.278 9.668 -2.370 466 1HB ASN 64 2HB ASN 64 -1.068 7.865 -4.293 467 2HB ASN 64 1HB ASN 64 -0.448 7.083 -2.838 468 1HD2 ASN 64 1HD2 ASN 64 -1.390 10.468 -2.688 469 2HD2 ASN 64 2HD2 ASN 64 -2.808 10.229 -1.787 470 H GLY 65 H GLY 65 2.282 8.816 -4.938 471 1HA GLY 65 2HA GLY 65 4.586 8.165 -4.600 472 2HA GLY 65 1HA GLY 65 4.126 7.444 -3.056 473 H VAL 66 H VAL 66 1.730 6.189 -4.433 474 HA VAL 66 HA VAL 66 2.853 3.623 -4.942 475 HB VAL 66 HB VAL 66 0.618 3.120 -5.982 476 1HG1 VAL 66 1HG1 VAL 66 -0.418 4.429 -3.677 477 2HG1 VAL 66 2HG1 VAL 66 1.234 3.940 -3.300 478 3HG1 VAL 66 3HG1 VAL 66 0.060 2.739 -3.835 479 1HG2 VAL 66 1HG2 VAL 66 0.609 5.834 -6.523 480 2HG2 VAL 66 2HG2 VAL 66 -0.499 5.711 -5.157 481 3HG2 VAL 66 3HG2 VAL 66 -0.799 4.775 -6.621 482 H LYS 67 H LYS 67 4.537 3.754 -6.460 483 HA LYS 67 HA LYS 67 4.078 4.965 -9.084 484 1HB LYS 67 2HB LYS 67 6.332 3.442 -7.793 485 2HB LYS 67 1HB LYS 67 6.324 3.692 -9.540 486 1HG LYS 67 2HG LYS 67 6.591 5.979 -9.357 487 2HG LYS 67 1HG LYS 67 5.784 6.053 -7.791 488 1HD LYS 67 2HD LYS 67 7.996 6.384 -7.155 489 2HD LYS 67 1HD LYS 67 7.865 4.632 -6.997 490 1HE LYS 67 2HE LYS 67 8.717 4.440 -9.366 491 2HE LYS 67 1HE LYS 67 9.032 6.174 -9.329 492 1HZ LYS 67 1HZ LYS 67 10.942 4.665 -8.714 493 2HZ LYS 67 2HZ LYS 67 10.103 4.335 -7.274 494 3HZ LYS 67 3HZ LYS 67 10.599 5.922 -7.627 495 H ALA 68 H ALA 68 3.066 2.137 -7.646 496 HA ALA 68 HA ALA 68 2.720 0.859 -10.325 497 1HB ALA 68 1HB ALA 68 2.945 -1.106 -8.195 498 2HB ALA 68 2HB ALA 68 4.408 -0.128 -8.311 499 3HB ALA 68 3HB ALA 68 3.825 -1.012 -9.720 500 H VAL 69 H VAL 69 0.520 1.214 -10.529 501 HA VAL 69 HA VAL 69 -1.189 0.446 -8.198 502 HB VAL 69 HB VAL 69 -1.690 2.324 -10.519 503 1HG1 VAL 69 1HG1 VAL 69 -3.616 1.516 -8.321 504 2HG1 VAL 69 2HG1 VAL 69 -3.694 0.910 -9.975 505 3HG1 VAL 69 3HG1 VAL 69 -3.939 2.627 -9.652 506 1HG2 VAL 69 1HG2 VAL 69 -1.123 3.934 -9.043 507 2HG2 VAL 69 2HG2 VAL 69 -0.620 2.666 -7.924 508 3HG2 VAL 69 3HG2 VAL 69 -2.265 3.301 -7.857 509 H ILE 70 H ILE 70 -2.488 -1.311 -8.422 510 HA ILE 70 HA ILE 70 -2.543 -2.681 -11.049 511 HB ILE 70 HB ILE 70 -3.399 -3.511 -8.264 512 1HG1 ILE 70 2HG1 ILE 70 -1.624 -5.337 -8.957 513 2HG1 ILE 70 1HG1 ILE 70 -1.101 -4.105 -10.105 514 1HG2 ILE 70 1HG2 ILE 70 -4.951 -4.694 -9.525 515 2HG2 ILE 70 2HG2 ILE 70 -3.581 -5.803 -9.586 516 3HG2 ILE 70 3HG2 ILE 70 -3.913 -4.736 -10.950 517 1HD1 ILE 70 1HD1 ILE 70 -0.392 -4.268 -7.396 518 2HD1 ILE 70 2HD1 ILE 70 -1.560 -2.950 -7.481 519 3HD1 ILE 70 3HD1 ILE 70 -0.106 -2.905 -8.476 520 H ALA 71 H ALA 71 -4.232 -2.275 -12.392 521 HA ALA 71 HA ALA 71 -6.964 -2.140 -11.319 522 1HB ALA 71 1HB ALA 71 -6.454 0.172 -13.055 523 2HB ALA 71 2HB ALA 71 -5.595 0.252 -11.517 524 3HB ALA 71 3HB ALA 71 -7.351 0.083 -11.539 525 H SER 72 H SER 72 -8.487 -1.603 -13.300 526 HA SER 72 HA SER 72 -7.383 -2.521 -15.874 527 1HB SER 72 2HB SER 72 -9.311 -4.274 -15.941 528 2HB SER 72 1HB SER 72 -7.841 -4.676 -15.057 529 HG SER 72 HG SER 72 -9.693 -5.097 -13.808 530 H SER 73 H SER 73 -8.356 -0.031 -15.433 531 HA SER 73 HA SER 73 -11.059 0.551 -15.574 532 1HB SER 73 2HB SER 73 -9.683 2.055 -17.635 533 2HB SER 73 1HB SER 73 -10.314 2.613 -16.089 534 HG SER 73 HG SER 73 -8.012 2.811 -16.302 535 HA PRO 74 HA PRO 74 -12.622 -1.091 -19.330 536 1HB PRO 74 2HB PRO 74 -14.359 0.893 -20.107 537 2HB PRO 74 1HB PRO 74 -14.672 -0.204 -18.752 538 1HG PRO 74 2HG PRO 74 -13.873 2.667 -18.693 539 2HG PRO 74 1HG PRO 74 -14.767 1.726 -17.487 540 1HD PRO 74 2HD PRO 74 -12.024 2.428 -17.351 541 2HD PRO 74 1HD PRO 74 -12.853 1.237 -16.326 542 H GLY 75 H GLY 75 -10.593 1.574 -19.370 543 1HA GLY 75 2HA GLY 75 -9.994 1.222 -22.203 544 2HA GLY 75 1HA GLY 75 -10.715 2.791 -21.842 545 HA PRO 76 HA PRO 76 -6.108 2.777 -20.875 546 1HB PRO 76 2HB PRO 76 -5.208 4.019 -23.156 547 2HB PRO 76 1HB PRO 76 -5.299 2.259 -22.972 548 1HG PRO 76 2HG PRO 76 -7.061 4.073 -24.550 549 2HG PRO 76 1HG PRO 76 -6.710 2.355 -24.798 550 1HD PRO 76 2HD PRO 76 -9.058 3.423 -23.620 551 2HD PRO 76 1HD PRO 76 -8.556 1.718 -23.599 552 H ASN 77 H ASN 77 -8.640 4.817 -21.178 553 HA ASN 77 HA ASN 77 -7.541 7.414 -21.480 554 1HB ASN 77 2HB ASN 77 -9.863 6.518 -19.742 555 2HB ASN 77 1HB ASN 77 -9.527 8.186 -20.209 556 1HD2 ASN 77 1HD2 ASN 77 -9.181 8.355 -22.789 557 2HD2 ASN 77 2HD2 ASN 77 -10.352 7.543 -23.709 558 H ALA 78 H ALA 78 -7.937 5.424 -18.542 559 HA ALA 78 HA ALA 78 -6.710 7.445 -16.838 560 1HB ALA 78 1HB ALA 78 -6.594 4.794 -15.705 561 2HB ALA 78 2HB ALA 78 -8.171 5.052 -16.452 562 3HB ALA 78 3HB ALA 78 -7.591 6.163 -15.211 563 H PHE 79 H PHE 79 -5.639 4.279 -18.123 564 HA PHE 79 HA PHE 79 -3.048 4.269 -17.007 565 1HB PHE 79 2HB PHE 79 -3.593 3.293 -19.809 566 2HB PHE 79 1HB PHE 79 -2.498 2.615 -18.605 567 HD1 PHE 79 HD1 PHE 79 -4.344 2.769 -16.204 568 HD2 PHE 79 HD2 PHE 79 -5.000 1.405 -20.226 569 HE1 PHE 79 HE1 PHE 79 -6.151 1.269 -15.402 570 HE2 PHE 79 HE2 PHE 79 -6.807 -0.094 -19.424 571 HZ PHE 79 HZ PHE 79 -7.382 -0.162 -17.013 572 H GLU 80 H GLU 80 -4.353 6.290 -19.490 573 HA GLU 80 HA GLU 80 -1.798 6.950 -20.720 574 1HB GLU 80 2HB GLU 80 -4.509 7.411 -21.311 575 2HB GLU 80 1HB GLU 80 -3.813 9.008 -21.033 576 1HG GLU 80 2HG GLU 80 -3.447 8.570 -23.344 577 2HG GLU 80 1HG GLU 80 -1.893 8.266 -22.566 578 H VAL 81 H VAL 81 -3.952 8.594 -18.386 579 HA VAL 81 HA VAL 81 -2.262 10.881 -18.030 580 HB VAL 81 HB VAL 81 -4.141 9.667 -15.983 581 1HG1 VAL 81 1HG1 VAL 81 -2.593 12.161 -16.220 582 2HG1 VAL 81 2HG1 VAL 81 -3.289 11.401 -14.789 583 3HG1 VAL 81 3HG1 VAL 81 -4.295 12.409 -15.830 584 1HG2 VAL 81 1HG2 VAL 81 -5.145 10.026 -18.295 585 2HG2 VAL 81 2HG2 VAL 81 -4.791 11.741 -18.096 586 3HG2 VAL 81 3HG2 VAL 81 -5.915 10.940 -16.997 587 H LEU 82 H LEU 82 -2.605 7.911 -16.057 588 HA LEU 82 HA LEU 82 -0.612 8.494 -14.148 589 1HB LEU 82 2HB LEU 82 -1.706 5.940 -15.292 590 2HB LEU 82 1HB LEU 82 -0.324 5.879 -14.198 591 HG LEU 82 HG LEU 82 -2.483 7.644 -13.267 592 1HD1 LEU 82 1HD1 LEU 82 -3.841 5.884 -14.352 593 2HD1 LEU 82 2HD1 LEU 82 -3.973 5.798 -12.596 594 3HD1 LEU 82 3HD1 LEU 82 -2.949 4.652 -13.460 595 1HD2 LEU 82 1HD2 LEU 82 -1.279 7.204 -11.412 596 2HD2 LEU 82 2HD2 LEU 82 -0.373 5.948 -12.255 597 3HD2 LEU 82 3HD2 LEU 82 -1.893 5.552 -11.454 598 H ASN 83 H ASN 83 -0.266 6.854 -17.306 599 HA ASN 83 HA ASN 83 2.515 6.333 -17.135 600 1HB ASN 83 2HB ASN 83 0.950 5.499 -18.930 601 2HB ASN 83 1HB ASN 83 1.012 7.109 -19.649 602 1HD2 ASN 83 1HD2 ASN 83 2.040 5.929 -21.553 603 2HD2 ASN 83 2HD2 ASN 83 3.707 5.610 -21.497 604 H GLU 84 H GLU 84 0.786 9.238 -18.250 605 HA GLU 84 HA GLU 84 3.014 10.707 -19.187 606 1HB GLU 84 2HB GLU 84 0.270 11.270 -18.414 607 2HB GLU 84 1HB GLU 84 1.349 12.577 -17.921 608 1HG GLU 84 2HG GLU 84 2.255 11.958 -20.463 609 2HG GLU 84 1HG GLU 84 0.506 11.775 -20.612 610 H LEU 85 H LEU 85 1.592 10.669 -15.899 611 HA LEU 85 HA LEU 85 3.511 12.413 -14.725 612 1HB LEU 85 2HB LEU 85 1.457 10.542 -13.785 613 2HB LEU 85 1HB LEU 85 2.835 10.664 -12.690 614 HG LEU 85 HG LEU 85 2.590 13.047 -12.511 615 1HD1 LEU 85 1HD1 LEU 85 1.930 14.146 -14.369 616 2HD1 LEU 85 2HD1 LEU 85 0.276 13.709 -13.938 617 3HD1 LEU 85 3HD1 LEU 85 1.198 12.690 -15.045 618 1HD2 LEU 85 1HD2 LEU 85 1.065 12.197 -10.987 619 2HD2 LEU 85 2HD2 LEU 85 0.116 11.385 -12.233 620 3HD2 LEU 85 3HD2 LEU 85 -0.028 13.129 -12.011 621 H GLY 86 H GLY 86 3.669 9.008 -15.546 622 1HA GLY 86 2HA GLY 86 5.947 8.092 -15.928 623 2HA GLY 86 1HA GLY 86 6.472 8.990 -14.504 624 H ILE 87 H ILE 87 3.391 7.656 -14.051 625 HA ILE 87 HA ILE 87 4.558 5.591 -12.270 626 HB ILE 87 HB ILE 87 1.760 6.717 -12.551 627 1HG1 ILE 87 2HG1 ILE 87 2.317 7.325 -10.105 628 2HG1 ILE 87 1HG1 ILE 87 3.989 6.948 -10.523 629 1HG2 ILE 87 1HG2 ILE 87 2.831 4.383 -10.976 630 2HG2 ILE 87 2HG2 ILE 87 1.355 4.484 -11.934 631 3HG2 ILE 87 3HG2 ILE 87 1.455 5.311 -10.380 632 1HD1 ILE 87 1HD1 ILE 87 4.197 8.767 -11.919 633 2HD1 ILE 87 2HD1 ILE 87 2.978 9.414 -10.821 634 3HD1 ILE 87 3HD1 ILE 87 2.495 8.741 -12.378 635 H LYS 88 H LYS 88 3.990 3.375 -12.460 636 HA LYS 88 HA LYS 88 2.949 2.637 -15.155 637 1HB LYS 88 2HB LYS 88 4.136 0.565 -14.919 638 2HB LYS 88 1HB LYS 88 5.243 1.839 -14.407 639 1HG LYS 88 2HG LYS 88 3.708 1.060 -12.131 640 2HG LYS 88 1HG LYS 88 4.319 -0.408 -12.897 641 1HD LYS 88 2HD LYS 88 6.483 1.338 -13.006 642 2HD LYS 88 1HD LYS 88 5.774 1.649 -11.422 643 1HE LYS 88 2HE LYS 88 6.955 -0.175 -10.761 644 2HE LYS 88 1HE LYS 88 5.669 -1.090 -11.546 645 1HZ LYS 88 1HZ LYS 88 7.183 -1.875 -12.934 646 2HZ LYS 88 2HZ LYS 88 8.390 -0.878 -12.273 647 3HZ LYS 88 3HZ LYS 88 7.416 -0.310 -13.545 648 H ILE 89 H ILE 89 1.434 0.843 -15.294 649 HA ILE 89 HA ILE 89 0.009 0.204 -12.755 650 HB ILE 89 HB ILE 89 -1.337 1.038 -15.344 651 1HG1 ILE 89 2HG1 ILE 89 -2.135 2.759 -13.329 652 2HG1 ILE 89 1HG1 ILE 89 -0.422 2.520 -12.980 653 1HG2 ILE 89 1HG2 ILE 89 -3.357 0.509 -14.364 654 2HG2 ILE 89 2HG2 ILE 89 -2.757 0.791 -12.730 655 3HG2 ILE 89 3HG2 ILE 89 -2.344 -0.701 -13.574 656 1HD1 ILE 89 1HD1 ILE 89 0.066 3.967 -14.632 657 2HD1 ILE 89 2HD1 ILE 89 -1.634 4.081 -15.082 658 3HD1 ILE 89 3HD1 ILE 89 -0.618 2.821 -15.784 659 H TYR 90 H TYR 90 -0.743 -1.910 -12.672 660 HA TYR 90 HA TYR 90 -0.018 -3.626 -15.000 661 1HB TYR 90 2HB TYR 90 -0.500 -4.276 -12.079 662 2HB TYR 90 1HB TYR 90 -0.230 -5.498 -13.319 663 HD1 TYR 90 HD1 TYR 90 1.630 -5.588 -11.180 664 HD2 TYR 90 HD2 TYR 90 1.642 -2.942 -14.570 665 HE1 TYR 90 HE1 TYR 90 4.081 -5.291 -10.943 666 HE2 TYR 90 HE2 TYR 90 4.093 -2.648 -14.330 667 HH TYR 90 HH TYR 90 6.013 -3.963 -13.341 668 H ARG 91 H ARG 91 -1.544 -5.540 -15.330 669 HA ARG 91 HA ARG 91 -4.286 -4.495 -15.528 670 1HB ARG 91 2HB ARG 91 -3.292 -5.702 -17.433 671 2HB ARG 91 1HB ARG 91 -3.091 -7.135 -16.426 672 1HG ARG 91 2HG ARG 91 -5.167 -7.764 -17.026 673 2HG ARG 91 1HG ARG 91 -5.785 -6.382 -16.121 674 1HD ARG 91 2HD ARG 91 -5.450 -4.962 -18.153 675 2HD ARG 91 1HD ARG 91 -4.982 -6.410 -19.044 676 HE ARG 91 HE ARG 91 -7.653 -5.616 -18.635 677 1HH1 ARG 91 1HH2 ARG 91 -7.501 -7.720 -16.480 678 2HH1 ARG 91 2HH2 ARG 91 -7.960 -9.147 -17.349 679 1HH2 ARG 91 2HH1 ARG 91 -7.447 -7.731 -20.472 680 2HH2 ARG 91 1HH1 ARG 91 -7.929 -9.153 -19.609 681 H ALA 92 H ALA 92 -5.924 -5.039 -14.155 682 HA ALA 92 HA ALA 92 -5.321 -6.874 -11.926 683 1HB ALA 92 1HB ALA 92 -6.559 -4.600 -11.748 684 2HB ALA 92 2HB ALA 92 -7.225 -5.969 -10.858 685 3HB ALA 92 3HB ALA 92 -7.954 -5.473 -12.385 686 H THR 93 H THR 93 -5.735 -9.010 -12.184 687 HA THR 93 HA THR 93 -7.246 -10.106 -14.344 688 HB THR 93 HB THR 93 -7.143 -12.228 -13.047 689 HG1 THR 93 HG1 THR 93 -5.838 -10.690 -11.069 690 1HG2 THR 93 1HG2 THR 93 -5.015 -12.433 -13.749 691 2HG2 THR 93 2HG2 THR 93 -4.444 -11.322 -12.504 692 3HG2 THR 93 3HG2 THR 93 -5.017 -10.695 -14.049 693 H GLY 94 H GLY 94 -8.182 -8.938 -11.187 694 1HA GLY 94 2HA GLY 94 -10.437 -8.326 -10.624 695 2HA GLY 94 1HA GLY 94 -11.018 -9.363 -11.928 696 H THR 95 H THR 95 -8.601 -10.729 -9.895 697 HA THR 95 HA THR 95 -10.563 -12.676 -8.882 698 HB THR 95 HB THR 95 -7.572 -12.514 -8.401 699 HG1 THR 95 HG1 THR 95 -7.367 -13.384 -10.289 700 1HG2 THR 95 1HG2 THR 95 -7.916 -14.246 -7.012 701 2HG2 THR 95 2HG2 THR 95 -8.612 -15.160 -8.351 702 3HG2 THR 95 3HG2 THR 95 -9.650 -14.170 -7.324 703 H SER 96 H SER 96 -7.845 -11.147 -7.149 704 HA SER 96 HA SER 96 -9.672 -9.983 -5.165 705 1HB SER 96 2HB SER 96 -7.805 -12.264 -4.463 706 2HB SER 96 1HB SER 96 -8.593 -11.230 -3.274 707 HG SER 96 HG SER 96 -10.365 -12.315 -3.573 708 H VAL 97 H VAL 97 -8.650 -8.340 -3.985 709 HA VAL 97 HA VAL 97 -6.213 -7.275 -5.098 710 HB VAL 97 HB VAL 97 -6.389 -5.614 -3.240 711 1HG1 VAL 97 1HG1 VAL 97 -7.968 -4.519 -4.438 712 2HG1 VAL 97 2HG1 VAL 97 -9.190 -5.745 -4.098 713 3HG1 VAL 97 3HG1 VAL 97 -8.053 -5.977 -5.426 714 1HG2 VAL 97 1HG2 VAL 97 -8.295 -7.686 -2.273 715 2HG2 VAL 97 2HG2 VAL 97 -8.787 -6.007 -2.051 716 3HG2 VAL 97 3HG2 VAL 97 -7.273 -6.582 -1.352 717 H GLU 98 H GLU 98 -6.955 -9.152 -2.186 718 HA GLU 98 HA GLU 98 -4.436 -8.867 -0.889 719 1HB GLU 98 2HB GLU 98 -6.434 -9.905 0.170 720 2HB GLU 98 1HB GLU 98 -6.255 -11.295 -0.901 721 1HG GLU 98 2HG GLU 98 -4.438 -12.107 0.232 722 2HG GLU 98 1HG GLU 98 -3.828 -10.495 0.612 723 H GLU 99 H GLU 99 -5.526 -11.076 -3.439 724 HA GLU 99 HA GLU 99 -3.086 -12.634 -3.472 725 1HB GLU 99 2HB GLU 99 -5.591 -12.869 -4.635 726 2HB GLU 99 1HB GLU 99 -4.551 -12.492 -6.009 727 1HG GLU 99 2HG GLU 99 -4.254 -14.772 -4.041 728 2HG GLU 99 1HG GLU 99 -4.519 -14.877 -5.782 729 H ASN 100 H ASN 100 -4.346 -10.039 -5.593 730 HA ASN 100 HA ASN 100 -2.198 -9.821 -7.365 731 1HB ASN 100 2HB ASN 100 -3.690 -7.482 -6.140 732 2HB ASN 100 1HB ASN 100 -2.855 -7.502 -7.694 733 1HD2 ASN 100 1HD2 ASN 100 -5.712 -6.958 -7.365 734 2HD2 ASN 100 2HD2 ASN 100 -6.550 -8.195 -8.170 735 H LEU 101 H LEU 101 -2.428 -8.673 -4.035 736 HA LEU 101 HA LEU 101 -0.191 -6.975 -3.918 737 1HB LEU 101 2HB LEU 101 -1.572 -7.154 -1.979 738 2HB LEU 101 1HB LEU 101 -1.342 -8.900 -1.889 739 HG LEU 101 HG LEU 101 0.978 -8.634 -1.274 740 1HD1 LEU 101 1HD1 LEU 101 1.999 -6.389 -1.074 741 2HD1 LEU 101 2HD1 LEU 101 0.515 -5.664 -1.693 742 3HD1 LEU 101 3HD1 LEU 101 1.484 -6.711 -2.729 743 1HD2 LEU 101 1HD2 LEU 101 0.649 -7.860 0.889 744 2HD2 LEU 101 2HD2 LEU 101 -1.028 -8.067 0.381 745 3HD2 LEU 101 3HD2 LEU 101 -0.290 -6.465 0.357 746 H LYS 102 H LYS 102 -0.218 -10.496 -3.221 747 HA LYS 102 HA LYS 102 2.675 -10.636 -3.147 748 1HB LYS 102 2HB LYS 102 0.417 -12.465 -2.804 749 2HB LYS 102 1HB LYS 102 1.772 -13.215 -3.651 750 1HG LYS 102 2HG LYS 102 2.253 -13.578 -1.363 751 2HG LYS 102 1HG LYS 102 3.250 -12.188 -1.796 752 1HD LYS 102 2HD LYS 102 2.276 -11.133 -0.049 753 2HD LYS 102 1HD LYS 102 0.837 -11.032 -1.065 754 1HE LYS 102 2HE LYS 102 1.102 -13.649 0.199 755 2HE LYS 102 1HE LYS 102 1.014 -12.346 1.384 756 1HZ LYS 102 1HZ LYS 102 -1.067 -13.449 -0.093 757 2HZ LYS 102 2HZ LYS 102 -0.845 -11.869 -0.673 758 3HZ LYS 102 3HZ LYS 102 -1.136 -12.137 0.979 759 H LEU 103 H LEU 103 0.320 -10.713 -5.682 760 HA LEU 103 HA LEU 103 1.904 -12.198 -7.597 761 1HB LEU 103 2HB LEU 103 -0.480 -10.369 -7.794 762 2HB LEU 103 1HB LEU 103 0.330 -10.950 -9.249 763 HG LEU 103 HG LEU 103 -0.530 -12.851 -7.070 764 1HD1 LEU 103 1HD1 LEU 103 -2.346 -13.010 -9.227 765 2HD1 LEU 103 2HD1 LEU 103 -2.228 -11.299 -8.821 766 3HD1 LEU 103 3HD1 LEU 103 -2.689 -12.469 -7.585 767 1HD2 LEU 103 1HD2 LEU 103 0.576 -12.988 -9.813 768 2HD2 LEU 103 2HD2 LEU 103 -0.735 -14.119 -9.482 769 3HD2 LEU 103 3HD2 LEU 103 0.718 -14.139 -8.485 770 H PHE 104 H PHE 104 1.852 -8.878 -6.515 771 HA PHE 104 HA PHE 104 3.204 -7.751 -8.806 772 1HB PHE 104 2HB PHE 104 1.966 -6.371 -7.153 773 2HB PHE 104 1HB PHE 104 3.166 -6.787 -5.928 774 HD1 PHE 104 HD1 PHE 104 5.552 -6.068 -6.220 775 HD2 PHE 104 HD2 PHE 104 2.414 -4.714 -8.825 776 HE1 PHE 104 HE1 PHE 104 7.010 -4.225 -7.020 777 HE2 PHE 104 HE2 PHE 104 3.871 -2.874 -9.625 778 HZ PHE 104 HZ PHE 104 6.169 -2.627 -8.721 779 H THR 105 H THR 105 4.289 -9.175 -5.746 780 HA THR 105 HA THR 105 7.091 -8.560 -6.205 781 HB THR 105 HB THR 105 5.732 -10.529 -4.343 782 HG1 THR 105 HG1 THR 105 5.314 -8.596 -3.547 783 1HG2 THR 105 1HG2 THR 105 8.156 -11.040 -5.030 784 2HG2 THR 105 2HG2 THR 105 7.829 -10.899 -3.302 785 3HG2 THR 105 3HG2 THR 105 8.584 -9.560 -4.168 786 H GLU 106 H GLU 106 4.918 -11.105 -7.169 787 HA GLU 106 HA GLU 106 7.056 -12.988 -7.845 788 1HB GLU 106 2HB GLU 106 4.103 -12.951 -7.921 789 2HB GLU 106 1HB GLU 106 4.861 -13.871 -9.221 790 1HG GLU 106 2HG GLU 106 6.150 -15.167 -7.596 791 2HG GLU 106 1HG GLU 106 5.483 -14.210 -6.272 792 H GLY 107 H GLY 107 5.531 -10.288 -9.345 793 1HA GLY 107 2HA GLY 107 6.080 -9.255 -11.395 794 2HA GLY 107 1HA GLY 107 7.256 -10.540 -11.677 795 H ASN 108 H ASN 108 3.967 -11.389 -10.905 796 HA ASN 108 HA ASN 108 3.702 -12.576 -13.604 797 1HB ASN 108 2HB ASN 108 2.946 -13.408 -11.041 798 2HB ASN 108 1HB ASN 108 1.429 -12.968 -11.827 799 1HD2 ASN 108 1HD2 ASN 108 2.006 -13.666 -14.511 800 2HD2 ASN 108 2HD2 ASN 108 2.253 -15.342 -14.608 801 H LEU 109 H LEU 109 2.113 -10.190 -11.511 802 HA LEU 109 HA LEU 109 0.108 -9.611 -13.597 803 1HB LEU 109 2HB LEU 109 0.207 -9.317 -10.791 804 2HB LEU 109 1HB LEU 109 0.172 -7.680 -11.445 805 HG LEU 109 HG LEU 109 -1.674 -9.041 -13.015 806 1HD1 LEU 109 1HD1 LEU 109 -2.929 -10.485 -11.718 807 2HD1 LEU 109 2HD1 LEU 109 -2.458 -9.707 -10.207 808 3HD1 LEU 109 3HD1 LEU 109 -1.335 -10.791 -11.029 809 1HD2 LEU 109 1HD2 LEU 109 -1.992 -7.311 -10.547 810 2HD2 LEU 109 2HD2 LEU 109 -3.341 -7.754 -11.594 811 3HD2 LEU 109 3HD2 LEU 109 -2.011 -6.789 -12.232 812 H GLU 110 H GLU 110 0.590 -8.216 -15.217 813 HA GLU 110 HA GLU 110 2.171 -5.791 -14.615 814 1HB GLU 110 2HB GLU 110 3.729 -6.176 -16.472 815 2HB GLU 110 1HB GLU 110 3.843 -7.496 -15.307 816 1HG GLU 110 2HG GLU 110 2.619 -8.978 -16.691 817 2HG GLU 110 1HG GLU 110 2.010 -7.665 -17.699 818 H GLU 111 H GLU 111 2.258 -4.413 -16.749 819 HA GLU 111 HA GLU 111 0.338 -4.858 -18.803 820 1HB GLU 111 2HB GLU 111 -1.247 -4.599 -16.914 821 2HB GLU 111 1HB GLU 111 -0.616 -2.977 -16.647 822 1HG GLU 111 2HG GLU 111 -2.677 -2.936 -18.026 823 2HG GLU 111 1HG GLU 111 -1.289 -2.328 -18.927 824 H ILE 112 H ILE 112 0.017 -1.688 -17.787 825 HA ILE 112 HA ILE 112 1.811 -0.790 -19.921 826 HB ILE 112 HB ILE 112 -0.441 0.242 -19.516 827 1HG1 ILE 112 2HG1 ILE 112 1.772 2.260 -19.097 828 2HG1 ILE 112 1HG1 ILE 112 1.566 1.404 -20.626 829 1HG2 ILE 112 1HG2 ILE 112 0.629 1.891 -17.307 830 2HG2 ILE 112 2HG2 ILE 112 0.288 0.213 -16.885 831 3HG2 ILE 112 3HG2 ILE 112 -0.991 1.235 -17.540 832 1HD1 ILE 112 1HD1 ILE 112 -0.151 2.737 -21.218 833 2HD1 ILE 112 2HD1 ILE 112 0.225 3.736 -19.813 834 3HD1 ILE 112 3HD1 ILE 112 -0.971 2.446 -19.684 835 H ARG 113 H ARG 113 3.809 0.106 -19.634 836 HA ARG 113 HA ARG 113 4.646 0.789 -16.851 837 1HB ARG 113 2HB ARG 113 6.918 -0.170 -17.466 838 2HB ARG 113 1HB ARG 113 5.635 -1.364 -17.259 839 1HG ARG 113 2HG ARG 113 5.260 -1.291 -19.744 840 2HG ARG 113 1HG ARG 113 6.682 -0.256 -19.879 841 1HD ARG 113 2HD ARG 113 7.576 -2.365 -18.309 842 2HD ARG 113 1HD ARG 113 6.524 -3.151 -19.487 843 HE ARG 113 HE ARG 113 9.104 -1.981 -20.054 844 1HH1 ARG 113 1HH2 ARG 113 6.569 -3.710 -21.340 845 2HH1 ARG 113 2HH2 ARG 113 6.752 -3.137 -22.965 846 1HH2 ARG 113 2HH1 ARG 113 9.073 -0.701 -22.128 847 2HH2 ARG 113 1HH1 ARG 113 8.169 -1.434 -23.410 848 H SER 114 H SER 114 7.034 1.878 -17.178 849 HA SER 114 HA SER 114 6.505 4.291 -18.706 850 1HB SER 114 2HB SER 114 8.374 3.428 -16.692 851 2HB SER 114 1HB SER 114 9.254 4.172 -18.024 852 HG SER 114 HG SER 114 8.654 5.880 -16.860 853 HA PRO 115 HA PRO 115 8.393 3.147 -22.502 854 1HB PRO 115 2HB PRO 115 9.132 5.647 -23.379 855 2HB PRO 115 1HB PRO 115 7.459 5.059 -23.390 856 1HG PRO 115 2HG PRO 115 8.749 7.022 -21.549 857 2HG PRO 115 1HG PRO 115 7.047 6.876 -22.022 858 1HD PRO 115 2HD PRO 115 8.164 5.992 -19.579 859 2HD PRO 115 1HD PRO 115 6.563 5.553 -20.213 860 H GLY 116 H GLY 116 10.266 5.557 -20.625 861 1HA GLY 116 2HA GLY 116 12.738 4.051 -21.389 862 2HA GLY 116 1HA GLY 116 12.713 5.812 -21.272 863 H SER 117 H SER 117 13.660 6.494 -19.421 864 HA SER 117 HA SER 117 12.767 5.792 -16.824 865 1HB SER 117 2HB SER 117 13.815 3.588 -17.401 866 2HB SER 117 1HB SER 117 15.361 4.414 -17.581 867 HG SER 117 HG SER 117 13.827 3.919 -15.288 868 H GLY 118 H GLY 118 13.608 8.111 -18.324 869 1HA GLY 118 2HA GLY 118 14.661 9.902 -16.721 870 2HA GLY 118 1HA GLY 118 16.114 8.924 -16.933 871 H ARG 119 H ARG 119 17.415 9.464 -18.620 872 HA ARG 119 HA ARG 119 16.607 11.602 -20.430 873 1HB ARG 119 2HB ARG 119 18.995 10.978 -19.470 874 2HB ARG 119 1HB ARG 119 19.057 9.938 -20.894 875 1HG ARG 119 2HG ARG 119 19.418 11.701 -22.247 876 2HG ARG 119 1HG ARG 119 18.024 12.556 -21.586 877 1HD ARG 119 2HD ARG 119 20.220 13.749 -21.242 878 2HD ARG 119 1HD ARG 119 19.336 13.421 -19.753 879 HE ARG 119 HE ARG 119 21.153 12.087 -19.091 880 1HH1 ARG 119 2HH1 ARG 119 21.901 13.261 -22.116 881 2HH1 ARG 119 1HH1 ARG 119 22.932 11.949 -22.579 882 1HH2 ARG 119 1HH2 ARG 119 22.092 9.977 -19.853 883 2HH2 ARG 119 2HH2 ARG 119 23.040 10.091 -21.299 884 H GLY 120 H GLY 120 15.395 11.216 -22.221 885 1HA GLY 120 2HA GLY 120 16.070 8.972 -23.984 886 2HA GLY 120 1HA GLY 120 14.476 8.851 -23.238 887 H ARG 121 H ARG 121 15.938 9.815 -25.994 888 HA ARG 121 HA ARG 121 14.195 12.181 -26.440 889 1HB ARG 121 2HB ARG 121 16.456 10.966 -28.053 890 2HB ARG 121 1HB ARG 121 15.479 12.322 -28.617 891 1HG ARG 121 2HG ARG 121 16.385 13.791 -27.092 892 2HG ARG 121 1HG ARG 121 16.664 12.532 -25.888 893 1HD ARG 121 2HD ARG 121 18.251 12.888 -28.448 894 2HD ARG 121 1HD ARG 121 18.797 13.353 -26.836 895 HE ARG 121 HE ARG 121 18.202 10.692 -26.516 896 1HH1 ARG 121 1HH2 ARG 121 18.669 10.333 -29.445 897 2HH1 ARG 121 2HH2 ARG 121 20.368 10.006 -29.509 898 1HH2 ARG 121 2HH1 ARG 121 20.990 11.203 -26.315 899 2HH2 ARG 121 1HH1 ARG 121 21.683 10.497 -27.737 900 H ARG 122 H ARG 122 12.443 12.083 -27.834 901 HA ARG 122 HA ARG 122 12.085 9.596 -29.431 902 1HB ARG 122 2HB ARG 122 10.861 9.527 -27.170 903 2HB ARG 122 1HB ARG 122 9.822 10.791 -27.828 904 1HG ARG 122 2HG ARG 122 8.728 8.713 -28.300 905 2HG ARG 122 1HG ARG 122 9.427 9.263 -29.824 906 1HD ARG 122 2HD ARG 122 11.512 7.837 -28.846 907 2HD ARG 122 1HD ARG 122 10.172 6.943 -28.128 908 HE ARG 122 HE ARG 122 9.330 7.087 -30.686 909 1HH1 ARG 122 2HH1 ARG 122 12.370 7.728 -31.117 910 2HH1 ARG 122 1HH1 ARG 122 12.920 6.173 -31.645 911 1HH2 ARG 122 1HH2 ARG 122 10.056 4.516 -30.605 912 2HH2 ARG 122 2HH2 ARG 122 11.608 4.354 -31.357 913 H ARG 123 H ARG 123 11.291 10.013 -31.448 914 HA ARG 123 HA ARG 123 9.883 12.589 -31.927 915 1HB ARG 123 2HB ARG 123 12.484 12.529 -32.490 916 2HB ARG 123 1HB ARG 123 11.914 11.696 -33.937 917 1HG ARG 123 2HG ARG 123 10.255 13.606 -34.235 918 2HG ARG 123 1HG ARG 123 11.146 14.460 -32.975 919 1HD ARG 123 2HD ARG 123 12.443 15.218 -34.676 920 2HD ARG 123 1HD ARG 123 13.172 13.613 -34.633 921 HE ARG 123 HE ARG 123 11.035 13.221 -36.294 922 1HH1 ARG 123 2HH1 ARG 123 13.856 15.165 -36.202 923 2HH1 ARG 123 1HH1 ARG 123 13.729 15.679 -37.851 924 1HH2 ARG 123 1HH2 ARG 123 10.701 14.076 -38.396 925 2HH2 ARG 123 2HH2 ARG 123 11.942 15.064 -39.093 926 H ARG 124 HN ARG 124 9.189 9.650 -31.823 927 HA ARG 124 HA ARG 124 7.695 9.607 -34.370 928 1HB ARG 124 2HB ARG 124 10.028 7.944 -33.843 929 2HB ARG 124 1HB ARG 124 8.589 6.967 -34.140 930 1HG ARG 124 2HG ARG 124 8.178 8.113 -36.241 931 2HG ARG 124 1HG ARG 124 9.496 9.242 -35.926 932 1HD ARG 124 2HD ARG 124 9.761 6.250 -36.338 933 2HD ARG 124 1HD ARG 124 10.267 7.509 -37.465 934 HE ARG 124 HE ARG 124 11.804 8.230 -35.461 935 1HH1 ARG 124 1HH1 ARG 124 11.217 5.175 -36.864 936 2HH1 ARG 124 2HH1 ARG 124 12.432 4.352 -35.943 937 1HH2 ARG 124 1HH2 ARG 124 13.208 7.118 -34.001 938 2HH2 ARG 124 2HH2 ARG 124 13.558 5.452 -34.322 Start of MODEL 7 1 1H MET 1 1H MET 1 8.890 1.166 -3.158 2 2H MET 1 2H MET 1 8.733 2.853 -3.033 3 3H MET 1 3H MET 1 9.693 2.174 -4.259 4 HA MET 1 HA MET 1 7.500 2.984 -5.046 5 1HB MET 1 2HB MET 1 6.987 0.882 -6.300 6 2HB MET 1 1HB MET 1 8.704 1.284 -6.315 7 1HG MET 1 2HG MET 1 9.272 -0.526 -5.048 8 2HG MET 1 1HG MET 1 7.827 -0.401 -4.045 9 1HE MET 1 1HE MET 1 7.683 -1.889 -8.393 10 2HE MET 1 2HE MET 1 9.104 -1.171 -7.640 11 3HE MET 1 3HE MET 1 7.653 -0.199 -7.871 12 H LYS 2 H LYS 2 5.183 2.378 -5.168 13 HA LYS 2 HA LYS 2 4.230 0.925 -2.738 14 1HB LYS 2 2HB LYS 2 3.824 3.724 -3.466 15 2HB LYS 2 1HB LYS 2 2.297 2.868 -3.248 16 1HG LYS 2 2HG LYS 2 3.782 1.937 -1.126 17 2HG LYS 2 1HG LYS 2 4.329 3.609 -1.254 18 1HD LYS 2 2HD LYS 2 1.528 3.682 -1.611 19 2HD LYS 2 1HD LYS 2 1.817 2.603 -0.245 20 1HE LYS 2 2HE LYS 2 2.498 4.301 1.088 21 2HE LYS 2 1HE LYS 2 3.503 4.999 -0.181 22 1HZ LYS 2 1HZ LYS 2 0.990 5.457 -1.068 23 2HZ LYS 2 2HZ LYS 2 1.963 6.588 -0.255 24 3HZ LYS 2 3HZ LYS 2 0.822 5.669 0.606 25 H ILE 3 H ILE 3 2.353 -0.307 -3.061 26 HA ILE 3 HA ILE 3 1.364 -0.403 -5.884 27 HB ILE 3 HB ILE 3 1.692 -2.626 -3.852 28 1HG1 ILE 3 2HG1 ILE 3 2.743 -2.934 -6.576 29 2HG1 ILE 3 1HG1 ILE 3 3.467 -1.582 -5.703 30 1HG2 ILE 3 1HG2 ILE 3 0.870 -3.996 -5.921 31 2HG2 ILE 3 2HG2 ILE 3 0.157 -2.467 -6.436 32 3HG2 ILE 3 3HG2 ILE 3 -0.327 -3.195 -4.902 33 1HD1 ILE 3 1HD1 ILE 3 4.821 -3.431 -5.116 34 2HD1 ILE 3 2HD1 ILE 3 3.429 -4.501 -4.940 35 3HD1 ILE 3 3HD1 ILE 3 3.732 -3.244 -3.741 36 H ALA 4 H ALA 4 -0.543 0.734 -5.786 37 HA ALA 4 HA ALA 4 -2.401 0.136 -3.528 38 1HB ALA 4 1HB ALA 4 -1.697 2.550 -4.104 39 2HB ALA 4 2HB ALA 4 -3.425 2.240 -3.929 40 3HB ALA 4 3HB ALA 4 -2.710 2.372 -5.536 41 H ILE 5 H ILE 5 -3.916 -1.368 -4.035 42 HA ILE 5 HA ILE 5 -4.648 -1.773 -6.879 43 HB ILE 5 HB ILE 5 -5.564 -3.367 -4.471 44 1HG1 ILE 5 2HG1 ILE 5 -3.614 -4.837 -5.802 45 2HG1 ILE 5 1HG1 ILE 5 -2.949 -3.203 -5.779 46 1HG2 ILE 5 1HG2 ILE 5 -5.191 -4.783 -6.970 47 2HG2 ILE 5 2HG2 ILE 5 -6.273 -3.408 -7.196 48 3HG2 ILE 5 3HG2 ILE 5 -6.647 -4.634 -5.986 49 1HD1 ILE 5 1HD1 ILE 5 -2.227 -3.881 -3.705 50 2HD1 ILE 5 2HD1 ILE 5 -3.543 -5.039 -3.510 51 3HD1 ILE 5 3HD1 ILE 5 -3.834 -3.319 -3.244 52 H ALA 6 H ALA 6 -6.421 -0.759 -7.661 53 HA ALA 6 HA ALA 6 -8.205 0.782 -6.051 54 1HB ALA 6 1HB ALA 6 -8.896 -0.366 -8.761 55 2HB ALA 6 2HB ALA 6 -7.773 0.981 -8.572 56 3HB ALA 6 3HB ALA 6 -9.449 1.151 -8.050 57 H SER 7 H SER 7 -10.392 0.346 -5.439 58 HA SER 7 HA SER 7 -12.063 -1.019 -4.517 59 1HB SER 7 2HB SER 7 -12.165 -3.230 -6.209 60 2HB SER 7 1HB SER 7 -13.086 -1.741 -6.395 61 HG SER 7 HG SER 7 -11.984 -1.911 -8.259 62 H SER 8 H SER 8 -12.473 -3.336 -3.691 63 HA SER 8 HA SER 8 -10.647 -5.390 -3.470 64 1HB SER 8 2HB SER 8 -9.674 -4.549 -1.093 65 2HB SER 8 1HB SER 8 -8.821 -4.303 -2.613 66 HG SER 8 HG SER 8 -10.382 -2.505 -1.108 67 H GLY 9 H GLY 9 -12.721 -3.226 -1.596 68 1HA GLY 9 2HA GLY 9 -14.598 -3.786 -0.278 69 2HA GLY 9 1HA GLY 9 -14.343 -5.477 -0.711 70 H THR 10 H THR 10 -11.485 -4.088 0.420 71 HA THR 10 HA THR 10 -10.295 -4.349 2.425 72 HB THR 10 HB THR 10 -12.840 -4.634 3.971 73 HG1 THR 10 HG1 THR 10 -13.600 -3.003 2.879 74 1HG2 THR 10 1HG2 THR 10 -10.564 -2.713 4.412 75 2HG2 THR 10 2HG2 THR 10 -10.414 -4.410 4.869 76 3HG2 THR 10 3HG2 THR 10 -11.668 -3.408 5.599 77 H ASP 11 H ASP 11 -11.677 -6.693 0.887 78 HA ASP 11 HA ASP 11 -10.572 -8.795 2.508 79 1HB ASP 11 2HB ASP 11 -12.915 -8.065 3.570 80 2HB ASP 11 1HB ASP 11 -13.534 -9.130 2.306 81 H LEU 12 H LEU 12 -11.979 -10.983 1.583 82 HA LEU 12 HA LEU 12 -11.234 -10.970 -1.245 83 1HB LEU 12 2HB LEU 12 -12.619 -13.154 0.338 84 2HB LEU 12 1HB LEU 12 -11.758 -13.338 -1.191 85 HG LEU 12 HG LEU 12 -10.189 -12.073 0.970 86 1HD1 LEU 12 1HD1 LEU 12 -11.560 -13.848 2.153 87 2HD1 LEU 12 2HD1 LEU 12 -9.814 -14.095 2.222 88 3HD1 LEU 12 3HD1 LEU 12 -10.795 -15.038 1.099 89 1HD2 LEU 12 1HD2 LEU 12 -9.815 -14.133 -1.197 90 2HD2 LEU 12 2HD2 LEU 12 -8.602 -13.941 0.068 91 3HD2 LEU 12 3HD2 LEU 12 -8.993 -12.586 -0.990 92 H GLY 13 H GLY 13 -13.944 -9.923 0.355 93 1HA GLY 13 2HA GLY 13 -16.103 -11.013 -1.142 94 2HA GLY 13 1HA GLY 13 -16.121 -9.428 -0.369 95 H SER 14 H SER 14 -14.544 -7.818 -1.646 96 HA SER 14 HA SER 14 -15.679 -7.614 -4.323 97 1HB SER 14 2HB SER 14 -14.102 -5.913 -2.513 98 2HB SER 14 1HB SER 14 -13.690 -5.715 -4.214 99 HG SER 14 HG SER 14 -15.548 -4.466 -3.216 100 H GLU 15 H GLU 15 -14.790 -9.593 -5.254 101 HA GLU 15 HA GLU 15 -11.928 -9.985 -5.480 102 1HB GLU 15 2HB GLU 15 -14.199 -11.139 -7.133 103 2HB GLU 15 1HB GLU 15 -12.533 -11.720 -7.134 104 1HG GLU 15 2HG GLU 15 -12.788 -12.817 -5.163 105 2HG GLU 15 1HG GLU 15 -13.719 -11.500 -4.449 106 H VAL 16 H VAL 16 -11.291 -7.845 -6.259 107 HA VAL 16 HA VAL 16 -10.626 -6.394 -7.980 108 HB VAL 16 HB VAL 16 -11.556 -8.613 -9.825 109 1HG1 VAL 16 1HG1 VAL 16 -10.747 -6.087 -10.454 110 2HG1 VAL 16 2HG1 VAL 16 -10.493 -7.484 -11.499 111 3HG1 VAL 16 3HG1 VAL 16 -9.198 -6.930 -10.437 112 1HG2 VAL 16 1HG2 VAL 16 -9.239 -9.440 -9.697 113 2HG2 VAL 16 2HG2 VAL 16 -9.987 -9.459 -8.100 114 3HG2 VAL 16 3HG2 VAL 16 -8.846 -8.183 -8.524 115 H SER 17 H SER 17 -12.817 -5.446 -7.044 116 HA SER 17 HA SER 17 -15.280 -5.553 -8.297 117 1HB SER 17 2HB SER 17 -14.544 -4.025 -6.373 118 2HB SER 17 1HB SER 17 -13.983 -2.908 -7.613 119 HG SER 17 HG SER 17 -16.552 -3.966 -7.867 120 H ARG 18 H ARG 18 -16.246 -4.207 -10.015 121 HA ARG 18 HA ARG 18 -14.342 -3.868 -12.265 122 1HB ARG 18 2HB ARG 18 -17.369 -3.699 -12.301 123 2HB ARG 18 1HB ARG 18 -16.297 -3.865 -13.692 124 1HG ARG 18 2HG ARG 18 -15.558 -6.066 -12.877 125 2HG ARG 18 1HG ARG 18 -16.605 -5.902 -11.467 126 1HD ARG 18 2HD ARG 18 -17.570 -7.276 -13.378 127 2HD ARG 18 1HD ARG 18 -18.583 -5.944 -12.822 128 HE ARG 18 HE ARG 18 -18.405 -5.095 -15.002 129 1HH1 ARG 18 2HH1 ARG 18 -16.036 -7.491 -14.547 130 2HH1 ARG 18 1HH1 ARG 18 -15.043 -6.982 -15.871 131 1HH2 ARG 18 1HH2 ARG 18 -16.936 -4.157 -16.551 132 2HH2 ARG 18 2HH2 ARG 18 -15.552 -5.094 -17.005 133 H PHE 19 H PHE 19 -14.495 -1.934 -10.024 134 HA PHE 19 HA PHE 19 -15.265 0.469 -11.630 135 1HB PHE 19 2HB PHE 19 -15.677 -0.057 -8.677 136 2HB PHE 19 1HB PHE 19 -15.799 1.550 -9.394 137 HD1 PHE 19 HD1 PHE 19 -17.239 -1.871 -9.394 138 HD2 PHE 19 HD2 PHE 19 -17.691 2.188 -10.732 139 HE1 PHE 19 HE1 PHE 19 -19.563 -2.366 -10.108 140 HE2 PHE 19 HE2 PHE 19 -20.016 1.693 -11.446 141 HZ PHE 19 HZ PHE 19 -20.952 -0.584 -11.134 142 H PHE 20 H PHE 20 -13.980 2.408 -11.082 143 HA PHE 20 HA PHE 20 -11.386 1.764 -9.753 144 1HB PHE 20 2HB PHE 20 -11.092 1.646 -12.207 145 2HB PHE 20 1HB PHE 20 -11.728 3.283 -12.356 146 HD1 PHE 20 HD1 PHE 20 -9.669 2.368 -9.456 147 HD2 PHE 20 HD2 PHE 20 -9.638 4.082 -13.399 148 HE1 PHE 20 HE1 PHE 20 -7.404 3.287 -9.040 149 HE2 PHE 20 HE2 PHE 20 -7.372 5.000 -12.981 150 HZ PHE 20 HZ PHE 20 -6.254 4.603 -10.801 151 H GLY 21 H GLY 21 -13.767 4.203 -10.681 152 1HA GLY 21 2HA GLY 21 -12.362 6.196 -8.973 153 2HA GLY 21 1HA GLY 21 -13.635 6.571 -10.135 154 H ARG 22 H ARG 22 -15.450 4.479 -9.315 155 HA ARG 22 HA ARG 22 -16.568 5.811 -6.947 156 1HB ARG 22 2HB ARG 22 -17.585 4.260 -9.140 157 2HB ARG 22 1HB ARG 22 -18.080 3.501 -7.627 158 1HG ARG 22 2HG ARG 22 -19.367 5.292 -6.986 159 2HG ARG 22 1HG ARG 22 -18.313 6.465 -7.775 160 1HD ARG 22 2HD ARG 22 -20.289 4.614 -9.141 161 2HD ARG 22 1HD ARG 22 -20.427 6.365 -8.982 162 HE ARG 22 HE ARG 22 -18.143 6.290 -10.328 163 1HH1 ARG 22 2HH1 ARG 22 -21.257 5.230 -11.040 164 2HH1 ARG 22 1HH1 ARG 22 -20.836 4.446 -12.526 165 1HH2 ARG 22 1HH2 ARG 22 -17.421 4.847 -12.077 166 2HH2 ARG 22 2HH2 ARG 22 -18.664 4.230 -13.114 167 H ALA 23 H ALA 23 -14.851 2.870 -7.703 168 HA ALA 23 HA ALA 23 -15.501 1.098 -5.701 169 1HB ALA 23 1HB ALA 23 -13.492 1.159 -7.439 170 2HB ALA 23 2HB ALA 23 -13.413 0.148 -5.997 171 3HB ALA 23 3HB ALA 23 -12.592 1.708 -6.025 172 HA PRO 24 HA PRO 24 -14.774 3.879 -2.200 173 1HB PRO 24 2HB PRO 24 -16.580 2.606 -0.566 174 2HB PRO 24 1HB PRO 24 -17.038 3.842 -1.750 175 1HG PRO 24 2HG PRO 24 -17.440 0.893 -1.870 176 2HG PRO 24 1HG PRO 24 -18.356 2.183 -2.664 177 1HD PRO 24 2HD PRO 24 -16.388 0.530 -3.876 178 2HD PRO 24 1HD PRO 24 -17.113 1.992 -4.577 179 H TYR 25 H TYR 25 -12.994 1.667 -2.822 180 HA TYR 25 HA TYR 25 -12.194 0.942 -0.102 181 1HB TYR 25 2HB TYR 25 -13.109 -1.141 -2.103 182 2HB TYR 25 1HB TYR 25 -12.104 -1.525 -0.705 183 HD1 TYR 25 HD1 TYR 25 -12.971 -1.219 1.596 184 HD2 TYR 25 HD2 TYR 25 -15.447 -0.571 -1.856 185 HE1 TYR 25 HE1 TYR 25 -14.993 -1.294 3.032 186 HE2 TYR 25 HE2 TYR 25 -17.469 -0.646 -0.420 187 HH TYR 25 HH TYR 25 -17.259 -0.636 3.049 188 H PHE 26 H PHE 26 -10.567 2.457 -1.273 189 HA PHE 26 HA PHE 26 -8.859 1.145 -3.266 190 1HB PHE 26 2HB PHE 26 -9.399 3.774 -2.669 191 2HB PHE 26 1HB PHE 26 -7.816 3.551 -1.922 192 HD1 PHE 26 HD1 PHE 26 -5.854 3.467 -3.237 193 HD2 PHE 26 HD2 PHE 26 -9.700 3.042 -5.108 194 HE1 PHE 26 HE1 PHE 26 -4.780 3.580 -5.470 195 HE2 PHE 26 HE2 PHE 26 -8.625 3.155 -7.342 196 HZ PHE 26 HZ PHE 26 -6.165 3.424 -7.523 197 H MET 27 H MET 27 -7.386 -0.347 -2.632 198 HA MET 27 HA MET 27 -6.381 -0.293 0.156 199 1HB MET 27 2HB MET 27 -7.085 -2.360 -1.577 200 2HB MET 27 1HB MET 27 -5.321 -2.402 -1.560 201 1HG MET 27 2HG MET 27 -5.423 -2.331 0.959 202 2HG MET 27 1HG MET 27 -7.172 -2.522 0.835 203 1HE MET 27 1HE MET 27 -8.151 -4.175 1.218 204 2HE MET 27 2HE MET 27 -7.158 -5.305 2.137 205 3HE MET 27 3HE MET 27 -7.956 -5.844 0.662 206 H ILE 28 H ILE 28 -4.326 0.355 0.650 207 HA ILE 28 HA ILE 28 -2.401 0.703 -1.612 208 HB ILE 28 HB ILE 28 -3.432 2.880 -0.814 209 1HG1 ILE 28 2HG1 ILE 28 -0.543 2.986 -0.080 210 2HG1 ILE 28 1HG1 ILE 28 -0.938 2.364 -1.683 211 1HG2 ILE 28 1HG2 ILE 28 -1.682 2.773 1.588 212 2HG2 ILE 28 2HG2 ILE 28 -3.181 1.846 1.670 213 3HG2 ILE 28 3HG2 ILE 28 -3.233 3.581 1.361 214 1HD1 ILE 28 1HD1 ILE 28 -0.906 5.089 -0.796 215 2HD1 ILE 28 2HD1 ILE 28 -2.560 4.664 -1.239 216 3HD1 ILE 28 3HD1 ILE 28 -1.255 4.467 -2.409 217 H VAL 29 H VAL 29 -0.703 -0.632 -1.227 218 HA VAL 29 HA VAL 29 0.193 -0.960 1.608 219 HB VAL 29 HB VAL 29 0.149 -3.035 -0.604 220 1HG1 VAL 29 1HG1 VAL 29 1.401 -4.446 0.740 221 2HG1 VAL 29 2HG1 VAL 29 0.911 -3.636 2.227 222 3HG1 VAL 29 3HG1 VAL 29 2.120 -2.897 1.178 223 1HG2 VAL 29 1HG2 VAL 29 -1.535 -2.432 1.780 224 2HG2 VAL 29 2HG2 VAL 29 -1.186 -4.131 1.463 225 3HG2 VAL 29 3HG2 VAL 29 -1.992 -3.153 0.237 226 H GLU 30 H GLU 30 2.307 -0.426 1.928 227 HA GLU 30 HA GLU 30 3.950 0.162 -0.480 228 1HB GLU 30 2HB GLU 30 3.608 1.870 1.393 229 2HB GLU 30 1HB GLU 30 4.623 0.830 2.392 230 1HG GLU 30 2HG GLU 30 6.373 0.956 0.556 231 2HG GLU 30 1HG GLU 30 5.385 2.212 -0.192 232 H MET 31 H MET 31 4.848 -1.807 -1.081 233 HA MET 31 HA MET 31 5.957 -3.629 0.930 234 1HB MET 31 2HB MET 31 4.934 -4.082 -1.516 235 2HB MET 31 1HB MET 31 6.637 -3.934 -1.955 236 1HG MET 31 2HG MET 31 6.811 -6.109 -1.353 237 2HG MET 31 1HG MET 31 6.732 -5.519 0.307 238 1HE MET 31 1HE MET 31 4.784 -6.349 -2.797 239 2HE MET 31 2HE MET 31 3.477 -7.404 -2.265 240 3HE MET 31 3HE MET 31 5.144 -7.965 -2.172 241 H LYS 32 H LYS 32 8.089 -3.717 1.554 242 HA LYS 32 HA LYS 32 9.904 -1.679 0.376 243 1HB LYS 32 2HB LYS 32 9.546 -2.870 3.026 244 2HB LYS 32 1HB LYS 32 11.234 -2.846 2.514 245 1HG LYS 32 2HG LYS 32 10.136 -0.347 1.759 246 2HG LYS 32 1HG LYS 32 9.598 -0.650 3.411 247 1HD LYS 32 2HD LYS 32 12.174 -1.430 3.637 248 2HD LYS 32 1HD LYS 32 12.347 -0.220 2.365 249 1HE LYS 32 2HE LYS 32 10.968 1.337 3.858 250 2HE LYS 32 1HE LYS 32 11.222 0.159 5.146 251 1HZ LYS 32 1HZ LYS 32 13.614 0.873 3.707 252 2HZ LYS 32 2HZ LYS 32 13.346 0.754 5.380 253 3HZ LYS 32 3HZ LYS 32 12.908 2.167 4.543 254 H LYS 33 H LYS 33 10.436 -4.958 1.724 255 HA LYS 33 HA LYS 33 12.020 -5.567 -0.737 256 1HB LYS 33 2HB LYS 33 12.913 -5.454 2.038 257 2HB LYS 33 1HB LYS 33 13.206 -7.037 1.317 258 1HG LYS 33 2HG LYS 33 14.037 -5.521 -0.728 259 2HG LYS 33 1HG LYS 33 14.343 -4.379 0.581 260 1HD LYS 33 2HD LYS 33 16.343 -5.528 0.628 261 2HD LYS 33 1HD LYS 33 15.407 -6.550 1.722 262 1HE LYS 33 2HE LYS 33 14.720 -7.628 -0.685 263 2HE LYS 33 1HE LYS 33 16.372 -7.109 -1.019 264 1HZ LYS 33 1HZ LYS 33 16.964 -8.235 1.145 265 2HZ LYS 33 2HZ LYS 33 16.550 -9.259 -0.146 266 3HZ LYS 33 3HZ LYS 33 15.428 -8.954 1.092 267 H GLY 34 H GLY 34 10.032 -6.691 -1.408 268 1HA GLY 34 2HA GLY 34 8.668 -8.594 -1.596 269 2HA GLY 34 1HA GLY 34 10.088 -9.473 -1.026 270 H ASN 35 H ASN 35 8.580 -7.003 0.948 271 HA ASN 35 HA ASN 35 7.134 -9.042 2.535 272 1HB ASN 35 2HB ASN 35 9.724 -8.037 3.262 273 2HB ASN 35 1HB ASN 35 8.536 -7.433 4.417 274 1HD2 ASN 35 1HD2 ASN 35 10.508 -9.437 5.110 275 2HD2 ASN 35 2HD2 ASN 35 9.681 -10.879 5.456 276 H ILE 36 H ILE 36 5.141 -8.085 2.526 277 HA ILE 36 HA ILE 36 4.508 -5.389 2.189 278 HB ILE 36 HB ILE 36 3.058 -7.383 3.959 279 1HG1 ILE 36 2HG1 ILE 36 2.464 -6.661 1.082 280 2HG1 ILE 36 1HG1 ILE 36 3.539 -7.995 1.507 281 1HG2 ILE 36 1HG2 ILE 36 1.211 -5.686 2.776 282 2HG2 ILE 36 2HG2 ILE 36 2.540 -4.603 3.192 283 3HG2 ILE 36 3HG2 ILE 36 1.774 -5.581 4.444 284 1HD1 ILE 36 1HD1 ILE 36 1.750 -9.315 1.835 285 2HD1 ILE 36 2HD1 ILE 36 0.673 -7.969 1.462 286 3HD1 ILE 36 3HD1 ILE 36 1.206 -8.238 3.121 287 H GLU 37 H GLU 37 5.763 -3.904 3.322 288 HA GLU 37 HA GLU 37 5.961 -4.188 6.270 289 1HB GLU 37 2HB GLU 37 7.435 -2.657 4.173 290 2HB GLU 37 1HB GLU 37 7.363 -1.958 5.791 291 1HG GLU 37 2HG GLU 37 8.256 -4.040 6.747 292 2HG GLU 37 1HG GLU 37 8.303 -4.768 5.141 293 H SER 38 H SER 38 3.643 -3.105 4.343 294 HA SER 38 HA SER 38 2.549 -1.302 6.319 295 1HB SER 38 2HB SER 38 4.201 -0.160 4.238 296 2HB SER 38 1HB SER 38 2.541 0.403 4.073 297 HG SER 38 HG SER 38 2.636 1.304 6.031 298 H SER 39 H SER 39 0.400 -1.708 6.187 299 HA SER 39 HA SER 39 -0.838 -1.988 3.497 300 1HB SER 39 2HB SER 39 -1.734 -3.879 5.630 301 2HB SER 39 1HB SER 39 -1.732 -4.084 3.880 302 HG SER 39 HG SER 39 0.460 -4.199 5.677 303 H GLU 40 H GLU 40 -2.233 -0.275 3.565 304 HA GLU 40 HA GLU 40 -4.079 -0.127 5.910 305 1HB GLU 40 2HB GLU 40 -2.321 1.667 6.014 306 2HB GLU 40 1HB GLU 40 -2.912 2.271 4.466 307 1HG GLU 40 2HG GLU 40 -4.815 3.147 5.380 308 2HG GLU 40 1HG GLU 40 -4.976 1.836 6.551 309 H VAL 41 H VAL 41 -6.223 0.200 5.347 310 HA VAL 41 HA VAL 41 -6.806 0.229 2.433 311 HB VAL 41 HB VAL 41 -8.754 -0.238 4.702 312 1HG1 VAL 41 1HG1 VAL 41 -9.383 -1.717 2.388 313 2HG1 VAL 41 2HG1 VAL 41 -8.910 -0.119 1.813 314 3HG1 VAL 41 3HG1 VAL 41 -10.215 -0.281 2.988 315 1HG2 VAL 41 1HG2 VAL 41 -8.376 -2.692 4.091 316 2HG2 VAL 41 2HG2 VAL 41 -7.068 -1.917 4.986 317 3HG2 VAL 41 3HG2 VAL 41 -6.923 -2.161 3.246 318 H ILE 42 H ILE 42 -8.436 1.697 1.606 319 HA ILE 42 HA ILE 42 -8.980 4.052 3.360 320 HB ILE 42 HB ILE 42 -8.078 4.118 0.463 321 1HG1 ILE 42 2HG1 ILE 42 -6.612 5.622 2.535 322 2HG1 ILE 42 1HG1 ILE 42 -6.531 3.869 2.723 323 1HG2 ILE 42 1HG2 ILE 42 -7.997 6.690 1.402 324 2HG2 ILE 42 2HG2 ILE 42 -9.431 6.069 2.221 325 3HG2 ILE 42 3HG2 ILE 42 -9.330 6.020 0.461 326 1HD1 ILE 42 1HD1 ILE 42 -5.698 3.604 0.466 327 2HD1 ILE 42 2HD1 ILE 42 -4.706 4.819 1.271 328 3HD1 ILE 42 3HD1 ILE 42 -5.950 5.315 0.123 329 H GLU 43 H GLU 43 -11.085 4.744 3.251 330 HA GLU 43 HA GLU 43 -12.909 3.235 1.480 331 1HB GLU 43 2HB GLU 43 -13.504 5.259 3.661 332 2HB GLU 43 1HB GLU 43 -14.696 4.259 2.831 333 1HG GLU 43 2HG GLU 43 -13.891 2.270 3.808 334 2HG GLU 43 1HG GLU 43 -12.350 3.007 4.249 335 H ASN 44 H ASN 44 -12.302 4.263 -0.537 336 HA ASN 44 HA ASN 44 -12.084 6.928 -1.190 337 1HB ASN 44 2HB ASN 44 -12.422 4.627 -2.639 338 2HB ASN 44 1HB ASN 44 -13.915 5.493 -3.004 339 1HD2 ASN 44 1HD2 ASN 44 -10.353 5.795 -3.123 340 2HD2 ASN 44 2HD2 ASN 44 -10.336 7.018 -4.300 341 HA PRO 45 HA PRO 45 -16.139 8.195 0.368 342 1HB PRO 45 2HB PRO 45 -15.353 10.782 0.869 343 2HB PRO 45 1HB PRO 45 -15.090 9.442 1.999 344 1HG PRO 45 2HG PRO 45 -13.119 10.833 0.251 345 2HG PRO 45 1HG PRO 45 -12.853 9.966 1.772 346 1HD PRO 45 2HD PRO 45 -12.320 8.972 -0.830 347 2HD PRO 45 1HD PRO 45 -12.343 8.024 0.671 348 H SER 46 H SER 46 -17.099 10.706 -0.187 349 HA SER 46 HA SER 46 -18.103 11.939 -1.911 350 1HB SER 46 2HB SER 46 -15.703 11.419 -3.635 351 2HB SER 46 1HB SER 46 -16.638 12.900 -3.446 352 HG SER 46 HG SER 46 -15.712 13.193 -1.436 353 H ALA 47 H ALA 47 -18.611 9.091 -1.811 354 HA ALA 47 HA ALA 47 -18.492 8.041 -4.527 355 1HB ALA 47 1HB ALA 47 -19.069 6.094 -3.534 356 2HB ALA 47 2HB ALA 47 -20.496 6.816 -2.791 357 3HB ALA 47 3HB ALA 47 -18.926 6.952 -2.000 358 H SER 48 H SER 48 -20.979 9.556 -2.490 359 HA SER 48 HA SER 48 -22.999 9.322 -4.606 360 1HB SER 48 2HB SER 48 -23.314 11.144 -2.248 361 2HB SER 48 1HB SER 48 -24.517 10.134 -3.045 362 HG SER 48 HG SER 48 -23.006 8.362 -2.223 363 H ALA 49 H ALA 49 -20.683 11.683 -3.465 364 HA ALA 49 HA ALA 49 -21.898 13.860 -5.032 365 1HB ALA 49 1HB ALA 49 -19.150 13.951 -3.804 366 2HB ALA 49 2HB ALA 49 -20.583 14.059 -2.783 367 3HB ALA 49 3HB ALA 49 -20.300 15.267 -4.038 368 H SER 50 H SER 50 -20.867 14.818 -6.875 369 HA SER 50 HA SER 50 -18.810 13.071 -8.169 370 1HB SER 50 2HB SER 50 -20.302 14.547 -10.123 371 2HB SER 50 1HB SER 50 -20.184 12.800 -9.928 372 HG SER 50 HG SER 50 -21.899 12.866 -8.513 373 H GLY 51 H GLY 51 -16.998 14.133 -8.861 374 1HA GLY 51 2HA GLY 51 -17.122 17.058 -9.326 375 2HA GLY 51 1HA GLY 51 -16.000 16.484 -8.090 376 H GLY 52 H GLY 52 -16.704 14.634 -10.990 377 1HA GLY 52 2HA GLY 52 -14.665 15.561 -12.702 378 2HA GLY 52 1HA GLY 52 -13.925 14.357 -11.646 379 H ALA 53 H ALA 53 -14.841 12.174 -11.667 380 HA ALA 53 HA ALA 53 -16.928 11.209 -13.235 381 1HB ALA 53 1HB ALA 53 -14.884 10.502 -15.090 382 2HB ALA 53 2HB ALA 53 -14.823 12.252 -14.881 383 3HB ALA 53 3HB ALA 53 -16.323 11.477 -15.387 384 H GLY 54 H GLY 54 -13.594 10.750 -12.208 385 1HA GLY 54 2HA GLY 54 -13.565 8.675 -10.616 386 2HA GLY 54 1HA GLY 54 -14.052 7.808 -12.074 387 H ILE 55 H ILE 55 -12.497 8.940 -14.023 388 HA ILE 55 HA ILE 55 -9.974 7.671 -13.654 389 HB ILE 55 HB ILE 55 -10.682 9.883 -15.606 390 1HG1 ILE 55 2HG1 ILE 55 -12.239 7.959 -15.716 391 2HG1 ILE 55 1HG1 ILE 55 -11.213 8.033 -17.149 392 1HG2 ILE 55 1HG2 ILE 55 -8.873 8.003 -16.694 393 2HG2 ILE 55 2HG2 ILE 55 -8.264 8.390 -15.085 394 3HG2 ILE 55 3HG2 ILE 55 -8.537 9.679 -16.258 395 1HD1 ILE 55 1HD1 ILE 55 -10.847 5.829 -16.666 396 2HD1 ILE 55 2HD1 ILE 55 -11.267 6.028 -14.964 397 3HD1 ILE 55 3HD1 ILE 55 -9.665 6.495 -15.537 398 H ARG 56 H ARG 56 -11.118 10.679 -12.515 399 HA ARG 56 HA ARG 56 -8.684 12.193 -12.529 400 1HB ARG 56 2HB ARG 56 -10.964 13.132 -12.063 401 2HB ARG 56 1HB ARG 56 -10.928 12.324 -10.495 402 1HG ARG 56 2HG ARG 56 -9.907 14.176 -9.705 403 2HG ARG 56 1HG ARG 56 -8.485 13.656 -10.609 404 1HD ARG 56 2HD ARG 56 -10.541 15.713 -11.331 405 2HD ARG 56 1HD ARG 56 -8.786 15.786 -11.485 406 HE ARG 56 HE ARG 56 -9.236 13.943 -13.330 407 1HH1 ARG 56 1HH2 ARG 56 -12.217 14.456 -13.143 408 2HH1 ARG 56 2HH2 ARG 56 -12.453 15.583 -14.437 409 1HH2 ARG 56 2HH1 ARG 56 -9.084 16.351 -14.734 410 2HH2 ARG 56 1HH1 ARG 56 -10.679 16.658 -15.336 411 H THR 57 H THR 57 -10.022 9.829 -10.252 412 HA THR 57 HA THR 57 -8.428 10.133 -8.018 413 HB THR 57 HB THR 57 -9.241 7.595 -9.453 414 HG1 THR 57 HG1 THR 57 -10.141 8.962 -7.138 415 1HG2 THR 57 1HG2 THR 57 -7.198 7.206 -8.084 416 2HG2 THR 57 2HG2 THR 57 -8.611 6.371 -7.436 417 3HG2 THR 57 3HG2 THR 57 -8.043 7.861 -6.681 418 H ALA 58 H ALA 58 -7.432 8.889 -11.169 419 HA ALA 58 HA ALA 58 -4.948 7.756 -10.541 420 1HB ALA 58 1HB ALA 58 -5.837 9.385 -12.928 421 2HB ALA 58 2HB ALA 58 -5.684 7.633 -12.805 422 3HB ALA 58 3HB ALA 58 -4.240 8.644 -12.841 423 H GLN 59 H GLN 59 -5.579 11.195 -11.329 424 HA GLN 59 HA GLN 59 -2.959 12.154 -10.940 425 1HB GLN 59 2HB GLN 59 -5.390 13.302 -11.512 426 2HB GLN 59 1HB GLN 59 -5.062 13.931 -9.897 427 1HG GLN 59 2HG GLN 59 -2.996 14.896 -10.575 428 2HG GLN 59 1HG GLN 59 -2.980 13.985 -12.086 429 1HE2 GLN 59 1HE2 GLN 59 -2.773 16.212 -13.120 430 2HE2 GLN 59 2HE2 GLN 59 -4.187 17.114 -13.380 431 H ILE 60 H ILE 60 -5.456 11.402 -8.549 432 HA ILE 60 HA ILE 60 -4.086 12.613 -6.318 433 HB ILE 60 HB ILE 60 -6.219 10.477 -6.512 434 1HG1 ILE 60 2HG1 ILE 60 -6.222 13.372 -5.596 435 2HG1 ILE 60 1HG1 ILE 60 -6.884 12.770 -7.116 436 1HG2 ILE 60 1HG2 ILE 60 -5.063 9.978 -4.475 437 2HG2 ILE 60 2HG2 ILE 60 -6.473 10.931 -4.012 438 3HG2 ILE 60 3HG2 ILE 60 -4.880 11.687 -4.082 439 1HD1 ILE 60 1HD1 ILE 60 -8.013 11.178 -5.061 440 2HD1 ILE 60 2HD1 ILE 60 -8.833 12.371 -6.068 441 3HD1 ILE 60 3HD1 ILE 60 -8.133 12.854 -4.524 442 H ILE 61 H ILE 61 -4.566 9.121 -6.972 443 HA ILE 61 HA ILE 61 -2.640 8.163 -5.174 444 HB ILE 61 HB ILE 61 -2.473 6.177 -6.731 445 1HG1 ILE 61 2HG1 ILE 61 -4.389 7.852 -8.386 446 2HG1 ILE 61 1HG1 ILE 61 -2.725 7.477 -8.835 447 1HG2 ILE 61 1HG2 ILE 61 -4.347 5.475 -5.698 448 2HG2 ILE 61 2HG2 ILE 61 -5.345 6.514 -6.716 449 3HG2 ILE 61 3HG2 ILE 61 -4.654 7.146 -5.221 450 1HD1 ILE 61 1HD1 ILE 61 -5.126 5.802 -9.012 451 2HD1 ILE 61 2HD1 ILE 61 -3.769 4.987 -8.235 452 3HD1 ILE 61 3HD1 ILE 61 -3.587 5.651 -9.859 453 H ALA 62 H ALA 62 -2.159 9.831 -8.170 454 HA ALA 62 HA ALA 62 0.520 8.877 -8.700 455 1HB ALA 62 1HB ALA 62 -0.431 9.870 -10.578 456 2HB ALA 62 2HB ALA 62 0.569 11.193 -9.975 457 3HB ALA 62 3HB ALA 62 -1.162 11.174 -9.643 458 H ASN 63 H ASN 63 -0.754 11.820 -7.121 459 HA ASN 63 HA ASN 63 1.907 12.753 -6.400 460 1HB ASN 63 2HB ASN 63 -0.312 14.113 -6.700 461 2HB ASN 63 1HB ASN 63 -0.608 13.656 -5.023 462 1HD2 ASN 63 1HD2 ASN 63 -0.292 15.878 -4.267 463 2HD2 ASN 63 2HD2 ASN 63 1.252 16.583 -4.230 464 H ASN 64 H ASN 64 0.194 10.171 -5.295 465 HA ASN 64 HA ASN 64 0.880 10.565 -2.436 466 1HB ASN 64 2HB ASN 64 -1.080 9.013 -3.897 467 2HB ASN 64 1HB ASN 64 -0.151 7.973 -2.815 468 1HD2 ASN 64 1HD2 ASN 64 -2.473 10.612 -2.935 469 2HD2 ASN 64 2HD2 ASN 64 -2.742 10.702 -1.262 470 H GLY 65 H GLY 65 2.439 9.492 -5.162 471 1HA GLY 65 2HA GLY 65 4.672 8.590 -5.127 472 2HA GLY 65 1HA GLY 65 4.360 7.953 -3.511 473 H VAL 66 H VAL 66 1.638 7.056 -4.805 474 HA VAL 66 HA VAL 66 2.174 4.321 -5.056 475 HB VAL 66 HB VAL 66 0.084 5.844 -6.641 476 1HG1 VAL 66 1HG1 VAL 66 -0.296 3.117 -5.470 477 2HG1 VAL 66 2HG1 VAL 66 0.685 3.263 -6.929 478 3HG1 VAL 66 3HG1 VAL 66 -0.990 3.815 -6.934 479 1HG2 VAL 66 1HG2 VAL 66 -0.081 6.495 -4.310 480 2HG2 VAL 66 2HG2 VAL 66 0.082 4.819 -3.785 481 3HG2 VAL 66 3HG2 VAL 66 -1.369 5.336 -4.645 482 H LYS 67 H LYS 67 4.098 3.983 -6.248 483 HA LYS 67 HA LYS 67 4.304 4.917 -9.012 484 1HB LYS 67 2HB LYS 67 5.982 3.284 -7.148 485 2HB LYS 67 1HB LYS 67 6.260 3.108 -8.881 486 1HG LYS 67 2HG LYS 67 6.064 5.854 -7.676 487 2HG LYS 67 1HG LYS 67 7.575 4.951 -7.557 488 1HD LYS 67 2HD LYS 67 6.496 4.783 -10.242 489 2HD LYS 67 1HD LYS 67 6.691 6.466 -9.753 490 1HE LYS 67 2HE LYS 67 8.765 5.660 -10.777 491 2HE LYS 67 1HE LYS 67 9.028 5.970 -9.062 492 1HZ LYS 67 1HZ LYS 67 9.927 3.903 -9.250 493 2HZ LYS 67 2HZ LYS 67 8.875 3.419 -10.493 494 3HZ LYS 67 3HZ LYS 67 8.330 3.469 -8.884 495 H ALA 68 H ALA 68 2.628 2.447 -7.467 496 HA ALA 68 HA ALA 68 2.421 0.952 -10.049 497 1HB ALA 68 1HB ALA 68 1.892 -0.994 -8.220 498 2HB ALA 68 2HB ALA 68 3.101 -0.054 -7.346 499 3HB ALA 68 3HB ALA 68 3.486 -0.731 -8.929 500 H VAL 69 H VAL 69 0.336 0.973 -10.747 501 HA VAL 69 HA VAL 69 -1.807 1.259 -8.675 502 HB VAL 69 HB VAL 69 -1.806 2.333 -11.511 503 1HG1 VAL 69 1HG1 VAL 69 -4.056 1.929 -10.984 504 2HG1 VAL 69 2HG1 VAL 69 -3.836 3.596 -10.453 505 3HG1 VAL 69 3HG1 VAL 69 -3.819 2.285 -9.273 506 1HG2 VAL 69 1HG2 VAL 69 -1.202 3.538 -8.824 507 2HG2 VAL 69 2HG2 VAL 69 -1.938 4.537 -10.078 508 3HG2 VAL 69 3HG2 VAL 69 -0.371 3.778 -10.361 509 H ILE 70 H ILE 70 -2.672 -0.776 -8.520 510 HA ILE 70 HA ILE 70 -2.890 -2.502 -10.889 511 HB ILE 70 HB ILE 70 -4.149 -3.013 -8.189 512 1HG1 ILE 70 2HG1 ILE 70 -1.755 -2.327 -7.905 513 2HG1 ILE 70 1HG1 ILE 70 -2.047 -4.010 -7.461 514 1HG2 ILE 70 1HG2 ILE 70 -3.497 -4.547 -10.636 515 2HG2 ILE 70 2HG2 ILE 70 -4.771 -4.813 -9.447 516 3HG2 ILE 70 3HG2 ILE 70 -3.129 -5.362 -9.116 517 1HD1 ILE 70 1HD1 ILE 70 -1.399 -3.663 -10.302 518 2HD1 ILE 70 2HD1 ILE 70 -0.725 -4.791 -9.125 519 3HD1 ILE 70 3HD1 ILE 70 -0.103 -3.143 -9.226 520 H ALA 71 H ALA 71 -4.450 -1.792 -12.317 521 HA ALA 71 HA ALA 71 -7.224 -1.622 -11.266 522 1HB ALA 71 1HB ALA 71 -7.628 0.524 -11.977 523 2HB ALA 71 2HB ALA 71 -6.471 0.412 -13.304 524 3HB ALA 71 3HB ALA 71 -5.902 0.691 -11.659 525 H SER 72 H SER 72 -8.773 -1.436 -13.245 526 HA SER 72 HA SER 72 -7.679 -2.762 -15.660 527 1HB SER 72 2HB SER 72 -9.055 -4.651 -15.540 528 2HB SER 72 1HB SER 72 -8.592 -4.438 -13.854 529 HG SER 72 HG SER 72 -10.929 -4.704 -14.414 530 H SER 73 H SER 73 -8.628 -0.099 -15.285 531 HA SER 73 HA SER 73 -11.288 0.480 -15.794 532 1HB SER 73 2HB SER 73 -8.946 1.911 -15.924 533 2HB SER 73 1HB SER 73 -9.457 1.910 -17.609 534 HG SER 73 HG SER 73 -10.968 3.261 -17.083 535 HA PRO 74 HA PRO 74 -12.233 -1.421 -19.645 536 1HB PRO 74 2HB PRO 74 -14.433 0.100 -20.283 537 2HB PRO 74 1HB PRO 74 -14.449 -1.172 -19.048 538 1HG PRO 74 2HG PRO 74 -14.442 1.789 -18.693 539 2HG PRO 74 1HG PRO 74 -15.062 0.531 -17.611 540 1HD PRO 74 2HD PRO 74 -12.605 1.913 -17.319 541 2HD PRO 74 1HD PRO 74 -13.094 0.448 -16.441 542 H GLY 75 H GLY 75 -10.800 1.528 -19.390 543 1HA GLY 75 2HA GLY 75 -10.605 1.798 -22.340 544 2HA GLY 75 1HA GLY 75 -11.098 3.219 -21.417 545 HA PRO 76 HA PRO 76 -6.389 2.490 -21.270 546 1HB PRO 76 2HB PRO 76 -5.563 3.503 -23.687 547 2HB PRO 76 1HB PRO 76 -5.897 1.785 -23.409 548 1HG PRO 76 2HG PRO 76 -7.523 3.795 -24.890 549 2HG PRO 76 1HG PRO 76 -7.466 2.036 -25.085 550 1HD PRO 76 2HD PRO 76 -9.484 3.499 -23.731 551 2HD PRO 76 1HD PRO 76 -9.250 1.739 -23.679 552 H ASN 77 H ASN 77 -8.583 4.874 -21.306 553 HA ASN 77 HA ASN 77 -6.955 7.223 -21.792 554 1HB ASN 77 2HB ASN 77 -9.601 6.880 -21.678 555 2HB ASN 77 1HB ASN 77 -9.339 7.349 -19.998 556 1HD2 ASN 77 1HD2 ASN 77 -9.948 9.535 -19.930 557 2HD2 ASN 77 2HD2 ASN 77 -9.358 10.728 -20.984 558 H ALA 78 H ALA 78 -7.805 5.318 -18.929 559 HA ALA 78 HA ALA 78 -6.689 7.159 -17.014 560 1HB ALA 78 1HB ALA 78 -8.264 5.107 -16.642 561 2HB ALA 78 2HB ALA 78 -7.050 5.475 -15.419 562 3HB ALA 78 3HB ALA 78 -6.765 4.181 -16.582 563 H PHE 79 H PHE 79 -5.378 4.167 -18.485 564 HA PHE 79 HA PHE 79 -2.799 4.400 -17.257 565 1HB PHE 79 2HB PHE 79 -3.208 3.124 -19.952 566 2HB PHE 79 1HB PHE 79 -2.153 2.613 -18.632 567 HD1 PHE 79 HD1 PHE 79 -4.205 2.998 -16.385 568 HD2 PHE 79 HD2 PHE 79 -4.440 1.064 -20.216 569 HE1 PHE 79 HE1 PHE 79 -5.997 1.513 -15.525 570 HE2 PHE 79 HE2 PHE 79 -6.232 -0.421 -19.355 571 HZ PHE 79 HZ PHE 79 -7.010 -0.196 -17.009 572 H GLU 80 H GLU 80 -4.272 6.091 -19.870 573 HA GLU 80 HA GLU 80 -1.894 6.780 -21.340 574 1HB GLU 80 2HB GLU 80 -4.644 7.263 -21.590 575 2HB GLU 80 1HB GLU 80 -3.928 8.860 -21.371 576 1HG GLU 80 2HG GLU 80 -2.337 7.214 -23.171 577 2HG GLU 80 1HG GLU 80 -3.993 7.394 -23.750 578 H VAL 81 H VAL 81 -3.735 8.536 -18.821 579 HA VAL 81 HA VAL 81 -1.817 10.695 -18.677 580 HB VAL 81 HB VAL 81 -3.664 9.920 -16.424 581 1HG1 VAL 81 1HG1 VAL 81 -3.649 12.691 -17.163 582 2HG1 VAL 81 2HG1 VAL 81 -1.980 12.132 -17.054 583 3HG1 VAL 81 3HG1 VAL 81 -3.060 11.953 -15.672 584 1HG2 VAL 81 1HG2 VAL 81 -5.142 11.651 -17.949 585 2HG2 VAL 81 2HG2 VAL 81 -5.343 9.899 -17.968 586 3HG2 VAL 81 3HG2 VAL 81 -4.351 10.686 -19.196 587 H LEU 82 H LEU 82 -2.380 7.769 -16.713 588 HA LEU 82 HA LEU 82 -0.508 8.187 -14.678 589 1HB LEU 82 2HB LEU 82 -1.280 5.660 -16.152 590 2HB LEU 82 1HB LEU 82 -0.183 5.645 -14.770 591 HG LEU 82 HG LEU 82 -3.054 6.608 -14.812 592 1HD1 LEU 82 1HD1 LEU 82 -3.383 4.827 -13.169 593 2HD1 LEU 82 2HD1 LEU 82 -1.661 4.446 -13.201 594 3HD1 LEU 82 3HD1 LEU 82 -2.657 4.150 -14.626 595 1HD2 LEU 82 1HD2 LEU 82 -2.286 6.704 -12.200 596 2HD2 LEU 82 2HD2 LEU 82 -2.276 8.106 -13.269 597 3HD2 LEU 82 3HD2 LEU 82 -0.790 7.199 -12.992 598 H ASN 83 H ASN 83 0.113 6.751 -17.898 599 HA ASN 83 HA ASN 83 2.923 6.416 -17.537 600 1HB ASN 83 2HB ASN 83 1.022 6.162 -19.676 601 2HB ASN 83 1HB ASN 83 2.421 7.060 -20.263 602 1HD2 ASN 83 1HD2 ASN 83 4.579 5.997 -20.020 603 2HD2 ASN 83 2HD2 ASN 83 4.674 4.306 -19.908 604 H GLU 84 H GLU 84 0.983 9.191 -18.536 605 HA GLU 84 HA GLU 84 3.182 10.829 -19.408 606 1HB GLU 84 2HB GLU 84 0.345 11.091 -19.112 607 2HB GLU 84 1HB GLU 84 1.115 12.468 -18.323 608 1HG GLU 84 2HG GLU 84 2.274 13.088 -20.312 609 2HG GLU 84 1HG GLU 84 1.904 11.552 -21.094 610 H LEU 85 H LEU 85 1.888 10.027 -16.266 611 HA LEU 85 HA LEU 85 3.499 12.174 -14.993 612 1HB LEU 85 2HB LEU 85 1.127 10.610 -14.252 613 2HB LEU 85 1HB LEU 85 2.310 10.742 -12.950 614 HG LEU 85 HG LEU 85 1.253 13.093 -14.546 615 1HD1 LEU 85 1HD1 LEU 85 0.138 11.625 -12.301 616 2HD1 LEU 85 2HD1 LEU 85 -0.573 12.944 -13.232 617 3HD1 LEU 85 3HD1 LEU 85 0.476 13.298 -11.858 618 1HD2 LEU 85 1HD2 LEU 85 2.270 13.996 -12.141 619 2HD2 LEU 85 2HD2 LEU 85 3.130 14.037 -13.680 620 3HD2 LEU 85 3HD2 LEU 85 3.387 12.699 -12.561 621 H GLY 86 H GLY 86 4.444 9.518 -16.286 622 1HA GLY 86 2HA GLY 86 6.107 7.925 -15.844 623 2HA GLY 86 1HA GLY 86 6.679 9.056 -14.617 624 H ILE 87 H ILE 87 3.920 6.806 -15.053 625 HA ILE 87 HA ILE 87 4.489 5.797 -12.300 626 HB ILE 87 HB ILE 87 1.766 6.454 -13.466 627 1HG1 ILE 87 2HG1 ILE 87 3.186 7.558 -11.023 628 2HG1 ILE 87 1HG1 ILE 87 3.144 8.371 -12.587 629 1HG2 ILE 87 1HG2 ILE 87 2.641 4.675 -11.294 630 2HG2 ILE 87 2HG2 ILE 87 1.087 4.755 -12.124 631 3HG2 ILE 87 3HG2 ILE 87 1.434 5.860 -10.794 632 1HD1 ILE 87 1HD1 ILE 87 0.677 7.559 -11.026 633 2HD1 ILE 87 2HD1 ILE 87 0.720 8.517 -12.507 634 3HD1 ILE 87 3HD1 ILE 87 1.373 9.179 -11.008 635 H LYS 88 H LYS 88 4.150 3.563 -12.039 636 HA LYS 88 HA LYS 88 4.085 2.019 -14.534 637 1HB LYS 88 2HB LYS 88 4.023 0.783 -11.794 638 2HB LYS 88 1HB LYS 88 4.830 0.210 -13.254 639 1HG LYS 88 2HG LYS 88 5.986 2.704 -12.781 640 2HG LYS 88 1HG LYS 88 5.830 1.995 -11.175 641 1HD LYS 88 2HD LYS 88 6.756 0.044 -13.135 642 2HD LYS 88 1HD LYS 88 7.839 1.432 -13.022 643 1HE LYS 88 2HE LYS 88 8.482 0.921 -10.896 644 2HE LYS 88 1HE LYS 88 6.862 0.400 -10.429 645 1HZ LYS 88 1HZ LYS 88 7.661 -1.654 -10.574 646 2HZ LYS 88 2HZ LYS 88 9.070 -1.152 -11.380 647 3HZ LYS 88 3HZ LYS 88 7.647 -1.454 -12.258 648 H ILE 89 H ILE 89 2.234 1.203 -15.397 649 HA ILE 89 HA ILE 89 -0.194 1.141 -13.668 650 HB ILE 89 HB ILE 89 -0.010 0.984 -16.690 651 1HG1 ILE 89 2HG1 ILE 89 -1.148 3.412 -15.540 652 2HG1 ILE 89 1HG1 ILE 89 0.533 3.186 -15.055 653 1HG2 ILE 89 1HG2 ILE 89 -2.351 1.616 -14.870 654 2HG2 ILE 89 2HG2 ILE 89 -2.057 0.031 -15.586 655 3HG2 ILE 89 3HG2 ILE 89 -2.398 1.417 -16.621 656 1HD1 ILE 89 1HD1 ILE 89 -0.482 3.078 -17.911 657 2HD1 ILE 89 2HD1 ILE 89 1.198 2.914 -17.401 658 3HD1 ILE 89 3HD1 ILE 89 0.356 4.449 -17.183 659 H TYR 90 H TYR 90 -1.055 -0.803 -13.115 660 HA TYR 90 HA TYR 90 -0.033 -3.228 -14.544 661 1HB TYR 90 2HB TYR 90 -0.570 -2.649 -11.655 662 2HB TYR 90 1HB TYR 90 -0.856 -4.287 -12.239 663 HD1 TYR 90 HD1 TYR 90 1.726 -1.747 -13.212 664 HD2 TYR 90 HD2 TYR 90 0.935 -5.612 -11.508 665 HE1 TYR 90 HE1 TYR 90 4.161 -2.205 -13.124 666 HE2 TYR 90 HE2 TYR 90 3.371 -6.071 -11.421 667 HH TYR 90 HH TYR 90 5.399 -5.365 -12.071 668 H ARG 91 H ARG 91 -1.610 -4.997 -14.754 669 HA ARG 91 HA ARG 91 -4.356 -3.932 -15.123 670 1HB ARG 91 2HB ARG 91 -3.430 -5.083 -17.046 671 2HB ARG 91 1HB ARG 91 -3.018 -6.487 -16.060 672 1HG ARG 91 2HG ARG 91 -5.200 -7.220 -15.942 673 2HG ARG 91 1HG ARG 91 -5.864 -5.591 -16.049 674 1HD ARG 91 2HD ARG 91 -4.631 -5.845 -18.488 675 2HD ARG 91 1HD ARG 91 -5.199 -7.490 -18.200 676 HE ARG 91 HE ARG 91 -6.909 -5.105 -18.547 677 1HH1 ARG 91 2HH1 ARG 91 -6.599 -8.371 -19.089 678 2HH1 ARG 91 1HH1 ARG 91 -8.237 -8.784 -18.706 679 1HH2 ARG 91 1HH2 ARG 91 -9.015 -5.648 -17.447 680 2HH2 ARG 91 2HH2 ARG 91 -9.605 -7.243 -17.777 681 H ALA 92 H ALA 92 -6.140 -4.822 -14.052 682 HA ALA 92 HA ALA 92 -5.471 -6.676 -11.805 683 1HB ALA 92 1HB ALA 92 -7.930 -5.686 -11.169 684 2HB ALA 92 2HB ALA 92 -7.252 -4.325 -12.062 685 3HB ALA 92 3HB ALA 92 -6.414 -4.953 -10.643 686 H THR 93 H THR 93 -5.735 -8.573 -13.137 687 HA THR 93 HA THR 93 -8.572 -9.343 -13.450 688 HB THR 93 HB THR 93 -6.601 -9.601 -15.740 689 HG1 THR 93 HG1 THR 93 -8.598 -7.723 -15.120 690 1HG2 THR 93 1HG2 THR 93 -8.149 -11.333 -15.996 691 2HG2 THR 93 2HG2 THR 93 -8.904 -10.027 -16.910 692 3HG2 THR 93 3HG2 THR 93 -9.460 -10.399 -15.277 693 H GLY 94 H GLY 94 -6.185 -10.089 -11.781 694 1HA GLY 94 2HA GLY 94 -5.396 -12.748 -12.695 695 2HA GLY 94 1HA GLY 94 -4.992 -12.028 -11.137 696 H THR 95 H THR 95 -6.916 -11.841 -9.582 697 HA THR 95 HA THR 95 -9.170 -13.625 -9.998 698 HB THR 95 HB THR 95 -6.864 -14.504 -8.248 699 HG1 THR 95 HG1 THR 95 -8.391 -15.871 -10.202 700 1HG2 THR 95 1HG2 THR 95 -9.779 -15.016 -8.018 701 2HG2 THR 95 2HG2 THR 95 -8.525 -15.061 -6.778 702 3HG2 THR 95 3HG2 THR 95 -8.728 -16.425 -7.878 703 H SER 96 H SER 96 -7.110 -12.077 -7.517 704 HA SER 96 HA SER 96 -9.532 -10.763 -6.441 705 1HB SER 96 2HB SER 96 -8.634 -13.092 -5.259 706 2HB SER 96 1HB SER 96 -7.836 -11.845 -4.304 707 HG SER 96 HG SER 96 -10.083 -10.856 -4.386 708 H VAL 97 H VAL 97 -8.931 -9.039 -4.857 709 HA VAL 97 HA VAL 97 -6.572 -7.598 -5.783 710 HB VAL 97 HB VAL 97 -8.647 -7.035 -3.650 711 1HG1 VAL 97 1HG1 VAL 97 -7.470 -4.652 -3.971 712 2HG1 VAL 97 2HG1 VAL 97 -6.070 -5.673 -4.300 713 3HG1 VAL 97 3HG1 VAL 97 -6.914 -5.804 -2.757 714 1HG2 VAL 97 1HG2 VAL 97 -9.642 -6.664 -5.734 715 2HG2 VAL 97 2HG2 VAL 97 -8.126 -6.155 -6.478 716 3HG2 VAL 97 3HG2 VAL 97 -8.974 -5.073 -5.373 717 H GLU 98 H GLU 98 -7.530 -9.287 -2.809 718 HA GLU 98 HA GLU 98 -5.290 -8.576 -1.214 719 1HB GLU 98 2HB GLU 98 -7.187 -10.903 -1.252 720 2HB GLU 98 1HB GLU 98 -5.779 -10.954 -0.191 721 1HG GLU 98 2HG GLU 98 -6.674 -8.445 0.327 722 2HG GLU 98 1HG GLU 98 -8.201 -9.252 -0.035 723 H GLU 99 H GLU 99 -5.747 -11.439 -3.320 724 HA GLU 99 HA GLU 99 -3.040 -12.379 -2.902 725 1HB GLU 99 2HB GLU 99 -4.864 -13.894 -3.590 726 2HB GLU 99 1HB GLU 99 -5.001 -13.031 -5.122 727 1HG GLU 99 2HG GLU 99 -3.307 -14.221 -6.001 728 2HG GLU 99 1HG GLU 99 -2.247 -13.755 -4.670 729 H ASN 100 H ASN 100 -4.600 -10.283 -5.269 730 HA ASN 100 HA ASN 100 -2.578 -10.236 -7.250 731 1HB ASN 100 2HB ASN 100 -4.815 -8.506 -6.437 732 2HB ASN 100 1HB ASN 100 -3.488 -7.638 -7.210 733 1HD2 ASN 100 1HD2 ASN 100 -4.366 -11.028 -7.911 734 2HD2 ASN 100 2HD2 ASN 100 -4.844 -10.743 -9.514 735 H LEU 101 H LEU 101 -2.892 -8.303 -4.271 736 HA LEU 101 HA LEU 101 -0.729 -6.556 -4.614 737 1HB LEU 101 2HB LEU 101 -2.178 -6.355 -2.683 738 2HB LEU 101 1HB LEU 101 -1.683 -7.943 -2.094 739 HG LEU 101 HG LEU 101 0.664 -7.094 -1.919 740 1HD1 LEU 101 1HD1 LEU 101 1.003 -4.640 -2.030 741 2HD1 LEU 101 2HD1 LEU 101 -0.665 -4.444 -2.567 742 3HD1 LEU 101 3HD1 LEU 101 0.495 -5.296 -3.587 743 1HD2 LEU 101 1HD2 LEU 101 0.300 -5.864 0.126 744 2HD2 LEU 101 2HD2 LEU 101 -1.000 -7.050 -0.006 745 3HD2 LEU 101 3HD2 LEU 101 -1.304 -5.358 -0.401 746 H LYS 102 H LYS 102 -0.670 -9.911 -3.406 747 HA LYS 102 HA LYS 102 2.208 -9.890 -3.003 748 1HB LYS 102 2HB LYS 102 0.716 -11.419 -1.753 749 2HB LYS 102 1HB LYS 102 0.301 -12.234 -3.262 750 1HG LYS 102 2HG LYS 102 2.027 -13.609 -2.635 751 2HG LYS 102 1HG LYS 102 2.990 -12.361 -3.425 752 1HD LYS 102 2HD LYS 102 2.977 -11.205 -1.087 753 2HD LYS 102 1HD LYS 102 2.528 -12.801 -0.484 754 1HE LYS 102 2HE LYS 102 4.843 -12.571 -2.374 755 2HE LYS 102 1HE LYS 102 5.076 -12.125 -0.684 756 1HZ LYS 102 1HZ LYS 102 5.533 -14.351 -0.625 757 2HZ LYS 102 2HZ LYS 102 4.415 -14.739 -1.844 758 3HZ LYS 102 3HZ LYS 102 3.874 -14.379 -0.274 759 H LEU 103 H LEU 103 0.055 -10.728 -5.658 760 HA LEU 103 HA LEU 103 1.988 -12.182 -7.216 761 1HB LEU 103 2HB LEU 103 -0.472 -10.615 -8.052 762 2HB LEU 103 1HB LEU 103 0.460 -11.653 -9.134 763 HG LEU 103 HG LEU 103 -0.991 -12.509 -6.613 764 1HD1 LEU 103 1HD1 LEU 103 -2.234 -13.944 -8.257 765 2HD1 LEU 103 2HD1 LEU 103 -1.389 -13.106 -9.559 766 3HD1 LEU 103 3HD1 LEU 103 -2.488 -12.216 -8.504 767 1HD2 LEU 103 1HD2 LEU 103 -0.233 -14.810 -7.350 768 2HD2 LEU 103 2HD2 LEU 103 1.064 -13.771 -6.760 769 3HD2 LEU 103 3HD2 LEU 103 0.849 -14.015 -8.493 770 H PHE 104 H PHE 104 1.460 -8.788 -6.638 771 HA PHE 104 HA PHE 104 2.671 -7.687 -8.959 772 1HB PHE 104 2HB PHE 104 1.496 -6.329 -7.250 773 2HB PHE 104 1HB PHE 104 2.804 -6.651 -6.109 774 HD1 PHE 104 HD1 PHE 104 5.174 -5.927 -6.737 775 HD2 PHE 104 HD2 PHE 104 1.676 -4.584 -8.842 776 HE1 PHE 104 HE1 PHE 104 6.470 -4.035 -7.681 777 HE2 PHE 104 HE2 PHE 104 2.973 -2.692 -9.787 778 HZ PHE 104 HZ PHE 104 5.369 -2.416 -9.206 779 H THR 105 H THR 105 4.149 -8.644 -5.848 780 HA THR 105 HA THR 105 6.835 -8.000 -6.624 781 HB THR 105 HB THR 105 5.779 -9.979 -4.581 782 HG1 THR 105 HG1 THR 105 5.285 -7.785 -4.209 783 1HG2 THR 105 1HG2 THR 105 8.242 -10.174 -5.542 784 2HG2 THR 105 2HG2 THR 105 7.937 -10.319 -3.812 785 3HG2 THR 105 3HG2 THR 105 8.526 -8.797 -4.480 786 H GLU 106 H GLU 106 4.891 -10.958 -6.878 787 HA GLU 106 HA GLU 106 7.055 -12.588 -7.890 788 1HB GLU 106 2HB GLU 106 4.764 -13.313 -6.868 789 2HB GLU 106 1HB GLU 106 4.152 -13.097 -8.508 790 1HG GLU 106 2HG GLU 106 5.259 -14.925 -9.300 791 2HG GLU 106 1HG GLU 106 6.681 -14.618 -8.302 792 H GLY 107 H GLY 107 5.391 -10.006 -9.248 793 1HA GLY 107 2HA GLY 107 5.227 -9.201 -11.446 794 2HA GLY 107 1HA GLY 107 6.649 -10.193 -11.775 795 H ASN 108 H ASN 108 3.627 -11.555 -10.620 796 HA ASN 108 HA ASN 108 3.518 -13.283 -12.991 797 1HB ASN 108 2HB ASN 108 2.814 -13.644 -10.364 798 2HB ASN 108 1HB ASN 108 1.245 -13.340 -11.110 799 1HD2 ASN 108 1HD2 ASN 108 2.430 -15.942 -10.080 800 2HD2 ASN 108 2HD2 ASN 108 2.348 -17.008 -11.398 801 H LEU 109 H LEU 109 1.853 -10.457 -11.740 802 HA LEU 109 HA LEU 109 0.312 -10.358 -14.288 803 1HB LEU 109 2HB LEU 109 -0.787 -10.806 -11.669 804 2HB LEU 109 1HB LEU 109 -1.330 -9.236 -12.265 805 HG LEU 109 HG LEU 109 -1.390 -11.579 -14.132 806 1HD1 LEU 109 1HD1 LEU 109 -2.962 -11.289 -11.653 807 2HD1 LEU 109 2HD1 LEU 109 -2.695 -12.716 -12.655 808 3HD1 LEU 109 3HD1 LEU 109 -3.932 -11.540 -13.104 809 1HD2 LEU 109 1HD2 LEU 109 -2.511 -10.079 -15.386 810 2HD2 LEU 109 2HD2 LEU 109 -2.220 -8.868 -14.137 811 3HD2 LEU 109 3HD2 LEU 109 -3.692 -9.838 -14.098 812 H GLU 110 H GLU 110 0.183 -8.304 -15.148 813 HA GLU 110 HA GLU 110 0.454 -5.901 -13.583 814 1HB GLU 110 2HB GLU 110 2.655 -5.190 -14.208 815 2HB GLU 110 1HB GLU 110 2.828 -6.828 -13.578 816 1HG GLU 110 2HG GLU 110 2.314 -7.283 -16.247 817 2HG GLU 110 1HG GLU 110 3.287 -5.812 -16.298 818 H GLU 111 H GLU 111 1.778 -4.430 -15.774 819 HA GLU 111 HA GLU 111 0.257 -4.922 -18.192 820 1HB GLU 111 2HB GLU 111 -1.504 -3.978 -16.732 821 2HB GLU 111 1HB GLU 111 -0.518 -2.534 -16.519 822 1HG GLU 111 2HG GLU 111 -1.616 -1.743 -18.340 823 2HG GLU 111 1HG GLU 111 -0.546 -2.805 -19.257 824 H ILE 112 H ILE 112 0.583 -1.638 -17.722 825 HA ILE 112 HA ILE 112 2.899 -1.564 -19.515 826 HB ILE 112 HB ILE 112 1.714 0.882 -18.234 827 1HG1 ILE 112 2HG1 ILE 112 0.452 -0.816 -20.411 828 2HG1 ILE 112 1HG1 ILE 112 -0.251 -0.411 -18.844 829 1HG2 ILE 112 1HG2 ILE 112 2.846 0.167 -20.953 830 2HG2 ILE 112 2HG2 ILE 112 3.567 1.227 -19.743 831 3HG2 ILE 112 3HG2 ILE 112 2.101 1.723 -20.587 832 1HD1 ILE 112 1HD1 ILE 112 0.198 1.375 -21.224 833 2HD1 ILE 112 2HD1 ILE 112 0.074 2.062 -19.606 834 3HD1 ILE 112 3HD1 ILE 112 -1.272 1.143 -20.278 835 H ARG 113 H ARG 113 4.604 -2.366 -18.183 836 HA ARG 113 HA ARG 113 5.181 -1.369 -15.558 837 1HB ARG 113 2HB ARG 113 6.181 -3.391 -17.098 838 2HB ARG 113 1HB ARG 113 7.487 -2.209 -17.210 839 1HG ARG 113 2HG ARG 113 7.134 -2.015 -14.605 840 2HG ARG 113 1HG ARG 113 6.404 -3.610 -14.787 841 1HD ARG 113 2HD ARG 113 8.397 -4.612 -15.274 842 2HD ARG 113 1HD ARG 113 8.984 -3.226 -16.193 843 HE ARG 113 HE ARG 113 9.086 -2.244 -13.666 844 1HH1 ARG 113 1HH2 ARG 113 9.062 -5.084 -12.659 845 2HH1 ARG 113 2HH2 ARG 113 10.754 -5.440 -12.562 846 1HH2 ARG 113 2HH1 ARG 113 11.697 -2.772 -14.566 847 2HH2 ARG 113 1HH1 ARG 113 12.246 -4.131 -13.643 848 H SER 114 H SER 114 6.860 -0.650 -18.647 849 HA SER 114 HA SER 114 6.879 2.177 -18.241 850 1HB SER 114 2HB SER 114 8.451 2.260 -16.591 851 2HB SER 114 1HB SER 114 9.016 0.624 -16.918 852 HG SER 114 HG SER 114 10.617 1.564 -17.890 853 HA PRO 115 HA PRO 115 8.186 1.725 -22.419 854 1HB PRO 115 2HB PRO 115 8.707 4.378 -22.919 855 2HB PRO 115 1HB PRO 115 7.072 3.701 -22.829 856 1HG PRO 115 2HG PRO 115 8.513 5.397 -20.844 857 2HG PRO 115 1HG PRO 115 6.772 5.221 -21.115 858 1HD PRO 115 2HD PRO 115 8.257 4.006 -19.033 859 2HD PRO 115 1HD PRO 115 6.599 3.589 -19.515 860 H GLY 116 H GLY 116 10.123 2.728 -23.837 861 1HA GLY 116 2HA GLY 116 12.444 3.253 -24.018 862 2HA GLY 116 1HA GLY 116 12.573 3.177 -22.261 863 H SER 117 H SER 117 10.942 0.564 -23.833 864 HA SER 117 HA SER 117 13.333 -1.088 -24.156 865 1HB SER 117 2HB SER 117 12.956 -2.616 -22.372 866 2HB SER 117 1HB SER 117 12.821 -1.019 -21.640 867 HG SER 117 HG SER 117 10.640 -1.220 -21.604 868 H GLY 118 H GLY 118 9.795 -0.930 -23.898 869 1HA GLY 118 2HA GLY 118 9.594 -3.250 -25.751 870 2HA GLY 118 1HA GLY 118 8.262 -2.587 -24.805 871 H ARG 119 H ARG 119 10.325 -0.305 -26.364 872 HA ARG 119 HA ARG 119 8.184 0.851 -27.867 873 1HB ARG 119 2HB ARG 119 10.709 1.652 -27.180 874 2HB ARG 119 1HB ARG 119 10.915 1.310 -28.897 875 1HG ARG 119 2HG ARG 119 8.907 2.727 -29.371 876 2HG ARG 119 1HG ARG 119 8.848 3.150 -27.660 877 1HD ARG 119 2HD ARG 119 10.145 4.685 -29.401 878 2HD ARG 119 1HD ARG 119 10.766 4.441 -27.769 879 HE ARG 119 HE ARG 119 12.433 2.931 -28.675 880 1HH1 ARG 119 1HH2 ARG 119 12.434 5.346 -30.582 881 2HH1 ARG 119 2HH2 ARG 119 12.506 4.541 -32.115 882 1HH2 ARG 119 2HH1 ARG 119 11.617 1.445 -30.832 883 2HH2 ARG 119 1HH1 ARG 119 12.044 2.333 -32.255 884 H GLY 120 H GLY 120 7.491 0.481 -29.954 885 1HA GLY 120 2HA GLY 120 8.506 -1.934 -31.289 886 2HA GLY 120 1HA GLY 120 7.115 -0.975 -31.799 887 H ARG 121 H ARG 121 7.983 -1.040 -33.995 888 HA ARG 121 HA ARG 121 9.980 1.115 -34.423 889 1HB ARG 121 2HB ARG 121 10.195 -1.707 -35.505 890 2HB ARG 121 1HB ARG 121 11.084 -0.344 -36.187 891 1HG ARG 121 2HG ARG 121 11.565 -0.096 -33.472 892 2HG ARG 121 1HG ARG 121 11.582 -1.842 -33.719 893 1HD ARG 121 2HD ARG 121 12.996 -0.417 -35.840 894 2HD ARG 121 1HD ARG 121 13.689 -0.103 -34.250 895 HE ARG 121 HE ARG 121 13.163 -2.937 -34.843 896 1HH1 ARG 121 2HH1 ARG 121 15.252 -1.387 -33.047 897 2HH1 ARG 121 1HH1 ARG 121 16.713 -1.882 -33.835 898 1HH2 ARG 121 1HH2 ARG 121 15.096 -3.116 -36.643 899 2HH2 ARG 121 2HH2 ARG 121 16.625 -2.861 -35.869 900 H ARG 122 H ARG 122 8.127 2.317 -35.180 901 HA ARG 122 HA ARG 122 6.717 1.248 -37.557 902 1HB ARG 122 2HB ARG 122 6.040 3.044 -35.448 903 2HB ARG 122 1HB ARG 122 5.986 3.956 -36.958 904 1HG ARG 122 2HG ARG 122 4.024 2.984 -37.468 905 2HG ARG 122 1HG ARG 122 4.812 1.406 -37.454 906 1HD ARG 122 2HD ARG 122 3.849 0.862 -35.490 907 2HD ARG 122 1HD ARG 122 4.376 2.374 -34.751 908 HE ARG 122 HE ARG 122 2.065 2.865 -34.884 909 1HH1 ARG 122 1HH2 ARG 122 2.823 0.785 -37.462 910 2HH1 ARG 122 2HH2 ARG 122 1.576 1.373 -38.510 911 1HH2 ARG 122 2HH1 ARG 122 0.632 3.942 -36.379 912 2HH2 ARG 122 1HH1 ARG 122 0.335 3.159 -37.896 913 H ARG 123 H ARG 123 6.388 3.026 -39.353 914 HA ARG 123 HA ARG 123 9.036 4.337 -39.834 915 1HB ARG 123 2HB ARG 123 7.184 3.016 -41.842 916 2HB ARG 123 1HB ARG 123 8.648 3.907 -42.257 917 1HG ARG 123 2HG ARG 123 9.801 2.278 -40.556 918 2HG ARG 123 1HG ARG 123 8.379 1.272 -40.838 919 1HD ARG 123 2HD ARG 123 8.822 1.433 -43.300 920 2HD ARG 123 1HD ARG 123 10.319 2.289 -42.933 921 HE ARG 123 HE ARG 123 10.047 -0.308 -41.595 922 1HH1 ARG 123 2HH1 ARG 123 9.997 -0.398 -44.718 923 2HH1 ARG 123 1HH1 ARG 123 11.665 -0.742 -45.029 924 1HH2 ARG 123 1HH2 ARG 123 12.703 0.053 -41.817 925 2HH2 ARG 123 2HH2 ARG 123 13.197 -0.486 -43.386 926 H ARG 124 HN ARG 124 8.166 6.324 -38.953 927 HA ARG 124 HA ARG 124 6.169 7.626 -40.762 928 1HB ARG 124 2HB ARG 124 6.135 7.283 -37.905 929 2HB ARG 124 1HB ARG 124 6.255 9.004 -38.280 930 1HG ARG 124 2HG ARG 124 4.345 7.487 -39.955 931 2HG ARG 124 1HG ARG 124 3.904 7.622 -38.252 932 1HD ARG 124 2HD ARG 124 4.837 10.174 -38.986 933 2HD ARG 124 1HD ARG 124 3.811 9.647 -40.321 934 HE ARG 124 HE ARG 124 2.917 9.930 -37.490 935 1HH1 ARG 124 1HH2 ARG 124 2.067 8.374 -40.336 936 2HH1 ARG 124 2HH2 ARG 124 0.477 9.056 -40.444 937 1HH2 ARG 124 1HH1 ARG 124 0.970 11.283 -37.832 938 2HH2 ARG 124 2HH1 ARG 124 -0.142 10.704 -39.027 Start of MODEL 8 1 1H MET 1 1H MET 1 9.248 2.999 -5.130 2 2H MET 1 2H MET 1 8.493 3.068 -3.609 3 3H MET 1 3H MET 1 7.609 3.421 -5.016 4 HA MET 1 HA MET 1 7.761 1.165 -5.769 5 1HB MET 1 2HB MET 1 10.018 1.127 -4.105 6 2HB MET 1 1HB MET 1 8.871 0.032 -3.332 7 1HG MET 1 2HG MET 1 9.404 -0.105 -6.297 8 2HG MET 1 1HG MET 1 10.427 -0.959 -5.143 9 1HE MET 1 1HE MET 1 8.034 -3.386 -7.056 10 2HE MET 1 2HE MET 1 9.528 -3.638 -6.157 11 3HE MET 1 3HE MET 1 9.390 -2.267 -7.255 12 H LYS 2 H LYS 2 5.623 2.327 -4.978 13 HA LYS 2 HA LYS 2 4.615 0.823 -2.593 14 1HB LYS 2 2HB LYS 2 4.477 3.633 -3.281 15 2HB LYS 2 1HB LYS 2 2.854 2.956 -3.133 16 1HG LYS 2 2HG LYS 2 3.402 2.052 -0.921 17 2HG LYS 2 1HG LYS 2 5.053 2.657 -1.067 18 1HD LYS 2 2HD LYS 2 2.978 4.697 -1.537 19 2HD LYS 2 1HD LYS 2 2.994 4.044 0.102 20 1HE LYS 2 2HE LYS 2 5.300 4.633 0.407 21 2HE LYS 2 1HE LYS 2 5.491 5.019 -1.303 22 1HZ LYS 2 1HZ LYS 2 4.890 7.082 -0.841 23 2HZ LYS 2 2HZ LYS 2 4.619 6.686 0.788 24 3HZ LYS 2 3HZ LYS 2 3.364 6.531 -0.346 25 H ILE 3 H ILE 3 2.594 -0.209 -2.818 26 HA ILE 3 HA ILE 3 1.518 -0.269 -5.609 27 HB ILE 3 HB ILE 3 1.434 -2.525 -3.587 28 1HG1 ILE 3 2HG1 ILE 3 3.129 -2.759 -6.002 29 2HG1 ILE 3 1HG1 ILE 3 3.712 -1.614 -4.793 30 1HG2 ILE 3 1HG2 ILE 3 -0.117 -3.280 -5.053 31 2HG2 ILE 3 2HG2 ILE 3 1.227 -3.526 -6.168 32 3HG2 ILE 3 3HG2 ILE 3 0.286 -2.035 -6.237 33 1HD1 ILE 3 1HD1 ILE 3 3.071 -4.544 -4.375 34 2HD1 ILE 3 2HD1 ILE 3 3.406 -3.422 -3.057 35 3HD1 ILE 3 3HD1 ILE 3 4.651 -3.770 -4.254 36 H ALA 4 H ALA 4 -0.374 0.852 -5.590 37 HA ALA 4 HA ALA 4 -2.188 0.466 -3.241 38 1HB ALA 4 1HB ALA 4 -2.055 2.805 -5.171 39 2HB ALA 4 2HB ALA 4 -1.414 2.803 -3.527 40 3HB ALA 4 3HB ALA 4 -3.152 2.663 -3.797 41 H ILE 5 H ILE 5 -3.982 -0.702 -3.708 42 HA ILE 5 HA ILE 5 -4.721 -1.065 -6.564 43 HB ILE 5 HB ILE 5 -5.796 -2.529 -4.138 44 1HG1 ILE 5 2HG1 ILE 5 -4.073 -4.205 -5.585 45 2HG1 ILE 5 1HG1 ILE 5 -3.208 -2.673 -5.459 46 1HG2 ILE 5 1HG2 ILE 5 -6.653 -2.455 -6.789 47 2HG2 ILE 5 2HG2 ILE 5 -7.033 -3.712 -5.612 48 3HG2 ILE 5 3HG2 ILE 5 -5.665 -3.914 -6.706 49 1HD1 ILE 5 1HD1 ILE 5 -2.614 -3.835 -3.483 50 2HD1 ILE 5 2HD1 ILE 5 -4.260 -4.414 -3.230 51 3HD1 ILE 5 3HD1 ILE 5 -3.872 -2.715 -2.965 52 H ALA 6 H ALA 6 -6.759 -0.478 -7.338 53 HA ALA 6 HA ALA 6 -8.180 1.545 -5.765 54 1HB ALA 6 1HB ALA 6 -7.837 1.019 -8.495 55 2HB ALA 6 2HB ALA 6 -8.861 2.270 -7.788 56 3HB ALA 6 3HB ALA 6 -9.542 0.692 -8.188 57 H SER 7 H SER 7 -10.474 1.396 -5.262 58 HA SER 7 HA SER 7 -12.281 0.268 -4.272 59 1HB SER 7 2HB SER 7 -11.679 -1.157 -6.810 60 2HB SER 7 1HB SER 7 -12.721 -2.001 -5.668 61 HG SER 7 HG SER 7 -13.110 0.413 -7.033 62 H SER 8 H SER 8 -10.887 -2.769 -5.351 63 HA SER 8 HA SER 8 -10.017 -4.576 -4.135 64 1HB SER 8 2HB SER 8 -9.079 -2.194 -2.580 65 2HB SER 8 1HB SER 8 -8.900 -3.791 -1.862 66 HG SER 8 HG SER 8 -7.975 -4.328 -4.041 67 H GLY 9 H GLY 9 -12.793 -3.436 -3.654 68 1HA GLY 9 2HA GLY 9 -14.563 -3.698 -2.113 69 2HA GLY 9 1HA GLY 9 -13.824 -5.283 -1.871 70 H THR 10 H THR 10 -12.943 -5.703 0.112 71 HA THR 10 HA THR 10 -11.997 -3.483 1.808 72 HB THR 10 HB THR 10 -13.634 -5.080 3.505 73 HG1 THR 10 HG1 THR 10 -15.488 -5.196 2.490 74 1HG2 THR 10 1HG2 THR 10 -14.795 -2.894 3.837 75 2HG2 THR 10 2HG2 THR 10 -13.890 -2.244 2.471 76 3HG2 THR 10 3HG2 THR 10 -13.040 -2.759 3.927 77 H ASP 11 H ASP 11 -13.043 -6.791 2.637 78 HA ASP 11 HA ASP 11 -10.279 -7.767 2.635 79 1HB ASP 11 2HB ASP 11 -11.476 -6.674 5.042 80 2HB ASP 11 1HB ASP 11 -11.090 -8.382 5.252 81 H LEU 12 H LEU 12 -13.625 -8.342 3.737 82 HA LEU 12 HA LEU 12 -13.236 -11.256 3.381 83 1HB LEU 12 2HB LEU 12 -15.827 -9.900 4.125 84 2HB LEU 12 1HB LEU 12 -15.286 -11.532 4.522 85 HG LEU 12 HG LEU 12 -13.335 -9.734 5.545 86 1HD1 LEU 12 1HD1 LEU 12 -14.656 -8.333 7.034 87 2HD1 LEU 12 2HD1 LEU 12 -16.153 -9.031 6.416 88 3HD1 LEU 12 3HD1 LEU 12 -15.153 -8.021 5.371 89 1HD2 LEU 12 1HD2 LEU 12 -13.939 -10.767 7.658 90 2HD2 LEU 12 2HD2 LEU 12 -14.038 -11.997 6.397 91 3HD2 LEU 12 3HD2 LEU 12 -15.510 -11.251 7.019 92 H GLY 13 H GLY 13 -13.922 -8.710 1.393 93 1HA GLY 13 2HA GLY 13 -15.192 -10.505 -0.581 94 2HA GLY 13 1HA GLY 13 -16.094 -9.049 -0.156 95 H SER 14 H SER 14 -12.655 -8.830 -0.052 96 HA SER 14 HA SER 14 -12.667 -6.809 -2.151 97 1HB SER 14 2HB SER 14 -10.140 -6.886 -1.723 98 2HB SER 14 1HB SER 14 -11.150 -6.427 -0.355 99 HG SER 14 HG SER 14 -9.432 -8.402 -0.485 100 H GLU 15 H GLU 15 -13.418 -8.195 -3.944 101 HA GLU 15 HA GLU 15 -11.741 -10.404 -4.827 102 1HB GLU 15 2HB GLU 15 -13.699 -9.004 -6.624 103 2HB GLU 15 1HB GLU 15 -13.337 -10.726 -6.496 104 1HG GLU 15 2HG GLU 15 -14.270 -10.292 -4.002 105 2HG GLU 15 1HG GLU 15 -15.179 -9.053 -4.868 106 H VAL 16 H VAL 16 -12.153 -9.245 -7.704 107 HA VAL 16 HA VAL 16 -9.500 -7.968 -7.788 108 HB VAL 16 HB VAL 16 -10.304 -9.771 -9.426 109 1HG1 VAL 16 1HG1 VAL 16 -11.790 -9.180 -11.162 110 2HG1 VAL 16 2HG1 VAL 16 -11.643 -7.456 -10.821 111 3HG1 VAL 16 3HG1 VAL 16 -12.544 -8.499 -9.720 112 1HG2 VAL 16 1HG2 VAL 16 -9.464 -7.253 -10.850 113 2HG2 VAL 16 2HG2 VAL 16 -8.921 -8.909 -11.118 114 3HG2 VAL 16 3HG2 VAL 16 -8.379 -8.023 -9.693 115 H SER 17 H SER 17 -11.706 -6.484 -6.576 116 HA SER 17 HA SER 17 -12.425 -4.246 -6.579 117 1HB SER 17 2HB SER 17 -11.188 -3.494 -9.134 118 2HB SER 17 1HB SER 17 -10.997 -2.771 -7.540 119 HG SER 17 HG SER 17 -9.714 -4.750 -7.085 120 H ARG 18 H ARG 18 -13.063 -2.657 -8.896 121 HA ARG 18 HA ARG 18 -14.828 -4.308 -10.574 122 1HB ARG 18 2HB ARG 18 -16.104 -3.838 -8.430 123 2HB ARG 18 1HB ARG 18 -16.034 -2.127 -8.852 124 1HG ARG 18 2HG ARG 18 -18.003 -2.588 -9.915 125 2HG ARG 18 1HG ARG 18 -16.931 -3.153 -11.197 126 1HD ARG 18 2HD ARG 18 -17.229 -5.260 -9.280 127 2HD ARG 18 1HD ARG 18 -18.834 -4.671 -9.715 128 HE ARG 18 HE ARG 18 -18.095 -5.033 -12.136 129 1HH1 ARG 18 1HH2 ARG 18 -15.309 -5.813 -11.789 130 2HH1 ARG 18 2HH2 ARG 18 -15.374 -7.541 -11.706 131 1HH2 ARG 18 2HH1 ARG 18 -18.774 -7.645 -11.034 132 2HH2 ARG 18 1HH1 ARG 18 -17.336 -8.579 -11.280 133 H PHE 19 H PHE 19 -14.891 -0.861 -9.625 134 HA PHE 19 HA PHE 19 -14.332 -0.206 -12.489 135 1HB PHE 19 2HB PHE 19 -15.723 1.508 -10.410 136 2HB PHE 19 1HB PHE 19 -15.563 1.864 -12.130 137 HD1 PHE 19 HD1 PHE 19 -15.992 -0.977 -13.156 138 HD2 PHE 19 HD2 PHE 19 -18.117 1.386 -10.262 139 HE1 PHE 19 HE1 PHE 19 -18.059 -2.271 -13.616 140 HE2 PHE 19 HE2 PHE 19 -20.183 0.091 -10.722 141 HZ PHE 19 HZ PHE 19 -20.154 -1.737 -12.399 142 H PHE 20 H PHE 20 -13.702 2.497 -12.143 143 HA PHE 20 HA PHE 20 -11.592 2.742 -10.123 144 1HB PHE 20 2HB PHE 20 -10.523 1.422 -11.980 145 2HB PHE 20 1HB PHE 20 -10.832 2.785 -13.058 146 HD1 PHE 20 HD1 PHE 20 -8.859 3.955 -13.476 147 HD2 PHE 20 HD2 PHE 20 -9.652 2.531 -9.499 148 HE1 PHE 20 HE1 PHE 20 -6.795 5.068 -12.666 149 HE2 PHE 20 HE2 PHE 20 -7.586 3.642 -8.689 150 HZ PHE 20 HZ PHE 20 -6.159 4.910 -10.273 151 H GLY 21 H GLY 21 -13.838 4.290 -10.393 152 1HA GLY 21 2HA GLY 21 -12.721 6.834 -11.503 153 2HA GLY 21 1HA GLY 21 -14.424 6.415 -11.699 154 H ARG 22 H ARG 22 -15.547 5.885 -9.519 155 HA ARG 22 HA ARG 22 -14.649 7.913 -7.515 156 1HB ARG 22 2HB ARG 22 -17.444 6.838 -8.002 157 2HB ARG 22 1HB ARG 22 -17.002 8.113 -6.865 158 1HG ARG 22 2HG ARG 22 -16.670 9.673 -8.525 159 2HG ARG 22 1HG ARG 22 -16.161 8.465 -9.705 160 1HD ARG 22 2HD ARG 22 -18.452 7.719 -10.011 161 2HD ARG 22 1HD ARG 22 -19.009 8.779 -8.715 162 HE ARG 22 HE ARG 22 -17.707 10.412 -10.625 163 1HH1 ARG 22 2HH1 ARG 22 -20.697 9.102 -9.731 164 2HH1 ARG 22 1HH1 ARG 22 -21.531 9.612 -11.161 165 1HH2 ARG 22 1HH2 ARG 22 -18.666 10.744 -12.750 166 2HH2 ARG 22 2HH2 ARG 22 -20.381 10.541 -12.871 167 H ALA 23 H ALA 23 -14.144 4.861 -7.906 168 HA ALA 23 HA ALA 23 -15.336 3.260 -6.003 169 1HB ALA 23 1HB ALA 23 -12.389 3.500 -6.654 170 2HB ALA 23 2HB ALA 23 -13.552 2.389 -7.378 171 3HB ALA 23 3HB ALA 23 -13.072 2.191 -5.692 172 HA PRO 24 HA PRO 24 -14.417 5.810 -2.389 173 1HB PRO 24 2HB PRO 24 -16.471 4.774 -0.889 174 2HB PRO 24 1HB PRO 24 -16.687 6.076 -2.072 175 1HG PRO 24 2HG PRO 24 -17.475 3.210 -2.275 176 2HG PRO 24 1HG PRO 24 -18.159 4.623 -3.097 177 1HD PRO 24 2HD PRO 24 -16.359 2.733 -4.224 178 2HD PRO 24 1HD PRO 24 -16.836 4.289 -4.936 179 H TYR 25 H TYR 25 -12.859 3.455 -2.912 180 HA TYR 25 HA TYR 25 -12.395 2.555 -0.166 181 1HB TYR 25 2HB TYR 25 -13.693 0.832 -2.214 182 2HB TYR 25 1HB TYR 25 -12.401 0.089 -1.271 183 HD1 TYR 25 HD1 TYR 25 -15.845 1.116 -1.290 184 HD2 TYR 25 HD2 TYR 25 -12.509 0.301 1.294 185 HE1 TYR 25 HE1 TYR 25 -17.396 0.858 0.630 186 HE2 TYR 25 HE2 TYR 25 -14.060 0.042 3.214 187 HH TYR 25 HH TYR 25 -16.223 0.557 3.910 188 H PHE 26 H PHE 26 -10.509 3.907 -1.066 189 HA PHE 26 HA PHE 26 -8.771 2.595 -3.016 190 1HB PHE 26 2HB PHE 26 -8.625 5.066 -1.319 191 2HB PHE 26 1HB PHE 26 -7.140 4.425 -2.020 192 HD1 PHE 26 HD1 PHE 26 -7.026 6.591 -3.329 193 HD2 PHE 26 HD2 PHE 26 -10.191 3.730 -3.853 194 HE1 PHE 26 HE1 PHE 26 -7.603 7.628 -5.507 195 HE2 PHE 26 HE2 PHE 26 -10.768 4.768 -6.031 196 HZ PHE 26 HZ PHE 26 -9.475 6.717 -6.858 197 H MET 27 H MET 27 -7.425 0.940 -2.501 198 HA MET 27 HA MET 27 -6.730 0.531 0.369 199 1HB MET 27 2HB MET 27 -7.518 -1.235 -1.723 200 2HB MET 27 1HB MET 27 -5.848 -1.623 -1.307 201 1HG MET 27 2HG MET 27 -7.610 -1.117 1.009 202 2HG MET 27 1HG MET 27 -8.018 -2.553 0.069 203 1HE MET 27 1HE MET 27 -6.440 -5.053 1.284 204 2HE MET 27 2HE MET 27 -7.842 -4.004 1.480 205 3HE MET 27 3HE MET 27 -6.685 -4.172 2.799 206 H ILE 28 H ILE 28 -4.750 1.278 0.945 207 HA ILE 28 HA ILE 28 -2.652 1.480 -1.165 208 HB ILE 28 HB ILE 28 -2.682 2.748 1.588 209 1HG1 ILE 28 2HG1 ILE 28 -4.581 3.541 0.211 210 2HG1 ILE 28 1HG1 ILE 28 -3.372 4.809 0.419 211 1HG2 ILE 28 1HG2 ILE 28 -0.888 2.834 -0.804 212 2HG2 ILE 28 2HG2 ILE 28 -0.474 2.871 0.911 213 3HG2 ILE 28 3HG2 ILE 28 -1.103 4.319 0.124 214 1HD1 ILE 28 1HD1 ILE 28 -4.320 3.597 -2.026 215 2HD1 ILE 28 2HD1 ILE 28 -2.580 3.352 -1.867 216 3HD1 ILE 28 3HD1 ILE 28 -3.249 4.984 -1.822 217 H VAL 29 H VAL 29 -0.887 0.161 -1.050 218 HA VAL 29 HA VAL 29 -0.362 -1.242 1.535 219 HB VAL 29 HB VAL 29 -0.375 -2.457 -1.245 220 1HG1 VAL 29 1HG1 VAL 29 1.158 -3.132 1.088 221 2HG1 VAL 29 2HG1 VAL 29 1.101 -3.965 -0.465 222 3HG1 VAL 29 3HG1 VAL 29 -0.040 -4.397 0.810 223 1HG2 VAL 29 1HG2 VAL 29 -2.315 -3.548 -0.629 224 2HG2 VAL 29 2HG2 VAL 29 -2.512 -2.083 0.334 225 3HG2 VAL 29 3HG2 VAL 29 -1.890 -3.553 1.084 226 H GLU 30 H GLU 30 1.758 -1.165 2.136 227 HA GLU 30 HA GLU 30 3.698 -0.066 0.147 228 1HB GLU 30 2HB GLU 30 3.381 0.178 3.107 229 2HB GLU 30 1HB GLU 30 5.023 0.192 2.462 230 1HG GLU 30 2HG GLU 30 4.742 2.210 1.425 231 2HG GLU 30 1HG GLU 30 3.057 1.882 1.019 232 H MET 31 H MET 31 5.958 -0.948 0.354 233 HA MET 31 HA MET 31 6.130 -3.666 1.517 234 1HB MET 31 2HB MET 31 5.279 -3.807 -0.897 235 2HB MET 31 1HB MET 31 6.864 -3.202 -1.379 236 1HG MET 31 2HG MET 31 7.968 -5.091 -0.331 237 2HG MET 31 1HG MET 31 6.440 -5.658 0.344 238 1HE MET 31 1HE MET 31 4.403 -5.367 -2.728 239 2HE MET 31 2HE MET 31 4.462 -5.609 -0.984 240 3HE MET 31 3HE MET 31 4.363 -7.002 -2.057 241 H LYS 32 H LYS 32 8.217 -4.137 2.180 242 HA LYS 32 HA LYS 32 10.206 -1.963 1.836 243 1HB LYS 32 2HB LYS 32 9.521 -3.254 4.074 244 2HB LYS 32 1HB LYS 32 10.763 -4.374 3.511 245 1HG LYS 32 2HG LYS 32 12.074 -2.056 3.114 246 2HG LYS 32 1HG LYS 32 11.033 -1.562 4.449 247 1HD LYS 32 2HD LYS 32 12.701 -4.088 4.513 248 2HD LYS 32 1HD LYS 32 13.277 -2.541 5.135 249 1HE LYS 32 2HE LYS 32 12.193 -2.932 7.064 250 2HE LYS 32 1HE LYS 32 10.664 -2.939 6.184 251 1HZ LYS 32 1HZ LYS 32 10.815 -5.243 5.829 252 2HZ LYS 32 2HZ LYS 32 11.215 -5.015 7.464 253 3HZ LYS 32 3HZ LYS 32 12.437 -5.307 6.320 254 H LYS 33 H LYS 33 10.554 -5.521 2.014 255 HA LYS 33 HA LYS 33 12.129 -5.397 -0.515 256 1HB LYS 33 2HB LYS 33 13.007 -6.411 2.171 257 2HB LYS 33 1HB LYS 33 13.614 -7.201 0.715 258 1HG LYS 33 2HG LYS 33 14.086 -4.727 -0.068 259 2HG LYS 33 1HG LYS 33 14.046 -4.387 1.661 260 1HD LYS 33 2HD LYS 33 15.640 -6.753 0.833 261 2HD LYS 33 1HD LYS 33 16.290 -5.178 0.379 262 1HE LYS 33 2HE LYS 33 15.459 -4.795 3.002 263 2HE LYS 33 1HE LYS 33 16.131 -6.426 3.018 264 1HZ LYS 33 1HZ LYS 33 17.626 -4.276 3.282 265 2HZ LYS 33 2HZ LYS 33 17.640 -4.385 1.587 266 3HZ LYS 33 3HZ LYS 33 18.193 -5.685 2.528 267 H GLY 34 H GLY 34 9.952 -6.279 -1.219 268 1HA GLY 34 2HA GLY 34 8.765 -8.134 -2.040 269 2HA GLY 34 1HA GLY 34 10.114 -9.143 -1.515 270 H ASN 35 H ASN 35 8.809 -7.122 0.923 271 HA ASN 35 HA ASN 35 7.150 -9.383 1.958 272 1HB ASN 35 2HB ASN 35 9.546 -8.219 3.102 273 2HB ASN 35 1HB ASN 35 8.173 -8.001 4.188 274 1HD2 ASN 35 1HD2 ASN 35 8.711 -9.657 5.715 275 2HD2 ASN 35 2HD2 ASN 35 8.768 -11.304 5.306 276 H ILE 36 H ILE 36 5.127 -8.498 1.674 277 HA ILE 36 HA ILE 36 4.535 -5.698 1.947 278 HB ILE 36 HB ILE 36 2.572 -7.980 2.274 279 1HG1 ILE 36 2HG1 ILE 36 2.635 -6.943 -0.392 280 2HG1 ILE 36 1HG1 ILE 36 4.277 -7.410 0.050 281 1HG2 ILE 36 1HG2 ILE 36 1.190 -6.176 0.970 282 2HG2 ILE 36 2HG2 ILE 36 2.424 -5.062 1.558 283 3HG2 ILE 36 3HG2 ILE 36 1.441 -5.976 2.704 284 1HD1 ILE 36 1HD1 ILE 36 2.316 -9.371 0.950 285 2HD1 ILE 36 2HD1 ILE 36 3.767 -9.608 -0.024 286 3HD1 ILE 36 3HD1 ILE 36 2.254 -9.134 -0.796 287 H GLU 37 H GLU 37 4.635 -4.608 3.845 288 HA GLU 37 HA GLU 37 3.590 -5.970 6.290 289 1HB GLU 37 2HB GLU 37 5.385 -4.496 7.491 290 2HB GLU 37 1HB GLU 37 5.898 -5.998 6.723 291 1HG GLU 37 2HG GLU 37 7.046 -4.919 5.068 292 2HG GLU 37 1HG GLU 37 5.874 -3.604 4.974 293 H SER 38 H SER 38 2.271 -4.129 4.441 294 HA SER 38 HA SER 38 1.330 -2.190 6.412 295 1HB SER 38 2HB SER 38 3.298 -1.425 4.385 296 2HB SER 38 1HB SER 38 1.825 -0.465 4.290 297 HG SER 38 HG SER 38 3.328 0.413 5.774 298 H SER 39 H SER 39 -0.768 -2.914 6.075 299 HA SER 39 HA SER 39 -1.863 -2.463 3.331 300 1HB SER 39 2HB SER 39 -2.605 -4.698 5.244 301 2HB SER 39 1HB SER 39 -3.382 -4.381 3.694 302 HG SER 39 HG SER 39 -0.600 -4.630 3.755 303 H GLU 40 H GLU 40 -2.996 -0.587 3.672 304 HA GLU 40 HA GLU 40 -4.937 -0.588 5.947 305 1HB GLU 40 2HB GLU 40 -3.242 1.678 4.873 306 2HB GLU 40 1HB GLU 40 -4.641 1.942 5.915 307 1HG GLU 40 2HG GLU 40 -3.410 0.073 7.384 308 2HG GLU 40 1HG GLU 40 -1.994 0.732 6.565 309 H VAL 41 H VAL 41 -7.005 -0.426 5.272 310 HA VAL 41 HA VAL 41 -7.516 0.411 2.464 311 HB VAL 41 HB VAL 41 -8.486 -1.731 3.108 312 1HG1 VAL 41 1HG1 VAL 41 -8.977 -1.986 5.299 313 2HG1 VAL 41 2HG1 VAL 41 -10.477 -1.125 4.959 314 3HG1 VAL 41 3HG1 VAL 41 -9.070 -0.243 5.553 315 1HG2 VAL 41 1HG2 VAL 41 -9.881 -0.552 1.583 316 2HG2 VAL 41 2HG2 VAL 41 -10.421 0.575 2.827 317 3HG2 VAL 41 3HG2 VAL 41 -10.971 -1.101 2.857 318 H ILE 42 H ILE 42 -8.765 2.229 2.007 319 HA ILE 42 HA ILE 42 -9.993 3.672 4.304 320 HB ILE 42 HB ILE 42 -8.412 5.189 2.239 321 1HG1 ILE 42 2HG1 ILE 42 -7.337 4.056 4.843 322 2HG1 ILE 42 1HG1 ILE 42 -6.897 3.484 3.234 323 1HG2 ILE 42 1HG2 ILE 42 -8.310 6.848 4.040 324 2HG2 ILE 42 2HG2 ILE 42 -9.105 5.725 5.144 325 3HG2 ILE 42 3HG2 ILE 42 -9.985 6.371 3.760 326 1HD1 ILE 42 1HD1 ILE 42 -5.169 4.998 3.759 327 2HD1 ILE 42 2HD1 ILE 42 -6.280 6.139 4.519 328 3HD1 ILE 42 3HD1 ILE 42 -6.264 5.959 2.764 329 H GLU 43 H GLU 43 -11.857 4.812 3.742 330 HA GLU 43 HA GLU 43 -12.887 4.277 1.012 331 1HB GLU 43 2HB GLU 43 -14.447 5.597 3.227 332 2HB GLU 43 1HB GLU 43 -15.044 4.611 1.891 333 1HG GLU 43 2HG GLU 43 -14.110 2.606 2.862 334 2HG GLU 43 1HG GLU 43 -13.281 3.538 4.109 335 H ASN 44 H ASN 44 -13.435 5.937 -0.417 336 HA ASN 44 HA ASN 44 -13.056 8.739 0.507 337 1HB ASN 44 2HB ASN 44 -11.649 9.265 -1.424 338 2HB ASN 44 1HB ASN 44 -10.905 7.965 -0.493 339 1HD2 ASN 44 1HD2 ASN 44 -12.119 8.827 -3.610 340 2HD2 ASN 44 2HD2 ASN 44 -11.994 7.292 -4.325 341 HA PRO 45 HA PRO 45 -16.746 8.153 -2.197 342 1HB PRO 45 2HB PRO 45 -18.519 9.261 -0.411 343 2HB PRO 45 1HB PRO 45 -18.112 7.537 -0.445 344 1HG PRO 45 2HG PRO 45 -17.247 9.631 1.493 345 2HG PRO 45 1HG PRO 45 -17.411 7.884 1.730 346 1HD PRO 45 2HD PRO 45 -14.983 9.277 1.310 347 2HD PRO 45 1HD PRO 45 -15.207 7.517 1.212 348 H SER 46 H SER 46 -14.856 10.624 -1.063 349 HA SER 46 HA SER 46 -16.355 12.989 -1.413 350 1HB SER 46 2HB SER 46 -13.458 12.293 -1.783 351 2HB SER 46 1HB SER 46 -14.033 13.881 -2.286 352 HG SER 46 HG SER 46 -15.025 13.911 -0.088 353 H ALA 47 H ALA 47 -15.107 10.731 -3.777 354 HA ALA 47 HA ALA 47 -15.385 12.486 -6.065 355 1HB ALA 47 1HB ALA 47 -15.447 9.455 -6.002 356 2HB ALA 47 2HB ALA 47 -13.968 10.414 -6.037 357 3HB ALA 47 3HB ALA 47 -15.090 10.473 -7.396 358 H SER 48 H SER 48 -17.486 10.122 -4.462 359 HA SER 48 HA SER 48 -19.629 10.613 -6.439 360 1HB SER 48 2HB SER 48 -19.803 8.949 -3.919 361 2HB SER 48 1HB SER 48 -20.818 8.843 -5.355 362 HG SER 48 HG SER 48 -18.465 7.647 -4.830 363 H ALA 49 H ALA 49 -19.175 12.995 -5.351 364 HA ALA 49 HA ALA 49 -21.397 13.320 -3.378 365 1HB ALA 49 1HB ALA 49 -19.933 15.363 -2.607 366 2HB ALA 49 2HB ALA 49 -18.611 14.448 -3.330 367 3HB ALA 49 3HB ALA 49 -19.549 13.749 -2.010 368 H SER 50 H SER 50 -19.312 15.079 -5.699 369 HA SER 50 HA SER 50 -21.756 16.405 -6.742 370 1HB SER 50 2HB SER 50 -19.543 17.718 -5.286 371 2HB SER 50 1HB SER 50 -19.996 18.492 -6.801 372 HG SER 50 HG SER 50 -21.657 17.860 -4.588 373 H GLY 51 H GLY 51 -21.538 17.058 -8.938 374 1HA GLY 51 2HA GLY 51 -20.681 16.929 -11.118 375 2HA GLY 51 1HA GLY 51 -19.084 17.106 -10.388 376 H GLY 52 H GLY 52 -19.521 15.402 -12.592 377 1HA GLY 52 2HA GLY 52 -19.739 12.656 -11.548 378 2HA GLY 52 1HA GLY 52 -19.502 13.107 -13.237 379 H ALA 53 H ALA 53 -17.355 13.581 -13.966 380 HA ALA 53 HA ALA 53 -15.062 13.051 -14.058 381 1HB ALA 53 1HB ALA 53 -14.584 13.721 -11.238 382 2HB ALA 53 2HB ALA 53 -15.513 14.947 -12.100 383 3HB ALA 53 3HB ALA 53 -13.926 14.464 -12.696 384 H GLY 54 H GLY 54 -13.252 11.964 -12.406 385 1HA GLY 54 2HA GLY 54 -13.725 10.103 -10.492 386 2HA GLY 54 1HA GLY 54 -14.358 9.281 -11.918 387 H ILE 55 H ILE 55 -12.622 9.805 -13.894 388 HA ILE 55 HA ILE 55 -10.322 8.212 -13.212 389 HB ILE 55 HB ILE 55 -10.708 9.979 -15.647 390 1HG1 ILE 55 2HG1 ILE 55 -12.605 8.367 -15.190 391 2HG1 ILE 55 1HG1 ILE 55 -11.752 8.073 -16.706 392 1HG2 ILE 55 1HG2 ILE 55 -9.337 7.824 -16.499 393 2HG2 ILE 55 2HG2 ILE 55 -8.778 7.864 -14.827 394 3HG2 ILE 55 3HG2 ILE 55 -8.536 9.264 -15.871 395 1HD1 ILE 55 1HD1 ILE 55 -12.242 6.055 -15.106 396 2HD1 ILE 55 2HD1 ILE 55 -10.862 6.675 -14.199 397 3HD1 ILE 55 3HD1 ILE 55 -10.661 6.177 -15.879 398 H ARG 56 H ARG 56 -10.998 11.464 -12.652 399 HA ARG 56 HA ARG 56 -8.395 12.619 -13.113 400 1HB ARG 56 2HB ARG 56 -10.613 13.456 -11.218 401 2HB ARG 56 1HB ARG 56 -9.212 14.443 -11.634 402 1HG ARG 56 2HG ARG 56 -10.539 13.420 -14.015 403 2HG ARG 56 1HG ARG 56 -11.642 14.363 -13.013 404 1HD ARG 56 2HD ARG 56 -9.628 16.050 -12.880 405 2HD ARG 56 1HD ARG 56 -9.090 15.224 -14.342 406 HE ARG 56 HE ARG 56 -11.759 16.561 -14.121 407 1HH1 ARG 56 1HH2 ARG 56 -8.694 16.637 -15.522 408 2HH1 ARG 56 2HH2 ARG 56 -9.253 16.912 -17.138 409 1HH2 ARG 56 2HH1 ARG 56 -12.599 16.471 -16.339 410 2HH2 ARG 56 1HH1 ARG 56 -11.464 16.816 -17.601 411 H THR 57 H THR 57 -9.872 10.915 -10.400 412 HA THR 57 HA THR 57 -7.979 11.563 -8.387 413 HB THR 57 HB THR 57 -10.124 10.313 -8.020 414 HG1 THR 57 HG1 THR 57 -8.898 8.599 -6.700 415 1HG2 THR 57 1HG2 THR 57 -9.606 8.774 -10.037 416 2HG2 THR 57 2HG2 THR 57 -10.348 8.042 -8.614 417 3HG2 THR 57 3HG2 THR 57 -8.617 7.857 -8.901 418 H ALA 58 H ALA 58 -7.589 9.732 -11.257 419 HA ALA 58 HA ALA 58 -5.629 7.836 -10.488 420 1HB ALA 58 1HB ALA 58 -6.702 7.947 -12.739 421 2HB ALA 58 2HB ALA 58 -4.944 7.833 -12.830 422 3HB ALA 58 3HB ALA 58 -5.743 9.384 -13.093 423 H GLN 59 H GLN 59 -5.217 11.226 -11.542 424 HA GLN 59 HA GLN 59 -2.357 11.227 -11.335 425 1HB GLN 59 2HB GLN 59 -3.735 12.955 -12.539 426 2HB GLN 59 1HB GLN 59 -4.220 13.588 -10.965 427 1HG GLN 59 2HG GLN 59 -1.816 13.934 -10.400 428 2HG GLN 59 1HG GLN 59 -1.384 13.402 -12.025 429 1HE2 GLN 59 1HE2 GLN 59 -0.876 15.234 -13.238 430 2HE2 GLN 59 2HE2 GLN 59 -1.765 16.680 -13.235 431 H ILE 60 H ILE 60 -4.916 11.643 -8.970 432 HA ILE 60 HA ILE 60 -3.179 12.758 -6.919 433 HB ILE 60 HB ILE 60 -5.834 11.344 -6.545 434 1HG1 ILE 60 2HG1 ILE 60 -6.120 13.094 -8.215 435 2HG1 ILE 60 1HG1 ILE 60 -6.790 13.662 -6.685 436 1HG2 ILE 60 1HG2 ILE 60 -5.935 12.966 -4.597 437 2HG2 ILE 60 2HG2 ILE 60 -4.244 13.346 -4.921 438 3HG2 ILE 60 3HG2 ILE 60 -4.706 11.710 -4.453 439 1HD1 ILE 60 1HD1 ILE 60 -4.353 14.569 -8.140 440 2HD1 ILE 60 2HD1 ILE 60 -4.272 14.546 -6.379 441 3HD1 ILE 60 3HD1 ILE 60 -5.509 15.504 -7.193 442 H ILE 61 H ILE 61 -4.111 9.531 -7.940 443 HA ILE 61 HA ILE 61 -3.139 8.214 -5.537 444 HB ILE 61 HB ILE 61 -3.729 7.158 -8.318 445 1HG1 ILE 61 2HG1 ILE 61 -5.270 7.010 -5.706 446 2HG1 ILE 61 1HG1 ILE 61 -5.681 8.041 -7.077 447 1HG2 ILE 61 1HG2 ILE 61 -3.891 5.092 -6.423 448 2HG2 ILE 61 2HG2 ILE 61 -2.396 5.945 -6.040 449 3HG2 ILE 61 3HG2 ILE 61 -2.648 5.293 -7.659 450 1HD1 ILE 61 1HD1 ILE 61 -7.054 6.082 -7.267 451 2HD1 ILE 61 2HD1 ILE 61 -5.680 5.015 -6.982 452 3HD1 ILE 61 3HD1 ILE 61 -5.790 5.927 -8.486 453 H ALA 62 H ALA 62 -1.805 8.849 -8.776 454 HA ALA 62 HA ALA 62 0.650 7.413 -8.336 455 1HB ALA 62 1HB ALA 62 0.193 7.862 -10.597 456 2HB ALA 62 2HB ALA 62 1.458 9.031 -10.217 457 3HB ALA 62 3HB ALA 62 -0.228 9.544 -10.274 458 H ASN 63 H ASN 63 -0.457 10.605 -7.444 459 HA ASN 63 HA ASN 63 2.203 11.663 -6.903 460 1HB ASN 63 2HB ASN 63 -0.551 12.615 -6.785 461 2HB ASN 63 1HB ASN 63 0.383 13.135 -5.382 462 1HD2 ASN 63 1HD2 ASN 63 -0.376 14.040 -8.516 463 2HD2 ASN 63 2HD2 ASN 63 0.969 15.021 -8.846 464 H ASN 64 H ASN 64 0.325 9.352 -5.367 465 HA ASN 64 HA ASN 64 1.172 10.081 -2.630 466 1HB ASN 64 2HB ASN 64 -1.091 9.147 -2.987 467 2HB ASN 64 1HB ASN 64 -0.374 7.674 -3.639 468 1HD2 ASN 64 1HD2 ASN 64 0.219 9.719 -0.711 469 2HD2 ASN 64 2HD2 ASN 64 0.248 8.410 0.370 470 H GLY 65 H GLY 65 3.133 9.320 -4.770 471 1HA GLY 65 2HA GLY 65 5.146 8.111 -4.828 472 2HA GLY 65 1HA GLY 65 4.826 7.644 -3.157 473 H VAL 66 H VAL 66 2.232 6.899 -5.215 474 HA VAL 66 HA VAL 66 2.853 4.022 -4.985 475 HB VAL 66 HB VAL 66 0.434 5.461 -6.119 476 1HG1 VAL 66 1HG1 VAL 66 -0.138 3.446 -6.950 477 2HG1 VAL 66 2HG1 VAL 66 -0.169 2.822 -5.301 478 3HG1 VAL 66 3HG1 VAL 66 1.308 2.710 -6.258 479 1HG2 VAL 66 1HG2 VAL 66 -0.491 5.377 -4.023 480 2HG2 VAL 66 2HG2 VAL 66 1.197 5.373 -3.512 481 3HG2 VAL 66 3HG2 VAL 66 0.306 3.855 -3.623 482 H LYS 67 H LYS 67 4.559 3.748 -6.471 483 HA LYS 67 HA LYS 67 4.269 4.648 -9.237 484 1HB LYS 67 2HB LYS 67 6.271 2.835 -7.859 485 2HB LYS 67 1HB LYS 67 6.354 3.251 -9.571 486 1HG LYS 67 2HG LYS 67 6.446 5.192 -7.244 487 2HG LYS 67 1HG LYS 67 7.788 4.769 -8.308 488 1HD LYS 67 2HD LYS 67 6.369 5.611 -10.243 489 2HD LYS 67 1HD LYS 67 5.256 6.259 -9.037 490 1HE LYS 67 2HE LYS 67 6.760 7.860 -8.305 491 2HE LYS 67 1HE LYS 67 8.166 6.903 -8.768 492 1HZ LYS 67 1HZ LYS 67 6.478 8.643 -10.410 493 2HZ LYS 67 2HZ LYS 67 7.172 7.279 -11.145 494 3HZ LYS 67 3HZ LYS 67 8.163 8.452 -10.418 495 H ALA 68 H ALA 68 2.917 2.162 -7.455 496 HA ALA 68 HA ALA 68 2.557 0.531 -9.942 497 1HB ALA 68 1HB ALA 68 2.639 -0.484 -7.085 498 2HB ALA 68 2HB ALA 68 3.946 -0.651 -8.257 499 3HB ALA 68 3HB ALA 68 2.407 -1.469 -8.529 500 H VAL 69 H VAL 69 0.520 1.056 -10.608 501 HA VAL 69 HA VAL 69 -1.615 1.310 -8.541 502 HB VAL 69 HB VAL 69 -1.465 2.233 -11.424 503 1HG1 VAL 69 1HG1 VAL 69 -3.725 3.365 -10.385 504 2HG1 VAL 69 2HG1 VAL 69 -3.761 1.777 -9.619 505 3HG1 VAL 69 3HG1 VAL 69 -3.720 1.907 -11.377 506 1HG2 VAL 69 1HG2 VAL 69 -1.936 3.872 -8.929 507 2HG2 VAL 69 2HG2 VAL 69 -1.410 4.427 -10.519 508 3HG2 VAL 69 3HG2 VAL 69 -0.306 3.507 -9.496 509 H ILE 70 H ILE 70 -2.861 -0.468 -8.278 510 HA ILE 70 HA ILE 70 -3.000 -2.454 -10.489 511 HB ILE 70 HB ILE 70 -4.217 -2.933 -7.794 512 1HG1 ILE 70 2HG1 ILE 70 -2.022 -1.879 -7.319 513 2HG1 ILE 70 1HG1 ILE 70 -2.023 -3.591 -6.890 514 1HG2 ILE 70 1HG2 ILE 70 -4.454 -4.851 -9.026 515 2HG2 ILE 70 2HG2 ILE 70 -2.810 -5.143 -8.461 516 3HG2 ILE 70 3HG2 ILE 70 -3.083 -4.473 -10.069 517 1HD1 ILE 70 1HD1 ILE 70 -0.374 -4.027 -8.362 518 2HD1 ILE 70 2HD1 ILE 70 -0.213 -2.288 -8.602 519 3HD1 ILE 70 3HD1 ILE 70 -1.259 -3.230 -9.665 520 H ALA 71 H ALA 71 -4.669 -1.984 -11.856 521 HA ALA 71 HA ALA 71 -7.384 -1.833 -10.724 522 1HB ALA 71 1HB ALA 71 -5.957 0.522 -11.572 523 2HB ALA 71 2HB ALA 71 -7.592 0.399 -10.923 524 3HB ALA 71 3HB ALA 71 -7.318 0.238 -12.658 525 H SER 72 H SER 72 -8.991 -1.651 -12.663 526 HA SER 72 HA SER 72 -7.894 -2.899 -15.124 527 1HB SER 72 2HB SER 72 -9.180 -4.401 -13.120 528 2HB SER 72 1HB SER 72 -10.391 -4.172 -14.379 529 HG SER 72 HG SER 72 -9.241 -5.920 -15.011 530 H SER 73 H SER 73 -8.716 -0.291 -14.977 531 HA SER 73 HA SER 73 -11.419 0.337 -15.323 532 1HB SER 73 2HB SER 73 -8.861 1.495 -16.301 533 2HB SER 73 1HB SER 73 -10.323 2.006 -17.141 534 HG SER 73 HG SER 73 -10.831 3.142 -15.455 535 HA PRO 74 HA PRO 74 -12.531 -1.742 -19.041 536 1HB PRO 74 2HB PRO 74 -14.827 -0.321 -19.566 537 2HB PRO 74 1HB PRO 74 -14.712 -1.566 -18.310 538 1HG PRO 74 2HG PRO 74 -14.798 1.400 -18.009 539 2HG PRO 74 1HG PRO 74 -15.303 0.141 -16.870 540 1HD PRO 74 2HD PRO 74 -12.890 1.617 -16.747 541 2HD PRO 74 1HD PRO 74 -13.263 0.145 -15.825 542 H GLY 75 H GLY 75 -11.338 1.371 -18.919 543 1HA GLY 75 2HA GLY 75 -11.255 1.517 -21.889 544 2HA GLY 75 1HA GLY 75 -11.813 2.934 -20.997 545 HA PRO 76 HA PRO 76 -7.072 2.617 -21.117 546 1HB PRO 76 2HB PRO 76 -6.526 3.885 -23.495 547 2HB PRO 76 1HB PRO 76 -6.683 2.127 -23.336 548 1HG PRO 76 2HG PRO 76 -8.597 4.079 -24.526 549 2HG PRO 76 1HG PRO 76 -8.391 2.355 -24.874 550 1HD PRO 76 2HD PRO 76 -10.428 3.496 -23.270 551 2HD PRO 76 1HD PRO 76 -10.019 1.770 -23.372 552 H ASN 77 H ASN 77 -9.531 4.888 -21.219 553 HA ASN 77 HA ASN 77 -8.265 7.386 -21.500 554 1HB ASN 77 2HB ASN 77 -10.512 6.518 -19.664 555 2HB ASN 77 1HB ASN 77 -10.021 8.202 -19.857 556 1HD2 ASN 77 1HD2 ASN 77 -12.621 7.510 -20.629 557 2HD2 ASN 77 2HD2 ASN 77 -12.745 7.539 -22.322 558 H ALA 78 H ALA 78 -8.606 5.410 -18.539 559 HA ALA 78 HA ALA 78 -7.069 7.232 -16.907 560 1HB ALA 78 1HB ALA 78 -6.854 5.000 -15.494 561 2HB ALA 78 2HB ALA 78 -8.091 4.431 -16.616 562 3HB ALA 78 3HB ALA 78 -8.398 5.844 -15.606 563 H PHE 79 H PHE 79 -6.229 3.967 -18.138 564 HA PHE 79 HA PHE 79 -3.545 3.909 -17.422 565 1HB PHE 79 2HB PHE 79 -4.732 2.939 -20.040 566 2HB PHE 79 1HB PHE 79 -3.186 2.424 -19.364 567 HD1 PHE 79 HD1 PHE 79 -3.767 2.173 -16.505 568 HD2 PHE 79 HD2 PHE 79 -6.164 1.076 -19.899 569 HE1 PHE 79 HE1 PHE 79 -4.934 0.469 -15.130 570 HE2 PHE 79 HE2 PHE 79 -7.332 -0.627 -18.524 571 HZ PHE 79 HZ PHE 79 -6.717 -0.930 -16.139 572 H GLU 80 H GLU 80 -5.046 5.931 -19.826 573 HA GLU 80 HA GLU 80 -2.635 6.556 -21.297 574 1HB GLU 80 2HB GLU 80 -5.373 7.770 -21.067 575 2HB GLU 80 1HB GLU 80 -4.086 8.678 -21.862 576 1HG GLU 80 2HG GLU 80 -4.538 5.807 -22.615 577 2HG GLU 80 1HG GLU 80 -5.599 7.052 -23.276 578 H VAL 81 H VAL 81 -4.457 8.370 -18.797 579 HA VAL 81 HA VAL 81 -2.527 10.465 -18.542 580 HB VAL 81 HB VAL 81 -4.296 9.474 -16.300 581 1HG1 VAL 81 1HG1 VAL 81 -2.553 11.383 -16.078 582 2HG1 VAL 81 2HG1 VAL 81 -4.199 11.704 -15.529 583 3HG1 VAL 81 3HG1 VAL 81 -3.655 12.313 -17.093 584 1HG2 VAL 81 1HG2 VAL 81 -5.016 10.583 -18.941 585 2HG2 VAL 81 2HG2 VAL 81 -5.749 11.421 -17.573 586 3HG2 VAL 81 3HG2 VAL 81 -6.009 9.690 -17.788 587 H LEU 82 H LEU 82 -2.981 7.451 -16.680 588 HA LEU 82 HA LEU 82 -0.932 7.780 -14.790 589 1HB LEU 82 2HB LEU 82 -2.558 5.645 -15.730 590 2HB LEU 82 1HB LEU 82 -0.891 5.068 -15.753 591 HG LEU 82 HG LEU 82 -1.237 6.549 -13.347 592 1HD1 LEU 82 1HD1 LEU 82 -3.608 6.282 -13.418 593 2HD1 LEU 82 2HD1 LEU 82 -3.025 5.018 -12.335 594 3HD1 LEU 82 3HD1 LEU 82 -3.476 4.620 -13.992 595 1HD2 LEU 82 1HD2 LEU 82 -0.669 4.400 -12.324 596 2HD2 LEU 82 2HD2 LEU 82 0.294 4.623 -13.786 597 3HD2 LEU 82 3HD2 LEU 82 -1.108 3.551 -13.807 598 H ASN 83 H ASN 83 -0.638 6.141 -17.966 599 HA ASN 83 HA ASN 83 2.154 5.751 -17.909 600 1HB ASN 83 2HB ASN 83 0.049 5.599 -19.858 601 2HB ASN 83 1HB ASN 83 1.433 6.421 -20.580 602 1HD2 ASN 83 1HD2 ASN 83 0.992 3.980 -21.670 603 2HD2 ASN 83 2HD2 ASN 83 2.078 2.816 -21.080 604 H GLU 84 H GLU 84 0.281 8.636 -18.704 605 HA GLU 84 HA GLU 84 2.410 10.162 -19.855 606 1HB GLU 84 2HB GLU 84 -0.296 10.585 -19.226 607 2HB GLU 84 1HB GLU 84 0.587 11.792 -18.290 608 1HG GLU 84 2HG GLU 84 0.892 11.304 -21.268 609 2HG GLU 84 1HG GLU 84 0.035 12.658 -20.533 610 H LEU 85 H LEU 85 1.243 9.920 -16.489 611 HA LEU 85 HA LEU 85 3.151 11.758 -15.398 612 1HB LEU 85 2HB LEU 85 1.213 9.799 -14.375 613 2HB LEU 85 1HB LEU 85 2.640 9.970 -13.353 614 HG LEU 85 HG LEU 85 1.731 12.565 -14.267 615 1HD1 LEU 85 1HD1 LEU 85 -0.467 12.642 -13.582 616 2HD1 LEU 85 2HD1 LEU 85 -0.255 11.350 -12.401 617 3HD1 LEU 85 3HD1 LEU 85 -0.417 10.961 -14.113 618 1HD2 LEU 85 1HD2 LEU 85 2.612 13.036 -12.246 619 2HD2 LEU 85 2HD2 LEU 85 2.879 11.311 -11.997 620 3HD2 LEU 85 3HD2 LEU 85 1.379 12.060 -11.448 621 H GLY 86 H GLY 86 3.549 8.655 -16.719 622 1HA GLY 86 2HA GLY 86 5.574 7.457 -16.994 623 2HA GLY 86 1HA GLY 86 6.367 8.622 -15.933 624 H ILE 87 H ILE 87 3.418 6.934 -15.039 625 HA ILE 87 HA ILE 87 4.905 5.688 -12.787 626 HB ILE 87 HB ILE 87 1.919 5.580 -13.100 627 1HG1 ILE 87 2HG1 ILE 87 2.562 7.920 -13.582 628 2HG1 ILE 87 1HG1 ILE 87 1.762 7.794 -12.014 629 1HG2 ILE 87 1HG2 ILE 87 2.629 6.230 -10.498 630 2HG2 ILE 87 2HG2 ILE 87 3.942 5.176 -11.021 631 3HG2 ILE 87 3HG2 ILE 87 2.274 4.605 -11.087 632 1HD1 ILE 87 1HD1 ILE 87 4.276 8.928 -12.516 633 2HD1 ILE 87 2HD1 ILE 87 4.626 7.373 -11.763 634 3HD1 ILE 87 3HD1 ILE 87 3.595 8.541 -10.935 635 H LYS 88 H LYS 88 3.966 3.426 -12.177 636 HA LYS 88 HA LYS 88 4.054 1.789 -14.656 637 1HB LYS 88 2HB LYS 88 5.091 1.494 -11.988 638 2HB LYS 88 1HB LYS 88 4.023 0.138 -12.349 639 1HG LYS 88 2HG LYS 88 5.356 -0.637 -14.062 640 2HG LYS 88 1HG LYS 88 5.944 0.975 -14.474 641 1HD LYS 88 2HD LYS 88 7.730 -0.396 -13.448 642 2HD LYS 88 1HD LYS 88 7.334 0.999 -12.442 643 1HE LYS 88 2HE LYS 88 5.571 -0.859 -11.483 644 2HE LYS 88 1HE LYS 88 6.948 -1.879 -11.904 645 1HZ LYS 88 1HZ LYS 88 7.433 -1.203 -9.766 646 2HZ LYS 88 2HZ LYS 88 6.817 0.363 -9.996 647 3HZ LYS 88 3HZ LYS 88 8.302 -0.081 -10.694 648 H ILE 89 H ILE 89 2.095 1.252 -15.476 649 HA ILE 89 HA ILE 89 -0.284 1.185 -13.743 650 HB ILE 89 HB ILE 89 0.004 0.561 -16.700 651 1HG1 ILE 89 2HG1 ILE 89 -1.190 3.090 -15.625 652 2HG1 ILE 89 1HG1 ILE 89 0.568 2.951 -15.675 653 1HG2 ILE 89 1HG2 ILE 89 -2.481 1.387 -15.190 654 2HG2 ILE 89 2HG2 ILE 89 -2.036 -0.306 -15.402 655 3HG2 ILE 89 3HG2 ILE 89 -2.368 0.702 -16.810 656 1HD1 ILE 89 1HD1 ILE 89 -0.600 1.988 -18.146 657 2HD1 ILE 89 2HD1 ILE 89 0.594 3.263 -17.905 658 3HD1 ILE 89 3HD1 ILE 89 -1.126 3.638 -17.811 659 H TYR 90 H TYR 90 -1.536 -0.730 -13.376 660 HA TYR 90 HA TYR 90 -0.242 -3.285 -14.209 661 1HB TYR 90 2HB TYR 90 -0.463 -2.224 -11.514 662 2HB TYR 90 1HB TYR 90 -1.304 -3.768 -11.658 663 HD1 TYR 90 HD1 TYR 90 -0.035 -5.698 -12.851 664 HD2 TYR 90 HD2 TYR 90 1.879 -2.170 -11.313 665 HE1 TYR 90 HE1 TYR 90 2.145 -6.882 -12.845 666 HE2 TYR 90 HE2 TYR 90 4.059 -3.356 -11.307 667 HH TYR 90 HH TYR 90 4.683 -6.056 -11.164 668 H ARG 91 H ARG 91 -1.727 -4.532 -15.214 669 HA ARG 91 HA ARG 91 -4.592 -3.895 -14.920 670 1HB ARG 91 2HB ARG 91 -3.565 -4.349 -17.160 671 2HB ARG 91 1HB ARG 91 -3.258 -6.006 -16.640 672 1HG ARG 91 2HG ARG 91 -5.320 -6.464 -17.457 673 2HG ARG 91 1HG ARG 91 -5.924 -5.664 -16.005 674 1HD ARG 91 2HD ARG 91 -6.777 -3.984 -17.234 675 2HD ARG 91 1HD ARG 91 -5.203 -3.681 -17.970 676 HE ARG 91 HE ARG 91 -6.059 -4.712 -19.895 677 1HH1 ARG 91 1HH2 ARG 91 -8.422 -5.061 -17.575 678 2HH1 ARG 91 2HH2 ARG 91 -9.076 -6.542 -18.192 679 1HH2 ARG 91 2HH1 ARG 91 -6.517 -7.024 -20.483 680 2HH2 ARG 91 1HH1 ARG 91 -7.996 -7.654 -19.838 681 H ALA 92 H ALA 92 -5.830 -4.946 -13.446 682 HA ALA 92 HA ALA 92 -4.776 -7.360 -12.124 683 1HB ALA 92 1HB ALA 92 -6.583 -7.079 -10.561 684 2HB ALA 92 2HB ALA 92 -7.435 -5.988 -11.653 685 3HB ALA 92 3HB ALA 92 -5.934 -5.472 -10.885 686 H THR 93 H THR 93 -5.049 -9.207 -13.324 687 HA THR 93 HA THR 93 -7.774 -9.684 -14.464 688 HB THR 93 HB THR 93 -5.858 -9.369 -16.136 689 HG1 THR 93 HG1 THR 93 -6.668 -11.025 -17.397 690 1HG2 THR 93 1HG2 THR 93 -4.249 -10.716 -14.698 691 2HG2 THR 93 2HG2 THR 93 -4.280 -11.145 -16.408 692 3HG2 THR 93 3HG2 THR 93 -5.116 -12.156 -15.231 693 H GLY 94 H GLY 94 -5.210 -10.846 -12.457 694 1HA GLY 94 2HA GLY 94 -5.489 -13.592 -12.382 695 2HA GLY 94 1HA GLY 94 -5.269 -12.636 -10.915 696 H THR 95 H THR 95 -7.151 -12.000 -9.715 697 HA THR 95 HA THR 95 -9.836 -12.485 -10.463 698 HB THR 95 HB THR 95 -9.220 -14.852 -10.588 699 HG1 THR 95 HG1 THR 95 -10.694 -14.137 -8.275 700 1HG2 THR 95 1HG2 THR 95 -8.509 -14.760 -7.662 701 2HG2 THR 95 2HG2 THR 95 -7.287 -14.483 -8.903 702 3HG2 THR 95 3HG2 THR 95 -8.152 -16.020 -8.843 703 H SER 96 H SER 96 -7.583 -12.859 -7.716 704 HA SER 96 HA SER 96 -9.473 -11.174 -6.118 705 1HB SER 96 2HB SER 96 -7.808 -13.557 -5.321 706 2HB SER 96 1HB SER 96 -8.318 -12.371 -4.124 707 HG SER 96 HG SER 96 -9.716 -14.365 -5.200 708 H VAL 97 H VAL 97 -8.586 -9.193 -5.839 709 HA VAL 97 HA VAL 97 -5.995 -8.372 -6.429 710 HB VAL 97 HB VAL 97 -6.398 -6.546 -4.681 711 1HG1 VAL 97 1HG1 VAL 97 -7.942 -7.205 -7.098 712 2HG1 VAL 97 2HG1 VAL 97 -7.141 -5.699 -6.653 713 3HG1 VAL 97 3HG1 VAL 97 -8.751 -6.058 -6.029 714 1HG2 VAL 97 1HG2 VAL 97 -9.133 -6.847 -4.280 715 2HG2 VAL 97 2HG2 VAL 97 -7.881 -7.120 -3.068 716 3HG2 VAL 97 3HG2 VAL 97 -8.501 -8.472 -4.015 717 H GLU 98 H GLU 98 -7.170 -9.845 -3.430 718 HA GLU 98 HA GLU 98 -5.020 -9.405 -1.712 719 1HB GLU 98 2HB GLU 98 -7.222 -11.115 -1.747 720 2HB GLU 98 1HB GLU 98 -5.839 -12.207 -1.660 721 1HG GLU 98 2HG GLU 98 -5.090 -11.310 0.367 722 2HG GLU 98 1HG GLU 98 -5.944 -9.787 0.120 723 H GLU 99 H GLU 99 -5.288 -12.008 -4.151 724 HA GLU 99 HA GLU 99 -2.587 -12.952 -3.681 725 1HB GLU 99 2HB GLU 99 -4.541 -14.267 -4.707 726 2HB GLU 99 1HB GLU 99 -4.203 -13.390 -6.199 727 1HG GLU 99 2HG GLU 99 -2.931 -15.366 -6.416 728 2HG GLU 99 1HG GLU 99 -1.756 -14.172 -5.864 729 H ASN 100 H ASN 100 -4.098 -10.925 -6.205 730 HA ASN 100 HA ASN 100 -1.872 -10.531 -7.863 731 1HB ASN 100 2HB ASN 100 -4.252 -8.868 -7.144 732 2HB ASN 100 1HB ASN 100 -2.941 -8.096 -8.038 733 1HD2 ASN 100 1HD2 ASN 100 -4.742 -8.036 -9.789 734 2HD2 ASN 100 2HD2 ASN 100 -4.881 -9.395 -10.796 735 H LEU 101 H LEU 101 -2.425 -9.344 -4.636 736 HA LEU 101 HA LEU 101 -0.571 -7.152 -4.682 737 1HB LEU 101 2HB LEU 101 -2.278 -7.603 -2.875 738 2HB LEU 101 1HB LEU 101 -1.243 -8.914 -2.308 739 HG LEU 101 HG LEU 101 0.562 -7.387 -1.839 740 1HD1 LEU 101 1HD1 LEU 101 -1.144 -5.499 -3.429 741 2HD1 LEU 101 2HD1 LEU 101 0.592 -5.796 -3.539 742 3HD1 LEU 101 3HD1 LEU 101 -0.058 -4.846 -2.202 743 1HD2 LEU 101 1HD2 LEU 101 -2.172 -6.654 -0.849 744 2HD2 LEU 101 2HD2 LEU 101 -0.810 -5.629 -0.399 745 3HD2 LEU 101 3HD2 LEU 101 -0.809 -7.337 0.038 746 H LYS 102 H LYS 102 -0.097 -10.341 -3.115 747 HA LYS 102 HA LYS 102 2.711 -10.123 -2.854 748 1HB LYS 102 2HB LYS 102 2.719 -12.510 -2.501 749 2HB LYS 102 1HB LYS 102 1.223 -11.885 -1.806 750 1HG LYS 102 2HG LYS 102 -0.046 -12.572 -3.746 751 2HG LYS 102 1HG LYS 102 1.428 -13.015 -4.609 752 1HD LYS 102 2HD LYS 102 0.318 -14.339 -2.119 753 2HD LYS 102 1HD LYS 102 0.418 -15.042 -3.734 754 1HE LYS 102 2HE LYS 102 2.994 -14.445 -3.459 755 2HE LYS 102 1HE LYS 102 2.596 -14.547 -1.744 756 1HZ LYS 102 1HZ LYS 102 1.978 -16.657 -3.738 757 2HZ LYS 102 2HZ LYS 102 1.754 -16.750 -2.057 758 3HZ LYS 102 3HZ LYS 102 3.323 -16.679 -2.704 759 H LEU 103 H LEU 103 0.765 -10.722 -5.651 760 HA LEU 103 HA LEU 103 2.770 -12.055 -7.246 761 1HB LEU 103 2HB LEU 103 0.161 -10.690 -7.762 762 2HB LEU 103 1HB LEU 103 1.245 -10.938 -9.131 763 HG LEU 103 HG LEU 103 0.567 -13.178 -7.224 764 1HD1 LEU 103 1HD1 LEU 103 -1.130 -13.889 -8.901 765 2HD1 LEU 103 2HD1 LEU 103 -0.881 -12.373 -9.766 766 3HD1 LEU 103 3HD1 LEU 103 -1.552 -12.359 -8.135 767 1HD2 LEU 103 1HD2 LEU 103 2.544 -13.313 -8.800 768 2HD2 LEU 103 2HD2 LEU 103 1.401 -13.202 -10.138 769 3HD2 LEU 103 3HD2 LEU 103 1.336 -14.577 -9.035 770 H PHE 104 H PHE 104 1.759 -8.643 -6.949 771 HA PHE 104 HA PHE 104 3.478 -7.548 -8.905 772 1HB PHE 104 2HB PHE 104 1.847 -6.111 -7.902 773 2HB PHE 104 1HB PHE 104 2.465 -6.429 -6.281 774 HD1 PHE 104 HD1 PHE 104 2.941 -4.539 -9.384 775 HD2 PHE 104 HD2 PHE 104 4.634 -5.485 -5.549 776 HE1 PHE 104 HE1 PHE 104 4.504 -2.625 -9.602 777 HE2 PHE 104 HE2 PHE 104 6.199 -3.572 -5.767 778 HZ PHE 104 HZ PHE 104 6.133 -2.141 -7.794 779 H THR 105 H THR 105 4.235 -9.000 -5.870 780 HA THR 105 HA THR 105 6.665 -7.665 -5.234 781 HB THR 105 HB THR 105 5.941 -10.582 -4.815 782 HG1 THR 105 HG1 THR 105 4.575 -9.703 -3.499 783 1HG2 THR 105 1HG2 THR 105 8.146 -8.813 -3.784 784 2HG2 THR 105 2HG2 THR 105 8.252 -10.455 -4.419 785 3HG2 THR 105 3HG2 THR 105 7.563 -10.170 -2.820 786 H GLU 106 H GLU 106 6.148 -10.636 -7.170 787 HA GLU 106 HA GLU 106 8.952 -10.608 -8.039 788 1HB GLU 106 2HB GLU 106 8.369 -12.619 -9.287 789 2HB GLU 106 1HB GLU 106 7.694 -12.737 -7.661 790 1HG GLU 106 2HG GLU 106 5.565 -11.672 -8.716 791 2HG GLU 106 1HG GLU 106 6.270 -12.173 -10.254 792 H GLY 107 H GLY 107 5.855 -9.504 -9.221 793 1HA GLY 107 2HA GLY 107 5.547 -7.906 -10.967 794 2HA GLY 107 1HA GLY 107 7.221 -8.164 -11.463 795 H ASN 108 H ASN 108 4.833 -10.725 -10.949 796 HA ASN 108 HA ASN 108 5.301 -11.623 -13.729 797 1HB ASN 108 2HB ASN 108 4.789 -12.927 -11.263 798 2HB ASN 108 1HB ASN 108 3.402 -13.250 -12.303 799 1HD2 ASN 108 1HD2 ASN 108 4.007 -15.471 -12.742 800 2HD2 ASN 108 2HD2 ASN 108 5.368 -15.863 -13.677 801 H LEU 109 H LEU 109 3.132 -9.631 -12.125 802 HA LEU 109 HA LEU 109 0.704 -10.415 -13.529 803 1HB LEU 109 2HB LEU 109 1.466 -8.500 -11.494 804 2HB LEU 109 1HB LEU 109 0.468 -7.725 -12.726 805 HG LEU 109 HG LEU 109 -0.636 -10.308 -12.160 806 1HD1 LEU 109 1HD1 LEU 109 -0.993 -8.843 -9.668 807 2HD1 LEU 109 2HD1 LEU 109 0.695 -9.293 -9.915 808 3HD1 LEU 109 3HD1 LEU 109 -0.558 -10.535 -9.917 809 1HD2 LEU 109 1HD2 LEU 109 -1.621 -7.992 -12.936 810 2HD2 LEU 109 2HD2 LEU 109 -1.803 -7.707 -11.205 811 3HD2 LEU 109 3HD2 LEU 109 -2.614 -9.077 -11.963 812 H GLU 110 H GLU 110 -0.217 -7.902 -14.459 813 HA GLU 110 HA GLU 110 1.450 -7.659 -16.910 814 1HB GLU 110 2HB GLU 110 -0.895 -8.143 -17.316 815 2HB GLU 110 1HB GLU 110 -1.389 -6.788 -16.301 816 1HG GLU 110 2HG GLU 110 -0.937 -5.242 -17.916 817 2HG GLU 110 1HG GLU 110 0.488 -6.109 -18.487 818 H GLU 111 H GLU 111 2.999 -6.104 -16.616 819 HA GLU 111 HA GLU 111 2.154 -3.540 -15.332 820 1HB GLU 111 2HB GLU 111 4.474 -3.169 -14.781 821 2HB GLU 111 1HB GLU 111 4.081 -4.820 -14.297 822 1HG GLU 111 2HG GLU 111 4.924 -5.506 -16.641 823 2HG GLU 111 1HG GLU 111 5.644 -3.897 -16.708 824 H ILE 112 H ILE 112 2.028 -1.780 -16.652 825 HA ILE 112 HA ILE 112 3.490 -1.884 -19.257 826 HB ILE 112 HB ILE 112 0.821 -0.518 -18.940 827 1HG1 ILE 112 2HG1 ILE 112 1.117 -3.323 -20.013 828 2HG1 ILE 112 1HG1 ILE 112 0.800 -3.039 -18.301 829 1HG2 ILE 112 1HG2 ILE 112 2.625 -0.419 -20.937 830 2HG2 ILE 112 2HG2 ILE 112 0.887 -0.335 -21.226 831 3HG2 ILE 112 3HG2 ILE 112 1.741 -1.864 -21.429 832 1HD1 ILE 112 1HD1 ILE 112 -1.128 -1.511 -19.133 833 2HD1 ILE 112 2HD1 ILE 112 -1.358 -3.257 -19.223 834 3HD1 ILE 112 3HD1 ILE 112 -0.929 -2.349 -20.672 835 H ARG 113 H ARG 113 4.695 -0.080 -19.665 836 HA ARG 113 HA ARG 113 4.026 2.447 -18.252 837 1HB ARG 113 2HB ARG 113 6.589 2.662 -17.851 838 2HB ARG 113 1HB ARG 113 5.657 1.642 -16.754 839 1HG ARG 113 2HG ARG 113 6.334 -0.357 -17.910 840 2HG ARG 113 1HG ARG 113 7.063 0.579 -19.216 841 1HD ARG 113 2HD ARG 113 7.985 0.827 -16.348 842 2HD ARG 113 1HD ARG 113 8.678 -0.354 -17.460 843 HE ARG 113 HE ARG 113 8.901 2.603 -17.740 844 1HH1 ARG 113 2HH1 ARG 113 11.146 0.502 -17.335 845 2HH1 ARG 113 1HH1 ARG 113 11.828 0.471 -18.927 846 1HH2 ARG 113 1HH2 ARG 113 9.134 2.092 -20.397 847 2HH2 ARG 113 2HH2 ARG 113 10.687 1.372 -20.662 848 H SER 114 H SER 114 5.715 4.196 -19.134 849 HA SER 114 HA SER 114 5.936 3.738 -22.084 850 1HB SER 114 2HB SER 114 5.072 6.122 -20.481 851 2HB SER 114 1HB SER 114 5.848 6.375 -22.042 852 HG SER 114 HG SER 114 3.680 4.592 -21.646 853 HA PRO 115 HA PRO 115 10.210 4.674 -21.738 854 1HB PRO 115 2HB PRO 115 10.650 5.733 -24.237 855 2HB PRO 115 1HB PRO 115 10.402 4.005 -23.937 856 1HG PRO 115 2HG PRO 115 8.520 5.991 -25.124 857 2HG PRO 115 1HG PRO 115 8.603 4.239 -25.369 858 1HD PRO 115 2HD PRO 115 6.754 5.594 -23.709 859 2HD PRO 115 1HD PRO 115 7.070 3.846 -23.710 860 H GLY 116 H GLY 116 11.415 6.397 -20.952 861 1HA GLY 116 2HA GLY 116 10.712 9.154 -21.767 862 2HA GLY 116 1HA GLY 116 10.569 8.773 -20.050 863 H SER 117 H SER 117 12.369 9.118 -18.848 864 HA SER 117 HA SER 117 15.037 8.709 -20.056 865 1HB SER 117 2HB SER 117 15.573 11.052 -18.864 866 2HB SER 117 1HB SER 117 15.066 10.956 -20.548 867 HG SER 117 HG SER 117 13.882 12.252 -18.628 868 H GLY 118 H GLY 118 16.693 8.457 -18.436 869 1HA GLY 118 2HA GLY 118 15.789 7.246 -15.997 870 2HA GLY 118 1HA GLY 118 17.464 7.659 -16.366 871 H ARG 119 H ARG 119 16.278 8.028 -13.793 872 HA ARG 119 HA ARG 119 16.563 10.984 -13.579 873 1HB ARG 119 2HB ARG 119 14.104 9.745 -13.354 874 2HB ARG 119 1HB ARG 119 14.638 9.841 -11.677 875 1HG ARG 119 2HG ARG 119 15.293 12.320 -12.906 876 2HG ARG 119 1HG ARG 119 13.627 11.945 -13.347 877 1HD ARG 119 2HD ARG 119 13.163 11.477 -10.919 878 2HD ARG 119 1HD ARG 119 14.785 12.061 -10.549 879 HE ARG 119 HE ARG 119 13.972 14.252 -10.819 880 1HH1 ARG 119 1HH2 ARG 119 11.191 13.030 -10.407 881 2HH1 ARG 119 2HH2 ARG 119 10.332 13.714 -11.748 882 1HH2 ARG 119 2HH1 ARG 119 13.204 14.684 -13.432 883 2HH2 ARG 119 1HH1 ARG 119 11.472 14.652 -13.458 884 H GLY 120 H GLY 120 17.326 11.665 -11.465 885 1HA GLY 120 2HA GLY 120 17.874 9.862 -9.316 886 2HA GLY 120 1HA GLY 120 19.316 9.999 -10.326 887 H ARG 121 H ARG 121 19.123 10.937 -7.608 888 HA ARG 121 HA ARG 121 19.270 13.895 -8.039 889 1HB ARG 121 2HB ARG 121 18.031 12.279 -5.967 890 2HB ARG 121 1HB ARG 121 19.209 13.396 -5.277 891 1HG ARG 121 2HG ARG 121 16.960 14.151 -7.167 892 2HG ARG 121 1HG ARG 121 16.988 14.455 -5.430 893 1HD ARG 121 2HD ARG 121 19.348 15.418 -6.945 894 2HD ARG 121 1HD ARG 121 17.834 16.266 -7.260 895 HE ARG 121 HE ARG 121 19.401 16.529 -4.878 896 1HH1 ARG 121 1HH2 ARG 121 16.500 17.342 -6.330 897 2HH1 ARG 121 2HH2 ARG 121 15.642 17.658 -4.858 898 1HH2 ARG 121 2HH1 ARG 121 18.157 16.421 -2.817 899 2HH2 ARG 121 1HH1 ARG 121 16.580 17.136 -2.870 900 H ARG 122 H ARG 122 21.291 11.471 -8.163 901 HA ARG 122 HA ARG 122 23.552 11.146 -7.621 902 1HB ARG 122 2HB ARG 122 23.240 14.147 -7.483 903 2HB ARG 122 1HB ARG 122 24.794 13.370 -7.183 904 1HG ARG 122 2HG ARG 122 24.896 12.470 -9.373 905 2HG ARG 122 1HG ARG 122 23.179 12.759 -9.660 906 1HD ARG 122 2HD ARG 122 23.635 15.226 -9.483 907 2HD ARG 122 1HD ARG 122 25.356 14.852 -9.405 908 HE ARG 122 HE ARG 122 23.762 14.876 -11.802 909 1HH1 ARG 122 2HH1 ARG 122 26.808 14.317 -10.543 910 2HH1 ARG 122 1HH1 ARG 122 27.338 13.257 -11.806 911 1HH2 ARG 122 1HH2 ARG 122 24.208 13.027 -13.284 912 2HH2 ARG 122 2HH2 ARG 122 25.865 12.527 -13.360 913 H ARG 123 H ARG 123 23.624 9.988 -5.715 914 HA ARG 123 HA ARG 123 23.768 11.598 -3.203 915 1HB ARG 123 2HB ARG 123 21.572 10.507 -3.260 916 2HB ARG 123 1HB ARG 123 22.337 8.948 -3.575 917 1HG ARG 123 2HG ARG 123 22.841 8.645 -1.393 918 2HG ARG 123 1HG ARG 123 23.463 10.288 -1.233 919 1HD ARG 123 2HD ARG 123 20.882 10.907 -1.388 920 2HD ARG 123 1HD ARG 123 20.690 9.259 -0.790 921 HE ARG 123 HE ARG 123 22.564 10.307 0.925 922 1HH1 ARG 123 2HH1 ARG 123 19.756 9.759 1.813 923 2HH1 ARG 123 1HH1 ARG 123 19.234 11.320 2.348 924 1HH2 ARG 123 1HH2 ARG 123 21.785 13.023 0.733 925 2HH2 ARG 123 2HH2 ARG 123 20.381 13.169 1.736 926 H ARG 124 HN ARG 124 25.244 10.765 -1.645 927 HA ARG 124 HA ARG 124 27.144 9.595 -0.915 928 1HB ARG 124 2HB ARG 124 25.549 7.634 -2.401 929 2HB ARG 124 1HB ARG 124 27.276 7.272 -2.421 930 1HG ARG 124 2HG ARG 124 26.046 8.088 0.179 931 2HG ARG 124 1HG ARG 124 25.724 6.458 -0.414 932 1HD ARG 124 2HD ARG 124 28.377 6.540 -0.846 933 2HD ARG 124 1HD ARG 124 28.284 7.668 0.507 934 HE ARG 124 HE ARG 124 28.134 4.869 0.786 935 1HH1 ARG 124 1HH2 ARG 124 28.115 7.056 2.967 936 2HH1 ARG 124 2HH2 ARG 124 26.654 6.651 3.805 937 1HH2 ARG 124 1HH1 ARG 124 25.464 4.597 1.277 938 2HH2 ARG 124 2HH1 ARG 124 25.154 5.257 2.848 Start of MODEL 9 1 1H MET 1 1H MET 1 8.567 2.205 -3.321 2 2H MET 1 2H MET 1 8.982 3.331 -4.524 3 3H MET 1 3H MET 1 9.740 1.812 -4.481 4 HA MET 1 HA MET 1 7.490 2.517 -5.919 5 1HB MET 1 2HB MET 1 8.658 -0.196 -5.223 6 2HB MET 1 1HB MET 1 7.551 0.120 -6.559 7 1HG MET 1 2HG MET 1 9.141 1.273 -7.790 8 2HG MET 1 1HG MET 1 10.038 1.773 -6.356 9 1HE MET 1 1HE MET 1 9.537 -2.571 -7.243 10 2HE MET 1 2HE MET 1 9.569 -1.707 -8.777 11 3HE MET 1 3HE MET 1 8.420 -1.231 -7.531 12 H LYS 2 H LYS 2 5.359 2.528 -5.403 13 HA LYS 2 HA LYS 2 4.487 0.904 -3.047 14 1HB LYS 2 2HB LYS 2 3.974 3.669 -3.848 15 2HB LYS 2 1HB LYS 2 2.484 2.773 -3.550 16 1HG LYS 2 2HG LYS 2 3.997 1.943 -1.441 17 2HG LYS 2 1HG LYS 2 4.607 3.584 -1.655 18 1HD LYS 2 2HD LYS 2 1.970 4.080 -1.883 19 2HD LYS 2 1HD LYS 2 1.898 2.661 -0.838 20 1HE LYS 2 2HE LYS 2 3.874 4.003 0.407 21 2HE LYS 2 1HE LYS 2 2.996 5.370 -0.280 22 1HZ LYS 2 1HZ LYS 2 2.286 4.530 2.000 23 2HZ LYS 2 2HZ LYS 2 1.594 3.215 1.176 24 3HZ LYS 2 3HZ LYS 2 1.066 4.798 0.854 25 H ILE 3 H ILE 3 2.489 -0.247 -3.249 26 HA ILE 3 HA ILE 3 1.554 -0.558 -6.076 27 HB ILE 3 HB ILE 3 1.695 -2.664 -3.896 28 1HG1 ILE 3 2HG1 ILE 3 3.172 -2.969 -6.445 29 2HG1 ILE 3 1HG1 ILE 3 3.775 -1.703 -5.376 30 1HG2 ILE 3 1HG2 ILE 3 0.768 -4.180 -5.441 31 2HG2 ILE 3 2HG2 ILE 3 1.100 -3.126 -6.815 32 3HG2 ILE 3 3HG2 ILE 3 -0.195 -2.723 -5.687 33 1HD1 ILE 3 1HD1 ILE 3 4.061 -3.259 -3.564 34 2HD1 ILE 3 2HD1 ILE 3 4.798 -3.988 -4.990 35 3HD1 ILE 3 3HD1 ILE 3 3.210 -4.527 -4.445 36 H ALA 4 H ALA 4 -0.319 0.659 -6.038 37 HA ALA 4 HA ALA 4 -2.211 0.265 -3.774 38 1HB ALA 4 1HB ALA 4 -3.370 2.230 -4.637 39 2HB ALA 4 2HB ALA 4 -2.358 2.232 -6.081 40 3HB ALA 4 3HB ALA 4 -1.649 2.596 -4.507 41 H ILE 5 H ILE 5 -3.364 -1.601 -4.179 42 HA ILE 5 HA ILE 5 -4.235 -2.226 -6.925 43 HB ILE 5 HB ILE 5 -4.980 -3.726 -4.409 44 1HG1 ILE 5 2HG1 ILE 5 -2.432 -3.877 -6.049 45 2HG1 ILE 5 1HG1 ILE 5 -2.569 -3.477 -4.336 46 1HG2 ILE 5 1HG2 ILE 5 -4.488 -4.670 -7.247 47 2HG2 ILE 5 2HG2 ILE 5 -6.082 -4.257 -6.615 48 3HG2 ILE 5 3HG2 ILE 5 -5.180 -5.603 -5.921 49 1HD1 ILE 5 1HD1 ILE 5 -2.911 -6.136 -5.690 50 2HD1 ILE 5 2HD1 ILE 5 -3.754 -5.820 -4.174 51 3HD1 ILE 5 3HD1 ILE 5 -1.992 -5.736 -4.238 52 H ALA 6 H ALA 6 -6.144 -1.488 -7.707 53 HA ALA 6 HA ALA 6 -8.037 -0.078 -6.037 54 1HB ALA 6 1HB ALA 6 -9.183 -0.983 -8.540 55 2HB ALA 6 2HB ALA 6 -7.558 -0.350 -8.801 56 3HB ALA 6 3HB ALA 6 -8.785 0.659 -8.033 57 H SER 7 H SER 7 -10.117 -0.782 -5.354 58 HA SER 7 HA SER 7 -11.006 -3.507 -5.971 59 1HB SER 7 2HB SER 7 -10.789 -4.441 -3.810 60 2HB SER 7 1HB SER 7 -9.244 -3.640 -4.084 61 HG SER 7 HG SER 7 -9.961 -2.993 -2.094 62 H SER 8 H SER 8 -12.975 -3.954 -4.306 63 HA SER 8 HA SER 8 -14.481 -1.397 -3.973 64 1HB SER 8 2HB SER 8 -15.161 -3.762 -5.620 65 2HB SER 8 1HB SER 8 -16.468 -3.145 -4.615 66 HG SER 8 HG SER 8 -16.395 -2.096 -6.639 67 H GLY 9 H GLY 9 -13.102 -3.729 -2.316 68 1HA GLY 9 2HA GLY 9 -15.148 -3.647 -0.186 69 2HA GLY 9 1HA GLY 9 -14.684 -5.250 -0.760 70 H THR 10 H THR 10 -14.148 -4.876 1.822 71 HA THR 10 HA THR 10 -11.574 -3.640 2.336 72 HB THR 10 HB THR 10 -11.818 -5.184 4.470 73 HG1 THR 10 HG1 THR 10 -14.270 -5.350 4.650 74 1HG2 THR 10 1HG2 THR 10 -14.030 -3.308 4.577 75 2HG2 THR 10 2HG2 THR 10 -12.634 -2.597 3.768 76 3HG2 THR 10 3HG2 THR 10 -12.472 -3.242 5.401 77 H ASP 11 H ASP 11 -12.675 -7.008 1.902 78 HA ASP 11 HA ASP 11 -10.250 -7.826 0.626 79 1HB ASP 11 2HB ASP 11 -9.378 -7.481 2.961 80 2HB ASP 11 1HB ASP 11 -10.492 -8.734 3.509 81 H LEU 12 H LEU 12 -12.711 -9.071 2.914 82 HA LEU 12 HA LEU 12 -12.917 -11.673 1.810 83 1HB LEU 12 2HB LEU 12 -13.980 -11.001 3.945 84 2HB LEU 12 1HB LEU 12 -15.121 -9.995 3.051 85 HG LEU 12 HG LEU 12 -14.896 -12.822 2.167 86 1HD1 LEU 12 1HD1 LEU 12 -15.739 -11.990 4.906 87 2HD1 LEU 12 2HD1 LEU 12 -15.024 -13.508 4.363 88 3HD1 LEU 12 3HD1 LEU 12 -16.736 -13.189 4.083 89 1HD2 LEU 12 1HD2 LEU 12 -17.552 -11.929 2.707 90 2HD2 LEU 12 2HD2 LEU 12 -16.784 -12.154 1.135 91 3HD2 LEU 12 3HD2 LEU 12 -16.687 -10.592 1.949 92 H GLY 13 H GLY 13 -14.228 -8.602 0.732 93 1HA GLY 13 2HA GLY 13 -15.429 -10.033 -1.608 94 2HA GLY 13 1HA GLY 13 -16.185 -8.610 -0.889 95 H SER 14 H SER 14 -12.745 -8.614 -0.983 96 HA SER 14 HA SER 14 -12.735 -6.297 -2.748 97 1HB SER 14 2HB SER 14 -10.309 -6.317 -2.391 98 2HB SER 14 1HB SER 14 -11.142 -6.538 -0.854 99 HG SER 14 HG SER 14 -9.340 -8.022 -1.382 100 H GLU 15 H GLU 15 -13.703 -7.393 -4.643 101 HA GLU 15 HA GLU 15 -12.203 -9.504 -5.985 102 1HB GLU 15 2HB GLU 15 -14.783 -8.699 -6.129 103 2HB GLU 15 1HB GLU 15 -14.129 -7.858 -7.534 104 1HG GLU 15 2HG GLU 15 -13.584 -9.822 -8.632 105 2HG GLU 15 1HG GLU 15 -13.393 -10.730 -7.131 106 H VAL 16 H VAL 16 -11.413 -6.374 -5.522 107 HA VAL 16 HA VAL 16 -9.760 -5.059 -6.569 108 HB VAL 16 HB VAL 16 -9.725 -6.988 -8.883 109 1HG1 VAL 16 1HG1 VAL 16 -8.189 -4.736 -7.995 110 2HG1 VAL 16 2HG1 VAL 16 -7.960 -5.712 -9.446 111 3HG1 VAL 16 3HG1 VAL 16 -7.163 -6.169 -7.940 112 1HG2 VAL 16 1HG2 VAL 16 -9.340 -8.646 -7.368 113 2HG2 VAL 16 2HG2 VAL 16 -9.030 -7.506 -6.060 114 3HG2 VAL 16 3HG2 VAL 16 -7.752 -7.898 -7.209 115 H SER 17 H SER 17 -12.810 -5.421 -7.359 116 HA SER 17 HA SER 17 -14.294 -4.248 -8.744 117 1HB SER 17 2HB SER 17 -12.061 -2.524 -8.272 118 2HB SER 17 1HB SER 17 -12.551 -2.333 -9.952 119 HG SER 17 HG SER 17 -14.356 -1.452 -9.313 120 H ARG 18 H ARG 18 -14.716 -3.757 -11.083 121 HA ARG 18 HA ARG 18 -12.982 -5.459 -12.830 122 1HB ARG 18 2HB ARG 18 -15.690 -5.751 -12.289 123 2HB ARG 18 1HB ARG 18 -15.677 -4.897 -13.832 124 1HG ARG 18 2HG ARG 18 -15.539 -7.110 -14.546 125 2HG ARG 18 1HG ARG 18 -13.832 -6.672 -14.461 126 1HD ARG 18 2HD ARG 18 -13.442 -8.142 -12.791 127 2HD ARG 18 1HD ARG 18 -14.857 -7.599 -11.889 128 HE ARG 18 HE ARG 18 -15.379 -9.343 -14.216 129 1HH1 ARG 18 2HH1 ARG 18 -13.859 -10.449 -11.669 130 2HH1 ARG 18 1HH1 ARG 18 -15.185 -11.237 -10.880 131 1HH2 ARG 18 1HH2 ARG 18 -17.603 -9.706 -12.839 132 2HH2 ARG 18 2HH2 ARG 18 -17.306 -10.817 -11.544 133 H PHE 19 H PHE 19 -15.030 -2.546 -12.739 134 HA PHE 19 HA PHE 19 -13.579 -1.556 -15.155 135 1HB PHE 19 2HB PHE 19 -16.133 -0.447 -13.961 136 2HB PHE 19 1HB PHE 19 -15.455 -0.102 -15.552 137 HD1 PHE 19 HD1 PHE 19 -14.928 -2.353 -16.971 138 HD2 PHE 19 HD2 PHE 19 -17.897 -1.964 -13.889 139 HE1 PHE 19 HE1 PHE 19 -16.166 -4.282 -17.920 140 HE2 PHE 19 HE2 PHE 19 -19.135 -3.893 -14.839 141 HZ PHE 19 HZ PHE 19 -18.270 -5.052 -16.854 142 H PHE 20 H PHE 20 -11.746 -1.019 -13.692 143 HA PHE 20 HA PHE 20 -11.722 0.593 -11.454 144 1HB PHE 20 2HB PHE 20 -9.692 -0.285 -12.633 145 2HB PHE 20 1HB PHE 20 -9.882 0.998 -13.830 146 HD1 PHE 20 HD1 PHE 20 -8.619 0.135 -10.565 147 HD2 PHE 20 HD2 PHE 20 -9.891 3.425 -13.020 148 HE1 PHE 20 HE1 PHE 20 -7.429 1.714 -9.066 149 HE2 PHE 20 HE2 PHE 20 -8.700 5.003 -11.521 150 HZ PHE 20 HZ PHE 20 -7.469 4.148 -9.544 151 H GLY 21 H GLY 21 -12.520 2.584 -10.989 152 1HA GLY 21 2HA GLY 21 -12.320 4.855 -12.697 153 2HA GLY 21 1HA GLY 21 -13.934 4.168 -12.880 154 H ARG 22 H ARG 22 -14.990 3.629 -10.637 155 HA ARG 22 HA ARG 22 -14.450 5.947 -8.822 156 1HB ARG 22 2HB ARG 22 -17.106 4.543 -8.941 157 2HB ARG 22 1HB ARG 22 -16.747 6.205 -8.471 158 1HG ARG 22 2HG ARG 22 -15.945 6.476 -10.939 159 2HG ARG 22 1HG ARG 22 -16.894 5.019 -11.234 160 1HD ARG 22 2HD ARG 22 -18.911 6.061 -10.697 161 2HD ARG 22 1HD ARG 22 -18.125 7.296 -9.712 162 HE ARG 22 HE ARG 22 -17.574 7.352 -12.621 163 1HH1 ARG 22 2HH1 ARG 22 -17.941 9.174 -9.865 164 2HH1 ARG 22 1HH1 ARG 22 -18.902 10.422 -10.586 165 1HH2 ARG 22 1HH2 ARG 22 -19.367 8.710 -13.565 166 2HH2 ARG 22 2HH2 ARG 22 -19.709 10.159 -12.681 167 H ALA 23 H ALA 23 -13.604 2.930 -8.916 168 HA ALA 23 HA ALA 23 -14.703 1.416 -6.878 169 1HB ALA 23 1HB ALA 23 -11.764 1.550 -6.713 170 2HB ALA 23 2HB ALA 23 -12.383 1.286 -8.343 171 3HB ALA 23 3HB ALA 23 -12.811 0.170 -7.046 172 HA PRO 24 HA PRO 24 -14.072 4.424 -3.559 173 1HB PRO 24 2HB PRO 24 -16.126 3.447 -2.019 174 2HB PRO 24 1HB PRO 24 -16.361 4.598 -3.346 175 1HG PRO 24 2HG PRO 24 -16.996 1.689 -3.253 176 2HG PRO 24 1HG PRO 24 -17.717 2.964 -4.249 177 1HD PRO 24 2HD PRO 24 -15.782 1.060 -5.096 178 2HD PRO 24 1HD PRO 24 -16.310 2.498 -5.995 179 H TYR 25 H TYR 25 -12.388 2.099 -3.772 180 HA TYR 25 HA TYR 25 -11.925 1.570 -0.935 181 1HB TYR 25 2HB TYR 25 -13.056 -0.506 -2.779 182 2HB TYR 25 1HB TYR 25 -11.868 -1.006 -1.575 183 HD1 TYR 25 HD1 TYR 25 -15.308 -0.176 -2.170 184 HD2 TYR 25 HD2 TYR 25 -12.277 -0.299 0.875 185 HE1 TYR 25 HE1 TYR 25 -17.066 -0.146 -0.419 186 HE2 TYR 25 HE2 TYR 25 -14.035 -0.268 2.626 187 HH TYR 25 HH TYR 25 -17.495 -0.259 1.756 188 H PHE 26 H PHE 26 -10.069 2.842 -2.009 189 HA PHE 26 HA PHE 26 -8.306 1.325 -3.779 190 1HB PHE 26 2HB PHE 26 -8.160 3.993 -2.395 191 2HB PHE 26 1HB PHE 26 -6.717 3.300 -3.137 192 HD1 PHE 26 HD1 PHE 26 -6.920 2.493 -5.595 193 HD2 PHE 26 HD2 PHE 26 -9.729 5.146 -3.712 194 HE1 PHE 26 HE1 PHE 26 -7.702 3.247 -7.825 195 HE2 PHE 26 HE2 PHE 26 -10.511 5.900 -5.944 196 HZ PHE 26 HZ PHE 26 -9.497 4.950 -8.000 197 H MET 27 H MET 27 -6.718 -0.049 -3.135 198 HA MET 27 HA MET 27 -6.126 -0.203 -0.217 199 1HB MET 27 2HB MET 27 -6.933 -2.227 -1.676 200 2HB MET 27 1HB MET 27 -5.259 -2.261 -2.232 201 1HG MET 27 2HG MET 27 -4.502 -2.380 0.133 202 2HG MET 27 1HG MET 27 -6.188 -2.428 0.651 203 1HE MET 27 1HE MET 27 -6.185 -5.232 1.760 204 2HE MET 27 2HE MET 27 -7.385 -5.655 0.541 205 3HE MET 27 3HE MET 27 -7.293 -4.000 1.140 206 H ILE 28 H ILE 28 -4.429 1.215 0.136 207 HA ILE 28 HA ILE 28 -2.211 1.326 -1.817 208 HB ILE 28 HB ILE 28 -2.221 2.781 0.814 209 1HG1 ILE 28 2HG1 ILE 28 -4.483 3.101 -0.071 210 2HG1 ILE 28 1HG1 ILE 28 -3.551 4.583 -0.288 211 1HG2 ILE 28 1HG2 ILE 28 -1.444 4.502 -1.171 212 2HG2 ILE 28 2HG2 ILE 28 -0.912 2.953 -1.828 213 3HG2 ILE 28 3HG2 ILE 28 -0.335 3.487 -0.249 214 1HD1 ILE 28 1HD1 ILE 28 -4.513 2.633 -2.331 215 2HD1 ILE 28 2HD1 ILE 28 -2.958 3.413 -2.620 216 3HD1 ILE 28 3HD1 ILE 28 -4.410 4.392 -2.418 217 H VAL 29 H VAL 29 -0.597 -0.147 -1.626 218 HA VAL 29 HA VAL 29 0.092 -1.098 1.127 219 HB VAL 29 HB VAL 29 0.612 -2.645 -1.415 220 1HG1 VAL 29 1HG1 VAL 29 1.849 -3.621 0.299 221 2HG1 VAL 29 2HG1 VAL 29 0.325 -4.497 0.449 222 3HG1 VAL 29 3HG1 VAL 29 0.683 -3.158 1.541 223 1HG2 VAL 29 1HG2 VAL 29 -1.921 -2.191 0.033 224 2HG2 VAL 29 2HG2 VAL 29 -1.524 -3.891 -0.221 225 3HG2 VAL 29 3HG2 VAL 29 -1.654 -2.801 -1.601 226 H GLU 30 H GLU 30 2.403 -1.643 1.420 227 HA GLU 30 HA GLU 30 4.229 -0.319 -0.523 228 1HB GLU 30 2HB GLU 30 3.563 1.188 1.484 229 2HB GLU 30 1HB GLU 30 4.562 0.098 2.447 230 1HG GLU 30 2HG GLU 30 6.053 0.726 0.115 231 2HG GLU 30 1HG GLU 30 5.403 2.246 0.729 232 H MET 31 H MET 31 4.808 -2.539 -1.056 233 HA MET 31 HA MET 31 6.084 -4.124 1.098 234 1HB MET 31 2HB MET 31 4.565 -5.227 -0.555 235 2HB MET 31 1HB MET 31 5.706 -4.807 -1.833 236 1HG MET 31 2HG MET 31 7.446 -5.989 -0.223 237 2HG MET 31 1HG MET 31 6.001 -6.789 0.395 238 1HE MET 31 1HE MET 31 4.411 -8.046 -2.978 239 2HE MET 31 2HE MET 31 4.175 -6.619 -1.972 240 3HE MET 31 3HE MET 31 4.285 -8.208 -1.221 241 H LYS 32 H LYS 32 8.299 -4.485 1.190 242 HA LYS 32 HA LYS 32 9.981 -2.649 -0.365 243 1HB LYS 32 2HB LYS 32 10.548 -2.916 1.963 244 2HB LYS 32 1HB LYS 32 10.596 -4.672 1.805 245 1HG LYS 32 2HG LYS 32 12.501 -4.483 0.246 246 2HG LYS 32 1HG LYS 32 12.459 -2.728 0.409 247 1HD LYS 32 2HD LYS 32 14.079 -3.270 1.986 248 2HD LYS 32 1HD LYS 32 12.627 -3.272 2.988 249 1HE LYS 32 2HE LYS 32 13.438 -5.337 3.586 250 2HE LYS 32 1HE LYS 32 12.550 -5.823 2.142 251 1HZ LYS 32 1HZ LYS 32 15.141 -6.321 2.540 252 2HZ LYS 32 2HZ LYS 32 15.242 -4.861 1.677 253 3HZ LYS 32 3HZ LYS 32 14.431 -6.195 1.005 254 H LYS 33 H LYS 33 10.907 -5.972 0.413 255 HA LYS 33 HA LYS 33 11.117 -6.530 -2.515 256 1HB LYS 33 2HB LYS 33 13.271 -6.153 -0.707 257 2HB LYS 33 1HB LYS 33 13.202 -7.879 -1.062 258 1HG LYS 33 2HG LYS 33 12.753 -6.475 -3.504 259 2HG LYS 33 1HG LYS 33 14.174 -5.771 -2.732 260 1HD LYS 33 2HD LYS 33 14.240 -8.648 -2.478 261 2HD LYS 33 1HD LYS 33 14.046 -8.195 -4.172 262 1HE LYS 33 2HE LYS 33 16.011 -6.829 -4.127 263 2HE LYS 33 1HE LYS 33 16.115 -6.923 -2.368 264 1HZ LYS 33 1HZ LYS 33 17.330 -8.592 -4.190 265 2HZ LYS 33 2HZ LYS 33 16.069 -9.515 -3.522 266 3HZ LYS 33 3HZ LYS 33 17.239 -8.811 -2.511 267 H GLY 34 H GLY 34 9.007 -7.380 -0.791 268 1HA GLY 34 2HA GLY 34 8.055 -9.687 -1.176 269 2HA GLY 34 1HA GLY 34 9.601 -10.309 -0.598 270 H ASN 35 H ASN 35 8.213 -7.498 0.916 271 HA ASN 35 HA ASN 35 7.011 -9.099 3.090 272 1HB ASN 35 2HB ASN 35 9.316 -7.182 3.568 273 2HB ASN 35 1HB ASN 35 8.382 -7.993 4.825 274 1HD2 ASN 35 1HD2 ASN 35 11.152 -8.293 2.861 275 2HD2 ASN 35 2HD2 ASN 35 11.434 -9.950 3.096 276 H ILE 36 H ILE 36 5.028 -8.103 3.027 277 HA ILE 36 HA ILE 36 4.641 -5.335 2.362 278 HB ILE 36 HB ILE 36 2.712 -6.960 4.018 279 1HG1 ILE 36 2HG1 ILE 36 2.067 -7.339 1.320 280 2HG1 ILE 36 1HG1 ILE 36 3.811 -7.600 1.395 281 1HG2 ILE 36 1HG2 ILE 36 2.224 -5.062 1.712 282 2HG2 ILE 36 2HG2 ILE 36 2.325 -4.515 3.385 283 3HG2 ILE 36 3HG2 ILE 36 1.057 -5.641 2.901 284 1HD1 ILE 36 1HD1 ILE 36 2.422 -8.838 3.644 285 2HD1 ILE 36 2HD1 ILE 36 3.563 -9.552 2.504 286 3HD1 ILE 36 3HD1 ILE 36 1.850 -9.453 2.093 287 H GLU 37 H GLU 37 5.316 -3.680 3.624 288 HA GLU 37 HA GLU 37 5.065 -4.000 6.589 289 1HB GLU 37 2HB GLU 37 7.349 -3.304 4.969 290 2HB GLU 37 1HB GLU 37 6.937 -1.953 6.026 291 1HG GLU 37 2HG GLU 37 7.889 -3.044 7.745 292 2HG GLU 37 1HG GLU 37 6.678 -4.316 7.578 293 H SER 38 H SER 38 3.065 -2.964 4.711 294 HA SER 38 HA SER 38 2.245 -0.630 6.120 295 1HB SER 38 2HB SER 38 4.292 0.015 4.418 296 2HB SER 38 1HB SER 38 2.891 0.286 3.387 297 HG SER 38 HG SER 38 2.626 2.060 4.466 298 H SER 39 H SER 39 0.104 -1.137 5.990 299 HA SER 39 HA SER 39 -1.071 -1.445 3.271 300 1HB SER 39 2HB SER 39 -2.562 -3.125 4.975 301 2HB SER 39 1HB SER 39 -1.512 -3.618 3.650 302 HG SER 39 HG SER 39 -0.959 -4.519 5.733 303 H GLU 40 H GLU 40 -2.358 0.340 3.185 304 HA GLU 40 HA GLU 40 -4.173 0.829 5.511 305 1HB GLU 40 2HB GLU 40 -2.249 2.604 4.266 306 2HB GLU 40 1HB GLU 40 -3.880 3.261 4.125 307 1HG GLU 40 2HG GLU 40 -4.220 2.987 6.543 308 2HG GLU 40 1HG GLU 40 -2.611 2.283 6.701 309 H VAL 41 H VAL 41 -6.317 0.981 4.980 310 HA VAL 41 HA VAL 41 -7.002 0.803 2.085 311 HB VAL 41 HB VAL 41 -8.922 0.364 4.370 312 1HG1 VAL 41 1HG1 VAL 41 -10.020 0.411 2.272 313 2HG1 VAL 41 2HG1 VAL 41 -9.781 -1.306 2.594 314 3HG1 VAL 41 3HG1 VAL 41 -8.712 -0.462 1.473 315 1HG2 VAL 41 1HG2 VAL 41 -7.262 -1.827 3.115 316 2HG2 VAL 41 2HG2 VAL 41 -8.256 -1.907 4.569 317 3HG2 VAL 41 3HG2 VAL 41 -6.742 -1.002 4.583 318 H ILE 42 H ILE 42 -8.242 2.392 1.121 319 HA ILE 42 HA ILE 42 -9.385 4.515 2.874 320 HB ILE 42 HB ILE 42 -7.233 5.370 2.099 321 1HG1 ILE 42 2HG1 ILE 42 -8.805 6.870 0.169 322 2HG1 ILE 42 1HG1 ILE 42 -9.733 6.568 1.639 323 1HG2 ILE 42 1HG2 ILE 42 -6.412 4.648 0.132 324 2HG2 ILE 42 2HG2 ILE 42 -7.644 5.597 -0.700 325 3HG2 ILE 42 3HG2 ILE 42 -7.964 3.916 -0.274 326 1HD1 ILE 42 1HD1 ILE 42 -8.521 8.618 1.985 327 2HD1 ILE 42 2HD1 ILE 42 -7.017 7.889 1.422 328 3HD1 ILE 42 3HD1 ILE 42 -7.725 7.379 2.954 329 H GLU 43 H GLU 43 -11.536 4.261 2.431 330 HA GLU 43 HA GLU 43 -12.501 3.378 -0.164 331 1HB GLU 43 2HB GLU 43 -14.313 4.750 1.780 332 2HB GLU 43 1HB GLU 43 -14.592 3.296 0.822 333 1HG GLU 43 2HG GLU 43 -14.228 2.208 2.788 334 2HG GLU 43 1HG GLU 43 -12.525 2.488 2.420 335 H ASN 44 H ASN 44 -14.267 4.785 -1.274 336 HA ASN 44 HA ASN 44 -13.486 7.665 -1.211 337 1HB ASN 44 2HB ASN 44 -12.685 5.964 -3.215 338 2HB ASN 44 1HB ASN 44 -14.191 6.609 -3.870 339 1HD2 ASN 44 1HD2 ASN 44 -10.931 7.224 -3.843 340 2HD2 ASN 44 2HD2 ASN 44 -10.957 8.909 -4.046 341 HA PRO 45 HA PRO 45 -18.085 6.951 -1.202 342 1HB PRO 45 2HB PRO 45 -18.542 8.074 1.265 343 2HB PRO 45 1HB PRO 45 -18.214 6.350 1.022 344 1HG PRO 45 2HG PRO 45 -16.417 8.469 2.111 345 2HG PRO 45 1HG PRO 45 -16.408 6.724 2.416 346 1HD PRO 45 2HD PRO 45 -14.652 8.110 0.683 347 2HD PRO 45 1HD PRO 45 -14.881 6.350 0.747 348 H SER 46 H SER 46 -19.768 8.786 -0.896 349 HA SER 46 HA SER 46 -20.424 10.905 -1.703 350 1HB SER 46 2HB SER 46 -18.488 11.269 0.511 351 2HB SER 46 1HB SER 46 -18.787 12.696 -0.476 352 HG SER 46 HG SER 46 -20.833 11.060 0.618 353 H ALA 47 H ALA 47 -18.482 9.531 -3.375 354 HA ALA 47 HA ALA 47 -16.462 11.465 -4.197 355 1HB ALA 47 1HB ALA 47 -17.350 8.763 -5.041 356 2HB ALA 47 2HB ALA 47 -15.718 9.402 -4.847 357 3HB ALA 47 3HB ALA 47 -16.639 9.765 -6.307 358 H SER 48 H SER 48 -19.805 10.974 -4.866 359 HA SER 48 HA SER 48 -19.705 12.405 -7.443 360 1HB SER 48 2HB SER 48 -21.454 10.930 -7.610 361 2HB SER 48 1HB SER 48 -21.752 10.926 -5.874 362 HG SER 48 HG SER 48 -23.364 12.005 -7.245 363 H ALA 49 H ALA 49 -22.019 12.995 -4.820 364 HA ALA 49 HA ALA 49 -22.816 15.053 -4.000 365 1HB ALA 49 1HB ALA 49 -20.954 16.530 -3.146 366 2HB ALA 49 2HB ALA 49 -19.810 15.429 -3.913 367 3HB ALA 49 3HB ALA 49 -20.850 14.854 -2.609 368 H SER 50 H SER 50 -20.020 16.694 -5.319 369 HA SER 50 HA SER 50 -21.742 17.818 -7.487 370 1HB SER 50 2HB SER 50 -19.738 19.605 -6.205 371 2HB SER 50 1HB SER 50 -21.322 19.990 -6.871 372 HG SER 50 HG SER 50 -22.248 19.011 -5.036 373 H GLY 51 H GLY 51 -20.772 17.170 -9.350 374 1HA GLY 51 2HA GLY 51 -18.931 17.573 -10.928 375 2HA GLY 51 1HA GLY 51 -17.815 17.525 -9.561 376 H GLY 52 H GLY 52 -18.013 15.862 -12.102 377 1HA GLY 52 2HA GLY 52 -18.563 13.169 -11.011 378 2HA GLY 52 1HA GLY 52 -18.165 13.542 -12.689 379 H ALA 53 H ALA 53 -16.877 12.715 -9.579 380 HA ALA 53 HA ALA 53 -14.110 12.866 -10.704 381 1HB ALA 53 1HB ALA 53 -15.241 13.455 -8.062 382 2HB ALA 53 2HB ALA 53 -13.715 13.981 -8.771 383 3HB ALA 53 3HB ALA 53 -13.828 12.402 -7.993 384 H GLY 54 H GLY 54 -13.720 10.865 -11.582 385 1HA GLY 54 2HA GLY 54 -14.062 8.523 -9.769 386 2HA GLY 54 1HA GLY 54 -14.649 8.425 -11.430 387 H ILE 55 H ILE 55 -12.975 8.854 -13.154 388 HA ILE 55 HA ILE 55 -10.590 7.282 -12.598 389 HB ILE 55 HB ILE 55 -11.879 7.404 -14.817 390 1HG1 ILE 55 2HG1 ILE 55 -9.413 7.714 -15.991 391 2HG1 ILE 55 1HG1 ILE 55 -8.974 7.355 -14.320 392 1HG2 ILE 55 1HG2 ILE 55 -11.984 9.879 -14.919 393 2HG2 ILE 55 2HG2 ILE 55 -11.196 9.205 -16.345 394 3HG2 ILE 55 3HG2 ILE 55 -10.228 9.938 -15.067 395 1HD1 ILE 55 1HD1 ILE 55 -10.873 5.493 -14.632 396 2HD1 ILE 55 2HD1 ILE 55 -9.197 5.197 -15.092 397 3HD1 ILE 55 3HD1 ILE 55 -10.382 5.646 -16.319 398 H ARG 56 H ARG 56 -11.404 10.585 -12.306 399 HA ARG 56 HA ARG 56 -8.776 11.702 -12.811 400 1HB ARG 56 2HB ARG 56 -11.357 12.701 -12.247 401 2HB ARG 56 1HB ARG 56 -10.326 13.254 -10.926 402 1HG ARG 56 2HG ARG 56 -9.805 14.924 -12.396 403 2HG ARG 56 1HG ARG 56 -8.685 13.722 -13.037 404 1HD ARG 56 2HD ARG 56 -10.208 13.085 -14.766 405 2HD ARG 56 1HD ARG 56 -11.535 13.971 -14.016 406 HE ARG 56 HE ARG 56 -10.669 15.977 -14.947 407 1HH1 ARG 56 2HH1 ARG 56 -9.709 13.965 -17.084 408 2HH1 ARG 56 1HH1 ARG 56 -8.081 14.511 -17.319 409 1HH2 ARG 56 1HH2 ARG 56 -8.026 16.429 -14.431 410 2HH2 ARG 56 2HH2 ARG 56 -7.130 15.908 -15.818 411 H THR 57 H THR 57 -10.106 9.853 -10.276 412 HA THR 57 HA THR 57 -8.663 10.937 -8.043 413 HB THR 57 HB THR 57 -10.567 9.336 -7.830 414 HG1 THR 57 HG1 THR 57 -9.113 7.808 -6.444 415 1HG2 THR 57 1HG2 THR 57 -9.669 7.920 -9.790 416 2HG2 THR 57 2HG2 THR 57 -10.356 7.054 -8.416 417 3HG2 THR 57 3HG2 THR 57 -8.606 7.176 -8.595 418 H ALA 58 H ALA 58 -7.757 8.889 -10.706 419 HA ALA 58 HA ALA 58 -5.502 7.556 -9.672 420 1HB ALA 58 1HB ALA 58 -6.389 7.197 -11.955 421 2HB ALA 58 2HB ALA 58 -4.659 7.538 -11.988 422 3HB ALA 58 3HB ALA 58 -5.814 8.797 -12.425 423 H GLN 59 H GLN 59 -5.757 10.873 -10.955 424 HA GLN 59 HA GLN 59 -3.002 11.546 -10.786 425 1HB GLN 59 2HB GLN 59 -5.538 13.171 -10.605 426 2HB GLN 59 1HB GLN 59 -3.957 13.931 -10.420 427 1HG GLN 59 2HG GLN 59 -3.433 12.547 -12.638 428 2HG GLN 59 1HG GLN 59 -5.182 12.668 -12.835 429 1HE2 GLN 59 1HE2 GLN 59 -2.666 14.962 -11.612 430 2HE2 GLN 59 2HE2 GLN 59 -3.143 16.243 -12.616 431 H ILE 60 H ILE 60 -5.546 11.506 -8.332 432 HA ILE 60 HA ILE 60 -3.948 12.813 -6.297 433 HB ILE 60 HB ILE 60 -6.363 10.997 -6.005 434 1HG1 ILE 60 2HG1 ILE 60 -6.088 14.007 -6.272 435 2HG1 ILE 60 1HG1 ILE 60 -6.900 12.917 -7.396 436 1HG2 ILE 60 1HG2 ILE 60 -5.419 13.129 -4.088 437 2HG2 ILE 60 2HG2 ILE 60 -4.835 11.469 -3.973 438 3HG2 ILE 60 3HG2 ILE 60 -6.555 11.814 -3.792 439 1HD1 ILE 60 1HD1 ILE 60 -8.745 13.590 -6.199 440 2HD1 ILE 60 2HD1 ILE 60 -7.808 13.927 -4.744 441 3HD1 ILE 60 3HD1 ILE 60 -8.233 12.265 -5.153 442 H ILE 61 H ILE 61 -4.473 9.471 -7.303 443 HA ILE 61 HA ILE 61 -3.262 8.205 -5.043 444 HB ILE 61 HB ILE 61 -3.557 7.368 -7.936 445 1HG1 ILE 61 2HG1 ILE 61 -4.835 6.109 -5.519 446 2HG1 ILE 61 1HG1 ILE 61 -5.512 7.587 -6.203 447 1HG2 ILE 61 1HG2 ILE 61 -3.093 5.071 -6.455 448 2HG2 ILE 61 2HG2 ILE 61 -1.918 6.211 -5.799 449 3HG2 ILE 61 3HG2 ILE 61 -1.928 5.850 -7.525 450 1HD1 ILE 61 1HD1 ILE 61 -5.033 5.966 -8.425 451 2HD1 ILE 61 2HD1 ILE 61 -6.601 6.271 -7.678 452 3HD1 ILE 61 3HD1 ILE 61 -5.660 4.856 -7.207 453 H ALA 62 H ALA 62 -1.909 9.452 -8.086 454 HA ALA 62 HA ALA 62 0.765 8.517 -7.651 455 1HB ALA 62 1HB ALA 62 1.408 10.245 -9.303 456 2HB ALA 62 2HB ALA 62 -0.200 10.958 -9.174 457 3HB ALA 62 3HB ALA 62 -0.004 9.338 -9.843 458 H ASN 63 H ASN 63 -1.048 11.162 -6.307 459 HA ASN 63 HA ASN 63 1.260 12.697 -5.428 460 1HB ASN 63 2HB ASN 63 -1.687 12.799 -5.043 461 2HB ASN 63 1HB ASN 63 -0.708 13.521 -3.765 462 1HD2 ASN 63 1HD2 ASN 63 0.608 13.477 -7.014 463 2HD2 ASN 63 2HD2 ASN 63 0.387 15.130 -7.334 464 H ASN 64 H ASN 64 -0.461 9.927 -4.242 465 HA ASN 64 HA ASN 64 0.450 10.222 -1.477 466 1HB ASN 64 2HB ASN 64 -0.961 8.065 -3.038 467 2HB ASN 64 1HB ASN 64 -0.324 7.734 -1.425 468 1HD2 ASN 64 1HD2 ASN 64 -2.856 7.477 -1.124 469 2HD2 ASN 64 2HD2 ASN 64 -3.682 8.879 -0.640 470 H GLY 65 H GLY 65 1.779 9.021 -4.413 471 1HA GLY 65 2HA GLY 65 4.253 8.640 -4.354 472 2HA GLY 65 1HA GLY 65 3.994 7.748 -2.852 473 H VAL 66 H VAL 66 1.402 6.756 -4.307 474 HA VAL 66 HA VAL 66 2.155 4.154 -4.904 475 HB VAL 66 HB VAL 66 0.072 5.768 -6.409 476 1HG1 VAL 66 1HG1 VAL 66 0.415 3.703 -7.554 477 2HG1 VAL 66 2HG1 VAL 66 -0.999 3.443 -6.531 478 3HG1 VAL 66 3HG1 VAL 66 0.572 2.808 -6.043 479 1HG2 VAL 66 1HG2 VAL 66 -1.410 4.541 -4.642 480 2HG2 VAL 66 2HG2 VAL 66 -0.521 5.979 -4.140 481 3HG2 VAL 66 3HG2 VAL 66 0.093 4.377 -3.734 482 H LYS 67 H LYS 67 4.142 4.011 -5.983 483 HA LYS 67 HA LYS 67 4.532 5.339 -8.562 484 1HB LYS 67 2HB LYS 67 6.230 4.250 -6.649 485 2HB LYS 67 1HB LYS 67 6.308 3.082 -7.970 486 1HG LYS 67 2HG LYS 67 6.393 5.884 -8.862 487 2HG LYS 67 1HG LYS 67 7.764 5.414 -7.856 488 1HD LYS 67 2HD LYS 67 8.657 4.207 -9.532 489 2HD LYS 67 1HD LYS 67 7.149 3.319 -9.754 490 1HE LYS 67 2HE LYS 67 6.721 4.471 -11.636 491 2HE LYS 67 1HE LYS 67 6.794 5.990 -10.740 492 1HZ LYS 67 1HZ LYS 67 8.559 6.352 -12.056 493 2HZ LYS 67 2HZ LYS 67 8.809 4.703 -12.382 494 3HZ LYS 67 3HZ LYS 67 9.381 5.383 -10.934 495 H ALA 68 H ALA 68 2.879 2.597 -7.486 496 HA ALA 68 HA ALA 68 2.730 1.586 -10.285 497 1HB ALA 68 1HB ALA 68 3.520 -0.481 -9.793 498 2HB ALA 68 2HB ALA 68 2.626 -0.547 -8.275 499 3HB ALA 68 3HB ALA 68 4.192 0.261 -8.341 500 H VAL 69 H VAL 69 0.611 1.386 -10.858 501 HA VAL 69 HA VAL 69 -1.388 1.104 -8.647 502 HB VAL 69 HB VAL 69 -1.658 2.552 -11.299 503 1HG1 VAL 69 1HG1 VAL 69 -3.874 2.235 -11.057 504 2HG1 VAL 69 2HG1 VAL 69 -3.794 3.148 -9.550 505 3HG1 VAL 69 3HG1 VAL 69 -3.626 1.394 -9.528 506 1HG2 VAL 69 1HG2 VAL 69 -2.078 4.494 -9.662 507 2HG2 VAL 69 2HG2 VAL 69 -0.415 3.925 -9.798 508 3HG2 VAL 69 3HG2 VAL 69 -1.402 3.443 -8.419 509 H ILE 70 H ILE 70 -2.585 -0.734 -8.751 510 HA ILE 70 HA ILE 70 -2.479 -2.328 -11.263 511 HB ILE 70 HB ILE 70 -3.264 -3.069 -8.428 512 1HG1 ILE 70 2HG1 ILE 70 -0.923 -3.861 -10.193 513 2HG1 ILE 70 1HG1 ILE 70 -0.845 -2.781 -8.800 514 1HG2 ILE 70 1HG2 ILE 70 -4.142 -4.235 -10.826 515 2HG2 ILE 70 2HG2 ILE 70 -4.210 -4.957 -9.218 516 3HG2 ILE 70 3HG2 ILE 70 -2.830 -5.274 -10.269 517 1HD1 ILE 70 1HD1 ILE 70 -2.124 -5.043 -7.805 518 2HD1 ILE 70 2HD1 ILE 70 -0.429 -4.622 -7.558 519 3HD1 ILE 70 3HD1 ILE 70 -0.887 -5.700 -8.877 520 H ALA 71 H ALA 71 -4.213 -2.101 -12.589 521 HA ALA 71 HA ALA 71 -6.924 -2.045 -11.402 522 1HB ALA 71 1HB ALA 71 -6.069 0.036 -13.428 523 2HB ALA 71 2HB ALA 71 -6.124 0.346 -11.693 524 3HB ALA 71 3HB ALA 71 -7.604 -0.053 -12.564 525 H SER 72 H SER 72 -8.573 -2.039 -13.321 526 HA SER 72 HA SER 72 -7.488 -3.441 -15.703 527 1HB SER 72 2HB SER 72 -8.956 -5.312 -15.479 528 2HB SER 72 1HB SER 72 -8.204 -5.112 -13.900 529 HG SER 72 HG SER 72 -10.704 -5.254 -14.291 530 H SER 73 H SER 73 -8.503 -0.795 -15.486 531 HA SER 73 HA SER 73 -11.236 -0.424 -16.003 532 1HB SER 73 2HB SER 73 -10.447 1.551 -17.423 533 2HB SER 73 1HB SER 73 -9.867 1.515 -15.761 534 HG SER 73 HG SER 73 -8.385 0.245 -17.777 535 HA PRO 74 HA PRO 74 -11.955 -2.210 -19.946 536 1HB PRO 74 2HB PRO 74 -13.945 -0.544 -20.854 537 2HB PRO 74 1HB PRO 74 -14.193 -1.774 -19.602 538 1HG PRO 74 2HG PRO 74 -13.980 1.187 -19.308 539 2HG PRO 74 1HG PRO 74 -14.822 0.015 -18.280 540 1HD PRO 74 2HD PRO 74 -12.315 1.200 -17.725 541 2HD PRO 74 1HD PRO 74 -13.006 -0.212 -16.899 542 H GLY 75 H GLY 75 -11.343 1.275 -19.825 543 1HA GLY 75 2HA GLY 75 -10.284 1.104 -22.619 544 2HA GLY 75 1HA GLY 75 -11.008 2.568 -21.953 545 HA PRO 76 HA PRO 76 -6.374 2.368 -21.061 546 1HB PRO 76 2HB PRO 76 -5.436 3.811 -23.202 547 2HB PRO 76 1HB PRO 76 -5.566 2.044 -23.196 548 1HG PRO 76 2HG PRO 76 -7.276 4.045 -24.593 549 2HG PRO 76 1HG PRO 76 -6.966 2.350 -25.006 550 1HD PRO 76 2HD PRO 76 -9.291 3.365 -23.731 551 2HD PRO 76 1HD PRO 76 -8.841 1.654 -23.890 552 H ASN 77 H ASN 77 -8.816 4.402 -20.855 553 HA ASN 77 HA ASN 77 -7.723 7.033 -21.045 554 1HB ASN 77 2HB ASN 77 -9.807 6.209 -19.019 555 2HB ASN 77 1HB ASN 77 -9.649 7.751 -19.861 556 1HD2 ASN 77 1HD2 ASN 77 -9.118 6.485 -22.501 557 2HD2 ASN 77 2HD2 ASN 77 -10.601 5.839 -23.018 558 H ALA 78 H ALA 78 -8.104 4.902 -18.189 559 HA ALA 78 HA ALA 78 -6.762 6.634 -16.364 560 1HB ALA 78 1HB ALA 78 -6.362 3.767 -15.866 561 2HB ALA 78 2HB ALA 78 -8.043 4.193 -16.187 562 3HB ALA 78 3HB ALA 78 -7.170 4.978 -14.870 563 H PHE 79 H PHE 79 -5.542 4.114 -18.542 564 HA PHE 79 HA PHE 79 -2.850 4.121 -17.541 565 1HB PHE 79 2HB PHE 79 -3.654 3.543 -20.400 566 2HB PHE 79 1HB PHE 79 -2.288 2.879 -19.501 567 HD1 PHE 79 HD1 PHE 79 -4.536 1.305 -20.938 568 HD2 PHE 79 HD2 PHE 79 -4.007 2.589 -16.871 569 HE1 PHE 79 HE1 PHE 79 -5.959 -0.572 -20.159 570 HE2 PHE 79 HE2 PHE 79 -5.430 0.712 -16.092 571 HZ PHE 79 HZ PHE 79 -6.406 -0.869 -17.737 572 H GLU 80 H GLU 80 -4.578 6.191 -19.786 573 HA GLU 80 HA GLU 80 -2.220 7.429 -20.921 574 1HB GLU 80 2HB GLU 80 -5.151 8.105 -20.842 575 2HB GLU 80 1HB GLU 80 -3.989 9.293 -21.434 576 1HG GLU 80 2HG GLU 80 -3.674 6.543 -22.501 577 2HG GLU 80 1HG GLU 80 -5.119 7.410 -23.025 578 H VAL 81 H VAL 81 -4.402 8.256 -18.232 579 HA VAL 81 HA VAL 81 -3.145 10.768 -17.624 580 HB VAL 81 HB VAL 81 -4.512 8.998 -15.594 581 1HG1 VAL 81 1HG1 VAL 81 -4.633 11.995 -15.997 582 2HG1 VAL 81 2HG1 VAL 81 -3.415 11.221 -14.986 583 3HG1 VAL 81 3HG1 VAL 81 -5.123 11.077 -14.574 584 1HG2 VAL 81 1HG2 VAL 81 -6.298 10.853 -16.908 585 2HG2 VAL 81 2HG2 VAL 81 -6.460 9.107 -16.725 586 3HG2 VAL 81 3HG2 VAL 81 -5.578 9.771 -18.100 587 H LEU 82 H LEU 82 -2.768 7.522 -16.154 588 HA LEU 82 HA LEU 82 -0.651 8.328 -14.384 589 1HB LEU 82 2HB LEU 82 -1.996 5.853 -15.132 590 2HB LEU 82 1HB LEU 82 -0.261 5.612 -14.914 591 HG LEU 82 HG LEU 82 -0.383 6.707 -12.705 592 1HD1 LEU 82 1HD1 LEU 82 -2.593 7.248 -11.746 593 2HD1 LEU 82 2HD1 LEU 82 -3.363 6.806 -13.269 594 3HD1 LEU 82 3HD1 LEU 82 -2.287 8.201 -13.199 595 1HD2 LEU 82 1HD2 LEU 82 -0.709 4.255 -12.884 596 2HD2 LEU 82 2HD2 LEU 82 -2.445 4.506 -13.061 597 3HD2 LEU 82 3HD2 LEU 82 -1.642 4.932 -11.550 598 H ASN 83 H ASN 83 -0.734 7.358 -17.746 599 HA ASN 83 HA ASN 83 2.048 6.698 -18.024 600 1HB ASN 83 2HB ASN 83 0.414 6.089 -19.746 601 2HB ASN 83 1HB ASN 83 0.083 7.793 -20.060 602 1HD2 ASN 83 1HD2 ASN 83 3.355 6.595 -19.382 603 2HD2 ASN 83 2HD2 ASN 83 3.965 6.870 -20.943 604 H GLU 84 H GLU 84 0.250 9.737 -18.571 605 HA GLU 84 HA GLU 84 2.591 11.266 -19.267 606 1HB GLU 84 2HB GLU 84 -0.015 11.772 -19.522 607 2HB GLU 84 1HB GLU 84 0.235 12.579 -17.973 608 1HG GLU 84 2HG GLU 84 2.094 13.883 -18.965 609 2HG GLU 84 1HG GLU 84 1.799 13.102 -20.519 610 H LEU 85 H LEU 85 1.012 10.451 -16.231 611 HA LEU 85 HA LEU 85 2.383 12.378 -14.594 612 1HB LEU 85 2HB LEU 85 0.660 10.044 -14.197 613 2HB LEU 85 1HB LEU 85 1.906 10.184 -12.955 614 HG LEU 85 HG LEU 85 0.434 12.663 -13.739 615 1HD1 LEU 85 1HD1 LEU 85 -1.350 12.111 -12.089 616 2HD1 LEU 85 2HD1 LEU 85 -0.695 10.478 -11.962 617 3HD1 LEU 85 3HD1 LEU 85 -1.380 11.038 -13.489 618 1HD2 LEU 85 1HD2 LEU 85 2.092 11.632 -11.555 619 2HD2 LEU 85 2HD2 LEU 85 0.635 12.440 -10.977 620 3HD2 LEU 85 3HD2 LEU 85 1.766 13.301 -12.021 621 H GLY 86 H GLY 86 3.295 9.292 -15.949 622 1HA GLY 86 2HA GLY 86 5.586 8.589 -16.173 623 2HA GLY 86 1HA GLY 86 6.023 9.678 -14.855 624 H ILE 87 H ILE 87 3.235 7.649 -14.450 625 HA ILE 87 HA ILE 87 4.740 6.113 -12.388 626 HB ILE 87 HB ILE 87 1.750 6.045 -12.732 627 1HG1 ILE 87 2HG1 ILE 87 2.558 8.442 -12.735 628 2HG1 ILE 87 1HG1 ILE 87 1.524 8.028 -11.368 629 1HG2 ILE 87 1HG2 ILE 87 1.973 4.790 -10.876 630 2HG2 ILE 87 2HG2 ILE 87 2.605 6.207 -10.038 631 3HG2 ILE 87 3HG2 ILE 87 3.710 5.092 -10.842 632 1HD1 ILE 87 1HD1 ILE 87 3.335 7.944 -9.864 633 2HD1 ILE 87 2HD1 ILE 87 3.723 9.328 -10.886 634 3HD1 ILE 87 3HD1 ILE 87 4.520 7.778 -11.160 635 H LYS 88 H LYS 88 4.169 3.763 -12.197 636 HA LYS 88 HA LYS 88 4.038 2.564 -14.905 637 1HB LYS 88 2HB LYS 88 4.859 1.551 -12.185 638 2HB LYS 88 1HB LYS 88 4.539 0.431 -13.509 639 1HG LYS 88 2HG LYS 88 6.418 1.040 -14.654 640 2HG LYS 88 1HG LYS 88 6.275 2.734 -14.185 641 1HD LYS 88 2HD LYS 88 6.922 1.925 -11.813 642 2HD LYS 88 1HD LYS 88 7.458 0.447 -12.615 643 1HE LYS 88 2HE LYS 88 8.359 3.163 -13.573 644 2HE LYS 88 1HE LYS 88 9.211 2.318 -12.281 645 1HZ LYS 88 1HZ LYS 88 8.934 1.591 -15.112 646 2HZ LYS 88 2HZ LYS 88 9.121 0.354 -13.962 647 3HZ LYS 88 3HZ LYS 88 10.310 1.558 -14.122 648 H ILE 89 H ILE 89 2.262 1.445 -15.611 649 HA ILE 89 HA ILE 89 0.053 1.048 -13.634 650 HB ILE 89 HB ILE 89 -0.262 1.235 -16.636 651 1HG1 ILE 89 2HG1 ILE 89 -1.134 3.589 -15.199 652 2HG1 ILE 89 1HG1 ILE 89 0.581 3.303 -14.901 653 1HG2 ILE 89 1HG2 ILE 89 -1.996 0.768 -14.360 654 2HG2 ILE 89 2HG2 ILE 89 -2.375 0.678 -16.080 655 3HG2 ILE 89 3HG2 ILE 89 -2.495 2.218 -15.231 656 1HD1 ILE 89 1HD1 ILE 89 1.084 3.312 -17.241 657 2HD1 ILE 89 2HD1 ILE 89 0.047 4.711 -16.957 658 3HD1 ILE 89 3HD1 ILE 89 -0.624 3.246 -17.675 659 H TYR 90 H TYR 90 -0.755 -1.003 -13.392 660 HA TYR 90 HA TYR 90 0.251 -3.102 -15.272 661 1HB TYR 90 2HB TYR 90 -0.164 -3.340 -12.276 662 2HB TYR 90 1HB TYR 90 0.340 -4.648 -13.346 663 HD1 TYR 90 HD1 TYR 90 1.852 -3.360 -10.912 664 HD2 TYR 90 HD2 TYR 90 2.073 -2.814 -15.169 665 HE1 TYR 90 HE1 TYR 90 4.213 -2.628 -10.697 666 HE2 TYR 90 HE2 TYR 90 4.431 -2.081 -14.953 667 HH TYR 90 HH TYR 90 6.215 -2.021 -13.543 668 H ARG 91 H ARG 91 -1.232 -4.842 -15.679 669 HA ARG 91 HA ARG 91 -4.045 -4.027 -15.458 670 1HB ARG 91 2HB ARG 91 -2.823 -5.243 -17.450 671 2HB ARG 91 1HB ARG 91 -3.168 -6.698 -16.514 672 1HG ARG 91 2HG ARG 91 -5.545 -6.194 -16.505 673 2HG ARG 91 1HG ARG 91 -5.256 -4.641 -17.292 674 1HD ARG 91 2HD ARG 91 -4.487 -5.727 -19.307 675 2HD ARG 91 1HD ARG 91 -4.511 -7.307 -18.524 676 HE ARG 91 HE ARG 91 -6.709 -6.281 -19.871 677 1HH1 ARG 91 2HH1 ARG 91 -6.050 -8.390 -17.398 678 2HH1 ARG 91 1HH1 ARG 91 -7.619 -8.329 -16.666 679 1HH2 ARG 91 1HH2 ARG 91 -8.710 -5.665 -18.600 680 2HH2 ARG 91 2HH2 ARG 91 -9.123 -6.786 -17.345 681 H ALA 92 H ALA 92 -5.680 -5.326 -14.428 682 HA ALA 92 HA ALA 92 -4.599 -6.960 -12.174 683 1HB ALA 92 1HB ALA 92 -7.220 -6.565 -11.548 684 2HB ALA 92 2HB ALA 92 -6.893 -5.109 -12.486 685 3HB ALA 92 3HB ALA 92 -5.927 -5.472 -11.056 686 H THR 93 H THR 93 -5.832 -8.930 -11.611 687 HA THR 93 HA THR 93 -6.833 -10.263 -14.068 688 HB THR 93 HB THR 93 -6.630 -11.827 -11.568 689 HG1 THR 93 HG1 THR 93 -4.762 -11.009 -11.090 690 1HG2 THR 93 1HG2 THR 93 -5.616 -13.433 -13.063 691 2HG2 THR 93 2HG2 THR 93 -5.381 -12.200 -14.301 692 3HG2 THR 93 3HG2 THR 93 -7.010 -12.733 -13.886 693 H GLY 94 H GLY 94 -8.211 -8.412 -11.811 694 1HA GLY 94 2HA GLY 94 -10.339 -8.311 -10.812 695 2HA GLY 94 1HA GLY 94 -10.862 -9.130 -12.284 696 H THR 95 H THR 95 -9.355 -9.831 -9.120 697 HA THR 95 HA THR 95 -11.146 -12.163 -8.846 698 HB THR 95 HB THR 95 -8.125 -12.366 -8.918 699 HG1 THR 95 HG1 THR 95 -9.224 -12.650 -10.879 700 1HG2 THR 95 1HG2 THR 95 -8.873 -14.874 -8.365 701 2HG2 THR 95 2HG2 THR 95 -10.176 -14.028 -7.532 702 3HG2 THR 95 3HG2 THR 95 -8.498 -13.715 -7.091 703 H SER 96 H SER 96 -8.191 -10.818 -7.319 704 HA SER 96 HA SER 96 -9.665 -9.952 -4.973 705 1HB SER 96 2HB SER 96 -7.883 -12.396 -4.738 706 2HB SER 96 1HB SER 96 -8.578 -11.515 -3.380 707 HG SER 96 HG SER 96 -10.535 -12.250 -3.888 708 H VAL 97 H VAL 97 -8.547 -8.185 -4.311 709 HA VAL 97 HA VAL 97 -5.926 -7.560 -5.300 710 HB VAL 97 HB VAL 97 -6.016 -5.681 -3.663 711 1HG1 VAL 97 1HG1 VAL 97 -7.300 -5.793 -5.927 712 2HG1 VAL 97 2HG1 VAL 97 -7.731 -4.523 -4.782 713 3HG1 VAL 97 3HG1 VAL 97 -8.739 -5.963 -4.922 714 1HG2 VAL 97 1HG2 VAL 97 -8.081 -5.457 -2.287 715 2HG2 VAL 97 2HG2 VAL 97 -7.122 -6.862 -1.823 716 3HG2 VAL 97 3HG2 VAL 97 -8.573 -7.071 -2.803 717 H GLU 98 H GLU 98 -7.074 -8.743 -2.138 718 HA GLU 98 HA GLU 98 -4.738 -8.682 -0.644 719 1HB GLU 98 2HB GLU 98 -6.776 -9.569 0.315 720 2HB GLU 98 1HB GLU 98 -6.787 -10.908 -0.834 721 1HG GLU 98 2HG GLU 98 -5.561 -12.115 0.614 722 2HG GLU 98 1HG GLU 98 -4.249 -10.950 0.426 723 H GLU 99 H GLU 99 -5.626 -11.114 -3.094 724 HA GLU 99 HA GLU 99 -3.157 -12.606 -2.776 725 1HB GLU 99 2HB GLU 99 -5.138 -13.717 -3.659 726 2HB GLU 99 1HB GLU 99 -5.217 -12.577 -5.002 727 1HG GLU 99 2HG GLU 99 -4.169 -14.727 -5.673 728 2HG GLU 99 1HG GLU 99 -3.054 -13.370 -5.839 729 H ASN 100 H ASN 100 -4.349 -10.261 -5.197 730 HA ASN 100 HA ASN 100 -2.194 -10.229 -6.962 731 1HB ASN 100 2HB ASN 100 -4.080 -8.122 -5.981 732 2HB ASN 100 1HB ASN 100 -2.695 -7.614 -6.948 733 1HD2 ASN 100 1HD2 ASN 100 -5.113 -10.306 -7.066 734 2HD2 ASN 100 2HD2 ASN 100 -5.398 -10.165 -8.733 735 H LEU 101 H LEU 101 -2.300 -9.102 -3.659 736 HA LEU 101 HA LEU 101 -0.043 -7.373 -3.660 737 1HB LEU 101 2HB LEU 101 -1.773 -8.461 -1.734 738 2HB LEU 101 1HB LEU 101 -0.165 -9.015 -1.264 739 HG LEU 101 HG LEU 101 -0.998 -6.148 -1.792 740 1HD1 LEU 101 1HD1 LEU 101 0.129 -6.339 0.725 741 2HD1 LEU 101 2HD1 LEU 101 -0.775 -7.848 0.591 742 3HD1 LEU 101 3HD1 LEU 101 -1.602 -6.303 0.387 743 1HD2 LEU 101 1HD2 LEU 101 1.691 -7.094 -0.794 744 2HD2 LEU 101 2HD2 LEU 101 1.255 -5.509 -1.434 745 3HD2 LEU 101 3HD2 LEU 101 1.371 -6.897 -2.517 746 H LYS 102 H LYS 102 -0.159 -10.851 -2.791 747 HA LYS 102 HA LYS 102 2.693 -11.146 -2.699 748 1HB LYS 102 2HB LYS 102 0.484 -12.761 -2.142 749 2HB LYS 102 1HB LYS 102 1.282 -13.574 -3.489 750 1HG LYS 102 2HG LYS 102 2.942 -12.556 -1.206 751 2HG LYS 102 1HG LYS 102 2.057 -14.071 -1.021 752 1HD LYS 102 2HD LYS 102 3.354 -14.041 -3.589 753 2HD LYS 102 1HD LYS 102 4.538 -13.674 -2.335 754 1HE LYS 102 2HE LYS 102 3.245 -15.693 -1.113 755 2HE LYS 102 1HE LYS 102 2.970 -16.163 -2.791 756 1HZ LYS 102 1HZ LYS 102 5.179 -16.470 -3.170 757 2HZ LYS 102 2HZ LYS 102 5.131 -16.872 -1.519 758 3HZ LYS 102 3HZ LYS 102 5.666 -15.335 -2.007 759 H LEU 103 H LEU 103 0.366 -11.222 -5.311 760 HA LEU 103 HA LEU 103 1.961 -12.587 -7.256 761 1HB LEU 103 2HB LEU 103 -0.469 -10.940 -7.233 762 2HB LEU 103 1HB LEU 103 0.481 -10.757 -8.709 763 HG LEU 103 HG LEU 103 0.611 -13.395 -8.579 764 1HD1 LEU 103 1HD1 LEU 103 -2.104 -13.533 -7.664 765 2HD1 LEU 103 2HD1 LEU 103 -1.130 -12.758 -6.414 766 3HD1 LEU 103 3HD1 LEU 103 -0.687 -14.356 -7.013 767 1HD2 LEU 103 1HD2 LEU 103 -1.812 -13.319 -9.700 768 2HD2 LEU 103 2HD2 LEU 103 -0.414 -12.596 -10.496 769 3HD2 LEU 103 3HD2 LEU 103 -1.540 -11.579 -9.597 770 H PHE 104 H PHE 104 1.850 -9.208 -6.209 771 HA PHE 104 HA PHE 104 3.466 -8.133 -8.312 772 1HB PHE 104 2HB PHE 104 2.091 -6.916 -6.458 773 2HB PHE 104 1HB PHE 104 3.554 -7.089 -5.488 774 HD1 PHE 104 HD1 PHE 104 5.789 -6.325 -6.596 775 HD2 PHE 104 HD2 PHE 104 1.896 -5.122 -7.962 776 HE1 PHE 104 HE1 PHE 104 6.799 -4.382 -7.762 777 HE2 PHE 104 HE2 PHE 104 2.905 -3.180 -9.129 778 HZ PHE 104 HZ PHE 104 5.357 -2.809 -9.028 779 H THR 105 H THR 105 4.252 -9.947 -5.425 780 HA THR 105 HA THR 105 7.071 -9.241 -5.412 781 HB THR 105 HB THR 105 5.676 -11.641 -4.186 782 HG1 THR 105 HG1 THR 105 5.867 -10.247 -2.291 783 1HG2 THR 105 1HG2 THR 105 7.808 -12.270 -3.776 784 2HG2 THR 105 2HG2 THR 105 7.846 -10.938 -2.622 785 3HG2 THR 105 3HG2 THR 105 8.450 -10.701 -4.261 786 H GLU 106 H GLU 106 5.114 -11.444 -7.216 787 HA GLU 106 HA GLU 106 7.548 -12.920 -8.116 788 1HB GLU 106 2HB GLU 106 4.610 -13.581 -8.490 789 2HB GLU 106 1HB GLU 106 5.959 -14.575 -9.039 790 1HG GLU 106 2HG GLU 106 5.876 -13.761 -6.159 791 2HG GLU 106 1HG GLU 106 4.793 -15.045 -6.699 792 H GLY 107 H GLY 107 6.037 -10.202 -8.951 793 1HA GLY 107 2HA GLY 107 5.743 -9.023 -10.962 794 2HA GLY 107 1HA GLY 107 7.075 -10.015 -11.557 795 H ASN 108 H ASN 108 3.861 -11.107 -10.508 796 HA ASN 108 HA ASN 108 3.584 -12.623 -13.008 797 1HB ASN 108 2HB ASN 108 2.509 -12.768 -10.353 798 2HB ASN 108 1HB ASN 108 1.170 -12.668 -11.497 799 1HD2 ASN 108 1HD2 ASN 108 4.295 -14.428 -11.086 800 2HD2 ASN 108 2HD2 ASN 108 3.734 -15.878 -11.765 801 H LEU 109 H LEU 109 1.934 -9.898 -11.408 802 HA LEU 109 HA LEU 109 0.306 -9.481 -13.857 803 1HB LEU 109 2HB LEU 109 -0.167 -9.096 -11.094 804 2HB LEU 109 1HB LEU 109 -0.108 -7.486 -11.812 805 HG LEU 109 HG LEU 109 -1.769 -8.125 -13.481 806 1HD1 LEU 109 1HD1 LEU 109 -0.871 -10.703 -12.997 807 2HD1 LEU 109 2HD1 LEU 109 -2.278 -10.275 -13.970 808 3HD1 LEU 109 3HD1 LEU 109 -2.477 -10.699 -12.270 809 1HD2 LEU 109 1HD2 LEU 109 -2.686 -7.291 -11.405 810 2HD2 LEU 109 2HD2 LEU 109 -2.494 -8.864 -10.629 811 3HD2 LEU 109 3HD2 LEU 109 -3.685 -8.652 -11.913 812 H GLU 110 H GLU 110 0.448 -7.524 -15.058 813 HA GLU 110 HA GLU 110 2.087 -5.303 -14.310 814 1HB GLU 110 2HB GLU 110 3.469 -7.590 -15.482 815 2HB GLU 110 1HB GLU 110 3.681 -6.127 -16.444 816 1HG GLU 110 2HG GLU 110 4.760 -4.989 -14.736 817 2HG GLU 110 1HG GLU 110 3.966 -5.928 -13.471 818 H GLU 111 H GLU 111 2.764 -4.114 -16.550 819 HA GLU 111 HA GLU 111 1.177 -4.552 -18.869 820 1HB GLU 111 2HB GLU 111 -0.694 -4.036 -17.327 821 2HB GLU 111 1HB GLU 111 0.046 -2.474 -16.992 822 1HG GLU 111 2HG GLU 111 -1.124 -1.681 -18.750 823 2HG GLU 111 1HG GLU 111 -0.007 -2.588 -19.771 824 H ILE 112 H ILE 112 0.963 -1.307 -18.111 825 HA ILE 112 HA ILE 112 3.165 -0.673 -19.922 826 HB ILE 112 HB ILE 112 1.449 1.204 -18.267 827 1HG1 ILE 112 2HG1 ILE 112 0.968 0.807 -21.173 828 2HG1 ILE 112 1HG1 ILE 112 0.482 -0.524 -20.120 829 1HG2 ILE 112 1HG2 ILE 112 3.534 2.191 -19.167 830 2HG2 ILE 112 2HG2 ILE 112 2.111 2.859 -19.967 831 3HG2 ILE 112 3HG2 ILE 112 3.089 1.640 -20.783 832 1HD1 ILE 112 1HD1 ILE 112 -0.861 1.004 -18.760 833 2HD1 ILE 112 2HD1 ILE 112 -1.352 1.124 -20.449 834 3HD1 ILE 112 3HD1 ILE 112 -0.332 2.373 -19.736 835 H ARG 113 H ARG 113 5.238 -0.446 -19.244 836 HA ARG 113 HA ARG 113 5.781 -0.157 -16.352 837 1HB ARG 113 2HB ARG 113 7.068 -1.492 -18.453 838 2HB ARG 113 1HB ARG 113 8.125 -0.132 -18.076 839 1HG ARG 113 2HG ARG 113 8.593 -0.902 -15.962 840 2HG ARG 113 1HG ARG 113 7.003 -1.641 -15.767 841 1HD ARG 113 2HD ARG 113 7.701 -3.632 -16.595 842 2HD ARG 113 1HD ARG 113 8.610 -2.869 -17.898 843 HE ARG 113 HE ARG 113 10.000 -2.420 -15.450 844 1HH1 ARG 113 2HH1 ARG 113 10.833 -3.729 -18.180 845 2HH1 ARG 113 1HH1 ARG 113 11.446 -5.241 -17.597 846 1HH2 ARG 113 1HH2 ARG 113 10.047 -4.896 -14.443 847 2HH2 ARG 113 2HH2 ARG 113 11.001 -5.901 -15.482 848 H SER 114 H SER 114 7.041 1.415 -19.319 849 HA SER 114 HA SER 114 7.696 3.638 -19.683 850 1HB SER 114 2HB SER 114 5.255 3.709 -18.211 851 2HB SER 114 1HB SER 114 6.305 4.962 -17.557 852 HG SER 114 HG SER 114 5.366 4.593 -20.192 853 HA PRO 115 HA PRO 115 10.702 3.468 -16.259 854 1HB PRO 115 2HB PRO 115 12.881 3.750 -17.913 855 2HB PRO 115 1HB PRO 115 12.135 2.187 -17.534 856 1HG PRO 115 2HG PRO 115 11.968 3.784 -20.047 857 2HG PRO 115 1HG PRO 115 11.812 2.035 -19.817 858 1HD PRO 115 2HD PRO 115 9.674 3.850 -20.193 859 2HD PRO 115 1HD PRO 115 9.531 2.172 -19.626 860 H GLY 116 H GLY 116 12.893 5.111 -16.356 861 1HA GLY 116 2HA GLY 116 12.281 7.723 -17.486 862 2HA GLY 116 1HA GLY 116 12.008 7.662 -15.745 863 H SER 117 H SER 117 14.506 6.879 -18.178 864 HA SER 117 HA SER 117 16.527 8.025 -16.331 865 1HB SER 117 2HB SER 117 17.923 5.896 -17.286 866 2HB SER 117 1HB SER 117 17.090 5.895 -15.734 867 HG SER 117 HG SER 117 15.994 4.308 -16.565 868 H GLY 118 H GLY 118 17.176 9.688 -17.654 869 1HA GLY 118 2HA GLY 118 18.655 10.442 -19.407 870 2HA GLY 118 1HA GLY 118 18.356 8.934 -20.271 871 H ARG 119 H ARG 119 18.090 10.894 -21.942 872 HA ARG 119 HA ARG 119 15.266 10.981 -22.583 873 1HB ARG 119 2HB ARG 119 16.146 12.995 -20.847 874 2HB ARG 119 1HB ARG 119 16.116 13.760 -22.437 875 1HG ARG 119 2HG ARG 119 13.782 12.635 -22.683 876 2HG ARG 119 1HG ARG 119 13.853 12.465 -20.929 877 1HD ARG 119 2HD ARG 119 12.932 14.557 -20.965 878 2HD ARG 119 1HD ARG 119 14.609 15.058 -21.183 879 HE ARG 119 HE ARG 119 12.576 14.875 -23.351 880 1HH1 ARG 119 1HH2 ARG 119 15.372 14.258 -24.274 881 2HH1 ARG 119 2HH2 ARG 119 15.950 15.825 -24.734 882 1HH2 ARG 119 2HH1 ARG 119 13.457 17.533 -23.035 883 2HH2 ARG 119 1HH1 ARG 119 14.867 17.679 -24.030 884 H GLY 120 H GLY 120 15.172 11.025 -24.780 885 1HA GLY 120 2HA GLY 120 15.775 11.470 -27.008 886 2HA GLY 120 1HA GLY 120 16.830 12.747 -26.399 887 H ARG 121 H ARG 121 18.704 12.262 -27.536 888 HA ARG 121 HA ARG 121 20.677 11.110 -28.064 889 1HB ARG 121 2HB ARG 121 20.028 10.477 -25.337 890 2HB ARG 121 1HB ARG 121 20.711 9.046 -26.111 891 1HG ARG 121 2HG ARG 121 22.753 9.962 -25.865 892 2HG ARG 121 1HG ARG 121 22.273 11.217 -27.008 893 1HD ARG 121 2HD ARG 121 21.359 11.493 -24.177 894 2HD ARG 121 1HD ARG 121 23.055 11.824 -24.529 895 HE ARG 121 HE ARG 121 20.743 13.334 -25.638 896 1HH1 ARG 121 1HH2 ARG 121 22.978 13.227 -27.600 897 2HH1 ARG 121 2HH2 ARG 121 23.932 14.603 -27.156 898 1HH2 ARG 121 2HH1 ARG 121 22.468 14.942 -24.031 899 2HH2 ARG 121 1HH1 ARG 121 23.643 15.574 -25.135 900 H ARG 122 H ARG 122 17.987 10.155 -29.036 901 HA ARG 122 HA ARG 122 18.299 7.239 -29.227 902 1HB ARG 122 2HB ARG 122 16.107 8.815 -29.288 903 2HB ARG 122 1HB ARG 122 16.412 8.678 -31.020 904 1HG ARG 122 2HG ARG 122 16.766 6.088 -29.894 905 2HG ARG 122 1HG ARG 122 15.251 6.732 -29.261 906 1HD ARG 122 2HD ARG 122 16.010 6.700 -32.197 907 2HD ARG 122 1HD ARG 122 14.949 5.521 -31.425 908 HE ARG 122 HE ARG 122 13.537 7.635 -30.818 909 1HH1 ARG 122 1HH2 ARG 122 15.885 8.492 -32.997 910 2HH1 ARG 122 2HH2 ARG 122 14.809 9.018 -34.248 911 1HH2 ARG 122 2HH1 ARG 122 11.971 7.771 -32.695 912 2HH2 ARG 122 1HH1 ARG 122 12.592 8.608 -34.077 913 H ARG 123 H ARG 123 18.755 10.081 -31.299 914 HA ARG 123 HA ARG 123 19.302 8.633 -33.714 915 1HB ARG 123 2HB ARG 123 20.218 11.376 -32.798 916 2HB ARG 123 1HB ARG 123 20.422 10.755 -34.436 917 1HG ARG 123 2HG ARG 123 18.364 11.560 -34.888 918 2HG ARG 123 1HG ARG 123 17.728 10.286 -33.846 919 1HD ARG 123 2HD ARG 123 17.340 11.719 -32.106 920 2HD ARG 123 1HD ARG 123 18.768 12.693 -32.455 921 HE ARG 123 HE ARG 123 17.005 13.201 -34.565 922 1HH1 ARG 123 1HH2 ARG 123 17.954 15.256 -32.552 923 2HH1 ARG 123 2HH2 ARG 123 16.454 15.791 -31.871 924 1HH2 ARG 123 2HH1 ARG 123 14.640 13.091 -33.073 925 2HH2 ARG 123 1HH1 ARG 123 14.578 14.566 -32.166 926 H ARG 124 HN ARG 124 21.618 10.267 -31.510 927 HA ARG 124 HA ARG 124 23.874 8.849 -32.663 928 1HB ARG 124 2HB ARG 124 25.176 9.898 -30.868 929 2HB ARG 124 1HB ARG 124 24.094 11.086 -31.595 930 1HG ARG 124 2HG ARG 124 22.598 11.018 -29.766 931 2HG ARG 124 1HG ARG 124 23.262 9.496 -29.169 932 1HD ARG 124 2HD ARG 124 24.723 12.154 -29.218 933 2HD ARG 124 1HD ARG 124 24.027 11.393 -27.787 934 HE ARG 124 HE ARG 124 25.900 9.642 -29.154 935 1HH1 ARG 124 1HH1 ARG 124 26.458 12.698 -27.995 936 2HH1 ARG 124 2HH1 ARG 124 27.537 12.232 -26.723 937 1HH2 ARG 124 1HH2 ARG 124 26.899 8.841 -27.067 938 2HH2 ARG 124 2HH2 ARG 124 27.785 10.047 -26.197 Start of MODEL 10 1 1H MET 1 1H MET 1 8.499 2.052 -4.730 2 2H MET 1 2H MET 1 9.040 0.513 -4.253 3 3H MET 1 3H MET 1 7.873 1.332 -3.329 4 HA MET 1 HA MET 1 6.936 1.126 -5.970 5 1HB MET 1 2HB MET 1 7.916 -1.437 -4.681 6 2HB MET 1 1HB MET 1 6.746 -1.389 -6.001 7 1HG MET 1 2HG MET 1 9.433 -0.024 -6.204 8 2HG MET 1 1HG MET 1 9.209 -1.712 -6.660 9 1HE MET 1 1HE MET 1 10.068 -1.079 -9.136 10 2HE MET 1 2HE MET 1 10.306 0.527 -8.453 11 3HE MET 1 3HE MET 1 9.472 0.348 -9.994 12 H LYS 2 H LYS 2 5.133 2.099 -4.991 13 HA LYS 2 HA LYS 2 3.899 0.782 -2.651 14 1HB LYS 2 2HB LYS 2 3.325 3.325 -4.180 15 2HB LYS 2 1HB LYS 2 2.205 2.698 -2.970 16 1HG LYS 2 2HG LYS 2 3.860 4.380 -2.071 17 2HG LYS 2 1HG LYS 2 3.891 2.822 -1.243 18 1HD LYS 2 2HD LYS 2 5.912 2.187 -2.229 19 2HD LYS 2 1HD LYS 2 5.711 3.294 -3.588 20 1HE LYS 2 2HE LYS 2 5.735 4.841 -1.185 21 2HE LYS 2 1HE LYS 2 7.116 3.746 -1.143 22 1HZ LYS 2 1HZ LYS 2 7.128 4.611 -3.695 23 2HZ LYS 2 2HZ LYS 2 8.079 5.260 -2.445 24 3HZ LYS 2 3HZ LYS 2 6.607 5.997 -2.866 25 H ILE 3 H ILE 3 2.123 -0.539 -2.805 26 HA ILE 3 HA ILE 3 1.085 -1.057 -5.545 27 HB ILE 3 HB ILE 3 0.509 -2.719 -3.093 28 1HG1 ILE 3 2HG1 ILE 3 2.989 -2.356 -3.364 29 2HG1 ILE 3 1HG1 ILE 3 2.491 -4.037 -3.568 30 1HG2 ILE 3 1HG2 ILE 3 -0.832 -3.335 -4.963 31 2HG2 ILE 3 2HG2 ILE 3 0.494 -4.498 -4.947 32 3HG2 ILE 3 3HG2 ILE 3 0.514 -3.152 -6.086 33 1HD1 ILE 3 1HD1 ILE 3 2.360 -3.552 -6.072 34 2HD1 ILE 3 2HD1 ILE 3 3.982 -3.575 -5.379 35 3HD1 ILE 3 3HD1 ILE 3 3.191 -2.037 -5.726 36 H ALA 4 H ALA 4 -0.601 0.318 -5.922 37 HA ALA 4 HA ALA 4 -2.706 0.557 -3.815 38 1HB ALA 4 1HB ALA 4 -3.090 2.395 -5.993 39 2HB ALA 4 2HB ALA 4 -1.423 2.518 -5.433 40 3HB ALA 4 3HB ALA 4 -2.753 2.759 -4.301 41 H ILE 5 H ILE 5 -3.731 -1.438 -4.422 42 HA ILE 5 HA ILE 5 -4.742 -1.611 -7.211 43 HB ILE 5 HB ILE 5 -3.687 -3.628 -6.329 44 1HG1 ILE 5 2HG1 ILE 5 -6.655 -4.166 -6.233 45 2HG1 ILE 5 1HG1 ILE 5 -5.874 -3.679 -7.738 46 1HG2 ILE 5 1HG2 ILE 5 -4.903 -2.808 -3.922 47 2HG2 ILE 5 2HG2 ILE 5 -3.922 -4.252 -4.177 48 3HG2 ILE 5 3HG2 ILE 5 -5.676 -4.335 -4.347 49 1HD1 ILE 5 1HD1 ILE 5 -5.775 -6.034 -7.813 50 2HD1 ILE 5 2HD1 ILE 5 -5.403 -6.161 -6.093 51 3HD1 ILE 5 3HD1 ILE 5 -4.178 -5.576 -7.221 52 H ALA 6 H ALA 6 -6.871 -1.274 -7.690 53 HA ALA 6 HA ALA 6 -8.636 -0.023 -5.850 54 1HB ALA 6 1HB ALA 6 -9.536 -1.655 -8.234 55 2HB ALA 6 2HB ALA 6 -8.793 -0.065 -8.407 56 3HB ALA 6 3HB ALA 6 -10.317 -0.236 -7.535 57 H SER 7 H SER 7 -10.612 -0.910 -4.868 58 HA SER 7 HA SER 7 -10.925 -3.818 -4.748 59 1HB SER 7 2HB SER 7 -10.724 -3.096 -2.014 60 2HB SER 7 1HB SER 7 -9.677 -4.188 -2.916 61 HG SER 7 HG SER 7 -8.320 -2.527 -3.354 62 H SER 8 H SER 8 -12.638 -4.262 -2.859 63 HA SER 8 HA SER 8 -14.644 -2.044 -2.925 64 1HB SER 8 2HB SER 8 -16.135 -4.369 -2.752 65 2HB SER 8 1HB SER 8 -15.888 -3.426 -4.218 66 HG SER 8 HG SER 8 -13.994 -4.717 -4.570 67 H GLY 9 H GLY 9 -12.625 -3.063 -0.885 68 1HA GLY 9 2HA GLY 9 -13.773 -2.507 1.504 69 2HA GLY 9 1HA GLY 9 -14.341 -4.159 1.245 70 H THR 10 H THR 10 -13.085 -4.946 3.030 71 HA THR 10 HA THR 10 -10.152 -5.063 2.446 72 HB THR 10 HB THR 10 -9.907 -5.295 4.984 73 HG1 THR 10 HG1 THR 10 -12.064 -5.694 5.464 74 1HG2 THR 10 1HG2 THR 10 -9.688 -2.975 5.248 75 2HG2 THR 10 2HG2 THR 10 -11.082 -2.632 4.223 76 3HG2 THR 10 3HG2 THR 10 -9.571 -3.182 3.500 77 H ASP 11 H ASP 11 -10.038 -7.120 1.565 78 HA ASP 11 HA ASP 11 -10.185 -9.462 1.459 79 1HB ASP 11 2HB ASP 11 -9.169 -8.788 3.921 80 2HB ASP 11 1HB ASP 11 -10.555 -9.785 4.367 81 H LEU 12 H LEU 12 -11.632 -11.159 3.359 82 HA LEU 12 HA LEU 12 -13.802 -12.006 3.640 83 1HB LEU 12 2HB LEU 12 -13.897 -9.232 4.297 84 2HB LEU 12 1HB LEU 12 -15.358 -9.614 3.384 85 HG LEU 12 HG LEU 12 -14.903 -11.769 5.187 86 1HD1 LEU 12 1HD1 LEU 12 -14.504 -9.016 6.351 87 2HD1 LEU 12 2HD1 LEU 12 -13.581 -10.487 6.659 88 3HD1 LEU 12 3HD1 LEU 12 -15.206 -10.312 7.319 89 1HD2 LEU 12 1HD2 LEU 12 -17.102 -11.164 4.442 90 2HD2 LEU 12 2HD2 LEU 12 -16.915 -9.511 5.025 91 3HD2 LEU 12 3HD2 LEU 12 -17.064 -10.840 6.175 92 H GLY 13 H GLY 13 -12.627 -11.194 0.875 93 1HA GLY 13 2HA GLY 13 -13.779 -12.239 -1.104 94 2HA GLY 13 1HA GLY 13 -15.228 -11.369 -0.597 95 H SER 14 H SER 14 -12.100 -9.849 -0.350 96 HA SER 14 HA SER 14 -12.960 -7.654 -2.042 97 1HB SER 14 2HB SER 14 -10.429 -8.351 -0.577 98 2HB SER 14 1HB SER 14 -10.426 -7.043 -1.757 99 HG SER 14 HG SER 14 -11.152 -5.942 -0.106 100 H GLU 15 H GLU 15 -13.381 -8.829 -4.039 101 HA GLU 15 HA GLU 15 -11.184 -10.176 -5.414 102 1HB GLU 15 2HB GLU 15 -12.762 -10.467 -7.235 103 2HB GLU 15 1HB GLU 15 -13.593 -10.802 -5.714 104 1HG GLU 15 2HG GLU 15 -13.766 -7.985 -6.304 105 2HG GLU 15 1HG GLU 15 -14.331 -8.916 -7.692 106 H VAL 16 H VAL 16 -10.514 -7.435 -4.737 107 HA VAL 16 HA VAL 16 -9.500 -5.594 -5.767 108 HB VAL 16 HB VAL 16 -9.857 -7.169 -8.332 109 1HG1 VAL 16 1HG1 VAL 16 -7.702 -5.908 -8.867 110 2HG1 VAL 16 2HG1 VAL 16 -8.029 -4.929 -7.437 111 3HG1 VAL 16 3HG1 VAL 16 -9.165 -4.924 -8.786 112 1HG2 VAL 16 1HG2 VAL 16 -7.930 -8.391 -7.841 113 2HG2 VAL 16 2HG2 VAL 16 -8.683 -8.292 -6.250 114 3HG2 VAL 16 3HG2 VAL 16 -7.356 -7.207 -6.666 115 H SER 17 H SER 17 -12.591 -6.264 -5.879 116 HA SER 17 HA SER 17 -14.485 -5.025 -6.505 117 1HB SER 17 2HB SER 17 -12.592 -3.142 -6.076 118 2HB SER 17 1HB SER 17 -12.881 -2.880 -7.794 119 HG SER 17 HG SER 17 -14.587 -2.574 -5.600 120 H ARG 18 H ARG 18 -15.388 -3.866 -8.637 121 HA ARG 18 HA ARG 18 -14.334 -5.425 -10.965 122 1HB ARG 18 2HB ARG 18 -16.723 -5.903 -9.865 123 2HB ARG 18 1HB ARG 18 -17.188 -4.547 -10.891 124 1HG ARG 18 2HG ARG 18 -16.797 -5.706 -12.839 125 2HG ARG 18 1HG ARG 18 -15.493 -6.660 -12.133 126 1HD ARG 18 2HD ARG 18 -17.013 -8.123 -11.037 127 2HD ARG 18 1HD ARG 18 -18.373 -7.032 -11.301 128 HE ARG 18 HE ARG 18 -17.149 -7.988 -13.778 129 1HH1 ARG 18 2HH1 ARG 18 -20.088 -7.295 -13.125 130 2HH1 ARG 18 1HH1 ARG 18 -20.817 -8.860 -13.264 131 1HH2 ARG 18 1HH2 ARG 18 -17.799 -10.565 -13.165 132 2HH2 ARG 18 2HH2 ARG 18 -19.520 -10.712 -13.290 133 H PHE 19 H PHE 19 -14.337 -2.427 -9.770 134 HA PHE 19 HA PHE 19 -14.352 -1.225 -12.483 135 1HB PHE 19 2HB PHE 19 -16.110 -0.426 -10.183 136 2HB PHE 19 1HB PHE 19 -15.523 0.816 -11.290 137 HD1 PHE 19 HD1 PHE 19 -18.135 -1.448 -10.710 138 HD2 PHE 19 HD2 PHE 19 -15.679 0.096 -13.882 139 HE1 PHE 19 HE1 PHE 19 -19.863 -2.102 -12.366 140 HE2 PHE 19 HE2 PHE 19 -17.407 -0.558 -15.538 141 HZ PHE 19 HZ PHE 19 -19.497 -1.658 -14.780 142 H PHE 20 H PHE 20 -13.319 0.999 -12.405 143 HA PHE 20 HA PHE 20 -11.434 1.255 -10.102 144 1HB PHE 20 2HB PHE 20 -10.093 0.255 -11.805 145 2HB PHE 20 1HB PHE 20 -10.799 1.273 -13.060 146 HD1 PHE 20 HD1 PHE 20 -9.847 2.519 -9.710 147 HD2 PHE 20 HD2 PHE 20 -8.721 2.237 -13.847 148 HE1 PHE 20 HE1 PHE 20 -8.072 4.214 -9.343 149 HE2 PHE 20 HE2 PHE 20 -6.947 3.931 -13.481 150 HZ PHE 20 HZ PHE 20 -6.622 4.920 -11.228 151 H GLY 21 H GLY 21 -12.747 3.015 -9.326 152 1HA GLY 21 2HA GLY 21 -12.018 5.593 -9.900 153 2HA GLY 21 1HA GLY 21 -13.287 5.292 -11.088 154 H ARG 22 H ARG 22 -15.181 3.900 -9.780 155 HA ARG 22 HA ARG 22 -16.084 5.846 -7.735 156 1HB ARG 22 2HB ARG 22 -17.399 3.887 -9.549 157 2HB ARG 22 1HB ARG 22 -18.183 4.174 -7.996 158 1HG ARG 22 2HG ARG 22 -19.000 6.125 -8.757 159 2HG ARG 22 1HG ARG 22 -17.359 6.700 -9.057 160 1HD ARG 22 2HD ARG 22 -18.365 6.792 -11.187 161 2HD ARG 22 1HD ARG 22 -17.482 5.265 -11.217 162 HE ARG 22 HE ARG 22 -19.999 4.561 -10.291 163 1HH1 ARG 22 1HH2 ARG 22 -18.527 4.344 -13.130 164 2HH1 ARG 22 2HH2 ARG 22 -19.880 4.719 -14.145 165 1HH2 ARG 22 2HH1 ARG 22 -21.848 5.883 -11.538 166 2HH2 ARG 22 1HH1 ARG 22 -21.761 5.590 -13.243 167 H ALA 23 H ALA 23 -14.832 2.633 -7.965 168 HA ALA 23 HA ALA 23 -15.968 1.389 -5.703 169 1HB ALA 23 1HB ALA 23 -14.324 0.409 -7.411 170 2HB ALA 23 2HB ALA 23 -14.099 -0.083 -5.732 171 3HB ALA 23 3HB ALA 23 -13.049 1.144 -6.441 172 HA PRO 24 HA PRO 24 -14.247 4.295 -2.711 173 1HB PRO 24 2HB PRO 24 -16.033 3.631 -0.733 174 2HB PRO 24 1HB PRO 24 -16.405 4.767 -2.041 175 1HG PRO 24 2HG PRO 24 -17.353 1.971 -1.663 176 2HG PRO 24 1HG PRO 24 -18.105 3.298 -2.565 177 1HD PRO 24 2HD PRO 24 -16.627 1.133 -3.673 178 2HD PRO 24 1HD PRO 24 -17.167 2.592 -4.529 179 H TYR 25 H TYR 25 -12.759 1.966 -3.087 180 HA TYR 25 HA TYR 25 -12.010 1.318 -0.335 181 1HB TYR 25 2HB TYR 25 -13.465 -0.611 -2.085 182 2HB TYR 25 1HB TYR 25 -12.121 -1.238 -1.129 183 HD1 TYR 25 HD1 TYR 25 -12.126 0.082 1.358 184 HD2 TYR 25 HD2 TYR 25 -15.518 -0.992 -1.052 185 HE1 TYR 25 HE1 TYR 25 -13.562 0.079 3.381 186 HE2 TYR 25 HE2 TYR 25 -16.954 -0.996 0.971 187 HH TYR 25 HH TYR 25 -16.599 -1.310 3.476 188 H PHE 26 H PHE 26 -10.242 2.577 -1.587 189 HA PHE 26 HA PHE 26 -8.689 0.954 -3.484 190 1HB PHE 26 2HB PHE 26 -8.922 3.704 -2.929 191 2HB PHE 26 1HB PHE 26 -7.284 3.268 -2.442 192 HD1 PHE 26 HD1 PHE 26 -9.719 3.076 -5.258 193 HD2 PHE 26 HD2 PHE 26 -5.604 2.787 -4.052 194 HE1 PHE 26 HE1 PHE 26 -9.027 3.001 -7.639 195 HE2 PHE 26 HE2 PHE 26 -4.912 2.712 -6.433 196 HZ PHE 26 HZ PHE 26 -6.623 2.819 -8.227 197 H MET 27 H MET 27 -7.093 -0.429 -2.866 198 HA MET 27 HA MET 27 -6.249 -0.370 -0.013 199 1HB MET 27 2HB MET 27 -6.438 -2.481 -2.114 200 2HB MET 27 1HB MET 27 -5.166 -2.652 -0.904 201 1HG MET 27 2HG MET 27 -6.675 -2.853 0.855 202 2HG MET 27 1HG MET 27 -7.945 -1.978 0.000 203 1HE MET 27 1HE MET 27 -8.448 -6.036 0.843 204 2HE MET 27 2HE MET 27 -8.545 -4.454 1.616 205 3HE MET 27 3HE MET 27 -6.972 -5.205 1.355 206 H ILE 28 H ILE 28 -4.308 0.509 0.450 207 HA ILE 28 HA ILE 28 -2.210 0.502 -1.686 208 HB ILE 28 HB ILE 28 -3.166 2.778 -1.143 209 1HG1 ILE 28 2HG1 ILE 28 -0.660 3.548 -0.338 210 2HG1 ILE 28 1HG1 ILE 28 -0.335 1.944 -0.995 211 1HG2 ILE 28 1HG2 ILE 28 -3.216 1.952 1.413 212 2HG2 ILE 28 2HG2 ILE 28 -3.089 3.658 0.982 213 3HG2 ILE 28 3HG2 ILE 28 -1.642 2.747 1.418 214 1HD1 ILE 28 1HD1 ILE 28 -2.130 3.668 -2.612 215 2HD1 ILE 28 2HD1 ILE 28 -0.857 2.565 -3.134 216 3HD1 ILE 28 3HD1 ILE 28 -0.442 4.170 -2.532 217 H VAL 29 H VAL 29 -0.292 -0.433 -1.088 218 HA VAL 29 HA VAL 29 0.269 -0.763 1.818 219 HB VAL 29 HB VAL 29 -0.796 -2.854 0.990 220 1HG1 VAL 29 1HG1 VAL 29 -0.275 -3.691 -1.035 221 2HG1 VAL 29 2HG1 VAL 29 1.428 -3.799 -0.590 222 3HG1 VAL 29 3HG1 VAL 29 0.793 -2.310 -1.287 223 1HG2 VAL 29 1HG2 VAL 29 0.696 -3.255 2.764 224 2HG2 VAL 29 2HG2 VAL 29 2.106 -2.810 1.802 225 3HG2 VAL 29 3HG2 VAL 29 1.288 -4.346 1.511 226 H GLU 30 H GLU 30 2.396 -0.369 2.289 227 HA GLU 30 HA GLU 30 4.226 0.064 -0.024 228 1HB GLU 30 2HB GLU 30 3.958 2.001 1.440 229 2HB GLU 30 1HB GLU 30 4.375 1.026 2.849 230 1HG GLU 30 2HG GLU 30 6.523 0.527 1.253 231 2HG GLU 30 1HG GLU 30 6.134 2.178 0.765 232 H MET 31 H MET 31 6.122 -1.115 -0.189 233 HA MET 31 HA MET 31 6.739 -3.014 2.034 234 1HB MET 31 2HB MET 31 7.266 -4.744 0.371 235 2HB MET 31 1HB MET 31 5.596 -4.210 0.182 236 1HG MET 31 2HG MET 31 6.101 -2.929 -1.740 237 2HG MET 31 1HG MET 31 7.832 -2.946 -1.401 238 1HE MET 31 1HE MET 31 5.066 -6.192 -2.828 239 2HE MET 31 2HE MET 31 4.858 -5.028 -1.523 240 3HE MET 31 3HE MET 31 5.678 -6.556 -1.209 241 H LYS 32 H LYS 32 9.004 -3.582 2.184 242 HA LYS 32 HA LYS 32 10.756 -1.437 1.146 243 1HB LYS 32 2HB LYS 32 10.688 -3.063 3.504 244 2HB LYS 32 1HB LYS 32 12.220 -3.344 2.677 245 1HG LYS 32 2HG LYS 32 11.732 -0.558 2.533 246 2HG LYS 32 1HG LYS 32 11.395 -1.041 4.196 247 1HD LYS 32 2HD LYS 32 13.631 -0.956 4.521 248 2HD LYS 32 1HD LYS 32 13.704 -2.451 3.588 249 1HE LYS 32 2HE LYS 32 14.806 -1.398 1.934 250 2HE LYS 32 1HE LYS 32 13.493 -0.231 1.775 251 1HZ LYS 32 1HZ LYS 32 15.213 1.122 2.381 252 2HZ LYS 32 2HZ LYS 32 15.962 -0.054 3.350 253 3HZ LYS 32 3HZ LYS 32 14.579 0.758 3.911 254 H LYS 33 H LYS 33 11.507 -4.890 1.623 255 HA LYS 33 HA LYS 33 12.797 -4.856 -1.061 256 1HB LYS 33 2HB LYS 33 13.643 -5.835 1.432 257 2HB LYS 33 1HB LYS 33 13.250 -7.269 0.483 258 1HG LYS 33 2HG LYS 33 15.293 -7.015 -0.456 259 2HG LYS 33 1HG LYS 33 14.579 -5.668 -1.343 260 1HD LYS 33 2HD LYS 33 15.583 -4.084 -0.023 261 2HD LYS 33 1HD LYS 33 15.501 -5.089 1.424 262 1HE LYS 33 2HE LYS 33 17.812 -4.997 0.878 263 2HE LYS 33 1HE LYS 33 17.271 -6.571 0.296 264 1HZ LYS 33 1HZ LYS 33 18.195 -4.279 -1.186 265 2HZ LYS 33 2HZ LYS 33 16.774 -4.970 -1.810 266 3HZ LYS 33 3HZ LYS 33 18.172 -5.918 -1.624 267 H GLY 34 H GLY 34 11.309 -7.492 0.841 268 1HA GLY 34 2HA GLY 34 9.426 -7.976 -1.407 269 2HA GLY 34 1HA GLY 34 10.500 -9.290 -0.926 270 H ASN 35 H ASN 35 9.262 -7.058 1.461 271 HA ASN 35 HA ASN 35 7.206 -9.041 2.293 272 1HB ASN 35 2HB ASN 35 9.495 -8.014 3.985 273 2HB ASN 35 1HB ASN 35 8.030 -8.700 4.691 274 1HD2 ASN 35 1HD2 ASN 35 10.959 -9.734 4.462 275 2HD2 ASN 35 2HD2 ASN 35 10.773 -11.308 3.855 276 H ILE 36 H ILE 36 5.486 -7.641 1.910 277 HA ILE 36 HA ILE 36 5.390 -4.869 2.285 278 HB ILE 36 HB ILE 36 2.945 -5.137 2.569 279 1HG1 ILE 36 2HG1 ILE 36 3.728 -8.039 2.947 280 2HG1 ILE 36 1HG1 ILE 36 2.822 -7.014 4.062 281 1HG2 ILE 36 1HG2 ILE 36 3.785 -7.240 0.592 282 2HG2 ILE 36 2HG2 ILE 36 4.278 -5.564 0.346 283 3HG2 ILE 36 3HG2 ILE 36 2.565 -5.979 0.421 284 1HD1 ILE 36 1HD1 ILE 36 1.164 -8.336 2.999 285 2HD1 ILE 36 2HD1 ILE 36 1.917 -8.151 1.415 286 3HD1 ILE 36 3HD1 ILE 36 1.093 -6.784 2.165 287 H GLU 37 H GLU 37 5.472 -3.581 4.070 288 HA GLU 37 HA GLU 37 5.210 -4.922 6.729 289 1HB GLU 37 2HB GLU 37 6.742 -3.268 7.606 290 2HB GLU 37 1HB GLU 37 7.463 -3.954 6.149 291 1HG GLU 37 2HG GLU 37 6.641 -2.037 4.831 292 2HG GLU 37 1HG GLU 37 5.918 -1.348 6.285 293 H SER 38 H SER 38 3.515 -2.970 4.671 294 HA SER 38 HA SER 38 1.851 -1.972 6.877 295 1HB SER 38 2HB SER 38 2.134 0.327 5.302 296 2HB SER 38 1HB SER 38 2.761 0.086 6.931 297 HG SER 38 HG SER 38 4.545 0.493 5.782 298 H SER 39 H SER 39 -0.081 -2.719 6.152 299 HA SER 39 HA SER 39 -0.803 -2.155 3.303 300 1HB SER 39 2HB SER 39 -2.373 -4.255 4.593 301 2HB SER 39 1HB SER 39 -1.531 -4.280 3.046 302 HG SER 39 HG SER 39 -0.805 -5.362 5.383 303 H GLU 40 H GLU 40 -1.967 -0.261 3.601 304 HA GLU 40 HA GLU 40 -4.114 -0.300 5.675 305 1HB GLU 40 2HB GLU 40 -3.365 2.198 4.207 306 2HB GLU 40 1HB GLU 40 -3.900 1.997 5.875 307 1HG GLU 40 2HG GLU 40 -1.533 0.574 5.832 308 2HG GLU 40 1HG GLU 40 -1.182 1.937 4.768 309 H VAL 41 H VAL 41 -6.204 0.649 5.046 310 HA VAL 41 HA VAL 41 -6.734 0.478 2.110 311 HB VAL 41 HB VAL 41 -8.737 -0.427 4.178 312 1HG1 VAL 41 1HG1 VAL 41 -8.564 -0.260 1.287 313 2HG1 VAL 41 2HG1 VAL 41 -9.960 -0.636 2.296 314 3HG1 VAL 41 3HG1 VAL 41 -8.860 -1.921 1.797 315 1HG2 VAL 41 1HG2 VAL 41 -7.209 -2.044 4.719 316 2HG2 VAL 41 2HG2 VAL 41 -6.275 -1.797 3.245 317 3HG2 VAL 41 3HG2 VAL 41 -7.748 -2.764 3.202 318 H ILE 42 H ILE 42 -7.580 2.375 1.402 319 HA ILE 42 HA ILE 42 -8.974 4.108 3.399 320 HB ILE 42 HB ILE 42 -7.575 4.881 0.820 321 1HG1 ILE 42 2HG1 ILE 42 -6.337 6.133 2.972 322 2HG1 ILE 42 1HG1 ILE 42 -6.671 4.511 3.581 323 1HG2 ILE 42 1HG2 ILE 42 -8.451 6.953 1.063 324 2HG2 ILE 42 2HG2 ILE 42 -8.155 6.958 2.802 325 3HG2 ILE 42 3HG2 ILE 42 -9.614 6.206 2.159 326 1HD1 ILE 42 1HD1 ILE 42 -5.410 4.973 0.874 327 2HD1 ILE 42 2HD1 ILE 42 -5.453 3.482 1.816 328 3HD1 ILE 42 3HD1 ILE 42 -4.445 4.829 2.343 329 H GLU 43 H GLU 43 -11.016 4.917 2.875 330 HA GLU 43 HA GLU 43 -12.402 3.521 0.677 331 1HB GLU 43 2HB GLU 43 -13.297 5.266 2.973 332 2HB GLU 43 1HB GLU 43 -14.403 4.830 1.671 333 1HG GLU 43 2HG GLU 43 -13.354 2.393 2.225 334 2HG GLU 43 1HG GLU 43 -13.252 3.138 3.821 335 H ASN 44 H ASN 44 -13.703 4.751 -0.895 336 HA ASN 44 HA ASN 44 -12.536 7.455 -1.427 337 1HB ASN 44 2HB ASN 44 -12.189 5.312 -3.020 338 2HB ASN 44 1HB ASN 44 -13.726 5.895 -3.662 339 1HD2 ASN 44 1HD2 ASN 44 -10.727 6.054 -4.619 340 2HD2 ASN 44 2HD2 ASN 44 -10.567 7.682 -5.070 341 HA PRO 45 HA PRO 45 -16.942 8.301 -0.846 342 1HB PRO 45 2HB PRO 45 -16.539 10.930 -0.147 343 2HB PRO 45 1HB PRO 45 -16.426 9.582 0.998 344 1HG PRO 45 2HG PRO 45 -14.234 11.186 -0.235 345 2HG PRO 45 1HG PRO 45 -14.258 10.321 1.311 346 1HD PRO 45 2HD PRO 45 -13.020 9.420 -1.066 347 2HD PRO 45 1HD PRO 45 -13.359 8.432 0.371 348 H SER 46 H SER 46 -18.029 10.675 -1.608 349 HA SER 46 HA SER 46 -18.731 11.835 -3.526 350 1HB SER 46 2HB SER 46 -15.780 11.965 -3.487 351 2HB SER 46 1HB SER 46 -16.508 12.264 -5.063 352 HG SER 46 HG SER 46 -18.003 13.642 -3.612 353 H ALA 47 H ALA 47 -18.800 8.938 -3.608 354 HA ALA 47 HA ALA 47 -17.786 8.013 -6.159 355 1HB ALA 47 1HB ALA 47 -19.992 6.873 -4.415 356 2HB ALA 47 2HB ALA 47 -18.280 6.467 -4.289 357 3HB ALA 47 3HB ALA 47 -19.185 6.030 -5.739 358 H SER 48 H SER 48 -21.119 8.718 -5.034 359 HA SER 48 HA SER 48 -21.764 9.439 -7.863 360 1HB SER 48 2HB SER 48 -23.997 8.404 -6.243 361 2HB SER 48 1HB SER 48 -23.563 8.052 -7.914 362 HG SER 48 HG SER 48 -22.609 6.907 -5.522 363 H ALA 49 H ALA 49 -21.169 11.617 -6.828 364 HA ALA 49 HA ALA 49 -23.678 12.858 -5.852 365 1HB ALA 49 1HB ALA 49 -22.879 12.940 -3.736 366 2HB ALA 49 2HB ALA 49 -21.749 14.153 -4.336 367 3HB ALA 49 3HB ALA 49 -21.260 12.461 -4.245 368 H SER 50 H SER 50 -20.470 14.313 -5.729 369 HA SER 50 HA SER 50 -21.139 16.635 -7.143 370 1HB SER 50 2HB SER 50 -19.054 16.699 -6.055 371 2HB SER 50 1HB SER 50 -18.534 15.170 -6.759 372 HG SER 50 HG SER 50 -18.377 16.208 -8.758 373 H GLY 51 H GLY 51 -19.990 13.527 -8.420 374 1HA GLY 51 2HA GLY 51 -21.346 13.712 -10.876 375 2HA GLY 51 1HA GLY 51 -19.747 14.406 -11.148 376 H GLY 52 H GLY 52 -19.664 12.438 -12.648 377 1HA GLY 52 2HA GLY 52 -19.113 9.907 -11.188 378 2HA GLY 52 1HA GLY 52 -19.324 10.055 -12.933 379 H ALA 53 H ALA 53 -17.084 10.744 -10.275 380 HA ALA 53 HA ALA 53 -14.922 11.497 -12.094 381 1HB ALA 53 1HB ALA 53 -14.013 10.717 -9.461 382 2HB ALA 53 2HB ALA 53 -15.432 11.756 -9.332 383 3HB ALA 53 3HB ALA 53 -14.006 12.314 -10.207 384 H GLY 54 H GLY 54 -13.526 10.105 -13.058 385 1HA GLY 54 2HA GLY 54 -13.121 7.412 -11.862 386 2HA GLY 54 1HA GLY 54 -13.641 7.510 -13.546 387 H ILE 55 H ILE 55 -12.212 9.253 -14.805 388 HA ILE 55 HA ILE 55 -9.485 8.238 -14.695 389 HB ILE 55 HB ILE 55 -10.564 10.569 -16.306 390 1HG1 ILE 55 2HG1 ILE 55 -11.950 8.643 -16.774 391 2HG1 ILE 55 1HG1 ILE 55 -10.814 8.817 -18.111 392 1HG2 ILE 55 1HG2 ILE 55 -8.277 10.663 -16.622 393 2HG2 ILE 55 2HG2 ILE 55 -8.686 9.467 -17.852 394 3HG2 ILE 55 3HG2 ILE 55 -8.055 8.945 -16.291 395 1HD1 ILE 55 1HD1 ILE 55 -9.349 7.226 -16.495 396 2HD1 ILE 55 2HD1 ILE 55 -10.462 6.588 -17.706 397 3HD1 ILE 55 3HD1 ILE 55 -10.968 6.710 -16.021 398 H ARG 56 H ARG 56 -11.176 10.866 -13.258 399 HA ARG 56 HA ARG 56 -8.865 12.608 -12.921 400 1HB ARG 56 2HB ARG 56 -11.637 12.846 -12.556 401 2HB ARG 56 1HB ARG 56 -10.956 12.982 -10.935 402 1HG ARG 56 2HG ARG 56 -10.552 15.146 -11.472 403 2HG ARG 56 1HG ARG 56 -9.221 14.514 -12.442 404 1HD ARG 56 2HD ARG 56 -10.384 15.765 -14.029 405 2HD ARG 56 1HD ARG 56 -11.095 14.167 -14.260 406 HE ARG 56 HE ARG 56 -13.050 14.933 -12.974 407 1HH1 ARG 56 1HH2 ARG 56 -11.368 17.124 -14.865 408 2HH1 ARG 56 2HH2 ARG 56 -12.120 18.541 -14.211 409 1HH2 ARG 56 2HH1 ARG 56 -13.740 16.830 -11.667 410 2HH2 ARG 56 1HH1 ARG 56 -13.463 18.375 -12.399 411 H THR 57 H THR 57 -10.008 9.764 -11.395 412 HA THR 57 HA THR 57 -8.934 10.267 -8.751 413 HB THR 57 HB THR 57 -10.692 8.528 -9.350 414 HG1 THR 57 HG1 THR 57 -10.108 7.804 -7.489 415 1HG2 THR 57 1HG2 THR 57 -8.462 6.658 -9.999 416 2HG2 THR 57 2HG2 THR 57 -9.018 7.738 -11.278 417 3HG2 THR 57 3HG2 THR 57 -10.148 6.619 -10.515 418 H ALA 58 H ALA 58 -7.601 9.189 -11.785 419 HA ALA 58 HA ALA 58 -5.294 7.813 -10.845 420 1HB ALA 58 1HB ALA 58 -5.647 9.539 -13.316 421 2HB ALA 58 2HB ALA 58 -5.917 7.800 -13.210 422 3HB ALA 58 3HB ALA 58 -4.287 8.452 -13.038 423 H GLN 59 H GLN 59 -5.956 11.265 -11.261 424 HA GLN 59 HA GLN 59 -3.247 12.118 -10.708 425 1HB GLN 59 2HB GLN 59 -5.691 13.800 -10.177 426 2HB GLN 59 1HB GLN 59 -4.104 14.311 -10.753 427 1HG GLN 59 2HG GLN 59 -4.759 12.624 -12.749 428 2HG GLN 59 1HG GLN 59 -6.378 13.133 -12.267 429 1HE2 GLN 59 1HE2 GLN 59 -5.786 14.021 -14.729 430 2HE2 GLN 59 2HE2 GLN 59 -5.316 15.653 -14.734 431 H ILE 60 H ILE 60 -5.941 11.143 -8.741 432 HA ILE 60 HA ILE 60 -5.006 12.450 -6.309 433 HB ILE 60 HB ILE 60 -6.891 10.089 -6.557 434 1HG1 ILE 60 2HG1 ILE 60 -7.778 11.812 -7.974 435 2HG1 ILE 60 1HG1 ILE 60 -8.662 11.918 -6.452 436 1HG2 ILE 60 1HG2 ILE 60 -6.088 11.991 -4.403 437 2HG2 ILE 60 2HG2 ILE 60 -6.535 10.290 -4.289 438 3HG2 ILE 60 3HG2 ILE 60 -7.786 11.519 -4.472 439 1HD1 ILE 60 1HD1 ILE 60 -6.414 13.692 -7.419 440 2HD1 ILE 60 2HD1 ILE 60 -6.927 13.656 -5.733 441 3HD1 ILE 60 3HD1 ILE 60 -8.058 14.161 -6.988 442 H ILE 61 H ILE 61 -5.088 9.030 -7.381 443 HA ILE 61 HA ILE 61 -3.454 8.095 -5.208 444 HB ILE 61 HB ILE 61 -3.072 6.119 -6.843 445 1HG1 ILE 61 2HG1 ILE 61 -5.423 6.980 -8.377 446 2HG1 ILE 61 1HG1 ILE 61 -4.001 7.981 -8.676 447 1HG2 ILE 61 1HG2 ILE 61 -5.225 5.226 -6.317 448 2HG2 ILE 61 2HG2 ILE 61 -5.957 6.829 -6.273 449 3HG2 ILE 61 3HG2 ILE 61 -4.834 6.337 -5.004 450 1HD1 ILE 61 1HD1 ILE 61 -2.701 6.120 -9.373 451 2HD1 ILE 61 2HD1 ILE 61 -4.269 5.887 -10.146 452 3HD1 ILE 61 3HD1 ILE 61 -3.852 4.964 -8.702 453 H ALA 62 H ALA 62 -2.728 9.513 -8.323 454 HA ALA 62 HA ALA 62 0.003 8.650 -8.516 455 1HB ALA 62 1HB ALA 62 0.163 10.854 -9.921 456 2HB ALA 62 2HB ALA 62 -1.585 10.915 -9.696 457 3HB ALA 62 3HB ALA 62 -0.849 9.536 -10.512 458 H ASN 63 H ASN 63 -1.562 11.348 -6.858 459 HA ASN 63 HA ASN 63 0.954 12.648 -6.167 460 1HB ASN 63 2HB ASN 63 -1.928 13.079 -5.633 461 2HB ASN 63 1HB ASN 63 -0.835 13.640 -4.368 462 1HD2 ASN 63 1HD2 ASN 63 -1.744 14.090 -7.767 463 2HD2 ASN 63 2HD2 ASN 63 -0.888 15.540 -7.985 464 H ASN 64 H ASN 64 -0.652 9.890 -5.040 465 HA ASN 64 HA ASN 64 0.209 10.142 -2.244 466 1HB ASN 64 2HB ASN 64 -1.403 8.255 -3.844 467 2HB ASN 64 1HB ASN 64 -0.442 7.502 -2.570 468 1HD2 ASN 64 1HD2 ASN 64 -2.325 7.076 -1.219 469 2HD2 ASN 64 2HD2 ASN 64 -3.155 8.331 -0.434 470 H GLY 65 H GLY 65 1.645 9.199 -5.181 471 1HA GLY 65 2HA GLY 65 4.012 8.705 -5.327 472 2HA GLY 65 1HA GLY 65 3.954 8.088 -3.675 473 H VAL 66 H VAL 66 1.257 6.911 -5.176 474 HA VAL 66 HA VAL 66 1.954 4.208 -5.109 475 HB VAL 66 HB VAL 66 0.101 3.824 -6.686 476 1HG1 VAL 66 1HG1 VAL 66 -0.816 4.173 -4.591 477 2HG1 VAL 66 2HG1 VAL 66 -1.559 5.512 -5.465 478 3HG1 VAL 66 3HG1 VAL 66 -0.144 5.798 -4.452 479 1HG2 VAL 66 1HG2 VAL 66 -1.051 6.073 -7.432 480 2HG2 VAL 66 2HG2 VAL 66 0.293 5.429 -8.374 481 3HG2 VAL 66 3HG2 VAL 66 0.567 6.743 -7.230 482 H LYS 67 H LYS 67 3.955 3.666 -5.951 483 HA LYS 67 HA LYS 67 4.743 4.516 -8.637 484 1HB LYS 67 2HB LYS 67 5.949 3.018 -6.398 485 2HB LYS 67 1HB LYS 67 6.407 2.420 -7.992 486 1HG LYS 67 2HG LYS 67 6.464 5.297 -8.011 487 2HG LYS 67 1HG LYS 67 7.417 4.706 -6.650 488 1HD LYS 67 2HD LYS 67 8.897 4.809 -8.542 489 2HD LYS 67 1HD LYS 67 8.540 3.104 -8.262 490 1HE LYS 67 2HE LYS 67 7.779 2.944 -10.371 491 2HE LYS 67 1HE LYS 67 6.507 4.100 -9.977 492 1HZ LYS 67 1HZ LYS 67 8.948 4.488 -11.450 493 2HZ LYS 67 2HZ LYS 67 8.675 5.677 -10.269 494 3HZ LYS 67 3HZ LYS 67 7.512 5.390 -11.474 495 H ALA 68 H ALA 68 2.718 2.142 -7.318 496 HA ALA 68 HA ALA 68 2.630 0.754 -9.953 497 1HB ALA 68 1HB ALA 68 3.995 -0.547 -8.180 498 2HB ALA 68 2HB ALA 68 2.690 -1.416 -8.986 499 3HB ALA 68 3HB ALA 68 2.455 -0.785 -7.356 500 H VAL 69 H VAL 69 0.517 0.721 -10.629 501 HA VAL 69 HA VAL 69 -1.591 0.880 -8.508 502 HB VAL 69 HB VAL 69 -1.485 2.308 -11.179 503 1HG1 VAL 69 1HG1 VAL 69 -3.698 3.243 -10.466 504 2HG1 VAL 69 2HG1 VAL 69 -3.711 2.089 -9.132 505 3HG1 VAL 69 3HG1 VAL 69 -3.752 1.512 -10.799 506 1HG2 VAL 69 1HG2 VAL 69 -0.210 3.465 -9.488 507 2HG2 VAL 69 2HG2 VAL 69 -1.481 3.223 -8.289 508 3HG2 VAL 69 3HG2 VAL 69 -1.748 4.313 -9.649 509 H ILE 70 H ILE 70 -2.994 -0.802 -8.613 510 HA ILE 70 HA ILE 70 -3.076 -2.380 -11.145 511 HB ILE 70 HB ILE 70 -3.824 -3.099 -8.296 512 1HG1 ILE 70 2HG1 ILE 70 -2.021 -4.923 -9.011 513 2HG1 ILE 70 1HG1 ILE 70 -1.530 -3.660 -10.138 514 1HG2 ILE 70 1HG2 ILE 70 -4.357 -5.324 -9.167 515 2HG2 ILE 70 2HG2 ILE 70 -3.977 -4.797 -10.807 516 3HG2 ILE 70 3HG2 ILE 70 -5.371 -4.121 -9.963 517 1HD1 ILE 70 1HD1 ILE 70 -0.855 -2.226 -8.457 518 2HD1 ILE 70 2HD1 ILE 70 -0.530 -3.770 -7.670 519 3HD1 ILE 70 3HD1 ILE 70 -2.006 -2.882 -7.292 520 H ALA 71 H ALA 71 -4.640 -1.272 -12.331 521 HA ALA 71 HA ALA 71 -7.376 -1.265 -11.129 522 1HB ALA 71 1HB ALA 71 -5.836 0.990 -12.006 523 2HB ALA 71 2HB ALA 71 -7.479 0.970 -11.365 524 3HB ALA 71 3HB ALA 71 -7.206 0.787 -13.098 525 H SER 72 H SER 72 -9.055 -1.036 -12.994 526 HA SER 72 HA SER 72 -8.101 -2.409 -15.458 527 1HB SER 72 2HB SER 72 -9.396 -3.786 -13.448 528 2HB SER 72 1HB SER 72 -10.726 -3.338 -14.513 529 HG SER 72 HG SER 72 -9.250 -4.137 -16.241 530 H SER 73 H SER 73 -8.895 0.361 -14.953 531 HA SER 73 HA SER 73 -11.496 1.088 -15.570 532 1HB SER 73 2HB SER 73 -10.241 2.993 -15.430 533 2HB SER 73 1HB SER 73 -8.828 2.233 -16.158 534 HG SER 73 HG SER 73 -9.502 3.533 -17.735 535 HA PRO 74 HA PRO 74 -12.345 -0.584 -19.542 536 1HB PRO 74 2HB PRO 74 -14.324 1.164 -20.309 537 2HB PRO 74 1HB PRO 74 -14.562 -0.118 -19.109 538 1HG PRO 74 2HG PRO 74 -14.281 2.819 -18.684 539 2HG PRO 74 1HG PRO 74 -15.109 1.615 -17.684 540 1HD PRO 74 2HD PRO 74 -12.557 2.728 -17.168 541 2HD PRO 74 1HD PRO 74 -13.256 1.303 -16.371 542 H GLY 75 H GLY 75 -12.155 2.997 -19.491 543 1HA GLY 75 2HA GLY 75 -11.248 3.044 -22.285 544 2HA GLY 75 1HA GLY 75 -11.478 4.453 -21.248 545 HA PRO 76 HA PRO 76 -6.974 2.835 -21.191 546 1HB PRO 76 2HB PRO 76 -5.971 3.604 -23.633 547 2HB PRO 76 1HB PRO 76 -6.627 1.990 -23.309 548 1HG PRO 76 2HG PRO 76 -7.846 4.235 -24.845 549 2HG PRO 76 1HG PRO 76 -8.118 2.491 -24.999 550 1HD PRO 76 2HD PRO 76 -9.831 4.330 -23.693 551 2HD PRO 76 1HD PRO 76 -9.919 2.559 -23.583 552 H ASN 77 H ASN 77 -8.695 5.648 -21.696 553 HA ASN 77 HA ASN 77 -6.685 7.627 -22.087 554 1HB ASN 77 2HB ASN 77 -9.438 7.585 -20.928 555 2HB ASN 77 1HB ASN 77 -8.429 8.993 -20.592 556 1HD2 ASN 77 1HD2 ASN 77 -8.712 6.934 -23.544 557 2HD2 ASN 77 2HD2 ASN 77 -9.064 8.226 -24.587 558 H ALA 78 H ALA 78 -7.722 5.882 -19.204 559 HA ALA 78 HA ALA 78 -6.319 7.566 -17.324 560 1HB ALA 78 1HB ALA 78 -8.120 5.519 -17.085 561 2HB ALA 78 2HB ALA 78 -7.154 6.148 -15.750 562 3HB ALA 78 3HB ALA 78 -6.622 4.712 -16.624 563 H PHE 79 H PHE 79 -5.521 4.344 -18.677 564 HA PHE 79 HA PHE 79 -2.949 4.099 -17.551 565 1HB PHE 79 2HB PHE 79 -3.770 3.177 -20.320 566 2HB PHE 79 1HB PHE 79 -2.479 2.506 -19.325 567 HD1 PHE 79 HD1 PHE 79 -4.844 0.934 -20.450 568 HD2 PHE 79 HD2 PHE 79 -4.255 2.953 -16.701 569 HE1 PHE 79 HE1 PHE 79 -6.468 -0.597 -19.369 570 HE2 PHE 79 HE2 PHE 79 -5.881 1.421 -15.621 571 HZ PHE 79 HZ PHE 79 -6.987 -0.355 -16.955 572 H GLU 80 H GLU 80 -4.055 6.138 -20.151 573 HA GLU 80 HA GLU 80 -1.449 6.618 -21.325 574 1HB GLU 80 2HB GLU 80 -4.123 7.336 -21.894 575 2HB GLU 80 1HB GLU 80 -3.251 8.850 -21.655 576 1HG GLU 80 2HG GLU 80 -2.582 6.623 -23.593 577 2HG GLU 80 1HG GLU 80 -3.010 8.291 -23.976 578 H VAL 81 H VAL 81 -3.367 8.203 -18.795 579 HA VAL 81 HA VAL 81 -1.501 10.417 -18.501 580 HB VAL 81 HB VAL 81 -3.657 9.394 -16.628 581 1HG1 VAL 81 1HG1 VAL 81 -3.264 11.206 -15.277 582 2HG1 VAL 81 2HG1 VAL 81 -2.744 12.224 -16.621 583 3HG1 VAL 81 3HG1 VAL 81 -1.632 11.042 -15.929 584 1HG2 VAL 81 1HG2 VAL 81 -4.110 10.332 -19.091 585 2HG2 VAL 81 2HG2 VAL 81 -3.902 11.880 -18.271 586 3HG2 VAL 81 3HG2 VAL 81 -5.157 10.760 -17.738 587 H LEU 82 H LEU 82 -1.986 7.287 -16.913 588 HA LEU 82 HA LEU 82 -0.199 7.702 -14.728 589 1HB LEU 82 2HB LEU 82 -1.116 5.230 -16.200 590 2HB LEU 82 1HB LEU 82 0.024 5.135 -14.857 591 HG LEU 82 HG LEU 82 -2.154 6.862 -14.121 592 1HD1 LEU 82 1HD1 LEU 82 -3.761 5.850 -15.426 593 2HD1 LEU 82 2HD1 LEU 82 -3.756 4.713 -14.077 594 3HD1 LEU 82 3HD1 LEU 82 -2.859 4.339 -15.549 595 1HD2 LEU 82 1HD2 LEU 82 -1.604 4.072 -13.100 596 2HD2 LEU 82 2HD2 LEU 82 -2.205 5.466 -12.203 597 3HD2 LEU 82 3HD2 LEU 82 -0.524 5.416 -12.733 598 H ASN 83 H ASN 83 0.357 6.657 -18.068 599 HA ASN 83 HA ASN 83 3.159 6.025 -17.646 600 1HB ASN 83 2HB ASN 83 1.758 5.127 -19.537 601 2HB ASN 83 1HB ASN 83 1.774 6.741 -20.248 602 1HD2 ASN 83 1HD2 ASN 83 3.358 6.912 -21.832 603 2HD2 ASN 83 2HD2 ASN 83 4.869 6.140 -21.792 604 H GLU 84 H GLU 84 1.354 8.933 -18.288 605 HA GLU 84 HA GLU 84 3.632 10.467 -19.261 606 1HB GLU 84 2HB GLU 84 1.347 11.127 -19.861 607 2HB GLU 84 1HB GLU 84 0.951 11.362 -18.158 608 1HG GLU 84 2HG GLU 84 3.104 12.944 -18.267 609 2HG GLU 84 1HG GLU 84 2.629 13.045 -19.963 610 H LEU 85 H LEU 85 2.115 9.870 -16.130 611 HA LEU 85 HA LEU 85 3.684 11.909 -14.758 612 1HB LEU 85 2HB LEU 85 1.593 9.979 -14.071 613 2HB LEU 85 1HB LEU 85 2.835 10.103 -12.824 614 HG LEU 85 HG LEU 85 2.550 12.699 -13.246 615 1HD1 LEU 85 1HD1 LEU 85 0.791 11.905 -15.106 616 2HD1 LEU 85 2HD1 LEU 85 0.573 13.401 -14.198 617 3HD1 LEU 85 3HD1 LEU 85 -0.296 11.943 -13.717 618 1HD2 LEU 85 1HD2 LEU 85 1.327 10.761 -11.467 619 2HD2 LEU 85 2HD2 LEU 85 0.250 12.135 -11.720 620 3HD2 LEU 85 3HD2 LEU 85 1.884 12.397 -11.111 621 H GLY 86 H GLY 86 4.140 8.580 -15.658 622 1HA GLY 86 2HA GLY 86 6.364 7.602 -15.693 623 2HA GLY 86 1HA GLY 86 6.820 8.673 -14.368 624 H ILE 87 H ILE 87 3.746 7.094 -14.168 625 HA ILE 87 HA ILE 87 4.799 5.457 -11.920 626 HB ILE 87 HB ILE 87 1.983 6.238 -12.728 627 1HG1 ILE 87 2HG1 ILE 87 3.084 6.855 -10.051 628 2HG1 ILE 87 1HG1 ILE 87 3.868 7.696 -11.388 629 1HG2 ILE 87 1HG2 ILE 87 2.043 3.954 -11.771 630 2HG2 ILE 87 2HG2 ILE 87 1.268 5.093 -10.670 631 3HG2 ILE 87 3HG2 ILE 87 2.926 4.571 -10.373 632 1HD1 ILE 87 1HD1 ILE 87 1.004 7.829 -10.490 633 2HD1 ILE 87 2HD1 ILE 87 1.404 8.161 -12.175 634 3HD1 ILE 87 3HD1 ILE 87 2.105 9.147 -10.892 635 H LYS 88 H LYS 88 4.077 3.193 -11.757 636 HA LYS 88 HA LYS 88 4.026 1.916 -14.424 637 1HB LYS 88 2HB LYS 88 4.316 0.800 -11.620 638 2HB LYS 88 1HB LYS 88 4.297 -0.197 -13.075 639 1HG LYS 88 2HG LYS 88 6.262 2.048 -12.524 640 2HG LYS 88 1HG LYS 88 6.614 0.327 -12.361 641 1HD LYS 88 2HD LYS 88 7.054 0.182 -14.562 642 2HD LYS 88 1HD LYS 88 5.443 0.793 -14.941 643 1HE LYS 88 2HE LYS 88 6.902 3.029 -14.043 644 2HE LYS 88 1HE LYS 88 7.990 2.156 -15.122 645 1HZ LYS 88 1HZ LYS 88 5.286 3.204 -15.707 646 2HZ LYS 88 2HZ LYS 88 6.036 2.042 -16.695 647 3HZ LYS 88 3HZ LYS 88 6.745 3.571 -16.488 648 H ILE 89 H ILE 89 2.165 1.114 -15.301 649 HA ILE 89 HA ILE 89 -0.270 1.133 -13.593 650 HB ILE 89 HB ILE 89 -0.103 0.768 -16.596 651 1HG1 ILE 89 2HG1 ILE 89 -0.924 3.376 -15.435 652 2HG1 ILE 89 1HG1 ILE 89 0.795 2.995 -15.322 653 1HG2 ILE 89 1HG2 ILE 89 -2.399 1.003 -16.595 654 2HG2 ILE 89 2HG2 ILE 89 -2.401 2.010 -15.147 655 3HG2 ILE 89 3HG2 ILE 89 -2.197 0.265 -15.007 656 1HD1 ILE 89 1HD1 ILE 89 -0.266 2.315 -17.943 657 2HD1 ILE 89 2HD1 ILE 89 1.100 3.350 -17.527 658 3HD1 ILE 89 3HD1 ILE 89 -0.533 4.016 -17.564 659 H TYR 90 H TYR 90 -1.648 -0.728 -13.523 660 HA TYR 90 HA TYR 90 -0.488 -3.250 -14.602 661 1HB TYR 90 2HB TYR 90 -0.629 -2.463 -11.811 662 2HB TYR 90 1HB TYR 90 -1.591 -3.913 -12.099 663 HD1 TYR 90 HD1 TYR 90 -0.464 -5.924 -11.821 664 HD2 TYR 90 HD2 TYR 90 1.694 -2.506 -13.276 665 HE1 TYR 90 HE1 TYR 90 1.609 -7.281 -11.930 666 HE2 TYR 90 HE2 TYR 90 3.768 -3.863 -13.386 667 HH TYR 90 HH TYR 90 4.364 -6.293 -13.599 668 H ARG 91 H ARG 91 -2.067 -4.726 -15.257 669 HA ARG 91 HA ARG 91 -4.840 -3.685 -15.258 670 1HB ARG 91 2HB ARG 91 -3.615 -4.646 -17.323 671 2HB ARG 91 1HB ARG 91 -3.913 -6.225 -16.595 672 1HG ARG 91 2HG ARG 91 -5.769 -5.833 -18.041 673 2HG ARG 91 1HG ARG 91 -6.366 -5.516 -16.412 674 1HD ARG 91 2HD ARG 91 -7.080 -3.549 -17.310 675 2HD ARG 91 1HD ARG 91 -5.401 -3.055 -17.099 676 HE ARG 91 HE ARG 91 -5.040 -3.406 -19.459 677 1HH1 ARG 91 2HH1 ARG 91 -7.819 -2.046 -19.268 678 2HH1 ARG 91 1HH1 ARG 91 -8.693 -2.968 -20.445 679 1HH2 ARG 91 1HH2 ARG 91 -6.335 -5.508 -20.596 680 2HH2 ARG 91 2HH2 ARG 91 -7.853 -4.930 -21.196 681 H ALA 92 H ALA 92 -6.381 -4.482 -13.920 682 HA ALA 92 HA ALA 92 -5.682 -6.602 -12.026 683 1HB ALA 92 1HB ALA 92 -8.486 -5.630 -12.230 684 2HB ALA 92 2HB ALA 92 -7.268 -4.429 -11.804 685 3HB ALA 92 3HB ALA 92 -7.479 -5.865 -10.802 686 H THR 93 H THR 93 -5.986 -8.727 -12.461 687 HA THR 93 HA THR 93 -7.440 -9.594 -14.821 688 HB THR 93 HB THR 93 -7.053 -11.902 -13.534 689 HG1 THR 93 HG1 THR 93 -6.149 -11.492 -11.690 690 1HG2 THR 93 1HG2 THR 93 -4.472 -11.406 -14.303 691 2HG2 THR 93 2HG2 THR 93 -5.346 -10.152 -15.183 692 3HG2 THR 93 3HG2 THR 93 -5.771 -11.848 -15.409 693 H GLY 94 H GLY 94 -8.190 -9.248 -11.416 694 1HA GLY 94 2HA GLY 94 -10.473 -9.075 -10.630 695 2HA GLY 94 1HA GLY 94 -10.996 -10.006 -12.035 696 H THR 95 H THR 95 -8.752 -10.474 -9.276 697 HA THR 95 HA THR 95 -10.054 -13.132 -8.850 698 HB THR 95 HB THR 95 -7.603 -13.746 -8.042 699 HG1 THR 95 HG1 THR 95 -6.249 -12.652 -9.776 700 1HG2 THR 95 1HG2 THR 95 -7.864 -15.150 -9.773 701 2HG2 THR 95 2HG2 THR 95 -7.421 -13.858 -10.890 702 3HG2 THR 95 3HG2 THR 95 -9.109 -14.094 -10.440 703 H SER 96 H SER 96 -7.645 -10.971 -7.295 704 HA SER 96 HA SER 96 -9.309 -10.458 -5.007 705 1HB SER 96 2HB SER 96 -8.341 -12.998 -4.915 706 2HB SER 96 1HB SER 96 -7.028 -12.133 -4.122 707 HG SER 96 HG SER 96 -8.298 -12.198 -2.449 708 H VAL 97 H VAL 97 -8.276 -8.980 -3.556 709 HA VAL 97 HA VAL 97 -6.119 -7.453 -4.740 710 HB VAL 97 HB VAL 97 -6.217 -6.252 -2.463 711 1HG1 VAL 97 1HG1 VAL 97 -8.972 -6.241 -3.535 712 2HG1 VAL 97 2HG1 VAL 97 -7.706 -6.001 -4.740 713 3HG1 VAL 97 3HG1 VAL 97 -7.828 -4.911 -3.358 714 1HG2 VAL 97 1HG2 VAL 97 -7.262 -8.385 -1.416 715 2HG2 VAL 97 2HG2 VAL 97 -8.770 -7.829 -2.143 716 3HG2 VAL 97 3HG2 VAL 97 -7.943 -6.826 -0.952 717 H GLU 98 H GLU 98 -6.345 -9.859 -2.163 718 HA GLU 98 HA GLU 98 -3.709 -9.468 -1.098 719 1HB GLU 98 2HB GLU 98 -5.889 -11.125 -0.532 720 2HB GLU 98 1HB GLU 98 -4.607 -12.239 -1.009 721 1HG GLU 98 2HG GLU 98 -3.082 -10.909 0.573 722 2HG GLU 98 1HG GLU 98 -4.562 -10.189 1.209 723 H GLU 99 H GLU 99 -4.935 -11.893 -3.434 724 HA GLU 99 HA GLU 99 -2.421 -13.062 -4.037 725 1HB GLU 99 2HB GLU 99 -4.520 -14.085 -4.759 726 2HB GLU 99 1HB GLU 99 -4.859 -12.707 -5.808 727 1HG GLU 99 2HG GLU 99 -2.229 -13.686 -6.404 728 2HG GLU 99 1HG GLU 99 -3.356 -15.042 -6.434 729 H ASN 100 H ASN 100 -4.102 -10.323 -5.593 730 HA ASN 100 HA ASN 100 -2.158 -9.852 -7.621 731 1HB ASN 100 2HB ASN 100 -4.362 -8.316 -6.365 732 2HB ASN 100 1HB ASN 100 -3.108 -7.354 -7.148 733 1HD2 ASN 100 1HD2 ASN 100 -4.994 -10.359 -7.856 734 2HD2 ASN 100 2HD2 ASN 100 -5.243 -9.984 -9.493 735 H LEU 101 H LEU 101 -2.241 -8.954 -4.221 736 HA LEU 101 HA LEU 101 -0.216 -6.940 -4.298 737 1HB LEU 101 2HB LEU 101 -1.556 -7.189 -2.308 738 2HB LEU 101 1HB LEU 101 -1.039 -8.864 -2.108 739 HG LEU 101 HG LEU 101 1.262 -8.146 -1.712 740 1HD1 LEU 101 1HD1 LEU 101 1.671 -5.643 -1.478 741 2HD1 LEU 101 2HD1 LEU 101 0.120 -5.400 -2.280 742 3HD1 LEU 101 3HD1 LEU 101 1.433 -6.216 -3.129 743 1HD2 LEU 101 1HD2 LEU 101 0.172 -8.207 0.344 744 2HD2 LEU 101 2HD2 LEU 101 -0.962 -6.932 -0.104 745 3HD2 LEU 101 3HD2 LEU 101 0.704 -6.526 0.309 746 H LYS 102 H LYS 102 0.094 -10.405 -3.411 747 HA LYS 102 HA LYS 102 2.994 -10.282 -3.493 748 1HB LYS 102 2HB LYS 102 2.014 -11.944 -2.068 749 2HB LYS 102 1HB LYS 102 1.029 -12.583 -3.385 750 1HG LYS 102 2HG LYS 102 3.947 -12.542 -3.892 751 2HG LYS 102 1HG LYS 102 3.412 -13.662 -2.637 752 1HD LYS 102 2HD LYS 102 2.335 -13.518 -5.469 753 2HD LYS 102 1HD LYS 102 3.390 -14.776 -4.823 754 1HE LYS 102 2HE LYS 102 1.530 -15.890 -4.203 755 2HE LYS 102 1HE LYS 102 1.264 -14.625 -3.004 756 1HZ LYS 102 1HZ LYS 102 -0.332 -13.667 -4.235 757 2HZ LYS 102 2HZ LYS 102 -0.454 -15.201 -4.954 758 3HZ LYS 102 3HZ LYS 102 0.449 -13.977 -5.709 759 H LEU 103 H LEU 103 0.593 -10.481 -5.888 760 HA LEU 103 HA LEU 103 2.080 -12.099 -7.799 761 1HB LEU 103 2HB LEU 103 -0.510 -11.411 -7.661 762 2HB LEU 103 1HB LEU 103 0.048 -10.123 -8.727 763 HG LEU 103 HG LEU 103 1.287 -12.407 -9.735 764 1HD1 LEU 103 1HD1 LEU 103 -0.565 -14.013 -10.022 765 2HD1 LEU 103 2HD1 LEU 103 -1.597 -13.008 -9.005 766 3HD1 LEU 103 3HD1 LEU 103 -0.181 -13.798 -8.314 767 1HD2 LEU 103 1HD2 LEU 103 -1.253 -11.856 -11.032 768 2HD2 LEU 103 2HD2 LEU 103 0.383 -11.525 -11.606 769 3HD2 LEU 103 3HD2 LEU 103 -0.445 -10.356 -10.575 770 H PHE 104 H PHE 104 1.524 -8.604 -7.354 771 HA PHE 104 HA PHE 104 3.257 -7.893 -9.585 772 1HB PHE 104 2HB PHE 104 1.537 -6.328 -9.052 773 2HB PHE 104 1HB PHE 104 1.960 -6.329 -7.341 774 HD1 PHE 104 HD1 PHE 104 2.497 -4.762 -10.525 775 HD2 PHE 104 HD2 PHE 104 4.295 -5.446 -6.682 776 HE1 PHE 104 HE1 PHE 104 4.040 -2.855 -10.906 777 HE2 PHE 104 HE2 PHE 104 5.838 -3.542 -7.064 778 HZ PHE 104 HZ PHE 104 5.709 -2.245 -9.176 779 H THR 105 H THR 105 3.669 -8.473 -6.161 780 HA THR 105 HA THR 105 6.119 -7.074 -5.747 781 HB THR 105 HB THR 105 5.361 -9.708 -4.460 782 HG1 THR 105 HG1 THR 105 4.041 -8.589 -3.155 783 1HG2 THR 105 1HG2 THR 105 7.316 -9.280 -3.408 784 2HG2 THR 105 2HG2 THR 105 6.438 -7.998 -2.574 785 3HG2 THR 105 3HG2 THR 105 7.378 -7.627 -4.019 786 H GLU 106 H GLU 106 5.436 -10.235 -7.170 787 HA GLU 106 HA GLU 106 8.364 -10.664 -7.524 788 1HB GLU 106 2HB GLU 106 6.139 -12.628 -8.122 789 2HB GLU 106 1HB GLU 106 7.857 -12.972 -7.918 790 1HG GLU 106 2HG GLU 106 6.717 -11.581 -5.612 791 2HG GLU 106 1HG GLU 106 5.931 -13.129 -5.923 792 H GLY 107 H GLY 107 6.095 -9.056 -9.125 793 1HA GLY 107 2HA GLY 107 5.735 -8.515 -11.382 794 2HA GLY 107 1HA GLY 107 7.409 -9.017 -11.620 795 H ASN 108 H ASN 108 4.304 -10.657 -10.904 796 HA ASN 108 HA ASN 108 5.123 -12.976 -12.490 797 1HB ASN 108 2HB ASN 108 3.747 -13.295 -10.482 798 2HB ASN 108 1HB ASN 108 2.475 -12.288 -11.178 799 1HD2 ASN 108 1HD2 ASN 108 1.871 -14.958 -10.486 800 2HD2 ASN 108 2HD2 ASN 108 1.639 -15.865 -11.901 801 H LEU 109 H LEU 109 2.855 -10.259 -12.836 802 HA LEU 109 HA LEU 109 3.035 -10.086 -15.631 803 1HB LEU 109 2HB LEU 109 1.616 -12.420 -14.852 804 2HB LEU 109 1HB LEU 109 0.427 -11.289 -15.496 805 HG LEU 109 HG LEU 109 2.788 -11.229 -17.142 806 1HD1 LEU 109 1HD1 LEU 109 1.619 -13.946 -16.513 807 2HD1 LEU 109 2HD1 LEU 109 3.314 -13.462 -16.487 808 3HD1 LEU 109 3HD1 LEU 109 2.463 -13.612 -18.025 809 1HD2 LEU 109 1HD2 LEU 109 1.155 -10.954 -18.677 810 2HD2 LEU 109 2HD2 LEU 109 -0.014 -11.119 -17.366 811 3HD2 LEU 109 3HD2 LEU 109 0.468 -12.535 -18.302 812 H GLU 110 H GLU 110 0.256 -9.595 -16.247 813 HA GLU 110 HA GLU 110 -1.314 -7.864 -16.045 814 1HB GLU 110 2HB GLU 110 -0.584 -7.682 -13.125 815 2HB GLU 110 1HB GLU 110 -2.155 -7.425 -13.886 816 1HG GLU 110 2HG GLU 110 -2.368 -9.791 -14.379 817 2HG GLU 110 1HG GLU 110 -0.728 -10.099 -13.808 818 H GLU 111 H GLU 111 1.563 -7.299 -16.546 819 HA GLU 111 HA GLU 111 1.960 -4.697 -15.194 820 1HB GLU 111 2HB GLU 111 3.826 -6.422 -15.633 821 2HB GLU 111 1HB GLU 111 3.744 -5.897 -17.315 822 1HG GLU 111 2HG GLU 111 3.783 -3.548 -15.720 823 2HG GLU 111 1HG GLU 111 5.051 -4.608 -15.104 824 H ILE 112 H ILE 112 1.948 -2.725 -16.296 825 HA ILE 112 HA ILE 112 1.479 -2.644 -19.194 826 HB ILE 112 HB ILE 112 -0.650 -1.937 -17.169 827 1HG1 ILE 112 2HG1 ILE 112 -0.714 -4.180 -18.194 828 2HG1 ILE 112 1HG1 ILE 112 -2.068 -3.201 -18.759 829 1HG2 ILE 112 1HG2 ILE 112 -0.106 -0.726 -19.859 830 2HG2 ILE 112 2HG2 ILE 112 -0.718 0.041 -18.393 831 3HG2 ILE 112 3HG2 ILE 112 -1.779 -0.982 -19.363 832 1HD1 ILE 112 1HD1 ILE 112 0.138 -2.704 -20.498 833 2HD1 ILE 112 2HD1 ILE 112 -1.392 -3.493 -20.882 834 3HD1 ILE 112 3HD1 ILE 112 -0.023 -4.453 -20.321 835 H ARG 113 H ARG 113 2.591 -0.895 -19.922 836 HA ARG 113 HA ARG 113 2.870 1.450 -18.090 837 1HB ARG 113 2HB ARG 113 5.185 1.674 -19.318 838 2HB ARG 113 1HB ARG 113 5.026 0.562 -17.959 839 1HG ARG 113 2HG ARG 113 4.572 -1.288 -19.562 840 2HG ARG 113 1HG ARG 113 4.835 -0.165 -20.897 841 1HD ARG 113 2HD ARG 113 7.011 -0.055 -18.965 842 2HD ARG 113 1HD ARG 113 6.796 -1.683 -19.606 843 HE ARG 113 HE ARG 113 6.885 0.527 -21.574 844 1HH1 ARG 113 2HH1 ARG 113 9.282 -0.720 -19.736 845 2HH1 ARG 113 1HH1 ARG 113 10.137 -1.528 -21.007 846 1HH2 ARG 113 1HH2 ARG 113 7.598 -1.119 -23.334 847 2HH2 ARG 113 2HH2 ARG 113 9.184 -1.754 -23.044 848 H SER 114 H SER 114 1.412 0.506 -20.773 849 HA SER 114 HA SER 114 0.827 1.518 -22.820 850 1HB SER 114 2HB SER 114 1.137 3.925 -21.004 851 2HB SER 114 1HB SER 114 0.339 3.957 -22.573 852 HG SER 114 HG SER 114 -1.221 3.614 -21.029 853 HA PRO 115 HA PRO 115 5.208 2.748 -23.741 854 1HB PRO 115 2HB PRO 115 5.792 0.562 -25.301 855 2HB PRO 115 1HB PRO 115 6.071 0.619 -23.553 856 1HG PRO 115 2HG PRO 115 3.942 -0.819 -25.065 857 2HG PRO 115 1HG PRO 115 4.640 -1.192 -23.481 858 1HD PRO 115 2HD PRO 115 2.142 0.065 -23.945 859 2HD PRO 115 1HD PRO 115 2.991 -0.035 -22.388 860 H GLY 116 H GLY 116 2.919 1.063 -25.926 861 1HA GLY 116 2HA GLY 116 2.655 3.336 -27.672 862 2HA GLY 116 1HA GLY 116 3.771 2.162 -28.370 863 H SER 117 H SER 117 0.599 3.052 -28.377 864 HA SER 117 HA SER 117 -0.417 0.270 -28.698 865 1HB SER 117 2HB SER 117 -2.077 2.792 -28.755 866 2HB SER 117 1HB SER 117 -2.604 1.147 -28.407 867 HG SER 117 HG SER 117 -2.198 1.594 -26.404 868 H GLY 118 H GLY 118 1.255 1.970 -30.651 869 1HA GLY 118 2HA GLY 118 -0.585 2.404 -32.891 870 2HA GLY 118 1HA GLY 118 1.167 2.603 -32.937 871 H ARG 119 H ARG 119 -1.301 0.718 -34.097 872 HA ARG 119 HA ARG 119 -0.394 -1.942 -33.925 873 1HB ARG 119 2HB ARG 119 -2.456 -0.744 -35.202 874 2HB ARG 119 1HB ARG 119 -1.398 -1.055 -36.579 875 1HG ARG 119 2HG ARG 119 -1.622 -3.316 -34.702 876 2HG ARG 119 1HG ARG 119 -3.134 -2.893 -35.508 877 1HD ARG 119 2HD ARG 119 -1.573 -2.789 -37.651 878 2HD ARG 119 1HD ARG 119 -0.563 -3.870 -36.691 879 HE ARG 119 HE ARG 119 -2.401 -5.483 -36.677 880 1HH1 ARG 119 1HH2 ARG 119 -2.020 -3.848 -39.474 881 2HH1 ARG 119 2HH2 ARG 119 -3.650 -3.992 -40.041 882 1HH2 ARG 119 2HH1 ARG 119 -4.879 -5.164 -37.018 883 2HH2 ARG 119 1HH1 ARG 119 -5.268 -4.738 -38.651 884 H GLY 120 H GLY 120 0.987 0.753 -35.602 885 1HA GLY 120 2HA GLY 120 3.492 0.055 -36.063 886 2HA GLY 120 1HA GLY 120 2.726 -1.034 -37.220 887 H ARG 121 H ARG 121 3.913 0.167 -38.896 888 HA ARG 121 HA ARG 121 2.526 2.724 -39.592 889 1HB ARG 121 2HB ARG 121 5.436 2.014 -40.079 890 2HB ARG 121 1HB ARG 121 4.643 3.499 -40.606 891 1HG ARG 121 2HG ARG 121 4.348 2.849 -37.730 892 2HG ARG 121 1HG ARG 121 5.978 3.276 -38.251 893 1HD ARG 121 2HD ARG 121 5.420 5.449 -38.436 894 2HD ARG 121 1HD ARG 121 4.032 5.055 -39.451 895 HE ARG 121 HE ARG 121 2.671 5.323 -37.551 896 1HH1 ARG 121 2HH1 ARG 121 5.854 5.902 -36.663 897 2HH1 ARG 121 1HH1 ARG 121 5.631 5.573 -34.977 898 1HH2 ARG 121 1HH2 ARG 121 2.403 4.368 -35.368 899 2HH2 ARG 121 2HH2 ARG 121 3.677 4.704 -34.245 900 H ARG 122 H ARG 122 2.952 3.163 -42.078 901 HA ARG 122 HA ARG 122 2.256 0.626 -43.476 902 1HB ARG 122 2HB ARG 122 1.728 3.539 -44.043 903 2HB ARG 122 1HB ARG 122 1.600 2.335 -45.327 904 1HG ARG 122 2HG ARG 122 -0.591 2.492 -44.418 905 2HG ARG 122 1HG ARG 122 0.086 1.022 -43.718 906 1HD ARG 122 2HD ARG 122 -0.276 1.862 -41.664 907 2HD ARG 122 1HD ARG 122 0.851 3.169 -42.025 908 HE ARG 122 HE ARG 122 -1.907 3.526 -43.016 909 1HH1 ARG 122 1HH2 ARG 122 0.102 5.741 -42.562 910 2HH1 ARG 122 2HH2 ARG 122 -0.490 6.454 -41.100 911 1HH2 ARG 122 2HH1 ARG 122 -2.514 3.755 -40.292 912 2HH2 ARG 122 1HH1 ARG 122 -1.972 5.330 -39.815 913 H ARG 123 H ARG 123 4.707 3.065 -43.245 914 HA ARG 123 HA ARG 123 5.903 2.570 -45.847 915 1HB ARG 123 2HB ARG 123 6.208 4.648 -44.358 916 2HB ARG 123 1HB ARG 123 7.342 3.669 -43.427 917 1HG ARG 123 2HG ARG 123 8.275 3.157 -45.900 918 2HG ARG 123 1HG ARG 123 7.603 4.763 -46.183 919 1HD ARG 123 2HD ARG 123 8.852 5.435 -44.009 920 2HD ARG 123 1HD ARG 123 9.769 3.948 -44.254 921 HE ARG 123 HE ARG 123 9.880 5.253 -46.712 922 1HH1 ARG 123 2HH1 ARG 123 11.848 4.879 -44.161 923 2HH1 ARG 123 1HH1 ARG 123 12.610 6.433 -44.225 924 1HH2 ARG 123 1HH2 ARG 123 10.342 7.746 -46.496 925 2HH2 ARG 123 2HH2 ARG 123 11.758 8.055 -45.549 926 H ARG 124 HN ARG 124 5.978 0.204 -45.787 927 HA ARG 124 HA ARG 124 7.349 -1.325 -43.832 928 1HB ARG 124 2HB ARG 124 5.973 -2.361 -45.584 929 2HB ARG 124 1HB ARG 124 7.115 -1.820 -46.816 930 1HG ARG 124 2HG ARG 124 8.826 -3.260 -46.021 931 2HG ARG 124 1HG ARG 124 7.985 -3.549 -44.498 932 1HD ARG 124 2HD ARG 124 6.849 -5.277 -45.387 933 2HD ARG 124 1HD ARG 124 6.293 -4.277 -46.730 934 HE ARG 124 HE ARG 124 8.032 -5.179 -48.056 935 1HH1 ARG 124 1HH1 ARG 124 8.750 -5.495 -44.707 936 2HH1 ARG 124 2HH1 ARG 124 9.964 -6.708 -44.942 937 1HH2 ARG 124 1HH2 ARG 124 9.495 -6.892 -48.373 938 2HH2 ARG 124 2HH2 ARG 124 10.386 -7.498 -47.017 Start of MODEL 11 1 1H MET 1 1H MET 1 8.428 1.103 -2.838 2 2H MET 1 2H MET 1 9.186 1.305 -4.344 3 3H MET 1 3H MET 1 9.523 -0.064 -3.397 4 HA MET 1 HA MET 1 7.619 0.164 -5.383 5 1HB MET 1 2HB MET 1 8.972 -1.827 -4.299 6 2HB MET 1 1HB MET 1 7.532 -1.989 -3.293 7 1HG MET 1 2HG MET 1 6.200 -1.925 -5.497 8 2HG MET 1 1HG MET 1 7.746 -2.210 -6.297 9 1HE MET 1 1HE MET 1 8.972 -5.437 -4.434 10 2HE MET 1 2HE MET 1 9.077 -3.821 -3.739 11 3HE MET 1 3HE MET 1 9.414 -4.059 -5.453 12 H LYS 2 H LYS 2 5.443 0.550 -5.391 13 HA LYS 2 HA LYS 2 3.959 0.462 -2.822 14 1HB LYS 2 2HB LYS 2 4.468 2.883 -4.497 15 2HB LYS 2 1HB LYS 2 2.867 2.706 -3.777 16 1HG LYS 2 2HG LYS 2 3.666 3.330 -1.770 17 2HG LYS 2 1HG LYS 2 4.858 2.029 -1.816 18 1HD LYS 2 2HD LYS 2 5.624 4.152 -3.627 19 2HD LYS 2 1HD LYS 2 5.365 4.794 -2.005 20 1HE LYS 2 2HE LYS 2 7.135 3.651 -1.126 21 2HE LYS 2 1HE LYS 2 6.848 2.232 -2.135 22 1HZ LYS 2 1HZ LYS 2 7.702 4.636 -3.524 23 2HZ LYS 2 2HZ LYS 2 8.155 3.018 -3.770 24 3HZ LYS 2 3HZ LYS 2 8.863 3.919 -2.517 25 H ILE 3 H ILE 3 2.474 -1.074 -3.376 26 HA ILE 3 HA ILE 3 1.147 -0.837 -6.039 27 HB ILE 3 HB ILE 3 1.449 -3.167 -4.127 28 1HG1 ILE 3 2HG1 ILE 3 2.162 -3.738 -6.827 29 2HG1 ILE 3 1HG1 ILE 3 2.918 -2.203 -6.397 30 1HG2 ILE 3 1HG2 ILE 3 -0.609 -2.612 -6.111 31 2HG2 ILE 3 2HG2 ILE 3 -0.510 -3.931 -4.945 32 3HG2 ILE 3 3HG2 ILE 3 0.295 -4.073 -6.508 33 1HD1 ILE 3 1HD1 ILE 3 4.483 -3.845 -5.704 34 2HD1 ILE 3 2HD1 ILE 3 3.221 -4.882 -5.038 35 3HD1 ILE 3 3HD1 ILE 3 3.649 -3.377 -4.222 36 H ALA 4 H ALA 4 -0.773 0.214 -5.911 37 HA ALA 4 HA ALA 4 -2.401 -0.148 -3.426 38 1HB ALA 4 1HB ALA 4 -2.421 2.130 -5.432 39 2HB ALA 4 2HB ALA 4 -1.722 2.187 -3.814 40 3HB ALA 4 3HB ALA 4 -3.465 2.011 -4.016 41 H ILE 5 H ILE 5 -4.190 -1.383 -3.717 42 HA ILE 5 HA ILE 5 -5.147 -1.857 -6.488 43 HB ILE 5 HB ILE 5 -5.981 -3.220 -3.911 44 1HG1 ILE 5 2HG1 ILE 5 -4.459 -4.970 -5.485 45 2HG1 ILE 5 1HG1 ILE 5 -3.573 -3.446 -5.533 46 1HG2 ILE 5 1HG2 ILE 5 -7.012 -4.849 -5.308 47 2HG2 ILE 5 2HG2 ILE 5 -6.211 -4.229 -6.752 48 3HG2 ILE 5 3HG2 ILE 5 -7.494 -3.293 -5.984 49 1HD1 ILE 5 1HD1 ILE 5 -3.866 -5.325 -3.337 50 2HD1 ILE 5 2HD1 ILE 5 -4.395 -3.710 -2.866 51 3HD1 ILE 5 3HD1 ILE 5 -2.764 -3.956 -3.492 52 H ALA 6 H ALA 6 -7.010 -0.926 -7.211 53 HA ALA 6 HA ALA 6 -8.433 0.979 -5.573 54 1HB ALA 6 1HB ALA 6 -9.438 1.589 -7.527 55 2HB ALA 6 2HB ALA 6 -9.826 -0.077 -7.957 56 3HB ALA 6 3HB ALA 6 -8.211 0.562 -8.267 57 H SER 7 H SER 7 -10.523 0.785 -4.651 58 HA SER 7 HA SER 7 -12.281 -0.339 -3.582 59 1HB SER 7 2HB SER 7 -13.122 -0.912 -5.746 60 2HB SER 7 1HB SER 7 -11.849 -2.102 -6.004 61 HG SER 7 HG SER 7 -13.140 -3.481 -5.103 62 H SER 8 H SER 8 -11.103 -3.426 -4.724 63 HA SER 8 HA SER 8 -10.110 -5.214 -3.576 64 1HB SER 8 2HB SER 8 -8.315 -3.427 -3.244 65 2HB SER 8 1HB SER 8 -9.032 -3.133 -1.663 66 HG SER 8 HG SER 8 -8.450 -5.765 -2.418 67 H GLY 9 H GLY 9 -12.788 -4.204 -2.834 68 1HA GLY 9 2HA GLY 9 -14.352 -4.360 -1.070 69 2HA GLY 9 1HA GLY 9 -13.515 -5.883 -0.769 70 H THR 10 H THR 10 -12.338 -6.067 1.096 71 HA THR 10 HA THR 10 -11.267 -3.703 2.452 72 HB THR 10 HB THR 10 -12.678 -4.832 4.554 73 HG1 THR 10 HG1 THR 10 -14.768 -5.037 3.813 74 1HG2 THR 10 1HG2 THR 10 -13.198 -2.434 2.792 75 2HG2 THR 10 2HG2 THR 10 -12.401 -2.477 4.364 76 3HG2 THR 10 3HG2 THR 10 -14.139 -2.751 4.250 77 H ASP 11 H ASP 11 -12.110 -7.158 2.808 78 HA ASP 11 HA ASP 11 -9.313 -7.636 3.701 79 1HB ASP 11 2HB ASP 11 -11.272 -7.495 5.567 80 2HB ASP 11 1HB ASP 11 -11.410 -9.195 5.116 81 H LEU 12 H LEU 12 -12.250 -9.671 3.516 82 HA LEU 12 HA LEU 12 -10.739 -11.446 1.649 83 1HB LEU 12 2HB LEU 12 -13.234 -12.139 3.217 84 2HB LEU 12 1HB LEU 12 -12.125 -13.250 2.413 85 HG LEU 12 HG LEU 12 -11.440 -11.475 4.774 86 1HD1 LEU 12 1HD1 LEU 12 -11.830 -13.260 6.137 87 2HD1 LEU 12 2HD1 LEU 12 -11.231 -14.419 4.951 88 3HD1 LEU 12 3HD1 LEU 12 -12.876 -13.797 4.824 89 1HD2 LEU 12 1HD2 LEU 12 -9.603 -11.966 3.068 90 2HD2 LEU 12 2HD2 LEU 12 -9.777 -13.665 3.505 91 3HD2 LEU 12 3HD2 LEU 12 -9.269 -12.490 4.718 92 H GLY 13 H GLY 13 -13.354 -9.249 1.826 93 1HA GLY 13 2HA GLY 13 -14.904 -10.452 -0.348 94 2HA GLY 13 1HA GLY 13 -15.199 -8.875 0.384 95 H SER 14 H SER 14 -11.950 -9.125 -0.380 96 HA SER 14 HA SER 14 -12.223 -7.215 -2.566 97 1HB SER 14 2HB SER 14 -9.772 -7.222 -2.578 98 2HB SER 14 1HB SER 14 -10.362 -7.100 -0.923 99 HG SER 14 HG SER 14 -9.382 -8.906 -0.526 100 H GLU 15 H GLU 15 -13.485 -8.730 -3.987 101 HA GLU 15 HA GLU 15 -12.104 -11.049 -5.096 102 1HB GLU 15 2HB GLU 15 -14.757 -10.019 -5.119 103 2HB GLU 15 1HB GLU 15 -14.227 -10.130 -6.798 104 1HG GLU 15 2HG GLU 15 -13.313 -12.492 -5.997 105 2HG GLU 15 1HG GLU 15 -14.569 -12.305 -4.772 106 H VAL 16 H VAL 16 -10.119 -9.840 -5.731 107 HA VAL 16 HA VAL 16 -8.820 -8.563 -7.235 108 HB VAL 16 HB VAL 16 -9.341 -10.694 -8.449 109 1HG1 VAL 16 1HG1 VAL 16 -11.031 -10.323 -10.385 110 2HG1 VAL 16 2HG1 VAL 16 -11.650 -9.000 -9.397 111 3HG1 VAL 16 3HG1 VAL 16 -11.676 -10.651 -8.777 112 1HG2 VAL 16 1HG2 VAL 16 -8.368 -9.944 -10.425 113 2HG2 VAL 16 2HG2 VAL 16 -8.017 -8.584 -9.357 114 3HG2 VAL 16 3HG2 VAL 16 -9.368 -8.493 -10.488 115 H SER 17 H SER 17 -10.878 -6.973 -6.131 116 HA SER 17 HA SER 17 -11.974 -4.937 -6.522 117 1HB SER 17 2HB SER 17 -11.082 -4.342 -9.179 118 2HB SER 17 1HB SER 17 -10.580 -3.595 -7.665 119 HG SER 17 HG SER 17 -8.908 -4.950 -7.537 120 H ARG 18 H ARG 18 -13.009 -3.849 -8.898 121 HA ARG 18 HA ARG 18 -14.403 -5.819 -10.480 122 1HB ARG 18 2HB ARG 18 -15.500 -5.817 -8.081 123 2HB ARG 18 1HB ARG 18 -16.262 -4.332 -8.651 124 1HG ARG 18 2HG ARG 18 -17.826 -5.809 -9.450 125 2HG ARG 18 1HG ARG 18 -16.698 -5.898 -10.804 126 1HD ARG 18 2HD ARG 18 -15.679 -7.707 -8.932 127 2HD ARG 18 1HD ARG 18 -17.424 -7.956 -8.878 128 HE ARG 18 HE ARG 18 -17.365 -8.556 -11.232 129 1HH1 ARG 18 2HH1 ARG 18 -14.574 -9.121 -9.496 130 2HH1 ARG 18 1HH1 ARG 18 -13.535 -9.312 -10.870 131 1HH2 ARG 18 1HH2 ARG 18 -15.919 -8.252 -13.153 132 2HH2 ARG 18 2HH2 ARG 18 -14.297 -8.823 -12.940 133 H PHE 19 H PHE 19 -14.301 -2.519 -9.206 134 HA PHE 19 HA PHE 19 -14.722 -1.516 -11.957 135 1HB PHE 19 2HB PHE 19 -16.511 -0.874 -9.604 136 2HB PHE 19 1HB PHE 19 -16.386 0.190 -11.006 137 HD1 PHE 19 HD1 PHE 19 -18.043 -2.645 -9.642 138 HD2 PHE 19 HD2 PHE 19 -16.675 -0.961 -13.352 139 HE1 PHE 19 HE1 PHE 19 -19.631 -4.092 -10.885 140 HE2 PHE 19 HE2 PHE 19 -18.263 -2.407 -14.594 141 HZ PHE 19 HZ PHE 19 -19.741 -3.972 -13.361 142 H PHE 20 H PHE 20 -13.595 0.395 -12.313 143 HA PHE 20 HA PHE 20 -12.171 1.522 -9.935 144 1HB PHE 20 2HB PHE 20 -10.714 0.371 -11.619 145 2HB PHE 20 1HB PHE 20 -11.251 1.543 -12.824 146 HD1 PHE 20 HD1 PHE 20 -10.534 2.094 -9.201 147 HD2 PHE 20 HD2 PHE 20 -9.316 2.838 -13.255 148 HE1 PHE 20 HE1 PHE 20 -8.833 3.708 -8.393 149 HE2 PHE 20 HE2 PHE 20 -7.614 4.453 -12.447 150 HZ PHE 20 HZ PHE 20 -7.373 4.888 -10.015 151 H GLY 21 H GLY 21 -14.778 2.413 -10.759 152 1HA GLY 21 2HA GLY 21 -14.274 4.967 -12.180 153 2HA GLY 21 1HA GLY 21 -15.861 4.320 -11.759 154 H ARG 22 H ARG 22 -15.881 3.936 -9.145 155 HA ARG 22 HA ARG 22 -14.726 6.341 -7.829 156 1HB ARG 22 2HB ARG 22 -17.624 5.551 -7.448 157 2HB ARG 22 1HB ARG 22 -16.823 7.032 -6.919 158 1HG ARG 22 2HG ARG 22 -16.320 7.214 -9.553 159 2HG ARG 22 1HG ARG 22 -17.813 6.277 -9.625 160 1HD ARG 22 2HD ARG 22 -18.732 8.043 -7.947 161 2HD ARG 22 1HD ARG 22 -17.372 9.029 -8.485 162 HE ARG 22 HE ARG 22 -18.688 8.072 -10.804 163 1HH1 ARG 22 2HH1 ARG 22 -18.187 10.939 -10.496 164 2HH1 ARG 22 1HH1 ARG 22 -19.768 11.599 -10.247 165 1HH2 ARG 22 1HH2 ARG 22 -21.205 8.548 -9.440 166 2HH2 ARG 22 2HH2 ARG 22 -21.477 10.246 -9.648 167 H ALA 23 H ALA 23 -13.870 3.662 -7.615 168 HA ALA 23 HA ALA 23 -14.977 2.093 -5.577 169 1HB ALA 23 1HB ALA 23 -13.011 1.474 -7.001 170 2HB ALA 23 2HB ALA 23 -12.761 1.142 -5.286 171 3HB ALA 23 3HB ALA 23 -12.017 2.558 -6.027 172 HA PRO 24 HA PRO 24 -14.354 5.090 -2.258 173 1HB PRO 24 2HB PRO 24 -16.252 3.966 -0.620 174 2HB PRO 24 1HB PRO 24 -16.639 5.099 -1.927 175 1HG PRO 24 2HG PRO 24 -17.057 2.151 -1.818 176 2HG PRO 24 1HG PRO 24 -17.919 3.372 -2.768 177 1HD PRO 24 2HD PRO 24 -15.899 1.615 -3.724 178 2HD PRO 24 1HD PRO 24 -16.578 3.013 -4.588 179 H TYR 25 H TYR 25 -12.568 2.820 -2.601 180 HA TYR 25 HA TYR 25 -11.856 2.362 0.184 181 1HB TYR 25 2HB TYR 25 -13.069 0.196 -1.504 182 2HB TYR 25 1HB TYR 25 -11.793 -0.224 -0.361 183 HD1 TYR 25 HD1 TYR 25 -15.120 -0.457 -0.572 184 HD2 TYR 25 HD2 TYR 25 -12.221 1.539 1.893 185 HE1 TYR 25 HE1 TYR 25 -16.760 -0.374 1.288 186 HE2 TYR 25 HE2 TYR 25 -13.860 1.622 3.754 187 HH TYR 25 HH TYR 25 -16.509 -0.225 3.955 188 H PHE 26 H PHE 26 -10.106 3.611 -0.942 189 HA PHE 26 HA PHE 26 -8.485 2.236 -2.937 190 1HB PHE 26 2HB PHE 26 -8.683 4.750 -2.705 191 2HB PHE 26 1HB PHE 26 -7.719 4.623 -1.234 192 HD1 PHE 26 HD1 PHE 26 -5.576 5.441 -1.679 193 HD2 PHE 26 HD2 PHE 26 -7.484 2.861 -4.537 194 HE1 PHE 26 HE1 PHE 26 -3.502 5.414 -3.040 195 HE2 PHE 26 HE2 PHE 26 -5.409 2.834 -5.898 196 HZ PHE 26 HZ PHE 26 -3.418 4.111 -5.150 197 H MET 27 H MET 27 -7.303 0.494 -2.341 198 HA MET 27 HA MET 27 -6.242 0.310 0.420 199 1HB MET 27 2HB MET 27 -7.422 -1.624 -0.771 200 2HB MET 27 1HB MET 27 -5.984 -1.746 -1.785 201 1HG MET 27 2HG MET 27 -4.778 -1.700 0.609 202 2HG MET 27 1HG MET 27 -6.324 -2.387 1.106 203 1HE MET 27 1HE MET 27 -7.232 -4.318 0.705 204 2HE MET 27 2HE MET 27 -5.880 -5.083 1.536 205 3HE MET 27 3HE MET 27 -6.497 -5.785 0.042 206 H ILE 28 H ILE 28 -4.267 1.211 0.736 207 HA ILE 28 HA ILE 28 -2.333 1.210 -1.538 208 HB ILE 28 HB ILE 28 -2.766 3.434 -0.710 209 1HG1 ILE 28 2HG1 ILE 28 -0.352 3.470 0.745 210 2HG1 ILE 28 1HG1 ILE 28 -0.186 2.147 -0.411 211 1HG2 ILE 28 1HG2 ILE 28 -1.966 3.650 1.877 212 2HG2 ILE 28 2HG2 ILE 28 -2.668 2.032 1.900 213 3HG2 ILE 28 3HG2 ILE 28 -3.647 3.410 1.398 214 1HD1 ILE 28 1HD1 ILE 28 -1.397 4.197 -1.876 215 2HD1 ILE 28 2HD1 ILE 28 0.296 3.710 -1.966 216 3HD1 ILE 28 3HD1 ILE 28 -0.189 5.020 -0.890 217 H VAL 29 H VAL 29 -0.669 -0.215 -1.402 218 HA VAL 29 HA VAL 29 0.106 -1.199 1.317 219 HB VAL 29 HB VAL 29 0.520 -2.837 -1.168 220 1HG1 VAL 29 1HG1 VAL 29 -0.349 -4.116 1.313 221 2HG1 VAL 29 2HG1 VAL 29 1.113 -3.153 1.531 222 3HG1 VAL 29 3HG1 VAL 29 1.076 -4.440 0.325 223 1HG2 VAL 29 1HG2 VAL 29 -1.760 -3.910 -0.281 224 2HG2 VAL 29 2HG2 VAL 29 -1.762 -2.607 -1.469 225 3HG2 VAL 29 3HG2 VAL 29 -2.056 -2.249 0.232 226 H GLU 30 H GLU 30 2.142 -0.575 1.830 227 HA GLU 30 HA GLU 30 4.072 -0.124 -0.412 228 1HB GLU 30 2HB GLU 30 3.500 1.953 0.792 229 2HB GLU 30 1HB GLU 30 3.981 1.203 2.315 230 1HG GLU 30 2HG GLU 30 6.121 0.821 0.481 231 2HG GLU 30 1HG GLU 30 5.642 2.516 0.378 232 H MET 31 H MET 31 5.059 -2.163 -0.406 233 HA MET 31 HA MET 31 5.969 -3.326 2.146 234 1HB MET 31 2HB MET 31 6.809 -5.170 0.704 235 2HB MET 31 1HB MET 31 5.103 -4.831 0.413 236 1HG MET 31 2HG MET 31 5.664 -3.506 -1.560 237 2HG MET 31 1HG MET 31 7.386 -3.725 -1.248 238 1HE MET 31 1HE MET 31 4.139 -6.327 -2.700 239 2HE MET 31 2HE MET 31 4.164 -5.332 -1.246 240 3HE MET 31 3HE MET 31 4.591 -7.038 -1.144 241 H LYS 32 H LYS 32 8.329 -4.055 2.250 242 HA LYS 32 HA LYS 32 10.025 -1.755 1.478 243 1HB LYS 32 2HB LYS 32 10.176 -3.940 3.498 244 2HB LYS 32 1HB LYS 32 11.706 -3.319 2.875 245 1HG LYS 32 2HG LYS 32 10.225 -1.016 3.330 246 2HG LYS 32 1HG LYS 32 9.790 -2.053 4.688 247 1HD LYS 32 2HD LYS 32 12.499 -2.451 4.548 248 2HD LYS 32 1HD LYS 32 12.366 -0.760 4.064 249 1HE LYS 32 2HE LYS 32 12.390 -0.432 6.335 250 2HE LYS 32 1HE LYS 32 10.664 -0.745 6.154 251 1HZ LYS 32 1HZ LYS 32 12.703 -2.359 7.390 252 2HZ LYS 32 2HZ LYS 32 11.694 -3.228 6.336 253 3HZ LYS 32 3HZ LYS 32 11.025 -2.359 7.634 254 H LYS 33 H LYS 33 11.386 -4.961 1.825 255 HA LYS 33 HA LYS 33 12.139 -4.849 -1.067 256 1HB LYS 33 2HB LYS 33 14.167 -6.019 -0.501 257 2HB LYS 33 1HB LYS 33 14.002 -4.684 0.639 258 1HG LYS 33 2HG LYS 33 13.894 -6.097 2.390 259 2HG LYS 33 1HG LYS 33 12.634 -7.055 1.615 260 1HD LYS 33 2HD LYS 33 14.109 -8.658 1.046 261 2HD LYS 33 1HD LYS 33 15.182 -7.473 0.299 262 1HE LYS 33 2HE LYS 33 16.036 -6.889 2.583 263 2HE LYS 33 1HE LYS 33 15.062 -8.204 3.239 264 1HZ LYS 33 1HZ LYS 33 17.452 -8.736 2.703 265 2HZ LYS 33 2HZ LYS 33 17.024 -8.622 1.064 266 3HZ LYS 33 3HZ LYS 33 16.293 -9.790 2.057 267 H GLY 34 H GLY 34 9.656 -5.989 -0.091 268 1HA GLY 34 2HA GLY 34 8.777 -8.001 -1.346 269 2HA GLY 34 1HA GLY 34 10.159 -8.879 -0.689 270 H ASN 35 H ASN 35 8.618 -6.549 1.357 271 HA ASN 35 HA ASN 35 7.012 -8.669 2.688 272 1HB ASN 35 2HB ASN 35 9.362 -8.414 3.722 273 2HB ASN 35 1HB ASN 35 8.806 -6.836 4.285 274 1HD2 ASN 35 1HD2 ASN 35 7.486 -6.796 6.146 275 2HD2 ASN 35 2HD2 ASN 35 6.882 -8.186 6.911 276 H ILE 36 H ILE 36 5.002 -7.760 2.570 277 HA ILE 36 HA ILE 36 4.491 -4.952 2.416 278 HB ILE 36 HB ILE 36 2.654 -7.194 3.314 279 1HG1 ILE 36 2HG1 ILE 36 2.246 -6.037 0.665 280 2HG1 ILE 36 1HG1 ILE 36 3.851 -6.751 0.830 281 1HG2 ILE 36 1HG2 ILE 36 2.251 -4.281 2.725 282 2HG2 ILE 36 2HG2 ILE 36 1.514 -5.279 3.977 283 3HG2 ILE 36 3HG2 ILE 36 0.972 -5.420 2.305 284 1HD1 ILE 36 1HD1 ILE 36 1.162 -8.067 1.066 285 2HD1 ILE 36 2HD1 ILE 36 2.536 -8.741 1.941 286 3HD1 ILE 36 3HD1 ILE 36 2.592 -8.605 0.184 287 H GLU 37 H GLU 37 4.920 -3.537 4.035 288 HA GLU 37 HA GLU 37 4.298 -4.403 6.832 289 1HB GLU 37 2HB GLU 37 6.794 -3.658 5.812 290 2HB GLU 37 1HB GLU 37 6.218 -2.219 6.655 291 1HG GLU 37 2HG GLU 37 6.299 -5.011 7.839 292 2HG GLU 37 1HG GLU 37 7.473 -3.736 8.171 293 H SER 38 H SER 38 2.632 -2.988 4.799 294 HA SER 38 HA SER 38 1.546 -0.957 6.520 295 1HB SER 38 2HB SER 38 3.013 0.695 5.958 296 2HB SER 38 1HB SER 38 3.564 -0.154 4.516 297 HG SER 38 HG SER 38 2.429 1.536 3.744 298 H SER 39 H SER 39 -0.434 -1.946 6.042 299 HA SER 39 HA SER 39 -1.377 -1.612 3.224 300 1HB SER 39 2HB SER 39 -2.506 -3.744 5.007 301 2HB SER 39 1HB SER 39 -2.424 -3.694 3.248 302 HG SER 39 HG SER 39 -0.577 -4.555 5.105 303 H GLU 40 H GLU 40 -2.636 0.214 3.449 304 HA GLU 40 HA GLU 40 -4.624 0.208 5.685 305 1HB GLU 40 2HB GLU 40 -3.209 2.451 4.250 306 2HB GLU 40 1HB GLU 40 -4.706 2.736 5.139 307 1HG GLU 40 2HG GLU 40 -2.451 1.246 6.455 308 2HG GLU 40 1HG GLU 40 -2.411 3.007 6.381 309 H VAL 41 H VAL 41 -6.786 0.546 5.186 310 HA VAL 41 HA VAL 41 -7.453 0.649 2.270 311 HB VAL 41 HB VAL 41 -9.299 -0.473 4.370 312 1HG1 VAL 41 1HG1 VAL 41 -9.028 -0.465 1.410 313 2HG1 VAL 41 2HG1 VAL 41 -10.483 -0.465 2.408 314 3HG1 VAL 41 3HG1 VAL 41 -9.599 -1.968 2.136 315 1HG2 VAL 41 1HG2 VAL 41 -7.018 -1.563 4.548 316 2HG2 VAL 41 2HG2 VAL 41 -7.209 -2.078 2.872 317 3HG2 VAL 41 3HG2 VAL 41 -8.324 -2.664 4.106 318 H ILE 42 H ILE 42 -7.761 2.899 2.117 319 HA ILE 42 HA ILE 42 -9.916 4.003 3.878 320 HB ILE 42 HB ILE 42 -7.683 5.587 2.582 321 1HG1 ILE 42 2HG1 ILE 42 -7.819 4.987 5.522 322 2HG1 ILE 42 1HG1 ILE 42 -7.115 3.788 4.437 323 1HG2 ILE 42 1HG2 ILE 42 -9.990 6.584 3.358 324 2HG2 ILE 42 2HG2 ILE 42 -8.495 7.410 3.796 325 3HG2 ILE 42 3HG2 ILE 42 -9.315 6.387 4.975 326 1HD1 ILE 42 1HD1 ILE 42 -6.265 6.691 4.424 327 2HD1 ILE 42 2HD1 ILE 42 -5.447 5.322 3.672 328 3HD1 ILE 42 3HD1 ILE 42 -5.477 5.474 5.429 329 H GLU 43 H GLU 43 -11.707 4.640 2.799 330 HA GLU 43 HA GLU 43 -12.110 4.294 0.035 331 1HB GLU 43 2HB GLU 43 -14.067 5.870 0.354 332 2HB GLU 43 1HB GLU 43 -14.009 4.534 1.505 333 1HG GLU 43 2HG GLU 43 -13.863 5.965 3.233 334 2HG GLU 43 1HG GLU 43 -12.458 6.749 2.510 335 H ASN 44 H ASN 44 -12.090 5.766 -1.736 336 HA ASN 44 HA ASN 44 -9.991 7.715 -1.721 337 1HB ASN 44 2HB ASN 44 -12.204 7.018 -3.638 338 2HB ASN 44 1HB ASN 44 -11.208 8.446 -3.922 339 1HD2 ASN 44 1HD2 ASN 44 -8.762 8.029 -3.951 340 2HD2 ASN 44 2HD2 ASN 44 -8.221 6.536 -4.550 341 HA PRO 45 HA PRO 45 -12.130 11.194 -0.094 342 1HB PRO 45 2HB PRO 45 -10.453 13.146 -1.059 343 2HB PRO 45 1HB PRO 45 -10.047 12.094 0.309 344 1HG PRO 45 2HG PRO 45 -9.025 12.008 -2.492 345 2HG PRO 45 1HG PRO 45 -8.250 11.456 -0.998 346 1HD PRO 45 2HD PRO 45 -9.522 9.804 -2.913 347 2HD PRO 45 1HD PRO 45 -9.042 9.322 -1.272 348 H SER 46 H SER 46 -13.437 13.008 -0.785 349 HA SER 46 HA SER 46 -14.885 14.118 -2.258 350 1HB SER 46 2HB SER 46 -13.890 15.069 -4.159 351 2HB SER 46 1HB SER 46 -12.506 14.769 -3.113 352 HG SER 46 HG SER 46 -11.815 13.693 -4.789 353 H ALA 47 H ALA 47 -14.628 11.015 -2.206 354 HA ALA 47 HA ALA 47 -15.193 9.884 -4.701 355 1HB ALA 47 1HB ALA 47 -15.009 8.448 -2.780 356 2HB ALA 47 2HB ALA 47 -16.650 8.256 -3.400 357 3HB ALA 47 3HB ALA 47 -16.356 9.254 -1.976 358 H SER 48 H SER 48 -17.789 10.731 -2.386 359 HA SER 48 HA SER 48 -19.585 11.204 -4.702 360 1HB SER 48 2HB SER 48 -20.015 9.928 -2.310 361 2HB SER 48 1HB SER 48 -20.667 11.530 -1.976 362 HG SER 48 HG SER 48 -21.287 10.343 -4.424 363 H ALA 49 H ALA 49 -19.636 13.275 -5.440 364 HA ALA 49 HA ALA 49 -19.725 15.469 -3.427 365 1HB ALA 49 1HB ALA 49 -18.187 15.971 -5.932 366 2HB ALA 49 2HB ALA 49 -17.405 14.994 -4.688 367 3HB ALA 49 3HB ALA 49 -17.946 16.630 -4.314 368 H SER 50 H SER 50 -19.997 17.625 -5.023 369 HA SER 50 HA SER 50 -22.559 17.069 -6.398 370 1HB SER 50 2HB SER 50 -21.251 19.758 -5.934 371 2HB SER 50 1HB SER 50 -22.946 19.433 -6.290 372 HG SER 50 HG SER 50 -21.572 19.314 -3.920 373 H GLY 51 H GLY 51 -19.803 16.419 -7.517 374 1HA GLY 51 2HA GLY 51 -20.257 16.842 -10.231 375 2HA GLY 51 1HA GLY 51 -19.352 18.263 -9.706 376 H GLY 52 H GLY 52 -19.229 14.700 -9.688 377 1HA GLY 52 2HA GLY 52 -16.249 14.940 -9.805 378 2HA GLY 52 1HA GLY 52 -17.041 13.682 -8.855 379 H ALA 53 H ALA 53 -15.237 12.985 -10.871 380 HA ALA 53 HA ALA 53 -17.071 11.870 -12.957 381 1HB ALA 53 1HB ALA 53 -14.902 11.761 -14.356 382 2HB ALA 53 2HB ALA 53 -14.230 12.874 -13.165 383 3HB ALA 53 3HB ALA 53 -15.632 13.349 -14.124 384 H GLY 54 H GLY 54 -13.854 11.265 -11.487 385 1HA GLY 54 2HA GLY 54 -13.775 9.093 -10.136 386 2HA GLY 54 1HA GLY 54 -14.531 8.352 -11.549 387 H ILE 55 H ILE 55 -13.131 9.472 -13.633 388 HA ILE 55 HA ILE 55 -10.609 8.031 -13.470 389 HB ILE 55 HB ILE 55 -11.760 9.841 -15.613 390 1HG1 ILE 55 2HG1 ILE 55 -12.948 7.660 -15.052 391 2HG1 ILE 55 1HG1 ILE 55 -12.390 7.804 -16.719 392 1HG2 ILE 55 1HG2 ILE 55 -9.497 9.873 -16.133 393 2HG2 ILE 55 2HG2 ILE 55 -9.997 8.401 -16.964 394 3HG2 ILE 55 3HG2 ILE 55 -9.199 8.300 -15.394 395 1HD1 ILE 55 1HD1 ILE 55 -10.299 6.703 -15.042 396 2HD1 ILE 55 2HD1 ILE 55 -11.039 6.016 -16.489 397 3HD1 ILE 55 3HD1 ILE 55 -11.772 5.742 -14.909 398 H ARG 56 H ARG 56 -11.621 11.282 -12.886 399 HA ARG 56 HA ARG 56 -9.094 12.581 -13.401 400 1HB ARG 56 2HB ARG 56 -11.505 13.584 -13.020 401 2HB ARG 56 1HB ARG 56 -11.015 13.587 -11.326 402 1HG ARG 56 2HG ARG 56 -10.370 15.719 -12.171 403 2HG ARG 56 1HG ARG 56 -8.882 14.775 -12.101 404 1HD ARG 56 2HD ARG 56 -8.979 15.916 -14.246 405 2HD ARG 56 1HD ARG 56 -9.197 14.187 -14.513 406 HE ARG 56 HE ARG 56 -11.728 15.589 -14.191 407 1HH1 ARG 56 1HH2 ARG 56 -10.828 13.258 -16.061 408 2HH1 ARG 56 2HH2 ARG 56 -11.076 14.004 -17.604 409 1HH2 ARG 56 2HH1 ARG 56 -11.340 17.209 -16.310 410 2HH2 ARG 56 1HH1 ARG 56 -11.364 16.241 -17.746 411 H THR 57 H THR 57 -10.371 10.722 -10.736 412 HA THR 57 HA THR 57 -8.730 11.643 -8.622 413 HB THR 57 HB THR 57 -10.578 9.976 -8.378 414 HG1 THR 57 HG1 THR 57 -9.620 9.309 -6.637 415 1HG2 THR 57 1HG2 THR 57 -9.539 8.681 -10.455 416 2HG2 THR 57 2HG2 THR 57 -10.443 7.822 -9.207 417 3HG2 THR 57 3HG2 THR 57 -8.679 7.812 -9.183 418 H ALA 58 H ALA 58 -7.940 9.722 -11.430 419 HA ALA 58 HA ALA 58 -5.644 8.352 -10.691 420 1HB ALA 58 1HB ALA 58 -5.505 8.072 -12.921 421 2HB ALA 58 2HB ALA 58 -5.062 9.766 -13.130 422 3HB ALA 58 3HB ALA 58 -6.761 9.293 -13.128 423 H GLN 59 H GLN 59 -5.927 11.834 -11.372 424 HA GLN 59 HA GLN 59 -3.224 12.571 -11.230 425 1HB GLN 59 2HB GLN 59 -5.249 14.069 -11.683 426 2HB GLN 59 1HB GLN 59 -5.446 14.164 -9.933 427 1HG GLN 59 2HG GLN 59 -2.702 14.638 -10.457 428 2HG GLN 59 1HG GLN 59 -3.610 15.614 -11.611 429 1HE2 GLN 59 1HE2 GLN 59 -5.382 17.029 -10.633 430 2HE2 GLN 59 2HE2 GLN 59 -5.146 17.638 -9.066 431 H ILE 60 H ILE 60 -5.532 12.498 -8.480 432 HA ILE 60 HA ILE 60 -3.653 13.035 -6.443 433 HB ILE 60 HB ILE 60 -6.172 11.355 -6.418 434 1HG1 ILE 60 2HG1 ILE 60 -5.721 14.019 -5.085 435 2HG1 ILE 60 1HG1 ILE 60 -6.100 13.944 -6.806 436 1HG2 ILE 60 1HG2 ILE 60 -4.075 11.457 -4.472 437 2HG2 ILE 60 2HG2 ILE 60 -5.630 10.636 -4.356 438 3HG2 ILE 60 3HG2 ILE 60 -5.475 12.309 -3.819 439 1HD1 ILE 60 1HD1 ILE 60 -8.224 14.120 -5.817 440 2HD1 ILE 60 2HD1 ILE 60 -7.785 13.071 -4.468 441 3HD1 ILE 60 3HD1 ILE 60 -8.052 12.383 -6.070 442 H ILE 61 H ILE 61 -4.395 10.019 -8.119 443 HA ILE 61 HA ILE 61 -3.030 8.225 -6.384 444 HB ILE 61 HB ILE 61 -3.303 8.104 -9.404 445 1HG1 ILE 61 2HG1 ILE 61 -5.432 8.313 -8.018 446 2HG1 ILE 61 1HG1 ILE 61 -5.320 6.860 -9.012 447 1HG2 ILE 61 1HG2 ILE 61 -1.902 6.337 -9.137 448 2HG2 ILE 61 2HG2 ILE 61 -3.301 5.530 -8.427 449 3HG2 ILE 61 3HG2 ILE 61 -2.116 6.319 -7.386 450 1HD1 ILE 61 1HD1 ILE 61 -5.497 5.569 -7.181 451 2HD1 ILE 61 2HD1 ILE 61 -5.673 7.019 -6.193 452 3HD1 ILE 61 3HD1 ILE 61 -4.072 6.337 -6.482 453 H ALA 62 H ALA 62 -1.810 9.880 -9.322 454 HA ALA 62 HA ALA 62 0.889 8.972 -9.015 455 1HB ALA 62 1HB ALA 62 1.457 10.754 -10.611 456 2HB ALA 62 2HB ALA 62 -0.122 11.498 -10.357 457 3HB ALA 62 3HB ALA 62 -0.006 9.915 -11.127 458 H ASN 63 H ASN 63 -0.921 11.460 -7.418 459 HA ASN 63 HA ASN 63 1.385 13.018 -6.561 460 1HB ASN 63 2HB ASN 63 -1.535 13.041 -6.115 461 2HB ASN 63 1HB ASN 63 -0.578 13.606 -4.745 462 1HD2 ASN 63 1HD2 ASN 63 0.014 13.945 -8.285 463 2HD2 ASN 63 2HD2 ASN 63 0.098 15.640 -8.257 464 H ASN 64 H ASN 64 -0.223 10.143 -5.445 465 HA ASN 64 HA ASN 64 0.912 10.312 -2.741 466 1HB ASN 64 2HB ASN 64 -1.266 9.019 -3.750 467 2HB ASN 64 1HB ASN 64 -0.090 7.705 -3.727 468 1HD2 ASN 64 1HD2 ASN 64 1.304 7.824 -1.495 469 2HD2 ASN 64 2HD2 ASN 64 0.349 7.974 -0.100 470 H GLY 65 H GLY 65 1.925 9.200 -5.830 471 1HA GLY 65 2HA GLY 65 4.234 8.585 -6.242 472 2HA GLY 65 1HA GLY 65 4.352 8.029 -4.572 473 H VAL 66 H VAL 66 1.438 6.927 -5.582 474 HA VAL 66 HA VAL 66 1.941 4.213 -5.504 475 HB VAL 66 HB VAL 66 0.047 5.353 -7.560 476 1HG1 VAL 66 1HG1 VAL 66 0.229 2.876 -5.856 477 2HG1 VAL 66 2HG1 VAL 66 -0.030 3.005 -7.595 478 3HG1 VAL 66 3HG1 VAL 66 -1.330 3.417 -6.478 479 1HG2 VAL 66 1HG2 VAL 66 -0.465 6.716 -5.707 480 2HG2 VAL 66 2HG2 VAL 66 -0.089 5.440 -4.549 481 3HG2 VAL 66 3HG2 VAL 66 -1.565 5.351 -5.511 482 H LYS 67 H LYS 67 3.825 3.501 -6.466 483 HA LYS 67 HA LYS 67 4.435 4.139 -9.253 484 1HB LYS 67 2HB LYS 67 6.182 3.685 -7.477 485 2HB LYS 67 1HB LYS 67 5.672 1.996 -7.498 486 1HG LYS 67 2HG LYS 67 6.738 1.583 -9.453 487 2HG LYS 67 1HG LYS 67 6.181 3.093 -10.173 488 1HD LYS 67 2HD LYS 67 8.070 3.639 -8.053 489 2HD LYS 67 1HD LYS 67 8.774 2.525 -9.226 490 1HE LYS 67 2HE LYS 67 9.117 4.965 -9.780 491 2HE LYS 67 1HE LYS 67 8.315 4.040 -11.048 492 1HZ LYS 67 1HZ LYS 67 6.383 5.018 -9.255 493 2HZ LYS 67 2HZ LYS 67 6.576 5.379 -10.905 494 3HZ LYS 67 3HZ LYS 67 7.378 6.307 -9.730 495 H ALA 68 H ALA 68 2.370 1.985 -7.658 496 HA ALA 68 HA ALA 68 2.122 0.375 -10.163 497 1HB ALA 68 1HB ALA 68 1.518 -1.559 -8.491 498 2HB ALA 68 2HB ALA 68 2.467 -0.614 -7.345 499 3HB ALA 68 3HB ALA 68 3.212 -1.207 -8.829 500 H VAL 69 H VAL 69 0.077 0.683 -10.899 501 HA VAL 69 HA VAL 69 -2.064 1.213 -8.878 502 HB VAL 69 HB VAL 69 -1.818 2.028 -11.785 503 1HG1 VAL 69 1HG1 VAL 69 -4.128 1.430 -11.414 504 2HG1 VAL 69 2HG1 VAL 69 -4.022 3.189 -11.345 505 3HG1 VAL 69 3HG1 VAL 69 -4.145 2.254 -9.856 506 1HG2 VAL 69 1HG2 VAL 69 -1.377 3.305 -9.167 507 2HG2 VAL 69 2HG2 VAL 69 -2.394 4.247 -10.258 508 3HG2 VAL 69 3HG2 VAL 69 -0.772 3.766 -10.759 509 H ILE 70 H ILE 70 -3.432 -0.476 -8.587 510 HA ILE 70 HA ILE 70 -3.656 -2.498 -10.765 511 HB ILE 70 HB ILE 70 -4.807 -2.875 -8.018 512 1HG1 ILE 70 2HG1 ILE 70 -2.480 -1.967 -7.752 513 2HG1 ILE 70 1HG1 ILE 70 -2.646 -3.628 -7.181 514 1HG2 ILE 70 1HG2 ILE 70 -3.525 -5.171 -8.812 515 2HG2 ILE 70 2HG2 ILE 70 -4.032 -4.490 -10.358 516 3HG2 ILE 70 3HG2 ILE 70 -5.228 -4.825 -9.105 517 1HD1 ILE 70 1HD1 ILE 70 -1.272 -4.449 -8.793 518 2HD1 ILE 70 2HD1 ILE 70 -0.717 -2.781 -8.937 519 3HD1 ILE 70 3HD1 ILE 70 -1.951 -3.397 -10.036 520 H ALA 71 H ALA 71 -5.418 -2.265 -12.053 521 HA ALA 71 HA ALA 71 -8.063 -1.851 -10.872 522 1HB ALA 71 1HB ALA 71 -6.886 0.238 -12.732 523 2HB ALA 71 2HB ALA 71 -7.264 0.472 -11.026 524 3HB ALA 71 3HB ALA 71 -8.562 0.190 -12.185 525 H SER 72 H SER 72 -9.741 -1.742 -12.734 526 HA SER 72 HA SER 72 -8.757 -3.242 -15.122 527 1HB SER 72 2HB SER 72 -9.767 -4.843 -13.514 528 2HB SER 72 1HB SER 72 -11.252 -3.895 -13.519 529 HG SER 72 HG SER 72 -10.862 -5.822 -15.060 530 H SER 73 H SER 73 -9.264 -0.479 -15.034 531 HA SER 73 HA SER 73 -11.851 0.406 -15.650 532 1HB SER 73 2HB SER 73 -9.340 1.541 -15.671 533 2HB SER 73 1HB SER 73 -9.777 1.573 -17.377 534 HG SER 73 HG SER 73 -11.684 2.333 -15.474 535 HA PRO 74 HA PRO 74 -12.814 -1.381 -19.543 536 1HB PRO 74 2HB PRO 74 -14.555 0.535 -20.470 537 2HB PRO 74 1HB PRO 74 -14.966 -0.633 -19.202 538 1HG PRO 74 2HG PRO 74 -14.350 2.274 -18.949 539 2HG PRO 74 1HG PRO 74 -15.333 1.240 -17.899 540 1HD PRO 74 2HD PRO 74 -12.681 2.082 -17.381 541 2HD PRO 74 1HD PRO 74 -13.557 0.797 -16.521 542 H GLY 75 H GLY 75 -11.197 1.641 -19.305 543 1HA GLY 75 2HA GLY 75 -10.219 1.337 -22.082 544 2HA GLY 75 1HA GLY 75 -10.994 2.870 -21.683 545 HA PRO 76 HA PRO 76 -6.494 2.683 -20.172 546 1HB PRO 76 2HB PRO 76 -5.136 3.455 -22.434 547 2HB PRO 76 1HB PRO 76 -5.413 1.762 -21.989 548 1HG PRO 76 2HG PRO 76 -6.725 3.379 -24.120 549 2HG PRO 76 1HG PRO 76 -6.508 1.625 -24.016 550 1HD PRO 76 2HD PRO 76 -8.895 3.056 -23.446 551 2HD PRO 76 1HD PRO 76 -8.581 1.346 -23.082 552 H ASN 77 H ASN 77 -8.600 4.734 -20.173 553 HA ASN 77 HA ASN 77 -7.448 7.207 -21.196 554 1HB ASN 77 2HB ASN 77 -9.975 6.390 -20.297 555 2HB ASN 77 1HB ASN 77 -9.434 7.571 -19.104 556 1HD2 ASN 77 1HD2 ASN 77 -11.480 7.765 -21.409 557 2HD2 ASN 77 2HD2 ASN 77 -11.001 9.153 -22.262 558 H ALA 78 H ALA 78 -8.047 5.956 -17.889 559 HA ALA 78 HA ALA 78 -6.558 8.043 -16.598 560 1HB ALA 78 1HB ALA 78 -8.260 6.283 -15.628 561 2HB ALA 78 2HB ALA 78 -6.943 6.874 -14.616 562 3HB ALA 78 3HB ALA 78 -6.813 5.300 -15.400 563 H PHE 79 H PHE 79 -5.661 4.813 -17.768 564 HA PHE 79 HA PHE 79 -3.079 4.635 -16.638 565 1HB PHE 79 2HB PHE 79 -3.756 3.738 -19.448 566 2HB PHE 79 1HB PHE 79 -2.583 3.028 -18.340 567 HD1 PHE 79 HD1 PHE 79 -4.775 3.630 -15.976 568 HD2 PHE 79 HD2 PHE 79 -4.682 1.371 -19.633 569 HE1 PHE 79 HE1 PHE 79 -6.530 2.117 -15.088 570 HE2 PHE 79 HE2 PHE 79 -6.437 -0.139 -18.744 571 HZ PHE 79 HZ PHE 79 -7.362 0.233 -16.471 572 H GLU 80 H GLU 80 -4.215 6.452 -19.445 573 HA GLU 80 HA GLU 80 -1.762 7.108 -20.651 574 1HB GLU 80 2HB GLU 80 -4.432 8.403 -20.460 575 2HB GLU 80 1HB GLU 80 -3.091 9.440 -20.953 576 1HG GLU 80 2HG GLU 80 -2.496 7.803 -22.720 577 2HG GLU 80 1HG GLU 80 -3.879 6.814 -22.251 578 H VAL 81 H VAL 81 -3.464 9.002 -18.123 579 HA VAL 81 HA VAL 81 -1.344 10.856 -17.694 580 HB VAL 81 HB VAL 81 -3.160 9.948 -15.470 581 1HG1 VAL 81 1HG1 VAL 81 -1.360 12.091 -15.904 582 2HG1 VAL 81 2HG1 VAL 81 -2.459 11.874 -14.542 583 3HG1 VAL 81 3HG1 VAL 81 -2.981 12.783 -15.960 584 1HG2 VAL 81 1HG2 VAL 81 -4.780 11.691 -16.534 585 2HG2 VAL 81 2HG2 VAL 81 -4.744 10.063 -17.212 586 3HG2 VAL 81 3HG2 VAL 81 -3.892 11.376 -18.024 587 H LEU 82 H LEU 82 -2.041 7.703 -16.230 588 HA LEU 82 HA LEU 82 -0.155 7.689 -14.153 589 1HB LEU 82 2HB LEU 82 -1.779 5.791 -15.447 590 2HB LEU 82 1HB LEU 82 -0.138 5.151 -15.551 591 HG LEU 82 HG LEU 82 0.125 5.565 -13.096 592 1HD1 LEU 82 1HD1 LEU 82 -1.357 7.030 -12.211 593 2HD1 LEU 82 2HD1 LEU 82 -2.493 5.680 -12.190 594 3HD1 LEU 82 3HD1 LEU 82 -2.491 6.810 -13.545 595 1HD2 LEU 82 1HD2 LEU 82 -1.777 3.665 -14.343 596 2HD2 LEU 82 2HD2 LEU 82 -1.919 3.832 -12.593 597 3HD2 LEU 82 3HD2 LEU 82 -0.383 3.346 -13.311 598 H ASN 83 H ASN 83 0.358 7.017 -17.612 599 HA ASN 83 HA ASN 83 3.162 6.355 -17.264 600 1HB ASN 83 2HB ASN 83 1.353 6.025 -19.297 601 2HB ASN 83 1HB ASN 83 2.320 7.370 -19.904 602 1HD2 ASN 83 1HD2 ASN 83 3.050 4.332 -18.076 603 2HD2 ASN 83 2HD2 ASN 83 4.341 3.873 -19.079 604 H GLU 84 H GLU 84 1.371 9.302 -18.092 605 HA GLU 84 HA GLU 84 3.678 10.877 -18.772 606 1HB GLU 84 2HB GLU 84 0.819 11.350 -18.241 607 2HB GLU 84 1HB GLU 84 1.867 12.703 -17.808 608 1HG GLU 84 2HG GLU 84 2.958 12.204 -20.165 609 2HG GLU 84 1HG GLU 84 1.392 11.460 -20.493 610 H LEU 85 H LEU 85 2.392 9.804 -15.743 611 HA LEU 85 HA LEU 85 4.012 11.836 -14.285 612 1HB LEU 85 2HB LEU 85 1.478 10.648 -13.788 613 2HB LEU 85 1HB LEU 85 2.574 10.076 -12.529 614 HG LEU 85 HG LEU 85 1.422 12.253 -11.980 615 1HD1 LEU 85 1HD1 LEU 85 3.539 13.388 -11.259 616 2HD1 LEU 85 2HD1 LEU 85 4.443 12.234 -12.240 617 3HD1 LEU 85 3HD1 LEU 85 3.499 11.671 -10.860 618 1HD2 LEU 85 1HD2 LEU 85 1.808 14.185 -13.228 619 2HD2 LEU 85 2HD2 LEU 85 1.772 12.968 -14.504 620 3HD2 LEU 85 3HD2 LEU 85 3.317 13.570 -13.902 621 H GLY 86 H GLY 86 5.033 9.375 -15.740 622 1HA GLY 86 2HA GLY 86 6.583 7.653 -15.357 623 2HA GLY 86 1HA GLY 86 7.127 8.658 -14.012 624 H ILE 87 H ILE 87 4.386 6.481 -14.792 625 HA ILE 87 HA ILE 87 4.823 5.163 -12.163 626 HB ILE 87 HB ILE 87 2.195 6.311 -13.145 627 1HG1 ILE 87 2HG1 ILE 87 3.558 6.700 -10.476 628 2HG1 ILE 87 1HG1 ILE 87 3.928 7.731 -11.859 629 1HG2 ILE 87 1HG2 ILE 87 1.582 4.207 -12.265 630 2HG2 ILE 87 2HG2 ILE 87 1.405 5.298 -10.890 631 3HG2 ILE 87 3HG2 ILE 87 2.830 4.268 -11.020 632 1HD1 ILE 87 1HD1 ILE 87 2.153 8.707 -10.415 633 2HD1 ILE 87 2HD1 ILE 87 1.150 7.289 -10.724 634 3HD1 ILE 87 3HD1 ILE 87 1.574 8.374 -12.047 635 H LYS 88 H LYS 88 3.902 2.983 -12.101 636 HA LYS 88 HA LYS 88 3.654 1.845 -14.842 637 1HB LYS 88 2HB LYS 88 4.296 0.589 -12.162 638 2HB LYS 88 1HB LYS 88 4.036 -0.348 -13.633 639 1HG LYS 88 2HG LYS 88 5.981 0.415 -14.633 640 2HG LYS 88 1HG LYS 88 5.976 1.928 -13.727 641 1HD LYS 88 2HD LYS 88 6.831 0.909 -11.781 642 2HD LYS 88 1HD LYS 88 6.384 -0.708 -12.326 643 1HE LYS 88 2HE LYS 88 8.614 -0.803 -12.861 644 2HE LYS 88 1HE LYS 88 8.042 -0.026 -14.337 645 1HZ LYS 88 1HZ LYS 88 9.614 1.060 -12.166 646 2HZ LYS 88 2HZ LYS 88 8.364 2.074 -12.710 647 3HZ LYS 88 3HZ LYS 88 9.549 1.522 -13.796 648 H ILE 89 H ILE 89 1.733 1.025 -15.531 649 HA ILE 89 HA ILE 89 -0.544 1.068 -13.631 650 HB ILE 89 HB ILE 89 -0.678 0.484 -16.593 651 1HG1 ILE 89 2HG1 ILE 89 -1.370 3.143 -16.287 652 2HG1 ILE 89 1HG1 ILE 89 0.019 2.983 -15.210 653 1HG2 ILE 89 1HG2 ILE 89 -2.898 1.867 -15.990 654 2HG2 ILE 89 2HG2 ILE 89 -2.566 1.189 -14.396 655 3HG2 ILE 89 3HG2 ILE 89 -2.800 0.119 -15.778 656 1HD1 ILE 89 1HD1 ILE 89 1.391 3.021 -16.992 657 2HD1 ILE 89 2HD1 ILE 89 0.002 3.133 -18.072 658 3HD1 ILE 89 3HD1 ILE 89 0.624 1.552 -17.598 659 H TYR 90 H TYR 90 -2.052 -0.795 -13.642 660 HA TYR 90 HA TYR 90 -0.874 -3.360 -14.556 661 1HB TYR 90 2HB TYR 90 -0.889 -2.460 -11.814 662 2HB TYR 90 1HB TYR 90 -1.927 -3.876 -11.981 663 HD1 TYR 90 HD1 TYR 90 1.421 -2.619 -13.129 664 HD2 TYR 90 HD2 TYR 90 -0.944 -5.988 -11.895 665 HE1 TYR 90 HE1 TYR 90 3.425 -4.073 -13.261 666 HE2 TYR 90 HE2 TYR 90 1.060 -7.443 -12.025 667 HH TYR 90 HH TYR 90 3.292 -7.481 -12.261 668 H ARG 91 H ARG 91 -2.454 -4.758 -15.258 669 HA ARG 91 HA ARG 91 -5.264 -3.824 -14.977 670 1HB ARG 91 2HB ARG 91 -4.385 -4.271 -17.262 671 2HB ARG 91 1HB ARG 91 -4.101 -5.950 -16.802 672 1HG ARG 91 2HG ARG 91 -6.349 -6.468 -16.767 673 2HG ARG 91 1HG ARG 91 -6.826 -4.829 -16.325 674 1HD ARG 91 2HD ARG 91 -7.034 -4.189 -18.486 675 2HD ARG 91 1HD ARG 91 -5.524 -4.976 -18.948 676 HE ARG 91 HE ARG 91 -7.024 -7.147 -18.783 677 1HH1 ARG 91 1HH2 ARG 91 -6.921 -5.726 -21.431 678 2HH1 ARG 91 2HH2 ARG 91 -8.603 -5.529 -21.795 679 1HH2 ARG 91 2HH1 ARG 91 -9.652 -6.154 -18.550 680 2HH2 ARG 91 1HH1 ARG 91 -10.149 -5.769 -20.164 681 H ALA 92 H ALA 92 -6.817 -5.089 -13.965 682 HA ALA 92 HA ALA 92 -5.829 -7.236 -12.234 683 1HB ALA 92 1HB ALA 92 -8.745 -6.607 -12.564 684 2HB ALA 92 2HB ALA 92 -7.699 -5.428 -11.771 685 3HB ALA 92 3HB ALA 92 -7.857 -7.053 -11.106 686 H THR 93 H THR 93 -5.545 -9.228 -13.116 687 HA THR 93 HA THR 93 -7.771 -10.377 -14.704 688 HB THR 93 HB THR 93 -5.061 -11.012 -15.726 689 HG1 THR 93 HG1 THR 93 -4.831 -9.089 -16.762 690 1HG2 THR 93 1HG2 THR 93 -6.222 -11.470 -17.641 691 2HG2 THR 93 2HG2 THR 93 -7.279 -10.070 -17.456 692 3HG2 THR 93 3HG2 THR 93 -7.591 -11.538 -16.531 693 H GLY 94 H GLY 94 -6.209 -10.669 -12.009 694 1HA GLY 94 2HA GLY 94 -5.330 -13.487 -12.243 695 2HA GLY 94 1HA GLY 94 -5.160 -12.470 -10.812 696 H THR 95 H THR 95 -6.336 -13.428 -9.209 697 HA THR 95 HA THR 95 -9.128 -14.267 -9.886 698 HB THR 95 HB THR 95 -7.204 -15.511 -7.898 699 HG1 THR 95 HG1 THR 95 -8.510 -16.688 -10.108 700 1HG2 THR 95 1HG2 THR 95 -9.197 -15.849 -6.800 701 2HG2 THR 95 2HG2 THR 95 -9.282 -17.199 -7.933 702 3HG2 THR 95 3HG2 THR 95 -10.155 -15.704 -8.274 703 H SER 96 H SER 96 -7.057 -13.351 -7.104 704 HA SER 96 HA SER 96 -9.351 -11.699 -6.125 705 1HB SER 96 2HB SER 96 -7.396 -13.045 -4.266 706 2HB SER 96 1HB SER 96 -8.989 -12.393 -3.899 707 HG SER 96 HG SER 96 -8.291 -14.858 -4.739 708 H VAL 97 H VAL 97 -8.477 -10.038 -4.438 709 HA VAL 97 HA VAL 97 -6.339 -8.548 -5.745 710 HB VAL 97 HB VAL 97 -7.969 -8.066 -3.241 711 1HG1 VAL 97 1HG1 VAL 97 -5.657 -6.538 -4.422 712 2HG1 VAL 97 2HG1 VAL 97 -5.959 -6.951 -2.735 713 3HG1 VAL 97 3HG1 VAL 97 -6.920 -5.699 -3.523 714 1HG2 VAL 97 1HG2 VAL 97 -7.900 -6.835 -6.012 715 2HG2 VAL 97 2HG2 VAL 97 -8.836 -6.179 -4.670 716 3HG2 VAL 97 3HG2 VAL 97 -9.210 -7.780 -5.306 717 H GLU 98 H GLU 98 -6.712 -10.243 -2.629 718 HA GLU 98 HA GLU 98 -4.186 -9.607 -1.526 719 1HB GLU 98 2HB GLU 98 -4.439 -11.897 -0.375 720 2HB GLU 98 1HB GLU 98 -5.728 -10.723 -0.105 721 1HG GLU 98 2HG GLU 98 -6.311 -12.193 -2.499 722 2HG GLU 98 1HG GLU 98 -5.958 -13.336 -1.203 723 H GLU 99 H GLU 99 -5.089 -12.039 -3.927 724 HA GLU 99 HA GLU 99 -2.469 -13.307 -3.933 725 1HB GLU 99 2HB GLU 99 -4.628 -14.410 -4.676 726 2HB GLU 99 1HB GLU 99 -4.565 -13.395 -6.118 727 1HG GLU 99 2HG GLU 99 -3.545 -15.525 -6.659 728 2HG GLU 99 1HG GLU 99 -2.267 -14.311 -6.578 729 H ASN 100 H ASN 100 -4.159 -11.314 -6.397 730 HA ASN 100 HA ASN 100 -1.980 -10.907 -8.110 731 1HB ASN 100 2HB ASN 100 -4.291 -10.139 -8.591 732 2HB ASN 100 1HB ASN 100 -4.104 -8.866 -7.384 733 1HD2 ASN 100 1HD2 ASN 100 -3.970 -6.983 -8.660 734 2HD2 ASN 100 2HD2 ASN 100 -2.844 -6.760 -9.911 735 H LEU 101 H LEU 101 -2.506 -9.637 -4.926 736 HA LEU 101 HA LEU 101 -0.812 -7.331 -5.075 737 1HB LEU 101 2HB LEU 101 -2.297 -7.637 -3.177 738 2HB LEU 101 1HB LEU 101 -1.498 -9.149 -2.748 739 HG LEU 101 HG LEU 101 0.654 -7.780 -2.534 740 1HD1 LEU 101 1HD1 LEU 101 0.428 -5.682 -3.384 741 2HD1 LEU 101 2HD1 LEU 101 -0.304 -5.310 -1.824 742 3HD1 LEU 101 3HD1 LEU 101 -1.326 -5.699 -3.208 743 1HD2 LEU 101 1HD2 LEU 101 0.092 -7.069 -0.260 744 2HD2 LEU 101 2HD2 LEU 101 -0.702 -8.606 -0.606 745 3HD2 LEU 101 3HD2 LEU 101 -1.628 -7.106 -0.648 746 H LYS 102 H LYS 102 -0.018 -10.392 -3.407 747 HA LYS 102 HA LYS 102 2.802 -9.932 -3.463 748 1HB LYS 102 2HB LYS 102 0.990 -12.151 -2.768 749 2HB LYS 102 1HB LYS 102 2.578 -12.667 -3.337 750 1HG LYS 102 2HG LYS 102 3.143 -10.538 -1.633 751 2HG LYS 102 1HG LYS 102 1.844 -11.405 -0.812 752 1HD LYS 102 2HD LYS 102 3.647 -13.342 -1.878 753 2HD LYS 102 1HD LYS 102 4.600 -12.136 -1.013 754 1HE LYS 102 2HE LYS 102 3.042 -12.381 0.936 755 2HE LYS 102 1HE LYS 102 2.237 -13.694 0.076 756 1HZ LYS 102 1HZ LYS 102 5.143 -13.665 0.666 757 2HZ LYS 102 2HZ LYS 102 4.218 -14.967 0.086 758 3HZ LYS 102 3HZ LYS 102 3.995 -14.403 1.672 759 H LEU 103 H LEU 103 0.634 -10.892 -5.924 760 HA LEU 103 HA LEU 103 2.534 -12.443 -7.499 761 1HB LEU 103 2HB LEU 103 -0.172 -12.200 -7.553 762 2HB LEU 103 1HB LEU 103 0.266 -11.109 -8.867 763 HG LEU 103 HG LEU 103 1.897 -13.195 -9.436 764 1HD1 LEU 103 1HD1 LEU 103 -0.060 -15.093 -9.171 765 2HD1 LEU 103 2HD1 LEU 103 -0.242 -14.195 -7.664 766 3HD1 LEU 103 3HD1 LEU 103 1.311 -14.923 -8.074 767 1HD2 LEU 103 1HD2 LEU 103 0.688 -12.920 -11.317 768 2HD2 LEU 103 2HD2 LEU 103 -0.577 -12.096 -10.404 769 3HD2 LEU 103 3HD2 LEU 103 -0.622 -13.849 -10.588 770 H PHE 104 H PHE 104 1.555 -9.066 -7.296 771 HA PHE 104 HA PHE 104 2.862 -8.236 -9.739 772 1HB PHE 104 2HB PHE 104 1.190 -6.765 -8.930 773 2HB PHE 104 1HB PHE 104 1.837 -6.791 -7.291 774 HD1 PHE 104 HD1 PHE 104 1.867 -5.103 -10.465 775 HD2 PHE 104 HD2 PHE 104 4.169 -5.768 -6.899 776 HE1 PHE 104 HE1 PHE 104 3.231 -3.096 -10.972 777 HE2 PHE 104 HE2 PHE 104 5.535 -3.760 -7.407 778 HZ PHE 104 HZ PHE 104 5.066 -2.423 -9.444 779 H THR 105 H THR 105 3.910 -8.639 -6.394 780 HA THR 105 HA THR 105 6.401 -7.190 -6.738 781 HB THR 105 HB THR 105 5.548 -9.232 -4.666 782 HG1 THR 105 HG1 THR 105 5.482 -6.429 -4.883 783 1HG2 THR 105 1HG2 THR 105 7.886 -9.264 -4.538 784 2HG2 THR 105 2HG2 THR 105 7.460 -7.994 -3.389 785 3HG2 THR 105 3HG2 THR 105 8.029 -7.568 -5.004 786 H GLU 106 H GLU 106 5.331 -10.394 -7.512 787 HA GLU 106 HA GLU 106 8.105 -11.412 -7.707 788 1HB GLU 106 2HB GLU 106 5.533 -12.805 -8.495 789 2HB GLU 106 1HB GLU 106 7.104 -13.549 -8.199 790 1HG GLU 106 2HG GLU 106 5.653 -11.967 -6.072 791 2HG GLU 106 1HG GLU 106 5.403 -13.699 -6.287 792 H GLY 107 H GLY 107 6.529 -9.332 -9.514 793 1HA GLY 107 2HA GLY 107 6.514 -8.774 -11.795 794 2HA GLY 107 1HA GLY 107 8.018 -9.694 -11.876 795 H ASN 108 H ASN 108 4.593 -10.589 -11.327 796 HA ASN 108 HA ASN 108 4.937 -12.998 -12.947 797 1HB ASN 108 2HB ASN 108 3.282 -12.388 -10.884 798 2HB ASN 108 1HB ASN 108 2.203 -12.087 -12.247 799 1HD2 ASN 108 1HD2 ASN 108 3.068 -14.504 -10.159 800 2HD2 ASN 108 2HD2 ASN 108 2.785 -15.855 -11.147 801 H LEU 109 H LEU 109 2.610 -10.277 -13.210 802 HA LEU 109 HA LEU 109 3.209 -9.626 -15.904 803 1HB LEU 109 2HB LEU 109 1.412 -10.763 -17.121 804 2HB LEU 109 1HB LEU 109 2.453 -11.956 -16.348 805 HG LEU 109 HG LEU 109 0.317 -11.102 -14.567 806 1HD1 LEU 109 1HD1 LEU 109 -1.584 -11.802 -15.756 807 2HD1 LEU 109 2HD1 LEU 109 -0.627 -12.649 -16.972 808 3HD1 LEU 109 3HD1 LEU 109 -0.687 -10.887 -16.968 809 1HD2 LEU 109 1HD2 LEU 109 1.915 -13.331 -15.041 810 2HD2 LEU 109 2HD2 LEU 109 0.308 -13.863 -15.537 811 3HD2 LEU 109 3HD2 LEU 109 0.570 -13.253 -13.903 812 H GLU 110 H GLU 110 0.425 -9.239 -16.760 813 HA GLU 110 HA GLU 110 -1.282 -7.653 -16.499 814 1HB GLU 110 2HB GLU 110 -0.644 -8.130 -13.571 815 2HB GLU 110 1HB GLU 110 -2.025 -7.199 -14.150 816 1HG GLU 110 2HG GLU 110 -2.909 -9.146 -15.316 817 2HG GLU 110 1HG GLU 110 -1.481 -10.088 -14.888 818 H GLU 111 H GLU 111 1.607 -6.883 -16.697 819 HA GLU 111 HA GLU 111 1.512 -4.251 -15.286 820 1HB GLU 111 2HB GLU 111 3.936 -4.173 -15.597 821 2HB GLU 111 1HB GLU 111 3.491 -5.696 -14.826 822 1HG GLU 111 2HG GLU 111 3.760 -6.920 -16.846 823 2HG GLU 111 1HG GLU 111 3.787 -5.450 -17.823 824 H ILE 112 H ILE 112 1.869 -2.342 -16.497 825 HA ILE 112 HA ILE 112 2.254 -2.547 -19.415 826 HB ILE 112 HB ILE 112 -0.237 -1.309 -18.197 827 1HG1 ILE 112 2HG1 ILE 112 0.253 -3.771 -19.893 828 2HG1 ILE 112 1HG1 ILE 112 -0.498 -3.695 -18.298 829 1HG2 ILE 112 1HG2 ILE 112 0.051 -1.630 -21.127 830 2HG2 ILE 112 2HG2 ILE 112 1.094 -0.410 -20.398 831 3HG2 ILE 112 3HG2 ILE 112 -0.656 -0.305 -20.205 832 1HD1 ILE 112 1HD1 ILE 112 -2.431 -3.736 -19.523 833 2HD1 ILE 112 2HD1 ILE 112 -1.652 -3.081 -20.964 834 3HD1 ILE 112 3HD1 ILE 112 -2.122 -2.004 -19.650 835 H ARG 113 H ARG 113 3.545 -0.864 -20.026 836 HA ARG 113 HA ARG 113 3.415 1.663 -18.450 837 1HB ARG 113 2HB ARG 113 6.024 1.649 -18.774 838 2HB ARG 113 1HB ARG 113 5.311 0.738 -17.443 839 1HG ARG 113 2HG ARG 113 5.663 -1.313 -18.470 840 2HG ARG 113 1HG ARG 113 5.641 -0.620 -20.093 841 1HD ARG 113 2HD ARG 113 7.806 0.652 -19.028 842 2HD ARG 113 1HD ARG 113 7.892 -0.901 -18.197 843 HE ARG 113 HE ARG 113 7.561 -1.737 -20.741 844 1HH1 ARG 113 1HH2 ARG 113 10.066 -0.391 -19.005 845 2HH1 ARG 113 2HH2 ARG 113 11.049 0.008 -20.373 846 1HH2 ARG 113 2HH1 ARG 113 8.581 -0.727 -22.696 847 2HH2 ARG 113 1HH1 ARG 113 10.209 -0.181 -22.462 848 H SER 114 H SER 114 2.686 0.610 -21.268 849 HA SER 114 HA SER 114 2.702 1.497 -23.441 850 1HB SER 114 2HB SER 114 3.208 3.757 -21.634 851 2HB SER 114 1HB SER 114 3.847 4.005 -23.257 852 HG SER 114 HG SER 114 1.520 4.540 -22.748 853 HA PRO 115 HA PRO 115 6.767 0.775 -24.936 854 1HB PRO 115 2HB PRO 115 6.446 1.709 -27.501 855 2HB PRO 115 1HB PRO 115 5.775 0.172 -26.927 856 1HG PRO 115 2HG PRO 115 4.368 2.744 -27.474 857 2HG PRO 115 1HG PRO 115 3.738 1.088 -27.516 858 1HD PRO 115 2HD PRO 115 3.353 2.959 -25.423 859 2HD PRO 115 1HD PRO 115 3.012 1.217 -25.345 860 H GLY 116 H GLY 116 5.382 4.006 -25.251 861 1HA GLY 116 2HA GLY 116 7.316 5.575 -24.227 862 2HA GLY 116 1HA GLY 116 8.026 5.203 -25.799 863 H SER 117 H SER 117 7.599 6.713 -27.322 864 HA SER 117 HA SER 117 4.888 7.854 -27.529 865 1HB SER 117 2HB SER 117 7.165 9.314 -26.409 866 2HB SER 117 1HB SER 117 6.451 10.133 -27.796 867 HG SER 117 HG SER 117 5.178 10.783 -26.187 868 H GLY 118 H GLY 118 6.813 6.165 -29.129 869 1HA GLY 118 2HA GLY 118 6.181 6.855 -31.710 870 2HA GLY 118 1HA GLY 118 7.596 7.855 -31.384 871 H ARG 119 H ARG 119 7.311 5.567 -33.255 872 HA ARG 119 HA ARG 119 9.692 4.072 -32.324 873 1HB ARG 119 2HB ARG 119 7.270 2.933 -31.893 874 2HB ARG 119 1HB ARG 119 7.574 2.385 -33.542 875 1HG ARG 119 2HG ARG 119 9.967 1.812 -32.589 876 2HG ARG 119 1HG ARG 119 9.122 1.804 -31.039 877 1HD ARG 119 2HD ARG 119 7.646 0.371 -33.115 878 2HD ARG 119 1HD ARG 119 9.245 -0.317 -32.833 879 HE ARG 119 HE ARG 119 7.159 0.009 -30.718 880 1HH1 ARG 119 2HH1 ARG 119 9.097 -2.150 -32.391 881 2HH1 ARG 119 1HH1 ARG 119 9.665 -3.001 -30.993 882 1HH2 ARG 119 1HH2 ARG 119 8.283 -0.758 -28.738 883 2HH2 ARG 119 2HH2 ARG 119 9.203 -2.214 -28.924 884 H GLY 120 H GLY 120 11.033 3.528 -34.034 885 1HA GLY 120 2HA GLY 120 10.735 2.816 -36.577 886 2HA GLY 120 1HA GLY 120 10.180 4.485 -36.710 887 H ARG 121 H ARG 121 12.968 2.448 -35.998 888 HA ARG 121 HA ARG 121 14.792 4.692 -35.645 889 1HB ARG 121 2HB ARG 121 15.430 1.798 -36.292 890 2HB ARG 121 1HB ARG 121 16.544 2.998 -35.635 891 1HG ARG 121 2HG ARG 121 15.840 2.575 -33.541 892 2HG ARG 121 1HG ARG 121 14.166 2.880 -34.004 893 1HD ARG 121 2HD ARG 121 14.790 0.394 -35.145 894 2HD ARG 121 1HD ARG 121 15.501 0.346 -33.533 895 HE ARG 121 HE ARG 121 12.975 1.347 -33.070 896 1HH1 ARG 121 2HH1 ARG 121 14.392 -1.457 -34.481 897 2HH1 ARG 121 1HH1 ARG 121 12.964 -2.424 -34.319 898 1HH2 ARG 121 1HH2 ARG 121 11.058 0.138 -32.969 899 2HH2 ARG 121 2HH2 ARG 121 11.079 -1.523 -33.461 900 H ARG 122 H ARG 122 14.038 2.426 -38.288 901 HA ARG 122 HA ARG 122 14.405 2.631 -40.597 902 1HB ARG 122 2HB ARG 122 13.524 5.037 -39.924 903 2HB ARG 122 1HB ARG 122 15.192 5.504 -40.257 904 1HG ARG 122 2HG ARG 122 14.288 3.749 -42.343 905 2HG ARG 122 1HG ARG 122 13.109 5.045 -42.137 906 1HD ARG 122 2HD ARG 122 15.956 5.876 -42.086 907 2HD ARG 122 1HD ARG 122 15.352 5.306 -43.641 908 HE ARG 122 HE ARG 122 14.426 7.473 -43.758 909 1HH1 ARG 122 1HH2 ARG 122 15.328 8.051 -40.854 910 2HH1 ARG 122 2HH2 ARG 122 13.812 8.485 -40.139 911 1HH2 ARG 122 2HH1 ARG 122 11.915 7.199 -42.742 912 2HH2 ARG 122 1HH1 ARG 122 11.878 8.006 -41.209 913 H ARG 123 H ARG 123 16.185 2.316 -41.934 914 HA ARG 123 HA ARG 123 18.813 3.395 -41.143 915 1HB ARG 123 2HB ARG 123 19.857 1.132 -41.151 916 2HB ARG 123 1HB ARG 123 18.702 1.332 -39.832 917 1HG ARG 123 2HG ARG 123 17.832 -0.625 -40.608 918 2HG ARG 123 1HG ARG 123 17.069 0.408 -41.818 919 1HD ARG 123 2HD ARG 123 18.222 -0.648 -43.434 920 2HD ARG 123 1HD ARG 123 19.731 -0.116 -42.692 921 HE ARG 123 HE ARG 123 18.567 -2.458 -41.391 922 1HH1 ARG 123 1HH2 ARG 123 20.370 -1.336 -44.106 923 2HH1 ARG 123 2HH2 ARG 123 21.367 -2.748 -44.195 924 1HH2 ARG 123 2HH1 ARG 123 19.938 -4.260 -41.421 925 2HH2 ARG 123 1HH1 ARG 123 21.123 -4.404 -42.677 926 H ARG 124 HN ARG 124 16.856 3.479 -43.445 927 HA ARG 124 HA ARG 124 17.146 3.732 -45.771 928 1HB ARG 124 2HB ARG 124 19.612 4.144 -44.985 929 2HB ARG 124 1HB ARG 124 19.884 2.503 -45.573 930 1HG ARG 124 2HG ARG 124 20.098 3.374 -47.640 931 2HG ARG 124 1HG ARG 124 18.373 3.740 -47.584 932 1HD ARG 124 2HD ARG 124 19.060 5.894 -47.852 933 2HD ARG 124 1HD ARG 124 19.388 5.811 -46.122 934 HE ARG 124 HE ARG 124 21.681 5.915 -46.633 935 1HH1 ARG 124 1HH2 ARG 124 20.715 6.970 -49.376 936 2HH1 ARG 124 2HH2 ARG 124 21.673 5.994 -50.439 937 1HH2 ARG 124 1HH1 ARG 124 22.552 3.710 -47.981 938 2HH2 ARG 124 2HH1 ARG 124 22.713 4.149 -49.650 Start of MODEL 12 1 1H MET 1 1H MET 1 9.015 2.263 -3.231 2 2H MET 1 2H MET 1 8.209 3.649 -3.794 3 3H MET 1 3H MET 1 9.552 3.042 -4.639 4 HA MET 1 HA MET 1 7.476 2.482 -5.763 5 1HB MET 1 2HB MET 1 9.130 0.275 -4.524 6 2HB MET 1 1HB MET 1 7.871 -0.059 -5.714 7 1HG MET 1 2HG MET 1 8.998 1.588 -7.253 8 2HG MET 1 1HG MET 1 10.321 1.684 -6.092 9 1HE MET 1 1HE MET 1 10.288 0.042 -9.529 10 2HE MET 1 2HE MET 1 8.720 0.406 -8.810 11 3HE MET 1 3HE MET 1 9.159 -1.266 -9.150 12 H LYS 2 H LYS 2 5.323 2.122 -5.450 13 HA LYS 2 HA LYS 2 4.473 0.618 -3.024 14 1HB LYS 2 2HB LYS 2 4.283 3.413 -3.260 15 2HB LYS 2 1HB LYS 2 2.657 2.810 -3.586 16 1HG LYS 2 2HG LYS 2 3.176 1.272 -1.483 17 2HG LYS 2 1HG LYS 2 4.303 2.573 -1.099 18 1HD LYS 2 2HD LYS 2 1.814 3.728 -1.941 19 2HD LYS 2 1HD LYS 2 1.492 2.533 -0.684 20 1HE LYS 2 2HE LYS 2 1.929 4.674 0.380 21 2HE LYS 2 1HE LYS 2 3.285 3.595 0.708 22 1HZ LYS 2 1HZ LYS 2 4.563 5.188 -0.130 23 2HZ LYS 2 2HZ LYS 2 3.235 6.055 -0.738 24 3HZ LYS 2 3HZ LYS 2 3.928 4.804 -1.654 25 H ILE 3 H ILE 3 2.662 -0.652 -3.369 26 HA ILE 3 HA ILE 3 1.551 -0.601 -6.142 27 HB ILE 3 HB ILE 3 1.540 -2.891 -4.156 28 1HG1 ILE 3 2HG1 ILE 3 3.246 -3.018 -6.568 29 2HG1 ILE 3 1HG1 ILE 3 3.774 -1.859 -5.349 30 1HG2 ILE 3 1HG2 ILE 3 1.389 -3.472 -7.019 31 2HG2 ILE 3 2HG2 ILE 3 0.042 -2.477 -6.463 32 3HG2 ILE 3 3HG2 ILE 3 0.356 -4.039 -5.705 33 1HD1 ILE 3 1HD1 ILE 3 3.821 -4.786 -5.276 34 2HD1 ILE 3 2HD1 ILE 3 3.085 -4.076 -3.839 35 3HD1 ILE 3 3HD1 ILE 3 4.725 -3.624 -4.305 36 H ALA 4 H ALA 4 -0.241 0.736 -5.916 37 HA ALA 4 HA ALA 4 -2.127 0.178 -3.682 38 1HB ALA 4 1HB ALA 4 -1.658 2.517 -3.889 39 2HB ALA 4 2HB ALA 4 -3.263 2.285 -4.580 40 3HB ALA 4 3HB ALA 4 -1.867 2.473 -5.640 41 H ILE 5 H ILE 5 -3.683 -1.297 -4.170 42 HA ILE 5 HA ILE 5 -4.438 -1.724 -6.998 43 HB ILE 5 HB ILE 5 -5.478 -3.196 -4.568 44 1HG1 ILE 5 2HG1 ILE 5 -3.584 -4.836 -5.654 45 2HG1 ILE 5 1HG1 ILE 5 -2.832 -3.259 -5.891 46 1HG2 ILE 5 1HG2 ILE 5 -5.453 -3.628 -7.541 47 2HG2 ILE 5 2HG2 ILE 5 -6.782 -3.827 -6.399 48 3HG2 ILE 5 3HG2 ILE 5 -5.487 -5.022 -6.461 49 1HD1 ILE 5 1HD1 ILE 5 -2.154 -3.435 -3.739 50 2HD1 ILE 5 2HD1 ILE 5 -3.277 -4.754 -3.410 51 3HD1 ILE 5 3HD1 ILE 5 -3.829 -3.082 -3.316 52 H ALA 6 H ALA 6 -6.501 -1.311 -7.802 53 HA ALA 6 HA ALA 6 -8.094 0.648 -6.319 54 1HB ALA 6 1HB ALA 6 -9.000 -0.651 -8.874 55 2HB ALA 6 2HB ALA 6 -7.651 0.483 -8.906 56 3HB ALA 6 3HB ALA 6 -9.232 1.010 -8.328 57 H SER 7 H SER 7 -10.575 0.268 -6.319 58 HA SER 7 HA SER 7 -12.303 -0.933 -5.266 59 1HB SER 7 2HB SER 7 -11.132 -3.030 -7.115 60 2HB SER 7 1HB SER 7 -12.666 -3.211 -6.267 61 HG SER 7 HG SER 7 -13.559 -1.848 -7.608 62 H SER 8 H SER 8 -10.467 -3.897 -5.587 63 HA SER 8 HA SER 8 -9.700 -5.375 -3.931 64 1HB SER 8 2HB SER 8 -7.925 -3.654 -3.797 65 2HB SER 8 1HB SER 8 -8.888 -2.758 -2.626 66 HG SER 8 HG SER 8 -7.279 -4.191 -1.709 67 H GLY 9 H GLY 9 -12.468 -4.164 -3.707 68 1HA GLY 9 2HA GLY 9 -14.208 -4.015 -2.119 69 2HA GLY 9 1HA GLY 9 -13.440 -5.462 -1.461 70 H THR 10 H THR 10 -12.325 -5.296 0.469 71 HA THR 10 HA THR 10 -11.582 -2.630 1.495 72 HB THR 10 HB THR 10 -12.807 -3.601 3.726 73 HG1 THR 10 HG1 THR 10 -14.772 -4.042 1.817 74 1HG2 THR 10 1HG2 THR 10 -13.967 -1.877 1.522 75 2HG2 THR 10 2HG2 THR 10 -13.051 -1.331 2.926 76 3HG2 THR 10 3HG2 THR 10 -14.663 -2.011 3.137 77 H ASP 11 H ASP 11 -12.082 -5.897 2.886 78 HA ASP 11 HA ASP 11 -9.189 -6.309 3.093 79 1HB ASP 11 2HB ASP 11 -9.430 -4.927 5.041 80 2HB ASP 11 1HB ASP 11 -10.892 -5.778 5.539 81 H LEU 12 H LEU 12 -11.777 -7.540 5.202 82 HA LEU 12 HA LEU 12 -11.053 -10.266 4.825 83 1HB LEU 12 2HB LEU 12 -13.399 -8.821 5.962 84 2HB LEU 12 1HB LEU 12 -13.631 -10.518 5.544 85 HG LEU 12 HG LEU 12 -11.168 -10.523 6.810 86 1HD1 LEU 12 1HD1 LEU 12 -13.043 -8.590 8.205 87 2HD1 LEU 12 2HD1 LEU 12 -11.443 -8.220 7.561 88 3HD1 LEU 12 3HD1 LEU 12 -11.609 -9.301 8.945 89 1HD2 LEU 12 1HD2 LEU 12 -13.648 -10.892 8.443 90 2HD2 LEU 12 2HD2 LEU 12 -12.235 -11.937 8.302 91 3HD2 LEU 12 3HD2 LEU 12 -13.440 -11.905 7.015 92 H GLY 13 H GLY 13 -12.869 -8.110 2.832 93 1HA GLY 13 2HA GLY 13 -13.529 -10.414 1.045 94 2HA GLY 13 1HA GLY 13 -14.702 -9.126 1.325 95 H SER 14 H SER 14 -11.205 -8.710 0.940 96 HA SER 14 HA SER 14 -11.641 -6.663 -1.086 97 1HB SER 14 2HB SER 14 -9.134 -7.959 0.013 98 2HB SER 14 1HB SER 14 -9.111 -6.678 -1.195 99 HG SER 14 HG SER 14 -9.305 -5.366 0.425 100 H GLU 15 H GLU 15 -12.762 -8.013 -2.689 101 HA GLU 15 HA GLU 15 -11.346 -10.233 -3.930 102 1HB GLU 15 2HB GLU 15 -13.221 -10.204 -5.536 103 2HB GLU 15 1HB GLU 15 -13.818 -10.128 -3.877 104 1HG GLU 15 2HG GLU 15 -14.378 -7.858 -4.042 105 2HG GLU 15 1HG GLU 15 -13.286 -7.589 -5.402 106 H VAL 16 H VAL 16 -12.388 -8.942 -6.631 107 HA VAL 16 HA VAL 16 -10.339 -6.879 -7.057 108 HB VAL 16 HB VAL 16 -9.128 -9.061 -7.322 109 1HG1 VAL 16 1HG1 VAL 16 -10.527 -9.573 -9.888 110 2HG1 VAL 16 2HG1 VAL 16 -11.436 -9.962 -8.426 111 3HG1 VAL 16 3HG1 VAL 16 -9.868 -10.716 -8.716 112 1HG2 VAL 16 1HG2 VAL 16 -9.553 -7.354 -9.796 113 2HG2 VAL 16 2HG2 VAL 16 -8.252 -8.535 -9.628 114 3HG2 VAL 16 3HG2 VAL 16 -8.317 -7.136 -8.555 115 H SER 17 H SER 17 -12.707 -6.041 -7.331 116 HA SER 17 HA SER 17 -14.355 -6.741 -9.496 117 1HB SER 17 2HB SER 17 -13.801 -4.039 -8.248 118 2HB SER 17 1HB SER 17 -15.051 -4.296 -9.462 119 HG SER 17 HG SER 17 -16.220 -5.353 -8.039 120 H ARG 18 H ARG 18 -14.554 -5.753 -11.641 121 HA ARG 18 HA ARG 18 -11.880 -5.066 -12.762 122 1HB ARG 18 2HB ARG 18 -14.322 -5.706 -14.405 123 2HB ARG 18 1HB ARG 18 -12.622 -5.920 -14.823 124 1HG ARG 18 2HG ARG 18 -12.929 -7.467 -12.530 125 2HG ARG 18 1HG ARG 18 -14.426 -7.744 -13.424 126 1HD ARG 18 2HD ARG 18 -13.236 -8.465 -15.373 127 2HD ARG 18 1HD ARG 18 -11.696 -7.909 -14.717 128 HE ARG 18 HE ARG 18 -12.363 -9.743 -12.858 129 1HH1 ARG 18 1HH2 ARG 18 -14.049 -10.346 -15.588 130 2HH1 ARG 18 2HH2 ARG 18 -13.233 -11.808 -16.033 131 1HH2 ARG 18 2HH1 ARG 18 -10.677 -11.399 -13.728 132 2HH2 ARG 18 1HH1 ARG 18 -11.326 -12.404 -14.980 133 H PHE 19 H PHE 19 -14.183 -3.346 -11.435 134 HA PHE 19 HA PHE 19 -14.397 -1.342 -13.639 135 1HB PHE 19 2HB PHE 19 -16.386 -2.353 -12.061 136 2HB PHE 19 1HB PHE 19 -15.939 -0.908 -11.153 137 HD1 PHE 19 HD1 PHE 19 -17.182 -2.176 -14.398 138 HD2 PHE 19 HD2 PHE 19 -16.310 1.312 -12.044 139 HE1 PHE 19 HE1 PHE 19 -18.413 -0.768 -16.029 140 HE2 PHE 19 HE2 PHE 19 -17.540 2.720 -13.675 141 HZ PHE 19 HZ PHE 19 -18.591 1.680 -15.668 142 H PHE 20 H PHE 20 -12.580 -0.062 -13.453 143 HA PHE 20 HA PHE 20 -11.796 0.864 -10.732 144 1HB PHE 20 2HB PHE 20 -9.945 -0.044 -11.981 145 2HB PHE 20 1HB PHE 20 -10.356 0.923 -13.398 146 HD1 PHE 20 HD1 PHE 20 -8.568 2.426 -13.699 147 HD2 PHE 20 HD2 PHE 20 -10.243 1.872 -9.781 148 HE1 PHE 20 HE1 PHE 20 -7.167 4.284 -12.837 149 HE2 PHE 20 HE2 PHE 20 -8.844 3.731 -8.919 150 HZ PHE 20 HZ PHE 20 -7.306 4.936 -10.448 151 H GLY 21 H GLY 21 -12.298 2.915 -10.124 152 1HA GLY 21 2HA GLY 21 -12.084 5.311 -11.334 153 2HA GLY 21 1HA GLY 21 -13.550 4.707 -12.111 154 H ARG 22 H ARG 22 -15.161 3.729 -10.390 155 HA ARG 22 HA ARG 22 -15.579 5.864 -8.385 156 1HB ARG 22 2HB ARG 22 -17.374 4.850 -10.005 157 2HB ARG 22 1HB ARG 22 -17.445 3.544 -8.820 158 1HG ARG 22 2HG ARG 22 -17.502 5.816 -7.239 159 2HG ARG 22 1HG ARG 22 -18.474 6.281 -8.636 160 1HD ARG 22 2HD ARG 22 -19.838 4.245 -8.376 161 2HD ARG 22 1HD ARG 22 -18.865 3.767 -6.985 162 HE ARG 22 HE ARG 22 -19.945 6.406 -6.583 163 1HH1 ARG 22 2HH1 ARG 22 -22.191 4.497 -7.596 164 2HH1 ARG 22 1HH1 ARG 22 -22.872 4.008 -6.081 165 1HH2 ARG 22 1HH2 ARG 22 -20.193 5.157 -4.204 166 2HH2 ARG 22 2HH2 ARG 22 -21.740 4.378 -4.162 167 H ALA 23 H ALA 23 -14.274 2.734 -8.558 168 HA ALA 23 HA ALA 23 -14.966 1.365 -6.278 169 1HB ALA 23 1HB ALA 23 -13.120 0.178 -6.779 170 2HB ALA 23 2HB ALA 23 -12.077 1.540 -6.372 171 3HB ALA 23 3HB ALA 23 -12.741 1.393 -7.999 172 HA PRO 24 HA PRO 24 -14.077 4.679 -3.316 173 1HB PRO 24 2HB PRO 24 -15.952 3.820 -1.503 174 2HB PRO 24 1HB PRO 24 -16.339 4.855 -2.889 175 1HG PRO 24 2HG PRO 24 -16.917 1.960 -2.494 176 2HG PRO 24 1HG PRO 24 -17.753 3.141 -3.514 177 1HD PRO 24 2HD PRO 24 -15.884 1.187 -4.391 178 2HD PRO 24 1HD PRO 24 -16.524 2.539 -5.349 179 H TYR 25 H TYR 25 -12.373 2.366 -3.499 180 HA TYR 25 HA TYR 25 -11.679 2.057 -0.675 181 1HB TYR 25 2HB TYR 25 -12.794 -0.231 -2.296 182 2HB TYR 25 1HB TYR 25 -11.673 -0.520 -0.965 183 HD1 TYR 25 HD1 TYR 25 -12.271 1.025 1.212 184 HD2 TYR 25 HD2 TYR 25 -15.052 -0.375 -1.752 185 HE1 TYR 25 HE1 TYR 25 -14.129 1.275 2.836 186 HE2 TYR 25 HE2 TYR 25 -16.910 -0.125 -0.126 187 HH TYR 25 HH TYR 25 -16.787 1.666 2.543 188 H PHE 26 H PHE 26 -9.921 3.250 -1.979 189 HA PHE 26 HA PHE 26 -8.253 1.583 -3.716 190 1HB PHE 26 2HB PHE 26 -7.674 4.289 -2.466 191 2HB PHE 26 1HB PHE 26 -6.757 3.532 -3.770 192 HD1 PHE 26 HD1 PHE 26 -9.338 2.282 -5.061 193 HD2 PHE 26 HD2 PHE 26 -8.260 6.254 -3.825 194 HE1 PHE 26 HE1 PHE 26 -10.917 3.228 -6.724 195 HE2 PHE 26 HE2 PHE 26 -9.839 7.201 -5.487 196 HZ PHE 26 HZ PHE 26 -11.168 5.687 -6.937 197 H MET 27 H MET 27 -7.073 -0.020 -2.777 198 HA MET 27 HA MET 27 -6.110 0.303 -0.001 199 1HB MET 27 2HB MET 27 -7.134 -1.853 -0.838 200 2HB MET 27 1HB MET 27 -5.712 -2.052 -1.865 201 1HG MET 27 2HG MET 27 -4.255 -2.238 -0.001 202 2HG MET 27 1HG MET 27 -5.465 -1.597 1.110 203 1HE MET 27 1HE MET 27 -7.572 -2.975 2.013 204 2HE MET 27 2HE MET 27 -5.988 -2.986 2.784 205 3HE MET 27 3HE MET 27 -6.909 -4.483 2.656 206 H ILE 28 H ILE 28 -4.174 1.277 0.305 207 HA ILE 28 HA ILE 28 -2.157 1.161 -1.884 208 HB ILE 28 HB ILE 28 -1.909 2.862 0.587 209 1HG1 ILE 28 2HG1 ILE 28 -4.195 3.215 -0.322 210 2HG1 ILE 28 1HG1 ILE 28 -3.173 4.634 -0.557 211 1HG2 ILE 28 1HG2 ILE 28 -1.201 4.082 -1.922 212 2HG2 ILE 28 2HG2 ILE 28 -0.451 2.490 -1.819 213 3HG2 ILE 28 3HG2 ILE 28 -0.156 3.687 -0.558 214 1HD1 ILE 28 1HD1 ILE 28 -3.489 2.498 -2.673 215 2HD1 ILE 28 2HD1 ILE 28 -2.824 4.120 -2.862 216 3HD1 ILE 28 3HD1 ILE 28 -4.551 3.903 -2.582 217 H VAL 29 H VAL 29 -0.851 -0.610 -1.618 218 HA VAL 29 HA VAL 29 -0.017 -1.325 1.156 219 HB VAL 29 HB VAL 29 0.131 -2.902 -1.432 220 1HG1 VAL 29 1HG1 VAL 29 2.007 -3.465 0.031 221 2HG1 VAL 29 2HG1 VAL 29 0.825 -4.773 0.064 222 3HG1 VAL 29 3HG1 VAL 29 0.916 -3.633 1.407 223 1HG2 VAL 29 1HG2 VAL 29 -1.984 -3.484 -0.909 224 2HG2 VAL 29 2HG2 VAL 29 -1.917 -2.529 0.573 225 3HG2 VAL 29 3HG2 VAL 29 -1.374 -4.207 0.579 226 H GLU 30 H GLU 30 2.172 -1.358 1.704 227 HA GLU 30 HA GLU 30 4.122 -0.618 -0.425 228 1HB GLU 30 2HB GLU 30 3.607 1.484 0.638 229 2HB GLU 30 1HB GLU 30 3.744 0.766 2.244 230 1HG GLU 30 2HG GLU 30 6.151 0.258 1.745 231 2HG GLU 30 1HG GLU 30 5.979 1.151 0.234 232 H MET 31 H MET 31 5.231 -2.570 -0.388 233 HA MET 31 HA MET 31 6.049 -3.682 2.240 234 1HB MET 31 2HB MET 31 6.991 -5.536 0.705 235 2HB MET 31 1HB MET 31 5.236 -5.387 0.809 236 1HG MET 31 2HG MET 31 5.076 -4.347 -1.299 237 2HG MET 31 1HG MET 31 6.784 -3.911 -1.314 238 1HE MET 31 1HE MET 31 4.603 -7.398 -2.852 239 2HE MET 31 2HE MET 31 4.065 -6.092 -1.797 240 3HE MET 31 3HE MET 31 4.669 -7.591 -1.094 241 H LYS 32 H LYS 32 8.323 -4.155 2.642 242 HA LYS 32 HA LYS 32 10.105 -2.197 1.277 243 1HB LYS 32 2HB LYS 32 10.176 -3.561 3.966 244 2HB LYS 32 1HB LYS 32 11.623 -2.809 3.290 245 1HG LYS 32 2HG LYS 32 9.042 -1.270 3.366 246 2HG LYS 32 1HG LYS 32 10.036 -1.385 4.818 247 1HD LYS 32 2HD LYS 32 11.946 -0.440 3.650 248 2HD LYS 32 1HD LYS 32 11.060 -0.447 2.124 249 1HE LYS 32 2HE LYS 32 10.287 1.138 4.592 250 2HE LYS 32 1HE LYS 32 11.052 1.803 3.150 251 1HZ LYS 32 1HZ LYS 32 9.017 2.072 2.348 252 2HZ LYS 32 2HZ LYS 32 8.315 1.180 3.612 253 3HZ LYS 32 3HZ LYS 32 8.895 0.384 2.228 254 H LYS 33 H LYS 33 10.064 -5.599 2.382 255 HA LYS 33 HA LYS 33 11.831 -6.269 0.099 256 1HB LYS 33 2HB LYS 33 13.406 -5.870 1.911 257 2HB LYS 33 1HB LYS 33 12.473 -6.904 2.994 258 1HG LYS 33 2HG LYS 33 13.580 -8.713 2.248 259 2HG LYS 33 1HG LYS 33 13.043 -8.377 0.601 260 1HD LYS 33 2HD LYS 33 15.358 -8.250 0.357 261 2HD LYS 33 1HD LYS 33 14.951 -6.561 0.661 262 1HE LYS 33 2HE LYS 33 16.651 -6.842 2.208 263 2HE LYS 33 1HE LYS 33 15.263 -7.300 3.196 264 1HZ LYS 33 1HZ LYS 33 15.674 -9.607 2.675 265 2HZ LYS 33 2HZ LYS 33 17.074 -8.912 3.342 266 3HZ LYS 33 3HZ LYS 33 16.974 -9.188 1.668 267 H GLY 34 H GLY 34 10.076 -7.449 -0.780 268 1HA GLY 34 2HA GLY 34 8.510 -9.207 -0.946 269 2HA GLY 34 1HA GLY 34 9.841 -10.156 -0.280 270 H ASN 35 H ASN 35 8.378 -7.549 1.546 271 HA ASN 35 HA ASN 35 6.682 -9.417 3.076 272 1HB ASN 35 2HB ASN 35 9.327 -8.645 3.949 273 2HB ASN 35 1HB ASN 35 8.116 -8.008 5.062 274 1HD2 ASN 35 1HD2 ASN 35 10.072 -10.472 5.117 275 2HD2 ASN 35 2HD2 ASN 35 9.065 -11.739 5.629 276 H ILE 36 H ILE 36 4.808 -8.267 3.052 277 HA ILE 36 HA ILE 36 4.571 -5.469 2.706 278 HB ILE 36 HB ILE 36 2.650 -7.303 4.171 279 1HG1 ILE 36 2HG1 ILE 36 3.272 -8.135 1.915 280 2HG1 ILE 36 1HG1 ILE 36 1.594 -7.596 1.970 281 1HG2 ILE 36 1HG2 ILE 36 1.302 -5.334 2.684 282 2HG2 ILE 36 2HG2 ILE 36 2.618 -4.484 3.493 283 3HG2 ILE 36 3HG2 ILE 36 1.453 -5.412 4.439 284 1HD1 ILE 36 1HD1 ILE 36 3.760 -6.611 0.327 285 2HD1 ILE 36 2HD1 ILE 36 3.112 -5.308 1.323 286 3HD1 ILE 36 3HD1 ILE 36 2.043 -6.212 0.253 287 H GLU 37 H GLU 37 5.294 -3.906 4.055 288 HA GLU 37 HA GLU 37 5.213 -4.452 6.997 289 1HB GLU 37 2HB GLU 37 7.433 -3.869 5.497 290 2HB GLU 37 1HB GLU 37 6.949 -2.264 6.045 291 1HG GLU 37 2HG GLU 37 8.088 -2.799 7.938 292 2HG GLU 37 1HG GLU 37 6.649 -3.738 8.338 293 H SER 38 H SER 38 3.254 -3.149 4.971 294 HA SER 38 HA SER 38 2.218 -1.164 6.761 295 1HB SER 38 2HB SER 38 2.580 0.700 4.878 296 2HB SER 38 1HB SER 38 3.757 0.447 6.163 297 HG SER 38 HG SER 38 4.767 0.453 4.134 298 H SER 39 H SER 39 0.066 -1.123 6.333 299 HA SER 39 HA SER 39 -0.850 -1.405 3.521 300 1HB SER 39 2HB SER 39 -2.711 -2.923 4.795 301 2HB SER 39 1HB SER 39 -1.297 -3.595 3.988 302 HG SER 39 HG SER 39 -1.927 -3.768 6.528 303 H GLU 40 H GLU 40 -1.987 0.463 3.264 304 HA GLU 40 HA GLU 40 -3.890 1.222 5.444 305 1HB GLU 40 2HB GLU 40 -2.110 2.856 5.433 306 2HB GLU 40 1HB GLU 40 -2.201 3.014 3.679 307 1HG GLU 40 2HG GLU 40 -4.380 4.024 3.800 308 2HG GLU 40 1HG GLU 40 -4.518 3.654 5.519 309 H VAL 41 H VAL 41 -5.849 0.609 4.610 310 HA VAL 41 HA VAL 41 -6.397 1.096 1.731 311 HB VAL 41 HB VAL 41 -6.956 -1.128 2.713 312 1HG1 VAL 41 1HG1 VAL 41 -8.329 -1.383 4.537 313 2HG1 VAL 41 2HG1 VAL 41 -9.275 0.057 4.159 314 3HG1 VAL 41 3HG1 VAL 41 -7.694 0.215 4.925 315 1HG2 VAL 41 1HG2 VAL 41 -8.237 -0.161 0.787 316 2HG2 VAL 41 2HG2 VAL 41 -9.409 0.481 1.937 317 3HG2 VAL 41 3HG2 VAL 41 -9.200 -1.262 1.772 318 H ILE 42 H ILE 42 -7.509 2.902 1.151 319 HA ILE 42 HA ILE 42 -9.203 4.217 3.240 320 HB ILE 42 HB ILE 42 -8.635 6.335 1.798 321 1HG1 ILE 42 2HG1 ILE 42 -6.242 4.562 1.219 322 2HG1 ILE 42 1HG1 ILE 42 -7.487 4.958 0.034 323 1HG2 ILE 42 1HG2 ILE 42 -7.179 6.904 3.474 324 2HG2 ILE 42 2HG2 ILE 42 -6.230 5.429 3.291 325 3HG2 ILE 42 3HG2 ILE 42 -7.753 5.394 4.180 326 1HD1 ILE 42 1HD1 ILE 42 -6.104 6.705 -0.456 327 2HD1 ILE 42 2HD1 ILE 42 -5.310 6.647 1.118 328 3HD1 ILE 42 3HD1 ILE 42 -6.874 7.445 0.948 329 H GLU 43 H GLU 43 -11.028 5.484 2.329 330 HA GLU 43 HA GLU 43 -12.085 4.156 -0.124 331 1HB GLU 43 2HB GLU 43 -13.871 5.875 1.508 332 2HB GLU 43 1HB GLU 43 -14.184 4.301 0.782 333 1HG GLU 43 2HG GLU 43 -14.100 3.638 2.982 334 2HG GLU 43 1HG GLU 43 -12.375 3.551 2.625 335 H ASN 44 H ASN 44 -13.298 5.545 -1.651 336 HA ASN 44 HA ASN 44 -12.533 8.423 -1.539 337 1HB ASN 44 2HB ASN 44 -12.037 6.483 -3.806 338 2HB ASN 44 1HB ASN 44 -12.104 8.227 -4.064 339 1HD2 ASN 44 1HD2 ASN 44 -10.045 9.123 -4.050 340 2HD2 ASN 44 2HD2 ASN 44 -8.759 8.605 -3.070 341 HA PRO 45 HA PRO 45 -16.956 7.850 -2.612 342 1HB PRO 45 2HB PRO 45 -17.853 9.719 -0.806 343 2HB PRO 45 1HB PRO 45 -17.602 8.011 -0.405 344 1HG PRO 45 2HG PRO 45 -15.941 10.376 0.332 345 2HG PRO 45 1HG PRO 45 -16.114 8.824 1.166 346 1HD PRO 45 2HD PRO 45 -13.941 9.590 -0.481 347 2HD PRO 45 1HD PRO 45 -14.287 7.947 0.098 348 H SER 46 H SER 46 -14.635 10.262 -2.916 349 HA SER 46 HA SER 46 -16.274 12.503 -3.699 350 1HB SER 46 2HB SER 46 -13.514 12.021 -4.796 351 2HB SER 46 1HB SER 46 -14.274 13.544 -4.343 352 HG SER 46 HG SER 46 -12.649 12.504 -2.859 353 H ALA 47 H ALA 47 -15.431 9.550 -5.251 354 HA ALA 47 HA ALA 47 -15.397 10.215 -7.974 355 1HB ALA 47 1HB ALA 47 -16.414 7.831 -6.453 356 2HB ALA 47 2HB ALA 47 -15.046 7.944 -7.561 357 3HB ALA 47 3HB ALA 47 -16.693 7.934 -8.192 358 H SER 48 H SER 48 -18.286 9.470 -5.989 359 HA SER 48 HA SER 48 -19.969 10.639 -8.146 360 1HB SER 48 2HB SER 48 -20.750 8.495 -7.373 361 2HB SER 48 1HB SER 48 -20.633 8.995 -5.689 362 HG SER 48 HG SER 48 -22.356 10.066 -7.680 363 H ALA 49 H ALA 49 -18.475 12.553 -6.839 364 HA ALA 49 HA ALA 49 -20.596 14.162 -5.602 365 1HB ALA 49 1HB ALA 49 -18.482 14.535 -3.801 366 2HB ALA 49 2HB ALA 49 -18.594 12.787 -4.002 367 3HB ALA 49 3HB ALA 49 -20.002 13.705 -3.472 368 H SER 50 H SER 50 -17.011 14.197 -5.676 369 HA SER 50 HA SER 50 -16.590 16.906 -6.041 370 1HB SER 50 2HB SER 50 -15.159 14.533 -7.235 371 2HB SER 50 1HB SER 50 -14.610 16.180 -7.533 372 HG SER 50 HG SER 50 -14.549 16.435 -5.229 373 H GLY 51 H GLY 51 -17.116 14.561 -8.701 374 1HA GLY 51 2HA GLY 51 -18.796 15.298 -10.438 375 2HA GLY 51 1HA GLY 51 -18.013 16.876 -10.372 376 H GLY 52 H GLY 52 -18.300 14.700 -12.545 377 1HA GLY 52 2HA GLY 52 -16.603 14.912 -14.419 378 2HA GLY 52 1HA GLY 52 -15.385 14.521 -13.204 379 H ALA 53 H ALA 53 -14.667 12.503 -13.767 380 HA ALA 53 HA ALA 53 -16.737 10.422 -14.344 381 1HB ALA 53 1HB ALA 53 -14.130 9.478 -14.987 382 2HB ALA 53 2HB ALA 53 -14.272 11.106 -15.649 383 3HB ALA 53 3HB ALA 53 -15.442 9.866 -16.099 384 H GLY 54 H GLY 54 -13.924 11.239 -12.386 385 1HA GLY 54 2HA GLY 54 -13.872 10.356 -10.072 386 2HA GLY 54 1HA GLY 54 -14.532 8.845 -10.701 387 H ILE 55 H ILE 55 -12.789 8.821 -13.060 388 HA ILE 55 HA ILE 55 -10.495 7.515 -11.851 389 HB ILE 55 HB ILE 55 -10.806 8.296 -14.760 390 1HG1 ILE 55 2HG1 ILE 55 -11.876 5.830 -13.346 391 2HG1 ILE 55 1HG1 ILE 55 -12.867 7.167 -13.934 392 1HG2 ILE 55 1HG2 ILE 55 -9.707 5.701 -14.311 393 2HG2 ILE 55 2HG2 ILE 55 -8.871 6.826 -13.241 394 3HG2 ILE 55 3HG2 ILE 55 -8.901 7.121 -14.979 395 1HD1 ILE 55 1HD1 ILE 55 -12.258 4.935 -15.404 396 2HD1 ILE 55 2HD1 ILE 55 -11.011 6.061 -15.941 397 3HD1 ILE 55 3HD1 ILE 55 -12.714 6.491 -16.098 398 H ARG 56 H ARG 56 -11.205 10.744 -12.532 399 HA ARG 56 HA ARG 56 -8.606 11.668 -13.373 400 1HB ARG 56 2HB ARG 56 -11.149 12.811 -12.913 401 2HB ARG 56 1HB ARG 56 -10.039 13.646 -11.828 402 1HG ARG 56 2HG ARG 56 -9.391 14.878 -13.601 403 2HG ARG 56 1HG ARG 56 -8.624 13.420 -14.231 404 1HD ARG 56 2HD ARG 56 -10.915 12.813 -15.203 405 2HD ARG 56 1HD ARG 56 -11.393 14.470 -14.834 406 HE ARG 56 HE ARG 56 -10.297 15.015 -16.839 407 1HH1 ARG 56 2HH1 ARG 56 -7.642 14.777 -15.417 408 2HH1 ARG 56 1HH1 ARG 56 -6.794 13.670 -16.444 409 1HH2 ARG 56 1HH2 ARG 56 -9.653 12.583 -18.079 410 2HH2 ARG 56 2HH2 ARG 56 -7.932 12.427 -17.952 411 H THR 57 H THR 57 -9.960 10.765 -10.299 412 HA THR 57 HA THR 57 -8.202 12.246 -8.590 413 HB THR 57 HB THR 57 -10.265 11.036 -7.830 414 HG1 THR 57 HG1 THR 57 -7.996 10.046 -6.479 415 1HG2 THR 57 1HG2 THR 57 -10.479 8.776 -7.968 416 2HG2 THR 57 2HG2 THR 57 -8.789 8.494 -7.555 417 3HG2 THR 57 3HG2 THR 57 -9.234 8.915 -9.209 418 H ALA 58 H ALA 58 -7.599 9.643 -10.723 419 HA ALA 58 HA ALA 58 -5.577 8.182 -9.411 420 1HB ALA 58 1HB ALA 58 -6.283 7.400 -11.547 421 2HB ALA 58 2HB ALA 58 -4.610 7.914 -11.775 422 3HB ALA 58 3HB ALA 58 -5.932 8.951 -12.314 423 H GLN 59 H GLN 59 -5.281 11.203 -11.292 424 HA GLN 59 HA GLN 59 -2.497 11.542 -11.151 425 1HB GLN 59 2HB GLN 59 -3.783 13.098 -12.446 426 2HB GLN 59 1HB GLN 59 -4.736 13.577 -11.042 427 1HG GLN 59 2HG GLN 59 -3.205 15.117 -10.444 428 2HG GLN 59 1HG GLN 59 -1.907 13.925 -10.518 429 1HE2 GLN 59 1HE2 GLN 59 -4.034 15.586 -12.933 430 2HE2 GLN 59 2HE2 GLN 59 -2.765 15.966 -13.995 431 H ILE 60 H ILE 60 -4.957 12.198 -8.687 432 HA ILE 60 HA ILE 60 -3.083 13.439 -6.844 433 HB ILE 60 HB ILE 60 -5.823 12.223 -6.376 434 1HG1 ILE 60 2HG1 ILE 60 -5.414 15.142 -6.243 435 2HG1 ILE 60 1HG1 ILE 60 -5.167 14.452 -7.848 436 1HG2 ILE 60 1HG2 ILE 60 -5.798 13.245 -4.234 437 2HG2 ILE 60 2HG2 ILE 60 -4.375 14.212 -4.622 438 3HG2 ILE 60 3HG2 ILE 60 -4.218 12.473 -4.372 439 1HD1 ILE 60 1HD1 ILE 60 -7.428 13.146 -7.131 440 2HD1 ILE 60 2HD1 ILE 60 -7.438 14.689 -7.988 441 3HD1 ILE 60 3HD1 ILE 60 -7.653 14.651 -6.237 442 H ILE 61 H ILE 61 -4.275 10.164 -7.403 443 HA ILE 61 HA ILE 61 -3.318 8.972 -4.995 444 HB ILE 61 HB ILE 61 -3.565 7.771 -7.771 445 1HG1 ILE 61 2HG1 ILE 61 -5.455 7.796 -5.394 446 2HG1 ILE 61 1HG1 ILE 61 -5.679 8.690 -6.898 447 1HG2 ILE 61 1HG2 ILE 61 -3.260 6.507 -5.031 448 2HG2 ILE 61 2HG2 ILE 61 -2.136 6.383 -6.384 449 3HG2 ILE 61 3HG2 ILE 61 -3.723 5.619 -6.483 450 1HD1 ILE 61 1HD1 ILE 61 -5.544 6.434 -8.096 451 2HD1 ILE 61 2HD1 ILE 61 -6.992 6.708 -7.127 452 3HD1 ILE 61 3HD1 ILE 61 -5.694 5.692 -6.502 453 H ALA 62 H ALA 62 -1.714 9.700 -8.069 454 HA ALA 62 HA ALA 62 0.738 8.311 -7.426 455 1HB ALA 62 1HB ALA 62 0.498 10.678 -9.290 456 2HB ALA 62 2HB ALA 62 -0.072 9.072 -9.743 457 3HB ALA 62 3HB ALA 62 1.634 9.332 -9.379 458 H ASN 63 H ASN 63 -0.592 11.387 -6.529 459 HA ASN 63 HA ASN 63 1.948 12.646 -5.876 460 1HB ASN 63 2HB ASN 63 -0.910 13.307 -5.677 461 2HB ASN 63 1HB ASN 63 0.048 13.919 -4.328 462 1HD2 ASN 63 1HD2 ASN 63 -0.615 16.065 -5.525 463 2HD2 ASN 63 2HD2 ASN 63 0.455 16.613 -6.724 464 H ASN 64 H ASN 64 0.150 10.159 -4.461 465 HA ASN 64 HA ASN 64 0.957 10.784 -1.694 466 1HB ASN 64 2HB ASN 64 -1.241 9.724 -2.154 467 2HB ASN 64 1HB ASN 64 -0.409 8.324 -2.832 468 1HD2 ASN 64 1HD2 ASN 64 -0.393 6.661 -1.322 469 2HD2 ASN 64 2HD2 ASN 64 -0.148 6.856 0.346 470 H GLY 65 H GLY 65 2.108 8.966 -4.415 471 1HA GLY 65 2HA GLY 65 4.564 8.403 -4.249 472 2HA GLY 65 1HA GLY 65 4.199 7.740 -2.655 473 H VAL 66 H VAL 66 1.793 7.225 -5.053 474 HA VAL 66 HA VAL 66 2.364 4.329 -5.012 475 HB VAL 66 HB VAL 66 0.141 5.788 -6.465 476 1HG1 VAL 66 1HG1 VAL 66 -0.127 3.060 -5.298 477 2HG1 VAL 66 2HG1 VAL 66 0.891 3.216 -6.729 478 3HG1 VAL 66 3HG1 VAL 66 -0.800 3.715 -6.791 479 1HG2 VAL 66 1HG2 VAL 66 -0.598 4.487 -3.969 480 2HG2 VAL 66 2HG2 VAL 66 -0.917 6.139 -4.500 481 3HG2 VAL 66 3HG2 VAL 66 0.603 5.749 -3.696 482 H LYS 67 H LYS 67 4.279 4.221 -6.286 483 HA LYS 67 HA LYS 67 4.291 5.334 -8.989 484 1HB LYS 67 2HB LYS 67 6.243 4.393 -7.190 485 2HB LYS 67 1HB LYS 67 6.278 3.269 -8.550 486 1HG LYS 67 2HG LYS 67 6.456 5.182 -10.115 487 2HG LYS 67 1HG LYS 67 6.462 6.292 -8.743 488 1HD LYS 67 2HD LYS 67 8.478 4.922 -7.885 489 2HD LYS 67 1HD LYS 67 8.560 4.267 -9.521 490 1HE LYS 67 2HE LYS 67 10.033 6.227 -9.309 491 2HE LYS 67 1HE LYS 67 8.712 6.566 -10.427 492 1HZ LYS 67 1HZ LYS 67 8.291 7.189 -7.605 493 2HZ LYS 67 2HZ LYS 67 7.727 7.994 -8.991 494 3HZ LYS 67 3HZ LYS 67 9.333 8.202 -8.479 495 H ALA 68 H ALA 68 2.892 2.618 -7.554 496 HA ALA 68 HA ALA 68 2.701 1.322 -10.246 497 1HB ALA 68 1HB ALA 68 4.056 -0.252 -9.207 498 2HB ALA 68 2HB ALA 68 2.463 -0.854 -8.749 499 3HB ALA 68 3HB ALA 68 3.408 0.096 -7.604 500 H VAL 69 H VAL 69 0.598 1.538 -10.850 501 HA VAL 69 HA VAL 69 -1.484 1.339 -8.707 502 HB VAL 69 HB VAL 69 -1.598 2.693 -11.420 503 1HG1 VAL 69 1HG1 VAL 69 -3.837 2.589 -11.233 504 2HG1 VAL 69 2HG1 VAL 69 -3.739 3.432 -9.688 505 3HG1 VAL 69 3HG1 VAL 69 -3.679 1.670 -9.736 506 1HG2 VAL 69 1HG2 VAL 69 -2.137 4.582 -9.521 507 2HG2 VAL 69 2HG2 VAL 69 -0.534 4.303 -10.200 508 3HG2 VAL 69 3HG2 VAL 69 -0.980 3.568 -8.660 509 H ILE 70 H ILE 70 -2.699 -0.481 -8.756 510 HA ILE 70 HA ILE 70 -2.698 -2.111 -11.253 511 HB ILE 70 HB ILE 70 -3.474 -2.868 -8.418 512 1HG1 ILE 70 2HG1 ILE 70 -1.038 -3.706 -10.013 513 2HG1 ILE 70 1HG1 ILE 70 -1.020 -2.364 -8.868 514 1HG2 ILE 70 1HG2 ILE 70 -4.143 -4.071 -10.867 515 2HG2 ILE 70 2HG2 ILE 70 -4.263 -4.801 -9.266 516 3HG2 ILE 70 3HG2 ILE 70 -2.806 -5.031 -10.233 517 1HD1 ILE 70 1HD1 ILE 70 -0.347 -4.791 -8.073 518 2HD1 ILE 70 2HD1 ILE 70 -2.094 -5.018 -7.976 519 3HD1 ILE 70 3HD1 ILE 70 -1.315 -3.752 -7.025 520 H ALA 71 H ALA 71 -4.487 -1.821 -12.503 521 HA ALA 71 HA ALA 71 -7.138 -1.741 -11.185 522 1HB ALA 71 1HB ALA 71 -6.272 0.368 -13.183 523 2HB ALA 71 2HB ALA 71 -6.396 0.634 -11.444 524 3HB ALA 71 3HB ALA 71 -7.840 0.258 -12.385 525 H SER 72 H SER 72 -8.876 -1.663 -13.029 526 HA SER 72 HA SER 72 -7.941 -3.093 -15.461 527 1HB SER 72 2HB SER 72 -10.417 -4.165 -14.229 528 2HB SER 72 1HB SER 72 -9.128 -5.011 -15.079 529 HG SER 72 HG SER 72 -9.116 -5.507 -12.861 530 H SER 73 H SER 73 -8.605 -0.548 -15.708 531 HA SER 73 HA SER 73 -11.399 0.065 -15.912 532 1HB SER 73 2HB SER 73 -8.927 1.272 -17.159 533 2HB SER 73 1HB SER 73 -10.539 1.900 -17.494 534 HG SER 73 HG SER 73 -10.779 2.400 -15.361 535 HA PRO 74 HA PRO 74 -12.464 -1.870 -19.705 536 1HB PRO 74 2HB PRO 74 -14.505 -0.198 -20.481 537 2HB PRO 74 1HB PRO 74 -14.658 -1.389 -19.177 538 1HG PRO 74 2HG PRO 74 -14.383 1.575 -18.989 539 2HG PRO 74 1HG PRO 74 -15.143 0.444 -17.856 540 1HD PRO 74 2HD PRO 74 -12.577 1.607 -17.568 541 2HD PRO 74 1HD PRO 74 -13.213 0.235 -16.635 542 H GLY 75 H GLY 75 -11.422 1.442 -19.620 543 1HA GLY 75 2HA GLY 75 -10.756 1.263 -22.530 544 2HA GLY 75 1HA GLY 75 -11.390 2.757 -21.837 545 HA PRO 76 HA PRO 76 -6.704 2.428 -21.300 546 1HB PRO 76 2HB PRO 76 -5.884 3.784 -23.545 547 2HB PRO 76 1HB PRO 76 -6.063 2.022 -23.475 548 1HG PRO 76 2HG PRO 76 -7.817 4.034 -24.802 549 2HG PRO 76 1HG PRO 76 -7.582 2.321 -25.189 550 1HD PRO 76 2HD PRO 76 -9.783 3.428 -23.781 551 2HD PRO 76 1HD PRO 76 -9.382 1.702 -23.915 552 H ASN 77 H ASN 77 -9.118 4.600 -21.213 553 HA ASN 77 HA ASN 77 -7.880 7.156 -21.424 554 1HB ASN 77 2HB ASN 77 -10.109 6.332 -19.539 555 2HB ASN 77 1HB ASN 77 -9.740 7.974 -20.066 556 1HD2 ASN 77 1HD2 ASN 77 -9.327 7.657 -22.807 557 2HD2 ASN 77 2HD2 ASN 77 -10.738 7.069 -23.543 558 H ALA 78 H ALA 78 -8.472 5.193 -18.479 559 HA ALA 78 HA ALA 78 -7.070 6.862 -16.678 560 1HB ALA 78 1HB ALA 78 -6.937 4.932 -15.217 561 2HB ALA 78 2HB ALA 78 -7.171 3.834 -16.577 562 3HB ALA 78 3HB ALA 78 -8.490 4.880 -16.053 563 H PHE 79 H PHE 79 -5.839 4.003 -18.451 564 HA PHE 79 HA PHE 79 -3.164 4.130 -17.585 565 1HB PHE 79 2HB PHE 79 -4.086 3.411 -20.383 566 2HB PHE 79 1HB PHE 79 -2.598 2.885 -19.594 567 HD1 PHE 79 HD1 PHE 79 -4.911 1.130 -20.736 568 HD2 PHE 79 HD2 PHE 79 -3.978 2.576 -16.798 569 HE1 PHE 79 HE1 PHE 79 -6.114 -0.799 -19.743 570 HE2 PHE 79 HE2 PHE 79 -5.181 0.646 -15.805 571 HZ PHE 79 HZ PHE 79 -6.249 -1.041 -17.277 572 H GLU 80 H GLU 80 -4.854 6.110 -19.948 573 HA GLU 80 HA GLU 80 -2.504 7.274 -21.145 574 1HB GLU 80 2HB GLU 80 -5.184 7.366 -21.695 575 2HB GLU 80 1HB GLU 80 -4.919 8.966 -21.002 576 1HG GLU 80 2HG GLU 80 -2.747 8.765 -22.633 577 2HG GLU 80 1HG GLU 80 -3.927 7.825 -23.546 578 H VAL 81 H VAL 81 -4.606 8.267 -18.441 579 HA VAL 81 HA VAL 81 -3.269 10.756 -17.937 580 HB VAL 81 HB VAL 81 -4.739 8.972 -15.970 581 1HG1 VAL 81 1HG1 VAL 81 -4.644 10.696 -14.480 582 2HG1 VAL 81 2HG1 VAL 81 -4.791 11.922 -15.740 583 3HG1 VAL 81 3HG1 VAL 81 -3.227 11.173 -15.415 584 1HG2 VAL 81 1HG2 VAL 81 -5.674 11.067 -17.942 585 2HG2 VAL 81 2HG2 VAL 81 -6.633 10.614 -16.534 586 3HG2 VAL 81 3HG2 VAL 81 -6.248 9.409 -17.763 587 H LEU 82 H LEU 82 -2.953 7.577 -16.315 588 HA LEU 82 HA LEU 82 -0.801 8.318 -14.614 589 1HB LEU 82 2HB LEU 82 -1.663 5.665 -15.775 590 2HB LEU 82 1HB LEU 82 -0.292 5.801 -14.672 591 HG LEU 82 HG LEU 82 -3.018 6.929 -14.010 592 1HD1 LEU 82 1HD1 LEU 82 -3.781 4.867 -13.539 593 2HD1 LEU 82 2HD1 LEU 82 -2.372 4.552 -12.525 594 3HD1 LEU 82 3HD1 LEU 82 -2.317 4.189 -14.250 595 1HD2 LEU 82 1HD2 LEU 82 -2.008 7.614 -12.112 596 2HD2 LEU 82 2HD2 LEU 82 -0.468 7.162 -12.843 597 3HD2 LEU 82 3HD2 LEU 82 -1.336 6.008 -11.831 598 H ASN 83 H ASN 83 -0.862 7.445 -18.008 599 HA ASN 83 HA ASN 83 1.958 6.884 -18.253 600 1HB ASN 83 2HB ASN 83 -0.160 6.581 -19.923 601 2HB ASN 83 1HB ASN 83 0.545 8.055 -20.586 602 1HD2 ASN 83 1HD2 ASN 83 1.258 4.636 -19.852 603 2HD2 ASN 83 2HD2 ASN 83 2.602 4.525 -20.882 604 H GLU 84 H GLU 84 -0.004 9.817 -18.778 605 HA GLU 84 HA GLU 84 2.238 11.462 -19.542 606 1HB GLU 84 2HB GLU 84 -0.614 11.807 -19.046 607 2HB GLU 84 1HB GLU 84 0.326 13.158 -18.410 608 1HG GLU 84 2HG GLU 84 1.314 13.599 -20.541 609 2HG GLU 84 1HG GLU 84 0.732 12.072 -21.204 610 H LEU 85 H LEU 85 0.964 10.372 -16.502 611 HA LEU 85 HA LEU 85 2.202 12.441 -14.876 612 1HB LEU 85 2HB LEU 85 0.479 10.177 -14.463 613 2HB LEU 85 1HB LEU 85 1.842 10.071 -13.350 614 HG LEU 85 HG LEU 85 1.131 12.771 -13.306 615 1HD1 LEU 85 1HD1 LEU 85 -1.391 11.163 -12.922 616 2HD1 LEU 85 2HD1 LEU 85 -0.997 11.864 -14.491 617 3HD1 LEU 85 3HD1 LEU 85 -1.214 12.909 -13.087 618 1HD2 LEU 85 1HD2 LEU 85 0.256 10.570 -11.409 619 2HD2 LEU 85 2HD2 LEU 85 0.458 12.276 -11.012 620 3HD2 LEU 85 3HD2 LEU 85 1.863 11.294 -11.423 621 H GLY 86 H GLY 86 3.124 9.221 -16.011 622 1HA GLY 86 2HA GLY 86 5.472 8.665 -16.373 623 2HA GLY 86 1HA GLY 86 5.899 9.798 -15.090 624 H ILE 87 H ILE 87 3.210 7.632 -14.638 625 HA ILE 87 HA ILE 87 4.817 6.202 -12.570 626 HB ILE 87 HB ILE 87 1.802 6.287 -12.850 627 1HG1 ILE 87 2HG1 ILE 87 2.766 8.567 -12.537 628 2HG1 ILE 87 1HG1 ILE 87 1.840 8.035 -11.132 629 1HG2 ILE 87 1HG2 ILE 87 2.179 4.556 -11.383 630 2HG2 ILE 87 2HG2 ILE 87 2.309 5.891 -10.238 631 3HG2 ILE 87 3HG2 ILE 87 3.767 5.163 -10.913 632 1HD1 ILE 87 1HD1 ILE 87 4.211 7.102 -10.363 633 2HD1 ILE 87 2HD1 ILE 87 3.757 8.782 -10.074 634 3HD1 ILE 87 3HD1 ILE 87 4.795 8.371 -11.439 635 H LYS 88 H LYS 88 4.058 3.850 -12.247 636 HA LYS 88 HA LYS 88 4.043 2.550 -14.910 637 1HB LYS 88 2HB LYS 88 4.639 1.610 -12.106 638 2HB LYS 88 1HB LYS 88 4.373 0.456 -13.415 639 1HG LYS 88 2HG LYS 88 6.427 0.831 -14.262 640 2HG LYS 88 1HG LYS 88 6.179 2.578 -14.241 641 1HD LYS 88 2HD LYS 88 6.889 2.742 -11.959 642 2HD LYS 88 1HD LYS 88 6.849 0.990 -11.754 643 1HE LYS 88 2HE LYS 88 8.860 0.687 -12.799 644 2HE LYS 88 1HE LYS 88 8.574 1.992 -13.950 645 1HZ LYS 88 1HZ LYS 88 8.790 2.982 -11.293 646 2HZ LYS 88 2HZ LYS 88 9.682 3.406 -12.675 647 3HZ LYS 88 3HZ LYS 88 10.170 2.091 -11.718 648 H ILE 89 H ILE 89 2.289 1.419 -15.674 649 HA ILE 89 HA ILE 89 -0.113 1.332 -13.903 650 HB ILE 89 HB ILE 89 0.120 1.240 -16.926 651 1HG1 ILE 89 2HG1 ILE 89 -1.479 3.358 -15.718 652 2HG1 ILE 89 1HG1 ILE 89 0.190 3.403 -15.151 653 1HG2 ILE 89 1HG2 ILE 89 -1.774 -0.101 -15.805 654 2HG2 ILE 89 2HG2 ILE 89 -2.249 1.094 -17.012 655 3HG2 ILE 89 3HG2 ILE 89 -2.413 1.461 -15.295 656 1HD1 ILE 89 1HD1 ILE 89 0.969 4.073 -17.168 657 2HD1 ILE 89 2HD1 ILE 89 -0.712 4.445 -17.552 658 3HD1 ILE 89 3HD1 ILE 89 -0.021 2.895 -18.030 659 H TYR 90 H TYR 90 -1.183 -0.625 -13.587 660 HA TYR 90 HA TYR 90 0.020 -3.038 -14.874 661 1HB TYR 90 2HB TYR 90 -0.827 -2.809 -11.970 662 2HB TYR 90 1HB TYR 90 -0.131 -4.231 -12.747 663 HD1 TYR 90 HD1 TYR 90 0.614 -0.572 -12.319 664 HD2 TYR 90 HD2 TYR 90 2.159 -4.576 -12.527 665 HE1 TYR 90 HE1 TYR 90 2.895 0.284 -11.850 666 HE2 TYR 90 HE2 TYR 90 4.440 -3.721 -12.059 667 HH TYR 90 HH TYR 90 5.296 -1.393 -10.750 668 H ARG 91 H ARG 91 -1.472 -4.750 -15.251 669 HA ARG 91 HA ARG 91 -4.329 -3.905 -15.087 670 1HB ARG 91 2HB ARG 91 -2.997 -4.713 -17.276 671 2HB ARG 91 1HB ARG 91 -3.503 -6.292 -16.672 672 1HG ARG 91 2HG ARG 91 -5.836 -5.030 -16.390 673 2HG ARG 91 1HG ARG 91 -5.168 -4.025 -17.679 674 1HD ARG 91 2HD ARG 91 -4.570 -6.371 -18.754 675 2HD ARG 91 1HD ARG 91 -5.884 -6.934 -17.722 676 HE ARG 91 HE ARG 91 -7.207 -4.991 -18.888 677 1HH1 ARG 91 1HH2 ARG 91 -4.882 -4.463 -20.770 678 2HH1 ARG 91 2HH2 ARG 91 -5.364 -5.364 -22.168 679 1HH2 ARG 91 2HH1 ARG 91 -7.761 -7.212 -20.478 680 2HH2 ARG 91 1HH1 ARG 91 -6.993 -6.921 -22.002 681 H ALA 92 H ALA 92 -5.661 -4.989 -13.701 682 HA ALA 92 HA ALA 92 -4.583 -7.480 -12.451 683 1HB ALA 92 1HB ALA 92 -5.870 -5.128 -11.379 684 2HB ALA 92 2HB ALA 92 -5.126 -6.472 -10.513 685 3HB ALA 92 3HB ALA 92 -6.821 -6.561 -10.992 686 H THR 93 H THR 93 -5.494 -9.301 -13.252 687 HA THR 93 HA THR 93 -8.429 -9.364 -13.665 688 HB THR 93 HB THR 93 -6.593 -10.490 -15.780 689 HG1 THR 93 HG1 THR 93 -7.919 -8.006 -15.950 690 1HG2 THR 93 1HG2 THR 93 -8.532 -11.183 -16.677 691 2HG2 THR 93 2HG2 THR 93 -9.152 -9.533 -16.668 692 3HG2 THR 93 3HG2 THR 93 -9.380 -10.569 -15.259 693 H GLY 94 H GLY 94 -6.243 -10.552 -11.864 694 1HA GLY 94 2HA GLY 94 -6.115 -13.372 -12.467 695 2HA GLY 94 1HA GLY 94 -5.734 -12.638 -10.909 696 H THR 95 H THR 95 -7.135 -13.060 -9.270 697 HA THR 95 HA THR 95 -9.979 -13.614 -9.931 698 HB THR 95 HB THR 95 -9.074 -15.829 -9.849 699 HG1 THR 95 HG1 THR 95 -9.865 -16.442 -7.608 700 1HG2 THR 95 1HG2 THR 95 -7.529 -16.602 -8.212 701 2HG2 THR 95 2HG2 THR 95 -7.803 -15.197 -7.183 702 3HG2 THR 95 3HG2 THR 95 -6.931 -15.018 -8.705 703 H SER 96 H SER 96 -7.536 -13.059 -7.402 704 HA SER 96 HA SER 96 -9.562 -11.437 -5.954 705 1HB SER 96 2HB SER 96 -8.141 -13.861 -4.917 706 2HB SER 96 1HB SER 96 -8.459 -12.531 -3.809 707 HG SER 96 HG SER 96 -10.687 -12.669 -4.694 708 H VAL 97 H VAL 97 -8.679 -9.543 -5.257 709 HA VAL 97 HA VAL 97 -6.057 -8.742 -5.951 710 HB VAL 97 HB VAL 97 -8.056 -7.691 -3.943 711 1HG1 VAL 97 1HG1 VAL 97 -5.200 -6.908 -4.366 712 2HG1 VAL 97 2HG1 VAL 97 -6.165 -6.872 -2.890 713 3HG1 VAL 97 3HG1 VAL 97 -6.382 -5.623 -4.118 714 1HG2 VAL 97 1HG2 VAL 97 -6.962 -6.693 -6.592 715 2HG2 VAL 97 2HG2 VAL 97 -8.112 -5.809 -5.589 716 3HG2 VAL 97 3HG2 VAL 97 -8.572 -7.353 -6.308 717 H GLU 98 H GLU 98 -7.170 -10.647 -3.293 718 HA GLU 98 HA GLU 98 -5.130 -10.114 -1.379 719 1HB GLU 98 2HB GLU 98 -7.303 -11.748 -1.430 720 2HB GLU 98 1HB GLU 98 -6.013 -12.930 -1.651 721 1HG GLU 98 2HG GLU 98 -5.213 -11.056 0.371 722 2HG GLU 98 1HG GLU 98 -6.817 -11.674 0.768 723 H GLU 99 H GLU 99 -5.276 -12.928 -3.594 724 HA GLU 99 HA GLU 99 -2.490 -13.558 -3.247 725 1HB GLU 99 2HB GLU 99 -4.226 -14.307 -5.614 726 2HB GLU 99 1HB GLU 99 -2.819 -15.174 -4.995 727 1HG GLU 99 2HG GLU 99 -3.995 -16.134 -3.286 728 2HG GLU 99 1HG GLU 99 -5.001 -14.707 -3.042 729 H ASN 100 H ASN 100 -4.212 -11.352 -5.320 730 HA ASN 100 HA ASN 100 -2.180 -11.062 -7.343 731 1HB ASN 100 2HB ASN 100 -4.600 -10.283 -7.498 732 2HB ASN 100 1HB ASN 100 -4.141 -8.932 -6.461 733 1HD2 ASN 100 1HD2 ASN 100 -4.086 -10.113 -9.719 734 2HD2 ASN 100 2HD2 ASN 100 -3.170 -8.848 -10.386 735 H LEU 101 H LEU 101 -2.639 -9.687 -4.143 736 HA LEU 101 HA LEU 101 -0.830 -7.485 -4.388 737 1HB LEU 101 2HB LEU 101 -2.257 -7.568 -2.458 738 2HB LEU 101 1HB LEU 101 -1.659 -9.167 -2.010 739 HG LEU 101 HG LEU 101 0.609 -8.189 -1.673 740 1HD1 LEU 101 1HD1 LEU 101 -0.278 -5.431 -1.480 741 2HD1 LEU 101 2HD1 LEU 101 -0.490 -6.048 -3.119 742 3HD1 LEU 101 3HD1 LEU 101 1.099 -6.098 -2.356 743 1HD2 LEU 101 1HD2 LEU 101 -1.783 -7.675 -0.096 744 2HD2 LEU 101 2HD2 LEU 101 -0.561 -6.431 0.172 745 3HD2 LEU 101 3HD2 LEU 101 -0.167 -8.128 0.447 746 H LYS 102 H LYS 102 -0.171 -10.538 -2.636 747 HA LYS 102 HA LYS 102 2.656 -10.221 -2.663 748 1HB LYS 102 2HB LYS 102 0.984 -11.986 -1.476 749 2HB LYS 102 1HB LYS 102 1.587 -12.992 -2.794 750 1HG LYS 102 2HG LYS 102 3.818 -12.825 -2.071 751 2HG LYS 102 1HG LYS 102 3.493 -11.385 -1.104 752 1HD LYS 102 2HD LYS 102 2.049 -12.792 0.394 753 2HD LYS 102 1HD LYS 102 2.573 -14.212 -0.513 754 1HE LYS 102 2HE LYS 102 4.164 -14.246 1.155 755 2HE LYS 102 1HE LYS 102 4.986 -13.184 0.012 756 1HZ LYS 102 1HZ LYS 102 3.543 -11.402 1.306 757 2HZ LYS 102 2HZ LYS 102 5.087 -11.876 1.833 758 3HZ LYS 102 3HZ LYS 102 3.700 -12.546 2.548 759 H LEU 103 H LEU 103 0.443 -11.238 -5.124 760 HA LEU 103 HA LEU 103 2.305 -12.727 -6.745 761 1HB LEU 103 2HB LEU 103 -0.413 -11.611 -7.042 762 2HB LEU 103 1HB LEU 103 0.506 -11.711 -8.544 763 HG LEU 103 HG LEU 103 0.494 -14.063 -6.681 764 1HD1 LEU 103 1HD1 LEU 103 -1.491 -14.560 -8.590 765 2HD1 LEU 103 2HD1 LEU 103 -1.842 -12.933 -8.005 766 3HD1 LEU 103 3HD1 LEU 103 -1.746 -14.278 -6.868 767 1HD2 LEU 103 1HD2 LEU 103 1.785 -13.596 -9.000 768 2HD2 LEU 103 2HD2 LEU 103 0.277 -14.238 -9.649 769 3HD2 LEU 103 3HD2 LEU 103 1.241 -15.207 -8.534 770 H PHE 104 H PHE 104 1.470 -9.294 -6.495 771 HA PHE 104 HA PHE 104 2.701 -8.328 -8.839 772 1HB PHE 104 2HB PHE 104 1.426 -6.862 -7.357 773 2HB PHE 104 1HB PHE 104 2.610 -7.087 -6.069 774 HD1 PHE 104 HD1 PHE 104 1.680 -5.101 -8.883 775 HD2 PHE 104 HD2 PHE 104 5.078 -6.446 -6.621 776 HE1 PHE 104 HE1 PHE 104 3.025 -3.225 -9.791 777 HE2 PHE 104 HE2 PHE 104 6.425 -4.569 -7.531 778 HZ PHE 104 HZ PHE 104 5.397 -2.959 -9.113 779 H THR 105 H THR 105 4.125 -9.471 -5.834 780 HA THR 105 HA THR 105 6.765 -8.431 -6.230 781 HB THR 105 HB THR 105 5.793 -10.899 -4.762 782 HG1 THR 105 HG1 THR 105 5.127 -8.819 -4.000 783 1HG2 THR 105 1HG2 THR 105 8.235 -10.931 -5.506 784 2HG2 THR 105 2HG2 THR 105 7.956 -11.073 -3.770 785 3HG2 THR 105 3HG2 THR 105 8.471 -9.533 -4.458 786 H GLU 106 H GLU 106 5.192 -11.438 -7.281 787 HA GLU 106 HA GLU 106 7.649 -12.401 -8.568 788 1HB GLU 106 2HB GLU 106 4.830 -13.459 -8.908 789 2HB GLU 106 1HB GLU 106 6.342 -14.317 -9.213 790 1HG GLU 106 2HG GLU 106 6.319 -15.041 -7.084 791 2HG GLU 106 1HG GLU 106 6.477 -13.368 -6.546 792 H GLY 107 H GLY 107 5.154 -10.239 -9.357 793 1HA GLY 107 2HA GLY 107 4.688 -9.084 -11.346 794 2HA GLY 107 1HA GLY 107 6.207 -9.724 -11.976 795 H ASN 108 H ASN 108 3.386 -11.572 -10.849 796 HA ASN 108 HA ASN 108 3.434 -13.136 -13.324 797 1HB ASN 108 2HB ASN 108 2.577 -13.593 -10.699 798 2HB ASN 108 1HB ASN 108 1.089 -13.544 -11.646 799 1HD2 ASN 108 1HD2 ASN 108 1.339 -14.851 -13.857 800 2HD2 ASN 108 2HD2 ASN 108 2.106 -16.359 -13.721 801 H LEU 109 H LEU 109 1.939 -10.258 -12.288 802 HA LEU 109 HA LEU 109 0.313 -10.203 -14.747 803 1HB LEU 109 2HB LEU 109 -0.818 -10.588 -12.060 804 2HB LEU 109 1HB LEU 109 -1.521 -9.226 -12.933 805 HG LEU 109 HG LEU 109 -1.191 -11.500 -14.698 806 1HD1 LEU 109 1HD1 LEU 109 -1.694 -12.334 -12.120 807 2HD1 LEU 109 2HD1 LEU 109 -2.163 -13.217 -13.573 808 3HD1 LEU 109 3HD1 LEU 109 -3.322 -12.154 -12.775 809 1HD2 LEU 109 1HD2 LEU 109 -3.465 -10.990 -15.245 810 2HD2 LEU 109 2HD2 LEU 109 -2.703 -9.442 -14.877 811 3HD2 LEU 109 3HD2 LEU 109 -3.741 -10.221 -13.682 812 H GLU 110 H GLU 110 1.056 -8.307 -15.589 813 HA GLU 110 HA GLU 110 0.951 -5.894 -13.852 814 1HB GLU 110 2HB GLU 110 3.278 -6.343 -15.716 815 2HB GLU 110 1HB GLU 110 3.145 -5.201 -14.380 816 1HG GLU 110 2HG GLU 110 2.779 -7.503 -13.022 817 2HG GLU 110 1HG GLU 110 3.796 -8.101 -14.334 818 H GLU 111 H GLU 111 2.281 -4.352 -16.023 819 HA GLU 111 HA GLU 111 0.742 -4.643 -18.442 820 1HB GLU 111 2HB GLU 111 -1.038 -3.854 -16.882 821 2HB GLU 111 1HB GLU 111 -0.095 -2.393 -16.610 822 1HG GLU 111 2HG GLU 111 -1.145 -1.513 -18.400 823 2HG GLU 111 1HG GLU 111 -0.199 -2.625 -19.389 824 H ILE 112 H ILE 112 0.950 -1.395 -17.782 825 HA ILE 112 HA ILE 112 3.387 -1.178 -19.422 826 HB ILE 112 HB ILE 112 1.514 0.940 -18.323 827 1HG1 ILE 112 2HG1 ILE 112 1.757 0.500 -21.227 828 2HG1 ILE 112 1HG1 ILE 112 1.077 -0.871 -20.350 829 1HG2 ILE 112 1HG2 ILE 112 2.784 2.192 -20.305 830 2HG2 ILE 112 2HG2 ILE 112 4.063 1.055 -19.882 831 3HG2 ILE 112 3HG2 ILE 112 3.441 2.174 -18.668 832 1HD1 ILE 112 1HD1 ILE 112 -0.495 0.774 -19.221 833 2HD1 ILE 112 2HD1 ILE 112 -0.770 0.540 -20.947 834 3HD1 ILE 112 3HD1 ILE 112 0.068 1.982 -20.374 835 H ARG 113 H ARG 113 5.291 -0.080 -18.710 836 HA ARG 113 HA ARG 113 5.513 0.113 -15.734 837 1HB ARG 113 2HB ARG 113 7.271 -1.028 -17.818 838 2HB ARG 113 1HB ARG 113 8.098 -0.050 -16.604 839 1HG ARG 113 2HG ARG 113 6.078 -1.894 -15.503 840 2HG ARG 113 1HG ARG 113 7.447 -2.693 -16.277 841 1HD ARG 113 2HD ARG 113 8.257 -0.432 -14.601 842 2HD ARG 113 1HD ARG 113 7.424 -1.693 -13.691 843 HE ARG 113 HE ARG 113 9.129 -3.292 -14.704 844 1HH1 ARG 113 1HH2 ARG 113 10.187 -1.154 -12.690 845 2HH1 ARG 113 2HH2 ARG 113 11.687 -0.746 -13.456 846 1HH2 ARG 113 2HH1 ARG 113 10.854 -2.231 -16.477 847 2HH2 ARG 113 1HH1 ARG 113 12.063 -1.355 -15.600 848 H SER 114 H SER 114 7.992 1.273 -17.916 849 HA SER 114 HA SER 114 7.198 4.076 -17.232 850 1HB SER 114 2HB SER 114 9.490 2.715 -16.361 851 2HB SER 114 1HB SER 114 10.052 3.743 -17.676 852 HG SER 114 HG SER 114 8.658 4.473 -15.320 853 HA PRO 115 HA PRO 115 7.714 5.010 -21.489 854 1HB PRO 115 2HB PRO 115 8.715 7.567 -21.348 855 2HB PRO 115 1HB PRO 115 7.029 7.156 -20.992 856 1HG PRO 115 2HG PRO 115 9.232 7.847 -19.102 857 2HG PRO 115 1HG PRO 115 7.484 8.054 -18.911 858 1HD PRO 115 2HD PRO 115 9.042 5.996 -17.754 859 2HD PRO 115 1HD PRO 115 7.268 6.028 -17.857 860 H GLY 116 H GLY 116 9.396 3.645 -22.259 861 1HA GLY 116 2HA GLY 116 12.204 4.450 -21.783 862 2HA GLY 116 1HA GLY 116 11.678 2.966 -22.579 863 H SER 117 H SER 117 10.096 3.782 -24.605 864 HA SER 117 HA SER 117 11.741 5.764 -26.124 865 1HB SER 117 2HB SER 117 11.488 4.374 -28.128 866 2HB SER 117 1HB SER 117 12.254 3.443 -26.845 867 HG SER 117 HG SER 117 10.313 2.577 -28.110 868 H GLY 118 H GLY 118 9.084 5.868 -24.653 869 1HA GLY 118 2HA GLY 118 7.370 6.635 -26.982 870 2HA GLY 118 1HA GLY 118 6.725 6.101 -25.428 871 H ARG 119 H ARG 119 5.635 8.370 -25.985 872 HA ARG 119 HA ARG 119 7.093 10.783 -25.619 873 1HB ARG 119 2HB ARG 119 4.961 11.827 -25.181 874 2HB ARG 119 1HB ARG 119 4.695 10.580 -26.400 875 1HG ARG 119 2HG ARG 119 4.050 9.008 -24.534 876 2HG ARG 119 1HG ARG 119 4.116 10.385 -23.434 877 1HD ARG 119 2HD ARG 119 1.816 10.088 -24.164 878 2HD ARG 119 1HD ARG 119 2.453 11.563 -24.890 879 HE ARG 119 HE ARG 119 2.502 9.031 -26.460 880 1HH1 ARG 119 1HH2 ARG 119 0.166 11.240 -25.851 881 2HH1 ARG 119 2HH2 ARG 119 0.062 11.895 -27.451 882 1HH2 ARG 119 2HH1 ARG 119 2.937 10.312 -28.570 883 2HH2 ARG 119 1HH1 ARG 119 1.631 11.370 -28.990 884 H GLY 120 H GLY 120 6.207 12.181 -23.498 885 1HA GLY 120 2HA GLY 120 5.859 11.871 -21.029 886 2HA GLY 120 1HA GLY 120 7.008 10.536 -21.128 887 H ARG 121 H ARG 121 9.214 10.996 -21.125 888 HA ARG 121 HA ARG 121 10.299 13.615 -21.634 889 1HB ARG 121 2HB ARG 121 9.087 13.445 -19.160 890 2HB ARG 121 1HB ARG 121 10.767 13.058 -18.785 891 1HG ARG 121 2HG ARG 121 11.548 15.130 -19.500 892 2HG ARG 121 1HG ARG 121 10.179 15.387 -20.581 893 1HD ARG 121 2HD ARG 121 9.243 15.132 -17.861 894 2HD ARG 121 1HD ARG 121 10.487 16.379 -17.954 895 HE ARG 121 HE ARG 121 8.577 16.672 -20.101 896 1HH1 ARG 121 2HH1 ARG 121 6.854 16.391 -17.639 897 2HH1 ARG 121 1HH1 ARG 121 6.733 18.035 -17.106 898 1HH2 ARG 121 1HH2 ARG 121 9.399 19.136 -19.031 899 2HH2 ARG 121 2HH2 ARG 121 8.173 19.589 -17.894 900 H ARG 122 H ARG 122 12.651 13.623 -21.330 901 HA ARG 122 HA ARG 122 13.745 10.865 -21.410 902 1HB ARG 122 2HB ARG 122 14.235 13.021 -23.006 903 2HB ARG 122 1HB ARG 122 15.554 13.168 -21.845 904 1HG ARG 122 2HG ARG 122 16.632 11.376 -22.699 905 2HG ARG 122 1HG ARG 122 15.158 10.408 -22.712 906 1HD ARG 122 2HD ARG 122 14.562 11.095 -24.859 907 2HD ARG 122 1HD ARG 122 15.498 12.585 -24.750 908 HE ARG 122 HE ARG 122 17.401 10.556 -24.635 909 1HH1 ARG 122 1HH2 ARG 122 15.265 12.088 -26.818 910 2HH1 ARG 122 2HH2 ARG 122 15.846 11.239 -28.212 911 1HH2 ARG 122 2HH1 ARG 122 17.989 9.198 -26.408 912 2HH2 ARG 122 1HH1 ARG 122 17.387 9.605 -27.980 913 H ARG 123 H ARG 123 16.446 11.934 -20.675 914 HA ARG 123 HA ARG 123 16.172 11.555 -17.783 915 1HB ARG 123 2HB ARG 123 18.540 11.980 -19.620 916 2HB ARG 123 1HB ARG 123 18.708 11.865 -17.867 917 1HG ARG 123 2HG ARG 123 17.859 9.637 -17.831 918 2HG ARG 123 1HG ARG 123 17.276 9.757 -19.492 919 1HD ARG 123 2HD ARG 123 20.162 9.696 -18.572 920 2HD ARG 123 1HD ARG 123 19.325 8.473 -19.527 921 HE ARG 123 HE ARG 123 19.083 10.465 -21.236 922 1HH1 ARG 123 2HH1 ARG 123 21.779 8.926 -20.002 923 2HH1 ARG 123 1HH1 ARG 123 22.934 10.074 -20.592 924 1HH2 ARG 123 1HH2 ARG 123 20.535 12.361 -21.610 925 2HH2 ARG 123 2HH2 ARG 123 22.229 12.018 -21.503 926 H ARG 124 HN ARG 124 16.747 13.122 -16.194 927 HA ARG 124 HA ARG 124 16.910 15.926 -17.228 928 1HB ARG 124 2HB ARG 124 15.395 14.814 -14.854 929 2HB ARG 124 1HB ARG 124 15.715 16.536 -15.061 930 1HG ARG 124 2HG ARG 124 14.649 16.346 -17.358 931 2HG ARG 124 1HG ARG 124 14.127 14.726 -16.894 932 1HD ARG 124 2HD ARG 124 13.230 17.380 -15.841 933 2HD ARG 124 1HD ARG 124 12.273 15.953 -16.237 934 HE ARG 124 HE ARG 124 13.630 15.023 -14.105 935 1HH1 ARG 124 1HH2 ARG 124 10.872 16.616 -14.199 936 2HH1 ARG 124 2HH2 ARG 124 11.068 17.563 -12.762 937 1HH2 ARG 124 1HH1 ARG 124 14.454 16.874 -12.453 938 2HH2 ARG 124 2HH1 ARG 124 13.097 17.710 -11.774 Start of MODEL 13 1 1H MET 1 1H MET 1 8.765 1.255 -3.352 2 2H MET 1 2H MET 1 8.216 2.600 -4.234 3 3H MET 1 3H MET 1 9.609 1.764 -4.732 4 HA MET 1 HA MET 1 7.562 1.281 -6.061 5 1HB MET 1 2HB MET 1 9.554 -0.492 -4.951 6 2HB MET 1 1HB MET 1 8.040 -1.367 -5.188 7 1HG MET 1 2HG MET 1 7.935 -0.557 -7.519 8 2HG MET 1 1HG MET 1 9.455 0.308 -7.284 9 1HE MET 1 1HE MET 1 8.649 -4.149 -7.650 10 2HE MET 1 2HE MET 1 7.521 -2.807 -7.482 11 3HE MET 1 3HE MET 1 8.349 -3.435 -6.060 12 H LYS 2 H LYS 2 5.764 2.194 -4.672 13 HA LYS 2 HA LYS 2 4.561 0.262 -2.783 14 1HB LYS 2 2HB LYS 2 3.702 3.045 -3.636 15 2HB LYS 2 1HB LYS 2 2.895 2.075 -2.403 16 1HG LYS 2 2HG LYS 2 4.365 2.810 -0.869 17 2HG LYS 2 1HG LYS 2 5.682 2.092 -1.799 18 1HD LYS 2 2HD LYS 2 5.148 4.342 -3.269 19 2HD LYS 2 1HD LYS 2 4.819 4.908 -1.630 20 1HE LYS 2 2HE LYS 2 7.064 3.838 -0.985 21 2HE LYS 2 1HE LYS 2 7.380 3.728 -2.716 22 1HZ LYS 2 1HZ LYS 2 8.288 5.761 -2.044 23 2HZ LYS 2 2HZ LYS 2 6.942 6.157 -1.086 24 3HZ LYS 2 3HZ LYS 2 6.818 6.177 -2.779 25 H ILE 3 H ILE 3 2.634 -0.832 -3.191 26 HA ILE 3 HA ILE 3 1.575 -0.575 -5.978 27 HB ILE 3 HB ILE 3 1.506 -3.061 -4.249 28 1HG1 ILE 3 2HG1 ILE 3 3.311 -2.939 -6.593 29 2HG1 ILE 3 1HG1 ILE 3 3.807 -1.957 -5.214 30 1HG2 ILE 3 1HG2 ILE 3 1.204 -2.717 -7.244 31 2HG2 ILE 3 2HG2 ILE 3 -0.161 -2.777 -6.129 32 3HG2 ILE 3 3HG2 ILE 3 0.900 -4.175 -6.300 33 1HD1 ILE 3 1HD1 ILE 3 3.076 -4.895 -5.066 34 2HD1 ILE 3 2HD1 ILE 3 3.671 -3.901 -3.737 35 3HD1 ILE 3 3HD1 ILE 3 4.725 -4.270 -5.102 36 H ALA 4 H ALA 4 -0.407 0.344 -5.941 37 HA ALA 4 HA ALA 4 -2.189 -0.244 -3.611 38 1HB ALA 4 1HB ALA 4 -1.654 2.127 -3.722 39 2HB ALA 4 2HB ALA 4 -3.331 1.907 -4.222 40 3HB ALA 4 3HB ALA 4 -2.078 2.179 -5.433 41 H ILE 5 H ILE 5 -3.834 -1.592 -4.153 42 HA ILE 5 HA ILE 5 -4.603 -1.797 -7.021 43 HB ILE 5 HB ILE 5 -5.524 -3.611 -4.788 44 1HG1 ILE 5 2HG1 ILE 5 -3.125 -4.179 -6.524 45 2HG1 ILE 5 1HG1 ILE 5 -2.943 -3.298 -5.007 46 1HG2 ILE 5 1HG2 ILE 5 -6.496 -4.746 -6.472 47 2HG2 ILE 5 2HG2 ILE 5 -4.972 -4.814 -7.359 48 3HG2 ILE 5 3HG2 ILE 5 -6.046 -3.429 -7.558 49 1HD1 ILE 5 1HD1 ILE 5 -4.130 -5.175 -3.841 50 2HD1 ILE 5 2HD1 ILE 5 -2.599 -5.661 -4.567 51 3HD1 ILE 5 3HD1 ILE 5 -4.120 -6.069 -5.361 52 H ALA 6 H ALA 6 -6.695 -1.350 -7.700 53 HA ALA 6 HA ALA 6 -8.476 -0.103 -5.651 54 1HB ALA 6 1HB ALA 6 -9.611 0.711 -7.913 55 2HB ALA 6 2HB ALA 6 -8.011 0.372 -8.573 56 3HB ALA 6 3HB ALA 6 -8.196 1.541 -7.267 57 H SER 7 H SER 7 -10.541 -0.936 -5.358 58 HA SER 7 HA SER 7 -11.747 -2.749 -7.296 59 1HB SER 7 2HB SER 7 -11.645 -4.771 -6.053 60 2HB SER 7 1HB SER 7 -10.003 -4.135 -6.006 61 HG SER 7 HG SER 7 -10.206 -3.779 -3.932 62 H SER 8 H SER 8 -13.290 -4.091 -5.118 63 HA SER 8 HA SER 8 -14.869 -1.721 -4.198 64 1HB SER 8 2HB SER 8 -15.960 -3.064 -6.034 65 2HB SER 8 1HB SER 8 -15.979 -4.443 -4.938 66 HG SER 8 HG SER 8 -17.620 -3.584 -3.953 67 H GLY 9 H GLY 9 -14.762 -5.246 -3.541 68 1HA GLY 9 2HA GLY 9 -15.522 -5.005 -0.809 69 2HA GLY 9 1HA GLY 9 -14.669 -6.391 -1.493 70 H THR 10 H THR 10 -14.001 -5.612 1.060 71 HA THR 10 HA THR 10 -11.652 -3.838 0.912 72 HB THR 10 HB THR 10 -11.503 -4.658 3.411 73 HG1 THR 10 HG1 THR 10 -13.850 -5.081 3.965 74 1HG2 THR 10 1HG2 THR 10 -13.759 -3.111 3.668 75 2HG2 THR 10 2HG2 THR 10 -13.215 -2.697 2.042 76 3HG2 THR 10 3HG2 THR 10 -12.132 -2.480 3.416 77 H ASP 11 H ASP 11 -12.350 -7.285 1.500 78 HA ASP 11 HA ASP 11 -9.874 -8.123 0.308 79 1HB ASP 11 2HB ASP 11 -9.239 -7.119 2.651 80 2HB ASP 11 1HB ASP 11 -9.886 -8.639 3.268 81 H LEU 12 H LEU 12 -12.413 -8.930 2.670 82 HA LEU 12 HA LEU 12 -12.233 -11.786 2.005 83 1HB LEU 12 2HB LEU 12 -13.828 -10.112 3.904 84 2HB LEU 12 1HB LEU 12 -14.480 -11.683 3.437 85 HG LEU 12 HG LEU 12 -11.612 -11.433 4.318 86 1HD1 LEU 12 1HD1 LEU 12 -13.961 -10.924 5.936 87 2HD1 LEU 12 2HD1 LEU 12 -12.259 -10.843 6.395 88 3HD1 LEU 12 3HD1 LEU 12 -13.129 -12.374 6.498 89 1HD2 LEU 12 1HD2 LEU 12 -12.196 -13.798 5.113 90 2HD2 LEU 12 2HD2 LEU 12 -12.175 -13.553 3.366 91 3HD2 LEU 12 3HD2 LEU 12 -13.711 -13.613 4.229 92 H GLY 13 H GLY 13 -13.731 -9.056 0.660 93 1HA GLY 13 2HA GLY 13 -15.487 -10.839 -0.960 94 2HA GLY 13 1HA GLY 13 -16.168 -9.376 -0.248 95 H SER 14 H SER 14 -12.935 -8.878 -1.056 96 HA SER 14 HA SER 14 -13.680 -7.075 -3.223 97 1HB SER 14 2HB SER 14 -11.259 -6.595 -3.332 98 2HB SER 14 1HB SER 14 -11.850 -6.507 -1.675 99 HG SER 14 HG SER 14 -11.211 -8.930 -1.822 100 H GLU 15 H GLU 15 -14.615 -8.741 -4.665 101 HA GLU 15 HA GLU 15 -12.871 -10.790 -5.782 102 1HB GLU 15 2HB GLU 15 -14.769 -11.052 -7.436 103 2HB GLU 15 1HB GLU 15 -15.238 -11.238 -5.746 104 1HG GLU 15 2HG GLU 15 -16.328 -9.180 -5.678 105 2HG GLU 15 1HG GLU 15 -15.382 -8.522 -7.014 106 H VAL 16 H VAL 16 -12.801 -7.526 -6.125 107 HA VAL 16 HA VAL 16 -11.663 -6.176 -7.680 108 HB VAL 16 HB VAL 16 -11.204 -8.655 -9.343 109 1HG1 VAL 16 1HG1 VAL 16 -9.956 -5.944 -9.020 110 2HG1 VAL 16 2HG1 VAL 16 -10.361 -6.815 -10.499 111 3HG1 VAL 16 3HG1 VAL 16 -8.953 -7.295 -9.551 112 1HG2 VAL 16 1HG2 VAL 16 -10.103 -9.571 -7.598 113 2HG2 VAL 16 2HG2 VAL 16 -10.348 -8.127 -6.618 114 3HG2 VAL 16 3HG2 VAL 16 -8.963 -8.230 -7.703 115 H SER 17 H SER 17 -14.015 -5.534 -8.024 116 HA SER 17 HA SER 17 -15.578 -6.573 -10.166 117 1HB SER 17 2HB SER 17 -15.896 -4.577 -8.274 118 2HB SER 17 1HB SER 17 -15.822 -3.674 -9.784 119 HG SER 17 HG SER 17 -17.848 -5.047 -8.812 120 H ARG 18 H ARG 18 -16.108 -4.409 -11.864 121 HA ARG 18 HA ARG 18 -13.494 -4.121 -13.296 122 1HB ARG 18 2HB ARG 18 -16.156 -4.056 -14.698 123 2HB ARG 18 1HB ARG 18 -14.568 -4.460 -15.352 124 1HG ARG 18 2HG ARG 18 -14.539 -6.568 -14.183 125 2HG ARG 18 1HG ARG 18 -15.992 -6.143 -13.277 126 1HD ARG 18 2HD ARG 18 -16.475 -5.880 -16.117 127 2HD ARG 18 1HD ARG 18 -15.873 -7.496 -15.746 128 HE ARG 18 HE ARG 18 -17.812 -7.056 -13.817 129 1HH1 ARG 18 2HH1 ARG 18 -18.204 -5.735 -16.853 130 2HH1 ARG 18 1HH1 ARG 18 -19.609 -6.653 -17.278 131 1HH2 ARG 18 1HH2 ARG 18 -19.395 -8.753 -14.527 132 2HH2 ARG 18 2HH2 ARG 18 -20.283 -8.362 -15.960 133 H PHE 19 H PHE 19 -14.865 -2.298 -11.322 134 HA PHE 19 HA PHE 19 -15.215 0.054 -13.141 135 1HB PHE 19 2HB PHE 19 -17.014 -0.922 -11.271 136 2HB PHE 19 1HB PHE 19 -16.207 0.384 -10.403 137 HD1 PHE 19 HD1 PHE 19 -16.667 2.657 -10.903 138 HD2 PHE 19 HD2 PHE 19 -17.990 -0.438 -13.576 139 HE1 PHE 19 HE1 PHE 19 -17.988 4.324 -12.182 140 HE2 PHE 19 HE2 PHE 19 -19.310 1.229 -14.854 141 HZ PHE 19 HZ PHE 19 -19.309 3.611 -14.157 142 H PHE 20 H PHE 20 -13.429 1.315 -13.078 143 HA PHE 20 HA PHE 20 -11.930 1.503 -10.496 144 1HB PHE 20 2HB PHE 20 -10.556 0.573 -12.286 145 2HB PHE 20 1HB PHE 20 -10.988 1.909 -13.353 146 HD1 PHE 20 HD1 PHE 20 -9.375 3.560 -13.587 147 HD2 PHE 20 HD2 PHE 20 -9.712 1.486 -9.838 148 HE1 PHE 20 HE1 PHE 20 -7.496 4.901 -12.676 149 HE2 PHE 20 HE2 PHE 20 -7.833 2.827 -8.927 150 HZ PHE 20 HZ PHE 20 -6.725 4.534 -10.347 151 H GLY 21 H GLY 21 -14.282 3.057 -11.017 152 1HA GLY 21 2HA GLY 21 -13.214 5.757 -11.661 153 2HA GLY 21 1HA GLY 21 -14.924 5.334 -11.557 154 H ARG 22 H ARG 22 -15.847 5.011 -9.416 155 HA ARG 22 HA ARG 22 -14.533 6.726 -7.400 156 1HB ARG 22 2HB ARG 22 -17.211 6.214 -8.133 157 2HB ARG 22 1HB ARG 22 -17.017 5.535 -6.516 158 1HG ARG 22 2HG ARG 22 -17.652 7.848 -6.252 159 2HG ARG 22 1HG ARG 22 -15.946 7.717 -5.823 160 1HD ARG 22 2HD ARG 22 -15.985 8.159 -8.603 161 2HD ARG 22 1HD ARG 22 -17.174 9.275 -7.932 162 HE ARG 22 HE ARG 22 -14.272 9.270 -7.323 163 1HH1 ARG 22 2HH1 ARG 22 -17.226 10.062 -5.889 164 2HH1 ARG 22 1HH1 ARG 22 -16.805 11.707 -5.541 165 1HH2 ARG 22 1HH2 ARG 22 -13.809 11.589 -7.281 166 2HH2 ARG 22 2HH2 ARG 22 -14.871 12.570 -6.328 167 H ALA 23 H ALA 23 -12.845 4.854 -7.298 168 HA ALA 23 HA ALA 23 -13.292 2.327 -6.234 169 1HB ALA 23 1HB ALA 23 -11.062 3.479 -6.840 170 2HB ALA 23 2HB ALA 23 -11.046 2.347 -5.487 171 3HB ALA 23 3HB ALA 23 -11.075 4.084 -5.183 172 HA PRO 24 HA PRO 24 -15.214 3.720 -2.388 173 1HB PRO 24 2HB PRO 24 -16.530 1.345 -1.957 174 2HB PRO 24 1HB PRO 24 -17.149 2.629 -3.010 175 1HG PRO 24 2HG PRO 24 -15.922 0.017 -3.758 176 2HG PRO 24 1HG PRO 24 -17.071 1.017 -4.662 177 1HD PRO 24 2HD PRO 24 -14.280 0.850 -5.133 178 2HD PRO 24 1HD PRO 24 -15.386 2.061 -5.813 179 H TYR 25 H TYR 25 -12.821 1.462 -3.082 180 HA TYR 25 HA TYR 25 -12.002 1.318 -0.283 181 1HB TYR 25 2HB TYR 25 -12.968 -1.141 -1.758 182 2HB TYR 25 1HB TYR 25 -11.894 -1.233 -0.362 183 HD1 TYR 25 HD1 TYR 25 -12.640 -0.279 1.848 184 HD2 TYR 25 HD2 TYR 25 -15.299 -0.685 -1.503 185 HE1 TYR 25 HE1 TYR 25 -14.589 -0.037 3.364 186 HE2 TYR 25 HE2 TYR 25 -17.249 -0.445 0.014 187 HH TYR 25 HH TYR 25 -16.937 -0.569 3.440 188 H PHE 26 H PHE 26 -10.349 2.526 -1.649 189 HA PHE 26 HA PHE 26 -8.711 0.939 -3.474 190 1HB PHE 26 2HB PHE 26 -9.112 3.592 -3.256 191 2HB PHE 26 1HB PHE 26 -7.647 3.453 -2.285 192 HD1 PHE 26 HD1 PHE 26 -8.690 4.192 -5.463 193 HD2 PHE 26 HD2 PHE 26 -5.950 1.563 -3.449 194 HE1 PHE 26 HE1 PHE 26 -7.331 4.021 -7.533 195 HE2 PHE 26 HE2 PHE 26 -4.592 1.393 -5.519 196 HZ PHE 26 HZ PHE 26 -5.282 2.622 -7.560 197 H MET 27 H MET 27 -7.359 -0.595 -2.691 198 HA MET 27 HA MET 27 -6.350 -0.414 0.073 199 1HB MET 27 2HB MET 27 -6.998 -2.526 -1.655 200 2HB MET 27 1HB MET 27 -5.240 -2.580 -1.519 201 1HG MET 27 2HG MET 27 -5.721 -2.247 1.049 202 2HG MET 27 1HG MET 27 -7.315 -2.877 0.630 203 1HE MET 27 1HE MET 27 -7.575 -5.875 0.100 204 2HE MET 27 2HE MET 27 -7.764 -4.652 1.354 205 3HE MET 27 3HE MET 27 -6.808 -6.095 1.679 206 H ILE 28 H ILE 28 -4.549 0.794 0.412 207 HA ILE 28 HA ILE 28 -2.546 1.002 -1.785 208 HB ILE 28 HB ILE 28 -3.399 3.128 -0.863 209 1HG1 ILE 28 2HG1 ILE 28 -0.836 3.510 0.290 210 2HG1 ILE 28 1HG1 ILE 28 -0.640 2.297 -0.977 211 1HG2 ILE 28 1HG2 ILE 28 -3.921 2.274 1.406 212 2HG2 ILE 28 2HG2 ILE 28 -2.920 3.724 1.472 213 3HG2 ILE 28 3HG2 ILE 28 -2.195 2.138 1.741 214 1HD1 ILE 28 1HD1 ILE 28 -0.410 4.704 -1.754 215 2HD1 ILE 28 2HD1 ILE 28 -2.128 4.899 -1.402 216 3HD1 ILE 28 3HD1 ILE 28 -1.605 3.746 -2.631 217 H VAL 29 H VAL 29 -0.661 -0.104 -1.593 218 HA VAL 29 HA VAL 29 0.149 -1.014 1.141 219 HB VAL 29 HB VAL 29 0.365 -2.492 -1.499 220 1HG1 VAL 29 1HG1 VAL 29 1.439 -3.187 1.252 221 2HG1 VAL 29 2HG1 VAL 29 2.398 -2.837 -0.186 222 3HG1 VAL 29 3HG1 VAL 29 1.405 -4.293 -0.121 223 1HG2 VAL 29 1HG2 VAL 29 -0.806 -4.027 0.583 224 2HG2 VAL 29 2HG2 VAL 29 -1.598 -3.395 -0.859 225 3HG2 VAL 29 3HG2 VAL 29 -1.580 -2.444 0.625 226 H GLU 30 H GLU 30 2.300 -0.669 1.664 227 HA GLU 30 HA GLU 30 4.032 0.453 -0.502 228 1HB GLU 30 2HB GLU 30 3.335 2.243 1.026 229 2HB GLU 30 1HB GLU 30 3.893 1.300 2.409 230 1HG GLU 30 2HG GLU 30 5.946 1.580 0.342 231 2HG GLU 30 1HG GLU 30 5.416 3.134 0.987 232 H MET 31 H MET 31 5.687 -0.936 -0.862 233 HA MET 31 HA MET 31 6.728 -2.500 1.466 234 1HB MET 31 2HB MET 31 7.673 -3.933 -0.561 235 2HB MET 31 1HB MET 31 6.020 -4.161 0.010 236 1HG MET 31 2HG MET 31 5.216 -2.577 -1.717 237 2HG MET 31 1HG MET 31 6.870 -2.392 -2.304 238 1HE MET 31 1HE MET 31 4.126 -5.946 -2.240 239 2HE MET 31 2HE MET 31 4.536 -4.815 -0.952 240 3HE MET 31 3HE MET 31 5.537 -6.243 -1.214 241 H LYS 32 H LYS 32 8.950 -2.464 1.838 242 HA LYS 32 HA LYS 32 10.427 -0.282 0.534 243 1HB LYS 32 2HB LYS 32 10.534 -1.633 3.050 244 2HB LYS 32 1HB LYS 32 12.101 -1.829 2.264 245 1HG LYS 32 2HG LYS 32 12.344 0.551 1.984 246 2HG LYS 32 1HG LYS 32 10.684 0.837 2.508 247 1HD LYS 32 2HD LYS 32 11.370 -0.305 4.714 248 2HD LYS 32 1HD LYS 32 13.033 -0.085 4.166 249 1HE LYS 32 2HE LYS 32 12.526 1.838 5.493 250 2HE LYS 32 1HE LYS 32 12.454 2.375 3.815 251 1HZ LYS 32 1HZ LYS 32 10.344 2.148 5.771 252 2HZ LYS 32 2HZ LYS 32 9.944 1.523 4.242 253 3HZ LYS 32 3HZ LYS 32 10.450 3.138 4.398 254 H LYS 33 H LYS 33 11.754 -3.460 1.403 255 HA LYS 33 HA LYS 33 12.751 -3.675 -1.411 256 1HB LYS 33 2HB LYS 33 14.545 -3.290 0.268 257 2HB LYS 33 1HB LYS 33 14.035 -4.748 1.120 258 1HG LYS 33 2HG LYS 33 15.851 -5.421 -0.279 259 2HG LYS 33 1HG LYS 33 14.389 -5.995 -1.082 260 1HD LYS 33 2HD LYS 33 15.514 -4.973 -2.852 261 2HD LYS 33 1HD LYS 33 14.476 -3.661 -2.291 262 1HE LYS 33 2HE LYS 33 16.392 -2.905 -0.818 263 2HE LYS 33 1HE LYS 33 17.406 -4.083 -1.650 264 1HZ LYS 33 1HZ LYS 33 17.666 -2.659 -3.303 265 2HZ LYS 33 2HZ LYS 33 16.721 -1.509 -2.483 266 3HZ LYS 33 3HZ LYS 33 15.992 -2.599 -3.563 267 H GLY 34 H GLY 34 10.881 -4.915 -2.043 268 1HA GLY 34 2HA GLY 34 9.617 -6.882 -2.291 269 2HA GLY 34 1HA GLY 34 11.135 -7.709 -1.936 270 H ASN 35 H ASN 35 9.727 -5.527 0.399 271 HA ASN 35 HA ASN 35 8.634 -7.823 1.943 272 1HB ASN 35 2HB ASN 35 11.122 -7.019 2.518 273 2HB ASN 35 1HB ASN 35 10.239 -5.803 3.443 274 1HD2 ASN 35 1HD2 ASN 35 11.741 -8.591 4.025 275 2HD2 ASN 35 2HD2 ASN 35 10.702 -9.299 5.165 276 H ILE 36 H ILE 36 6.518 -7.048 1.777 277 HA ILE 36 HA ILE 36 5.620 -4.402 1.869 278 HB ILE 36 HB ILE 36 4.056 -6.181 1.408 279 1HG1 ILE 36 2HG1 ILE 36 3.335 -5.020 4.117 280 2HG1 ILE 36 1HG1 ILE 36 3.207 -4.127 2.602 281 1HG2 ILE 36 1HG2 ILE 36 4.508 -8.113 2.517 282 2HG2 ILE 36 2HG2 ILE 36 3.451 -7.454 3.766 283 3HG2 ILE 36 3HG2 ILE 36 5.199 -7.264 3.900 284 1HD1 ILE 36 1HD1 ILE 36 1.821 -6.214 1.811 285 2HD1 ILE 36 2HD1 ILE 36 1.048 -4.989 2.819 286 3HD1 ILE 36 3HD1 ILE 36 1.616 -6.495 3.540 287 H GLU 37 H GLU 37 5.348 -2.889 3.485 288 HA GLU 37 HA GLU 37 5.837 -3.760 6.295 289 1HB GLU 37 2HB GLU 37 7.603 -2.186 4.690 290 2HB GLU 37 1HB GLU 37 6.914 -1.137 5.931 291 1HG GLU 37 2HG GLU 37 7.681 -3.784 6.944 292 2HG GLU 37 1HG GLU 37 9.041 -2.856 6.313 293 H SER 38 H SER 38 3.503 -2.782 4.496 294 HA SER 38 HA SER 38 2.072 -1.385 6.532 295 1HB SER 38 2HB SER 38 2.165 0.646 4.514 296 2HB SER 38 1HB SER 38 2.630 0.769 6.209 297 HG SER 38 HG SER 38 4.653 0.595 5.647 298 H SER 39 H SER 39 -0.041 -1.764 6.085 299 HA SER 39 HA SER 39 -0.944 -1.808 3.257 300 1HB SER 39 2HB SER 39 -2.135 -3.977 4.816 301 2HB SER 39 1HB SER 39 -1.434 -4.016 3.200 302 HG SER 39 HG SER 39 0.650 -3.901 4.355 303 H GLU 40 H GLU 40 -2.529 -0.275 3.314 304 HA GLU 40 HA GLU 40 -4.524 -0.457 5.535 305 1HB GLU 40 2HB GLU 40 -2.714 1.598 5.292 306 2HB GLU 40 1HB GLU 40 -4.102 2.233 4.408 307 1HG GLU 40 2HG GLU 40 -5.296 1.123 6.627 308 2HG GLU 40 1HG GLU 40 -3.783 1.744 7.291 309 H VAL 41 H VAL 41 -6.640 0.537 4.928 310 HA VAL 41 HA VAL 41 -7.110 0.363 1.977 311 HB VAL 41 HB VAL 41 -9.085 -0.335 4.170 312 1HG1 VAL 41 1HG1 VAL 41 -9.139 -1.071 1.238 313 2HG1 VAL 41 2HG1 VAL 41 -9.883 0.407 1.849 314 3HG1 VAL 41 3HG1 VAL 41 -10.456 -1.166 2.406 315 1HG2 VAL 41 1HG2 VAL 41 -6.834 -1.788 3.540 316 2HG2 VAL 41 2HG2 VAL 41 -8.031 -2.483 2.448 317 3HG2 VAL 41 3HG2 VAL 41 -8.322 -2.479 4.188 318 H ILE 42 H ILE 42 -8.590 1.904 1.106 319 HA ILE 42 HA ILE 42 -9.313 4.118 2.986 320 HB ILE 42 HB ILE 42 -8.563 4.402 0.063 321 1HG1 ILE 42 2HG1 ILE 42 -6.845 5.523 2.210 322 2HG1 ILE 42 1HG1 ILE 42 -6.807 3.768 2.035 323 1HG2 ILE 42 1HG2 ILE 42 -8.282 6.784 1.612 324 2HG2 ILE 42 2HG2 ILE 42 -9.879 6.114 1.940 325 3HG2 ILE 42 3HG2 ILE 42 -9.400 6.478 0.283 326 1HD1 ILE 42 1HD1 ILE 42 -5.097 4.664 0.592 327 2HD1 ILE 42 2HD1 ILE 42 -6.220 5.835 -0.100 328 3HD1 ILE 42 3HD1 ILE 42 -6.417 4.116 -0.440 329 H GLU 43 H GLU 43 -11.451 4.629 3.005 330 HA GLU 43 HA GLU 43 -13.165 3.452 0.858 331 1HB GLU 43 2HB GLU 43 -15.017 3.731 2.545 332 2HB GLU 43 1HB GLU 43 -13.753 2.611 3.054 333 1HG GLU 43 2HG GLU 43 -12.994 5.256 3.855 334 2HG GLU 43 1HG GLU 43 -14.649 4.965 4.391 335 H ASN 44 H ASN 44 -13.258 5.106 -0.660 336 HA ASN 44 HA ASN 44 -13.174 7.856 -0.270 337 1HB ASN 44 2HB ASN 44 -14.195 6.066 -2.344 338 2HB ASN 44 1HB ASN 44 -15.096 7.581 -2.262 339 1HD2 ASN 44 1HD2 ASN 44 -13.853 7.721 -4.511 340 2HD2 ASN 44 2HD2 ASN 44 -12.342 8.493 -4.457 341 HA PRO 45 HA PRO 45 -16.860 8.775 1.965 342 1HB PRO 45 2HB PRO 45 -16.845 11.491 1.547 343 2HB PRO 45 1HB PRO 45 -15.761 10.671 2.684 344 1HG PRO 45 2HG PRO 45 -15.144 11.828 0.008 345 2HG PRO 45 1HG PRO 45 -14.071 11.573 1.394 346 1HD PRO 45 2HD PRO 45 -14.223 9.941 -0.922 347 2HD PRO 45 1HD PRO 45 -13.384 9.539 0.593 348 H SER 46 H SER 46 -16.486 10.373 -1.219 349 HA SER 46 HA SER 46 -19.427 10.450 -1.532 350 1HB SER 46 2HB SER 46 -17.382 12.128 -2.378 351 2HB SER 46 1HB SER 46 -17.828 11.263 -3.846 352 HG SER 46 HG SER 46 -19.696 12.471 -2.084 353 H ALA 47 H ALA 47 -17.932 7.875 -1.521 354 HA ALA 47 HA ALA 47 -17.827 6.924 -4.263 355 1HB ALA 47 1HB ALA 47 -18.060 4.654 -2.759 356 2HB ALA 47 2HB ALA 47 -17.444 5.790 -1.559 357 3HB ALA 47 3HB ALA 47 -16.536 5.496 -3.041 358 H SER 48 H SER 48 -20.357 7.529 -2.065 359 HA SER 48 HA SER 48 -22.166 5.613 -3.461 360 1HB SER 48 2HB SER 48 -22.523 7.191 -0.898 361 2HB SER 48 1HB SER 48 -23.759 6.156 -1.607 362 HG SER 48 HG SER 48 -21.414 5.513 -0.278 363 H ALA 49 H ALA 49 -21.102 8.601 -4.012 364 HA ALA 49 HA ALA 49 -23.786 9.765 -4.592 365 1HB ALA 49 1HB ALA 49 -22.529 11.889 -4.930 366 2HB ALA 49 2HB ALA 49 -21.031 11.038 -4.549 367 3HB ALA 49 3HB ALA 49 -22.281 11.219 -3.318 368 H SER 50 H SER 50 -23.432 11.315 -6.716 369 HA SER 50 HA SER 50 -23.410 9.590 -8.947 370 1HB SER 50 2HB SER 50 -24.271 11.996 -8.824 371 2HB SER 50 1HB SER 50 -22.601 12.505 -9.063 372 HG SER 50 HG SER 50 -24.404 11.395 -10.826 373 H GLY 51 H GLY 51 -21.801 8.996 -10.431 374 1HA GLY 51 2HA GLY 51 -19.009 9.481 -9.499 375 2HA GLY 51 1HA GLY 51 -19.516 8.114 -10.492 376 H GLY 52 H GLY 52 -18.804 11.564 -10.526 377 1HA GLY 52 2HA GLY 52 -19.262 11.808 -13.407 378 2HA GLY 52 1HA GLY 52 -18.566 13.047 -12.360 379 H ALA 53 H ALA 53 -16.449 13.449 -12.733 380 HA ALA 53 HA ALA 53 -14.878 11.664 -14.425 381 1HB ALA 53 1HB ALA 53 -13.032 13.380 -13.778 382 2HB ALA 53 2HB ALA 53 -14.350 14.284 -13.032 383 3HB ALA 53 3HB ALA 53 -14.383 13.943 -14.762 384 H GLY 54 H GLY 54 -14.328 9.752 -13.409 385 1HA GLY 54 2HA GLY 54 -13.273 9.889 -10.631 386 2HA GLY 54 1HA GLY 54 -13.765 8.414 -11.465 387 H ILE 55 H ILE 55 -12.216 9.653 -13.885 388 HA ILE 55 HA ILE 55 -9.812 8.128 -13.498 389 HB ILE 55 HB ILE 55 -10.318 10.330 -15.520 390 1HG1 ILE 55 2HG1 ILE 55 -12.109 8.648 -15.584 391 2HG1 ILE 55 1HG1 ILE 55 -11.063 8.470 -16.994 392 1HG2 ILE 55 1HG2 ILE 55 -8.133 8.460 -15.008 393 2HG2 ILE 55 2HG2 ILE 55 -8.179 9.859 -16.081 394 3HG2 ILE 55 3HG2 ILE 55 -8.779 8.299 -16.642 395 1HD1 ILE 55 1HD1 ILE 55 -10.673 6.335 -16.412 396 2HD1 ILE 55 2HD1 ILE 55 -11.656 6.533 -14.960 397 3HD1 ILE 55 3HD1 ILE 55 -9.931 6.897 -14.914 398 H ARG 56 H ARG 56 -10.713 11.262 -12.474 399 HA ARG 56 HA ARG 56 -8.075 12.468 -12.498 400 1HB ARG 56 2HB ARG 56 -10.700 13.315 -11.918 401 2HB ARG 56 1HB ARG 56 -9.797 13.512 -10.416 402 1HG ARG 56 2HG ARG 56 -8.602 14.439 -13.016 403 2HG ARG 56 1HG ARG 56 -9.772 15.454 -12.172 404 1HD ARG 56 2HD ARG 56 -8.152 16.148 -10.775 405 2HD ARG 56 1HD ARG 56 -7.912 14.486 -10.236 406 HE ARG 56 HE ARG 56 -6.140 14.257 -11.880 407 1HH1 ARG 56 2HH1 ARG 56 -7.899 17.042 -12.645 408 2HH1 ARG 56 1HH1 ARG 56 -6.519 17.992 -13.085 409 1HH2 ARG 56 1HH2 ARG 56 -4.220 15.613 -12.046 410 2HH2 ARG 56 2HH2 ARG 56 -4.437 17.183 -12.745 411 H THR 57 H THR 57 -9.740 10.253 -10.407 412 HA THR 57 HA THR 57 -8.432 10.704 -7.945 413 HB THR 57 HB THR 57 -9.364 8.127 -9.237 414 HG1 THR 57 HG1 THR 57 -10.768 9.996 -8.478 415 1HG2 THR 57 1HG2 THR 57 -7.997 8.667 -6.646 416 2HG2 THR 57 2HG2 THR 57 -7.964 7.221 -7.656 417 3HG2 THR 57 3HG2 THR 57 -9.355 7.543 -6.621 418 H ALA 58 H ALA 58 -7.225 9.347 -10.922 419 HA ALA 58 HA ALA 58 -5.004 7.874 -9.964 420 1HB ALA 58 1HB ALA 58 -4.204 9.263 -12.319 421 2HB ALA 58 2HB ALA 58 -5.922 8.899 -12.481 422 3HB ALA 58 3HB ALA 58 -4.770 7.598 -12.185 423 H GLN 59 H GLN 59 -5.059 11.300 -11.030 424 HA GLN 59 HA GLN 59 -2.423 11.968 -10.343 425 1HB GLN 59 2HB GLN 59 -4.401 13.390 -11.393 426 2HB GLN 59 1HB GLN 59 -4.606 13.925 -9.725 427 1HG GLN 59 2HG GLN 59 -1.827 13.994 -10.224 428 2HG GLN 59 1HG GLN 59 -2.594 14.715 -11.639 429 1HE2 GLN 59 1HE2 GLN 59 -2.994 14.828 -8.045 430 2HE2 GLN 59 2HE2 GLN 59 -3.262 16.503 -7.986 431 H ILE 60 H ILE 60 -5.281 11.768 -8.250 432 HA ILE 60 HA ILE 60 -4.055 12.871 -5.909 433 HB ILE 60 HB ILE 60 -6.283 10.826 -6.146 434 1HG1 ILE 60 2HG1 ILE 60 -6.351 13.845 -5.822 435 2HG1 ILE 60 1HG1 ILE 60 -6.717 12.975 -7.312 436 1HG2 ILE 60 1HG2 ILE 60 -5.758 10.686 -3.901 437 2HG2 ILE 60 2HG2 ILE 60 -6.809 12.103 -3.857 438 3HG2 ILE 60 3HG2 ILE 60 -5.057 12.304 -3.857 439 1HD1 ILE 60 1HD1 ILE 60 -8.356 13.313 -4.878 440 2HD1 ILE 60 2HD1 ILE 60 -8.343 11.679 -5.541 441 3HD1 ILE 60 3HD1 ILE 60 -8.860 13.033 -6.545 442 H ILE 61 H ILE 61 -4.185 9.570 -7.208 443 HA ILE 61 HA ILE 61 -2.903 8.372 -4.898 444 HB ILE 61 HB ILE 61 -2.972 7.295 -7.729 445 1HG1 ILE 61 2HG1 ILE 61 -5.007 6.786 -5.548 446 2HG1 ILE 61 1HG1 ILE 61 -5.231 8.036 -6.771 447 1HG2 ILE 61 1HG2 ILE 61 -2.315 6.233 -5.027 448 2HG2 ILE 61 2HG2 ILE 61 -1.657 5.786 -6.602 449 3HG2 ILE 61 3HG2 ILE 61 -3.229 5.168 -6.096 450 1HD1 ILE 61 1HD1 ILE 61 -4.863 5.069 -7.271 451 2HD1 ILE 61 2HD1 ILE 61 -4.935 6.292 -8.540 452 3HD1 ILE 61 3HD1 ILE 61 -6.340 6.001 -7.515 453 H ALA 62 H ALA 62 -1.775 10.086 -7.696 454 HA ALA 62 HA ALA 62 0.910 9.007 -7.722 455 1HB ALA 62 1HB ALA 62 -0.292 10.325 -9.586 456 2HB ALA 62 2HB ALA 62 1.404 10.713 -9.295 457 3HB ALA 62 3HB ALA 62 0.138 11.769 -8.669 458 H ASN 63 H ASN 63 -0.715 11.540 -5.926 459 HA ASN 63 HA ASN 63 1.720 12.799 -4.964 460 1HB ASN 63 2HB ASN 63 -1.195 12.953 -4.242 461 2HB ASN 63 1HB ASN 63 0.011 13.682 -3.181 462 1HD2 ASN 63 1HD2 ASN 63 0.556 13.519 -6.668 463 2HD2 ASN 63 2HD2 ASN 63 0.370 15.181 -6.956 464 H ASN 64 H ASN 64 0.417 9.799 -4.358 465 HA ASN 64 HA ASN 64 1.232 9.774 -1.498 466 1HB ASN 64 2HB ASN 64 -0.876 8.561 -2.806 467 2HB ASN 64 1HB ASN 64 0.295 7.249 -2.674 468 1HD2 ASN 64 1HD2 ASN 64 1.524 7.740 -0.233 469 2HD2 ASN 64 2HD2 ASN 64 0.383 7.695 1.022 470 H GLY 65 H GLY 65 2.363 8.891 -4.629 471 1HA GLY 65 2HA GLY 65 4.720 8.327 -4.938 472 2HA GLY 65 1HA GLY 65 4.702 7.552 -3.353 473 H VAL 66 H VAL 66 1.880 6.559 -4.484 474 HA VAL 66 HA VAL 66 2.444 3.882 -4.872 475 HB VAL 66 HB VAL 66 0.392 5.511 -6.400 476 1HG1 VAL 66 1HG1 VAL 66 0.113 2.608 -5.699 477 2HG1 VAL 66 2HG1 VAL 66 1.063 3.059 -7.114 478 3HG1 VAL 66 3HG1 VAL 66 -0.638 3.516 -7.012 479 1HG2 VAL 66 1HG2 VAL 66 0.515 4.311 -3.656 480 2HG2 VAL 66 2HG2 VAL 66 -1.032 4.319 -4.501 481 3HG2 VAL 66 3HG2 VAL 66 -0.197 5.838 -4.176 482 H LYS 67 H LYS 67 4.352 3.474 -6.009 483 HA LYS 67 HA LYS 67 4.748 4.548 -8.700 484 1HB LYS 67 2HB LYS 67 6.224 2.499 -7.029 485 2HB LYS 67 1HB LYS 67 6.688 2.878 -8.687 486 1HG LYS 67 2HG LYS 67 6.285 5.162 -6.804 487 2HG LYS 67 1HG LYS 67 7.745 4.191 -6.616 488 1HD LYS 67 2HD LYS 67 8.180 4.506 -9.079 489 2HD LYS 67 1HD LYS 67 6.831 5.642 -9.114 490 1HE LYS 67 2HE LYS 67 7.971 7.249 -7.921 491 2HE LYS 67 1HE LYS 67 8.911 6.061 -7.018 492 1HZ LYS 67 1HZ LYS 67 9.357 6.232 -9.899 493 2HZ LYS 67 2HZ LYS 67 10.456 5.899 -8.648 494 3HZ LYS 67 3HZ LYS 67 9.962 7.497 -8.944 495 H ALA 68 H ALA 68 2.789 2.163 -7.436 496 HA ALA 68 HA ALA 68 2.610 0.859 -10.111 497 1HB ALA 68 1HB ALA 68 3.104 -1.217 -9.353 498 2HB ALA 68 2HB ALA 68 2.142 -0.998 -7.891 499 3HB ALA 68 3HB ALA 68 3.802 -0.405 -7.951 500 H VAL 69 H VAL 69 0.499 0.667 -10.762 501 HA VAL 69 HA VAL 69 -1.612 0.903 -8.654 502 HB VAL 69 HB VAL 69 -1.542 2.247 -11.372 503 1HG1 VAL 69 1HG1 VAL 69 -3.800 1.955 -11.229 504 2HG1 VAL 69 2HG1 VAL 69 -3.705 3.268 -10.054 505 3HG1 VAL 69 3HG1 VAL 69 -3.741 1.592 -9.503 506 1HG2 VAL 69 1HG2 VAL 69 -1.221 4.253 -10.233 507 2HG2 VAL 69 2HG2 VAL 69 -0.291 3.149 -9.221 508 3HG2 VAL 69 3HG2 VAL 69 -1.915 3.632 -8.735 509 H ILE 70 H ILE 70 -2.927 -0.848 -8.701 510 HA ILE 70 HA ILE 70 -3.006 -2.496 -11.177 511 HB ILE 70 HB ILE 70 -3.731 -3.049 -8.292 512 1HG1 ILE 70 2HG1 ILE 70 -2.142 -5.081 -9.251 513 2HG1 ILE 70 1HG1 ILE 70 -1.528 -3.687 -10.143 514 1HG2 ILE 70 1HG2 ILE 70 -4.075 -5.444 -9.520 515 2HG2 ILE 70 2HG2 ILE 70 -4.663 -4.365 -10.784 516 3HG2 ILE 70 3HG2 ILE 70 -5.403 -4.333 -9.183 517 1HD1 ILE 70 1HD1 ILE 70 -1.157 -4.365 -7.354 518 2HD1 ILE 70 2HD1 ILE 70 -1.917 -2.781 -7.505 519 3HD1 ILE 70 3HD1 ILE 70 -0.376 -3.099 -8.301 520 H ALA 71 H ALA 71 -4.691 -2.085 -12.514 521 HA ALA 71 HA ALA 71 -7.398 -1.794 -11.382 522 1HB ALA 71 1HB ALA 71 -7.779 0.276 -12.817 523 2HB ALA 71 2HB ALA 71 -6.026 0.373 -12.989 524 3HB ALA 71 3HB ALA 71 -6.765 0.519 -11.394 525 H SER 72 H SER 72 -8.984 -1.517 -13.341 526 HA SER 72 HA SER 72 -7.948 -2.976 -15.726 527 1HB SER 72 2HB SER 72 -10.602 -3.671 -14.466 528 2HB SER 72 1HB SER 72 -9.701 -4.574 -15.679 529 HG SER 72 HG SER 72 -9.629 -4.948 -13.124 530 H SER 73 H SER 73 -8.509 -0.191 -15.463 531 HA SER 73 HA SER 73 -11.061 0.685 -16.175 532 1HB SER 73 2HB SER 73 -8.531 1.747 -17.450 533 2HB SER 73 1HB SER 73 -10.019 2.629 -17.114 534 HG SER 73 HG SER 73 -8.446 3.039 -15.525 535 HA PRO 74 HA PRO 74 -11.615 -1.280 -20.116 536 1HB PRO 74 2HB PRO 74 -14.011 -0.073 -20.704 537 2HB PRO 74 1HB PRO 74 -13.850 -1.422 -19.567 538 1HG PRO 74 2HG PRO 74 -14.323 1.464 -18.996 539 2HG PRO 74 1HG PRO 74 -14.741 0.045 -18.022 540 1HD PRO 74 2HD PRO 74 -12.538 1.783 -17.588 541 2HD PRO 74 1HD PRO 74 -12.807 0.210 -16.807 542 H GLY 75 H GLY 75 -11.487 2.166 -19.592 543 1HA GLY 75 2HA GLY 75 -11.220 2.641 -22.524 544 2HA GLY 75 1HA GLY 75 -11.562 3.891 -21.328 545 HA PRO 76 HA PRO 76 -6.892 3.239 -22.030 546 1HB PRO 76 2HB PRO 76 -6.453 4.708 -24.312 547 2HB PRO 76 1HB PRO 76 -6.747 2.961 -24.317 548 1HG PRO 76 2HG PRO 76 -8.584 5.175 -25.103 549 2HG PRO 76 1HG PRO 76 -8.557 3.491 -25.652 550 1HD PRO 76 2HD PRO 76 -10.343 4.584 -23.749 551 2HD PRO 76 1HD PRO 76 -10.080 2.854 -24.061 552 H ASN 77 H ASN 77 -9.148 5.665 -21.629 553 HA ASN 77 HA ASN 77 -7.509 8.027 -21.726 554 1HB ASN 77 2HB ASN 77 -10.134 7.716 -21.532 555 2HB ASN 77 1HB ASN 77 -9.794 7.798 -19.801 556 1HD2 ASN 77 1HD2 ASN 77 -10.994 9.807 -21.909 557 2HD2 ASN 77 2HD2 ASN 77 -10.160 11.246 -21.570 558 H ALA 78 H ALA 78 -8.520 5.944 -18.997 559 HA ALA 78 HA ALA 78 -7.034 7.331 -16.999 560 1HB ALA 78 1HB ALA 78 -8.765 5.219 -16.983 561 2HB ALA 78 2HB ALA 78 -7.765 5.682 -15.605 562 3HB ALA 78 3HB ALA 78 -7.232 4.397 -16.690 563 H PHE 79 H PHE 79 -6.174 4.363 -18.813 564 HA PHE 79 HA PHE 79 -3.553 4.078 -17.785 565 1HB PHE 79 2HB PHE 79 -4.491 3.444 -20.600 566 2HB PHE 79 1HB PHE 79 -3.082 2.758 -19.790 567 HD1 PHE 79 HD1 PHE 79 -6.042 1.697 -20.849 568 HD2 PHE 79 HD2 PHE 79 -4.045 2.238 -17.082 569 HE1 PHE 79 HE1 PHE 79 -7.476 -0.056 -19.838 570 HE2 PHE 79 HE2 PHE 79 -5.481 0.484 -16.070 571 HZ PHE 79 HZ PHE 79 -7.195 -0.663 -17.448 572 H GLU 80 H GLU 80 -4.845 6.426 -19.967 573 HA GLU 80 HA GLU 80 -2.320 7.137 -21.220 574 1HB GLU 80 2HB GLU 80 -4.496 7.641 -22.283 575 2HB GLU 80 1HB GLU 80 -4.885 8.734 -20.954 576 1HG GLU 80 2HG GLU 80 -3.914 10.348 -22.209 577 2HG GLU 80 1HG GLU 80 -2.382 9.605 -21.748 578 H VAL 81 H VAL 81 -4.275 8.520 -18.570 579 HA VAL 81 HA VAL 81 -2.433 10.658 -18.005 580 HB VAL 81 HB VAL 81 -4.300 9.367 -16.006 581 1HG1 VAL 81 1HG1 VAL 81 -4.389 11.602 -15.067 582 2HG1 VAL 81 2HG1 VAL 81 -3.457 12.250 -16.418 583 3HG1 VAL 81 3HG1 VAL 81 -2.695 11.155 -15.264 584 1HG2 VAL 81 1HG2 VAL 81 -4.884 11.194 -18.340 585 2HG2 VAL 81 2HG2 VAL 81 -5.932 11.146 -16.922 586 3HG2 VAL 81 3HG2 VAL 81 -5.698 9.694 -17.896 587 H LEU 82 H LEU 82 -2.823 7.379 -16.666 588 HA LEU 82 HA LEU 82 -0.968 7.505 -14.563 589 1HB LEU 82 2HB LEU 82 -1.922 5.339 -16.384 590 2HB LEU 82 1HB LEU 82 -0.483 5.013 -15.416 591 HG LEU 82 HG LEU 82 -2.574 4.336 -14.249 592 1HD1 LEU 82 1HD1 LEU 82 -0.523 6.146 -13.260 593 2HD1 LEU 82 2HD1 LEU 82 -1.253 4.749 -12.469 594 3HD1 LEU 82 3HD1 LEU 82 -2.026 6.329 -12.356 595 1HD2 LEU 82 1HD2 LEU 82 -4.251 5.895 -13.671 596 2HD2 LEU 82 2HD2 LEU 82 -3.851 6.324 -15.335 597 3HD2 LEU 82 3HD2 LEU 82 -3.204 7.276 -13.999 598 H ASN 83 H ASN 83 -0.259 6.467 -17.925 599 HA ASN 83 HA ASN 83 2.584 6.438 -17.543 600 1HB ASN 83 2HB ASN 83 0.777 5.831 -19.633 601 2HB ASN 83 1HB ASN 83 1.875 7.056 -20.273 602 1HD2 ASN 83 1HD2 ASN 83 3.460 5.918 -21.419 603 2HD2 ASN 83 2HD2 ASN 83 4.306 4.573 -20.820 604 H GLU 84 H GLU 84 0.316 8.997 -18.115 605 HA GLU 84 HA GLU 84 2.231 10.895 -19.193 606 1HB GLU 84 2HB GLU 84 -0.573 11.022 -18.148 607 2HB GLU 84 1HB GLU 84 0.345 12.523 -18.270 608 1HG GLU 84 2HG GLU 84 0.927 11.497 -20.682 609 2HG GLU 84 1HG GLU 84 -0.639 10.726 -20.432 610 H LEU 85 H LEU 85 1.301 9.840 -16.000 611 HA LEU 85 HA LEU 85 2.616 12.138 -14.701 612 1HB LEU 85 2HB LEU 85 0.593 10.381 -13.939 613 2HB LEU 85 1HB LEU 85 1.978 9.867 -12.977 614 HG LEU 85 HG LEU 85 1.523 12.799 -13.170 615 1HD1 LEU 85 1HD1 LEU 85 -0.140 11.165 -11.253 616 2HD1 LEU 85 2HD1 LEU 85 -0.761 11.613 -12.842 617 3HD1 LEU 85 3HD1 LEU 85 -0.313 12.867 -11.684 618 1HD2 LEU 85 1HD2 LEU 85 2.283 10.832 -10.990 619 2HD2 LEU 85 2HD2 LEU 85 2.125 12.568 -10.727 620 3HD2 LEU 85 3HD2 LEU 85 3.355 11.951 -11.831 621 H GLY 86 H GLY 86 3.277 8.773 -15.476 622 1HA GLY 86 2HA GLY 86 5.602 8.049 -15.757 623 2HA GLY 86 1HA GLY 86 6.063 9.192 -14.496 624 H ILE 87 H ILE 87 3.396 6.833 -14.486 625 HA ILE 87 HA ILE 87 4.735 5.516 -12.155 626 HB ILE 87 HB ILE 87 1.760 5.442 -12.412 627 1HG1 ILE 87 2HG1 ILE 87 3.279 7.841 -11.336 628 2HG1 ILE 87 1HG1 ILE 87 2.354 7.824 -12.838 629 1HG2 ILE 87 1HG2 ILE 87 2.715 6.093 -9.815 630 2HG2 ILE 87 2HG2 ILE 87 3.792 4.859 -10.468 631 3HG2 ILE 87 3HG2 ILE 87 2.059 4.553 -10.369 632 1HD1 ILE 87 1HD1 ILE 87 0.966 8.764 -11.069 633 2HD1 ILE 87 2HD1 ILE 87 1.265 7.358 -10.047 634 3HD1 ILE 87 3HD1 ILE 87 0.322 7.188 -11.528 635 H LYS 88 H LYS 88 4.274 3.208 -11.945 636 HA LYS 88 HA LYS 88 4.072 1.901 -14.561 637 1HB LYS 88 2HB LYS 88 4.838 1.117 -11.804 638 2HB LYS 88 1HB LYS 88 4.121 -0.156 -12.792 639 1HG LYS 88 2HG LYS 88 6.584 -0.089 -13.049 640 2HG LYS 88 1HG LYS 88 5.764 0.273 -14.569 641 1HD LYS 88 2HD LYS 88 5.953 2.770 -13.685 642 2HD LYS 88 1HD LYS 88 7.296 2.101 -12.758 643 1HE LYS 88 2HE LYS 88 7.444 1.102 -15.444 644 2HE LYS 88 1HE LYS 88 7.283 2.858 -15.499 645 1HZ LYS 88 1HZ LYS 88 9.073 2.046 -13.445 646 2HZ LYS 88 2HZ LYS 88 9.337 3.105 -14.746 647 3HZ LYS 88 3HZ LYS 88 9.565 1.434 -14.949 648 H ILE 89 H ILE 89 2.314 0.737 -15.318 649 HA ILE 89 HA ILE 89 -0.145 0.863 -13.623 650 HB ILE 89 HB ILE 89 0.051 0.427 -16.617 651 1HG1 ILE 89 2HG1 ILE 89 -1.061 2.969 -15.804 652 2HG1 ILE 89 1HG1 ILE 89 0.563 2.784 -15.141 653 1HG2 ILE 89 1HG2 ILE 89 -2.157 0.686 -14.622 654 2HG2 ILE 89 2HG2 ILE 89 -2.073 -0.301 -16.080 655 3HG2 ILE 89 3HG2 ILE 89 -2.396 1.428 -16.204 656 1HD1 ILE 89 1HD1 ILE 89 1.289 2.050 -17.476 657 2HD1 ILE 89 2HD1 ILE 89 0.853 3.751 -17.307 658 3HD1 ILE 89 3HD1 ILE 89 -0.284 2.618 -18.040 659 H TYR 90 H TYR 90 -1.542 -1.028 -13.603 660 HA TYR 90 HA TYR 90 -0.200 -3.557 -14.446 661 1HB TYR 90 2HB TYR 90 -0.869 -2.668 -11.736 662 2HB TYR 90 1HB TYR 90 -1.571 -4.236 -12.131 663 HD1 TYR 90 HD1 TYR 90 1.662 -2.417 -12.759 664 HD2 TYR 90 HD2 TYR 90 -0.264 -6.081 -11.605 665 HE1 TYR 90 HE1 TYR 90 3.880 -3.489 -12.456 666 HE2 TYR 90 HE2 TYR 90 1.953 -7.152 -11.302 667 HH TYR 90 HH TYR 90 4.539 -6.401 -12.518 668 H ARG 91 H ARG 91 -1.608 -5.069 -15.310 669 HA ARG 91 HA ARG 91 -4.433 -4.191 -15.609 670 1HB ARG 91 2HB ARG 91 -4.473 -6.086 -17.321 671 2HB ARG 91 1HB ARG 91 -3.416 -4.728 -17.709 672 1HG ARG 91 2HG ARG 91 -1.536 -5.987 -17.530 673 2HG ARG 91 1HG ARG 91 -2.124 -6.821 -16.091 674 1HD ARG 91 2HD ARG 91 -3.708 -8.088 -17.655 675 2HD ARG 91 1HD ARG 91 -2.743 -7.445 -18.984 676 HE ARG 91 HE ARG 91 -1.789 -9.383 -16.943 677 1HH1 ARG 91 2HH1 ARG 91 -1.770 -10.130 -19.799 678 2HH1 ARG 91 1HH1 ARG 91 -0.138 -9.794 -20.276 679 1HH2 ARG 91 1HH2 ARG 91 0.533 -7.788 -17.530 680 2HH2 ARG 91 2HH2 ARG 91 1.165 -8.468 -18.991 681 H ALA 92 H ALA 92 -5.787 -4.997 -14.075 682 HA ALA 92 HA ALA 92 -5.125 -7.441 -12.609 683 1HB ALA 92 1HB ALA 92 -6.860 -6.863 -11.178 684 2HB ALA 92 2HB ALA 92 -7.833 -6.167 -12.473 685 3HB ALA 92 3HB ALA 92 -6.451 -5.277 -11.833 686 H THR 93 H THR 93 -5.697 -9.461 -13.247 687 HA THR 93 HA THR 93 -7.202 -9.920 -15.659 688 HB THR 93 HB THR 93 -7.074 -12.310 -15.013 689 HG1 THR 93 HG1 THR 93 -6.417 -12.882 -13.036 690 1HG2 THR 93 1HG2 THR 93 -4.397 -11.902 -14.301 691 2HG2 THR 93 2HG2 THR 93 -4.834 -10.476 -15.242 692 3HG2 THR 93 3HG2 THR 93 -5.033 -12.084 -15.936 693 H GLY 94 H GLY 94 -8.012 -10.186 -12.201 694 1HA GLY 94 2HA GLY 94 -10.357 -9.446 -11.636 695 2HA GLY 94 1HA GLY 94 -10.884 -10.406 -13.020 696 H THR 95 H THR 95 -9.948 -10.506 -9.683 697 HA THR 95 HA THR 95 -11.122 -13.128 -9.346 698 HB THR 95 HB THR 95 -8.418 -13.461 -8.387 699 HG1 THR 95 HG1 THR 95 -7.770 -13.730 -10.776 700 1HG2 THR 95 1HG2 THR 95 -8.700 -15.590 -9.261 701 2HG2 THR 95 2HG2 THR 95 -9.604 -15.009 -10.659 702 3HG2 THR 95 3HG2 THR 95 -10.382 -15.096 -9.079 703 H SER 96 H SER 96 -8.401 -11.473 -7.709 704 HA SER 96 HA SER 96 -10.103 -10.434 -5.603 705 1HB SER 96 2HB SER 96 -8.885 -13.101 -5.307 706 2HB SER 96 1HB SER 96 -8.547 -12.001 -3.974 707 HG SER 96 HG SER 96 -10.494 -13.082 -3.612 708 H VAL 97 H VAL 97 -9.065 -8.579 -5.089 709 HA VAL 97 HA VAL 97 -6.432 -7.918 -5.862 710 HB VAL 97 HB VAL 97 -6.614 -6.057 -4.229 711 1HG1 VAL 97 1HG1 VAL 97 -8.050 -6.412 -6.492 712 2HG1 VAL 97 2HG1 VAL 97 -8.170 -4.956 -5.504 713 3HG1 VAL 97 3HG1 VAL 97 -9.369 -6.238 -5.334 714 1HG2 VAL 97 1HG2 VAL 97 -8.243 -5.977 -2.572 715 2HG2 VAL 97 2HG2 VAL 97 -7.913 -7.709 -2.610 716 3HG2 VAL 97 3HG2 VAL 97 -9.327 -7.063 -3.442 717 H GLU 98 H GLU 98 -7.544 -9.807 -3.176 718 HA GLU 98 HA GLU 98 -5.350 -9.459 -1.388 719 1HB GLU 98 2HB GLU 98 -7.410 -10.629 -0.729 720 2HB GLU 98 1HB GLU 98 -7.055 -11.922 -1.875 721 1HG GLU 98 2HG GLU 98 -4.939 -11.224 0.114 722 2HG GLU 98 1HG GLU 98 -6.351 -12.106 0.697 723 H GLU 99 H GLU 99 -5.863 -11.941 -3.922 724 HA GLU 99 HA GLU 99 -3.160 -12.984 -3.595 725 1HB GLU 99 2HB GLU 99 -4.987 -13.437 -5.962 726 2HB GLU 99 1HB GLU 99 -3.713 -14.496 -5.355 727 1HG GLU 99 2HG GLU 99 -5.315 -14.200 -3.137 728 2HG GLU 99 1HG GLU 99 -6.496 -14.207 -4.449 729 H ASN 100 H ASN 100 -4.755 -10.679 -5.739 730 HA ASN 100 HA ASN 100 -2.726 -10.488 -7.726 731 1HB ASN 100 2HB ASN 100 -5.087 -9.005 -6.951 732 2HB ASN 100 1HB ASN 100 -3.779 -7.896 -7.364 733 1HD2 ASN 100 1HD2 ASN 100 -5.219 -10.956 -8.645 734 2HD2 ASN 100 2HD2 ASN 100 -5.089 -10.502 -10.275 735 H LEU 101 H LEU 101 -2.950 -9.132 -4.487 736 HA LEU 101 HA LEU 101 -0.824 -7.211 -4.791 737 1HB LEU 101 2HB LEU 101 -2.478 -7.164 -2.925 738 2HB LEU 101 1HB LEU 101 -1.745 -8.630 -2.272 739 HG LEU 101 HG LEU 101 0.460 -7.386 -2.213 740 1HD1 LEU 101 1HD1 LEU 101 -1.329 -4.975 -2.634 741 2HD1 LEU 101 2HD1 LEU 101 -0.256 -5.638 -3.866 742 3HD1 LEU 101 3HD1 LEU 101 0.415 -4.963 -2.381 743 1HD2 LEU 101 1HD2 LEU 101 -0.048 -7.031 -0.044 744 2HD2 LEU 101 2HD2 LEU 101 -1.741 -7.325 -0.443 745 3HD2 LEU 101 3HD2 LEU 101 -1.101 -5.681 -0.471 746 H LYS 102 H LYS 102 -0.828 -10.416 -3.176 747 HA LYS 102 HA LYS 102 2.004 -10.530 -2.843 748 1HB LYS 102 2HB LYS 102 -0.216 -12.203 -2.287 749 2HB LYS 102 1HB LYS 102 0.908 -13.163 -3.249 750 1HG LYS 102 2HG LYS 102 2.446 -13.241 -1.586 751 2HG LYS 102 1HG LYS 102 2.225 -11.538 -1.184 752 1HD LYS 102 2HD LYS 102 0.153 -13.614 -0.464 753 2HD LYS 102 1HD LYS 102 1.513 -13.254 0.600 754 1HE LYS 102 2HE LYS 102 -0.314 -11.096 -0.470 755 2HE LYS 102 1HE LYS 102 -0.635 -11.938 1.046 756 1HZ LYS 102 1HZ LYS 102 1.192 -9.843 0.531 757 2HZ LYS 102 2HZ LYS 102 2.029 -11.203 1.109 758 3HZ LYS 102 3HZ LYS 102 0.757 -10.537 2.016 759 H LEU 103 H LEU 103 0.003 -10.998 -5.624 760 HA LEU 103 HA LEU 103 1.909 -12.634 -7.101 761 1HB LEU 103 2HB LEU 103 -0.739 -11.472 -7.553 762 2HB LEU 103 1HB LEU 103 0.293 -11.385 -8.981 763 HG LEU 103 HG LEU 103 0.746 -13.943 -7.928 764 1HD1 LEU 103 1HD1 LEU 103 -1.146 -14.026 -6.541 765 2HD1 LEU 103 2HD1 LEU 103 -1.740 -14.738 -8.042 766 3HD1 LEU 103 3HD1 LEU 103 -2.119 -13.060 -7.652 767 1HD2 LEU 103 1HD2 LEU 103 0.303 -12.866 -10.345 768 2HD2 LEU 103 2HD2 LEU 103 -1.295 -13.560 -10.072 769 3HD2 LEU 103 3HD2 LEU 103 0.131 -14.597 -10.053 770 H PHE 104 H PHE 104 1.079 -9.175 -6.992 771 HA PHE 104 HA PHE 104 2.735 -8.301 -9.120 772 1HB PHE 104 2HB PHE 104 1.154 -6.780 -8.087 773 2HB PHE 104 1HB PHE 104 1.959 -6.930 -6.526 774 HD1 PHE 104 HD1 PHE 104 4.499 -6.267 -6.465 775 HD2 PHE 104 HD2 PHE 104 1.754 -5.040 -9.537 776 HE1 PHE 104 HE1 PHE 104 6.005 -4.389 -7.062 777 HE2 PHE 104 HE2 PHE 104 3.261 -3.163 -10.133 778 HZ PHE 104 HZ PHE 104 5.387 -2.838 -8.897 779 H THR 105 H THR 105 3.503 -8.441 -5.619 780 HA THR 105 HA THR 105 6.281 -7.782 -5.996 781 HB THR 105 HB THR 105 5.144 -9.369 -3.683 782 HG1 THR 105 HG1 THR 105 4.308 -7.032 -4.536 783 1HG2 THR 105 1HG2 THR 105 6.925 -7.463 -2.764 784 2HG2 THR 105 2HG2 THR 105 7.638 -7.961 -4.298 785 3HG2 THR 105 3HG2 THR 105 7.303 -9.162 -3.050 786 H GLU 106 H GLU 106 4.471 -10.691 -6.401 787 HA GLU 106 HA GLU 106 6.791 -12.466 -6.105 788 1HB GLU 106 2HB GLU 106 3.905 -12.823 -6.870 789 2HB GLU 106 1HB GLU 106 5.066 -14.106 -7.208 790 1HG GLU 106 2HG GLU 106 5.251 -12.960 -4.492 791 2HG GLU 106 1HG GLU 106 3.751 -13.825 -4.829 792 H GLY 107 H GLY 107 6.214 -10.208 -8.307 793 1HA GLY 107 2HA GLY 107 6.745 -9.922 -10.578 794 2HA GLY 107 1HA GLY 107 7.957 -11.173 -10.285 795 H ASN 108 H ASN 108 4.398 -11.376 -10.192 796 HA ASN 108 HA ASN 108 4.491 -13.842 -11.760 797 1HB ASN 108 2HB ASN 108 2.442 -12.299 -10.271 798 2HB ASN 108 1HB ASN 108 1.848 -13.221 -11.653 799 1HD2 ASN 108 1HD2 ASN 108 2.421 -15.607 -11.670 800 2HD2 ASN 108 2HD2 ASN 108 2.637 -16.403 -10.188 801 H LEU 109 H LEU 109 2.617 -10.824 -12.274 802 HA LEU 109 HA LEU 109 3.586 -10.222 -14.852 803 1HB LEU 109 2HB LEU 109 1.759 -11.191 -16.275 804 2HB LEU 109 1HB LEU 109 2.804 -12.416 -15.564 805 HG LEU 109 HG LEU 109 0.719 -11.868 -13.695 806 1HD1 LEU 109 1HD1 LEU 109 -0.582 -12.928 -16.137 807 2HD1 LEU 109 2HD1 LEU 109 -0.239 -11.198 -16.151 808 3HD1 LEU 109 3HD1 LEU 109 -1.238 -11.889 -14.872 809 1HD2 LEU 109 1HD2 LEU 109 1.442 -14.207 -15.479 810 2HD2 LEU 109 2HD2 LEU 109 0.174 -14.296 -14.257 811 3HD2 LEU 109 3HD2 LEU 109 1.842 -13.987 -13.775 812 H GLU 110 H GLU 110 1.134 -9.489 -16.137 813 HA GLU 110 HA GLU 110 -0.597 -7.905 -16.035 814 1HB GLU 110 2HB GLU 110 -0.304 -7.938 -13.026 815 2HB GLU 110 1HB GLU 110 -1.724 -7.504 -13.976 816 1HG GLU 110 2HG GLU 110 -2.038 -9.784 -14.693 817 2HG GLU 110 1HG GLU 110 -0.494 -10.271 -13.991 818 H GLU 111 H GLU 111 2.302 -7.281 -16.082 819 HA GLU 111 HA GLU 111 2.311 -4.643 -14.692 820 1HB GLU 111 2HB GLU 111 4.697 -4.677 -14.875 821 2HB GLU 111 1HB GLU 111 4.225 -6.296 -14.359 822 1HG GLU 111 2HG GLU 111 4.132 -6.757 -16.963 823 2HG GLU 111 1HG GLU 111 5.232 -5.380 -17.029 824 H ILE 112 H ILE 112 2.713 -2.739 -15.887 825 HA ILE 112 HA ILE 112 2.913 -2.995 -18.841 826 HB ILE 112 HB ILE 112 0.927 -1.078 -17.629 827 1HG1 ILE 112 2HG1 ILE 112 0.349 -3.910 -18.558 828 2HG1 ILE 112 1HG1 ILE 112 0.360 -3.391 -16.871 829 1HG2 ILE 112 1HG2 ILE 112 0.084 -0.944 -19.828 830 2HG2 ILE 112 2HG2 ILE 112 0.839 -2.465 -20.305 831 3HG2 ILE 112 3HG2 ILE 112 1.830 -1.026 -20.063 832 1HD1 ILE 112 1HD1 ILE 112 -1.574 -2.126 -17.103 833 2HD1 ILE 112 2HD1 ILE 112 -1.905 -3.431 -18.240 834 3HD1 ILE 112 3HD1 ILE 112 -1.326 -1.874 -18.830 835 H ARG 113 H ARG 113 4.477 -1.623 -19.536 836 HA ARG 113 HA ARG 113 5.192 0.676 -17.763 837 1HB ARG 113 2HB ARG 113 6.827 -1.020 -19.656 838 2HB ARG 113 1HB ARG 113 7.404 0.542 -19.072 839 1HG ARG 113 2HG ARG 113 7.379 -0.184 -16.801 840 2HG ARG 113 1HG ARG 113 6.440 -1.624 -17.196 841 1HD ARG 113 2HD ARG 113 8.268 -2.705 -18.182 842 2HD ARG 113 1HD ARG 113 9.131 -1.195 -18.467 843 HE ARG 113 HE ARG 113 8.737 -2.215 -15.686 844 1HH1 ARG 113 2HH1 ARG 113 10.889 -2.183 -18.279 845 2HH1 ARG 113 1HH1 ARG 113 12.245 -1.609 -17.369 846 1HH2 ARG 113 1HH2 ARG 113 10.397 -1.001 -14.498 847 2HH2 ARG 113 2HH2 ARG 113 11.967 -0.940 -15.228 848 H SER 114 H SER 114 5.307 -0.198 -21.250 849 HA SER 114 HA SER 114 4.008 2.365 -21.899 850 1HB SER 114 2HB SER 114 6.538 1.907 -23.389 851 2HB SER 114 1HB SER 114 5.782 3.420 -22.896 852 HG SER 114 HG SER 114 6.480 2.993 -20.776 853 HA PRO 115 HA PRO 115 2.533 -0.200 -25.168 854 1HB PRO 115 2HB PRO 115 1.374 1.786 -26.670 855 2HB PRO 115 1HB PRO 115 0.664 1.153 -25.174 856 1HG PRO 115 2HG PRO 115 2.051 3.751 -25.641 857 2HG PRO 115 1HG PRO 115 0.827 3.334 -24.430 858 1HD PRO 115 2HD PRO 115 3.616 3.550 -23.972 859 2HD PRO 115 1HD PRO 115 2.425 2.833 -22.865 860 H GLY 116 H GLY 116 4.208 -0.983 -26.464 861 1HA GLY 116 2HA GLY 116 4.789 -0.266 -28.992 862 2HA GLY 116 1HA GLY 116 5.783 0.896 -28.112 863 H SER 117 H SER 117 7.860 0.205 -28.038 864 HA SER 117 HA SER 117 8.754 -2.090 -26.711 865 1HB SER 117 2HB SER 117 7.784 -2.653 -29.409 866 2HB SER 117 1HB SER 117 9.468 -3.126 -29.196 867 HG SER 117 HG SER 117 7.251 -4.306 -28.272 868 H GLY 118 H GLY 118 10.812 -1.506 -26.240 869 1HA GLY 118 2HA GLY 118 12.400 -0.134 -28.372 870 2HA GLY 118 1HA GLY 118 12.441 0.414 -26.696 871 H ARG 119 H ARG 119 14.729 -0.012 -26.583 872 HA ARG 119 HA ARG 119 15.314 -2.887 -26.102 873 1HB ARG 119 2HB ARG 119 16.750 -1.058 -28.018 874 2HB ARG 119 1HB ARG 119 17.606 -2.389 -27.239 875 1HG ARG 119 2HG ARG 119 15.795 -3.935 -28.064 876 2HG ARG 119 1HG ARG 119 15.141 -2.583 -28.990 877 1HD ARG 119 2HD ARG 119 16.691 -2.850 -30.604 878 2HD ARG 119 1HD ARG 119 17.998 -2.834 -29.420 879 HE ARG 119 HE ARG 119 17.987 -5.203 -29.438 880 1HH1 ARG 119 1HH2 ARG 119 14.959 -3.994 -30.499 881 2HH1 ARG 119 2HH2 ARG 119 14.519 -5.439 -31.348 882 1HH2 ARG 119 2HH1 ARG 119 17.539 -7.031 -30.742 883 2HH2 ARG 119 1HH1 ARG 119 15.980 -7.158 -31.485 884 H GLY 120 H GLY 120 17.522 -3.073 -24.965 885 1HA GLY 120 2HA GLY 120 18.720 -0.802 -23.706 886 2HA GLY 120 1HA GLY 120 17.533 -1.505 -22.607 887 H ARG 121 H ARG 121 18.268 -3.121 -21.316 888 HA ARG 121 HA ARG 121 20.438 -4.885 -22.312 889 1HB ARG 121 2HB ARG 121 20.855 -2.765 -20.446 890 2HB ARG 121 1HB ARG 121 20.985 -4.289 -19.566 891 1HG ARG 121 2HG ARG 121 23.113 -4.326 -20.366 892 2HG ARG 121 1HG ARG 121 22.361 -4.867 -21.867 893 1HD ARG 121 2HD ARG 121 22.718 -2.877 -22.912 894 2HD ARG 121 1HD ARG 121 22.341 -1.941 -21.465 895 HE ARG 121 HE ARG 121 24.998 -2.804 -22.297 896 1HH1 ARG 121 1HH2 ARG 121 24.660 -0.218 -20.984 897 2HH1 ARG 121 2HH2 ARG 121 25.188 -0.514 -19.360 898 1HH2 ARG 121 2HH1 ARG 121 24.939 -3.963 -19.624 899 2HH2 ARG 121 1HH1 ARG 121 25.346 -2.633 -18.591 900 H ARG 122 H ARG 122 19.079 -6.690 -22.275 901 HA ARG 122 HA ARG 122 17.522 -7.256 -19.823 902 1HB ARG 122 2HB ARG 122 17.020 -7.746 -22.478 903 2HB ARG 122 1HB ARG 122 17.617 -9.314 -21.932 904 1HG ARG 122 2HG ARG 122 15.505 -9.663 -21.192 905 2HG ARG 122 1HG ARG 122 15.938 -8.574 -19.872 906 1HD ARG 122 2HD ARG 122 15.048 -6.668 -21.068 907 2HD ARG 122 1HD ARG 122 14.783 -7.641 -22.514 908 HE ARG 122 HE ARG 122 12.928 -8.728 -21.390 909 1HH1 ARG 122 1HH2 ARG 122 12.968 -5.620 -20.691 910 2HH1 ARG 122 2HH2 ARG 122 12.373 -5.708 -19.067 911 1HH2 ARG 122 2HH1 ARG 122 12.822 -9.138 -18.806 912 2HH2 ARG 122 1HH1 ARG 122 12.290 -7.700 -18.000 913 H ARG 123 H ARG 123 20.124 -7.277 -19.116 914 HA ARG 123 HA ARG 123 21.812 -8.618 -18.188 915 1HB ARG 123 2HB ARG 123 19.367 -10.362 -18.115 916 2HB ARG 123 1HB ARG 123 20.928 -11.037 -17.648 917 1HG ARG 123 2HG ARG 123 20.300 -8.387 -16.488 918 2HG ARG 123 1HG ARG 123 19.288 -9.717 -15.924 919 1HD ARG 123 2HD ARG 123 21.015 -10.745 -14.840 920 2HD ARG 123 1HD ARG 123 22.191 -10.296 -16.075 921 HE ARG 123 HE ARG 123 22.433 -8.130 -14.984 922 1HH1 ARG 123 1HH2 ARG 123 21.580 -10.711 -13.047 923 2HH1 ARG 123 2HH2 ARG 123 21.066 -9.764 -11.691 924 1HH2 ARG 123 2HH1 ARG 123 21.245 -6.748 -13.392 925 2HH2 ARG 123 1HH1 ARG 123 20.877 -7.520 -11.886 926 H ARG 124 HN ARG 124 22.312 -8.344 -20.773 927 HA ARG 124 HA ARG 124 22.368 -10.922 -22.172 928 1HB ARG 124 2HB ARG 124 22.386 -8.294 -23.006 929 2HB ARG 124 1HB ARG 124 24.072 -8.764 -23.218 930 1HG ARG 124 2HG ARG 124 21.686 -10.298 -24.293 931 2HG ARG 124 1HG ARG 124 22.727 -9.240 -25.247 932 1HD ARG 124 2HD ARG 124 23.816 -11.575 -23.666 933 2HD ARG 124 1HD ARG 124 23.278 -11.738 -25.338 934 HE ARG 124 HE ARG 124 25.175 -9.556 -24.977 935 1HH1 ARG 124 1HH1 ARG 124 25.029 -11.227 -27.438 936 2HH1 ARG 124 2HH1 ARG 124 26.441 -12.220 -27.299 937 1HH2 ARG 124 1HH2 ARG 124 26.888 -11.575 -23.921 938 2HH2 ARG 124 2HH2 ARG 124 27.494 -12.416 -25.308 Start of MODEL 14 1 1H MET 1 1H MET 1 9.318 2.430 -4.898 2 2H MET 1 2H MET 1 9.187 1.646 -3.396 3 3H MET 1 3H MET 1 7.995 2.752 -3.888 4 HA MET 1 HA MET 1 7.620 1.198 -5.857 5 1HB MET 1 2HB MET 1 9.333 -0.429 -3.988 6 2HB MET 1 1HB MET 1 8.138 -1.216 -5.019 7 1HG MET 1 2HG MET 1 9.521 0.645 -6.653 8 2HG MET 1 1HG MET 1 10.744 -0.231 -5.734 9 1HE MET 1 1HE MET 1 11.389 -2.620 -6.015 10 2HE MET 1 2HE MET 1 10.282 -3.878 -6.557 11 3HE MET 1 3HE MET 1 9.882 -2.916 -5.136 12 H LYS 2 H LYS 2 5.565 1.924 -5.091 13 HA LYS 2 HA LYS 2 4.485 0.385 -2.763 14 1HB LYS 2 2HB LYS 2 3.222 2.873 -3.908 15 2HB LYS 2 1HB LYS 2 3.038 2.189 -2.293 16 1HG LYS 2 2HG LYS 2 5.746 2.613 -2.402 17 2HG LYS 2 1HG LYS 2 5.135 3.973 -3.345 18 1HD LYS 2 2HD LYS 2 3.879 4.818 -1.552 19 2HD LYS 2 1HD LYS 2 3.881 3.274 -0.699 20 1HE LYS 2 2HE LYS 2 6.383 3.529 -0.431 21 2HE LYS 2 1HE LYS 2 6.216 5.167 -1.062 22 1HZ LYS 2 1HZ LYS 2 4.282 4.924 0.874 23 2HZ LYS 2 2HZ LYS 2 5.739 5.790 0.994 24 3HZ LYS 2 3HZ LYS 2 5.654 4.183 1.542 25 H ILE 3 H ILE 3 2.531 -0.749 -3.056 26 HA ILE 3 HA ILE 3 1.530 -0.830 -5.874 27 HB ILE 3 HB ILE 3 1.891 -3.074 -3.876 28 1HG1 ILE 3 2HG1 ILE 3 2.786 -3.479 -6.615 29 2HG1 ILE 3 1HG1 ILE 3 3.521 -2.037 -5.912 30 1HG2 ILE 3 1HG2 ILE 3 0.935 -4.420 -5.910 31 2HG2 ILE 3 2HG2 ILE 3 0.207 -2.879 -6.363 32 3HG2 ILE 3 3HG2 ILE 3 -0.189 -3.618 -4.812 33 1HD1 ILE 3 1HD1 ILE 3 4.335 -3.306 -4.013 34 2HD1 ILE 3 2HD1 ILE 3 4.830 -4.140 -5.485 35 3HD1 ILE 3 3HD1 ILE 3 3.462 -4.742 -4.548 36 H ALA 4 H ALA 4 -0.383 0.269 -5.801 37 HA ALA 4 HA ALA 4 -2.242 -0.288 -3.532 38 1HB ALA 4 1HB ALA 4 -1.644 2.111 -4.008 39 2HB ALA 4 2HB ALA 4 -3.371 1.777 -4.137 40 3HB ALA 4 3HB ALA 4 -2.391 1.932 -5.595 41 H ILE 5 H ILE 5 -3.620 -1.931 -4.071 42 HA ILE 5 HA ILE 5 -4.441 -2.213 -6.916 43 HB ILE 5 HB ILE 5 -5.161 -4.159 -4.740 44 1HG1 ILE 5 2HG1 ILE 5 -2.802 -5.089 -5.941 45 2HG1 ILE 5 1HG1 ILE 5 -2.473 -3.400 -5.554 46 1HG2 ILE 5 1HG2 ILE 5 -4.284 -5.388 -7.127 47 2HG2 ILE 5 2HG2 ILE 5 -5.270 -4.012 -7.624 48 3HG2 ILE 5 3HG2 ILE 5 -5.945 -5.240 -6.552 49 1HD1 ILE 5 1HD1 ILE 5 -1.959 -5.077 -3.700 50 2HD1 ILE 5 2HD1 ILE 5 -3.702 -5.315 -3.560 51 3HD1 ILE 5 3HD1 ILE 5 -3.000 -3.728 -3.245 52 H ALA 6 H ALA 6 -6.503 -1.736 -7.542 53 HA ALA 6 HA ALA 6 -8.302 -0.372 -5.779 54 1HB ALA 6 1HB ALA 6 -8.123 -0.569 -8.468 55 2HB ALA 6 2HB ALA 6 -9.597 -0.053 -7.649 56 3HB ALA 6 3HB ALA 6 -9.424 -1.726 -8.179 57 H SER 7 H SER 7 -10.039 -1.146 -4.579 58 HA SER 7 HA SER 7 -10.529 -4.094 -4.712 59 1HB SER 7 2HB SER 7 -9.205 -3.373 -2.686 60 2HB SER 7 1HB SER 7 -10.596 -2.410 -2.194 61 HG SER 7 HG SER 7 -11.211 -4.222 -1.311 62 H SER 8 H SER 8 -12.700 -4.597 -3.532 63 HA SER 8 HA SER 8 -14.680 -2.469 -4.237 64 1HB SER 8 2HB SER 8 -15.522 -3.945 -5.724 65 2HB SER 8 1HB SER 8 -14.451 -5.219 -5.149 66 HG SER 8 HG SER 8 -16.689 -5.687 -4.827 67 H GLY 9 H GLY 9 -13.760 -5.062 -2.036 68 1HA GLY 9 2HA GLY 9 -15.923 -4.153 -0.177 69 2HA GLY 9 1HA GLY 9 -15.256 -5.786 -0.177 70 H THR 10 H THR 10 -13.009 -6.049 0.536 71 HA THR 10 HA THR 10 -11.538 -3.842 1.683 72 HB THR 10 HB THR 10 -11.846 -5.180 4.052 73 HG1 THR 10 HG1 THR 10 -14.473 -4.875 3.159 74 1HG2 THR 10 1HG2 THR 10 -12.192 -3.024 4.579 75 2HG2 THR 10 2HG2 THR 10 -13.850 -3.174 3.997 76 3HG2 THR 10 3HG2 THR 10 -12.574 -2.650 2.898 77 H ASP 11 H ASP 11 -12.075 -7.297 2.493 78 HA ASP 11 HA ASP 11 -9.334 -7.882 1.519 79 1HB ASP 11 2HB ASP 11 -10.295 -8.140 4.354 80 2HB ASP 11 1HB ASP 11 -9.123 -9.301 3.730 81 H LEU 12 H LEU 12 -12.121 -9.373 3.214 82 HA LEU 12 HA LEU 12 -11.687 -11.931 1.895 83 1HB LEU 12 2HB LEU 12 -14.053 -10.871 3.470 84 2HB LEU 12 1HB LEU 12 -13.859 -12.545 2.950 85 HG LEU 12 HG LEU 12 -11.440 -11.736 4.239 86 1HD1 LEU 12 1HD1 LEU 12 -12.640 -11.476 6.562 87 2HD1 LEU 12 2HD1 LEU 12 -13.991 -10.897 5.588 88 3HD1 LEU 12 3HD1 LEU 12 -12.439 -10.062 5.527 89 1HD2 LEU 12 1HD2 LEU 12 -11.957 -13.629 5.677 90 2HD2 LEU 12 2HD2 LEU 12 -12.445 -14.032 4.031 91 3HD2 LEU 12 3HD2 LEU 12 -13.659 -13.559 5.220 92 H GLY 13 H GLY 13 -13.890 -9.184 1.438 93 1HA GLY 13 2HA GLY 13 -15.030 -10.546 -0.951 94 2HA GLY 13 1HA GLY 13 -15.717 -9.124 -0.165 95 H SER 14 H SER 14 -12.307 -9.056 -0.577 96 HA SER 14 HA SER 14 -12.526 -6.781 -2.387 97 1HB SER 14 2HB SER 14 -10.109 -6.661 -2.203 98 2HB SER 14 1HB SER 14 -10.771 -6.986 -0.603 99 HG SER 14 HG SER 14 -9.566 -8.698 -0.626 100 H GLU 15 H GLU 15 -13.624 -7.997 -4.160 101 HA GLU 15 HA GLU 15 -12.120 -10.051 -5.583 102 1HB GLU 15 2HB GLU 15 -14.700 -9.671 -5.529 103 2HB GLU 15 1HB GLU 15 -14.387 -8.465 -6.778 104 1HG GLU 15 2HG GLU 15 -13.223 -10.187 -8.130 105 2HG GLU 15 1HG GLU 15 -13.589 -11.390 -6.893 106 H VAL 16 H VAL 16 -11.631 -6.800 -5.284 107 HA VAL 16 HA VAL 16 -10.181 -5.376 -6.472 108 HB VAL 16 HB VAL 16 -9.957 -7.452 -8.642 109 1HG1 VAL 16 1HG1 VAL 16 -8.877 -5.043 -8.545 110 2HG1 VAL 16 2HG1 VAL 16 -7.923 -6.416 -9.106 111 3HG1 VAL 16 3HG1 VAL 16 -7.732 -5.825 -7.455 112 1HG2 VAL 16 1HG2 VAL 16 -8.911 -7.549 -5.826 113 2HG2 VAL 16 2HG2 VAL 16 -7.937 -8.219 -7.135 114 3HG2 VAL 16 3HG2 VAL 16 -9.550 -8.858 -6.820 115 H SER 17 H SER 17 -12.365 -4.296 -6.771 116 HA SER 17 HA SER 17 -14.082 -4.590 -8.940 117 1HB SER 17 2HB SER 17 -14.111 -2.833 -7.023 118 2HB SER 17 1HB SER 17 -13.140 -1.847 -8.112 119 HG SER 17 HG SER 17 -14.956 -2.563 -9.665 120 H ARG 18 H ARG 18 -14.124 -3.692 -11.084 121 HA ARG 18 HA ARG 18 -11.391 -3.221 -12.187 122 1HB ARG 18 2HB ARG 18 -12.242 -3.979 -14.300 123 2HB ARG 18 1HB ARG 18 -12.828 -5.117 -13.086 124 1HG ARG 18 2HG ARG 18 -14.822 -3.247 -13.058 125 2HG ARG 18 1HG ARG 18 -14.336 -3.202 -14.753 126 1HD ARG 18 2HD ARG 18 -14.958 -5.760 -13.253 127 2HD ARG 18 1HD ARG 18 -16.133 -4.897 -14.247 128 HE ARG 18 HE ARG 18 -14.279 -5.223 -16.098 129 1HH1 ARG 18 2HH1 ARG 18 -15.779 -7.398 -13.949 130 2HH1 ARG 18 1HH1 ARG 18 -15.010 -8.807 -14.597 131 1HH2 ARG 18 1HH2 ARG 18 -12.973 -7.024 -16.765 132 2HH2 ARG 18 2HH2 ARG 18 -13.421 -8.596 -16.192 133 H PHE 19 H PHE 19 -13.005 -1.136 -10.848 134 HA PHE 19 HA PHE 19 -13.421 0.676 -13.193 135 1HB PHE 19 2HB PHE 19 -14.818 0.603 -10.506 136 2HB PHE 19 1HB PHE 19 -14.962 1.950 -11.637 137 HD1 PHE 19 HD1 PHE 19 -15.385 -1.762 -11.397 138 HD2 PHE 19 HD2 PHE 19 -16.522 1.869 -13.395 139 HE1 PHE 19 HE1 PHE 19 -17.125 -3.002 -12.659 140 HE2 PHE 19 HE2 PHE 19 -18.263 0.629 -14.657 141 HZ PHE 19 HZ PHE 19 -18.564 -1.806 -14.289 142 H PHE 20 H PHE 20 -11.760 2.100 -13.313 143 HA PHE 20 HA PHE 20 -10.239 2.776 -10.869 144 1HB PHE 20 2HB PHE 20 -9.041 2.220 -12.987 145 2HB PHE 20 1HB PHE 20 -9.775 3.637 -13.741 146 HD1 PHE 20 HD1 PHE 20 -8.176 5.321 -13.986 147 HD2 PHE 20 HD2 PHE 20 -8.282 3.034 -10.350 148 HE1 PHE 20 HE1 PHE 20 -6.389 6.755 -13.032 149 HE2 PHE 20 HE2 PHE 20 -6.496 4.467 -9.396 150 HZ PHE 20 HZ PHE 20 -5.549 6.328 -10.737 151 H GLY 21 H GLY 21 -12.114 3.986 -9.961 152 1HA GLY 21 2HA GLY 21 -11.914 6.686 -9.842 153 2HA GLY 21 1HA GLY 21 -12.860 6.489 -11.319 154 H ARG 22 H ARG 22 -14.016 3.946 -10.043 155 HA ARG 22 HA ARG 22 -16.042 5.369 -8.368 156 1HB ARG 22 2HB ARG 22 -16.419 3.858 -10.663 157 2HB ARG 22 1HB ARG 22 -16.786 2.716 -9.370 158 1HG ARG 22 2HG ARG 22 -18.298 4.445 -8.356 159 2HG ARG 22 1HG ARG 22 -18.026 5.450 -9.780 160 1HD ARG 22 2HD ARG 22 -18.955 2.603 -10.087 161 2HD ARG 22 1HD ARG 22 -20.114 3.886 -9.740 162 HE ARG 22 HE ARG 22 -19.089 3.378 -12.301 163 1HH1 ARG 22 2HH1 ARG 22 -21.134 5.512 -11.544 164 2HH1 ARG 22 1HH1 ARG 22 -20.339 6.948 -12.098 165 1HH2 ARG 22 1HH2 ARG 22 -17.232 5.434 -12.385 166 2HH2 ARG 22 2HH2 ARG 22 -18.130 6.904 -12.575 167 H ALA 23 H ALA 23 -14.133 2.391 -8.679 168 HA ALA 23 HA ALA 23 -14.941 0.875 -6.532 169 1HB ALA 23 1HB ALA 23 -13.010 0.327 -8.004 170 2HB ALA 23 2HB ALA 23 -12.631 0.108 -6.295 171 3HB ALA 23 3HB ALA 23 -12.048 1.535 -7.151 172 HA PRO 24 HA PRO 24 -14.390 4.054 -3.355 173 1HB PRO 24 2HB PRO 24 -16.332 3.020 -1.709 174 2HB PRO 24 1HB PRO 24 -16.677 4.110 -3.063 175 1HG PRO 24 2HG PRO 24 -17.140 1.174 -2.856 176 2HG PRO 24 1HG PRO 24 -17.972 2.374 -3.860 177 1HD PRO 24 2HD PRO 24 -15.972 0.558 -4.733 178 2HD PRO 24 1HD PRO 24 -16.606 1.944 -5.645 179 H TYR 25 H TYR 25 -12.617 1.748 -3.559 180 HA TYR 25 HA TYR 25 -12.003 1.407 -0.725 181 1HB TYR 25 2HB TYR 25 -13.397 -0.691 -2.249 182 2HB TYR 25 1HB TYR 25 -11.922 -1.247 -1.455 183 HD1 TYR 25 HD1 TYR 25 -11.763 0.366 0.952 184 HD2 TYR 25 HD2 TYR 25 -15.212 -1.378 -0.925 185 HE1 TYR 25 HE1 TYR 25 -12.941 0.349 3.135 186 HE2 TYR 25 HE2 TYR 25 -16.391 -1.396 1.258 187 HH TYR 25 HH TYR 25 -14.825 -0.119 4.201 188 H PHE 26 H PHE 26 -10.223 2.632 -1.942 189 HA PHE 26 HA PHE 26 -8.506 1.047 -3.698 190 1HB PHE 26 2HB PHE 26 -8.837 3.768 -3.173 191 2HB PHE 26 1HB PHE 26 -7.254 3.391 -2.491 192 HD1 PHE 26 HD1 PHE 26 -5.476 3.729 -3.945 193 HD2 PHE 26 HD2 PHE 26 -9.232 2.352 -5.517 194 HE1 PHE 26 HE1 PHE 26 -4.502 3.679 -6.227 195 HE2 PHE 26 HE2 PHE 26 -8.259 2.302 -7.799 196 HZ PHE 26 HZ PHE 26 -5.893 2.965 -8.153 197 H MET 27 H MET 27 -7.187 -0.512 -2.891 198 HA MET 27 HA MET 27 -6.335 -0.347 -0.053 199 1HB MET 27 2HB MET 27 -7.261 -2.487 -0.772 200 2HB MET 27 1HB MET 27 -6.107 -2.572 -2.104 201 1HG MET 27 2HG MET 27 -4.260 -2.834 -0.622 202 2HG MET 27 1HG MET 27 -5.220 -2.358 0.778 203 1HE MET 27 1HE MET 27 -5.148 -5.202 2.367 204 2HE MET 27 2HE MET 27 -6.853 -4.789 2.198 205 3HE MET 27 3HE MET 27 -5.644 -3.509 2.237 206 H ILE 28 H ILE 28 -4.554 0.976 0.101 207 HA ILE 28 HA ILE 28 -2.404 0.682 -1.937 208 HB ILE 28 HB ILE 28 -2.633 2.742 0.274 209 1HG1 ILE 28 2HG1 ILE 28 -3.525 2.866 -2.626 210 2HG1 ILE 28 1HG1 ILE 28 -4.580 2.900 -1.213 211 1HG2 ILE 28 1HG2 ILE 28 -0.383 2.311 -0.798 212 2HG2 ILE 28 2HG2 ILE 28 -0.985 3.956 -1.006 213 3HG2 ILE 28 3HG2 ILE 28 -1.093 2.804 -2.336 214 1HD1 ILE 28 1HD1 ILE 28 -4.330 5.130 -1.089 215 2HD1 ILE 28 2HD1 ILE 28 -3.245 5.094 -2.480 216 3HD1 ILE 28 3HD1 ILE 28 -2.596 4.913 -0.850 217 H VAL 29 H VAL 29 -0.614 -0.474 -1.429 218 HA VAL 29 HA VAL 29 -0.010 -0.907 1.471 219 HB VAL 29 HB VAL 29 0.290 -2.858 -0.834 220 1HG1 VAL 29 1HG1 VAL 29 2.112 -2.794 1.019 221 2HG1 VAL 29 2HG1 VAL 29 1.358 -4.345 0.651 222 3HG1 VAL 29 3HG1 VAL 29 0.850 -3.434 2.072 223 1HG2 VAL 29 1HG2 VAL 29 -1.167 -3.827 1.447 224 2HG2 VAL 29 2HG2 VAL 29 -1.739 -3.613 -0.208 225 3HG2 VAL 29 3HG2 VAL 29 -1.858 -2.283 0.945 226 H GLU 30 H GLU 30 1.884 0.077 1.963 227 HA GLU 30 HA GLU 30 3.781 0.783 -0.166 228 1HB GLU 30 2HB GLU 30 4.163 1.163 2.811 229 2HB GLU 30 1HB GLU 30 4.908 2.074 1.497 230 1HG GLU 30 2HG GLU 30 2.929 3.229 1.000 231 2HG GLU 30 1HG GLU 30 1.913 2.017 1.782 232 H MET 31 H MET 31 5.254 -0.694 -0.832 233 HA MET 31 HA MET 31 6.094 -2.838 1.045 234 1HB MET 31 2HB MET 31 5.862 -2.564 -1.873 235 2HB MET 31 1HB MET 31 7.358 -3.343 -1.355 236 1HG MET 31 2HG MET 31 5.613 -4.613 0.267 237 2HG MET 31 1HG MET 31 4.550 -4.280 -1.101 238 1HE MET 31 1HE MET 31 4.589 -7.400 -1.711 239 2HE MET 31 2HE MET 31 4.909 -6.795 -3.334 240 3HE MET 31 3HE MET 31 3.991 -5.808 -2.200 241 H LYS 32 H LYS 32 8.199 -2.998 1.784 242 HA LYS 32 HA LYS 32 9.960 -0.675 1.219 243 1HB LYS 32 2HB LYS 32 9.439 -1.382 3.591 244 2HB LYS 32 1HB LYS 32 10.334 -2.869 3.278 245 1HG LYS 32 2HG LYS 32 12.219 -1.768 3.826 246 2HG LYS 32 1HG LYS 32 12.001 -0.788 2.376 247 1HD LYS 32 2HD LYS 32 10.321 0.559 3.890 248 2HD LYS 32 1HD LYS 32 11.237 -0.167 5.212 249 1HE LYS 32 2HE LYS 32 12.405 1.830 4.815 250 2HE LYS 32 1HE LYS 32 13.331 0.650 3.889 251 1HZ LYS 32 1HZ LYS 32 12.063 1.280 1.918 252 2HZ LYS 32 2HZ LYS 32 12.895 2.609 2.571 253 3HZ LYS 32 3HZ LYS 32 11.222 2.445 2.818 254 H LYS 33 H LYS 33 10.443 -4.195 1.695 255 HA LYS 33 HA LYS 33 12.209 -4.191 -0.699 256 1HB LYS 33 2HB LYS 33 13.068 -4.484 2.060 257 2HB LYS 33 1HB LYS 33 13.434 -5.938 1.130 258 1HG LYS 33 2HG LYS 33 15.269 -4.798 0.438 259 2HG LYS 33 1HG LYS 33 14.150 -3.947 -0.627 260 1HD LYS 33 2HD LYS 33 14.339 -2.023 0.546 261 2HD LYS 33 1HD LYS 33 14.159 -2.858 2.089 262 1HE LYS 33 2HE LYS 33 16.625 -3.710 1.445 263 2HE LYS 33 1HE LYS 33 16.635 -2.171 0.584 264 1HZ LYS 33 1HZ LYS 33 17.288 -2.358 3.118 265 2HZ LYS 33 2HZ LYS 33 15.611 -2.180 3.318 266 3HZ LYS 33 3HZ LYS 33 16.501 -0.990 2.495 267 H GLY 34 H GLY 34 10.521 -5.378 -1.758 268 1HA GLY 34 2HA GLY 34 9.217 -7.277 -2.262 269 2HA GLY 34 1HA GLY 34 10.671 -8.153 -1.775 270 H ASN 35 H ASN 35 8.881 -6.102 0.441 271 HA ASN 35 HA ASN 35 7.536 -8.428 1.669 272 1HB ASN 35 2HB ASN 35 10.021 -7.299 2.672 273 2HB ASN 35 1HB ASN 35 8.727 -7.146 3.862 274 1HD2 ASN 35 1HD2 ASN 35 11.141 -9.224 2.977 275 2HD2 ASN 35 2HD2 ASN 35 10.445 -10.697 3.454 276 H ILE 36 H ILE 36 5.497 -7.651 1.916 277 HA ILE 36 HA ILE 36 4.721 -4.941 1.893 278 HB ILE 36 HB ILE 36 3.395 -7.360 3.146 279 1HG1 ILE 36 2HG1 ILE 36 1.968 -6.254 0.952 280 2HG1 ILE 36 1HG1 ILE 36 3.663 -6.331 0.471 281 1HG2 ILE 36 1HG2 ILE 36 2.648 -4.482 3.151 282 2HG2 ILE 36 2HG2 ILE 36 2.220 -5.757 4.291 283 3HG2 ILE 36 3HG2 ILE 36 1.362 -5.623 2.756 284 1HD1 ILE 36 1HD1 ILE 36 1.832 -8.463 0.523 285 2HD1 ILE 36 2HD1 ILE 36 2.900 -8.734 1.899 286 3HD1 ILE 36 3HD1 ILE 36 3.574 -8.574 0.277 287 H GLU 37 H GLU 37 4.758 -3.348 3.427 288 HA GLU 37 HA GLU 37 5.235 -4.151 6.263 289 1HB GLU 37 2HB GLU 37 7.235 -3.126 4.733 290 2HB GLU 37 1HB GLU 37 6.519 -1.638 5.353 291 1HG GLU 37 2HG GLU 37 7.059 -2.122 7.545 292 2HG GLU 37 1HG GLU 37 6.979 -3.865 7.289 293 H SER 38 H SER 38 3.024 -2.913 4.364 294 HA SER 38 HA SER 38 1.724 -1.390 6.422 295 1HB SER 38 2HB SER 38 3.582 0.064 4.777 296 2HB SER 38 1HB SER 38 1.947 0.616 4.424 297 HG SER 38 HG SER 38 3.478 1.018 6.620 298 H SER 39 H SER 39 -0.344 -1.978 5.997 299 HA SER 39 HA SER 39 -1.269 -1.866 3.158 300 1HB SER 39 2HB SER 39 -2.816 -3.812 3.878 301 2HB SER 39 1HB SER 39 -1.126 -4.188 3.554 302 HG SER 39 HG SER 39 -2.386 -3.769 6.063 303 H GLU 40 H GLU 40 -2.525 -0.041 3.244 304 HA GLU 40 HA GLU 40 -4.625 0.048 5.375 305 1HB GLU 40 2HB GLU 40 -2.640 2.013 4.643 306 2HB GLU 40 1HB GLU 40 -4.255 2.656 4.343 307 1HG GLU 40 2HG GLU 40 -4.910 2.409 6.586 308 2HG GLU 40 1HG GLU 40 -3.642 1.230 6.923 309 H VAL 41 H VAL 41 -6.722 0.407 4.659 310 HA VAL 41 HA VAL 41 -7.061 0.656 1.696 311 HB VAL 41 HB VAL 41 -8.816 -0.694 3.769 312 1HG1 VAL 41 1HG1 VAL 41 -9.666 0.588 1.463 313 2HG1 VAL 41 2HG1 VAL 41 -10.529 -0.710 2.288 314 3HG1 VAL 41 3HG1 VAL 41 -9.458 -1.082 0.935 315 1HG2 VAL 41 1HG2 VAL 41 -7.544 -1.918 1.320 316 2HG2 VAL 41 2HG2 VAL 41 -8.162 -2.730 2.758 317 3HG2 VAL 41 3HG2 VAL 41 -6.663 -1.807 2.844 318 H ILE 42 H ILE 42 -7.847 2.615 1.106 319 HA ILE 42 HA ILE 42 -9.610 4.056 3.050 320 HB ILE 42 HB ILE 42 -8.124 5.511 0.893 321 1HG1 ILE 42 2HG1 ILE 42 -6.874 4.811 3.563 322 2HG1 ILE 42 1HG1 ILE 42 -6.503 3.942 2.074 323 1HG2 ILE 42 1HG2 ILE 42 -8.347 6.439 3.713 324 2HG2 ILE 42 2HG2 ILE 42 -9.849 6.325 2.796 325 3HG2 ILE 42 3HG2 ILE 42 -8.535 7.346 2.212 326 1HD1 ILE 42 1HD1 ILE 42 -6.135 6.435 1.169 327 2HD1 ILE 42 2HD1 ILE 42 -4.845 5.536 1.967 328 3HD1 ILE 42 3HD1 ILE 42 -5.783 6.724 2.873 329 H GLU 43 H GLU 43 -11.528 4.936 2.225 330 HA GLU 43 HA GLU 43 -12.397 3.846 -0.369 331 1HB GLU 43 2HB GLU 43 -13.817 5.429 1.790 332 2HB GLU 43 1HB GLU 43 -14.593 4.931 0.286 333 1HG GLU 43 2HG GLU 43 -15.122 3.043 1.437 334 2HG GLU 43 1HG GLU 43 -13.452 2.580 1.108 335 H ASN 44 H ASN 44 -12.063 4.994 -2.208 336 HA ASN 44 HA ASN 44 -10.957 7.516 -2.464 337 1HB ASN 44 2HB ASN 44 -12.152 5.670 -4.204 338 2HB ASN 44 1HB ASN 44 -13.036 7.175 -4.467 339 1HD2 ASN 44 1HD2 ASN 44 -12.081 7.962 -6.383 340 2HD2 ASN 44 2HD2 ASN 44 -10.417 8.242 -6.568 341 HA PRO 45 HA PRO 45 -14.089 10.250 -0.971 342 1HB PRO 45 2HB PRO 45 -12.955 12.580 -1.884 343 2HB PRO 45 1HB PRO 45 -12.364 11.697 -0.465 344 1HG PRO 45 2HG PRO 45 -11.173 11.877 -3.191 345 2HG PRO 45 1HG PRO 45 -10.380 11.566 -1.639 346 1HD PRO 45 2HD PRO 45 -11.032 9.622 -3.598 347 2HD PRO 45 1HD PRO 45 -10.522 9.297 -1.927 348 H SER 46 H SER 46 -13.109 10.153 -4.343 349 HA SER 46 HA SER 46 -15.737 11.381 -5.085 350 1HB SER 46 2HB SER 46 -13.326 11.326 -6.895 351 2HB SER 46 1HB SER 46 -14.746 12.365 -6.990 352 HG SER 46 HG SER 46 -14.013 13.527 -5.292 353 H ALA 47 H ALA 47 -15.508 8.622 -4.513 354 HA ALA 47 HA ALA 47 -14.949 6.965 -6.751 355 1HB ALA 47 1HB ALA 47 -15.424 5.492 -5.106 356 2HB ALA 47 2HB ALA 47 -17.129 5.778 -5.456 357 3HB ALA 47 3HB ALA 47 -16.321 6.705 -4.193 358 H SER 48 H SER 48 -18.272 7.685 -5.649 359 HA SER 48 HA SER 48 -19.083 7.710 -8.522 360 1HB SER 48 2HB SER 48 -21.162 7.625 -6.410 361 2HB SER 48 1HB SER 48 -21.050 6.718 -7.916 362 HG SER 48 HG SER 48 -19.662 5.308 -6.960 363 H ALA 49 H ALA 49 -18.082 10.019 -8.290 364 HA ALA 49 HA ALA 49 -20.198 11.882 -7.286 365 1HB ALA 49 1HB ALA 49 -18.254 12.378 -6.044 366 2HB ALA 49 2HB ALA 49 -18.216 13.561 -7.352 367 3HB ALA 49 3HB ALA 49 -17.195 12.126 -7.432 368 H SER 50 H SER 50 -20.920 13.497 -8.705 369 HA SER 50 HA SER 50 -20.738 12.972 -11.513 370 1HB SER 50 2HB SER 50 -22.007 15.002 -11.804 371 2HB SER 50 1HB SER 50 -22.600 14.221 -10.342 372 HG SER 50 HG SER 50 -21.767 16.648 -10.528 373 H GLY 51 H GLY 51 -20.103 15.062 -12.967 374 1HA GLY 51 2HA GLY 51 -18.432 16.841 -13.259 375 2HA GLY 51 1HA GLY 51 -17.450 16.054 -12.023 376 H GLY 52 H GLY 52 -17.945 13.359 -13.143 377 1HA GLY 52 2HA GLY 52 -17.180 13.157 -15.865 378 2HA GLY 52 1HA GLY 52 -15.702 13.197 -14.903 379 H ALA 53 H ALA 53 -15.576 10.927 -15.899 380 HA ALA 53 HA ALA 53 -17.374 8.898 -14.841 381 1HB ALA 53 1HB ALA 53 -16.346 8.375 -16.924 382 2HB ALA 53 2HB ALA 53 -15.550 7.334 -15.745 383 3HB ALA 53 3HB ALA 53 -14.741 8.790 -16.322 384 H GLY 54 H GLY 54 -14.654 10.572 -13.618 385 1HA GLY 54 2HA GLY 54 -14.197 10.316 -11.196 386 2HA GLY 54 1HA GLY 54 -14.465 8.583 -11.392 387 H ILE 55 H ILE 55 -12.725 10.149 -13.920 388 HA ILE 55 HA ILE 55 -10.359 8.545 -13.357 389 HB ILE 55 HB ILE 55 -10.845 10.732 -15.404 390 1HG1 ILE 55 2HG1 ILE 55 -12.330 8.888 -15.814 391 2HG1 ILE 55 1HG1 ILE 55 -10.982 8.700 -16.935 392 1HG2 ILE 55 1HG2 ILE 55 -8.613 10.611 -15.725 393 2HG2 ILE 55 2HG2 ILE 55 -8.880 8.973 -16.321 394 3HG2 ILE 55 3HG2 ILE 55 -8.464 9.238 -14.628 395 1HD1 ILE 55 1HD1 ILE 55 -9.929 7.251 -15.030 396 2HD1 ILE 55 2HD1 ILE 55 -11.188 6.544 -16.042 397 3HD1 ILE 55 3HD1 ILE 55 -11.585 7.146 -14.432 398 H ARG 56 H ARG 56 -11.454 11.640 -12.400 399 HA ARG 56 HA ARG 56 -9.027 13.098 -12.205 400 1HB ARG 56 2HB ARG 56 -10.180 14.306 -10.319 401 2HB ARG 56 1HB ARG 56 -11.150 14.194 -11.788 402 1HG ARG 56 2HG ARG 56 -11.961 11.928 -10.621 403 2HG ARG 56 1HG ARG 56 -11.515 12.818 -9.166 404 1HD ARG 56 2HD ARG 56 -13.104 14.305 -11.193 405 2HD ARG 56 1HD ARG 56 -13.949 13.036 -10.305 406 HE ARG 56 HE ARG 56 -13.417 14.239 -8.223 407 1HH1 ARG 56 1HH2 ARG 56 -14.931 16.246 -9.807 408 2HH1 ARG 56 2HH2 ARG 56 -13.902 17.638 -9.733 409 1HH2 ARG 56 2HH1 ARG 56 -11.109 15.847 -8.727 410 2HH2 ARG 56 1HH1 ARG 56 -11.738 17.411 -9.120 411 H THR 57 H THR 57 -10.079 10.303 -10.496 412 HA THR 57 HA THR 57 -8.678 10.658 -8.029 413 HB THR 57 HB THR 57 -10.336 8.875 -8.332 414 HG1 THR 57 HG1 THR 57 -8.915 7.104 -7.619 415 1HG2 THR 57 1HG2 THR 57 -9.769 6.905 -9.723 416 2HG2 THR 57 2HG2 THR 57 -8.301 7.722 -10.260 417 3HG2 THR 57 3HG2 THR 57 -9.883 8.374 -10.689 418 H ALA 58 H ALA 58 -7.645 9.406 -11.182 419 HA ALA 58 HA ALA 58 -5.194 8.257 -10.591 420 1HB ALA 58 1HB ALA 58 -4.496 8.800 -12.807 421 2HB ALA 58 2HB ALA 58 -5.514 10.239 -12.852 422 3HB ALA 58 3HB ALA 58 -6.250 8.637 -12.892 423 H GLN 59 H GLN 59 -5.989 11.703 -10.586 424 HA GLN 59 HA GLN 59 -3.333 12.720 -10.396 425 1HB GLN 59 2HB GLN 59 -5.709 13.912 -10.619 426 2HB GLN 59 1HB GLN 59 -5.531 14.051 -8.869 427 1HG GLN 59 2HG GLN 59 -4.139 15.792 -9.162 428 2HG GLN 59 1HG GLN 59 -3.022 14.734 -10.028 429 1HE2 GLN 59 1HE2 GLN 59 -2.644 16.827 -11.335 430 2HE2 GLN 59 2HE2 GLN 59 -3.690 17.135 -12.635 431 H ILE 60 H ILE 60 -5.663 12.396 -7.688 432 HA ILE 60 HA ILE 60 -3.731 12.728 -5.637 433 HB ILE 60 HB ILE 60 -6.167 12.862 -5.248 434 1HG1 ILE 60 2HG1 ILE 60 -5.690 10.656 -3.435 435 2HG1 ILE 60 1HG1 ILE 60 -4.230 11.632 -3.601 436 1HG2 ILE 60 1HG2 ILE 60 -6.982 10.248 -4.873 437 2HG2 ILE 60 2HG2 ILE 60 -6.013 10.142 -6.342 438 3HG2 ILE 60 3HG2 ILE 60 -7.386 11.247 -6.268 439 1HD1 ILE 60 1HD1 ILE 60 -5.855 13.660 -3.318 440 2HD1 ILE 60 2HD1 ILE 60 -5.376 12.745 -1.888 441 3HD1 ILE 60 3HD1 ILE 60 -6.952 12.463 -2.629 442 H ILE 61 H ILE 61 -4.331 10.031 -7.704 443 HA ILE 61 HA ILE 61 -3.273 8.000 -5.909 444 HB ILE 61 HB ILE 61 -3.782 8.073 -8.890 445 1HG1 ILE 61 2HG1 ILE 61 -5.754 7.989 -7.401 446 2HG1 ILE 61 1HG1 ILE 61 -5.564 6.473 -8.283 447 1HG2 ILE 61 1HG2 ILE 61 -1.960 6.556 -8.674 448 2HG2 ILE 61 2HG2 ILE 61 -3.403 5.541 -8.674 449 3HG2 ILE 61 3HG2 ILE 61 -2.582 5.907 -7.156 450 1HD1 ILE 61 1HD1 ILE 61 -4.237 5.648 -6.239 451 2HD1 ILE 61 2HD1 ILE 61 -5.982 5.812 -6.041 452 3HD1 ILE 61 3HD1 ILE 61 -4.901 7.045 -5.393 453 H ALA 62 H ALA 62 -1.938 10.072 -8.453 454 HA ALA 62 HA ALA 62 0.659 8.779 -8.461 455 1HB ALA 62 1HB ALA 62 -0.024 10.048 -10.408 456 2HB ALA 62 2HB ALA 62 1.368 10.859 -9.690 457 3HB ALA 62 3HB ALA 62 -0.255 11.500 -9.435 458 H ASN 63 H ASN 63 -0.827 11.344 -6.583 459 HA ASN 63 HA ASN 63 1.690 12.335 -5.499 460 1HB ASN 63 2HB ASN 63 -0.300 13.782 -5.609 461 2HB ASN 63 1HB ASN 63 -1.154 12.698 -4.511 462 1HD2 ASN 63 1HD2 ASN 63 -1.289 13.935 -2.598 463 2HD2 ASN 63 2HD2 ASN 63 0.053 14.610 -1.808 464 H ASN 64 H ASN 64 -0.157 9.553 -4.933 465 HA ASN 64 HA ASN 64 0.550 9.356 -2.077 466 1HB ASN 64 2HB ASN 64 -0.990 7.623 -4.005 467 2HB ASN 64 1HB ASN 64 -0.481 6.994 -2.436 468 1HD2 ASN 64 1HD2 ASN 64 -3.146 7.079 -2.560 469 2HD2 ASN 64 2HD2 ASN 64 -3.801 8.440 -1.785 470 H GLY 65 H GLY 65 2.359 9.123 -4.731 471 1HA GLY 65 2HA GLY 65 4.454 8.131 -5.111 472 2HA GLY 65 1HA GLY 65 4.381 7.502 -3.465 473 H VAL 66 H VAL 66 1.617 6.669 -5.238 474 HA VAL 66 HA VAL 66 2.248 3.857 -5.165 475 HB VAL 66 HB VAL 66 0.134 4.982 -6.977 476 1HG1 VAL 66 1HG1 VAL 66 0.610 2.495 -6.615 477 2HG1 VAL 66 2HG1 VAL 66 -1.054 3.010 -6.337 478 3HG1 VAL 66 3HG1 VAL 66 0.019 2.723 -4.968 479 1HG2 VAL 66 1HG2 VAL 66 -1.136 4.766 -4.552 480 2HG2 VAL 66 2HG2 VAL 66 -0.590 6.287 -5.257 481 3HG2 VAL 66 3HG2 VAL 66 0.418 5.449 -4.077 482 H LYS 67 H LYS 67 4.213 3.621 -6.337 483 HA LYS 67 HA LYS 67 4.359 4.473 -9.130 484 1HB LYS 67 2HB LYS 67 6.326 4.193 -7.466 485 2HB LYS 67 1HB LYS 67 6.193 2.470 -7.813 486 1HG LYS 67 2HG LYS 67 7.174 2.709 -9.832 487 2HG LYS 67 1HG LYS 67 6.139 4.076 -10.247 488 1HD LYS 67 2HD LYS 67 8.196 4.635 -8.194 489 2HD LYS 67 1HD LYS 67 8.819 4.293 -9.808 490 1HE LYS 67 2HE LYS 67 6.810 5.961 -10.471 491 2HE LYS 67 1HE LYS 67 7.171 6.581 -8.859 492 1HZ LYS 67 1HZ LYS 67 9.447 6.887 -9.472 493 2HZ LYS 67 2HZ LYS 67 8.478 7.645 -10.643 494 3HZ LYS 67 3HZ LYS 67 9.204 6.147 -10.979 495 H ALA 68 H ALA 68 2.857 1.930 -7.511 496 HA ALA 68 HA ALA 68 2.677 0.412 -10.075 497 1HB ALA 68 1HB ALA 68 2.677 -1.705 -8.619 498 2HB ALA 68 2HB ALA 68 3.343 -0.691 -7.339 499 3HB ALA 68 3HB ALA 68 4.235 -0.909 -8.845 500 H VAL 69 H VAL 69 0.532 0.872 -10.519 501 HA VAL 69 HA VAL 69 -1.424 0.425 -8.301 502 HB VAL 69 HB VAL 69 -1.598 2.127 -10.800 503 1HG1 VAL 69 1HG1 VAL 69 -3.846 2.688 -9.354 504 2HG1 VAL 69 2HG1 VAL 69 -3.691 0.955 -9.071 505 3HG1 VAL 69 3HG1 VAL 69 -3.807 1.572 -10.719 506 1HG2 VAL 69 1HG2 VAL 69 -2.252 3.267 -8.176 507 2HG2 VAL 69 2HG2 VAL 69 -1.171 3.882 -9.426 508 3HG2 VAL 69 3HG2 VAL 69 -0.594 2.676 -8.275 509 H ILE 70 H ILE 70 -2.874 -1.218 -8.536 510 HA ILE 70 HA ILE 70 -2.853 -2.690 -11.132 511 HB ILE 70 HB ILE 70 -3.588 -3.531 -8.317 512 1HG1 ILE 70 2HG1 ILE 70 -1.795 -5.289 -8.947 513 2HG1 ILE 70 1HG1 ILE 70 -1.391 -4.204 -10.279 514 1HG2 ILE 70 1HG2 ILE 70 -5.111 -4.855 -9.389 515 2HG2 ILE 70 2HG2 ILE 70 -3.688 -5.820 -9.779 516 3HG2 ILE 70 3HG2 ILE 70 -4.321 -4.668 -10.954 517 1HD1 ILE 70 1HD1 ILE 70 -1.663 -2.870 -7.662 518 2HD1 ILE 70 2HD1 ILE 70 -0.423 -2.675 -8.901 519 3HD1 ILE 70 3HD1 ILE 70 -0.327 -4.017 -7.760 520 H ALA 71 H ALA 71 -4.545 -2.095 -12.412 521 HA ALA 71 HA ALA 71 -7.263 -2.071 -11.240 522 1HB ALA 71 1HB ALA 71 -7.391 0.151 -12.853 523 2HB ALA 71 2HB ALA 71 -5.798 0.326 -12.115 524 3HB ALA 71 3HB ALA 71 -7.232 0.193 -11.097 525 H SER 72 H SER 72 -8.809 -1.430 -13.222 526 HA SER 72 HA SER 72 -7.819 -2.625 -15.748 527 1HB SER 72 2HB SER 72 -9.863 -3.827 -13.931 528 2HB SER 72 1HB SER 72 -10.156 -3.920 -15.665 529 HG SER 72 HG SER 72 -8.503 -5.376 -14.172 530 H SER 73 H SER 73 -8.407 0.052 -15.339 531 HA SER 73 HA SER 73 -10.989 1.007 -15.671 532 1HB SER 73 2HB SER 73 -9.847 2.724 -17.285 533 2HB SER 73 1HB SER 73 -9.346 2.672 -15.598 534 HG SER 73 HG SER 73 -8.100 1.147 -17.636 535 HA PRO 74 HA PRO 74 -12.441 -0.623 -19.482 536 1HB PRO 74 2HB PRO 74 -14.344 1.282 -20.034 537 2HB PRO 74 1HB PRO 74 -14.543 0.029 -18.797 538 1HG PRO 74 2HG PRO 74 -13.963 2.935 -18.451 539 2HG PRO 74 1HG PRO 74 -14.774 1.813 -17.345 540 1HD PRO 74 2HD PRO 74 -12.096 2.700 -17.132 541 2HD PRO 74 1HD PRO 74 -12.815 1.334 -16.253 542 H GLY 75 H GLY 75 -11.282 2.693 -19.314 543 1HA GLY 75 2HA GLY 75 -10.752 2.582 -22.259 544 2HA GLY 75 1HA GLY 75 -11.165 4.083 -21.428 545 HA PRO 76 HA PRO 76 -6.517 3.087 -21.195 546 1HB PRO 76 2HB PRO 76 -5.624 4.115 -23.583 547 2HB PRO 76 1HB PRO 76 -6.044 2.410 -23.348 548 1HG PRO 76 2HG PRO 76 -7.567 4.539 -24.780 549 2HG PRO 76 1HG PRO 76 -7.584 2.786 -25.032 550 1HD PRO 76 2HD PRO 76 -9.553 4.280 -23.653 551 2HD PRO 76 1HD PRO 76 -9.376 2.512 -23.630 552 H ASN 77 H ASN 77 -8.506 5.768 -22.104 553 HA ASN 77 HA ASN 77 -6.798 7.960 -22.158 554 1HB ASN 77 2HB ASN 77 -9.508 7.652 -21.978 555 2HB ASN 77 1HB ASN 77 -9.139 8.328 -20.391 556 1HD2 ASN 77 1HD2 ASN 77 -6.791 9.872 -21.349 557 2HD2 ASN 77 2HD2 ASN 77 -7.411 11.159 -22.263 558 H ALA 78 H ALA 78 -8.070 6.338 -19.239 559 HA ALA 78 HA ALA 78 -6.661 8.034 -17.392 560 1HB ALA 78 1HB ALA 78 -7.744 6.810 -15.823 561 2HB ALA 78 2HB ALA 78 -7.132 5.289 -16.470 562 3HB ALA 78 3HB ALA 78 -8.563 6.035 -17.178 563 H PHE 79 H PHE 79 -5.823 5.021 -19.045 564 HA PHE 79 HA PHE 79 -3.405 4.560 -17.522 565 1HB PHE 79 2HB PHE 79 -4.457 3.528 -20.155 566 2HB PHE 79 1HB PHE 79 -2.843 3.105 -19.586 567 HD1 PHE 79 HD1 PHE 79 -3.999 0.734 -19.752 568 HD2 PHE 79 HD2 PHE 79 -4.989 3.719 -16.820 569 HE1 PHE 79 HE1 PHE 79 -4.969 -1.020 -18.292 570 HE2 PHE 79 HE2 PHE 79 -5.959 1.963 -15.361 571 HZ PHE 79 HZ PHE 79 -5.950 -0.407 -16.097 572 H GLU 80 H GLU 80 -4.237 6.733 -20.053 573 HA GLU 80 HA GLU 80 -1.581 7.008 -21.190 574 1HB GLU 80 2HB GLU 80 -4.140 8.580 -21.324 575 2HB GLU 80 1HB GLU 80 -2.645 9.304 -21.917 576 1HG GLU 80 2HG GLU 80 -3.201 6.516 -22.790 577 2HG GLU 80 1HG GLU 80 -4.232 7.774 -23.472 578 H VAL 81 H VAL 81 -3.454 8.764 -18.727 579 HA VAL 81 HA VAL 81 -1.298 10.651 -18.191 580 HB VAL 81 HB VAL 81 -3.527 10.042 -16.261 581 1HG1 VAL 81 1HG1 VAL 81 -3.387 12.679 -16.322 582 2HG1 VAL 81 2HG1 VAL 81 -1.796 12.373 -17.019 583 3HG1 VAL 81 3HG1 VAL 81 -2.191 11.751 -15.416 584 1HG2 VAL 81 1HG2 VAL 81 -3.738 11.048 -19.047 585 2HG2 VAL 81 2HG2 VAL 81 -4.617 11.972 -17.828 586 3HG2 VAL 81 3HG2 VAL 81 -4.951 10.254 -18.044 587 H LEU 82 H LEU 82 -2.332 7.538 -16.942 588 HA LEU 82 HA LEU 82 -0.876 7.546 -14.490 589 1HB LEU 82 2HB LEU 82 -2.063 5.495 -16.280 590 2HB LEU 82 1HB LEU 82 -0.785 4.930 -15.204 591 HG LEU 82 HG LEU 82 -1.969 5.646 -13.259 592 1HD1 LEU 82 1HD1 LEU 82 -4.391 6.717 -13.996 593 2HD1 LEU 82 2HD1 LEU 82 -3.309 7.406 -15.205 594 3HD1 LEU 82 3HD1 LEU 82 -2.991 7.662 -13.490 595 1HD2 LEU 82 1HD2 LEU 82 -3.323 4.024 -15.280 596 2HD2 LEU 82 2HD2 LEU 82 -4.459 4.771 -14.158 597 3HD2 LEU 82 3HD2 LEU 82 -3.162 3.743 -13.547 598 H ASN 83 H ASN 83 0.062 6.121 -17.647 599 HA ASN 83 HA ASN 83 2.780 5.626 -16.805 600 1HB ASN 83 2HB ASN 83 3.186 4.975 -19.065 601 2HB ASN 83 1HB ASN 83 1.522 4.498 -18.730 602 1HD2 ASN 83 1HD2 ASN 83 3.339 5.930 -21.096 603 2HD2 ASN 83 2HD2 ASN 83 2.162 6.929 -21.801 604 H GLU 84 H GLU 84 1.131 8.460 -17.752 605 HA GLU 84 HA GLU 84 3.419 9.834 -18.924 606 1HB GLU 84 2HB GLU 84 0.632 10.335 -18.623 607 2HB GLU 84 1HB GLU 84 1.491 11.673 -17.859 608 1HG GLU 84 2HG GLU 84 2.167 10.640 -20.623 609 2HG GLU 84 1HG GLU 84 1.044 11.970 -20.340 610 H LEU 85 H LEU 85 1.942 9.627 -15.711 611 HA LEU 85 HA LEU 85 3.819 11.613 -14.623 612 1HB LEU 85 2HB LEU 85 1.761 9.840 -13.272 613 2HB LEU 85 1HB LEU 85 2.701 11.092 -12.459 614 HG LEU 85 HG LEU 85 0.772 11.516 -14.761 615 1HD1 LEU 85 1HD1 LEU 85 -0.279 11.108 -12.544 616 2HD1 LEU 85 2HD1 LEU 85 -0.540 12.759 -13.106 617 3HD1 LEU 85 3HD1 LEU 85 0.672 12.430 -11.870 618 1HD2 LEU 85 1HD2 LEU 85 1.418 13.980 -13.675 619 2HD2 LEU 85 2HD2 LEU 85 2.079 13.325 -15.173 620 3HD2 LEU 85 3HD2 LEU 85 2.964 13.131 -13.660 621 H GLY 86 H GLY 86 4.434 8.694 -15.701 622 1HA GLY 86 2HA GLY 86 6.318 7.325 -15.262 623 2HA GLY 86 1HA GLY 86 6.607 8.251 -13.790 624 H ILE 87 H ILE 87 3.380 7.287 -13.957 625 HA ILE 87 HA ILE 87 3.790 5.368 -11.783 626 HB ILE 87 HB ILE 87 1.209 6.030 -13.222 627 1HG1 ILE 87 2HG1 ILE 87 2.144 7.345 -10.678 628 2HG1 ILE 87 1HG1 ILE 87 2.625 8.000 -12.244 629 1HG2 ILE 87 1HG2 ILE 87 0.150 4.942 -11.507 630 2HG2 ILE 87 2HG2 ILE 87 1.356 5.430 -10.316 631 3HG2 ILE 87 3HG2 ILE 87 1.685 4.081 -11.403 632 1HD1 ILE 87 1HD1 ILE 87 0.032 7.746 -12.764 633 2HD1 ILE 87 2HD1 ILE 87 0.650 9.165 -11.915 634 3HD1 ILE 87 3HD1 ILE 87 -0.097 7.849 -11.007 635 H LYS 88 H LYS 88 3.409 3.132 -11.898 636 HA LYS 88 HA LYS 88 3.529 1.992 -14.629 637 1HB LYS 88 2HB LYS 88 3.640 0.467 -12.020 638 2HB LYS 88 1HB LYS 88 4.262 -0.027 -13.594 639 1HG LYS 88 2HG LYS 88 5.992 1.658 -13.519 640 2HG LYS 88 1HG LYS 88 5.297 2.374 -12.063 641 1HD LYS 88 2HD LYS 88 5.943 0.557 -10.710 642 2HD LYS 88 1HD LYS 88 6.156 -0.514 -12.095 643 1HE LYS 88 2HE LYS 88 7.929 1.489 -12.688 644 2HE LYS 88 1HE LYS 88 8.032 1.441 -10.928 645 1HZ LYS 88 1HZ LYS 88 8.155 -1.022 -12.558 646 2HZ LYS 88 2HZ LYS 88 8.655 -0.790 -10.950 647 3HZ LYS 88 3HZ LYS 88 9.544 -0.106 -12.227 648 H ILE 89 H ILE 89 1.748 1.083 -15.576 649 HA ILE 89 HA ILE 89 -0.703 0.824 -13.910 650 HB ILE 89 HB ILE 89 -0.369 0.740 -16.923 651 1HG1 ILE 89 2HG1 ILE 89 -1.863 2.977 -15.846 652 2HG1 ILE 89 1HG1 ILE 89 -0.246 2.926 -15.143 653 1HG2 ILE 89 1HG2 ILE 89 -2.362 -0.421 -16.437 654 2HG2 ILE 89 2HG2 ILE 89 -2.910 1.233 -16.711 655 3HG2 ILE 89 3HG2 ILE 89 -2.738 0.621 -15.065 656 1HD1 ILE 89 1HD1 ILE 89 -0.063 2.341 -17.951 657 2HD1 ILE 89 2HD1 ILE 89 0.647 3.687 -17.061 658 3HD1 ILE 89 3HD1 ILE 89 -0.977 3.833 -17.732 659 H TYR 90 H TYR 90 -1.445 -1.161 -13.355 660 HA TYR 90 HA TYR 90 -0.309 -3.532 -14.792 661 1HB TYR 90 2HB TYR 90 -0.724 -2.939 -11.906 662 2HB TYR 90 1HB TYR 90 -1.116 -4.577 -12.426 663 HD1 TYR 90 HD1 TYR 90 1.454 -2.426 -14.015 664 HD2 TYR 90 HD2 TYR 90 0.718 -5.721 -11.355 665 HE1 TYR 90 HE1 TYR 90 3.867 -2.991 -14.051 666 HE2 TYR 90 HE2 TYR 90 3.133 -6.287 -11.393 667 HH TYR 90 HH TYR 90 5.308 -4.919 -13.651 668 H ARG 91 H ARG 91 -1.796 -5.305 -15.150 669 HA ARG 91 HA ARG 91 -4.627 -4.395 -15.258 670 1HB ARG 91 2HB ARG 91 -3.509 -5.284 -17.329 671 2HB ARG 91 1HB ARG 91 -3.376 -6.848 -16.526 672 1HG ARG 91 2HG ARG 91 -5.425 -7.269 -17.403 673 2HG ARG 91 1HG ARG 91 -6.028 -6.214 -16.125 674 1HD ARG 91 2HD ARG 91 -5.908 -4.280 -17.606 675 2HD ARG 91 1HD ARG 91 -5.189 -5.266 -18.879 676 HE ARG 91 HE ARG 91 -7.681 -6.433 -18.122 677 1HH1 ARG 91 1HH2 ARG 91 -6.273 -5.022 -20.700 678 2HH1 ARG 91 2HH2 ARG 91 -7.660 -4.153 -21.266 679 1HH2 ARG 91 2HH1 ARG 91 -9.519 -4.720 -18.394 680 2HH2 ARG 91 1HH1 ARG 91 -9.498 -3.982 -19.961 681 H ALA 92 H ALA 92 -5.968 -5.079 -13.670 682 HA ALA 92 HA ALA 92 -5.156 -7.318 -11.935 683 1HB ALA 92 1HB ALA 92 -6.907 -5.022 -11.727 684 2HB ALA 92 2HB ALA 92 -6.263 -6.045 -10.443 685 3HB ALA 92 3HB ALA 92 -7.763 -6.490 -11.257 686 H THR 93 H THR 93 -5.972 -9.368 -12.088 687 HA THR 93 HA THR 93 -7.597 -10.095 -14.372 688 HB THR 93 HB THR 93 -7.132 -11.861 -11.972 689 HG1 THR 93 HG1 THR 93 -5.162 -12.392 -13.306 690 1HG2 THR 93 1HG2 THR 93 -6.691 -13.334 -14.217 691 2HG2 THR 93 2HG2 THR 93 -7.859 -12.160 -14.824 692 3HG2 THR 93 3HG2 THR 93 -8.269 -13.179 -13.444 693 H GLY 94 H GLY 94 -8.214 -9.688 -10.902 694 1HA GLY 94 2HA GLY 94 -10.468 -8.815 -10.292 695 2HA GLY 94 1HA GLY 94 -11.135 -9.890 -11.522 696 H THR 95 H THR 95 -8.547 -11.258 -9.765 697 HA THR 95 HA THR 95 -10.354 -13.207 -8.544 698 HB THR 95 HB THR 95 -7.681 -13.438 -7.534 699 HG1 THR 95 HG1 THR 95 -6.843 -12.300 -9.165 700 1HG2 THR 95 1HG2 THR 95 -9.071 -14.987 -9.735 701 2HG2 THR 95 2HG2 THR 95 -9.351 -15.246 -8.012 702 3HG2 THR 95 3HG2 THR 95 -7.759 -15.558 -8.703 703 H SER 96 H SER 96 -7.701 -11.310 -7.068 704 HA SER 96 HA SER 96 -9.396 -10.119 -5.063 705 1HB SER 96 2HB SER 96 -8.657 -12.814 -4.574 706 2HB SER 96 1HB SER 96 -7.666 -11.822 -3.507 707 HG SER 96 HG SER 96 -9.778 -10.704 -3.086 708 H VAL 97 H VAL 97 -8.300 -8.375 -4.258 709 HA VAL 97 HA VAL 97 -5.747 -7.633 -5.228 710 HB VAL 97 HB VAL 97 -5.789 -5.879 -3.513 711 1HG1 VAL 97 1HG1 VAL 97 -7.547 -4.768 -4.468 712 2HG1 VAL 97 2HG1 VAL 97 -8.680 -6.081 -4.152 713 3HG1 VAL 97 3HG1 VAL 97 -7.581 -6.178 -5.527 714 1HG2 VAL 97 1HG2 VAL 97 -8.142 -7.418 -2.368 715 2HG2 VAL 97 2HG2 VAL 97 -7.512 -5.883 -1.767 716 3HG2 VAL 97 3HG2 VAL 97 -6.535 -7.346 -1.644 717 H GLU 98 H GLU 98 -6.637 -9.686 -2.568 718 HA GLU 98 HA GLU 98 -4.167 -9.488 -1.092 719 1HB GLU 98 2HB GLU 98 -6.346 -10.458 -0.230 720 2HB GLU 98 1HB GLU 98 -6.019 -11.883 -1.216 721 1HG GLU 98 2HG GLU 98 -3.629 -11.607 0.056 722 2HG GLU 98 1HG GLU 98 -4.724 -10.987 1.292 723 H GLU 99 H GLU 99 -5.288 -11.597 -3.721 724 HA GLU 99 HA GLU 99 -2.857 -13.205 -3.697 725 1HB GLU 99 2HB GLU 99 -5.004 -14.111 -4.527 726 2HB GLU 99 1HB GLU 99 -4.996 -12.924 -5.831 727 1HG GLU 99 2HG GLU 99 -3.635 -14.218 -7.069 728 2HG GLU 99 1HG GLU 99 -2.466 -14.316 -5.752 729 H ASN 100 H ASN 100 -4.109 -10.524 -5.684 730 HA ASN 100 HA ASN 100 -1.918 -10.477 -7.533 731 1HB ASN 100 2HB ASN 100 -3.684 -8.180 -6.628 732 2HB ASN 100 1HB ASN 100 -2.700 -8.218 -8.092 733 1HD2 ASN 100 1HD2 ASN 100 -4.443 -8.184 -9.621 734 2HD2 ASN 100 2HD2 ASN 100 -5.571 -9.446 -9.756 735 H LEU 101 H LEU 101 -2.315 -9.212 -4.291 736 HA LEU 101 HA LEU 101 -0.233 -7.276 -4.293 737 1HB LEU 101 2HB LEU 101 -2.002 -8.034 -2.439 738 2HB LEU 101 1HB LEU 101 -0.625 -8.980 -1.870 739 HG LEU 101 HG LEU 101 -0.755 -5.981 -2.270 740 1HD1 LEU 101 1HD1 LEU 101 -0.691 -7.863 0.045 741 2HD1 LEU 101 2HD1 LEU 101 -1.522 -6.316 -0.123 742 3HD1 LEU 101 3HD1 LEU 101 0.211 -6.355 0.205 743 1HD2 LEU 101 1HD2 LEU 101 1.397 -6.932 -3.107 744 2HD2 LEU 101 2HD2 LEU 101 1.641 -7.695 -1.536 745 3HD2 LEU 101 3HD2 LEU 101 1.617 -5.937 -1.667 746 H LYS 102 H LYS 102 -0.029 -10.637 -3.047 747 HA LYS 102 HA LYS 102 2.833 -10.615 -2.894 748 1HB LYS 102 2HB LYS 102 0.679 -12.542 -2.509 749 2HB LYS 102 1HB LYS 102 2.087 -13.280 -3.274 750 1HG LYS 102 2HG LYS 102 3.152 -13.303 -1.295 751 2HG LYS 102 1HG LYS 102 3.028 -11.545 -1.212 752 1HD LYS 102 2HD LYS 102 0.733 -13.353 -0.438 753 2HD LYS 102 1HD LYS 102 1.962 -12.846 0.722 754 1HE LYS 102 2HE LYS 102 1.429 -10.510 0.356 755 2HE LYS 102 1HE LYS 102 0.325 -10.925 -0.955 756 1HZ LYS 102 1HZ LYS 102 -0.763 -12.375 0.907 757 2HZ LYS 102 2HZ LYS 102 -1.124 -10.720 0.775 758 3HZ LYS 102 3HZ LYS 102 -0.009 -11.260 1.939 759 H LEU 103 H LEU 103 0.590 -11.291 -5.497 760 HA LEU 103 HA LEU 103 2.429 -12.663 -7.230 761 1HB LEU 103 2HB LEU 103 -0.267 -11.943 -7.318 762 2HB LEU 103 1HB LEU 103 0.466 -11.024 -8.633 763 HG LEU 103 HG LEU 103 1.640 -13.251 -9.256 764 1HD1 LEU 103 1HD1 LEU 103 -0.724 -14.391 -7.749 765 2HD1 LEU 103 2HD1 LEU 103 0.893 -14.307 -7.048 766 3HD1 LEU 103 3HD1 LEU 103 0.609 -15.270 -8.499 767 1HD2 LEU 103 1HD2 LEU 103 0.094 -13.330 -10.907 768 2HD2 LEU 103 2HD2 LEU 103 -0.749 -12.046 -10.039 769 3HD2 LEU 103 3HD2 LEU 103 -1.196 -13.731 -9.773 770 H PHE 104 H PHE 104 1.858 -9.271 -6.524 771 HA PHE 104 HA PHE 104 3.331 -8.276 -8.828 772 1HB PHE 104 2HB PHE 104 1.620 -6.918 -7.629 773 2HB PHE 104 1HB PHE 104 2.672 -6.883 -6.214 774 HD1 PHE 104 HD1 PHE 104 5.141 -6.063 -6.648 775 HD2 PHE 104 HD2 PHE 104 1.809 -5.220 -9.227 776 HE1 PHE 104 HE1 PHE 104 6.371 -4.133 -7.608 777 HE2 PHE 104 HE2 PHE 104 3.038 -3.290 -10.187 778 HZ PHE 104 HZ PHE 104 5.320 -2.747 -9.377 779 H THR 105 H THR 105 4.155 -9.326 -5.597 780 HA THR 105 HA THR 105 6.688 -8.026 -5.358 781 HB THR 105 HB THR 105 6.012 -10.764 -4.261 782 HG1 THR 105 HG1 THR 105 4.407 -9.703 -3.401 783 1HG2 THR 105 1HG2 THR 105 7.367 -9.369 -2.344 784 2HG2 THR 105 2HG2 THR 105 8.088 -8.714 -3.814 785 3HG2 THR 105 3HG2 THR 105 8.135 -10.450 -3.507 786 H GLU 106 H GLU 106 5.647 -10.679 -7.319 787 HA GLU 106 HA GLU 106 8.480 -11.438 -7.862 788 1HB GLU 106 2HB GLU 106 5.888 -12.823 -8.623 789 2HB GLU 106 1HB GLU 106 7.506 -13.422 -8.988 790 1HG GLU 106 2HG GLU 106 7.768 -13.007 -6.328 791 2HG GLU 106 1HG GLU 106 6.045 -13.379 -6.404 792 H GLY 107 H GLY 107 5.588 -10.081 -9.328 793 1HA GLY 107 2HA GLY 107 5.575 -8.654 -11.241 794 2HA GLY 107 1HA GLY 107 7.225 -9.165 -11.602 795 H ASN 108 H ASN 108 4.360 -11.203 -11.040 796 HA ASN 108 HA ASN 108 4.915 -12.531 -13.636 797 1HB ASN 108 2HB ASN 108 3.456 -13.277 -11.132 798 2HB ASN 108 1HB ASN 108 2.948 -14.030 -12.645 799 1HD2 ASN 108 1HD2 ASN 108 4.531 -15.123 -10.224 800 2HD2 ASN 108 2HD2 ASN 108 5.910 -15.820 -10.924 801 H LEU 109 H LEU 109 2.711 -10.332 -12.159 802 HA LEU 109 HA LEU 109 1.002 -10.457 -14.611 803 1HB LEU 109 2HB LEU 109 0.150 -11.118 -12.066 804 2HB LEU 109 1HB LEU 109 -0.314 -9.421 -12.195 805 HG LEU 109 HG LEU 109 -1.045 -10.410 -14.659 806 1HD1 LEU 109 1HD1 LEU 109 -1.401 -12.630 -14.569 807 2HD1 LEU 109 2HD1 LEU 109 -2.433 -12.424 -13.153 808 3HD1 LEU 109 3HD1 LEU 109 -0.696 -12.658 -12.952 809 1HD2 LEU 109 1HD2 LEU 109 -2.738 -10.314 -12.141 810 2HD2 LEU 109 2HD2 LEU 109 -3.339 -10.228 -13.796 811 3HD2 LEU 109 3HD2 LEU 109 -2.347 -8.921 -13.149 812 H GLU 110 H GLU 110 0.446 -8.424 -15.477 813 HA GLU 110 HA GLU 110 0.798 -5.951 -14.041 814 1HB GLU 110 2HB GLU 110 2.791 -5.110 -15.191 815 2HB GLU 110 1HB GLU 110 3.188 -6.593 -14.322 816 1HG GLU 110 2HG GLU 110 2.490 -7.705 -16.645 817 2HG GLU 110 1HG GLU 110 2.965 -6.122 -17.263 818 H GLU 111 H GLU 111 1.524 -4.349 -16.315 819 HA GLU 111 HA GLU 111 -0.257 -5.037 -18.515 820 1HB GLU 111 2HB GLU 111 -1.914 -4.229 -16.936 821 2HB GLU 111 1HB GLU 111 -0.966 -2.772 -16.654 822 1HG GLU 111 2HG GLU 111 -1.770 -1.776 -18.515 823 2HG GLU 111 1HG GLU 111 -1.476 -3.215 -19.493 824 H ILE 112 H ILE 112 0.026 -1.727 -17.883 825 HA ILE 112 HA ILE 112 2.012 -1.492 -20.062 826 HB ILE 112 HB ILE 112 0.368 0.621 -18.634 827 1HG1 ILE 112 2HG1 ILE 112 -0.948 -0.969 -20.019 828 2HG1 ILE 112 1HG1 ILE 112 -0.937 0.651 -20.719 829 1HG2 ILE 112 1HG2 ILE 112 2.611 0.749 -20.526 830 2HG2 ILE 112 2HG2 ILE 112 1.917 2.020 -19.519 831 3HG2 ILE 112 3HG2 ILE 112 1.185 1.629 -21.076 832 1HD1 ILE 112 1HD1 ILE 112 1.215 -0.285 -21.974 833 2HD1 ILE 112 2HD1 ILE 112 -0.406 -0.591 -22.598 834 3HD1 ILE 112 3HD1 ILE 112 0.429 -1.836 -21.668 835 H ARG 113 H ARG 113 4.101 -1.557 -19.398 836 HA ARG 113 HA ARG 113 4.837 0.067 -17.000 837 1HB ARG 113 2HB ARG 113 6.394 -1.615 -16.283 838 2HB ARG 113 1HB ARG 113 4.866 -2.442 -16.584 839 1HG ARG 113 2HG ARG 113 5.632 -3.219 -18.740 840 2HG ARG 113 1HG ARG 113 7.091 -2.234 -18.629 841 1HD ARG 113 2HD ARG 113 6.976 -3.824 -16.273 842 2HD ARG 113 1HD ARG 113 6.659 -4.894 -17.638 843 HE ARG 113 HE ARG 113 9.038 -3.088 -17.662 844 1HH1 ARG 113 1HH2 ARG 113 8.191 -5.182 -19.796 845 2HH1 ARG 113 2HH2 ARG 113 9.323 -6.446 -19.448 846 1HH2 ARG 113 2HH1 ARG 113 10.229 -5.149 -16.362 847 2HH2 ARG 113 1HH1 ARG 113 10.478 -6.426 -17.505 848 H SER 114 H SER 114 5.773 -1.232 -20.149 849 HA SER 114 HA SER 114 7.132 1.037 -21.041 850 1HB SER 114 2HB SER 114 8.893 1.041 -19.567 851 2HB SER 114 1HB SER 114 8.763 -0.685 -19.244 852 HG SER 114 HG SER 114 10.537 0.399 -20.717 853 HA PRO 115 HA PRO 115 7.191 -1.614 -24.548 854 1HB PRO 115 2HB PRO 115 8.681 -0.003 -26.205 855 2HB PRO 115 1HB PRO 115 6.978 0.300 -25.817 856 1HG PRO 115 2HG PRO 115 9.411 1.708 -24.820 857 2HG PRO 115 1HG PRO 115 7.755 2.313 -24.990 858 1HD PRO 115 2HD PRO 115 8.972 1.487 -22.575 859 2HD PRO 115 1HD PRO 115 7.235 1.764 -22.825 860 H GLY 116 H GLY 116 10.361 -0.027 -23.967 861 1HA GLY 116 2HA GLY 116 11.978 -2.063 -23.234 862 2HA GLY 116 1HA GLY 116 11.757 -2.433 -24.944 863 H SER 117 H SER 117 11.749 0.099 -26.073 864 HA SER 117 HA SER 117 14.563 0.718 -26.117 865 1HB SER 117 2HB SER 117 13.678 1.354 -28.127 866 2HB SER 117 1HB SER 117 12.102 1.721 -27.431 867 HG SER 117 HG SER 117 13.006 3.655 -27.979 868 H GLY 118 H GLY 118 15.564 2.735 -25.439 869 1HA GLY 118 2HA GLY 118 14.199 3.913 -23.060 870 2HA GLY 118 1HA GLY 118 15.947 3.875 -23.297 871 H ARG 119 H ARG 119 16.903 5.404 -24.728 872 HA ARG 119 HA ARG 119 15.075 7.636 -25.522 873 1HB ARG 119 2HB ARG 119 17.555 7.607 -23.998 874 2HB ARG 119 1HB ARG 119 17.680 8.656 -25.410 875 1HG ARG 119 2HG ARG 119 15.108 9.052 -24.206 876 2HG ARG 119 1HG ARG 119 16.345 9.192 -22.955 877 1HD ARG 119 2HD ARG 119 17.612 10.705 -24.592 878 2HD ARG 119 1HD ARG 119 16.120 10.757 -25.531 879 HE ARG 119 HE ARG 119 15.598 12.481 -24.000 880 1HH1 ARG 119 2HH1 ARG 119 18.022 11.853 -22.223 881 2HH1 ARG 119 1HH1 ARG 119 17.236 11.496 -20.720 882 1HH2 ARG 119 1HH2 ARG 119 14.100 11.106 -22.147 883 2HH2 ARG 119 2HH2 ARG 119 15.017 11.073 -20.678 884 H GLY 120 H GLY 120 18.090 5.928 -26.369 885 1HA GLY 120 2HA GLY 120 18.055 5.171 -28.828 886 2HA GLY 120 1HA GLY 120 17.707 6.865 -29.182 887 H ARG 121 H ARG 121 20.184 4.586 -28.357 888 HA ARG 121 HA ARG 121 22.193 6.799 -28.504 889 1HB ARG 121 2HB ARG 121 21.857 4.630 -26.560 890 2HB ARG 121 1HB ARG 121 23.480 4.689 -27.248 891 1HG ARG 121 2HG ARG 121 22.927 7.356 -26.779 892 2HG ARG 121 1HG ARG 121 22.168 6.555 -25.404 893 1HD ARG 121 2HD ARG 121 24.167 5.795 -24.565 894 2HD ARG 121 1HD ARG 121 24.889 5.617 -26.164 895 HE ARG 121 HE ARG 121 24.671 8.193 -24.674 896 1HH1 ARG 121 1HH2 ARG 121 24.772 8.052 -27.794 897 2HH1 ARG 121 2HH2 ARG 121 26.452 8.388 -28.050 898 1HH2 ARG 121 2HH1 ARG 121 27.335 7.839 -24.741 899 2HH2 ARG 121 1HH1 ARG 121 27.904 8.266 -26.321 900 H ARG 122 H ARG 122 21.056 5.190 -30.699 901 HA ARG 122 HA ARG 122 21.825 4.029 -32.589 902 1HB ARG 122 2HB ARG 122 23.720 5.869 -32.033 903 2HB ARG 122 1HB ARG 122 24.672 4.401 -31.807 904 1HG ARG 122 2HG ARG 122 24.336 3.692 -34.028 905 2HG ARG 122 1HG ARG 122 22.945 4.753 -34.251 906 1HD ARG 122 2HD ARG 122 25.274 6.308 -33.533 907 2HD ARG 122 1HD ARG 122 25.623 5.303 -34.940 908 HE ARG 122 HE ARG 122 23.090 6.524 -35.350 909 1HH1 ARG 122 2HH1 ARG 122 25.951 7.963 -34.294 910 2HH1 ARG 122 1HH1 ARG 122 26.078 9.077 -35.613 911 1HH2 ARG 122 1HH2 ARG 122 23.448 7.684 -37.390 912 2HH2 ARG 122 2HH2 ARG 122 24.660 8.920 -37.365 913 H ARG 123 H ARG 123 21.084 2.289 -30.725 914 HA ARG 123 HA ARG 123 21.454 0.148 -29.834 915 1HB ARG 123 2HB ARG 123 23.040 0.276 -32.362 916 2HB ARG 123 1HB ARG 123 23.314 -1.101 -31.293 917 1HG ARG 123 2HG ARG 123 20.509 -0.724 -31.413 918 2HG ARG 123 1HG ARG 123 21.100 -0.623 -33.072 919 1HD ARG 123 2HD ARG 123 21.773 -2.853 -31.129 920 2HD ARG 123 1HD ARG 123 20.565 -2.962 -32.410 921 HE ARG 123 HE ARG 123 23.413 -2.368 -33.084 922 1HH1 ARG 123 1HH2 ARG 123 20.805 -2.923 -34.824 923 2HH1 ARG 123 2HH2 ARG 123 21.245 -4.465 -35.476 924 1HH2 ARG 123 2HH1 ARG 123 23.880 -4.940 -33.271 925 2HH2 ARG 123 1HH1 ARG 123 22.987 -5.607 -34.597 926 H ARG 124 HN ARG 124 23.598 -1.397 -29.342 927 HA ARG 124 HA ARG 124 25.333 -1.593 -27.764 928 1HB ARG 124 2HB ARG 124 26.312 -0.379 -29.951 929 2HB ARG 124 1HB ARG 124 26.572 0.919 -28.785 930 1HG ARG 124 2HG ARG 124 28.543 -0.285 -28.533 931 2HG ARG 124 1HG ARG 124 27.539 -1.039 -27.295 932 1HD ARG 124 2HD ARG 124 27.608 -2.108 -30.115 933 2HD ARG 124 1HD ARG 124 28.805 -2.605 -28.918 934 HE ARG 124 HE ARG 124 25.928 -3.275 -28.868 935 1HH1 ARG 124 1HH1 ARG 124 28.548 -4.965 -28.479 936 2HH1 ARG 124 2HH1 ARG 124 28.357 -5.406 -26.814 937 1HH2 ARG 124 1HH2 ARG 124 25.862 -3.077 -26.208 938 2HH2 ARG 124 2HH2 ARG 124 26.834 -4.339 -25.531 Start of MODEL 15 1 1H MET 1 1H MET 1 9.650 1.099 -4.660 2 2H MET 1 2H MET 1 9.092 -0.300 -3.875 3 3H MET 1 3H MET 1 8.560 1.231 -3.368 4 HA MET 1 HA MET 1 7.658 1.475 -5.742 5 1HB MET 1 2HB MET 1 8.615 -1.301 -5.632 6 2HB MET 1 1HB MET 1 6.939 -1.158 -6.161 7 1HG MET 1 2HG MET 1 7.569 -0.342 -8.163 8 2HG MET 1 1HG MET 1 8.578 0.885 -7.400 9 1HE MET 1 1HE MET 1 9.402 -3.442 -8.096 10 2HE MET 1 2HE MET 1 9.129 -2.612 -9.626 11 3HE MET 1 3HE MET 1 7.932 -2.489 -8.338 12 H LYS 2 H LYS 2 5.742 2.211 -4.956 13 HA LYS 2 HA LYS 2 4.366 0.709 -2.812 14 1HB LYS 2 2HB LYS 2 3.220 3.182 -4.057 15 2HB LYS 2 1HB LYS 2 3.192 2.664 -2.371 16 1HG LYS 2 2HG LYS 2 5.890 2.954 -2.835 17 2HG LYS 2 1HG LYS 2 5.206 4.258 -3.805 18 1HD LYS 2 2HD LYS 2 3.741 4.651 -1.621 19 2HD LYS 2 1HD LYS 2 5.106 3.847 -0.843 20 1HE LYS 2 2HE LYS 2 5.919 5.880 -2.799 21 2HE LYS 2 1HE LYS 2 4.989 6.538 -1.454 22 1HZ LYS 2 1HZ LYS 2 6.493 5.512 0.090 23 2HZ LYS 2 2HZ LYS 2 7.387 6.453 -1.006 24 3HZ LYS 2 3HZ LYS 2 7.350 4.762 -1.166 25 H ILE 3 H ILE 3 2.842 -0.777 -3.327 26 HA ILE 3 HA ILE 3 1.658 -0.698 -6.054 27 HB ILE 3 HB ILE 3 1.601 -2.901 -3.970 28 1HG1 ILE 3 2HG1 ILE 3 3.112 -3.376 -6.421 29 2HG1 ILE 3 1HG1 ILE 3 3.750 -2.005 -5.514 30 1HG2 ILE 3 1HG2 ILE 3 0.287 -2.498 -6.559 31 2HG2 ILE 3 2HG2 ILE 3 -0.052 -3.690 -5.303 32 3HG2 ILE 3 3HG2 ILE 3 1.219 -3.994 -6.488 33 1HD1 ILE 3 1HD1 ILE 3 3.849 -3.395 -3.478 34 2HD1 ILE 3 2HD1 ILE 3 4.803 -4.110 -4.778 35 3HD1 ILE 3 3HD1 ILE 3 3.215 -4.769 -4.385 36 H ALA 4 H ALA 4 -0.234 0.412 -6.130 37 HA ALA 4 HA ALA 4 -2.051 0.277 -3.768 38 1HB ALA 4 1HB ALA 4 -2.313 2.132 -6.143 39 2HB ALA 4 2HB ALA 4 -1.302 2.525 -4.752 40 3HB ALA 4 3HB ALA 4 -3.040 2.305 -4.546 41 H ILE 5 H ILE 5 -3.547 -1.321 -3.975 42 HA ILE 5 HA ILE 5 -4.390 -2.220 -6.654 43 HB ILE 5 HB ILE 5 -5.463 -3.201 -4.003 44 1HG1 ILE 5 2HG1 ILE 5 -2.958 -3.190 -3.980 45 2HG1 ILE 5 1HG1 ILE 5 -3.636 -4.819 -3.947 46 1HG2 ILE 5 1HG2 ILE 5 -6.666 -4.392 -5.524 47 2HG2 ILE 5 2HG2 ILE 5 -5.184 -5.332 -5.701 48 3HG2 ILE 5 3HG2 ILE 5 -5.544 -4.030 -6.836 49 1HD1 ILE 5 1HD1 ILE 5 -3.387 -4.100 -6.679 50 2HD1 ILE 5 2HD1 ILE 5 -2.456 -5.311 -5.797 51 3HD1 ILE 5 3HD1 ILE 5 -1.871 -3.650 -5.898 52 H ALA 6 H ALA 6 -6.051 -1.194 -7.647 53 HA ALA 6 HA ALA 6 -7.758 0.704 -6.363 54 1HB ALA 6 1HB ALA 6 -7.599 -0.593 -9.021 55 2HB ALA 6 2HB ALA 6 -7.838 1.106 -8.611 56 3HB ALA 6 3HB ALA 6 -9.199 -0.014 -8.561 57 H SER 7 H SER 7 -10.038 0.516 -5.872 58 HA SER 7 HA SER 7 -11.902 -0.572 -4.950 59 1HB SER 7 2HB SER 7 -12.394 -1.684 -6.943 60 2HB SER 7 1HB SER 7 -10.867 -2.561 -6.948 61 HG SER 7 HG SER 7 -13.101 -2.960 -5.240 62 H SER 8 H SER 8 -10.127 -3.596 -5.217 63 HA SER 8 HA SER 8 -9.331 -5.041 -3.548 64 1HB SER 8 2HB SER 8 -8.089 -2.602 -3.164 65 2HB SER 8 1HB SER 8 -8.780 -2.934 -1.578 66 HG SER 8 HG SER 8 -6.631 -4.008 -2.713 67 H GLY 9 H GLY 9 -12.172 -3.908 -3.495 68 1HA GLY 9 2HA GLY 9 -14.039 -3.965 -2.065 69 2HA GLY 9 1HA GLY 9 -13.217 -5.350 -1.343 70 H THR 10 H THR 10 -12.299 -5.109 0.675 71 HA THR 10 HA THR 10 -11.745 -2.429 1.748 72 HB THR 10 HB THR 10 -13.262 -3.357 3.820 73 HG1 THR 10 HG1 THR 10 -15.236 -4.017 2.761 74 1HG2 THR 10 1HG2 THR 10 -14.591 -1.517 3.386 75 2HG2 THR 10 2HG2 THR 10 -14.670 -1.850 1.657 76 3HG2 THR 10 3HG2 THR 10 -13.214 -1.138 2.352 77 H ASP 11 H ASP 11 -12.152 -5.886 2.560 78 HA ASP 11 HA ASP 11 -9.419 -5.931 3.641 79 1HB ASP 11 2HB ASP 11 -11.316 -5.252 5.441 80 2HB ASP 11 1HB ASP 11 -11.443 -7.009 5.535 81 H LEU 12 H LEU 12 -12.426 -7.878 3.867 82 HA LEU 12 HA LEU 12 -10.832 -10.205 2.880 83 1HB LEU 12 2HB LEU 12 -13.374 -10.039 4.518 84 2HB LEU 12 1HB LEU 12 -12.773 -11.547 3.828 85 HG LEU 12 HG LEU 12 -10.517 -10.812 4.999 86 1HD1 LEU 12 1HD1 LEU 12 -12.023 -9.812 7.248 87 2HD1 LEU 12 2HD1 LEU 12 -12.302 -8.782 5.843 88 3HD1 LEU 12 3HD1 LEU 12 -10.658 -9.067 6.415 89 1HD2 LEU 12 1HD2 LEU 12 -10.989 -12.474 6.498 90 2HD2 LEU 12 2HD2 LEU 12 -12.444 -12.664 5.520 91 3HD2 LEU 12 3HD2 LEU 12 -12.499 -11.719 7.009 92 H GLY 13 H GLY 13 -13.326 -8.009 2.042 93 1HA GLY 13 2HA GLY 13 -14.494 -9.853 0.037 94 2HA GLY 13 1HA GLY 13 -15.099 -8.243 0.431 95 H SER 14 H SER 14 -11.691 -8.785 -0.141 96 HA SER 14 HA SER 14 -11.719 -6.841 -2.318 97 1HB SER 14 2HB SER 14 -9.288 -7.197 -2.357 98 2HB SER 14 1HB SER 14 -9.844 -6.968 -0.702 99 HG SER 14 HG SER 14 -8.676 -9.127 -1.878 100 H GLU 15 H GLU 15 -13.222 -8.240 -3.675 101 HA GLU 15 HA GLU 15 -12.119 -10.679 -4.835 102 1HB GLU 15 2HB GLU 15 -14.521 -10.506 -4.655 103 2HB GLU 15 1HB GLU 15 -14.527 -8.979 -5.537 104 1HG GLU 15 2HG GLU 15 -13.943 -10.024 -7.581 105 2HG GLU 15 1HG GLU 15 -13.429 -11.505 -6.772 106 H VAL 16 H VAL 16 -11.147 -7.600 -5.210 107 HA VAL 16 HA VAL 16 -9.840 -6.563 -6.864 108 HB VAL 16 HB VAL 16 -10.138 -8.977 -8.631 109 1HG1 VAL 16 1HG1 VAL 16 -7.599 -7.527 -7.961 110 2HG1 VAL 16 2HG1 VAL 16 -8.766 -6.754 -9.033 111 3HG1 VAL 16 3HG1 VAL 16 -8.069 -8.314 -9.467 112 1HG2 VAL 16 1HG2 VAL 16 -8.940 -8.857 -5.911 113 2HG2 VAL 16 2HG2 VAL 16 -7.973 -9.647 -7.156 114 3HG2 VAL 16 3HG2 VAL 16 -9.595 -10.236 -6.792 115 H SER 17 H SER 17 -12.399 -5.792 -6.830 116 HA SER 17 HA SER 17 -14.164 -6.223 -8.904 117 1HB SER 17 2HB SER 17 -14.072 -4.382 -6.971 118 2HB SER 17 1HB SER 17 -13.533 -3.364 -8.304 119 HG SER 17 HG SER 17 -16.000 -4.269 -7.730 120 H ARG 18 H ARG 18 -14.483 -5.101 -10.987 121 HA ARG 18 HA ARG 18 -11.862 -4.499 -12.295 122 1HB ARG 18 2HB ARG 18 -14.382 -5.827 -13.250 123 2HB ARG 18 1HB ARG 18 -13.344 -5.004 -14.416 124 1HG ARG 18 2HG ARG 18 -12.178 -6.947 -14.481 125 2HG ARG 18 1HG ARG 18 -11.526 -6.446 -12.920 126 1HD ARG 18 2HD ARG 18 -12.362 -8.593 -12.463 127 2HD ARG 18 1HD ARG 18 -13.679 -7.544 -11.937 128 HE ARG 18 HE ARG 18 -14.838 -8.088 -14.061 129 1HH1 ARG 18 2HH1 ARG 18 -14.208 -10.669 -12.508 130 2HH1 ARG 18 1HH1 ARG 18 -13.669 -11.693 -13.797 131 1HH2 ARG 18 1HH2 ARG 18 -13.216 -9.085 -16.036 132 2HH2 ARG 18 2HH2 ARG 18 -13.108 -10.798 -15.793 133 H PHE 19 H PHE 19 -13.296 -2.489 -10.840 134 HA PHE 19 HA PHE 19 -14.075 -0.702 -13.106 135 1HB PHE 19 2HB PHE 19 -15.586 -1.438 -10.700 136 2HB PHE 19 1HB PHE 19 -15.435 0.306 -10.917 137 HD1 PHE 19 HD1 PHE 19 -15.378 0.636 -13.812 138 HD2 PHE 19 HD2 PHE 19 -17.741 -2.035 -11.416 139 HE1 PHE 19 HE1 PHE 19 -17.106 0.568 -15.592 140 HE2 PHE 19 HE2 PHE 19 -19.469 -2.105 -13.195 141 HZ PHE 19 HZ PHE 19 -19.150 -0.802 -15.284 142 H PHE 20 H PHE 20 -12.246 0.569 -13.216 143 HA PHE 20 HA PHE 20 -11.133 1.639 -10.665 144 1HB PHE 20 2HB PHE 20 -9.549 0.546 -12.238 145 2HB PHE 20 1HB PHE 20 -9.983 1.730 -13.472 146 HD1 PHE 20 HD1 PHE 20 -9.370 2.075 -9.787 147 HD2 PHE 20 HD2 PHE 20 -8.174 3.188 -13.763 148 HE1 PHE 20 HE1 PHE 20 -7.720 3.668 -8.844 149 HE2 PHE 20 HE2 PHE 20 -6.523 4.782 -12.819 150 HZ PHE 20 HZ PHE 20 -6.296 5.023 -10.361 151 H GLY 21 H GLY 21 -11.092 3.863 -10.284 152 1HA GLY 21 2HA GLY 21 -11.197 6.175 -11.220 153 2HA GLY 21 1HA GLY 21 -12.416 5.578 -12.349 154 H ARG 22 H ARG 22 -14.055 4.103 -10.687 155 HA ARG 22 HA ARG 22 -15.199 6.247 -8.960 156 1HB ARG 22 2HB ARG 22 -16.446 4.876 -10.904 157 2HB ARG 22 1HB ARG 22 -16.720 3.754 -9.571 158 1HG ARG 22 2HG ARG 22 -18.001 5.276 -8.370 159 2HG ARG 22 1HG ARG 22 -17.233 6.673 -9.126 160 1HD ARG 22 2HD ARG 22 -19.304 6.671 -10.192 161 2HD ARG 22 1HD ARG 22 -18.339 5.719 -11.321 162 HE ARG 22 HE ARG 22 -19.797 4.209 -9.239 163 1HH1 ARG 22 1HH2 ARG 22 -18.700 4.059 -12.341 164 2HH1 ARG 22 2HH2 ARG 22 -20.165 3.469 -13.051 165 1HH2 ARG 22 2HH1 ARG 22 -22.071 3.999 -10.203 166 2HH2 ARG 22 1HH1 ARG 22 -22.073 3.433 -11.841 167 H ALA 23 H ALA 23 -14.219 2.849 -8.987 168 HA ALA 23 HA ALA 23 -15.072 1.875 -6.563 169 1HB ALA 23 1HB ALA 23 -13.615 0.256 -7.117 170 2HB ALA 23 2HB ALA 23 -12.267 1.313 -6.700 171 3HB ALA 23 3HB ALA 23 -12.916 1.317 -8.340 172 HA PRO 24 HA PRO 24 -13.288 5.127 -3.959 173 1HB PRO 24 2HB PRO 24 -15.206 4.883 -2.011 174 2HB PRO 24 1HB PRO 24 -15.424 5.859 -3.474 175 1HG PRO 24 2HG PRO 24 -16.625 3.223 -2.785 176 2HG PRO 24 1HG PRO 24 -17.223 4.474 -3.886 177 1HD PRO 24 2HD PRO 24 -15.897 2.070 -4.630 178 2HD PRO 24 1HD PRO 24 -16.270 3.444 -5.693 179 H TYR 25 H TYR 25 -11.930 2.741 -3.936 180 HA TYR 25 HA TYR 25 -11.501 2.296 -1.063 181 1HB TYR 25 2HB TYR 25 -12.434 0.117 -2.945 182 2HB TYR 25 1HB TYR 25 -11.596 -0.230 -1.434 183 HD1 TYR 25 HD1 TYR 25 -14.741 0.687 -2.966 184 HD2 TYR 25 HD2 TYR 25 -12.577 0.630 0.747 185 HE1 TYR 25 HE1 TYR 25 -16.871 0.955 -1.721 186 HE2 TYR 25 HE2 TYR 25 -14.707 0.897 1.991 187 HH TYR 25 HH TYR 25 -17.329 0.246 1.306 188 H PHE 26 H PHE 26 -9.599 3.506 -2.165 189 HA PHE 26 HA PHE 26 -7.831 1.868 -3.820 190 1HB PHE 26 2HB PHE 26 -8.091 4.555 -3.486 191 2HB PHE 26 1HB PHE 26 -6.723 4.235 -2.420 192 HD1 PHE 26 HD1 PHE 26 -4.722 4.754 -3.504 193 HD2 PHE 26 HD2 PHE 26 -7.833 2.743 -5.681 194 HE1 PHE 26 HE1 PHE 26 -3.226 4.572 -5.475 195 HE2 PHE 26 HE2 PHE 26 -6.337 2.561 -7.652 196 HZ PHE 26 HZ PHE 26 -4.033 3.476 -7.549 197 H MET 27 H MET 27 -6.812 0.169 -2.874 198 HA MET 27 HA MET 27 -6.106 0.272 -0.011 199 1HB MET 27 2HB MET 27 -7.029 -1.769 -1.432 200 2HB MET 27 1HB MET 27 -5.319 -1.994 -1.807 201 1HG MET 27 2HG MET 27 -4.860 -1.897 0.679 202 2HG MET 27 1HG MET 27 -6.604 -1.940 0.935 203 1HE MET 27 1HE MET 27 -8.178 -4.020 -0.075 204 2HE MET 27 2HE MET 27 -7.640 -3.765 1.583 205 3HE MET 27 3HE MET 27 -7.592 -5.383 0.888 206 H ILE 28 H ILE 28 -4.319 1.574 0.283 207 HA ILE 28 HA ILE 28 -2.065 1.477 -1.599 208 HB ILE 28 HB ILE 28 -2.686 3.607 -0.526 209 1HG1 ILE 28 2HG1 ILE 28 -0.449 4.246 0.260 210 2HG1 ILE 28 1HG1 ILE 28 -0.023 2.547 0.478 211 1HG2 ILE 28 1HG2 ILE 28 -1.631 3.107 2.105 212 2HG2 ILE 28 2HG2 ILE 28 -2.924 1.957 1.768 213 3HG2 ILE 28 3HG2 ILE 28 -3.233 3.688 1.655 214 1HD1 ILE 28 1HD1 ILE 28 0.261 2.192 -1.762 215 2HD1 ILE 28 2HD1 ILE 28 0.530 3.935 -1.786 216 3HD1 ILE 28 3HD1 ILE 28 -1.054 3.281 -2.205 217 H VAL 29 H VAL 29 -0.650 -0.205 -1.465 218 HA VAL 29 HA VAL 29 0.062 -1.189 1.270 219 HB VAL 29 HB VAL 29 -0.402 -2.766 -1.272 220 1HG1 VAL 29 1HG1 VAL 29 0.261 -4.468 0.905 221 2HG1 VAL 29 2HG1 VAL 29 1.521 -3.238 0.813 222 3HG1 VAL 29 3HG1 VAL 29 1.159 -4.238 -0.595 223 1HG2 VAL 29 1HG2 VAL 29 -2.376 -3.244 -0.297 224 2HG2 VAL 29 2HG2 VAL 29 -1.970 -2.153 1.028 225 3HG2 VAL 29 3HG2 VAL 29 -1.539 -3.860 1.127 226 H GLU 30 H GLU 30 2.212 -1.084 1.695 227 HA GLU 30 HA GLU 30 4.055 -0.645 -0.618 228 1HB GLU 30 2HB GLU 30 3.690 1.026 1.472 229 2HB GLU 30 1HB GLU 30 4.940 -0.015 2.153 230 1HG GLU 30 2HG GLU 30 6.218 0.347 -0.042 231 2HG GLU 30 1HG GLU 30 5.074 1.652 -0.363 232 H MET 31 H MET 31 5.151 -2.496 -1.089 233 HA MET 31 HA MET 31 5.896 -4.285 1.190 234 1HB MET 31 2HB MET 31 4.468 -5.452 -0.366 235 2HB MET 31 1HB MET 31 5.421 -4.890 -1.740 236 1HG MET 31 2HG MET 31 6.880 -6.591 -1.507 237 2HG MET 31 1HG MET 31 7.114 -6.221 0.200 238 1HE MET 31 1HE MET 31 3.271 -7.017 -0.837 239 2HE MET 31 2HE MET 31 3.655 -8.550 -1.614 240 3HE MET 31 3HE MET 31 4.435 -7.070 -2.168 241 H LYS 32 H LYS 32 8.049 -4.611 1.563 242 HA LYS 32 HA LYS 32 9.976 -3.153 -0.128 243 1HB LYS 32 2HB LYS 32 10.476 -4.812 2.361 244 2HB LYS 32 1HB LYS 32 11.584 -3.653 1.627 245 1HG LYS 32 2HG LYS 32 8.850 -2.710 2.394 246 2HG LYS 32 1HG LYS 32 10.042 -2.950 3.672 247 1HD LYS 32 2HD LYS 32 10.785 -1.414 1.195 248 2HD LYS 32 1HD LYS 32 9.903 -0.616 2.500 249 1HE LYS 32 2HE LYS 32 11.688 -0.680 3.925 250 2HE LYS 32 1HE LYS 32 12.231 -2.252 3.336 251 1HZ LYS 32 1HZ LYS 32 12.436 -0.226 1.337 252 2HZ LYS 32 2HZ LYS 32 13.623 -1.294 1.917 253 3HZ LYS 32 3HZ LYS 32 13.331 0.173 2.721 254 H LYS 33 H LYS 33 9.690 -6.488 1.147 255 HA LYS 33 HA LYS 33 10.637 -7.531 -1.446 256 1HB LYS 33 2HB LYS 33 12.417 -8.893 -0.321 257 2HB LYS 33 1HB LYS 33 12.744 -7.160 -0.281 258 1HG LYS 33 2HG LYS 33 11.145 -7.926 2.004 259 2HG LYS 33 1HG LYS 33 12.608 -8.909 1.925 260 1HD LYS 33 2HD LYS 33 12.453 -5.882 1.908 261 2HD LYS 33 1HD LYS 33 13.111 -6.900 3.189 262 1HE LYS 33 2HE LYS 33 15.118 -6.861 2.177 263 2HE LYS 33 1HE LYS 33 14.410 -7.637 0.762 264 1HZ LYS 33 1HZ LYS 33 14.151 -5.670 -0.310 265 2HZ LYS 33 2HZ LYS 33 15.502 -5.261 0.636 266 3HZ LYS 33 3HZ LYS 33 13.946 -4.774 1.115 267 H GLY 34 H GLY 34 8.225 -8.102 -1.004 268 1HA GLY 34 2HA GLY 34 6.763 -9.940 -0.759 269 2HA GLY 34 1HA GLY 34 8.132 -10.895 -0.186 270 H ASN 35 H ASN 35 7.952 -7.982 1.497 271 HA ASN 35 HA ASN 35 6.295 -9.218 3.655 272 1HB ASN 35 2HB ASN 35 9.085 -8.797 3.730 273 2HB ASN 35 1HB ASN 35 8.380 -7.522 4.725 274 1HD2 ASN 35 1HD2 ASN 35 9.833 -9.447 6.082 275 2HD2 ASN 35 2HD2 ASN 35 8.796 -10.488 6.931 276 H ILE 36 H ILE 36 4.512 -7.872 3.359 277 HA ILE 36 HA ILE 36 4.571 -5.115 2.711 278 HB ILE 36 HB ILE 36 2.531 -6.557 4.433 279 1HG1 ILE 36 2HG1 ILE 36 1.717 -6.151 1.713 280 2HG1 ILE 36 1HG1 ILE 36 3.286 -6.957 1.710 281 1HG2 ILE 36 1HG2 ILE 36 2.607 -3.918 2.997 282 2HG2 ILE 36 2HG2 ILE 36 1.997 -4.289 4.610 283 3HG2 ILE 36 3HG2 ILE 36 1.071 -4.763 3.186 284 1HD1 ILE 36 1HD1 ILE 36 1.945 -8.285 3.722 285 2HD1 ILE 36 2HD1 ILE 36 2.108 -8.861 2.063 286 3HD1 ILE 36 3HD1 ILE 36 0.662 -7.978 2.551 287 H GLU 37 H GLU 37 5.192 -3.363 3.884 288 HA GLU 37 HA GLU 37 5.721 -3.755 6.790 289 1HB GLU 37 2HB GLU 37 7.087 -1.693 6.590 290 2HB GLU 37 1HB GLU 37 7.617 -2.934 5.455 291 1HG GLU 37 2HG GLU 37 7.075 -1.671 3.659 292 2HG GLU 37 1HG GLU 37 5.517 -1.219 4.351 293 H SER 38 H SER 38 3.316 -2.606 4.818 294 HA SER 38 HA SER 38 1.797 -1.430 6.896 295 1HB SER 38 2HB SER 38 1.932 0.969 6.273 296 2HB SER 38 1HB SER 38 3.477 0.364 6.864 297 HG SER 38 HG SER 38 3.694 -0.114 4.411 298 H SER 39 H SER 39 -0.261 -1.646 6.147 299 HA SER 39 HA SER 39 -0.773 -1.120 3.258 300 1HB SER 39 2HB SER 39 -2.475 -3.181 3.698 301 2HB SER 39 1HB SER 39 -0.859 -3.393 3.029 302 HG SER 39 HG SER 39 -1.128 -4.766 4.789 303 H GLU 40 H GLU 40 -2.106 0.638 3.425 304 HA GLU 40 HA GLU 40 -4.331 0.493 5.418 305 1HB GLU 40 2HB GLU 40 -2.561 2.672 4.526 306 2HB GLU 40 1HB GLU 40 -4.269 3.108 4.572 307 1HG GLU 40 2HG GLU 40 -4.312 3.096 6.831 308 2HG GLU 40 1HG GLU 40 -3.457 1.554 6.912 309 H VAL 41 H VAL 41 -6.393 1.527 4.651 310 HA VAL 41 HA VAL 41 -6.708 1.386 1.687 311 HB VAL 41 HB VAL 41 -7.470 -0.747 2.813 312 1HG1 VAL 41 1HG1 VAL 41 -8.314 0.573 4.856 313 2HG1 VAL 41 2HG1 VAL 41 -9.349 -0.728 4.266 314 3HG1 VAL 41 3HG1 VAL 41 -9.732 0.950 3.879 315 1HG2 VAL 41 1HG2 VAL 41 -9.893 0.650 1.728 316 2HG2 VAL 41 2HG2 VAL 41 -9.277 -0.961 1.363 317 3HG2 VAL 41 3HG2 VAL 41 -8.486 0.461 0.681 318 H ILE 42 H ILE 42 -7.491 3.329 1.039 319 HA ILE 42 HA ILE 42 -9.442 4.714 2.837 320 HB ILE 42 HB ILE 42 -8.476 6.857 2.174 321 1HG1 ILE 42 2HG1 ILE 42 -6.559 5.155 0.544 322 2HG1 ILE 42 1HG1 ILE 42 -7.787 6.244 -0.103 323 1HG2 ILE 42 1HG2 ILE 42 -6.807 6.718 3.711 324 2HG2 ILE 42 2HG2 ILE 42 -5.963 5.458 2.813 325 3HG2 ILE 42 3HG2 ILE 42 -7.309 5.034 3.870 326 1HD1 ILE 42 1HD1 ILE 42 -5.130 6.897 0.563 327 2HD1 ILE 42 2HD1 ILE 42 -6.127 7.633 1.818 328 3HD1 ILE 42 3HD1 ILE 42 -6.419 8.017 0.122 329 H GLU 43 H GLU 43 -11.311 5.345 1.829 330 HA GLU 43 HA GLU 43 -11.774 4.520 -0.919 331 1HB GLU 43 2HB GLU 43 -13.504 6.229 0.895 332 2HB GLU 43 1HB GLU 43 -14.028 5.418 -0.580 333 1HG GLU 43 2HG GLU 43 -14.405 3.519 0.563 334 2HG GLU 43 1HG GLU 43 -12.733 3.503 1.128 335 H ASN 44 H ASN 44 -12.080 5.883 -2.731 336 HA ASN 44 HA ASN 44 -10.429 8.088 -3.086 337 1HB ASN 44 2HB ASN 44 -13.157 7.737 -4.367 338 2HB ASN 44 1HB ASN 44 -11.820 8.696 -5.003 339 1HD2 ASN 44 1HD2 ASN 44 -12.496 6.889 -6.813 340 2HD2 ASN 44 2HD2 ASN 44 -11.511 5.508 -6.790 341 HA PRO 45 HA PRO 45 -12.277 11.371 -0.832 342 1HB PRO 45 2HB PRO 45 -11.232 13.484 -2.247 343 2HB PRO 45 1HB PRO 45 -10.287 12.499 -1.117 344 1HG PRO 45 2HG PRO 45 -10.241 12.499 -4.098 345 2HG PRO 45 1HG PRO 45 -8.966 12.042 -2.956 346 1HD PRO 45 2HD PRO 45 -10.632 10.256 -4.396 347 2HD PRO 45 1HD PRO 45 -9.577 9.833 -3.030 348 H SER 46 H SER 46 -12.402 11.838 -4.386 349 HA SER 46 HA SER 46 -15.174 12.905 -4.024 350 1HB SER 46 2HB SER 46 -14.800 14.234 -6.061 351 2HB SER 46 1HB SER 46 -13.583 14.613 -4.846 352 HG SER 46 HG SER 46 -13.362 13.212 -7.256 353 H ALA 47 H ALA 47 -15.086 10.231 -4.160 354 HA ALA 47 HA ALA 47 -14.917 9.018 -6.723 355 1HB ALA 47 1HB ALA 47 -15.627 8.205 -4.134 356 2HB ALA 47 2HB ALA 47 -15.508 7.175 -5.561 357 3HB ALA 47 3HB ALA 47 -17.059 7.886 -5.114 358 H SER 48 H SER 48 -17.686 10.526 -5.059 359 HA SER 48 HA SER 48 -18.875 11.228 -7.638 360 1HB SER 48 2HB SER 48 -19.710 8.825 -6.229 361 2HB SER 48 1HB SER 48 -21.042 9.967 -6.384 362 HG SER 48 HG SER 48 -19.357 8.995 -8.458 363 H ALA 49 H ALA 49 -18.896 13.371 -6.895 364 HA ALA 49 HA ALA 49 -21.119 14.171 -5.263 365 1HB ALA 49 1HB ALA 49 -18.449 14.666 -3.940 366 2HB ALA 49 2HB ALA 49 -19.428 13.254 -3.548 367 3HB ALA 49 3HB ALA 49 -20.061 14.874 -3.257 368 H SER 50 H SER 50 -17.764 15.321 -5.810 369 HA SER 50 HA SER 50 -18.639 18.028 -6.336 370 1HB SER 50 2HB SER 50 -16.352 17.429 -5.512 371 2HB SER 50 1HB SER 50 -16.010 16.711 -7.083 372 HG SER 50 HG SER 50 -16.675 18.870 -7.913 373 H GLY 51 H GLY 51 -18.589 15.178 -8.219 374 1HA GLY 51 2HA GLY 51 -19.659 15.081 -10.388 375 2HA GLY 51 1HA GLY 51 -19.266 16.784 -10.625 376 H GLY 52 H GLY 52 -17.970 13.512 -10.711 377 1HA GLY 52 2HA GLY 52 -15.911 14.432 -12.614 378 2HA GLY 52 1HA GLY 52 -15.310 13.684 -11.133 379 H ALA 53 H ALA 53 -14.940 12.601 -13.773 380 HA ALA 53 HA ALA 53 -16.858 10.448 -14.180 381 1HB ALA 53 1HB ALA 53 -14.889 11.644 -15.727 382 2HB ALA 53 2HB ALA 53 -15.783 10.185 -16.155 383 3HB ALA 53 3HB ALA 53 -14.209 10.057 -15.368 384 H GLY 54 H GLY 54 -14.045 10.906 -12.227 385 1HA GLY 54 2HA GLY 54 -13.765 9.275 -10.365 386 2HA GLY 54 1HA GLY 54 -14.119 7.998 -11.529 387 H ILE 55 H ILE 55 -12.506 9.059 -13.672 388 HA ILE 55 HA ILE 55 -9.964 7.921 -12.963 389 HB ILE 55 HB ILE 55 -10.628 9.728 -15.308 390 1HG1 ILE 55 2HG1 ILE 55 -12.141 7.763 -15.136 391 2HG1 ILE 55 1HG1 ILE 55 -11.064 7.638 -16.527 392 1HG2 ILE 55 1HG2 ILE 55 -8.762 8.061 -16.240 393 2HG2 ILE 55 2HG2 ILE 55 -8.306 8.009 -14.537 394 3HG2 ILE 55 3HG2 ILE 55 -8.325 9.548 -15.398 395 1HD1 ILE 55 1HD1 ILE 55 -11.357 5.795 -14.377 396 2HD1 ILE 55 2HD1 ILE 55 -9.746 6.501 -14.249 397 3HD1 ILE 55 3HD1 ILE 55 -10.241 5.700 -15.740 398 H ARG 56 H ARG 56 -11.304 11.018 -12.444 399 HA ARG 56 HA ARG 56 -8.906 12.605 -12.583 400 1HB ARG 56 2HB ARG 56 -11.326 13.440 -12.481 401 2HB ARG 56 1HB ARG 56 -11.253 13.123 -10.747 402 1HG ARG 56 2HG ARG 56 -9.933 14.927 -10.352 403 2HG ARG 56 1HG ARG 56 -8.943 14.625 -11.782 404 1HD ARG 56 2HD ARG 56 -11.575 15.392 -12.629 405 2HD ARG 56 1HD ARG 56 -10.986 16.577 -11.463 406 HE ARG 56 HE ARG 56 -8.952 15.944 -13.416 407 1HH1 ARG 56 2HH1 ARG 56 -9.340 18.695 -12.459 408 2HH1 ARG 56 1HH1 ARG 56 -10.109 19.476 -13.800 409 1HH2 ARG 56 1HH2 ARG 56 -11.036 16.509 -15.338 410 2HH2 ARG 56 2HH2 ARG 56 -11.067 18.238 -15.431 411 H THR 57 H THR 57 -9.805 10.119 -10.487 412 HA THR 57 HA THR 57 -8.574 11.163 -8.061 413 HB THR 57 HB THR 57 -10.352 9.366 -8.114 414 HG1 THR 57 HG1 THR 57 -7.995 8.395 -6.922 415 1HG2 THR 57 1HG2 THR 57 -9.938 7.258 -8.961 416 2HG2 THR 57 2HG2 THR 57 -8.199 7.381 -8.697 417 3HG2 THR 57 3HG2 THR 57 -8.943 8.216 -10.059 418 H ALA 58 H ALA 58 -7.415 9.770 -10.970 419 HA ALA 58 HA ALA 58 -5.116 8.367 -10.092 420 1HB ALA 58 1HB ALA 58 -4.196 8.824 -12.324 421 2HB ALA 58 2HB ALA 58 -5.398 10.089 -12.576 422 3HB ALA 58 3HB ALA 58 -5.905 8.405 -12.446 423 H GLN 59 H GLN 59 -5.712 11.827 -10.414 424 HA GLN 59 HA GLN 59 -2.986 12.684 -10.170 425 1HB GLN 59 2HB GLN 59 -5.235 14.002 -10.729 426 2HB GLN 59 1HB GLN 59 -5.191 14.326 -8.995 427 1HG GLN 59 2HG GLN 59 -2.849 15.154 -9.247 428 2HG GLN 59 1HG GLN 59 -2.989 14.927 -10.991 429 1HE2 GLN 59 1HE2 GLN 59 -2.532 17.450 -10.713 430 2HE2 GLN 59 2HE2 GLN 59 -3.916 18.429 -10.628 431 H ILE 60 H ILE 60 -5.573 12.437 -7.699 432 HA ILE 60 HA ILE 60 -3.876 13.068 -5.487 433 HB ILE 60 HB ILE 60 -6.421 11.422 -5.613 434 1HG1 ILE 60 2HG1 ILE 60 -6.623 13.793 -6.323 435 2HG1 ILE 60 1HG1 ILE 60 -7.469 13.497 -4.804 436 1HG2 ILE 60 1HG2 ILE 60 -6.441 12.203 -3.108 437 2HG2 ILE 60 2HG2 ILE 60 -4.697 12.340 -3.327 438 3HG2 ILE 60 3HG2 ILE 60 -5.495 10.785 -3.562 439 1HD1 ILE 60 1HD1 ILE 60 -6.205 15.041 -3.770 440 2HD1 ILE 60 2HD1 ILE 60 -5.409 15.392 -5.305 441 3HD1 ILE 60 3HD1 ILE 60 -4.740 14.170 -4.224 442 H ILE 61 H ILE 61 -4.358 10.138 -7.315 443 HA ILE 61 HA ILE 61 -3.290 8.315 -5.344 444 HB ILE 61 HB ILE 61 -3.612 8.174 -8.349 445 1HG1 ILE 61 2HG1 ILE 61 -4.910 6.644 -6.071 446 2HG1 ILE 61 1HG1 ILE 61 -5.631 8.037 -6.877 447 1HG2 ILE 61 1HG2 ILE 61 -1.616 6.859 -7.682 448 2HG2 ILE 61 2HG2 ILE 61 -2.938 5.813 -8.201 449 3HG2 ILE 61 3HG2 ILE 61 -2.591 6.010 -6.483 450 1HD1 ILE 61 1HD1 ILE 61 -4.816 5.465 -8.262 451 2HD1 ILE 61 2HD1 ILE 61 -5.613 6.845 -9.017 452 3HD1 ILE 61 3HD1 ILE 61 -6.466 5.887 -7.807 453 H ALA 62 H ALA 62 -1.860 10.201 -7.994 454 HA ALA 62 HA ALA 62 0.797 9.086 -7.620 455 1HB ALA 62 1HB ALA 62 0.901 11.687 -8.823 456 2HB ALA 62 2HB ALA 62 -0.487 10.819 -9.481 457 3HB ALA 62 3HB ALA 62 1.127 10.116 -9.592 458 H ASN 63 H ASN 63 -1.029 11.694 -6.193 459 HA ASN 63 HA ASN 63 1.294 13.063 -5.083 460 1HB ASN 63 2HB ASN 63 -1.425 13.659 -5.379 461 2HB ASN 63 1HB ASN 63 -1.193 13.512 -3.637 462 1HD2 ASN 63 1HD2 ASN 63 -0.621 15.473 -2.705 463 2HD2 ASN 63 2HD2 ASN 63 0.313 16.677 -3.452 464 H ASN 64 H ASN 64 -0.164 10.137 -4.386 465 HA ASN 64 HA ASN 64 0.418 10.313 -1.473 466 1HB ASN 64 2HB ASN 64 -0.798 7.974 -2.958 467 2HB ASN 64 1HB ASN 64 -0.874 8.317 -1.229 468 1HD2 ASN 64 1HD2 ASN 64 -3.260 7.962 -2.791 469 2HD2 ASN 64 2HD2 ASN 64 -4.079 9.448 -2.851 470 H GLY 65 H GLY 65 2.093 9.651 -4.218 471 1HA GLY 65 2HA GLY 65 4.333 8.797 -4.263 472 2HA GLY 65 1HA GLY 65 4.023 7.974 -2.734 473 H VAL 66 H VAL 66 1.352 7.277 -4.427 474 HA VAL 66 HA VAL 66 1.919 4.547 -4.835 475 HB VAL 66 HB VAL 66 -0.041 6.252 -6.402 476 1HG1 VAL 66 1HG1 VAL 66 0.110 3.277 -5.830 477 2HG1 VAL 66 2HG1 VAL 66 0.275 4.056 -7.405 478 3HG1 VAL 66 3HG1 VAL 66 -1.276 4.079 -6.567 479 1HG2 VAL 66 1HG2 VAL 66 -0.799 6.608 -4.258 480 2HG2 VAL 66 2HG2 VAL 66 -0.018 5.157 -3.630 481 3HG2 VAL 66 3HG2 VAL 66 -1.531 5.025 -4.526 482 H LYS 67 H LYS 67 3.973 4.374 -5.870 483 HA LYS 67 HA LYS 67 4.354 5.513 -8.540 484 1HB LYS 67 2HB LYS 67 6.073 4.632 -6.571 485 2HB LYS 67 1HB LYS 67 6.127 3.305 -7.731 486 1HG LYS 67 2HG LYS 67 6.734 4.810 -9.525 487 2HG LYS 67 1HG LYS 67 6.486 6.216 -8.490 488 1HD LYS 67 2HD LYS 67 8.302 5.383 -6.991 489 2HD LYS 67 1HD LYS 67 8.596 4.070 -8.131 490 1HE LYS 67 2HE LYS 67 10.123 5.586 -8.950 491 2HE LYS 67 1HE LYS 67 8.707 6.118 -9.855 492 1HZ LYS 67 1HZ LYS 67 8.700 8.045 -8.786 493 2HZ LYS 67 2HZ LYS 67 10.215 7.632 -8.137 494 3HZ LYS 67 3HZ LYS 67 8.795 7.297 -7.267 495 H ALA 68 H ALA 68 2.800 2.795 -7.223 496 HA ALA 68 HA ALA 68 2.751 1.512 -9.928 497 1HB ALA 68 1HB ALA 68 3.443 -0.449 -9.055 498 2HB ALA 68 2HB ALA 68 2.206 -0.373 -7.801 499 3HB ALA 68 3HB ALA 68 3.773 0.397 -7.543 500 H VAL 69 H VAL 69 0.695 1.195 -10.702 501 HA VAL 69 HA VAL 69 -1.549 1.362 -8.733 502 HB VAL 69 HB VAL 69 -1.784 2.487 -11.516 503 1HG1 VAL 69 1HG1 VAL 69 -3.891 2.623 -10.665 504 2HG1 VAL 69 2HG1 VAL 69 -3.262 4.016 -9.787 505 3HG1 VAL 69 3HG1 VAL 69 -3.332 2.439 -9.003 506 1HG2 VAL 69 1HG2 VAL 69 0.071 3.734 -10.720 507 2HG2 VAL 69 2HG2 VAL 69 -0.555 3.767 -9.070 508 3HG2 VAL 69 3HG2 VAL 69 -1.326 4.737 -10.326 509 H ILE 70 H ILE 70 -2.279 -0.728 -8.749 510 HA ILE 70 HA ILE 70 -2.422 -2.207 -11.308 511 HB ILE 70 HB ILE 70 -3.103 -3.045 -8.471 512 1HG1 ILE 70 2HG1 ILE 70 -0.695 -3.523 -10.252 513 2HG1 ILE 70 1HG1 ILE 70 -0.723 -2.661 -8.714 514 1HG2 ILE 70 1HG2 ILE 70 -3.730 -4.223 -11.016 515 2HG2 ILE 70 2HG2 ILE 70 -4.089 -4.839 -9.403 516 3HG2 ILE 70 3HG2 ILE 70 -2.561 -5.248 -10.183 517 1HD1 ILE 70 1HD1 ILE 70 -0.271 -5.421 -9.116 518 2HD1 ILE 70 2HD1 ILE 70 -1.868 -5.289 -8.379 519 3HD1 ILE 70 3HD1 ILE 70 -0.465 -4.583 -7.576 520 H ALA 71 H ALA 71 -4.254 -2.048 -12.513 521 HA ALA 71 HA ALA 71 -6.875 -1.969 -11.142 522 1HB ALA 71 1HB ALA 71 -7.376 -0.066 -12.980 523 2HB ALA 71 2HB ALA 71 -5.674 0.281 -12.675 524 3HB ALA 71 3HB ALA 71 -6.832 0.317 -11.346 525 H SER 72 H SER 72 -8.638 -1.890 -12.978 526 HA SER 72 HA SER 72 -7.722 -3.540 -15.292 527 1HB SER 72 2HB SER 72 -9.234 -4.499 -13.139 528 2HB SER 72 1HB SER 72 -10.417 -4.205 -14.411 529 HG SER 72 HG SER 72 -8.923 -5.382 -15.808 530 H SER 73 H SER 73 -8.288 -0.693 -15.156 531 HA SER 73 HA SER 73 -10.812 0.175 -15.872 532 1HB SER 73 2HB SER 73 -8.207 1.194 -16.098 533 2HB SER 73 1HB SER 73 -8.875 1.285 -17.726 534 HG SER 73 HG SER 73 -9.294 3.011 -15.945 535 HA PRO 74 HA PRO 74 -11.660 -2.163 -19.545 536 1HB PRO 74 2HB PRO 74 -14.048 -0.932 -20.128 537 2HB PRO 74 1HB PRO 74 -13.865 -2.165 -18.868 538 1HG PRO 74 2HG PRO 74 -14.205 0.781 -18.572 539 2HG PRO 74 1HG PRO 74 -14.623 -0.517 -17.441 540 1HD PRO 74 2HD PRO 74 -12.343 1.162 -17.282 541 2HD PRO 74 1HD PRO 74 -12.617 -0.324 -16.349 542 H GLY 75 H GLY 75 -11.354 1.299 -19.379 543 1HA GLY 75 2HA GLY 75 -11.095 1.414 -22.358 544 2HA GLY 75 1HA GLY 75 -11.576 2.791 -21.365 545 HA PRO 76 HA PRO 76 -6.841 2.346 -21.725 546 1HB PRO 76 2HB PRO 76 -6.337 3.447 -24.192 547 2HB PRO 76 1HB PRO 76 -6.535 1.708 -23.919 548 1HG PRO 76 2HG PRO 76 -8.432 3.637 -25.171 549 2HG PRO 76 1HG PRO 76 -8.284 1.889 -25.418 550 1HD PRO 76 2HD PRO 76 -10.238 3.184 -23.827 551 2HD PRO 76 1HD PRO 76 -9.878 1.444 -23.834 552 H ASN 77 H ASN 77 -9.183 4.602 -21.538 553 HA ASN 77 HA ASN 77 -7.712 7.045 -22.088 554 1HB ASN 77 2HB ASN 77 -10.381 6.313 -21.305 555 2HB ASN 77 1HB ASN 77 -9.777 7.551 -20.204 556 1HD2 ASN 77 1HD2 ASN 77 -9.648 9.689 -20.998 557 2HD2 ASN 77 2HD2 ASN 77 -9.957 10.121 -22.610 558 H ALA 78 H ALA 78 -8.470 5.187 -19.142 559 HA ALA 78 HA ALA 78 -7.177 7.034 -17.346 560 1HB ALA 78 1HB ALA 78 -7.094 4.307 -16.386 561 2HB ALA 78 2HB ALA 78 -8.662 4.645 -17.119 562 3HB ALA 78 3HB ALA 78 -8.068 5.657 -15.802 563 H PHE 79 H PHE 79 -6.104 3.916 -18.741 564 HA PHE 79 HA PHE 79 -3.547 3.770 -17.634 565 1HB PHE 79 2HB PHE 79 -4.205 3.142 -20.526 566 2HB PHE 79 1HB PHE 79 -2.909 2.440 -19.559 567 HD1 PHE 79 HD1 PHE 79 -5.233 0.959 -20.991 568 HD2 PHE 79 HD2 PHE 79 -4.688 2.359 -16.964 569 HE1 PHE 79 HE1 PHE 79 -6.789 -0.792 -20.173 570 HE2 PHE 79 HE2 PHE 79 -6.244 0.608 -16.146 571 HZ PHE 79 HZ PHE 79 -7.295 -0.967 -17.749 572 H GLU 80 H GLU 80 -4.625 5.744 -20.383 573 HA GLU 80 HA GLU 80 -2.017 6.683 -21.127 574 1HB GLU 80 2HB GLU 80 -4.336 6.883 -22.358 575 2HB GLU 80 1HB GLU 80 -4.466 8.390 -21.450 576 1HG GLU 80 2HG GLU 80 -3.057 9.410 -22.874 577 2HG GLU 80 1HG GLU 80 -1.823 8.188 -22.568 578 H VAL 81 H VAL 81 -4.534 8.105 -19.019 579 HA VAL 81 HA VAL 81 -3.211 10.490 -18.340 580 HB VAL 81 HB VAL 81 -4.939 8.711 -16.595 581 1HG1 VAL 81 1HG1 VAL 81 -5.343 10.918 -15.379 582 2HG1 VAL 81 2HG1 VAL 81 -3.938 11.546 -16.243 583 3HG1 VAL 81 3HG1 VAL 81 -3.756 10.189 -15.130 584 1HG2 VAL 81 1HG2 VAL 81 -6.208 11.119 -17.428 585 2HG2 VAL 81 2HG2 VAL 81 -6.619 9.468 -17.890 586 3HG2 VAL 81 3HG2 VAL 81 -5.474 10.396 -18.860 587 H LEU 82 H LEU 82 -2.986 7.331 -16.670 588 HA LEU 82 HA LEU 82 -1.083 8.095 -14.722 589 1HB LEU 82 2HB LEU 82 -1.852 5.514 -16.021 590 2HB LEU 82 1HB LEU 82 -0.364 5.552 -15.072 591 HG LEU 82 HG LEU 82 -2.757 6.834 -13.852 592 1HD1 LEU 82 1HD1 LEU 82 -3.342 4.513 -14.986 593 2HD1 LEU 82 2HD1 LEU 82 -3.906 4.877 -13.355 594 3HD1 LEU 82 3HD1 LEU 82 -2.483 3.860 -13.591 595 1HD2 LEU 82 1HD2 LEU 82 -0.646 4.936 -12.777 596 2HD2 LEU 82 2HD2 LEU 82 -1.767 5.910 -11.824 597 3HD2 LEU 82 3HD2 LEU 82 -0.501 6.695 -12.770 598 H ASN 83 H ASN 83 -0.673 7.287 -18.125 599 HA ASN 83 HA ASN 83 2.157 6.902 -18.108 600 1HB ASN 83 2HB ASN 83 0.068 7.400 -20.111 601 2HB ASN 83 1HB ASN 83 1.632 8.088 -20.549 602 1HD2 ASN 83 1HD2 ASN 83 0.636 5.901 -22.032 603 2HD2 ASN 83 2HD2 ASN 83 1.571 4.525 -21.694 604 H GLU 84 H GLU 84 0.237 9.852 -18.775 605 HA GLU 84 HA GLU 84 2.492 11.593 -19.024 606 1HB GLU 84 2HB GLU 84 0.375 12.385 -19.817 607 2HB GLU 84 1HB GLU 84 -0.394 12.094 -18.256 608 1HG GLU 84 2HG GLU 84 0.365 14.049 -17.383 609 2HG GLU 84 1HG GLU 84 1.953 13.874 -18.130 610 H LEU 85 H LEU 85 0.799 10.297 -16.248 611 HA LEU 85 HA LEU 85 1.848 12.199 -14.328 612 1HB LEU 85 2HB LEU 85 0.411 9.585 -14.222 613 2HB LEU 85 1HB LEU 85 1.314 10.069 -12.785 614 HG LEU 85 HG LEU 85 -0.585 11.966 -14.166 615 1HD1 LEU 85 1HD1 LEU 85 -1.910 10.009 -13.594 616 2HD1 LEU 85 2HD1 LEU 85 -2.253 11.283 -12.424 617 3HD1 LEU 85 3HD1 LEU 85 -1.188 9.945 -11.986 618 1HD2 LEU 85 1HD2 LEU 85 1.167 12.728 -12.469 619 2HD2 LEU 85 2HD2 LEU 85 0.278 11.792 -11.268 620 3HD2 LEU 85 3HD2 LEU 85 -0.501 13.149 -12.082 621 H GLY 86 H GLY 86 2.950 9.107 -15.634 622 1HA GLY 86 2HA GLY 86 5.312 8.556 -15.743 623 2HA GLY 86 1HA GLY 86 5.588 9.611 -14.356 624 H ILE 87 H ILE 87 2.845 7.523 -14.196 625 HA ILE 87 HA ILE 87 4.275 5.898 -12.145 626 HB ILE 87 HB ILE 87 1.286 6.068 -12.599 627 1HG1 ILE 87 2HG1 ILE 87 3.012 7.694 -10.701 628 2HG1 ILE 87 1HG1 ILE 87 2.230 8.323 -12.152 629 1HG2 ILE 87 1HG2 ILE 87 1.343 5.416 -10.137 630 2HG2 ILE 87 2HG2 ILE 87 3.069 5.123 -10.343 631 3HG2 ILE 87 3HG2 ILE 87 1.899 4.177 -11.261 632 1HD1 ILE 87 1HD1 ILE 87 0.467 8.786 -10.809 633 2HD1 ILE 87 2HD1 ILE 87 1.082 7.758 -9.515 634 3HD1 ILE 87 3HD1 ILE 87 0.152 7.051 -10.837 635 H LYS 88 H LYS 88 3.658 3.552 -12.059 636 HA LYS 88 HA LYS 88 3.593 2.457 -14.809 637 1HB LYS 88 2HB LYS 88 4.188 1.271 -12.094 638 2HB LYS 88 1HB LYS 88 3.989 0.262 -13.526 639 1HG LYS 88 2HG LYS 88 6.121 0.685 -14.095 640 2HG LYS 88 1HG LYS 88 5.720 2.397 -14.248 641 1HD LYS 88 2HD LYS 88 6.020 2.570 -11.725 642 2HD LYS 88 1HD LYS 88 6.707 0.947 -11.781 643 1HE LYS 88 2HE LYS 88 8.214 1.972 -13.686 644 2HE LYS 88 1HE LYS 88 7.795 3.503 -12.916 645 1HZ LYS 88 1HZ LYS 88 9.760 2.736 -11.890 646 2HZ LYS 88 2HZ LYS 88 9.146 1.164 -11.692 647 3HZ LYS 88 3HZ LYS 88 8.512 2.449 -10.777 648 H ILE 89 H ILE 89 1.964 0.993 -15.511 649 HA ILE 89 HA ILE 89 -0.445 0.882 -13.739 650 HB ILE 89 HB ILE 89 -0.561 0.795 -16.755 651 1HG1 ILE 89 2HG1 ILE 89 -1.163 3.340 -15.321 652 2HG1 ILE 89 1HG1 ILE 89 0.538 2.945 -15.554 653 1HG2 ILE 89 1HG2 ILE 89 -2.589 1.821 -14.761 654 2HG2 ILE 89 2HG2 ILE 89 -2.492 0.115 -15.201 655 3HG2 ILE 89 3HG2 ILE 89 -2.858 1.324 -16.432 656 1HD1 ILE 89 1HD1 ILE 89 -0.268 4.261 -17.452 657 2HD1 ILE 89 2HD1 ILE 89 -1.569 3.103 -17.726 658 3HD1 ILE 89 3HD1 ILE 89 0.108 2.621 -17.981 659 H TYR 90 H TYR 90 -1.205 -1.150 -13.330 660 HA TYR 90 HA TYR 90 -0.092 -3.386 -14.979 661 1HB TYR 90 2HB TYR 90 -0.972 -3.645 -12.103 662 2HB TYR 90 1HB TYR 90 0.058 -4.732 -13.035 663 HD1 TYR 90 HD1 TYR 90 2.364 -3.993 -13.709 664 HD2 TYR 90 HD2 TYR 90 -0.075 -1.726 -10.993 665 HE1 TYR 90 HE1 TYR 90 4.369 -2.739 -12.956 666 HE2 TYR 90 HE2 TYR 90 1.928 -0.473 -10.240 667 HH TYR 90 HH TYR 90 5.153 -1.409 -11.205 668 H ARG 91 H ARG 91 -1.546 -5.302 -15.104 669 HA ARG 91 HA ARG 91 -4.380 -4.414 -15.269 670 1HB ARG 91 2HB ARG 91 -2.683 -6.133 -16.855 671 2HB ARG 91 1HB ARG 91 -4.109 -7.022 -16.320 672 1HG ARG 91 2HG ARG 91 -5.579 -5.611 -17.432 673 2HG ARG 91 1HG ARG 91 -4.465 -4.243 -17.383 674 1HD ARG 91 2HD ARG 91 -3.884 -4.754 -19.499 675 2HD ARG 91 1HD ARG 91 -3.121 -6.211 -18.862 676 HE ARG 91 HE ARG 91 -5.063 -7.471 -19.516 677 1HH1 ARG 91 2HH1 ARG 91 -4.657 -5.396 -21.807 678 2HH1 ARG 91 1HH1 ARG 91 -6.305 -4.955 -22.105 679 1HH2 ARG 91 1HH2 ARG 91 -7.488 -6.343 -19.155 680 2HH2 ARG 91 2HH2 ARG 91 -7.907 -5.492 -20.604 681 H ALA 92 H ALA 92 -5.959 -5.345 -14.002 682 HA ALA 92 HA ALA 92 -5.090 -6.995 -11.747 683 1HB ALA 92 1HB ALA 92 -7.976 -6.492 -12.399 684 2HB ALA 92 2HB ALA 92 -6.972 -5.146 -11.860 685 3HB ALA 92 3HB ALA 92 -7.185 -6.557 -10.824 686 H THR 93 H THR 93 -5.184 -9.192 -11.663 687 HA THR 93 HA THR 93 -5.823 -10.756 -13.968 688 HB THR 93 HB THR 93 -6.076 -12.229 -11.459 689 HG1 THR 93 HG1 THR 93 -4.810 -10.729 -10.521 690 1HG2 THR 93 1HG2 THR 93 -4.237 -13.504 -12.443 691 2HG2 THR 93 2HG2 THR 93 -3.970 -12.235 -13.638 692 3HG2 THR 93 3HG2 THR 93 -5.460 -13.178 -13.670 693 H GLY 94 H GLY 94 -7.690 -9.977 -11.043 694 1HA GLY 94 2HA GLY 94 -10.114 -9.707 -11.177 695 2HA GLY 94 1HA GLY 94 -10.131 -10.863 -12.508 696 H THR 95 H THR 95 -8.144 -11.588 -9.756 697 HA THR 95 HA THR 95 -10.090 -13.730 -9.012 698 HB THR 95 HB THR 95 -7.653 -14.289 -7.763 699 HG1 THR 95 HG1 THR 95 -7.095 -13.721 -10.454 700 1HG2 THR 95 1HG2 THR 95 -8.386 -16.221 -8.653 701 2HG2 THR 95 2HG2 THR 95 -7.682 -15.701 -10.184 702 3HG2 THR 95 3HG2 THR 95 -9.377 -15.363 -9.834 703 H SER 96 H SER 96 -7.395 -12.474 -7.093 704 HA SER 96 HA SER 96 -9.283 -11.171 -5.215 705 1HB SER 96 2HB SER 96 -7.663 -13.628 -4.630 706 2HB SER 96 1HB SER 96 -7.918 -12.447 -3.349 707 HG SER 96 HG SER 96 -9.629 -14.259 -4.402 708 H VAL 97 H VAL 97 -8.328 -9.414 -4.217 709 HA VAL 97 HA VAL 97 -5.829 -8.432 -5.211 710 HB VAL 97 HB VAL 97 -7.397 -7.619 -2.745 711 1HG1 VAL 97 1HG1 VAL 97 -4.823 -6.771 -3.819 712 2HG1 VAL 97 2HG1 VAL 97 -5.590 -6.345 -2.289 713 3HG1 VAL 97 3HG1 VAL 97 -5.974 -5.436 -3.751 714 1HG2 VAL 97 1HG2 VAL 97 -7.848 -5.661 -4.499 715 2HG2 VAL 97 2HG2 VAL 97 -8.838 -7.120 -4.489 716 3HG2 VAL 97 3HG2 VAL 97 -7.530 -6.951 -5.660 717 H GLU 98 H GLU 98 -6.679 -10.333 -2.371 718 HA GLU 98 HA GLU 98 -4.326 -9.977 -0.840 719 1HB GLU 98 2HB GLU 98 -6.584 -11.593 -0.681 720 2HB GLU 98 1HB GLU 98 -5.262 -12.747 -0.862 721 1HG GLU 98 2HG GLU 98 -4.138 -11.080 0.935 722 2HG GLU 98 1HG GLU 98 -5.835 -10.856 1.362 723 H GLU 99 H GLU 99 -4.987 -12.273 -3.489 724 HA GLU 99 HA GLU 99 -2.317 -13.423 -3.374 725 1HB GLU 99 2HB GLU 99 -4.448 -13.527 -5.531 726 2HB GLU 99 1HB GLU 99 -2.971 -14.491 -5.529 727 1HG GLU 99 2HG GLU 99 -4.766 -14.551 -3.123 728 2HG GLU 99 1HG GLU 99 -5.192 -15.506 -4.544 729 H ASN 100 H ASN 100 -3.903 -10.882 -5.256 730 HA ASN 100 HA ASN 100 -1.956 -10.474 -7.251 731 1HB ASN 100 2HB ASN 100 -3.564 -8.357 -5.789 732 2HB ASN 100 1HB ASN 100 -2.783 -8.158 -7.358 733 1HD2 ASN 100 1HD2 ASN 100 -5.335 -7.694 -7.715 734 2HD2 ASN 100 2HD2 ASN 100 -6.214 -9.036 -8.269 735 H LEU 101 H LEU 101 -2.002 -9.367 -3.882 736 HA LEU 101 HA LEU 101 0.118 -7.550 -3.887 737 1HB LEU 101 2HB LEU 101 -1.265 -9.118 -1.934 738 2HB LEU 101 1HB LEU 101 0.465 -9.242 -1.612 739 HG LEU 101 HG LEU 101 0.509 -6.674 -1.925 740 1HD1 LEU 101 1HD1 LEU 101 -2.087 -6.194 -0.923 741 2HD1 LEU 101 2HD1 LEU 101 -2.296 -7.260 -2.312 742 3HD1 LEU 101 3HD1 LEU 101 -1.450 -5.724 -2.498 743 1HD2 LEU 101 1HD2 LEU 101 -0.944 -7.925 0.431 744 2HD2 LEU 101 2HD2 LEU 101 -0.180 -6.336 0.437 745 3HD2 LEU 101 3HD2 LEU 101 0.806 -7.787 0.251 746 H LYS 102 H LYS 102 0.402 -11.096 -3.432 747 HA LYS 102 HA LYS 102 3.287 -11.058 -3.538 748 1HB LYS 102 2HB LYS 102 1.226 -13.252 -3.838 749 2HB LYS 102 1HB LYS 102 2.957 -13.567 -3.963 750 1HG LYS 102 2HG LYS 102 2.483 -11.941 -1.645 751 2HG LYS 102 1HG LYS 102 1.402 -13.334 -1.594 752 1HD LYS 102 2HD LYS 102 3.630 -14.609 -2.344 753 2HD LYS 102 1HD LYS 102 4.384 -13.245 -1.518 754 1HE LYS 102 2HE LYS 102 2.205 -14.945 -0.279 755 2HE LYS 102 1HE LYS 102 3.927 -15.238 -0.032 756 1HZ LYS 102 1HZ LYS 102 4.034 -13.591 1.429 757 2HZ LYS 102 2HZ LYS 102 2.338 -13.513 1.389 758 3HZ LYS 102 3HZ LYS 102 3.261 -12.503 0.383 759 H LEU 103 H LEU 103 0.749 -11.442 -5.961 760 HA LEU 103 HA LEU 103 2.322 -12.417 -8.110 761 1HB LEU 103 2HB LEU 103 -0.252 -11.008 -7.805 762 2HB LEU 103 1HB LEU 103 0.546 -10.732 -9.354 763 HG LEU 103 HG LEU 103 -1.001 -12.745 -9.285 764 1HD1 LEU 103 1HD1 LEU 103 0.330 -13.871 -10.805 765 2HD1 LEU 103 2HD1 LEU 103 1.774 -13.731 -9.802 766 3HD1 LEU 103 3HD1 LEU 103 1.205 -12.341 -10.725 767 1HD2 LEU 103 1HD2 LEU 103 -0.665 -14.437 -7.805 768 2HD2 LEU 103 2HD2 LEU 103 0.284 -13.257 -6.901 769 3HD2 LEU 103 3HD2 LEU 103 1.086 -14.377 -8.001 770 H PHE 104 H PHE 104 2.005 -9.180 -6.759 771 HA PHE 104 HA PHE 104 3.349 -7.834 -8.944 772 1HB PHE 104 2HB PHE 104 1.853 -6.679 -7.319 773 2HB PHE 104 1HB PHE 104 3.047 -6.967 -6.054 774 HD1 PHE 104 HD1 PHE 104 5.438 -6.081 -6.440 775 HD2 PHE 104 HD2 PHE 104 2.035 -4.804 -8.732 776 HE1 PHE 104 HE1 PHE 104 6.674 -4.046 -7.140 777 HE2 PHE 104 HE2 PHE 104 3.270 -2.770 -9.433 778 HZ PHE 104 HZ PHE 104 5.588 -2.390 -8.635 779 H THR 105 H THR 105 4.394 -9.215 -5.844 780 HA THR 105 HA THR 105 7.114 -8.260 -6.045 781 HB THR 105 HB THR 105 6.162 -10.700 -4.528 782 HG1 THR 105 HG1 THR 105 5.589 -8.040 -4.208 783 1HG2 THR 105 1HG2 THR 105 7.990 -9.900 -2.963 784 2HG2 THR 105 2HG2 THR 105 8.461 -8.759 -4.222 785 3HG2 THR 105 3HG2 THR 105 8.551 -10.494 -4.526 786 H GLU 106 H GLU 106 5.395 -11.001 -7.359 787 HA GLU 106 HA GLU 106 7.891 -12.399 -8.075 788 1HB GLU 106 2HB GLU 106 4.976 -12.993 -8.662 789 2HB GLU 106 1HB GLU 106 6.316 -14.017 -9.180 790 1HG GLU 106 2HG GLU 106 6.843 -14.665 -7.004 791 2HG GLU 106 1HG GLU 106 6.100 -13.232 -6.291 792 H GLY 107 H GLY 107 6.289 -9.776 -9.289 793 1HA GLY 107 2HA GLY 107 6.367 -8.686 -11.364 794 2HA GLY 107 1HA GLY 107 7.756 -9.712 -11.727 795 H ASN 108 H ASN 108 4.697 -11.173 -10.913 796 HA ASN 108 HA ASN 108 4.601 -12.377 -13.606 797 1HB ASN 108 2HB ASN 108 3.741 -13.131 -10.964 798 2HB ASN 108 1HB ASN 108 2.360 -13.180 -12.061 799 1HD2 ASN 108 1HD2 ASN 108 4.071 -15.433 -10.853 800 2HD2 ASN 108 2HD2 ASN 108 4.548 -16.353 -12.196 801 H LEU 109 H LEU 109 2.334 -10.592 -11.474 802 HA LEU 109 HA LEU 109 0.562 -10.076 -13.766 803 1HB LEU 109 2HB LEU 109 -0.150 -10.484 -11.297 804 2HB LEU 109 1HB LEU 109 0.304 -8.799 -11.045 805 HG LEU 109 HG LEU 109 -1.190 -8.255 -13.057 806 1HD1 LEU 109 1HD1 LEU 109 -2.885 -9.889 -13.641 807 2HD1 LEU 109 2HD1 LEU 109 -2.294 -11.004 -12.409 808 3HD1 LEU 109 3HD1 LEU 109 -1.304 -10.648 -13.825 809 1HD2 LEU 109 1HD2 LEU 109 -3.277 -8.432 -11.644 810 2HD2 LEU 109 2HD2 LEU 109 -1.907 -7.699 -10.811 811 3HD2 LEU 109 3HD2 LEU 109 -2.342 -9.376 -10.484 812 H GLU 110 H GLU 110 0.657 -8.246 -15.002 813 HA GLU 110 HA GLU 110 1.610 -5.713 -13.942 814 1HB GLU 110 2HB GLU 110 3.471 -7.518 -15.339 815 2HB GLU 110 1HB GLU 110 3.409 -5.890 -16.016 816 1HG GLU 110 2HG GLU 110 4.574 -5.065 -14.278 817 2HG GLU 110 1HG GLU 110 3.425 -5.754 -13.131 818 H GLU 111 H GLU 111 2.269 -4.431 -16.304 819 HA GLU 111 HA GLU 111 0.546 -5.047 -18.507 820 1HB GLU 111 2HB GLU 111 -1.186 -4.451 -16.813 821 2HB GLU 111 1HB GLU 111 -0.466 -2.848 -16.703 822 1HG GLU 111 2HG GLU 111 -0.783 -2.671 -19.228 823 2HG GLU 111 1HG GLU 111 -1.782 -4.121 -19.107 824 H ILE 112 H ILE 112 0.323 -1.767 -17.976 825 HA ILE 112 HA ILE 112 2.440 -1.255 -19.933 826 HB ILE 112 HB ILE 112 0.498 0.568 -18.487 827 1HG1 ILE 112 2HG1 ILE 112 0.484 0.397 -21.419 828 2HG1 ILE 112 1HG1 ILE 112 0.133 -1.143 -20.633 829 1HG2 ILE 112 1HG2 ILE 112 2.571 1.210 -20.606 830 2HG2 ILE 112 2HG2 ILE 112 2.560 1.803 -18.945 831 3HG2 ILE 112 3HG2 ILE 112 1.304 2.315 -20.073 832 1HD1 ILE 112 1HD1 ILE 112 -1.708 -0.219 -19.426 833 2HD1 ILE 112 2HD1 ILE 112 -1.882 0.368 -21.081 834 3HD1 ILE 112 3HD1 ILE 112 -1.237 1.431 -19.830 835 H ARG 113 H ARG 113 4.412 -0.265 -19.497 836 HA ARG 113 HA ARG 113 4.926 0.624 -16.704 837 1HB ARG 113 2HB ARG 113 6.994 -0.659 -16.588 838 2HB ARG 113 1HB ARG 113 5.655 -1.759 -16.922 839 1HG ARG 113 2HG ARG 113 6.928 -2.488 -18.653 840 2HG ARG 113 1HG ARG 113 6.429 -0.999 -19.456 841 1HD ARG 113 2HD ARG 113 8.814 -1.035 -19.589 842 2HD ARG 113 1HD ARG 113 8.424 0.122 -18.317 843 HE ARG 113 HE ARG 113 9.677 -1.272 -16.906 844 1HH1 ARG 113 2HH1 ARG 113 8.505 -3.044 -19.601 845 2HH1 ARG 113 1HH1 ARG 113 8.876 -4.594 -18.922 846 1HH2 ARG 113 1HH2 ARG 113 9.975 -3.300 -15.898 847 2HH2 ARG 113 2HH2 ARG 113 9.708 -4.739 -16.825 848 H SER 114 H SER 114 6.845 2.007 -16.550 849 HA SER 114 HA SER 114 7.969 2.962 -19.119 850 1HB SER 114 2HB SER 114 7.178 5.147 -17.300 851 2HB SER 114 1HB SER 114 7.066 5.050 -19.055 852 HG SER 114 HG SER 114 5.010 4.820 -18.577 853 HA PRO 115 HA PRO 115 11.563 3.381 -16.633 854 1HB PRO 115 2HB PRO 115 12.923 5.239 -18.134 855 2HB PRO 115 1HB PRO 115 12.744 3.541 -18.607 856 1HG PRO 115 2HG PRO 115 11.370 5.950 -19.705 857 2HG PRO 115 1HG PRO 115 11.716 4.400 -20.490 858 1HD PRO 115 2HD PRO 115 9.215 5.205 -19.430 859 2HD PRO 115 1HD PRO 115 9.661 3.557 -19.923 860 H GLY 116 H GLY 116 9.209 5.664 -16.649 861 1HA GLY 116 2HA GLY 116 8.882 7.247 -14.857 862 2HA GLY 116 1HA GLY 116 10.630 7.297 -14.619 863 H SER 117 H SER 117 10.964 7.542 -17.629 864 HA SER 117 HA SER 117 9.719 10.027 -18.422 865 1HB SER 117 2HB SER 117 11.120 11.176 -16.916 866 2HB SER 117 1HB SER 117 12.473 10.086 -17.200 867 HG SER 117 HG SER 117 12.057 12.374 -18.347 868 H GLY 118 H GLY 118 9.526 9.514 -20.552 869 1HA GLY 118 2HA GLY 118 11.185 9.619 -22.592 870 2HA GLY 118 1HA GLY 118 11.782 8.112 -21.894 871 H ARG 119 H ARG 119 10.057 9.001 -24.398 872 HA ARG 119 HA ARG 119 8.648 6.506 -24.636 873 1HB ARG 119 2HB ARG 119 7.266 8.456 -23.160 874 2HB ARG 119 1HB ARG 119 6.542 8.499 -24.767 875 1HG ARG 119 2HG ARG 119 6.269 6.024 -24.678 876 2HG ARG 119 1HG ARG 119 6.901 6.039 -23.032 877 1HD ARG 119 2HD ARG 119 4.563 6.087 -22.721 878 2HD ARG 119 1HD ARG 119 5.037 7.777 -22.555 879 HE ARG 119 HE ARG 119 3.674 8.199 -24.418 880 1HH1 ARG 119 1HH2 ARG 119 3.172 5.028 -24.042 881 2HH1 ARG 119 2HH2 ARG 119 3.154 4.590 -25.719 882 1HH2 ARG 119 2HH1 ARG 119 4.417 7.632 -26.800 883 2HH2 ARG 119 1HH1 ARG 119 3.860 6.064 -27.280 884 H GLY 120 H GLY 120 8.293 9.922 -25.676 885 1HA GLY 120 2HA GLY 120 8.461 8.921 -28.492 886 2HA GLY 120 1HA GLY 120 7.463 10.298 -28.023 887 H ARG 121 H ARG 121 10.794 9.193 -28.424 888 HA ARG 121 HA ARG 121 12.029 11.703 -27.733 889 1HB ARG 121 2HB ARG 121 13.134 9.378 -27.962 890 2HB ARG 121 1HB ARG 121 13.177 9.713 -29.693 891 1HG ARG 121 2HG ARG 121 14.361 11.873 -29.173 892 2HG ARG 121 1HG ARG 121 14.458 11.354 -27.490 893 1HD ARG 121 2HD ARG 121 16.232 10.044 -27.941 894 2HD ARG 121 1HD ARG 121 15.353 9.230 -29.235 895 HE ARG 121 HE ARG 121 16.615 11.876 -29.775 896 1HH1 ARG 121 1HH2 ARG 121 18.543 9.556 -29.746 897 2HH1 ARG 121 2HH2 ARG 121 18.530 9.067 -31.408 898 1HH2 ARG 121 2HH1 ARG 121 15.618 10.789 -32.168 899 2HH2 ARG 121 1HH1 ARG 121 16.874 9.764 -32.779 900 H ARG 122 H ARG 122 12.947 13.268 -29.237 901 HA ARG 122 HA ARG 122 12.973 14.555 -31.212 902 1HB ARG 122 2HB ARG 122 13.091 12.184 -32.278 903 2HB ARG 122 1HB ARG 122 11.368 12.406 -32.588 904 1HG ARG 122 2HG ARG 122 11.869 13.643 -34.396 905 2HG ARG 122 1HG ARG 122 12.674 14.814 -33.352 906 1HD ARG 122 2HD ARG 122 14.771 13.613 -33.515 907 2HD ARG 122 1HD ARG 122 13.996 12.292 -34.389 908 HE ARG 122 HE ARG 122 14.953 14.728 -35.572 909 1HH1 ARG 122 2HH1 ARG 122 12.964 11.988 -35.919 910 2HH1 ARG 122 1HH1 ARG 122 12.279 12.485 -37.430 911 1HH2 ARG 122 1HH2 ARG 122 13.811 15.595 -37.403 912 2HH2 ARG 122 2HH2 ARG 122 12.760 14.526 -38.271 913 H ARG 123 H ARG 123 11.511 15.999 -30.081 914 HA ARG 123 HA ARG 123 8.842 16.087 -31.353 915 1HB ARG 123 2HB ARG 123 8.911 14.848 -28.992 916 2HB ARG 123 1HB ARG 123 8.901 16.507 -28.393 917 1HG ARG 123 2HG ARG 123 6.863 16.995 -29.626 918 2HG ARG 123 1HG ARG 123 6.903 15.405 -30.389 919 1HD ARG 123 2HD ARG 123 6.225 14.312 -28.470 920 2HD ARG 123 1HD ARG 123 6.945 15.517 -27.404 921 HE ARG 123 HE ARG 123 4.999 16.933 -27.770 922 1HH1 ARG 123 1HH2 ARG 123 4.326 13.747 -27.650 923 2HH1 ARG 123 2HH2 ARG 123 2.878 13.787 -28.600 924 1HH2 ARG 123 2HH1 ARG 123 3.377 17.037 -29.703 925 2HH2 ARG 123 1HH1 ARG 123 2.342 15.649 -29.763 926 H ARG 124 HN ARG 124 7.946 18.219 -31.338 927 HA ARG 124 HA ARG 124 9.961 20.325 -30.752 928 1HB ARG 124 2HB ARG 124 8.404 21.771 -32.117 929 2HB ARG 124 1HB ARG 124 9.085 20.406 -33.002 930 1HG ARG 124 2HG ARG 124 6.660 19.586 -31.670 931 2HG ARG 124 1HG ARG 124 6.347 21.021 -32.650 932 1HD ARG 124 2HD ARG 124 7.446 19.905 -34.584 933 2HD ARG 124 1HD ARG 124 7.655 18.455 -33.603 934 HE ARG 124 HE ARG 124 4.885 19.362 -33.716 935 1HH1 ARG 124 1HH2 ARG 124 6.244 16.533 -33.692 936 2HH1 ARG 124 2HH2 ARG 124 5.676 15.929 -35.212 937 1HH2 ARG 124 1HH1 ARG 124 4.637 19.033 -36.359 938 2HH2 ARG 124 2HH1 ARG 124 4.765 17.344 -36.721 Start of MODEL 16 1 1H MET 1 1H MET 1 9.114 0.496 -4.590 2 2H MET 1 2H MET 1 8.219 1.141 -3.298 3 3H MET 1 3H MET 1 9.098 2.170 -4.324 4 HA MET 1 HA MET 1 7.272 2.444 -5.524 5 1HB MET 1 2HB MET 1 8.219 -0.285 -6.118 6 2HB MET 1 1HB MET 1 6.536 0.010 -6.559 7 1HG MET 1 2HG MET 1 7.503 0.827 -8.471 8 2HG MET 1 1HG MET 1 7.631 2.289 -7.492 9 1HE MET 1 1HE MET 1 10.962 2.330 -9.432 10 2HE MET 1 2HE MET 1 9.492 3.195 -8.992 11 3HE MET 1 3HE MET 1 9.390 1.761 -10.010 12 H LYS 2 H LYS 2 5.406 2.939 -4.472 13 HA LYS 2 HA LYS 2 4.188 1.073 -2.575 14 1HB LYS 2 2HB LYS 2 3.843 3.894 -3.362 15 2HB LYS 2 1HB LYS 2 2.337 3.071 -2.954 16 1HG LYS 2 2HG LYS 2 2.859 2.994 -0.756 17 2HG LYS 2 1HG LYS 2 4.498 2.433 -1.090 18 1HD LYS 2 2HD LYS 2 3.656 5.307 -1.508 19 2HD LYS 2 1HD LYS 2 4.308 4.726 0.025 20 1HE LYS 2 2HE LYS 2 6.414 4.281 -0.886 21 2HE LYS 2 1HE LYS 2 5.786 4.158 -2.530 22 1HZ LYS 2 1HZ LYS 2 6.275 6.281 -2.822 23 2HZ LYS 2 2HZ LYS 2 6.830 6.412 -1.222 24 3HZ LYS 2 3HZ LYS 2 5.199 6.713 -1.585 25 H ILE 3 H ILE 3 2.346 -0.171 -2.938 26 HA ILE 3 HA ILE 3 1.297 -0.123 -5.738 27 HB ILE 3 HB ILE 3 1.583 -2.416 -3.780 28 1HG1 ILE 3 2HG1 ILE 3 2.590 -2.693 -6.517 29 2HG1 ILE 3 1HG1 ILE 3 3.345 -1.355 -5.650 30 1HG2 ILE 3 1HG2 ILE 3 0.349 -2.455 -6.549 31 2HG2 ILE 3 2HG2 ILE 3 -0.585 -2.469 -5.054 32 3HG2 ILE 3 3HG2 ILE 3 0.491 -3.814 -5.436 33 1HD1 ILE 3 1HD1 ILE 3 3.699 -2.984 -3.716 34 2HD1 ILE 3 2HD1 ILE 3 4.671 -3.281 -5.158 35 3HD1 ILE 3 3HD1 ILE 3 3.245 -4.266 -4.838 36 H ALA 4 H ALA 4 -0.669 0.817 -5.776 37 HA ALA 4 HA ALA 4 -2.484 0.417 -3.438 38 1HB ALA 4 1HB ALA 4 -3.697 2.407 -4.332 39 2HB ALA 4 2HB ALA 4 -2.492 2.533 -5.613 40 3HB ALA 4 3HB ALA 4 -2.019 2.769 -3.931 41 H ILE 5 H ILE 5 -4.058 -1.075 -3.785 42 HA ILE 5 HA ILE 5 -4.758 -1.768 -6.588 43 HB ILE 5 HB ILE 5 -5.583 -3.166 -4.029 44 1HG1 ILE 5 2HG1 ILE 5 -3.699 -4.743 -5.303 45 2HG1 ILE 5 1HG1 ILE 5 -3.046 -3.117 -5.508 46 1HG2 ILE 5 1HG2 ILE 5 -5.570 -5.053 -5.950 47 2HG2 ILE 5 2HG2 ILE 5 -5.930 -3.644 -6.948 48 3HG2 ILE 5 3HG2 ILE 5 -6.992 -4.068 -5.605 49 1HD1 ILE 5 1HD1 ILE 5 -2.712 -2.818 -3.257 50 2HD1 ILE 5 2HD1 ILE 5 -2.612 -4.578 -3.284 51 3HD1 ILE 5 3HD1 ILE 5 -4.118 -3.787 -2.815 52 H ALA 6 H ALA 6 -6.782 -1.377 -7.421 53 HA ALA 6 HA ALA 6 -8.592 0.301 -5.798 54 1HB ALA 6 1HB ALA 6 -8.193 1.065 -8.057 55 2HB ALA 6 2HB ALA 6 -9.855 0.484 -7.980 56 3HB ALA 6 3HB ALA 6 -8.603 -0.517 -8.716 57 H SER 7 H SER 7 -10.252 -0.626 -4.690 58 HA SER 7 HA SER 7 -11.562 -3.028 -5.854 59 1HB SER 7 2HB SER 7 -11.339 -3.266 -2.969 60 2HB SER 7 1HB SER 7 -10.898 -4.427 -4.218 61 HG SER 7 HG SER 7 -9.373 -2.396 -3.013 62 H SER 8 H SER 8 -13.618 -3.526 -4.527 63 HA SER 8 HA SER 8 -14.853 -0.934 -3.686 64 1HB SER 8 2HB SER 8 -16.920 -1.663 -4.616 65 2HB SER 8 1HB SER 8 -15.705 -2.076 -5.823 66 HG SER 8 HG SER 8 -15.867 -4.167 -5.285 67 H GLY 9 H GLY 9 -13.413 -3.057 -2.081 68 1HA GLY 9 2HA GLY 9 -15.349 -3.169 0.099 69 2HA GLY 9 1HA GLY 9 -14.999 -4.754 -0.593 70 H THR 10 H THR 10 -13.857 -5.565 1.195 71 HA THR 10 HA THR 10 -11.118 -4.478 1.496 72 HB THR 10 HB THR 10 -12.397 -5.200 4.062 73 HG1 THR 10 HG1 THR 10 -13.341 -3.065 4.151 74 1HG2 THR 10 1HG2 THR 10 -10.058 -4.056 3.315 75 2HG2 THR 10 2HG2 THR 10 -10.801 -3.793 4.894 76 3HG2 THR 10 3HG2 THR 10 -11.027 -2.611 3.605 77 H ASP 11 H ASP 11 -12.577 -6.968 0.477 78 HA ASP 11 HA ASP 11 -10.756 -8.889 1.804 79 1HB ASP 11 2HB ASP 11 -13.724 -8.926 1.987 80 2HB ASP 11 1HB ASP 11 -12.940 -10.472 1.657 81 H LEU 12 H LEU 12 -11.228 -11.159 0.589 82 HA LEU 12 HA LEU 12 -10.488 -10.738 -2.145 83 1HB LEU 12 2HB LEU 12 -9.986 -12.784 -0.727 84 2HB LEU 12 1HB LEU 12 -11.661 -13.273 -0.975 85 HG LEU 12 HG LEU 12 -10.204 -12.511 -3.433 86 1HD1 LEU 12 1HD1 LEU 12 -8.730 -13.995 -1.688 87 2HD1 LEU 12 2HD1 LEU 12 -8.611 -14.146 -3.442 88 3HD1 LEU 12 3HD1 LEU 12 -9.617 -15.269 -2.525 89 1HD2 LEU 12 1HD2 LEU 12 -12.257 -13.442 -3.925 90 2HD2 LEU 12 2HD2 LEU 12 -12.252 -14.467 -2.489 91 3HD2 LEU 12 3HD2 LEU 12 -11.296 -14.921 -3.901 92 H GLY 13 H GLY 13 -13.535 -10.697 -0.599 93 1HA GLY 13 2HA GLY 13 -15.261 -11.743 -2.582 94 2HA GLY 13 1HA GLY 13 -15.703 -10.451 -1.465 95 H SER 14 H SER 14 -14.161 -8.358 -2.183 96 HA SER 14 HA SER 14 -15.381 -7.409 -4.592 97 1HB SER 14 2HB SER 14 -12.886 -6.073 -3.751 98 2HB SER 14 1HB SER 14 -14.494 -5.398 -4.001 99 HG SER 14 HG SER 14 -15.037 -6.553 -1.986 100 H GLU 15 H GLU 15 -14.817 -9.003 -6.179 101 HA GLU 15 HA GLU 15 -12.053 -9.590 -6.833 102 1HB GLU 15 2HB GLU 15 -13.104 -10.545 -8.949 103 2HB GLU 15 1HB GLU 15 -13.693 -11.233 -7.436 104 1HG GLU 15 2HG GLU 15 -15.789 -10.551 -7.885 105 2HG GLU 15 1HG GLU 15 -15.237 -8.890 -8.105 106 H VAL 16 H VAL 16 -11.255 -7.348 -7.002 107 HA VAL 16 HA VAL 16 -10.652 -5.442 -8.230 108 HB VAL 16 HB VAL 16 -11.490 -7.209 -10.549 109 1HG1 VAL 16 1HG1 VAL 16 -11.039 -5.352 -11.757 110 2HG1 VAL 16 2HG1 VAL 16 -9.353 -5.582 -11.293 111 3HG1 VAL 16 3HG1 VAL 16 -10.390 -4.511 -10.350 112 1HG2 VAL 16 1HG2 VAL 16 -9.333 -8.127 -10.523 113 2HG2 VAL 16 2HG2 VAL 16 -9.701 -8.004 -8.802 114 3HG2 VAL 16 3HG2 VAL 16 -8.673 -6.796 -9.573 115 H SER 17 H SER 17 -13.464 -5.725 -7.310 116 HA SER 17 HA SER 17 -15.574 -4.741 -7.685 117 1HB SER 17 2HB SER 17 -15.449 -2.422 -8.148 118 2HB SER 17 1HB SER 17 -13.891 -2.795 -7.416 119 HG SER 17 HG SER 17 -13.072 -2.056 -9.197 120 H ARG 18 H ARG 18 -16.435 -3.109 -9.851 121 HA ARG 18 HA ARG 18 -16.601 -5.188 -11.970 122 1HB ARG 18 2HB ARG 18 -18.291 -2.811 -11.217 123 2HB ARG 18 1HB ARG 18 -18.435 -3.542 -12.816 124 1HG ARG 18 2HG ARG 18 -19.442 -5.420 -12.008 125 2HG ARG 18 1HG ARG 18 -18.433 -5.457 -10.561 126 1HD ARG 18 2HD ARG 18 -19.763 -3.462 -9.720 127 2HD ARG 18 1HD ARG 18 -20.873 -3.736 -11.062 128 HE ARG 18 HE ARG 18 -20.970 -5.160 -8.637 129 1HH1 ARG 18 1HH2 ARG 18 -19.517 -7.213 -10.323 130 2HH1 ARG 18 2HH2 ARG 18 -20.839 -8.113 -10.988 131 1HH2 ARG 18 2HH1 ARG 18 -23.211 -5.703 -10.216 132 2HH2 ARG 18 1HH1 ARG 18 -22.930 -7.258 -10.928 133 H PHE 19 H PHE 19 -15.996 -1.685 -11.602 134 HA PHE 19 HA PHE 19 -14.148 -1.820 -13.902 135 1HB PHE 19 2HB PHE 19 -15.412 0.426 -14.657 136 2HB PHE 19 1HB PHE 19 -15.878 -1.160 -15.269 137 HD1 PHE 19 HD1 PHE 19 -17.991 -2.125 -14.734 138 HD2 PHE 19 HD2 PHE 19 -16.658 1.415 -12.695 139 HE1 PHE 19 HE1 PHE 19 -20.249 -1.845 -13.742 140 HE2 PHE 19 HE2 PHE 19 -18.915 1.694 -11.703 141 HZ PHE 19 HZ PHE 19 -20.711 0.063 -12.228 142 H PHE 20 H PHE 20 -12.365 -0.716 -13.286 143 HA PHE 20 HA PHE 20 -12.174 0.796 -10.897 144 1HB PHE 20 2HB PHE 20 -10.203 -0.143 -12.025 145 2HB PHE 20 1HB PHE 20 -10.451 0.944 -13.391 146 HD1 PHE 20 HD1 PHE 20 -11.152 2.050 -9.958 147 HD2 PHE 20 HD2 PHE 20 -8.237 1.988 -13.117 148 HE1 PHE 20 HE1 PHE 20 -9.852 3.813 -8.794 149 HE2 PHE 20 HE2 PHE 20 -6.937 3.751 -11.951 150 HZ PHE 20 HZ PHE 20 -7.746 4.665 -9.791 151 H GLY 21 H GLY 21 -12.915 2.811 -10.439 152 1HA GLY 21 2HA GLY 21 -12.738 5.014 -12.288 153 2HA GLY 21 1HA GLY 21 -14.398 4.423 -12.195 154 H ARG 22 H ARG 22 -14.686 3.770 -9.554 155 HA ARG 22 HA ARG 22 -13.801 6.122 -7.974 156 1HB ARG 22 2HB ARG 22 -16.070 6.628 -7.241 157 2HB ARG 22 1HB ARG 22 -16.007 6.700 -9.003 158 1HG ARG 22 2HG ARG 22 -17.579 5.100 -9.153 159 2HG ARG 22 1HG ARG 22 -16.584 4.002 -8.197 160 1HD ARG 22 2HD ARG 22 -18.076 4.198 -6.524 161 2HD ARG 22 1HD ARG 22 -17.611 5.893 -6.372 162 HE ARG 22 HE ARG 22 -19.405 6.180 -8.296 163 1HH1 ARG 22 1HH2 ARG 22 -19.798 3.178 -7.047 164 2HH1 ARG 22 2HH2 ARG 22 -21.358 3.439 -6.343 165 1HH2 ARG 22 2HH1 ARG 22 -21.277 6.877 -6.789 166 2HH2 ARG 22 1HH1 ARG 22 -22.196 5.534 -6.198 167 H ALA 23 H ALA 23 -12.875 3.511 -7.709 168 HA ALA 23 HA ALA 23 -14.265 1.801 -5.960 169 1HB ALA 23 1HB ALA 23 -11.316 2.376 -6.280 170 2HB ALA 23 2HB ALA 23 -12.232 1.004 -6.906 171 3HB ALA 23 3HB ALA 23 -11.916 1.137 -5.176 172 HA PRO 24 HA PRO 24 -14.281 4.618 -2.445 173 1HB PRO 24 2HB PRO 24 -16.250 3.258 -1.098 174 2HB PRO 24 1HB PRO 24 -16.576 4.417 -2.398 175 1HG PRO 24 2HG PRO 24 -16.742 1.445 -2.454 176 2HG PRO 24 1HG PRO 24 -17.584 2.634 -3.460 177 1HD PRO 24 2HD PRO 24 -15.314 1.098 -4.216 178 2HD PRO 24 1HD PRO 24 -16.004 2.471 -5.108 179 H TYR 25 H TYR 25 -12.635 1.953 -2.769 180 HA TYR 25 HA TYR 25 -11.897 1.788 0.067 181 1HB TYR 25 2HB TYR 25 -13.295 -0.412 -1.408 182 2HB TYR 25 1HB TYR 25 -12.010 -0.849 -0.282 183 HD1 TYR 25 HD1 TYR 25 -12.170 0.870 1.943 184 HD2 TYR 25 HD2 TYR 25 -15.407 -0.632 -0.452 185 HE1 TYR 25 HE1 TYR 25 -13.727 1.187 3.849 186 HE2 TYR 25 HE2 TYR 25 -16.964 -0.315 1.454 187 HH TYR 25 HH TYR 25 -16.010 1.386 4.344 188 H PHE 26 H PHE 26 -10.113 2.833 -1.317 189 HA PHE 26 HA PHE 26 -8.572 1.050 -3.040 190 1HB PHE 26 2HB PHE 26 -8.591 3.865 -2.359 191 2HB PHE 26 1HB PHE 26 -6.952 3.222 -2.266 192 HD1 PHE 26 HD1 PHE 26 -9.772 4.004 -4.461 193 HD2 PHE 26 HD2 PHE 26 -5.907 2.138 -4.240 194 HE1 PHE 26 HE1 PHE 26 -9.627 4.012 -6.938 195 HE2 PHE 26 HE2 PHE 26 -5.762 2.146 -6.717 196 HZ PHE 26 HZ PHE 26 -7.622 3.082 -8.066 197 H MET 27 H MET 27 -7.091 -0.402 -2.332 198 HA MET 27 HA MET 27 -6.311 -0.373 0.518 199 1HB MET 27 2HB MET 27 -5.770 -2.363 -1.710 200 2HB MET 27 1HB MET 27 -5.269 -2.579 -0.032 201 1HG MET 27 2HG MET 27 -7.686 -2.326 0.640 202 2HG MET 27 1HG MET 27 -8.104 -2.349 -1.073 203 1HE MET 27 1HE MET 27 -8.891 -4.441 1.496 204 2HE MET 27 2HE MET 27 -7.248 -4.113 2.042 205 3HE MET 27 3HE MET 27 -7.730 -5.765 1.667 206 H ILE 28 H ILE 28 -4.599 0.929 0.990 207 HA ILE 28 HA ILE 28 -2.471 1.331 -1.033 208 HB ILE 28 HB ILE 28 -2.819 2.586 1.708 209 1HG1 ILE 28 2HG1 ILE 28 -4.688 3.223 0.320 210 2HG1 ILE 28 1HG1 ILE 28 -3.556 4.576 0.322 211 1HG2 ILE 28 1HG2 ILE 28 -1.051 4.005 1.163 212 2HG2 ILE 28 2HG2 ILE 28 -1.237 3.738 -0.570 213 3HG2 ILE 28 3HG2 ILE 28 -0.511 2.489 0.442 214 1HD1 ILE 28 1HD1 ILE 28 -2.624 3.807 -1.827 215 2HD1 ILE 28 2HD1 ILE 28 -4.359 4.097 -1.964 216 3HD1 ILE 28 3HD1 ILE 28 -3.748 2.448 -1.831 217 H VAL 29 H VAL 29 -0.999 -0.323 -1.024 218 HA VAL 29 HA VAL 29 -0.025 -1.267 1.644 219 HB VAL 29 HB VAL 29 0.099 -2.755 -0.995 220 1HG1 VAL 29 1HG1 VAL 29 1.239 -3.153 1.648 221 2HG1 VAL 29 2HG1 VAL 29 1.537 -4.053 0.159 222 3HG1 VAL 29 3HG1 VAL 29 0.186 -4.497 1.203 223 1HG2 VAL 29 1HG2 VAL 29 -1.649 -3.911 0.996 224 2HG2 VAL 29 2HG2 VAL 29 -2.026 -3.432 -0.659 225 3HG2 VAL 29 3HG2 VAL 29 -2.149 -2.255 0.649 226 H GLU 30 H GLU 30 1.950 -0.429 2.087 227 HA GLU 30 HA GLU 30 3.739 0.265 -0.194 228 1HB GLU 30 2HB GLU 30 3.396 2.149 1.233 229 2HB GLU 30 1HB GLU 30 3.626 1.178 2.687 230 1HG GLU 30 2HG GLU 30 5.851 1.311 0.684 231 2HG GLU 30 1HG GLU 30 5.595 2.686 1.758 232 H MET 31 H MET 31 5.212 -1.300 -0.647 233 HA MET 31 HA MET 31 6.317 -2.878 1.642 234 1HB MET 31 2HB MET 31 6.769 -4.664 -0.031 235 2HB MET 31 1HB MET 31 5.050 -4.288 0.089 236 1HG MET 31 2HG MET 31 5.085 -3.020 -1.931 237 2HG MET 31 1HG MET 31 6.847 -2.984 -1.962 238 1HE MET 31 1HE MET 31 3.902 -6.274 -2.665 239 2HE MET 31 2HE MET 31 4.020 -5.145 -1.317 240 3HE MET 31 3HE MET 31 4.879 -6.682 -1.248 241 H LYS 32 H LYS 32 8.620 -3.511 1.378 242 HA LYS 32 HA LYS 32 10.119 -1.402 -0.119 243 1HB LYS 32 2HB LYS 32 10.558 -2.793 2.487 244 2HB LYS 32 1HB LYS 32 11.984 -2.342 1.552 245 1HG LYS 32 2HG LYS 32 10.278 -0.107 1.431 246 2HG LYS 32 1HG LYS 32 10.222 -0.652 3.108 247 1HD LYS 32 2HD LYS 32 12.909 -0.869 2.479 248 2HD LYS 32 1HD LYS 32 12.422 0.600 1.631 249 1HE LYS 32 2HE LYS 32 12.761 1.589 3.657 250 2HE LYS 32 1HE LYS 32 11.157 0.951 4.021 251 1HZ LYS 32 1HZ LYS 32 12.884 -1.135 4.468 252 2HZ LYS 32 2HZ LYS 32 12.114 -0.186 5.648 253 3HZ LYS 32 3HZ LYS 32 13.677 0.216 5.118 254 H LYS 33 H LYS 33 11.688 -4.252 1.159 255 HA LYS 33 HA LYS 33 12.515 -4.971 -1.585 256 1HB LYS 33 2HB LYS 33 13.434 -5.655 1.184 257 2HB LYS 33 1HB LYS 33 13.804 -6.780 -0.124 258 1HG LYS 33 2HG LYS 33 14.775 -4.863 -1.420 259 2HG LYS 33 1HG LYS 33 14.537 -3.842 -0.001 260 1HD LYS 33 2HD LYS 33 16.711 -4.530 0.384 261 2HD LYS 33 1HD LYS 33 15.842 -5.827 1.205 262 1HE LYS 33 2HE LYS 33 15.973 -6.590 -1.508 263 2HE LYS 33 1HE LYS 33 17.579 -5.989 -1.099 264 1HZ LYS 33 1HZ LYS 33 16.043 -8.133 0.249 265 2HZ LYS 33 2HZ LYS 33 17.420 -7.416 0.940 266 3HZ LYS 33 3HZ LYS 33 17.545 -8.260 -0.529 267 H GLY 34 H GLY 34 9.996 -5.528 -1.730 268 1HA GLY 34 2HA GLY 34 8.442 -7.247 -2.100 269 2HA GLY 34 1HA GLY 34 9.800 -8.370 -1.995 270 H ASN 35 H ASN 35 8.808 -6.138 0.559 271 HA ASN 35 HA ASN 35 7.741 -8.435 2.125 272 1HB ASN 35 2HB ASN 35 10.131 -8.136 2.736 273 2HB ASN 35 1HB ASN 35 9.798 -6.455 3.153 274 1HD2 ASN 35 1HD2 ASN 35 10.486 -7.061 5.411 275 2HD2 ASN 35 2HD2 ASN 35 9.375 -7.840 6.431 276 H ILE 36 H ILE 36 5.670 -7.386 1.705 277 HA ILE 36 HA ILE 36 4.939 -4.747 2.146 278 HB ILE 36 HB ILE 36 3.434 -7.263 2.919 279 1HG1 ILE 36 2HG1 ILE 36 3.296 -5.417 0.511 280 2HG1 ILE 36 1HG1 ILE 36 3.956 -7.052 0.525 281 1HG2 ILE 36 1HG2 ILE 36 2.034 -5.851 4.003 282 2HG2 ILE 36 2HG2 ILE 36 1.580 -5.269 2.402 283 3HG2 ILE 36 3HG2 ILE 36 2.821 -4.425 3.328 284 1HD1 ILE 36 1HD1 ILE 36 1.894 -7.837 0.087 285 2HD1 ILE 36 2HD1 ILE 36 1.209 -6.218 0.238 286 3HD1 ILE 36 3HD1 ILE 36 1.377 -7.241 1.664 287 H GLU 37 H GLU 37 5.576 -3.492 3.837 288 HA GLU 37 HA GLU 37 5.518 -4.705 6.571 289 1HB GLU 37 2HB GLU 37 7.641 -3.523 5.373 290 2HB GLU 37 1HB GLU 37 6.898 -2.112 6.128 291 1HG GLU 37 2HG GLU 37 6.794 -3.476 8.280 292 2HG GLU 37 1HG GLU 37 7.837 -4.650 7.478 293 H SER 38 H SER 38 3.525 -3.038 4.689 294 HA SER 38 HA SER 38 2.123 -1.818 6.912 295 1HB SER 38 2HB SER 38 2.618 0.395 6.655 296 2HB SER 38 1HB SER 38 4.104 -0.219 5.940 297 HG SER 38 HG SER 38 2.408 1.314 4.779 298 H SER 39 H SER 39 0.012 -2.085 6.390 299 HA SER 39 HA SER 39 -0.858 -1.619 3.592 300 1HB SER 39 2HB SER 39 -2.219 -3.761 3.721 301 2HB SER 39 1HB SER 39 -0.479 -3.989 3.562 302 HG SER 39 HG SER 39 -0.369 -4.664 5.594 303 H GLU 40 H GLU 40 -2.320 -0.003 3.980 304 HA GLU 40 HA GLU 40 -4.355 -0.496 6.117 305 1HB GLU 40 2HB GLU 40 -2.738 1.395 6.599 306 2HB GLU 40 1HB GLU 40 -3.393 2.220 5.185 307 1HG GLU 40 2HG GLU 40 -5.657 1.424 6.606 308 2HG GLU 40 1HG GLU 40 -4.531 1.956 7.856 309 H VAL 41 H VAL 41 -6.515 0.072 5.580 310 HA VAL 41 HA VAL 41 -6.974 0.385 2.650 311 HB VAL 41 HB VAL 41 -8.873 -0.530 4.833 312 1HG1 VAL 41 1HG1 VAL 41 -10.512 -0.427 3.289 313 2HG1 VAL 41 2HG1 VAL 41 -9.519 -1.273 2.101 314 3HG1 VAL 41 3HG1 VAL 41 -9.399 0.479 2.264 315 1HG2 VAL 41 1HG2 VAL 41 -6.733 -1.909 3.752 316 2HG2 VAL 41 2HG2 VAL 41 -8.073 -2.412 2.721 317 3HG2 VAL 41 3HG2 VAL 41 -8.163 -2.655 4.466 318 H ILE 42 H ILE 42 -8.095 2.157 1.878 319 HA ILE 42 HA ILE 42 -9.363 3.985 3.857 320 HB ILE 42 HB ILE 42 -7.190 4.963 3.564 321 1HG1 ILE 42 2HG1 ILE 42 -8.524 6.584 1.486 322 2HG1 ILE 42 1HG1 ILE 42 -9.511 6.277 2.915 323 1HG2 ILE 42 1HG2 ILE 42 -7.329 3.688 1.037 324 2HG2 ILE 42 2HG2 ILE 42 -5.964 4.574 1.717 325 3HG2 ILE 42 3HG2 ILE 42 -7.151 5.413 0.717 326 1HD1 ILE 42 1HD1 ILE 42 -8.150 7.508 4.286 327 2HD1 ILE 42 2HD1 ILE 42 -7.726 8.306 2.771 328 3HD1 ILE 42 3HD1 ILE 42 -6.685 7.040 3.421 329 H GLU 43 H GLU 43 -11.257 4.868 3.085 330 HA GLU 43 HA GLU 43 -12.062 4.077 0.337 331 1HB GLU 43 2HB GLU 43 -14.345 4.860 1.153 332 2HB GLU 43 1HB GLU 43 -13.675 3.469 2.006 333 1HG GLU 43 2HG GLU 43 -12.834 6.021 3.171 334 2HG GLU 43 1HG GLU 43 -14.583 5.799 3.201 335 H ASN 44 H ASN 44 -11.876 5.577 -1.252 336 HA ASN 44 HA ASN 44 -11.103 8.281 -0.792 337 1HB ASN 44 2HB ASN 44 -11.314 6.656 -3.008 338 2HB ASN 44 1HB ASN 44 -12.607 7.824 -3.279 339 1HD2 ASN 44 1HD2 ASN 44 -9.317 8.132 -1.815 340 2HD2 ASN 44 2HD2 ASN 44 -8.839 9.422 -2.810 341 HA PRO 45 HA PRO 45 -14.962 10.147 0.198 342 1HB PRO 45 2HB PRO 45 -14.266 12.746 -0.365 343 2HB PRO 45 1HB PRO 45 -13.725 11.881 1.083 344 1HG PRO 45 2HG PRO 45 -12.184 12.575 -1.373 345 2HG PRO 45 1HG PRO 45 -11.601 12.300 0.276 346 1HD PRO 45 2HD PRO 45 -11.454 10.454 -1.868 347 2HD PRO 45 1HD PRO 45 -11.174 10.089 -0.152 348 H SER 46 H SER 46 -13.431 10.887 -2.918 349 HA SER 46 HA SER 46 -15.479 12.251 -4.238 350 1HB SER 46 2HB SER 46 -13.496 10.195 -5.203 351 2HB SER 46 1HB SER 46 -14.662 10.917 -6.308 352 HG SER 46 HG SER 46 -12.744 12.252 -4.694 353 H ALA 47 H ALA 47 -15.432 8.938 -3.173 354 HA ALA 47 HA ALA 47 -17.430 7.862 -4.903 355 1HB ALA 47 1HB ALA 47 -17.409 6.024 -3.510 356 2HB ALA 47 2HB ALA 47 -17.370 7.006 -2.045 357 3HB ALA 47 3HB ALA 47 -15.900 6.776 -2.992 358 H SER 48 H SER 48 -17.733 9.402 -1.689 359 HA SER 48 HA SER 48 -20.656 9.343 -1.847 360 1HB SER 48 2HB SER 48 -18.725 9.711 0.198 361 2HB SER 48 1HB SER 48 -19.671 11.195 0.128 362 HG SER 48 HG SER 48 -21.488 9.482 -0.057 363 H ALA 49 H ALA 49 -18.329 11.236 -3.301 364 HA ALA 49 HA ALA 49 -20.129 13.623 -3.332 365 1HB ALA 49 1HB ALA 49 -18.036 14.812 -4.184 366 2HB ALA 49 2HB ALA 49 -17.144 13.352 -3.755 367 3HB ALA 49 3HB ALA 49 -17.980 14.274 -2.505 368 H SER 50 H SER 50 -21.477 12.998 -5.052 369 HA SER 50 HA SER 50 -20.502 11.838 -7.501 370 1HB SER 50 2HB SER 50 -22.706 12.012 -8.270 371 2HB SER 50 1HB SER 50 -22.935 11.958 -6.524 372 HG SER 50 HG SER 50 -24.092 13.686 -7.285 373 H GLY 51 H GLY 51 -19.323 12.865 -9.038 374 1HA GLY 51 2HA GLY 51 -19.329 14.755 -10.684 375 2HA GLY 51 1HA GLY 51 -19.681 15.822 -9.324 376 H GLY 52 H GLY 52 -17.357 13.147 -9.351 377 1HA GLY 52 2HA GLY 52 -15.180 15.178 -9.035 378 2HA GLY 52 1HA GLY 52 -15.238 13.712 -8.056 379 H ALA 53 H ALA 53 -16.358 13.109 -11.184 380 HA ALA 53 HA ALA 53 -15.419 11.940 -12.988 381 1HB ALA 53 1HB ALA 53 -13.094 12.519 -13.597 382 2HB ALA 53 2HB ALA 53 -12.890 13.324 -12.042 383 3HB ALA 53 3HB ALA 53 -14.030 13.966 -13.224 384 H GLY 54 H GLY 54 -13.825 10.140 -13.453 385 1HA GLY 54 2HA GLY 54 -13.038 8.764 -10.913 386 2HA GLY 54 1HA GLY 54 -13.741 7.894 -12.278 387 H ILE 55 H ILE 55 -12.295 9.315 -14.335 388 HA ILE 55 HA ILE 55 -9.845 7.774 -14.307 389 HB ILE 55 HB ILE 55 -10.640 10.043 -16.157 390 1HG1 ILE 55 2HG1 ILE 55 -12.300 8.124 -15.954 391 2HG1 ILE 55 1HG1 ILE 55 -11.645 8.377 -17.572 392 1HG2 ILE 55 1HG2 ILE 55 -8.224 9.291 -16.145 393 2HG2 ILE 55 2HG2 ILE 55 -9.048 9.082 -17.691 394 3HG2 ILE 55 3HG2 ILE 55 -8.787 7.693 -16.636 395 1HD1 ILE 55 1HD1 ILE 55 -10.439 6.414 -15.611 396 2HD1 ILE 55 2HD1 ILE 55 -10.121 6.546 -17.341 397 3HD1 ILE 55 3HD1 ILE 55 -11.685 5.959 -16.774 398 H ARG 56 H ARG 56 -10.627 11.209 -13.836 399 HA ARG 56 HA ARG 56 -7.910 12.119 -13.675 400 1HB ARG 56 2HB ARG 56 -10.263 13.340 -12.217 401 2HB ARG 56 1HB ARG 56 -8.814 14.155 -12.808 402 1HG ARG 56 2HG ARG 56 -10.210 12.713 -14.930 403 2HG ARG 56 1HG ARG 56 -11.230 13.937 -14.173 404 1HD ARG 56 2HD ARG 56 -8.505 14.341 -15.429 405 2HD ARG 56 1HD ARG 56 -10.042 15.024 -15.962 406 HE ARG 56 HE ARG 56 -8.372 16.055 -13.813 407 1HH1 ARG 56 2HH1 ARG 56 -10.647 17.082 -15.859 408 2HH1 ARG 56 1HH1 ARG 56 -11.667 17.877 -14.706 409 1HH2 ARG 56 1HH2 ARG 56 -10.081 16.488 -11.953 410 2HH2 ARG 56 2HH2 ARG 56 -11.345 17.541 -12.494 411 H THR 57 H THR 57 -9.730 10.153 -11.596 412 HA THR 57 HA THR 57 -8.636 11.010 -9.062 413 HB THR 57 HB THR 57 -9.672 8.268 -9.839 414 HG1 THR 57 HG1 THR 57 -11.435 9.667 -8.475 415 1HG2 THR 57 1HG2 THR 57 -9.352 7.713 -7.684 416 2HG2 THR 57 2HG2 THR 57 -10.206 9.157 -7.142 417 3HG2 THR 57 3HG2 THR 57 -8.476 9.228 -7.474 418 H ALA 58 H ALA 58 -7.590 8.767 -11.575 419 HA ALA 58 HA ALA 58 -5.608 7.320 -10.224 420 1HB ALA 58 1HB ALA 58 -5.260 6.576 -12.321 421 2HB ALA 58 2HB ALA 58 -4.548 8.128 -12.762 422 3HB ALA 58 3HB ALA 58 -6.284 7.872 -12.938 423 H GLN 59 H GLN 59 -5.680 10.701 -11.036 424 HA GLN 59 HA GLN 59 -2.837 11.179 -10.828 425 1HB GLN 59 2HB GLN 59 -5.041 12.685 -11.573 426 2HB GLN 59 1HB GLN 59 -4.557 13.418 -10.044 427 1HG GLN 59 2HG GLN 59 -2.408 12.763 -12.014 428 2HG GLN 59 1HG GLN 59 -3.435 14.158 -12.350 429 1HE2 GLN 59 1HE2 GLN 59 -0.499 13.794 -11.270 430 2HE2 GLN 59 2HE2 GLN 59 -0.454 14.855 -9.947 431 H ILE 60 H ILE 60 -5.543 11.709 -8.538 432 HA ILE 60 HA ILE 60 -3.937 12.559 -6.355 433 HB ILE 60 HB ILE 60 -6.341 12.824 -6.258 434 1HG1 ILE 60 2HG1 ILE 60 -6.503 10.947 -4.147 435 2HG1 ILE 60 1HG1 ILE 60 -4.815 11.453 -4.220 436 1HG2 ILE 60 1HG2 ILE 60 -7.246 11.065 -7.512 437 2HG2 ILE 60 2HG2 ILE 60 -7.670 10.600 -5.864 438 3HG2 ILE 60 3HG2 ILE 60 -6.294 9.845 -6.667 439 1HD1 ILE 60 1HD1 ILE 60 -7.068 12.913 -3.208 440 2HD1 ILE 60 2HD1 ILE 60 -6.404 13.782 -4.591 441 3HD1 ILE 60 3HD1 ILE 60 -5.369 13.388 -3.218 442 H ILE 61 H ILE 61 -4.726 9.332 -7.545 443 HA ILE 61 HA ILE 61 -3.724 7.891 -5.262 444 HB ILE 61 HB ILE 61 -3.999 7.080 -8.173 445 1HG1 ILE 61 2HG1 ILE 61 -5.696 6.393 -5.754 446 2HG1 ILE 61 1HG1 ILE 61 -6.092 7.675 -6.900 447 1HG2 ILE 61 1HG2 ILE 61 -3.138 5.047 -7.672 448 2HG2 ILE 61 2HG2 ILE 61 -4.003 4.973 -6.138 449 3HG2 ILE 61 3HG2 ILE 61 -2.461 5.821 -6.240 450 1HD1 ILE 61 1HD1 ILE 61 -7.161 5.353 -7.297 451 2HD1 ILE 61 2HD1 ILE 61 -5.557 4.858 -7.835 452 3HD1 ILE 61 3HD1 ILE 61 -6.410 6.150 -8.677 453 H ALA 62 H ALA 62 -2.234 8.992 -8.296 454 HA ALA 62 HA ALA 62 0.348 7.798 -7.674 455 1HB ALA 62 1HB ALA 62 0.693 8.251 -9.852 456 2HB ALA 62 2HB ALA 62 0.586 9.980 -9.522 457 3HB ALA 62 3HB ALA 62 -0.870 9.065 -9.914 458 H ASN 63 H ASN 63 -1.291 10.692 -6.780 459 HA ASN 63 HA ASN 63 1.077 12.294 -6.259 460 1HB ASN 63 2HB ASN 63 -1.556 12.894 -6.473 461 2HB ASN 63 1HB ASN 63 -1.407 12.817 -4.716 462 1HD2 ASN 63 1HD2 ASN 63 -1.875 15.291 -5.133 463 2HD2 ASN 63 2HD2 ASN 63 -0.510 16.278 -5.338 464 H ASN 64 H ASN 64 -0.506 9.712 -4.636 465 HA ASN 64 HA ASN 64 0.533 10.441 -1.978 466 1HB ASN 64 2HB ASN 64 -1.580 8.863 -2.880 467 2HB ASN 64 1HB ASN 64 -0.398 7.690 -2.297 468 1HD2 ASN 64 1HD2 ASN 64 -2.605 7.747 -0.747 469 2HD2 ASN 64 2HD2 ASN 64 -2.359 8.624 0.686 470 H GLY 65 H GLY 65 2.124 9.549 -4.586 471 1HA GLY 65 2HA GLY 65 4.377 8.749 -4.651 472 2HA GLY 65 1HA GLY 65 4.154 8.067 -3.039 473 H VAL 66 H VAL 66 1.454 7.113 -4.538 474 HA VAL 66 HA VAL 66 2.125 4.379 -4.725 475 HB VAL 66 HB VAL 66 -0.019 5.922 -6.216 476 1HG1 VAL 66 1HG1 VAL 66 -1.118 3.770 -6.506 477 2HG1 VAL 66 2HG1 VAL 66 0.171 2.955 -5.619 478 3HG1 VAL 66 3HG1 VAL 66 0.505 3.678 -7.193 479 1HG2 VAL 66 1HG2 VAL 66 -1.469 5.248 -4.385 480 2HG2 VAL 66 2HG2 VAL 66 -0.052 6.047 -3.702 481 3HG2 VAL 66 3HG2 VAL 66 -0.177 4.289 -3.664 482 H LYS 67 H LYS 67 4.115 4.175 -5.886 483 HA LYS 67 HA LYS 67 4.290 5.118 -8.649 484 1HB LYS 67 2HB LYS 67 6.061 3.249 -7.042 485 2HB LYS 67 1HB LYS 67 6.436 3.837 -8.661 486 1HG LYS 67 2HG LYS 67 5.699 5.964 -6.765 487 2HG LYS 67 1HG LYS 67 7.176 5.099 -6.334 488 1HD LYS 67 2HD LYS 67 7.874 5.420 -8.791 489 2HD LYS 67 1HD LYS 67 6.571 6.605 -8.880 490 1HE LYS 67 2HE LYS 67 8.816 6.677 -6.843 491 2HE LYS 67 1HE LYS 67 8.775 7.640 -8.320 492 1HZ LYS 67 1HZ LYS 67 6.386 7.782 -6.696 493 2HZ LYS 67 2HZ LYS 67 7.246 9.020 -7.479 494 3HZ LYS 67 3HZ LYS 67 7.773 8.439 -5.972 495 H ALA 68 H ALA 68 2.523 2.721 -7.282 496 HA ALA 68 HA ALA 68 2.501 1.185 -9.827 497 1HB ALA 68 1HB ALA 68 2.827 -0.906 -8.829 498 2HB ALA 68 2HB ALA 68 2.394 -0.318 -7.225 499 3HB ALA 68 3HB ALA 68 3.957 0.101 -7.925 500 H VAL 69 H VAL 69 0.417 0.508 -10.372 501 HA VAL 69 HA VAL 69 -1.696 0.783 -8.290 502 HB VAL 69 HB VAL 69 -1.628 2.151 -10.988 503 1HG1 VAL 69 1HG1 VAL 69 -3.824 1.518 -11.096 504 2HG1 VAL 69 2HG1 VAL 69 -4.036 2.848 -9.957 505 3HG1 VAL 69 3HG1 VAL 69 -3.922 1.190 -9.366 506 1HG2 VAL 69 1HG2 VAL 69 -0.824 3.728 -9.530 507 2HG2 VAL 69 2HG2 VAL 69 -1.555 2.950 -8.126 508 3HG2 VAL 69 3HG2 VAL 69 -2.540 3.956 -9.188 509 H ILE 70 H ILE 70 -3.125 -0.888 -8.374 510 HA ILE 70 HA ILE 70 -3.035 -2.655 -10.783 511 HB ILE 70 HB ILE 70 -4.324 -3.594 -8.268 512 1HG1 ILE 70 2HG1 ILE 70 -2.329 -2.431 -7.399 513 2HG1 ILE 70 1HG1 ILE 70 -2.131 -4.181 -7.273 514 1HG2 ILE 70 1HG2 ILE 70 -2.930 -5.639 -8.963 515 2HG2 ILE 70 2HG2 ILE 70 -2.546 -4.735 -10.428 516 3HG2 ILE 70 3HG2 ILE 70 -4.221 -5.150 -10.061 517 1HD1 ILE 70 1HD1 ILE 70 -0.639 -2.238 -8.906 518 2HD1 ILE 70 2HD1 ILE 70 -1.141 -3.680 -9.788 519 3HD1 ILE 70 3HD1 ILE 70 -0.154 -3.834 -8.334 520 H ALA 71 H ALA 71 -4.746 -2.186 -12.107 521 HA ALA 71 HA ALA 71 -7.455 -2.187 -10.948 522 1HB ALA 71 1HB ALA 71 -6.301 0.243 -11.112 523 2HB ALA 71 2HB ALA 71 -8.027 -0.008 -11.382 524 3HB ALA 71 3HB ALA 71 -6.927 0.115 -12.756 525 H SER 72 H SER 72 -9.064 -1.763 -12.875 526 HA SER 72 HA SER 72 -7.997 -2.887 -15.411 527 1HB SER 72 2HB SER 72 -9.451 -4.408 -13.517 528 2HB SER 72 1HB SER 72 -10.568 -4.060 -14.834 529 HG SER 72 HG SER 72 -8.705 -5.873 -14.801 530 H SER 73 H SER 73 -8.726 -0.228 -14.961 531 HA SER 73 HA SER 73 -11.347 0.592 -15.347 532 1HB SER 73 2HB SER 73 -10.074 2.276 -17.066 533 2HB SER 73 1HB SER 73 -10.021 2.448 -15.313 534 HG SER 73 HG SER 73 -7.996 2.114 -16.890 535 HA PRO 74 HA PRO 74 -12.593 -1.075 -19.217 536 1HB PRO 74 2HB PRO 74 -14.630 0.689 -19.761 537 2HB PRO 74 1HB PRO 74 -14.752 -0.606 -18.558 538 1HG PRO 74 2HG PRO 74 -14.412 2.326 -18.131 539 2HG PRO 74 1HG PRO 74 -15.149 1.116 -17.068 540 1HD PRO 74 2HD PRO 74 -12.552 2.206 -16.785 541 2HD PRO 74 1HD PRO 74 -13.178 0.768 -15.950 542 H GLY 75 H GLY 75 -12.111 2.453 -19.036 543 1HA GLY 75 2HA GLY 75 -11.443 2.474 -21.940 544 2HA GLY 75 1HA GLY 75 -11.816 3.903 -20.975 545 HA PRO 76 HA PRO 76 -7.170 2.807 -20.923 546 1HB PRO 76 2HB PRO 76 -6.298 3.744 -23.355 547 2HB PRO 76 1HB PRO 76 -6.760 2.058 -23.064 548 1HG PRO 76 2HG PRO 76 -8.247 4.183 -24.532 549 2HG PRO 76 1HG PRO 76 -8.324 2.424 -24.724 550 1HD PRO 76 2HD PRO 76 -10.212 4.032 -23.351 551 2HD PRO 76 1HD PRO 76 -10.103 2.260 -23.289 552 H ASN 77 H ASN 77 -9.187 5.369 -21.035 553 HA ASN 77 HA ASN 77 -7.491 7.614 -21.556 554 1HB ASN 77 2HB ASN 77 -10.077 7.499 -21.230 555 2HB ASN 77 1HB ASN 77 -9.705 7.683 -19.516 556 1HD2 ASN 77 1HD2 ASN 77 -7.941 9.571 -19.168 557 2HD2 ASN 77 2HD2 ASN 77 -8.267 11.001 -20.021 558 H ALA 78 H ALA 78 -8.309 5.937 -18.508 559 HA ALA 78 HA ALA 78 -6.655 7.618 -16.859 560 1HB ALA 78 1HB ALA 78 -7.682 6.429 -15.249 561 2HB ALA 78 2HB ALA 78 -6.842 4.969 -15.769 562 3HB ALA 78 3HB ALA 78 -8.394 5.395 -16.487 563 H PHE 79 H PHE 79 -6.098 4.358 -18.236 564 HA PHE 79 HA PHE 79 -3.497 3.941 -17.270 565 1HB PHE 79 2HB PHE 79 -4.773 3.155 -19.897 566 2HB PHE 79 1HB PHE 79 -3.159 2.620 -19.434 567 HD1 PHE 79 HD1 PHE 79 -6.019 1.138 -19.807 568 HD2 PHE 79 HD2 PHE 79 -3.567 2.291 -16.471 569 HE1 PHE 79 HE1 PHE 79 -7.012 -0.683 -18.445 570 HE2 PHE 79 HE2 PHE 79 -4.561 0.473 -15.110 571 HZ PHE 79 HZ PHE 79 -6.284 -1.015 -16.097 572 H GLU 80 H GLU 80 -4.579 5.971 -19.942 573 HA GLU 80 HA GLU 80 -1.976 6.467 -21.055 574 1HB GLU 80 2HB GLU 80 -4.668 7.334 -21.517 575 2HB GLU 80 1HB GLU 80 -3.630 8.757 -21.423 576 1HG GLU 80 2HG GLU 80 -2.942 8.326 -23.521 577 2HG GLU 80 1HG GLU 80 -2.187 6.848 -22.920 578 H VAL 81 H VAL 81 -3.902 8.166 -18.586 579 HA VAL 81 HA VAL 81 -2.099 10.357 -18.234 580 HB VAL 81 HB VAL 81 -3.727 9.187 -15.984 581 1HG1 VAL 81 1HG1 VAL 81 -2.169 11.383 -16.069 582 2HG1 VAL 81 2HG1 VAL 81 -3.649 11.313 -15.114 583 3HG1 VAL 81 3HG1 VAL 81 -3.661 12.076 -16.704 584 1HG2 VAL 81 1HG2 VAL 81 -5.561 10.742 -17.039 585 2HG2 VAL 81 2HG2 VAL 81 -5.354 9.106 -17.667 586 3HG2 VAL 81 3HG2 VAL 81 -4.664 10.478 -18.535 587 H LEU 82 H LEU 82 -2.431 7.348 -16.312 588 HA LEU 82 HA LEU 82 -0.174 7.825 -14.645 589 1HB LEU 82 2HB LEU 82 -1.223 5.136 -15.574 590 2HB LEU 82 1HB LEU 82 -0.261 5.446 -14.129 591 HG LEU 82 HG LEU 82 -2.925 6.795 -14.592 592 1HD1 LEU 82 1HD1 LEU 82 -3.326 4.837 -12.671 593 2HD1 LEU 82 2HD1 LEU 82 -2.348 4.011 -13.882 594 3HD1 LEU 82 3HD1 LEU 82 -3.878 4.757 -14.344 595 1HD2 LEU 82 1HD2 LEU 82 -1.801 6.109 -11.915 596 2HD2 LEU 82 2HD2 LEU 82 -2.704 7.538 -12.421 597 3HD2 LEU 82 3HD2 LEU 82 -0.991 7.390 -12.819 598 H ASN 83 H ASN 83 -0.364 6.939 -17.969 599 HA ASN 83 HA ASN 83 2.160 5.559 -18.176 600 1HB ASN 83 2HB ASN 83 0.161 6.708 -20.034 601 2HB ASN 83 1HB ASN 83 1.813 6.642 -20.651 602 1HD2 ASN 83 1HD2 ASN 83 -0.920 4.870 -20.767 603 2HD2 ASN 83 2HD2 ASN 83 -0.275 3.299 -20.777 604 H GLU 84 H GLU 84 1.255 8.914 -19.078 605 HA GLU 84 HA GLU 84 3.968 9.741 -19.529 606 1HB GLU 84 2HB GLU 84 1.423 11.274 -18.956 607 2HB GLU 84 1HB GLU 84 2.965 12.075 -19.263 608 1HG GLU 84 2HG GLU 84 3.081 11.285 -21.473 609 2HG GLU 84 1HG GLU 84 1.929 9.985 -21.166 610 H LEU 85 H LEU 85 1.894 9.745 -16.665 611 HA LEU 85 HA LEU 85 3.533 11.394 -15.012 612 1HB LEU 85 2HB LEU 85 1.556 9.192 -14.438 613 2HB LEU 85 1HB LEU 85 2.457 9.962 -13.132 614 HG LEU 85 HG LEU 85 1.146 11.752 -15.125 615 1HD1 LEU 85 1HD1 LEU 85 -0.967 11.616 -13.710 616 2HD1 LEU 85 2HD1 LEU 85 -0.320 10.120 -13.039 617 3HD1 LEU 85 3HD1 LEU 85 -0.673 10.232 -14.763 618 1HD2 LEU 85 1HD2 LEU 85 2.154 11.800 -12.359 619 2HD2 LEU 85 2HD2 LEU 85 0.609 12.625 -12.564 620 3HD2 LEU 85 3HD2 LEU 85 2.005 13.117 -13.522 621 H GLY 86 H GLY 86 4.116 8.303 -16.323 622 1HA GLY 86 2HA GLY 86 6.069 6.987 -16.126 623 2HA GLY 86 1HA GLY 86 6.665 8.124 -14.917 624 H ILE 87 H ILE 87 3.485 6.773 -14.533 625 HA ILE 87 HA ILE 87 4.421 5.398 -12.084 626 HB ILE 87 HB ILE 87 1.554 5.473 -12.984 627 1HG1 ILE 87 2HG1 ILE 87 2.401 7.763 -13.325 628 2HG1 ILE 87 1HG1 ILE 87 1.334 7.702 -11.920 629 1HG2 ILE 87 1HG2 ILE 87 3.024 5.533 -10.336 630 2HG2 ILE 87 2HG2 ILE 87 1.998 4.244 -10.966 631 3HG2 ILE 87 3HG2 ILE 87 1.284 5.781 -10.478 632 1HD1 ILE 87 1HD1 ILE 87 2.992 8.380 -10.556 633 2HD1 ILE 87 2HD1 ILE 87 3.985 8.650 -11.988 634 3HD1 ILE 87 3HD1 ILE 87 4.058 7.104 -11.142 635 H LYS 88 H LYS 88 4.203 3.163 -11.774 636 HA LYS 88 HA LYS 88 4.139 1.552 -14.213 637 1HB LYS 88 2HB LYS 88 5.085 1.249 -11.509 638 2HB LYS 88 1HB LYS 88 4.056 -0.122 -11.925 639 1HG LYS 88 2HG LYS 88 5.380 -0.303 -14.093 640 2HG LYS 88 1HG LYS 88 6.515 0.854 -13.394 641 1HD LYS 88 2HD LYS 88 5.718 -1.664 -11.929 642 2HD LYS 88 1HD LYS 88 7.056 -1.644 -13.079 643 1HE LYS 88 2HE LYS 88 7.357 0.625 -11.384 644 2HE LYS 88 1HE LYS 88 7.051 -0.771 -10.350 645 1HZ LYS 88 1HZ LYS 88 8.772 -1.928 -11.815 646 2HZ LYS 88 2HZ LYS 88 9.333 -0.801 -10.674 647 3HZ LYS 88 3HZ LYS 88 9.218 -0.370 -12.314 648 H ILE 89 H ILE 89 2.167 1.134 -15.099 649 HA ILE 89 HA ILE 89 -0.218 0.925 -13.383 650 HB ILE 89 HB ILE 89 -0.101 0.412 -16.358 651 1HG1 ILE 89 2HG1 ILE 89 -0.509 3.114 -15.056 652 2HG1 ILE 89 1HG1 ILE 89 1.060 2.585 -15.664 653 1HG2 ILE 89 1HG2 ILE 89 -2.321 1.908 -15.137 654 2HG2 ILE 89 2HG2 ILE 89 -2.149 0.263 -14.525 655 3HG2 ILE 89 3HG2 ILE 89 -2.363 0.542 -16.252 656 1HD1 ILE 89 1HD1 ILE 89 0.464 3.023 -17.793 657 2HD1 ILE 89 2HD1 ILE 89 -0.983 3.801 -17.152 658 3HD1 ILE 89 3HD1 ILE 89 -1.031 2.102 -17.622 659 H TYR 90 H TYR 90 -1.530 -0.982 -13.274 660 HA TYR 90 HA TYR 90 -0.231 -3.489 -14.240 661 1HB TYR 90 2HB TYR 90 -0.704 -2.645 -11.472 662 2HB TYR 90 1HB TYR 90 -1.414 -4.216 -11.840 663 HD1 TYR 90 HD1 TYR 90 -0.063 -6.130 -11.816 664 HD2 TYR 90 HD2 TYR 90 1.758 -2.267 -12.299 665 HE1 TYR 90 HE1 TYR 90 2.185 -7.175 -11.697 666 HE2 TYR 90 HE2 TYR 90 4.004 -3.311 -12.182 667 HH TYR 90 HH TYR 90 5.129 -5.200 -11.672 668 H ARG 91 H ARG 91 -1.686 -4.898 -15.152 669 HA ARG 91 HA ARG 91 -4.519 -4.055 -15.223 670 1HB ARG 91 2HB ARG 91 -2.807 -5.947 -16.795 671 2HB ARG 91 1HB ARG 91 -4.553 -6.202 -16.781 672 1HG ARG 91 2HG ARG 91 -4.127 -3.417 -17.155 673 2HG ARG 91 1HG ARG 91 -3.047 -4.260 -18.267 674 1HD ARG 91 2HD ARG 91 -6.043 -4.639 -18.011 675 2HD ARG 91 1HD ARG 91 -5.179 -3.939 -19.379 676 HE ARG 91 HE ARG 91 -4.393 -6.690 -18.713 677 1HH1 ARG 91 1HH2 ARG 91 -7.071 -5.069 -20.012 678 2HH1 ARG 91 2HH2 ARG 91 -7.121 -5.991 -21.478 679 1HH2 ARG 91 2HH1 ARG 91 -4.161 -7.677 -20.833 680 2HH2 ARG 91 1HH1 ARG 91 -5.474 -7.467 -21.943 681 H ALA 92 H ALA 92 -6.120 -5.092 -14.094 682 HA ALA 92 HA ALA 92 -5.325 -7.217 -12.224 683 1HB ALA 92 1HB ALA 92 -6.882 -5.316 -11.612 684 2HB ALA 92 2HB ALA 92 -7.511 -6.923 -11.249 685 3HB ALA 92 3HB ALA 92 -8.086 -6.051 -12.671 686 H THR 93 H THR 93 -4.874 -8.564 -14.338 687 HA THR 93 HA THR 93 -7.196 -9.658 -15.699 688 HB THR 93 HB THR 93 -4.953 -9.586 -16.752 689 HG1 THR 93 HG1 THR 93 -6.666 -11.409 -16.942 690 1HG2 THR 93 1HG2 THR 93 -3.362 -10.003 -15.120 691 2HG2 THR 93 2HG2 THR 93 -3.443 -11.583 -15.898 692 3HG2 THR 93 3HG2 THR 93 -4.303 -11.301 -14.387 693 H GLY 94 H GLY 94 -5.354 -10.484 -12.845 694 1HA GLY 94 2HA GLY 94 -6.120 -13.203 -12.546 695 2HA GLY 94 1HA GLY 94 -5.723 -12.125 -11.207 696 H THR 95 H THR 95 -7.378 -11.462 -9.894 697 HA THR 95 HA THR 95 -10.058 -10.988 -10.699 698 HB THR 95 HB THR 95 -10.204 -13.374 -11.158 699 HG1 THR 95 HG1 THR 95 -12.087 -13.108 -10.298 700 1HG2 THR 95 1HG2 THR 95 -9.590 -15.058 -9.596 701 2HG2 THR 95 2HG2 THR 95 -9.454 -13.893 -8.279 702 3HG2 THR 95 3HG2 THR 95 -8.258 -13.902 -9.575 703 H SER 96 H SER 96 -8.082 -12.338 -8.053 704 HA SER 96 HA SER 96 -9.710 -10.815 -6.095 705 1HB SER 96 2HB SER 96 -7.360 -12.628 -5.516 706 2HB SER 96 1HB SER 96 -8.619 -12.107 -4.401 707 HG SER 96 HG SER 96 -8.719 -13.971 -6.500 708 H VAL 97 H VAL 97 -9.029 -8.847 -5.400 709 HA VAL 97 HA VAL 97 -6.635 -7.623 -6.378 710 HB VAL 97 HB VAL 97 -7.135 -5.917 -4.527 711 1HG1 VAL 97 1HG1 VAL 97 -9.261 -6.718 -6.535 712 2HG1 VAL 97 2HG1 VAL 97 -7.942 -5.576 -6.790 713 3HG1 VAL 97 3HG1 VAL 97 -9.249 -5.180 -5.673 714 1HG2 VAL 97 1HG2 VAL 97 -9.836 -6.824 -4.124 715 2HG2 VAL 97 2HG2 VAL 97 -8.601 -6.486 -2.911 716 3HG2 VAL 97 3HG2 VAL 97 -8.724 -8.096 -3.621 717 H GLU 98 H GLU 98 -7.379 -9.354 -3.386 718 HA GLU 98 HA GLU 98 -4.975 -8.676 -1.981 719 1HB GLU 98 2HB GLU 98 -7.126 -9.851 -1.110 720 2HB GLU 98 1HB GLU 98 -6.371 -11.333 -1.696 721 1HG GLU 98 2HG GLU 98 -4.874 -11.372 -0.001 722 2HG GLU 98 1HG GLU 98 -4.539 -9.646 -0.149 723 H GLU 99 H GLU 99 -5.757 -11.180 -4.348 724 HA GLU 99 HA GLU 99 -3.244 -12.597 -4.047 725 1HB GLU 99 2HB GLU 99 -5.080 -13.819 -4.984 726 2HB GLU 99 1HB GLU 99 -5.366 -12.580 -6.207 727 1HG GLU 99 2HG GLU 99 -3.368 -13.127 -7.380 728 2HG GLU 99 1HG GLU 99 -2.752 -14.088 -6.034 729 H ASN 100 H ASN 100 -4.431 -10.008 -6.154 730 HA ASN 100 HA ASN 100 -2.136 -9.962 -7.893 731 1HB ASN 100 2HB ASN 100 -4.205 -7.865 -7.190 732 2HB ASN 100 1HB ASN 100 -2.945 -7.609 -8.399 733 1HD2 ASN 100 1HD2 ASN 100 -5.732 -7.633 -9.108 734 2HD2 ASN 100 2HD2 ASN 100 -6.019 -8.993 -10.083 735 H LEU 101 H LEU 101 -2.807 -8.622 -4.730 736 HA LEU 101 HA LEU 101 -0.819 -6.603 -4.616 737 1HB LEU 101 2HB LEU 101 -2.439 -6.803 -2.837 738 2HB LEU 101 1HB LEU 101 -1.895 -8.437 -2.459 739 HG LEU 101 HG LEU 101 0.269 -7.610 -1.735 740 1HD1 LEU 101 1HD1 LEU 101 -0.784 -4.894 -2.586 741 2HD1 LEU 101 2HD1 LEU 101 0.521 -5.792 -3.362 742 3HD1 LEU 101 3HD1 LEU 101 0.731 -5.165 -1.727 743 1HD2 LEU 101 1HD2 LEU 101 -2.253 -6.614 -0.599 744 2HD2 LEU 101 2HD2 LEU 101 -0.847 -5.658 -0.126 745 3HD2 LEU 101 3HD2 LEU 101 -0.889 -7.390 0.206 746 H LYS 102 H LYS 102 -0.517 -9.933 -3.300 747 HA LYS 102 HA LYS 102 2.346 -9.727 -3.038 748 1HB LYS 102 2HB LYS 102 0.324 -11.617 -2.362 749 2HB LYS 102 1HB LYS 102 1.537 -12.465 -3.323 750 1HG LYS 102 2HG LYS 102 3.250 -11.209 -1.790 751 2HG LYS 102 1HG LYS 102 1.872 -11.028 -0.703 752 1HD LYS 102 2HD LYS 102 1.631 -13.351 -0.418 753 2HD LYS 102 1HD LYS 102 2.557 -13.718 -1.874 754 1HE LYS 102 2HE LYS 102 3.757 -12.384 0.566 755 2HE LYS 102 1HE LYS 102 3.803 -14.126 0.292 756 1HZ LYS 102 1HZ LYS 102 5.227 -11.988 -1.085 757 2HZ LYS 102 2HZ LYS 102 4.703 -13.294 -2.038 758 3HZ LYS 102 3HZ LYS 102 5.732 -13.563 -0.713 759 H LEU 103 H LEU 103 0.225 -10.592 -5.663 760 HA LEU 103 HA LEU 103 2.101 -12.077 -7.242 761 1HB LEU 103 2HB LEU 103 -0.533 -10.867 -7.603 762 2HB LEU 103 1HB LEU 103 0.463 -10.738 -9.053 763 HG LEU 103 HG LEU 103 -0.766 -12.843 -9.118 764 1HD1 LEU 103 1HD1 LEU 103 1.836 -13.966 -8.346 765 2HD1 LEU 103 2HD1 LEU 103 1.968 -12.570 -9.416 766 3HD1 LEU 103 3HD1 LEU 103 1.028 -13.978 -9.913 767 1HD2 LEU 103 1HD2 LEU 103 -1.248 -13.908 -7.192 768 2HD2 LEU 103 2HD2 LEU 103 -0.191 -12.811 -6.304 769 3HD2 LEU 103 3HD2 LEU 103 0.460 -14.297 -6.995 770 H PHE 104 H PHE 104 1.600 -8.636 -6.727 771 HA PHE 104 HA PHE 104 3.075 -7.688 -8.992 772 1HB PHE 104 2HB PHE 104 1.698 -6.145 -7.735 773 2HB PHE 104 1HB PHE 104 2.607 -6.465 -6.257 774 HD1 PHE 104 HD1 PHE 104 5.109 -5.900 -6.229 775 HD2 PHE 104 HD2 PHE 104 2.408 -4.475 -9.252 776 HE1 PHE 104 HE1 PHE 104 6.728 -4.121 -6.837 777 HE2 PHE 104 HE2 PHE 104 4.027 -2.695 -9.859 778 HZ PHE 104 HZ PHE 104 6.187 -2.519 -8.652 779 H THR 105 H THR 105 4.080 -8.476 -5.662 780 HA THR 105 HA THR 105 6.790 -7.682 -5.876 781 HB THR 105 HB THR 105 5.657 -10.033 -4.328 782 HG1 THR 105 HG1 THR 105 5.849 -8.296 -2.646 783 1HG2 THR 105 1HG2 THR 105 7.658 -9.337 -2.817 784 2HG2 THR 105 2HG2 THR 105 8.274 -8.548 -4.268 785 3HG2 THR 105 3HG2 THR 105 7.991 -10.289 -4.264 786 H GLU 106 H GLU 106 5.152 -10.572 -7.045 787 HA GLU 106 HA GLU 106 7.702 -11.850 -7.788 788 1HB GLU 106 2HB GLU 106 4.902 -12.728 -8.536 789 2HB GLU 106 1HB GLU 106 6.365 -13.714 -8.497 790 1HG GLU 106 2HG GLU 106 5.844 -12.387 -5.943 791 2HG GLU 106 1HG GLU 106 4.529 -13.460 -6.427 792 H GLY 107 H GLY 107 5.284 -9.815 -9.225 793 1HA GLY 107 2HA GLY 107 5.373 -8.708 -11.310 794 2HA GLY 107 1HA GLY 107 6.897 -9.535 -11.636 795 H ASN 108 H ASN 108 4.119 -11.409 -10.686 796 HA ASN 108 HA ASN 108 4.214 -12.855 -13.230 797 1HB ASN 108 2HB ASN 108 3.418 -13.470 -10.611 798 2HB ASN 108 1HB ASN 108 1.925 -13.488 -11.551 799 1HD2 ASN 108 1HD2 ASN 108 1.671 -15.783 -11.713 800 2HD2 ASN 108 2HD2 ASN 108 2.785 -16.779 -12.519 801 H LEU 109 H LEU 109 2.129 -10.483 -11.672 802 HA LEU 109 HA LEU 109 -0.088 -10.721 -13.487 803 1HB LEU 109 2HB LEU 109 0.471 -9.244 -11.199 804 2HB LEU 109 1HB LEU 109 0.374 -8.019 -12.464 805 HG LEU 109 HG LEU 109 -1.817 -8.883 -13.159 806 1HD1 LEU 109 1HD1 LEU 109 -2.588 -10.911 -12.528 807 2HD1 LEU 109 2HD1 LEU 109 -2.244 -10.592 -10.828 808 3HD1 LEU 109 3HD1 LEU 109 -0.974 -11.210 -11.885 809 1HD2 LEU 109 1HD2 LEU 109 -1.846 -7.156 -11.459 810 2HD2 LEU 109 2HD2 LEU 109 -1.527 -8.338 -10.190 811 3HD2 LEU 109 3HD2 LEU 109 -3.073 -8.350 -11.037 812 H GLU 110 H GLU 110 -0.457 -8.128 -14.479 813 HA GLU 110 HA GLU 110 1.723 -7.994 -16.521 814 1HB GLU 110 2HB GLU 110 -0.469 -8.547 -17.470 815 2HB GLU 110 1HB GLU 110 -1.180 -7.130 -16.698 816 1HG GLU 110 2HG GLU 110 -0.563 -5.855 -18.442 817 2HG GLU 110 1HG GLU 110 1.126 -6.283 -18.164 818 H GLU 111 H GLU 111 2.786 -6.046 -16.803 819 HA GLU 111 HA GLU 111 1.776 -3.719 -15.218 820 1HB GLU 111 2HB GLU 111 4.008 -3.191 -14.521 821 2HB GLU 111 1HB GLU 111 3.791 -4.913 -14.204 822 1HG GLU 111 2HG GLU 111 4.839 -5.377 -16.452 823 2HG GLU 111 1HG GLU 111 5.219 -3.657 -16.563 824 H ILE 112 H ILE 112 2.696 -1.615 -16.047 825 HA ILE 112 HA ILE 112 3.652 -1.653 -18.836 826 HB ILE 112 HB ILE 112 1.046 -0.304 -18.058 827 1HG1 ILE 112 2HG1 ILE 112 1.707 -2.761 -19.700 828 2HG1 ILE 112 1HG1 ILE 112 0.621 -2.643 -18.316 829 1HG2 ILE 112 1HG2 ILE 112 2.107 -0.562 -20.855 830 2HG2 ILE 112 2HG2 ILE 112 2.725 0.724 -19.817 831 3HG2 ILE 112 3HG2 ILE 112 1.002 0.641 -20.187 832 1HD1 ILE 112 1HD1 ILE 112 -0.857 -2.664 -20.148 833 2HD1 ILE 112 2HD1 ILE 112 0.199 -1.647 -21.128 834 3HD1 ILE 112 3HD1 ILE 112 -0.699 -0.946 -19.783 835 H ARG 113 H ARG 113 5.452 -0.421 -18.402 836 HA ARG 113 HA ARG 113 4.981 2.211 -17.057 837 1HB ARG 113 2HB ARG 113 7.363 2.047 -16.295 838 2HB ARG 113 1HB ARG 113 6.332 0.784 -15.619 839 1HG ARG 113 2HG ARG 113 7.114 -0.807 -17.298 840 2HG ARG 113 1HG ARG 113 8.073 0.450 -18.080 841 1HD ARG 113 2HD ARG 113 8.702 0.341 -15.263 842 2HD ARG 113 1HD ARG 113 8.888 -1.257 -15.985 843 HE ARG 113 HE ARG 113 10.211 0.237 -17.798 844 1HH1 ARG 113 1HH2 ARG 113 11.001 -0.949 -14.837 845 2HH1 ARG 113 2HH2 ARG 113 12.260 0.187 -14.484 846 1HH2 ARG 113 2HH1 ARG 113 11.484 2.276 -17.140 847 2HH2 ARG 113 1HH1 ARG 113 12.534 2.012 -15.788 848 H SER 114 H SER 114 5.464 0.917 -19.998 849 HA SER 114 HA SER 114 6.997 3.309 -20.900 850 1HB SER 114 2HB SER 114 7.609 0.422 -21.428 851 2HB SER 114 1HB SER 114 7.951 1.608 -22.684 852 HG SER 114 HG SER 114 9.017 1.355 -20.094 853 HA PRO 115 HA PRO 115 3.862 3.537 -23.964 854 1HB PRO 115 2HB PRO 115 5.239 4.941 -25.886 855 2HB PRO 115 1HB PRO 115 4.626 5.672 -24.392 856 1HG PRO 115 2HG PRO 115 7.429 4.951 -25.117 857 2HG PRO 115 1HG PRO 115 6.843 6.197 -24.002 858 1HD PRO 115 2HD PRO 115 7.884 3.674 -23.261 859 2HD PRO 115 1HD PRO 115 6.986 4.784 -22.203 860 H GLY 116 H GLY 116 3.505 3.013 -26.374 861 1HA GLY 116 2HA GLY 116 4.605 1.876 -28.360 862 2HA GLY 116 1HA GLY 116 5.303 0.761 -27.185 863 H SER 117 H SER 117 3.721 -0.188 -29.292 864 HA SER 117 HA SER 117 1.877 -1.578 -29.699 865 1HB SER 117 2HB SER 117 2.106 -1.723 -26.690 866 2HB SER 117 1HB SER 117 0.902 -2.648 -27.582 867 HG SER 117 HG SER 117 2.844 -3.302 -28.896 868 H GLY 118 H GLY 118 -0.578 -1.877 -28.655 869 1HA GLY 118 2HA GLY 118 -2.445 -0.578 -27.689 870 2HA GLY 118 1HA GLY 118 -1.618 0.891 -28.212 871 H ARG 119 H ARG 119 -2.710 -2.163 -29.740 872 HA ARG 119 HA ARG 119 -3.647 -0.516 -32.051 873 1HB ARG 119 2HB ARG 119 -2.077 -2.867 -31.932 874 2HB ARG 119 1HB ARG 119 -3.647 -3.355 -32.572 875 1HG ARG 119 2HG ARG 119 -2.410 -2.695 -34.484 876 2HG ARG 119 1HG ARG 119 -3.447 -1.312 -34.130 877 1HD ARG 119 2HD ARG 119 -1.046 -0.698 -34.597 878 2HD ARG 119 1HD ARG 119 -1.636 -0.150 -33.028 879 HE ARG 119 HE ARG 119 -0.375 -2.007 -31.995 880 1HH1 ARG 119 2HH1 ARG 119 1.726 -0.420 -33.351 881 2HH1 ARG 119 1HH1 ARG 119 2.570 -1.615 -34.277 882 1HH2 ARG 119 1HH2 ARG 119 0.035 -3.971 -34.044 883 2HH2 ARG 119 2HH2 ARG 119 1.613 -3.625 -34.670 884 H GLY 120 H GLY 120 -5.707 -1.215 -33.052 885 1HA GLY 120 2HA GLY 120 -7.470 -2.861 -31.329 886 2HA GLY 120 1HA GLY 120 -7.963 -1.193 -31.625 887 H ARG 121 H ARG 121 -9.238 -3.757 -32.496 888 HA ARG 121 HA ARG 121 -9.101 -3.318 -35.455 889 1HB ARG 121 2HB ARG 121 -9.969 -5.651 -35.647 890 2HB ARG 121 1HB ARG 121 -8.397 -5.577 -34.851 891 1HG ARG 121 2HG ARG 121 -10.421 -5.259 -32.854 892 2HG ARG 121 1HG ARG 121 -10.831 -6.668 -33.833 893 1HD ARG 121 2HD ARG 121 -8.902 -7.809 -33.251 894 2HD ARG 121 1HD ARG 121 -7.989 -6.330 -32.959 895 HE ARG 121 HE ARG 121 -8.711 -6.419 -30.722 896 1HH1 ARG 121 2HH1 ARG 121 -9.144 -9.314 -30.795 897 2HH1 ARG 121 1HH1 ARG 121 -10.817 -9.480 -30.378 898 1HH2 ARG 121 1HH2 ARG 121 -11.585 -6.166 -31.038 899 2HH2 ARG 121 2HH2 ARG 121 -12.198 -7.699 -30.517 900 H ARG 122 H ARG 122 -10.673 -1.500 -34.792 901 HA ARG 122 HA ARG 122 -13.278 -2.070 -33.793 902 1HB ARG 122 2HB ARG 122 -11.942 0.158 -35.159 903 2HB ARG 122 1HB ARG 122 -13.656 0.030 -35.559 904 1HG ARG 122 2HG ARG 122 -14.046 1.101 -33.607 905 2HG ARG 122 1HG ARG 122 -13.601 -0.413 -32.817 906 1HD ARG 122 2HD ARG 122 -12.253 1.368 -31.867 907 2HD ARG 122 1HD ARG 122 -11.209 0.343 -32.851 908 HE ARG 122 HE ARG 122 -11.498 2.117 -34.664 909 1HH1 ARG 122 1HH2 ARG 122 -13.390 3.414 -32.406 910 2HH1 ARG 122 2HH2 ARG 122 -12.435 4.818 -32.065 911 1HH2 ARG 122 2HH1 ARG 122 -9.643 3.659 -33.762 912 2HH2 ARG 122 1HH1 ARG 122 -10.314 4.958 -32.831 913 H ARG 123 H ARG 123 -13.035 -0.914 -37.114 914 HA ARG 123 HA ARG 123 -14.929 -3.068 -37.904 915 1HB ARG 123 2HB ARG 123 -14.116 -0.613 -39.483 916 2HB ARG 123 1HB ARG 123 -15.495 -1.669 -39.788 917 1HG ARG 123 2HG ARG 123 -16.126 -1.022 -37.297 918 2HG ARG 123 1HG ARG 123 -15.120 0.386 -37.640 919 1HD ARG 123 2HD ARG 123 -17.003 -0.279 -39.800 920 2HD ARG 123 1HD ARG 123 -17.787 0.171 -38.287 921 HE ARG 123 HE ARG 123 -16.528 2.314 -38.385 922 1HH1 ARG 123 1HH2 ARG 123 -14.450 1.447 -40.384 923 2HH1 ARG 123 2HH2 ARG 123 -15.013 2.208 -41.835 924 1HH2 ARG 123 2HH1 ARG 123 -18.197 2.812 -40.601 925 2HH2 ARG 123 1HH1 ARG 123 -17.134 2.980 -41.957 926 H ARG 124 HN ARG 124 -14.431 -4.505 -39.585 927 HA ARG 124 HA ARG 124 -13.025 -5.785 -40.962 928 1HB ARG 124 2HB ARG 124 -12.639 -3.021 -41.651 929 2HB ARG 124 1HB ARG 124 -11.094 -3.865 -41.777 930 1HG ARG 124 2HG ARG 124 -12.064 -5.542 -43.239 931 2HG ARG 124 1HG ARG 124 -13.676 -4.860 -43.015 932 1HD ARG 124 2HD ARG 124 -12.599 -2.655 -43.908 933 2HD ARG 124 1HD ARG 124 -11.341 -3.720 -44.535 934 HE ARG 124 HE ARG 124 -12.882 -4.496 -46.149 935 1HH1 ARG 124 1HH1 ARG 124 -14.190 -1.763 -45.014 936 2HH1 ARG 124 2HH1 ARG 124 -15.853 -2.231 -45.129 937 1HH2 ARG 124 1HH2 ARG 124 -15.147 -5.582 -45.684 938 2HH2 ARG 124 2HH2 ARG 124 -16.396 -4.394 -45.509 Start of MODEL 17 1 1H MET 1 1H MET 1 6.949 3.666 -4.622 2 2H MET 1 2H MET 1 7.970 3.698 -5.980 3 3H MET 1 3H MET 1 8.618 3.430 -4.433 4 HA MET 1 HA MET 1 7.424 1.573 -6.271 5 1HB MET 1 2HB MET 1 9.699 1.759 -4.718 6 2HB MET 1 1HB MET 1 8.714 0.609 -3.813 7 1HG MET 1 2HG MET 1 8.368 -0.227 -6.423 8 2HG MET 1 1HG MET 1 10.055 0.283 -6.403 9 1HE MET 1 1HE MET 1 8.279 -2.236 -6.739 10 2HE MET 1 2HE MET 1 7.649 -2.807 -5.196 11 3HE MET 1 3HE MET 1 9.025 -3.623 -5.934 12 H LYS 2 H LYS 2 5.203 2.630 -5.239 13 HA LYS 2 HA LYS 2 4.395 0.809 -3.007 14 1HB LYS 2 2HB LYS 2 3.959 3.618 -3.477 15 2HB LYS 2 1HB LYS 2 2.405 2.783 -3.440 16 1HG LYS 2 2HG LYS 2 3.089 1.691 -1.301 17 2HG LYS 2 1HG LYS 2 4.569 2.650 -1.321 18 1HD LYS 2 2HD LYS 2 1.731 3.709 -1.200 19 2HD LYS 2 1HD LYS 2 2.936 3.774 0.087 20 1HE LYS 2 2HE LYS 2 3.212 5.114 -2.621 21 2HE LYS 2 1HE LYS 2 2.763 5.935 -1.125 22 1HZ LYS 2 1HZ LYS 2 4.946 4.774 -0.289 23 2HZ LYS 2 2HZ LYS 2 4.998 6.264 -1.105 24 3HZ LYS 2 3HZ LYS 2 5.345 4.824 -1.936 25 H ILE 3 H ILE 3 2.724 -0.612 -3.361 26 HA ILE 3 HA ILE 3 1.625 -0.692 -6.128 27 HB ILE 3 HB ILE 3 1.765 -2.800 -3.954 28 1HG1 ILE 3 2HG1 ILE 3 2.979 -3.329 -6.566 29 2HG1 ILE 3 1HG1 ILE 3 3.688 -1.930 -5.763 30 1HG2 ILE 3 1HG2 ILE 3 0.679 -4.302 -5.437 31 2HG2 ILE 3 2HG2 ILE 3 0.846 -3.201 -6.804 32 3HG2 ILE 3 3HG2 ILE 3 -0.290 -2.831 -5.506 33 1HD1 ILE 3 1HD1 ILE 3 3.853 -3.386 -3.670 34 2HD1 ILE 3 2HD1 ILE 3 4.936 -3.816 -4.994 35 3HD1 ILE 3 3HD1 ILE 3 3.471 -4.757 -4.713 36 H ALA 4 H ALA 4 -0.201 0.597 -6.101 37 HA ALA 4 HA ALA 4 -2.151 0.187 -3.882 38 1HB ALA 4 1HB ALA 4 -2.315 2.313 -6.023 39 2HB ALA 4 2HB ALA 4 -1.332 2.534 -4.575 40 3HB ALA 4 3HB ALA 4 -3.075 2.305 -4.432 41 H ILE 5 H ILE 5 -3.339 -1.611 -4.488 42 HA ILE 5 HA ILE 5 -4.334 -1.764 -7.284 43 HB ILE 5 HB ILE 5 -3.312 -3.795 -6.331 44 1HG1 ILE 5 2HG1 ILE 5 -6.301 -4.230 -6.483 45 2HG1 ILE 5 1HG1 ILE 5 -5.345 -3.836 -7.913 46 1HG2 ILE 5 1HG2 ILE 5 -3.709 -4.429 -4.205 47 2HG2 ILE 5 2HG2 ILE 5 -5.447 -4.489 -4.502 48 3HG2 ILE 5 3HG2 ILE 5 -4.687 -2.975 -4.009 49 1HD1 ILE 5 1HD1 ILE 5 -4.530 -6.091 -6.087 50 2HD1 ILE 5 2HD1 ILE 5 -4.093 -5.828 -7.775 51 3HD1 ILE 5 3HD1 ILE 5 -5.727 -6.344 -7.357 52 H ALA 6 H ALA 6 -6.428 -1.264 -7.757 53 HA ALA 6 HA ALA 6 -8.154 -0.030 -5.867 54 1HB ALA 6 1HB ALA 6 -9.018 -1.435 -8.409 55 2HB ALA 6 2HB ALA 6 -8.298 0.175 -8.383 56 3HB ALA 6 3HB ALA 6 -9.846 -0.112 -7.589 57 H SER 7 H SER 7 -9.953 -0.836 -4.711 58 HA SER 7 HA SER 7 -10.342 -3.792 -4.768 59 1HB SER 7 2HB SER 7 -10.559 -2.533 -2.106 60 2HB SER 7 1HB SER 7 -9.841 -4.075 -2.566 61 HG SER 7 HG SER 7 -8.704 -1.581 -2.307 62 H SER 8 H SER 8 -12.442 -4.425 -3.761 63 HA SER 8 HA SER 8 -14.465 -2.256 -4.134 64 1HB SER 8 2HB SER 8 -15.861 -4.639 -4.131 65 2HB SER 8 1HB SER 8 -15.335 -3.776 -5.573 66 HG SER 8 HG SER 8 -13.632 -5.104 -5.760 67 H GLY 9 H GLY 9 -13.102 -4.496 -1.879 68 1HA GLY 9 2HA GLY 9 -15.251 -3.780 0.079 69 2HA GLY 9 1HA GLY 9 -14.415 -5.333 0.105 70 H THR 10 H THR 10 -12.991 -5.395 1.771 71 HA THR 10 HA THR 10 -11.274 -2.991 2.216 72 HB THR 10 HB THR 10 -11.788 -4.505 4.656 73 HG1 THR 10 HG1 THR 10 -13.988 -2.996 3.912 74 1HG2 THR 10 1HG2 THR 10 -12.656 -1.694 4.402 75 2HG2 THR 10 2HG2 THR 10 -10.973 -1.990 3.970 76 3HG2 THR 10 3HG2 THR 10 -11.564 -2.435 5.572 77 H ASP 11 H ASP 11 -11.692 -6.494 2.579 78 HA ASP 11 HA ASP 11 -8.752 -6.785 2.298 79 1HB ASP 11 2HB ASP 11 -10.374 -7.540 4.679 80 2HB ASP 11 1HB ASP 11 -9.152 -8.697 4.148 81 H LEU 12 H LEU 12 -11.384 -9.045 3.161 82 HA LEU 12 HA LEU 12 -10.536 -10.789 0.933 83 1HB LEU 12 2HB LEU 12 -12.174 -11.083 3.397 84 2HB LEU 12 1HB LEU 12 -12.641 -12.090 2.025 85 HG LEU 12 HG LEU 12 -10.921 -13.117 3.599 86 1HD1 LEU 12 1HD1 LEU 12 -10.871 -12.903 0.674 87 2HD1 LEU 12 2HD1 LEU 12 -10.754 -14.335 1.697 88 3HD1 LEU 12 3HD1 LEU 12 -9.315 -13.372 1.360 89 1HD2 LEU 12 1HD2 LEU 12 -9.635 -11.016 3.957 90 2HD2 LEU 12 2HD2 LEU 12 -9.137 -11.053 2.266 91 3HD2 LEU 12 3HD2 LEU 12 -8.609 -12.324 3.368 92 H GLY 13 H GLY 13 -13.186 -8.658 1.811 93 1HA GLY 13 2HA GLY 13 -15.019 -9.583 -0.223 94 2HA GLY 13 1HA GLY 13 -15.120 -8.038 0.624 95 H SER 14 H SER 14 -12.143 -7.728 -0.338 96 HA SER 14 HA SER 14 -12.838 -6.162 -2.698 97 1HB SER 14 2HB SER 14 -10.168 -6.061 -2.723 98 2HB SER 14 1HB SER 14 -11.114 -5.115 -1.576 99 HG SER 14 HG SER 14 -10.365 -7.753 -0.958 100 H GLU 15 H GLU 15 -13.638 -7.921 -4.062 101 HA GLU 15 HA GLU 15 -11.826 -10.056 -4.875 102 1HB GLU 15 2HB GLU 15 -14.514 -9.818 -4.941 103 2HB GLU 15 1HB GLU 15 -14.142 -9.333 -6.595 104 1HG GLU 15 2HG GLU 15 -12.874 -11.398 -6.946 105 2HG GLU 15 1HG GLU 15 -13.160 -11.878 -5.273 106 H VAL 16 H VAL 16 -11.673 -6.850 -5.480 107 HA VAL 16 HA VAL 16 -10.506 -5.612 -7.100 108 HB VAL 16 HB VAL 16 -9.819 -8.270 -8.376 109 1HG1 VAL 16 1HG1 VAL 16 -8.199 -5.721 -8.173 110 2HG1 VAL 16 2HG1 VAL 16 -9.293 -6.047 -9.517 111 3HG1 VAL 16 3HG1 VAL 16 -7.911 -7.104 -9.229 112 1HG2 VAL 16 1HG2 VAL 16 -7.684 -7.522 -6.761 113 2HG2 VAL 16 2HG2 VAL 16 -8.838 -8.808 -6.406 114 3HG2 VAL 16 3HG2 VAL 16 -9.092 -7.189 -5.753 115 H SER 17 H SER 17 -12.976 -5.312 -7.604 116 HA SER 17 HA SER 17 -14.213 -6.595 -9.808 117 1HB SER 17 2HB SER 17 -15.723 -4.731 -9.857 118 2HB SER 17 1HB SER 17 -15.279 -4.968 -8.170 119 HG SER 17 HG SER 17 -14.159 -3.100 -9.998 120 H ARG 18 H ARG 18 -14.808 -4.445 -11.591 121 HA ARG 18 HA ARG 18 -12.149 -3.824 -12.794 122 1HB ARG 18 2HB ARG 18 -13.063 -4.421 -15.026 123 2HB ARG 18 1HB ARG 18 -13.015 -5.813 -13.945 124 1HG ARG 18 2HG ARG 18 -15.510 -4.462 -13.560 125 2HG ARG 18 1HG ARG 18 -15.278 -4.721 -15.289 126 1HD ARG 18 2HD ARG 18 -14.991 -7.080 -14.990 127 2HD ARG 18 1HD ARG 18 -14.858 -6.907 -13.239 128 HE ARG 18 HE ARG 18 -17.282 -6.276 -13.239 129 1HH1 ARG 18 1HH2 ARG 18 -17.578 -5.791 -16.182 130 2HH1 ARG 18 2HH2 ARG 18 -18.342 -7.251 -16.714 131 1HH2 ARG 18 2HH1 ARG 18 -17.544 -9.028 -13.846 132 2HH2 ARG 18 1HH1 ARG 18 -18.322 -9.084 -15.392 133 H PHE 19 H PHE 19 -13.393 -1.890 -11.409 134 HA PHE 19 HA PHE 19 -14.491 -0.140 -13.559 135 1HB PHE 19 2HB PHE 19 -15.784 -0.942 -11.011 136 2HB PHE 19 1HB PHE 19 -15.870 0.775 -11.408 137 HD1 PHE 19 HD1 PHE 19 -17.704 -2.092 -11.652 138 HD2 PHE 19 HD2 PHE 19 -16.179 1.022 -14.193 139 HE1 PHE 19 HE1 PHE 19 -19.495 -2.562 -13.304 140 HE2 PHE 19 HE2 PHE 19 -17.970 0.552 -15.844 141 HZ PHE 19 HZ PHE 19 -19.628 -1.240 -15.400 142 H PHE 20 H PHE 20 -12.091 0.457 -13.348 143 HA PHE 20 HA PHE 20 -11.120 1.764 -10.985 144 1HB PHE 20 2HB PHE 20 -9.599 0.969 -12.739 145 2HB PHE 20 1HB PHE 20 -10.296 2.113 -13.885 146 HD1 PHE 20 HD1 PHE 20 -8.207 3.306 -14.292 147 HD2 PHE 20 HD2 PHE 20 -9.815 2.935 -10.324 148 HE1 PHE 20 HE1 PHE 20 -6.644 5.062 -13.494 149 HE2 PHE 20 HE2 PHE 20 -8.253 4.690 -9.527 150 HZ PHE 20 HZ PHE 20 -6.668 5.754 -11.111 151 H GLY 21 H GLY 21 -12.449 3.390 -10.192 152 1HA GLY 21 2HA GLY 21 -12.337 5.993 -10.903 153 2HA GLY 21 1HA GLY 21 -13.547 5.407 -12.044 154 H ARG 22 H ARG 22 -14.886 3.547 -10.405 155 HA ARG 22 HA ARG 22 -16.193 5.418 -8.485 156 1HB ARG 22 2HB ARG 22 -17.584 4.408 -10.315 157 2HB ARG 22 1HB ARG 22 -17.264 2.819 -9.619 158 1HG ARG 22 2HG ARG 22 -18.087 4.221 -7.412 159 2HG ARG 22 1HG ARG 22 -19.075 4.949 -8.681 160 1HD ARG 22 2HD ARG 22 -19.578 2.526 -9.417 161 2HD ARG 22 1HD ARG 22 -18.941 2.053 -7.842 162 HE ARG 22 HE ARG 22 -20.897 2.933 -6.843 163 1HH1 ARG 22 2HH1 ARG 22 -22.383 2.215 -9.305 164 2HH1 ARG 22 1HH1 ARG 22 -23.130 3.713 -9.749 165 1HH2 ARG 22 1HH2 ARG 22 -21.056 5.645 -7.751 166 2HH2 ARG 22 2HH2 ARG 22 -22.379 5.655 -8.869 167 H ALA 23 H ALA 23 -14.726 2.221 -8.767 168 HA ALA 23 HA ALA 23 -15.378 0.910 -6.454 169 1HB ALA 23 1HB ALA 23 -13.284 0.741 -8.254 170 2HB ALA 23 2HB ALA 23 -13.530 -0.328 -6.873 171 3HB ALA 23 3HB ALA 23 -12.463 1.068 -6.727 172 HA PRO 24 HA PRO 24 -14.306 4.247 -3.578 173 1HB PRO 24 2HB PRO 24 -16.241 3.555 -1.755 174 2HB PRO 24 1HB PRO 24 -16.551 4.582 -3.166 175 1HG PRO 24 2HG PRO 24 -17.330 1.746 -2.707 176 2HG PRO 24 1HG PRO 24 -18.071 2.955 -3.769 177 1HD PRO 24 2HD PRO 24 -16.326 0.851 -4.563 178 2HD PRO 24 1HD PRO 24 -16.877 2.204 -5.571 179 H TYR 25 H TYR 25 -12.722 1.860 -3.672 180 HA TYR 25 HA TYR 25 -12.079 1.597 -0.840 181 1HB TYR 25 2HB TYR 25 -13.625 -0.485 -2.249 182 2HB TYR 25 1HB TYR 25 -12.204 -1.081 -1.390 183 HD1 TYR 25 HD1 TYR 25 -15.611 -0.307 -1.039 184 HD2 TYR 25 HD2 TYR 25 -11.860 0.040 1.029 185 HE1 TYR 25 HE1 TYR 25 -16.820 -0.090 1.117 186 HE2 TYR 25 HE2 TYR 25 -13.068 0.255 3.186 187 HH TYR 25 HH TYR 25 -15.727 1.148 3.719 188 H PHE 26 H PHE 26 -10.229 2.619 -2.095 189 HA PHE 26 HA PHE 26 -8.663 0.849 -3.820 190 1HB PHE 26 2HB PHE 26 -8.738 3.626 -3.271 191 2HB PHE 26 1HB PHE 26 -7.140 3.067 -2.777 192 HD1 PHE 26 HD1 PHE 26 -9.597 2.720 -5.589 193 HD2 PHE 26 HD2 PHE 26 -5.470 2.807 -4.396 194 HE1 PHE 26 HE1 PHE 26 -8.907 2.596 -7.969 195 HE2 PHE 26 HE2 PHE 26 -4.779 2.682 -6.776 196 HZ PHE 26 HZ PHE 26 -6.498 2.576 -8.562 197 H MET 27 H MET 27 -6.624 -0.085 -3.257 198 HA MET 27 HA MET 27 -6.104 -0.225 -0.312 199 1HB MET 27 2HB MET 27 -7.073 -2.339 -1.275 200 2HB MET 27 1HB MET 27 -5.657 -2.451 -2.322 201 1HG MET 27 2HG MET 27 -4.225 -2.936 -0.566 202 2HG MET 27 1HG MET 27 -5.221 -2.090 0.617 203 1HE MET 27 1HE MET 27 -5.395 -5.341 2.288 204 2HE MET 27 2HE MET 27 -6.287 -3.844 2.553 205 3HE MET 27 3HE MET 27 -4.595 -3.779 2.065 206 H ILE 28 H ILE 28 -4.129 0.586 0.182 207 HA ILE 28 HA ILE 28 -2.039 0.569 -1.960 208 HB ILE 28 HB ILE 28 -2.418 2.468 0.376 209 1HG1 ILE 28 2HG1 ILE 28 -2.707 2.779 -2.629 210 2HG1 ILE 28 1HG1 ILE 28 -3.990 2.908 -1.425 211 1HG2 ILE 28 1HG2 ILE 28 -0.059 2.205 0.021 212 2HG2 ILE 28 2HG2 ILE 28 -0.521 3.700 -0.793 213 3HG2 ILE 28 3HG2 ILE 28 -0.255 2.231 -1.731 214 1HD1 ILE 28 1HD1 ILE 28 -2.503 4.781 -0.386 215 2HD1 ILE 28 2HD1 ILE 28 -3.441 5.154 -1.833 216 3HD1 ILE 28 3HD1 ILE 28 -1.717 4.807 -1.965 217 H VAL 29 H VAL 29 -0.223 -0.602 -1.534 218 HA VAL 29 HA VAL 29 0.453 -1.188 1.307 219 HB VAL 29 HB VAL 29 0.210 -3.233 -0.920 220 1HG1 VAL 29 1HG1 VAL 29 2.133 -3.916 0.249 221 2HG1 VAL 29 2HG1 VAL 29 0.842 -4.779 1.086 222 3HG1 VAL 29 3HG1 VAL 29 1.523 -3.312 1.790 223 1HG2 VAL 29 1HG2 VAL 29 -1.142 -4.129 1.319 224 2HG2 VAL 29 2HG2 VAL 29 -1.893 -3.341 -0.070 225 3HG2 VAL 29 3HG2 VAL 29 -1.457 -2.393 1.352 226 H GLU 30 H GLU 30 2.644 -1.099 1.688 227 HA GLU 30 HA GLU 30 4.417 -0.867 -0.711 228 1HB GLU 30 2HB GLU 30 4.012 1.256 0.680 229 2HB GLU 30 1HB GLU 30 4.939 0.461 1.953 230 1HG GLU 30 2HG GLU 30 6.276 0.247 -0.624 231 2HG GLU 30 1HG GLU 30 5.989 1.931 -0.182 232 H MET 31 H MET 31 5.117 -3.035 -0.680 233 HA MET 31 HA MET 31 6.097 -4.221 1.822 234 1HB MET 31 2HB MET 31 6.488 -6.204 0.525 235 2HB MET 31 1HB MET 31 4.958 -5.529 -0.039 236 1HG MET 31 2HG MET 31 7.052 -4.302 -1.541 237 2HG MET 31 1HG MET 31 7.329 -6.044 -1.557 238 1HE MET 31 1HE MET 31 5.194 -7.355 -1.129 239 2HE MET 31 2HE MET 31 4.905 -7.834 -2.800 240 3HE MET 31 3HE MET 31 3.617 -7.063 -1.876 241 H LYS 32 H LYS 32 8.323 -4.811 2.173 242 HA LYS 32 HA LYS 32 10.208 -2.960 0.816 243 1HB LYS 32 2HB LYS 32 10.187 -4.434 3.423 244 2HB LYS 32 1HB LYS 32 11.743 -4.001 2.713 245 1HG LYS 32 2HG LYS 32 11.261 -1.689 2.771 246 2HG LYS 32 1HG LYS 32 9.532 -1.967 2.983 247 1HD LYS 32 2HD LYS 32 10.141 -1.439 5.161 248 2HD LYS 32 1HD LYS 32 10.329 -3.193 5.192 249 1HE LYS 32 2HE LYS 32 12.592 -1.296 4.524 250 2HE LYS 32 1HE LYS 32 12.289 -1.904 6.150 251 1HZ LYS 32 1HZ LYS 32 12.246 -4.173 4.802 252 2HZ LYS 32 2HZ LYS 32 13.677 -3.519 5.443 253 3HZ LYS 32 3HZ LYS 32 13.300 -3.299 3.802 254 H LYS 33 H LYS 33 11.310 -5.948 2.259 255 HA LYS 33 HA LYS 33 12.317 -6.776 -0.419 256 1HB LYS 33 2HB LYS 33 13.721 -6.517 1.851 257 2HB LYS 33 1HB LYS 33 13.162 -8.175 2.080 258 1HG LYS 33 2HG LYS 33 13.971 -8.590 -0.332 259 2HG LYS 33 1HG LYS 33 14.837 -7.062 -0.172 260 1HD LYS 33 2HD LYS 33 16.480 -8.119 0.939 261 2HD LYS 33 1HD LYS 33 15.327 -8.576 2.193 262 1HE LYS 33 2HE LYS 33 14.629 -10.491 0.640 263 2HE LYS 33 1HE LYS 33 16.075 -10.116 -0.298 264 1HZ LYS 33 1HZ LYS 33 16.008 -11.768 1.822 265 2HZ LYS 33 2HZ LYS 33 16.519 -10.319 2.545 266 3HZ LYS 33 3HZ LYS 33 17.402 -10.986 1.255 267 H GLY 34 H GLY 34 9.851 -7.408 -0.619 268 1HA GLY 34 2HA GLY 34 8.402 -9.230 -0.964 269 2HA GLY 34 1HA GLY 34 9.716 -10.292 -0.454 270 H ASN 35 H ASN 35 8.333 -7.634 1.431 271 HA ASN 35 HA ASN 35 6.900 -9.534 3.177 272 1HB ASN 35 2HB ASN 35 9.416 -8.098 3.927 273 2HB ASN 35 1HB ASN 35 8.153 -8.255 5.150 274 1HD2 ASN 35 1HD2 ASN 35 7.116 -10.746 4.819 275 2HD2 ASN 35 2HD2 ASN 35 8.314 -11.944 4.929 276 H ILE 36 H ILE 36 4.958 -8.558 3.412 277 HA ILE 36 HA ILE 36 4.489 -5.783 2.889 278 HB ILE 36 HB ILE 36 2.696 -7.468 4.634 279 1HG1 ILE 36 2HG1 ILE 36 3.243 -8.978 2.853 280 2HG1 ILE 36 1HG1 ILE 36 1.693 -8.258 2.422 281 1HG2 ILE 36 1HG2 ILE 36 0.971 -6.235 3.227 282 2HG2 ILE 36 2HG2 ILE 36 2.304 -5.281 2.578 283 3HG2 ILE 36 3HG2 ILE 36 1.933 -5.218 4.300 284 1HD1 ILE 36 1HD1 ILE 36 3.344 -6.455 1.282 285 2HD1 ILE 36 2HD1 ILE 36 2.764 -7.885 0.431 286 3HD1 ILE 36 3HD1 ILE 36 4.364 -7.888 1.172 287 H GLU 37 H GLU 37 4.959 -4.073 4.177 288 HA GLU 37 HA GLU 37 4.972 -4.504 7.134 289 1HB GLU 37 2HB GLU 37 7.278 -4.205 5.763 290 2HB GLU 37 1HB GLU 37 6.866 -2.506 6.005 291 1HG GLU 37 2HG GLU 37 6.461 -4.127 8.412 292 2HG GLU 37 1HG GLU 37 8.137 -4.126 7.860 293 H SER 38 H SER 38 3.187 -3.207 4.930 294 HA SER 38 HA SER 38 2.175 -1.079 6.573 295 1HB SER 38 2HB SER 38 3.936 -0.337 4.235 296 2HB SER 38 1HB SER 38 2.677 0.747 4.820 297 HG SER 38 HG SER 38 5.107 0.087 5.913 298 H SER 39 H SER 39 0.119 -1.859 6.154 299 HA SER 39 HA SER 39 -0.752 -1.799 3.292 300 1HB SER 39 2HB SER 39 -2.534 -3.460 4.675 301 2HB SER 39 1HB SER 39 -1.285 -3.973 3.544 302 HG SER 39 HG SER 39 -1.168 -4.922 5.690 303 H GLU 40 H GLU 40 -1.756 0.194 3.257 304 HA GLU 40 HA GLU 40 -3.771 0.750 5.391 305 1HB GLU 40 2HB GLU 40 -1.758 2.369 4.425 306 2HB GLU 40 1HB GLU 40 -3.153 2.911 3.490 307 1HG GLU 40 2HG GLU 40 -3.961 4.006 5.279 308 2HG GLU 40 1HG GLU 40 -3.961 2.513 6.218 309 H VAL 41 H VAL 41 -5.864 1.586 4.686 310 HA VAL 41 HA VAL 41 -6.521 0.884 1.851 311 HB VAL 41 HB VAL 41 -8.461 0.552 4.140 312 1HG1 VAL 41 1HG1 VAL 41 -9.688 -0.764 2.600 313 2HG1 VAL 41 2HG1 VAL 41 -8.297 -0.963 1.534 314 3HG1 VAL 41 3HG1 VAL 41 -9.110 0.597 1.639 315 1HG2 VAL 41 1HG2 VAL 41 -7.719 -1.985 3.669 316 2HG2 VAL 41 2HG2 VAL 41 -6.929 -0.995 4.896 317 3HG2 VAL 41 3HG2 VAL 41 -6.186 -1.191 3.308 318 H ILE 42 H ILE 42 -7.509 2.528 0.759 319 HA ILE 42 HA ILE 42 -8.499 4.838 2.377 320 HB ILE 42 HB ILE 42 -7.515 4.742 -0.491 321 1HG1 ILE 42 2HG1 ILE 42 -6.301 6.146 1.902 322 2HG1 ILE 42 1HG1 ILE 42 -5.816 4.525 1.403 323 1HG2 ILE 42 1HG2 ILE 42 -8.961 6.530 -0.589 324 2HG2 ILE 42 2HG2 ILE 42 -7.574 7.354 0.123 325 3HG2 ILE 42 3HG2 ILE 42 -8.900 6.810 1.151 326 1HD1 ILE 42 1HD1 ILE 42 -4.596 5.317 -0.326 327 2HD1 ILE 42 2HD1 ILE 42 -4.764 6.905 0.423 328 3HD1 ILE 42 3HD1 ILE 42 -5.889 6.402 -0.838 329 H GLU 43 H GLU 43 -10.558 5.652 1.966 330 HA GLU 43 HA GLU 43 -12.265 3.973 0.177 331 1HB GLU 43 2HB GLU 43 -12.634 4.408 2.819 332 2HB GLU 43 1HB GLU 43 -13.510 5.795 2.172 333 1HG GLU 43 2HG GLU 43 -14.345 3.743 0.526 334 2HG GLU 43 1HG GLU 43 -14.208 2.945 2.092 335 H ASN 44 H ASN 44 -13.129 4.969 -1.595 336 HA ASN 44 HA ASN 44 -13.006 7.959 -1.678 337 1HB ASN 44 2HB ASN 44 -11.985 5.987 -3.482 338 2HB ASN 44 1HB ASN 44 -13.287 6.854 -4.299 339 1HD2 ASN 44 1HD2 ASN 44 -12.810 8.941 -5.065 340 2HD2 ASN 44 2HD2 ASN 44 -11.391 9.795 -4.694 341 HA PRO 45 HA PRO 45 -17.444 6.830 -1.892 342 1HB PRO 45 2HB PRO 45 -18.235 8.772 -0.115 343 2HB PRO 45 1HB PRO 45 -17.722 7.147 0.375 344 1HG PRO 45 2HG PRO 45 -16.250 9.729 0.606 345 2HG PRO 45 1HG PRO 45 -16.095 8.260 1.581 346 1HD PRO 45 2HD PRO 45 -14.339 9.076 -0.488 347 2HD PRO 45 1HD PRO 45 -14.382 7.473 0.277 348 H SER 46 H SER 46 -15.639 9.802 -2.248 349 HA SER 46 HA SER 46 -17.891 10.993 -3.809 350 1HB SER 46 2HB SER 46 -16.126 13.023 -3.602 351 2HB SER 46 1HB SER 46 -17.346 12.696 -2.374 352 HG SER 46 HG SER 46 -15.434 12.777 -1.301 353 H ALA 47 H ALA 47 -15.675 8.949 -4.581 354 HA ALA 47 HA ALA 47 -13.790 10.027 -6.328 355 1HB ALA 47 1HB ALA 47 -15.458 7.611 -7.054 356 2HB ALA 47 2HB ALA 47 -14.225 7.557 -5.794 357 3HB ALA 47 3HB ALA 47 -13.771 7.925 -7.458 358 H SER 48 H SER 48 -16.962 8.816 -7.482 359 HA SER 48 HA SER 48 -17.001 11.123 -9.384 360 1HB SER 48 2HB SER 48 -17.963 9.607 -11.089 361 2HB SER 48 1HB SER 48 -16.356 9.080 -10.595 362 HG SER 48 HG SER 48 -17.304 7.534 -9.284 363 H ALA 49 H ALA 49 -19.090 8.458 -8.197 364 HA ALA 49 HA ALA 49 -21.336 8.499 -7.517 365 1HB ALA 49 1HB ALA 49 -22.008 10.381 -6.153 366 2HB ALA 49 2HB ALA 49 -20.757 11.402 -6.862 367 3HB ALA 49 3HB ALA 49 -20.308 10.055 -5.816 368 H SER 50 H SER 50 -20.885 8.926 -10.274 369 HA SER 50 HA SER 50 -23.295 10.529 -10.918 370 1HB SER 50 2HB SER 50 -21.621 12.176 -11.316 371 2HB SER 50 1HB SER 50 -20.527 11.001 -12.039 372 HG SER 50 HG SER 50 -21.788 10.926 -13.829 373 H GLY 51 H GLY 51 -20.647 8.626 -12.412 374 1HA GLY 51 2HA GLY 51 -21.477 6.349 -13.267 375 2HA GLY 51 1HA GLY 51 -22.732 7.282 -14.081 376 H GLY 52 H GLY 52 -19.193 6.922 -13.881 377 1HA GLY 52 2HA GLY 52 -18.275 6.511 -16.286 378 2HA GLY 52 1HA GLY 52 -18.997 8.086 -16.620 379 H ALA 53 H ALA 53 -18.244 9.888 -15.101 380 HA ALA 53 HA ALA 53 -15.412 10.135 -15.214 381 1HB ALA 53 1HB ALA 53 -15.944 11.977 -13.381 382 2HB ALA 53 2HB ALA 53 -17.612 11.635 -13.840 383 3HB ALA 53 3HB ALA 53 -16.462 12.200 -15.052 384 H GLY 54 H GLY 54 -14.149 10.682 -13.048 385 1HA GLY 54 2HA GLY 54 -14.201 9.992 -10.575 386 2HA GLY 54 1HA GLY 54 -14.654 8.399 -11.183 387 H ILE 55 H ILE 55 -12.779 8.999 -13.562 388 HA ILE 55 HA ILE 55 -10.450 7.701 -12.397 389 HB ILE 55 HB ILE 55 -10.654 8.929 -15.156 390 1HG1 ILE 55 2HG1 ILE 55 -11.561 6.181 -14.238 391 2HG1 ILE 55 1HG1 ILE 55 -12.632 7.498 -14.713 392 1HG2 ILE 55 1HG2 ILE 55 -8.909 7.473 -15.730 393 2HG2 ILE 55 2HG2 ILE 55 -9.239 6.388 -14.379 394 3HG2 ILE 55 3HG2 ILE 55 -8.470 7.949 -14.090 395 1HD1 ILE 55 1HD1 ILE 55 -11.832 5.620 -16.455 396 2HD1 ILE 55 2HD1 ILE 55 -10.483 6.742 -16.634 397 3HD1 ILE 55 3HD1 ILE 55 -12.131 7.286 -16.948 398 H ARG 56 H ARG 56 -11.439 10.846 -12.292 399 HA ARG 56 HA ARG 56 -8.939 12.196 -12.909 400 1HB ARG 56 2HB ARG 56 -11.532 13.024 -12.543 401 2HB ARG 56 1HB ARG 56 -10.777 13.531 -11.032 402 1HG ARG 56 2HG ARG 56 -9.716 15.225 -12.066 403 2HG ARG 56 1HG ARG 56 -9.032 14.122 -13.260 404 1HD ARG 56 2HD ARG 56 -10.711 14.508 -14.786 405 2HD ARG 56 1HD ARG 56 -11.922 14.802 -13.538 406 HE ARG 56 HE ARG 56 -11.120 17.082 -13.355 407 1HH1 ARG 56 2HH1 ARG 56 -11.468 17.021 -16.269 408 2HH1 ARG 56 1HH1 ARG 56 -9.924 17.534 -16.864 409 1HH2 ARG 56 1HH2 ARG 56 -8.275 16.934 -13.872 410 2HH2 ARG 56 2HH2 ARG 56 -8.116 17.486 -15.507 411 H THR 57 H THR 57 -9.947 10.251 -10.336 412 HA THR 57 HA THR 57 -8.515 11.633 -8.205 413 HB THR 57 HB THR 57 -10.392 10.127 -7.688 414 HG1 THR 57 HG1 THR 57 -7.869 9.173 -6.812 415 1HG2 THR 57 1HG2 THR 57 -10.054 7.667 -7.966 416 2HG2 THR 57 2HG2 THR 57 -8.575 8.007 -8.866 417 3HG2 THR 57 3HG2 THR 57 -10.135 8.528 -9.503 418 H ALA 58 H ALA 58 -7.647 9.500 -10.770 419 HA ALA 58 HA ALA 58 -5.415 8.151 -9.678 420 1HB ALA 58 1HB ALA 58 -5.371 7.381 -11.790 421 2HB ALA 58 2HB ALA 58 -4.763 8.943 -12.338 422 3HB ALA 58 3HB ALA 58 -6.500 8.642 -12.284 423 H GLN 59 H GLN 59 -5.687 11.439 -10.982 424 HA GLN 59 HA GLN 59 -2.943 12.118 -11.027 425 1HB GLN 59 2HB GLN 59 -5.148 13.470 -11.675 426 2HB GLN 59 1HB GLN 59 -4.917 14.149 -10.064 427 1HG GLN 59 2HG GLN 59 -2.398 14.366 -10.918 428 2HG GLN 59 1HG GLN 59 -3.195 14.400 -12.492 429 1HE2 GLN 59 1HE2 GLN 59 -5.480 15.854 -12.098 430 2HE2 GLN 59 2HE2 GLN 59 -5.129 17.402 -11.497 431 H ILE 60 H ILE 60 -5.257 12.146 -8.329 432 HA ILE 60 HA ILE 60 -3.345 13.287 -6.458 433 HB ILE 60 HB ILE 60 -5.762 11.666 -5.669 434 1HG1 ILE 60 2HG1 ILE 60 -5.661 14.455 -6.848 435 2HG1 ILE 60 1HG1 ILE 60 -6.617 13.083 -7.410 436 1HG2 ILE 60 1HG2 ILE 60 -3.862 13.196 -4.289 437 2HG2 ILE 60 2HG2 ILE 60 -5.401 12.615 -3.655 438 3HG2 ILE 60 3HG2 ILE 60 -5.292 14.224 -4.369 439 1HD1 ILE 60 1HD1 ILE 60 -7.342 15.065 -5.480 440 2HD1 ILE 60 2HD1 ILE 60 -7.242 13.508 -4.657 441 3HD1 ILE 60 3HD1 ILE 60 -8.300 13.699 -6.054 442 H ILE 61 H ILE 61 -4.377 10.019 -7.340 443 HA ILE 61 HA ILE 61 -3.102 8.630 -5.197 444 HB ILE 61 HB ILE 61 -3.586 7.733 -8.056 445 1HG1 ILE 61 2HG1 ILE 61 -5.210 7.419 -5.508 446 2HG1 ILE 61 1HG1 ILE 61 -5.649 8.400 -6.908 447 1HG2 ILE 61 1HG2 ILE 61 -1.891 6.408 -6.706 448 2HG2 ILE 61 2HG2 ILE 61 -3.295 5.488 -7.246 449 3HG2 ILE 61 3HG2 ILE 61 -3.192 6.040 -5.574 450 1HD1 ILE 61 1HD1 ILE 61 -5.476 5.391 -6.717 451 2HD1 ILE 61 2HD1 ILE 61 -5.467 6.223 -8.272 452 3HD1 ILE 61 3HD1 ILE 61 -6.856 6.378 -7.196 453 H ALA 62 H ALA 62 -1.857 10.021 -8.166 454 HA ALA 62 HA ALA 62 0.680 8.629 -8.110 455 1HB ALA 62 1HB ALA 62 1.372 10.597 -9.621 456 2HB ALA 62 2HB ALA 62 -0.304 11.130 -9.487 457 3HB ALA 62 3HB ALA 62 0.068 9.562 -10.204 458 H ASN 63 H ASN 63 -0.514 11.664 -6.736 459 HA ASN 63 HA ASN 63 2.124 12.532 -5.853 460 1HB ASN 63 2HB ASN 63 -0.592 13.570 -5.827 461 2HB ASN 63 1HB ASN 63 0.201 13.820 -4.271 462 1HD2 ASN 63 1HD2 ASN 63 -0.319 15.452 -7.042 463 2HD2 ASN 63 2HD2 ASN 63 1.130 16.328 -7.168 464 H ASN 64 H ASN 64 0.225 10.014 -4.864 465 HA ASN 64 HA ASN 64 0.783 10.350 -1.972 466 1HB ASN 64 2HB ASN 64 -1.431 9.445 -2.892 467 2HB ASN 64 1HB ASN 64 -0.540 7.981 -3.308 468 1HD2 ASN 64 1HD2 ASN 64 -0.848 10.171 -0.443 469 2HD2 ASN 64 2HD2 ASN 64 -0.912 8.910 0.692 470 H GLY 65 H GLY 65 2.631 9.506 -4.465 471 1HA GLY 65 2HA GLY 65 4.771 8.458 -4.335 472 2HA GLY 65 1HA GLY 65 4.291 7.723 -2.805 473 H VAL 66 H VAL 66 1.683 7.068 -4.503 474 HA VAL 66 HA VAL 66 2.250 4.313 -4.908 475 HB VAL 66 HB VAL 66 0.147 6.029 -6.263 476 1HG1 VAL 66 1HG1 VAL 66 0.129 4.041 -7.484 477 2HG1 VAL 66 2HG1 VAL 66 -1.002 3.657 -6.185 478 3HG1 VAL 66 3HG1 VAL 66 0.661 3.074 -6.107 479 1HG2 VAL 66 1HG2 VAL 66 -0.375 6.236 -4.009 480 2HG2 VAL 66 2HG2 VAL 66 0.364 4.692 -3.590 481 3HG2 VAL 66 3HG2 VAL 66 -1.211 4.729 -4.382 482 H LYS 67 H LYS 67 4.180 4.101 -6.102 483 HA LYS 67 HA LYS 67 4.423 5.318 -8.751 484 1HB LYS 67 2HB LYS 67 6.102 3.653 -6.966 485 2HB LYS 67 1HB LYS 67 6.344 3.377 -8.692 486 1HG LYS 67 2HG LYS 67 6.253 6.104 -8.616 487 2HG LYS 67 1HG LYS 67 6.996 5.751 -7.055 488 1HD LYS 67 2HD LYS 67 8.951 5.387 -8.103 489 2HD LYS 67 1HD LYS 67 8.216 4.024 -8.945 490 1HE LYS 67 2HE LYS 67 8.414 5.171 -10.871 491 2HE LYS 67 1HE LYS 67 7.261 6.348 -10.240 492 1HZ LYS 67 1HZ LYS 67 8.875 7.809 -9.791 493 2HZ LYS 67 2HZ LYS 67 9.806 6.903 -10.886 494 3HZ LYS 67 3HZ LYS 67 9.946 6.626 -9.216 495 H ALA 68 H ALA 68 2.739 2.693 -7.495 496 HA ALA 68 HA ALA 68 2.549 1.496 -10.229 497 1HB ALA 68 1HB ALA 68 2.551 -0.732 -9.327 498 2HB ALA 68 2HB ALA 68 2.498 -0.125 -7.673 499 3HB ALA 68 3HB ALA 68 3.953 0.091 -8.642 500 H VAL 69 H VAL 69 0.446 1.069 -10.862 501 HA VAL 69 HA VAL 69 -1.681 1.274 -8.780 502 HB VAL 69 HB VAL 69 -1.801 2.590 -11.508 503 1HG1 VAL 69 1HG1 VAL 69 -3.635 3.623 -9.567 504 2HG1 VAL 69 2HG1 VAL 69 -3.789 1.867 -9.595 505 3HG1 VAL 69 3HG1 VAL 69 -3.999 2.793 -11.081 506 1HG2 VAL 69 1HG2 VAL 69 -1.255 3.729 -8.751 507 2HG2 VAL 69 2HG2 VAL 69 -1.689 4.715 -10.148 508 3HG2 VAL 69 3HG2 VAL 69 -0.190 3.787 -10.155 509 H ILE 70 H ILE 70 -2.638 -0.707 -8.829 510 HA ILE 70 HA ILE 70 -2.831 -2.153 -11.416 511 HB ILE 70 HB ILE 70 -3.612 -3.103 -8.645 512 1HG1 ILE 70 2HG1 ILE 70 -1.102 -3.975 -10.018 513 2HG1 ILE 70 1HG1 ILE 70 -1.104 -2.398 -9.229 514 1HG2 ILE 70 1HG2 ILE 70 -2.742 -5.168 -10.405 515 2HG2 ILE 70 2HG2 ILE 70 -3.913 -4.184 -11.282 516 3HG2 ILE 70 3HG2 ILE 70 -4.357 -4.920 -9.742 517 1HD1 ILE 70 1HD1 ILE 70 -2.246 -4.691 -7.701 518 2HD1 ILE 70 2HD1 ILE 70 -1.336 -3.296 -7.121 519 3HD1 ILE 70 3HD1 ILE 70 -0.494 -4.638 -7.895 520 H ALA 71 H ALA 71 -4.661 -1.813 -12.583 521 HA ALA 71 HA ALA 71 -7.265 -1.780 -11.175 522 1HB ALA 71 1HB ALA 71 -6.641 0.395 -13.173 523 2HB ALA 71 2HB ALA 71 -6.344 0.618 -11.450 524 3HB ALA 71 3HB ALA 71 -7.980 0.309 -12.029 525 H SER 72 H SER 72 -9.069 -1.643 -12.937 526 HA SER 72 HA SER 72 -8.169 -3.129 -15.372 527 1HB SER 72 2HB SER 72 -10.873 -3.809 -14.605 528 2HB SER 72 1HB SER 72 -9.493 -4.874 -14.852 529 HG SER 72 HG SER 72 -9.275 -4.985 -12.771 530 H SER 73 H SER 73 -8.604 -0.303 -15.184 531 HA SER 73 HA SER 73 -11.144 0.647 -15.858 532 1HB SER 73 2HB SER 73 -8.510 1.647 -15.949 533 2HB SER 73 1HB SER 73 -9.159 1.875 -17.570 534 HG SER 73 HG SER 73 -10.632 3.218 -16.804 535 HA PRO 74 HA PRO 74 -11.949 -1.330 -19.727 536 1HB PRO 74 2HB PRO 74 -14.120 0.204 -20.431 537 2HB PRO 74 1HB PRO 74 -14.185 -1.086 -19.217 538 1HG PRO 74 2HG PRO 74 -14.193 1.867 -18.816 539 2HG PRO 74 1HG PRO 74 -14.853 0.593 -17.779 540 1HD PRO 74 2HD PRO 74 -12.410 1.971 -17.371 541 2HD PRO 74 1HD PRO 74 -12.932 0.494 -16.533 542 H GLY 75 H GLY 75 -12.576 2.196 -19.980 543 1HA GLY 75 2HA GLY 75 -11.540 2.292 -22.692 544 2HA GLY 75 1HA GLY 75 -12.015 3.685 -21.720 545 HA PRO 76 HA PRO 76 -7.308 3.059 -21.804 546 1HB PRO 76 2HB PRO 76 -6.646 4.473 -24.066 547 2HB PRO 76 1HB PRO 76 -6.923 2.722 -24.052 548 1HG PRO 76 2HG PRO 76 -8.684 4.893 -25.092 549 2HG PRO 76 1HG PRO 76 -8.589 3.193 -25.583 550 1HD PRO 76 2HD PRO 76 -10.569 4.332 -23.906 551 2HD PRO 76 1HD PRO 76 -10.273 2.596 -24.147 552 H ASN 77 H ASN 77 -9.599 5.411 -21.541 553 HA ASN 77 HA ASN 77 -8.130 7.856 -21.673 554 1HB ASN 77 2HB ASN 77 -10.742 7.067 -20.970 555 2HB ASN 77 1HB ASN 77 -10.097 7.888 -19.548 556 1HD2 ASN 77 1HD2 ASN 77 -12.171 9.051 -21.191 557 2HD2 ASN 77 2HD2 ASN 77 -11.531 10.439 -21.929 558 H ALA 78 H ALA 78 -8.963 5.894 -18.787 559 HA ALA 78 HA ALA 78 -7.370 7.349 -16.952 560 1HB ALA 78 1HB ALA 78 -7.813 5.642 -15.451 561 2HB ALA 78 2HB ALA 78 -7.582 4.379 -16.660 562 3HB ALA 78 3HB ALA 78 -9.072 5.323 -16.645 563 H PHE 79 H PHE 79 -6.524 4.327 -18.684 564 HA PHE 79 HA PHE 79 -3.845 4.163 -17.808 565 1HB PHE 79 2HB PHE 79 -4.856 3.403 -20.564 566 2HB PHE 79 1HB PHE 79 -3.453 2.736 -19.729 567 HD1 PHE 79 HD1 PHE 79 -4.658 2.585 -16.942 568 HD2 PHE 79 HD2 PHE 79 -6.183 1.419 -20.788 569 HE1 PHE 79 HE1 PHE 79 -6.107 0.890 -15.854 570 HE2 PHE 79 HE2 PHE 79 -7.631 -0.277 -19.699 571 HZ PHE 79 HZ PHE 79 -7.593 -0.541 -17.233 572 H GLU 80 H GLU 80 -5.322 6.354 -20.060 573 HA GLU 80 HA GLU 80 -2.866 7.095 -21.428 574 1HB GLU 80 2HB GLU 80 -5.449 7.479 -22.040 575 2HB GLU 80 1HB GLU 80 -5.139 9.018 -21.236 576 1HG GLU 80 2HG GLU 80 -4.094 9.773 -23.078 577 2HG GLU 80 1HG GLU 80 -2.921 8.463 -22.947 578 H VAL 81 H VAL 81 -4.662 8.311 -18.624 579 HA VAL 81 HA VAL 81 -2.980 10.649 -18.272 580 HB VAL 81 HB VAL 81 -4.561 9.300 -16.080 581 1HG1 VAL 81 1HG1 VAL 81 -3.221 11.850 -16.504 582 2HG1 VAL 81 2HG1 VAL 81 -3.868 11.164 -15.014 583 3HG1 VAL 81 3HG1 VAL 81 -4.922 12.076 -16.096 584 1HG2 VAL 81 1HG2 VAL 81 -6.320 9.396 -17.541 585 2HG2 VAL 81 2HG2 VAL 81 -5.511 10.557 -18.594 586 3HG2 VAL 81 3HG2 VAL 81 -6.305 11.109 -17.119 587 H LEU 82 H LEU 82 -3.172 7.491 -16.593 588 HA LEU 82 HA LEU 82 -1.065 7.826 -14.783 589 1HB LEU 82 2HB LEU 82 -2.031 5.411 -16.314 590 2HB LEU 82 1HB LEU 82 -0.690 5.294 -15.174 591 HG LEU 82 HG LEU 82 -3.228 6.645 -14.314 592 1HD1 LEU 82 1HD1 LEU 82 -3.990 4.391 -13.470 593 2HD1 LEU 82 2HD1 LEU 82 -2.737 3.658 -14.470 594 3HD1 LEU 82 3HD1 LEU 82 -4.051 4.561 -15.223 595 1HD2 LEU 82 1HD2 LEU 82 -2.496 5.916 -12.128 596 2HD2 LEU 82 2HD2 LEU 82 -1.102 6.623 -12.945 597 3HD2 LEU 82 3HD2 LEU 82 -1.264 4.870 -12.835 598 H ASN 83 H ASN 83 -0.824 6.608 -18.143 599 HA ASN 83 HA ASN 83 2.040 6.436 -18.135 600 1HB ASN 83 2HB ASN 83 0.000 6.690 -20.355 601 2HB ASN 83 1HB ASN 83 1.730 6.559 -20.677 602 1HD2 ASN 83 1HD2 ASN 83 2.817 4.586 -19.529 603 2HD2 ASN 83 2HD2 ASN 83 1.914 3.149 -19.474 604 H GLU 84 H GLU 84 -0.215 9.056 -18.837 605 HA GLU 84 HA GLU 84 1.575 10.865 -20.090 606 1HB GLU 84 2HB GLU 84 -1.064 10.950 -19.000 607 2HB GLU 84 1HB GLU 84 -0.167 12.322 -18.348 608 1HG GLU 84 2HG GLU 84 0.517 12.964 -20.632 609 2HG GLU 84 1HG GLU 84 -0.384 11.595 -21.285 610 H LEU 85 H LEU 85 1.065 10.101 -16.675 611 HA LEU 85 HA LEU 85 2.881 12.227 -15.789 612 1HB LEU 85 2HB LEU 85 0.888 10.661 -14.574 613 2HB LEU 85 1HB LEU 85 2.398 10.149 -13.821 614 HG LEU 85 HG LEU 85 2.446 13.000 -14.084 615 1HD1 LEU 85 1HD1 LEU 85 -0.172 12.205 -13.953 616 2HD1 LEU 85 2HD1 LEU 85 0.429 13.741 -13.328 617 3HD1 LEU 85 3HD1 LEU 85 0.225 12.366 -12.243 618 1HD2 LEU 85 1HD2 LEU 85 3.558 11.388 -12.406 619 2HD2 LEU 85 2HD2 LEU 85 2.015 11.405 -11.552 620 3HD2 LEU 85 3HD2 LEU 85 2.926 12.901 -11.757 621 H GLY 86 H GLY 86 2.996 8.718 -16.278 622 1HA GLY 86 2HA GLY 86 5.147 7.750 -17.029 623 2HA GLY 86 1HA GLY 86 5.964 8.890 -15.959 624 H ILE 87 H ILE 87 3.069 7.373 -14.803 625 HA ILE 87 HA ILE 87 4.653 6.004 -12.726 626 HB ILE 87 HB ILE 87 1.695 6.491 -13.127 627 1HG1 ILE 87 2HG1 ILE 87 3.108 7.194 -10.623 628 2HG1 ILE 87 1HG1 ILE 87 3.650 8.071 -12.055 629 1HG2 ILE 87 1HG2 ILE 87 2.048 4.216 -12.181 630 2HG2 ILE 87 2HG2 ILE 87 1.310 5.312 -11.014 631 3HG2 ILE 87 3HG2 ILE 87 3.026 4.923 -10.895 632 1HD1 ILE 87 1HD1 ILE 87 1.869 9.376 -11.173 633 2HD1 ILE 87 2HD1 ILE 87 0.867 7.953 -10.888 634 3HD1 ILE 87 3HD1 ILE 87 1.166 8.503 -12.536 635 H LYS 88 H LYS 88 4.202 3.702 -12.221 636 HA LYS 88 HA LYS 88 4.064 2.125 -14.702 637 1HB LYS 88 2HB LYS 88 4.255 0.885 -11.978 638 2HB LYS 88 1HB LYS 88 5.024 0.390 -13.486 639 1HG LYS 88 2HG LYS 88 6.311 2.639 -13.316 640 2HG LYS 88 1HG LYS 88 5.803 2.629 -11.627 641 1HD LYS 88 2HD LYS 88 6.716 0.042 -12.019 642 2HD LYS 88 1HD LYS 88 7.848 1.012 -12.962 643 1HE LYS 88 2HE LYS 88 8.748 1.983 -11.112 644 2HE LYS 88 1HE LYS 88 7.182 2.138 -10.316 645 1HZ LYS 88 1HZ LYS 88 8.381 -0.525 -10.649 646 2HZ LYS 88 2HZ LYS 88 7.301 0.029 -9.460 647 3HZ LYS 88 3HZ LYS 88 8.937 0.485 -9.405 648 H ILE 89 H ILE 89 2.075 1.573 -15.445 649 HA ILE 89 HA ILE 89 -0.187 1.305 -13.564 650 HB ILE 89 HB ILE 89 -0.158 0.872 -16.566 651 1HG1 ILE 89 2HG1 ILE 89 -0.756 3.397 -14.988 652 2HG1 ILE 89 1HG1 ILE 89 0.678 3.131 -15.980 653 1HG2 ILE 89 1HG2 ILE 89 -2.601 1.623 -16.175 654 2HG2 ILE 89 2HG2 ILE 89 -2.293 1.277 -14.472 655 3HG2 ILE 89 3HG2 ILE 89 -2.163 -0.010 -15.672 656 1HD1 ILE 89 1HD1 ILE 89 -2.161 3.558 -16.832 657 2HD1 ILE 89 2HD1 ILE 89 -1.118 2.560 -17.844 658 3HD1 ILE 89 3HD1 ILE 89 -0.678 4.234 -17.505 659 H TYR 90 H TYR 90 -1.552 -0.705 -13.685 660 HA TYR 90 HA TYR 90 -0.036 -3.103 -14.579 661 1HB TYR 90 2HB TYR 90 -0.702 -2.359 -11.799 662 2HB TYR 90 1HB TYR 90 -1.124 -4.013 -12.243 663 HD1 TYR 90 HD1 TYR 90 1.585 -1.676 -11.566 664 HD2 TYR 90 HD2 TYR 90 0.631 -5.547 -13.170 665 HE1 TYR 90 HE1 TYR 90 3.972 -2.334 -11.401 666 HE2 TYR 90 HE2 TYR 90 3.017 -6.205 -13.005 667 HH TYR 90 HH TYR 90 5.031 -5.466 -11.557 668 H ARG 91 H ARG 91 -1.350 -4.680 -15.424 669 HA ARG 91 HA ARG 91 -4.207 -4.014 -15.706 670 1HB ARG 91 2HB ARG 91 -2.521 -6.249 -16.875 671 2HB ARG 91 1HB ARG 91 -4.219 -5.967 -17.263 672 1HG ARG 91 2HG ARG 91 -2.270 -3.701 -17.535 673 2HG ARG 91 1HG ARG 91 -2.327 -4.937 -18.791 674 1HD ARG 91 2HD ARG 91 -4.606 -3.183 -17.844 675 2HD ARG 91 1HD ARG 91 -3.860 -3.199 -19.443 676 HE ARG 91 HE ARG 91 -4.782 -5.788 -19.131 677 1HH1 ARG 91 2HH1 ARG 91 -6.038 -2.583 -19.183 678 2HH1 ARG 91 1HH1 ARG 91 -7.666 -3.082 -19.503 679 1HH2 ARG 91 1HH2 ARG 91 -6.931 -6.469 -19.402 680 2HH2 ARG 91 2HH2 ARG 91 -8.172 -5.282 -19.627 681 H ALA 92 H ALA 92 -5.656 -4.779 -14.256 682 HA ALA 92 HA ALA 92 -4.921 -7.153 -12.622 683 1HB ALA 92 1HB ALA 92 -5.861 -4.853 -11.720 684 2HB ALA 92 2HB ALA 92 -6.397 -6.371 -11.000 685 3HB ALA 92 3HB ALA 92 -7.416 -5.546 -12.180 686 H THR 93 H THR 93 -5.528 -9.021 -13.635 687 HA THR 93 HA THR 93 -7.518 -9.314 -15.607 688 HB THR 93 HB THR 93 -5.854 -11.062 -15.101 689 HG1 THR 93 HG1 THR 93 -7.204 -12.574 -15.699 690 1HG2 THR 93 1HG2 THR 93 -7.478 -11.860 -12.702 691 2HG2 THR 93 2HG2 THR 93 -6.212 -10.643 -12.539 692 3HG2 THR 93 3HG2 THR 93 -5.807 -12.266 -13.099 693 H GLY 94 H GLY 94 -7.809 -9.785 -12.075 694 1HA GLY 94 2HA GLY 94 -9.968 -8.796 -11.141 695 2HA GLY 94 1HA GLY 94 -10.777 -9.680 -12.436 696 H THR 95 H THR 95 -8.907 -10.075 -9.454 697 HA THR 95 HA THR 95 -10.238 -12.718 -9.105 698 HB THR 95 HB THR 95 -7.282 -12.125 -8.812 699 HG1 THR 95 HG1 THR 95 -8.057 -12.808 -10.851 700 1HG2 THR 95 1HG2 THR 95 -8.913 -13.806 -7.181 701 2HG2 THR 95 2HG2 THR 95 -7.158 -13.647 -7.165 702 3HG2 THR 95 3HG2 THR 95 -7.926 -14.844 -8.209 703 H SER 96 H SER 96 -7.700 -11.522 -7.008 704 HA SER 96 HA SER 96 -9.625 -10.290 -5.146 705 1HB SER 96 2HB SER 96 -8.949 -13.032 -4.903 706 2HB SER 96 1HB SER 96 -8.067 -12.188 -3.634 707 HG SER 96 HG SER 96 -9.951 -12.309 -2.675 708 H VAL 97 H VAL 97 -8.609 -8.635 -4.098 709 HA VAL 97 HA VAL 97 -5.997 -7.800 -4.691 710 HB VAL 97 HB VAL 97 -6.173 -6.412 -2.603 711 1HG1 VAL 97 1HG1 VAL 97 -7.344 -5.976 -4.904 712 2HG1 VAL 97 2HG1 VAL 97 -7.817 -5.009 -3.508 713 3HG1 VAL 97 3HG1 VAL 97 -8.824 -6.361 -4.026 714 1HG2 VAL 97 1HG2 VAL 97 -8.913 -7.631 -2.267 715 2HG2 VAL 97 2HG2 VAL 97 -7.993 -6.655 -1.121 716 3HG2 VAL 97 3HG2 VAL 97 -7.513 -8.320 -1.445 717 H GLU 98 H GLU 98 -7.037 -10.282 -2.513 718 HA GLU 98 HA GLU 98 -4.751 -10.305 -0.768 719 1HB GLU 98 2HB GLU 98 -6.867 -12.301 -1.522 720 2HB GLU 98 1HB GLU 98 -5.467 -12.832 -0.590 721 1HG GLU 98 2HG GLU 98 -6.395 -10.389 0.556 722 2HG GLU 98 1HG GLU 98 -7.790 -11.448 0.345 723 H GLU 99 H GLU 99 -5.531 -12.438 -3.544 724 HA GLU 99 HA GLU 99 -2.908 -13.599 -3.652 725 1HB GLU 99 2HB GLU 99 -4.944 -13.333 -5.886 726 2HB GLU 99 1HB GLU 99 -3.602 -14.476 -5.827 727 1HG GLU 99 2HG GLU 99 -5.652 -14.404 -3.621 728 2HG GLU 99 1HG GLU 99 -5.955 -15.313 -5.102 729 H ASN 100 H ASN 100 -4.303 -10.689 -5.029 730 HA ASN 100 HA ASN 100 -2.344 -10.177 -7.034 731 1HB ASN 100 2HB ASN 100 -3.884 -8.188 -5.335 732 2HB ASN 100 1HB ASN 100 -3.054 -7.819 -6.848 733 1HD2 ASN 100 1HD2 ASN 100 -3.760 -9.673 -8.638 734 2HD2 ASN 100 2HD2 ASN 100 -5.443 -9.847 -8.777 735 H LEU 101 H LEU 101 -2.459 -9.216 -3.594 736 HA LEU 101 HA LEU 101 -0.026 -7.750 -3.559 737 1HB LEU 101 2HB LEU 101 -1.928 -8.527 -1.671 738 2HB LEU 101 1HB LEU 101 -0.449 -9.323 -1.134 739 HG LEU 101 HG LEU 101 -0.546 -7.108 -0.135 740 1HD1 LEU 101 1HD1 LEU 101 1.405 -6.470 -2.243 741 2HD1 LEU 101 2HD1 LEU 101 1.578 -8.097 -1.585 742 3HD1 LEU 101 3HD1 LEU 101 1.655 -6.700 -0.511 743 1HD2 LEU 101 1HD2 LEU 101 -1.278 -5.259 -1.234 744 2HD2 LEU 101 2HD2 LEU 101 -1.880 -6.395 -2.441 745 3HD2 LEU 101 3HD2 LEU 101 -0.311 -5.621 -2.664 746 H LYS 102 H LYS 102 -0.663 -11.223 -3.280 747 HA LYS 102 HA LYS 102 2.094 -11.907 -2.679 748 1HB LYS 102 2HB LYS 102 -0.427 -13.287 -2.952 749 2HB LYS 102 1HB LYS 102 0.815 -14.126 -3.883 750 1HG LYS 102 2HG LYS 102 1.231 -15.083 -1.832 751 2HG LYS 102 1HG LYS 102 2.235 -13.643 -1.655 752 1HD LYS 102 2HD LYS 102 0.801 -13.942 0.324 753 2HD LYS 102 1HD LYS 102 0.353 -12.476 -0.550 754 1HE LYS 102 2HE LYS 102 -1.584 -13.469 -1.462 755 2HE LYS 102 1HE LYS 102 -1.019 -15.101 -1.112 756 1HZ LYS 102 1HZ LYS 102 -2.544 -14.713 0.555 757 2HZ LYS 102 2HZ LYS 102 -2.107 -13.081 0.736 758 3HZ LYS 102 3HZ LYS 102 -1.085 -14.307 1.317 759 H LEU 103 H LEU 103 0.304 -11.208 -5.563 760 HA LEU 103 HA LEU 103 2.120 -12.575 -7.387 761 1HB LEU 103 2HB LEU 103 -0.337 -11.034 -7.568 762 2HB LEU 103 1HB LEU 103 0.820 -10.524 -8.797 763 HG LEU 103 HG LEU 103 -0.706 -12.447 -9.470 764 1HD1 LEU 103 1HD1 LEU 103 1.567 -11.901 -10.482 765 2HD1 LEU 103 2HD1 LEU 103 1.035 -13.572 -10.671 766 3HD1 LEU 103 3HD1 LEU 103 2.235 -13.161 -9.445 767 1HD2 LEU 103 1HD2 LEU 103 -0.396 -13.494 -7.107 768 2HD2 LEU 103 2HD2 LEU 103 1.114 -14.134 -7.756 769 3HD2 LEU 103 3HD2 LEU 103 -0.424 -14.577 -8.499 770 H PHE 104 H PHE 104 1.766 -9.276 -6.133 771 HA PHE 104 HA PHE 104 3.814 -8.130 -7.818 772 1HB PHE 104 2HB PHE 104 1.925 -7.130 -6.071 773 2HB PHE 104 1HB PHE 104 3.429 -6.872 -5.187 774 HD1 PHE 104 HD1 PHE 104 1.337 -5.741 -7.894 775 HD2 PHE 104 HD2 PHE 104 5.365 -5.709 -6.396 776 HE1 PHE 104 HE1 PHE 104 1.861 -3.800 -9.347 777 HE2 PHE 104 HE2 PHE 104 5.890 -3.767 -7.849 778 HZ PHE 104 HZ PHE 104 4.138 -2.813 -9.325 779 H THR 105 H THR 105 3.996 -10.349 -5.302 780 HA THR 105 HA THR 105 6.421 -9.411 -4.015 781 HB THR 105 HB THR 105 5.306 -12.228 -4.143 782 HG1 THR 105 HG1 THR 105 4.063 -10.258 -3.250 783 1HG2 THR 105 1HG2 THR 105 6.601 -12.605 -2.137 784 2HG2 THR 105 2HG2 THR 105 7.079 -10.909 -2.074 785 3HG2 THR 105 3HG2 THR 105 7.681 -11.947 -3.366 786 H GLU 106 H GLU 106 5.711 -11.658 -6.673 787 HA GLU 106 HA GLU 106 8.613 -12.134 -7.050 788 1HB GLU 106 2HB GLU 106 6.418 -13.227 -8.805 789 2HB GLU 106 1HB GLU 106 8.005 -13.919 -8.467 790 1HG GLU 106 2HG GLU 106 5.735 -13.645 -6.474 791 2HG GLU 106 1HG GLU 106 6.256 -15.144 -7.244 792 H GLY 107 H GLY 107 5.829 -10.736 -8.772 793 1HA GLY 107 2HA GLY 107 6.216 -8.660 -10.069 794 2HA GLY 107 1HA GLY 107 7.791 -9.312 -10.524 795 H ASN 108 H ASN 108 4.999 -11.397 -10.451 796 HA ASN 108 HA ASN 108 5.344 -11.985 -13.294 797 1HB ASN 108 2HB ASN 108 4.474 -13.458 -11.159 798 2HB ASN 108 1HB ASN 108 2.943 -13.026 -11.922 799 1HD2 ASN 108 1HD2 ASN 108 6.162 -14.433 -12.708 800 2HD2 ASN 108 2HD2 ASN 108 5.596 -15.394 -13.987 801 H LEU 109 H LEU 109 3.336 -9.925 -11.365 802 HA LEU 109 HA LEU 109 1.058 -9.691 -13.051 803 1HB LEU 109 2HB LEU 109 2.234 -8.220 -10.832 804 2HB LEU 109 1HB LEU 109 1.529 -7.128 -12.023 805 HG LEU 109 HG LEU 109 0.147 -9.444 -10.642 806 1HD1 LEU 109 1HD1 LEU 109 0.210 -6.499 -10.322 807 2HD1 LEU 109 2HD1 LEU 109 -0.160 -7.753 -9.138 808 3HD1 LEU 109 3HD1 LEU 109 -1.395 -7.230 -10.284 809 1HD2 LEU 109 1HD2 LEU 109 -1.216 -9.545 -12.434 810 2HD2 LEU 109 2HD2 LEU 109 -0.332 -8.237 -13.220 811 3HD2 LEU 109 3HD2 LEU 109 -1.673 -7.868 -12.136 812 H GLU 110 H GLU 110 0.634 -8.337 -14.830 813 HA GLU 110 HA GLU 110 3.057 -7.389 -16.256 814 1HB GLU 110 2HB GLU 110 1.255 -6.990 -18.108 815 2HB GLU 110 1HB GLU 110 1.739 -8.644 -17.734 816 1HG GLU 110 2HG GLU 110 -0.221 -9.057 -16.475 817 2HG GLU 110 1HG GLU 110 -0.593 -7.338 -16.334 818 H GLU 111 H GLU 111 3.301 -5.213 -16.901 819 HA GLU 111 HA GLU 111 1.231 -3.297 -15.946 820 1HB GLU 111 2HB GLU 111 3.389 -1.883 -15.266 821 2HB GLU 111 1HB GLU 111 2.648 -3.021 -14.140 822 1HG GLU 111 2HG GLU 111 4.322 -4.606 -14.423 823 2HG GLU 111 1HG GLU 111 4.737 -4.030 -16.039 824 H ILE 112 H ILE 112 2.142 -0.951 -16.669 825 HA ILE 112 HA ILE 112 3.332 -1.184 -19.389 826 HB ILE 112 HB ILE 112 0.833 0.411 -18.735 827 1HG1 ILE 112 2HG1 ILE 112 0.318 -1.468 -20.756 828 2HG1 ILE 112 1HG1 ILE 112 1.238 -2.355 -19.538 829 1HG2 ILE 112 1HG2 ILE 112 2.694 0.982 -20.629 830 2HG2 ILE 112 2HG2 ILE 112 0.973 1.312 -20.832 831 3HG2 ILE 112 3HG2 ILE 112 1.678 -0.149 -21.524 832 1HD1 ILE 112 1HD1 ILE 112 -0.617 -0.720 -18.141 833 2HD1 ILE 112 2HD1 ILE 112 -0.614 -2.480 -18.268 834 3HD1 ILE 112 3HD1 ILE 112 -1.509 -1.512 -19.441 835 H ARG 113 H ARG 113 4.802 0.437 -19.781 836 HA ARG 113 HA ARG 113 4.744 2.813 -17.972 837 1HB ARG 113 2HB ARG 113 7.146 2.711 -17.708 838 2HB ARG 113 1HB ARG 113 6.491 1.132 -17.277 839 1HG ARG 113 2HG ARG 113 7.096 0.217 -19.428 840 2HG ARG 113 1HG ARG 113 7.556 1.810 -20.030 841 1HD ARG 113 2HD ARG 113 9.489 0.332 -19.284 842 2HD ARG 113 1HD ARG 113 9.430 1.930 -18.540 843 HE ARG 113 HE ARG 113 8.253 0.700 -16.590 844 1HH1 ARG 113 2HH1 ARG 113 8.840 -1.841 -18.430 845 2HH1 ARG 113 1HH1 ARG 113 10.080 -2.575 -17.470 846 1HH2 ARG 113 1HH2 ARG 113 10.568 0.223 -15.480 847 2HH2 ARG 113 2HH2 ARG 113 11.057 -1.408 -15.800 848 H SER 114 H SER 114 6.443 4.488 -18.941 849 HA SER 114 HA SER 114 6.923 4.475 -21.768 850 1HB SER 114 2HB SER 114 5.221 6.409 -22.190 851 2HB SER 114 1HB SER 114 4.631 4.749 -22.203 852 HG SER 114 HG SER 114 4.052 6.799 -20.514 853 HA PRO 115 HA PRO 115 9.418 7.817 -20.387 854 1HB PRO 115 2HB PRO 115 10.054 8.889 -22.837 855 2HB PRO 115 1HB PRO 115 10.760 7.388 -22.211 856 1HG PRO 115 2HG PRO 115 8.686 7.750 -24.326 857 2HG PRO 115 1HG PRO 115 9.846 6.429 -24.105 858 1HD PRO 115 2HD PRO 115 7.102 6.355 -23.416 859 2HD PRO 115 1HD PRO 115 8.339 5.187 -22.904 860 H GLY 116 H GLY 116 6.534 8.332 -22.237 861 1HA GLY 116 2HA GLY 116 5.244 10.320 -21.142 862 2HA GLY 116 1HA GLY 116 6.628 11.264 -21.697 863 H SER 117 H SER 117 3.544 10.432 -22.521 864 HA SER 117 HA SER 117 3.971 11.296 -25.302 865 1HB SER 117 2HB SER 117 4.123 8.666 -25.036 866 2HB SER 117 1HB SER 117 2.368 8.785 -24.950 867 HG SER 117 HG SER 117 2.684 8.699 -27.069 868 H GLY 118 H GLY 118 2.352 12.711 -25.748 869 1HA GLY 118 2HA GLY 118 -0.405 12.170 -24.974 870 2HA GLY 118 1HA GLY 118 0.314 13.494 -24.057 871 H ARG 119 H ARG 119 -0.536 12.420 -27.318 872 HA ARG 119 HA ARG 119 -0.104 15.190 -28.319 873 1HB ARG 119 2HB ARG 119 0.329 12.645 -29.454 874 2HB ARG 119 1HB ARG 119 -1.053 13.322 -30.316 875 1HG ARG 119 2HG ARG 119 1.232 15.160 -29.818 876 2HG ARG 119 1HG ARG 119 1.490 13.882 -31.006 877 1HD ARG 119 2HD ARG 119 -1.080 15.374 -31.182 878 2HD ARG 119 1HD ARG 119 0.379 16.244 -31.657 879 HE ARG 119 HE ARG 119 -0.054 13.562 -32.844 880 1HH1 ARG 119 1HH2 ARG 119 -1.954 15.796 -33.793 881 2HH1 ARG 119 2HH2 ARG 119 -1.116 16.344 -35.206 882 1HH2 ARG 119 2HH1 ARG 119 1.866 14.784 -34.368 883 2HH2 ARG 119 1HH1 ARG 119 1.046 15.772 -35.532 884 H GLY 120 H GLY 120 -1.844 16.475 -28.881 885 1HA GLY 120 2HA GLY 120 -4.465 15.379 -29.467 886 2HA GLY 120 1HA GLY 120 -4.400 16.088 -27.852 887 H ARG 121 H ARG 121 -5.253 16.804 -30.931 888 HA ARG 121 HA ARG 121 -4.667 19.709 -30.519 889 1HB ARG 121 2HB ARG 121 -4.888 18.367 -33.223 890 2HB ARG 121 1HB ARG 121 -4.324 20.001 -32.872 891 1HG ARG 121 2HG ARG 121 -2.464 18.922 -31.498 892 2HG ARG 121 1HG ARG 121 -2.946 17.388 -32.224 893 1HD ARG 121 2HD ARG 121 -2.161 17.966 -34.303 894 2HD ARG 121 1HD ARG 121 -2.532 19.676 -34.082 895 HE ARG 121 HE ARG 121 -0.181 18.367 -32.772 896 1HH1 ARG 121 1HH2 ARG 121 0.141 19.752 -35.455 897 2HH1 ARG 121 2HH2 ARG 121 0.678 21.324 -34.965 898 1HH2 ARG 121 2HH1 ARG 121 -0.311 20.924 -31.665 899 2HH2 ARG 121 1HH1 ARG 121 0.421 21.988 -32.819 900 H ARG 122 H ARG 122 -6.248 20.910 -32.276 901 HA ARG 122 HA ARG 122 -8.930 19.628 -32.134 902 1HB ARG 122 2HB ARG 122 -8.039 21.871 -30.544 903 2HB ARG 122 1HB ARG 122 -9.343 22.373 -31.620 904 1HG ARG 122 2HG ARG 122 -9.712 19.761 -30.256 905 2HG ARG 122 1HG ARG 122 -9.786 21.191 -29.226 906 1HD ARG 122 2HD ARG 122 -11.314 21.098 -31.819 907 2HD ARG 122 1HD ARG 122 -11.983 20.369 -30.358 908 HE ARG 122 HE ARG 122 -11.062 23.114 -29.964 909 1HH1 ARG 122 1HH2 ARG 122 -13.130 22.988 -32.233 910 2HH1 ARG 122 2HH2 ARG 122 -14.593 23.273 -31.351 911 1HH2 ARG 122 2HH1 ARG 122 -13.163 22.638 -28.256 912 2HH2 ARG 122 1HH1 ARG 122 -14.612 23.073 -29.099 913 H ARG 123 H ARG 123 -6.720 20.685 -34.151 914 HA ARG 123 HA ARG 123 -8.678 21.458 -36.181 915 1HB ARG 123 2HB ARG 123 -7.298 23.590 -36.704 916 2HB ARG 123 1HB ARG 123 -8.437 23.661 -35.359 917 1HG ARG 123 2HG ARG 123 -6.765 23.649 -33.760 918 2HG ARG 123 1HG ARG 123 -5.642 22.762 -34.791 919 1HD ARG 123 2HD ARG 123 -4.862 25.059 -34.579 920 2HD ARG 123 1HD ARG 123 -5.427 24.799 -36.228 921 HE ARG 123 HE ARG 123 -7.668 25.793 -35.042 922 1HH1 ARG 123 2HH1 ARG 123 -4.822 26.702 -33.609 923 2HH1 ARG 123 1HH1 ARG 123 -4.943 28.389 -33.980 924 1HH2 ARG 123 1HH2 ARG 123 -7.642 27.994 -36.121 925 2HH2 ARG 123 2HH2 ARG 123 -6.541 29.121 -35.402 926 H ARG 124 HN ARG 124 -7.073 22.372 -38.164 927 HA ARG 124 HA ARG 124 -4.490 21.374 -38.495 928 1HB ARG 124 2HB ARG 124 -5.048 19.210 -39.772 929 2HB ARG 124 1HB ARG 124 -5.144 19.141 -38.013 930 1HG ARG 124 2HG ARG 124 -7.679 20.012 -38.789 931 2HG ARG 124 1HG ARG 124 -7.259 18.791 -39.990 932 1HD ARG 124 2HD ARG 124 -6.452 17.866 -37.389 933 2HD ARG 124 1HD ARG 124 -8.143 18.360 -37.330 934 HE ARG 124 HE ARG 124 -8.660 16.662 -38.957 935 1HH1 ARG 124 1HH1 ARG 124 -5.453 17.245 -39.563 936 2HH1 ARG 124 2HH1 ARG 124 -4.965 15.585 -39.651 937 1HH2 ARG 124 1HH2 ARG 124 -7.984 14.359 -38.464 938 2HH2 ARG 124 2HH2 ARG 124 -6.399 13.951 -39.031 Start of MODEL 18 1 1H MET 1 1H MET 1 9.205 3.335 -4.396 2 2H MET 1 2H MET 1 7.655 3.494 -3.717 3 3H MET 1 3H MET 1 7.957 4.051 -5.294 4 HA MET 1 HA MET 1 7.501 2.083 -6.169 5 1HB MET 1 2HB MET 1 9.798 1.402 -5.709 6 2HB MET 1 1HB MET 1 9.375 1.001 -4.043 7 1HG MET 1 2HG MET 1 9.016 -1.096 -4.827 8 2HG MET 1 1HG MET 1 7.517 -0.441 -5.489 9 1HE MET 1 1HE MET 1 9.486 -2.907 -8.003 10 2HE MET 1 2HE MET 1 8.554 -2.882 -6.509 11 3HE MET 1 3HE MET 1 10.303 -2.675 -6.451 12 H LYS 2 H LYS 2 5.443 2.886 -4.829 13 HA LYS 2 HA LYS 2 4.715 0.813 -2.814 14 1HB LYS 2 2HB LYS 2 3.646 3.559 -3.458 15 2HB LYS 2 1HB LYS 2 2.687 2.410 -2.524 16 1HG LYS 2 2HG LYS 2 4.178 2.407 -0.736 17 2HG LYS 2 1HG LYS 2 5.540 2.907 -1.740 18 1HD LYS 2 2HD LYS 2 4.117 5.099 -2.069 19 2HD LYS 2 1HD LYS 2 3.333 4.577 -0.576 20 1HE LYS 2 2HE LYS 2 5.122 5.939 0.161 21 2HE LYS 2 1HE LYS 2 5.726 4.293 0.357 22 1HZ LYS 2 1HZ LYS 2 7.445 5.300 -0.753 23 2HZ LYS 2 2HZ LYS 2 6.427 6.302 -1.673 24 3HZ LYS 2 3HZ LYS 2 6.567 4.651 -2.052 25 H ILE 3 H ILE 3 2.848 -0.467 -3.117 26 HA ILE 3 HA ILE 3 1.792 -0.440 -5.915 27 HB ILE 3 HB ILE 3 1.993 -2.740 -3.948 28 1HG1 ILE 3 2HG1 ILE 3 3.371 -2.846 -6.556 29 2HG1 ILE 3 1HG1 ILE 3 4.003 -1.627 -5.449 30 1HG2 ILE 3 1HG2 ILE 3 0.800 -2.447 -6.700 31 2HG2 ILE 3 2HG2 ILE 3 0.113 -3.226 -5.275 32 3HG2 ILE 3 3HG2 ILE 3 1.426 -4.004 -6.158 33 1HD1 ILE 3 1HD1 ILE 3 3.512 -4.495 -4.621 34 2HD1 ILE 3 2HD1 ILE 3 4.414 -3.260 -3.744 35 3HD1 ILE 3 3HD1 ILE 3 5.064 -3.929 -5.240 36 H ALA 4 H ALA 4 -0.361 -0.111 -6.172 37 HA ALA 4 HA ALA 4 -2.112 -0.359 -3.760 38 1HB ALA 4 1HB ALA 4 -1.964 1.826 -5.836 39 2HB ALA 4 2HB ALA 4 -1.963 1.979 -4.080 40 3HB ALA 4 3HB ALA 4 -3.447 1.540 -4.925 41 H ILE 5 H ILE 5 -4.203 -1.215 -4.183 42 HA ILE 5 HA ILE 5 -4.684 -2.102 -6.995 43 HB ILE 5 HB ILE 5 -5.403 -3.851 -4.653 44 1HG1 ILE 5 2HG1 ILE 5 -3.134 -5.014 -5.537 45 2HG1 ILE 5 1HG1 ILE 5 -2.710 -3.324 -5.816 46 1HG2 ILE 5 1HG2 ILE 5 -6.231 -4.160 -7.074 47 2HG2 ILE 5 2HG2 ILE 5 -5.495 -5.561 -6.296 48 3HG2 ILE 5 3HG2 ILE 5 -4.568 -4.609 -7.456 49 1HD1 ILE 5 1HD1 ILE 5 -2.549 -2.878 -3.597 50 2HD1 ILE 5 2HD1 ILE 5 -2.448 -4.627 -3.405 51 3HD1 ILE 5 3HD1 ILE 5 -3.997 -3.807 -3.214 52 H ALA 6 H ALA 6 -6.686 -1.543 -7.682 53 HA ALA 6 HA ALA 6 -8.523 -0.114 -6.019 54 1HB ALA 6 1HB ALA 6 -9.716 -1.441 -8.353 55 2HB ALA 6 2HB ALA 6 -8.245 -0.542 -8.732 56 3HB ALA 6 3HB ALA 6 -9.609 0.278 -7.972 57 H SER 7 H SER 7 -10.528 -0.800 -5.121 58 HA SER 7 HA SER 7 -11.115 -3.709 -5.183 59 1HB SER 7 2HB SER 7 -10.133 -2.179 -2.853 60 2HB SER 7 1HB SER 7 -11.553 -3.171 -2.541 61 HG SER 7 HG SER 7 -9.016 -3.944 -3.530 62 H SER 8 H SER 8 -13.303 -4.142 -4.183 63 HA SER 8 HA SER 8 -15.115 -1.858 -4.796 64 1HB SER 8 2HB SER 8 -15.193 -4.634 -5.414 65 2HB SER 8 1HB SER 8 -16.527 -4.310 -4.311 66 HG SER 8 HG SER 8 -16.675 -2.330 -5.860 67 H GLY 9 H GLY 9 -13.724 -3.403 -2.162 68 1HA GLY 9 2HA GLY 9 -15.717 -2.170 -0.354 69 2HA GLY 9 1HA GLY 9 -15.435 -3.901 -0.162 70 H THR 10 H THR 10 -14.439 -3.765 1.879 71 HA THR 10 HA THR 10 -11.709 -2.566 1.831 72 HB THR 10 HB THR 10 -13.702 -2.333 4.107 73 HG1 THR 10 HG1 THR 10 -12.990 -0.004 3.475 74 1HG2 THR 10 1HG2 THR 10 -10.770 -1.837 3.853 75 2HG2 THR 10 2HG2 THR 10 -11.698 -2.403 5.243 76 3HG2 THR 10 3HG2 THR 10 -11.715 -0.694 4.807 77 H ASP 11 H ASP 11 -13.073 -5.355 1.743 78 HA ASP 11 HA ASP 11 -11.216 -6.569 3.722 79 1HB ASP 11 2HB ASP 11 -14.054 -6.499 4.016 80 2HB ASP 11 1HB ASP 11 -13.598 -8.158 3.629 81 H LEU 12 H LEU 12 -11.581 -9.190 3.292 82 HA LEU 12 HA LEU 12 -10.525 -9.607 0.651 83 1HB LEU 12 2HB LEU 12 -10.754 -11.111 3.017 84 2HB LEU 12 1HB LEU 12 -11.661 -12.015 1.805 85 HG LEU 12 HG LEU 12 -9.280 -11.075 0.556 86 1HD1 LEU 12 1HD1 LEU 12 -7.763 -12.561 2.144 87 2HD1 LEU 12 2HD1 LEU 12 -8.944 -12.077 3.360 88 3HD1 LEU 12 3HD1 LEU 12 -8.018 -10.852 2.493 89 1HD2 LEU 12 1HD2 LEU 12 -8.896 -13.745 0.900 90 2HD2 LEU 12 2HD2 LEU 12 -9.986 -13.072 -0.313 91 3HD2 LEU 12 3HD2 LEU 12 -10.625 -13.634 1.233 92 H GLY 13 H GLY 13 -13.753 -9.500 1.919 93 1HA GLY 13 2HA GLY 13 -15.152 -11.128 0.088 94 2HA GLY 13 1HA GLY 13 -15.822 -9.669 0.819 95 H SER 14 H SER 14 -14.317 -7.661 -0.235 96 HA SER 14 HA SER 14 -15.272 -7.562 -2.985 97 1HB SER 14 2HB SER 14 -14.300 -5.294 -2.987 98 2HB SER 14 1HB SER 14 -15.283 -5.553 -1.549 99 HG SER 14 HG SER 14 -13.537 -5.027 -0.509 100 H GLU 15 H GLU 15 -14.030 -9.327 -3.901 101 HA GLU 15 HA GLU 15 -11.280 -9.722 -3.849 102 1HB GLU 15 2HB GLU 15 -13.308 -10.075 -6.048 103 2HB GLU 15 1HB GLU 15 -11.607 -10.447 -6.329 104 1HG GLU 15 2HG GLU 15 -11.585 -12.160 -4.718 105 2HG GLU 15 1HG GLU 15 -13.037 -11.553 -3.919 106 H VAL 16 H VAL 16 -12.165 -8.558 -7.011 107 HA VAL 16 HA VAL 16 -10.348 -6.217 -6.588 108 HB VAL 16 HB VAL 16 -10.624 -7.720 -9.196 109 1HG1 VAL 16 1HG1 VAL 16 -8.095 -6.660 -9.004 110 2HG1 VAL 16 2HG1 VAL 16 -9.056 -5.460 -8.140 111 3HG1 VAL 16 3HG1 VAL 16 -9.452 -5.873 -9.809 112 1HG2 VAL 16 1HG2 VAL 16 -9.840 -9.232 -7.329 113 2HG2 VAL 16 2HG2 VAL 16 -8.483 -8.133 -7.087 114 3HG2 VAL 16 3HG2 VAL 16 -8.653 -9.000 -8.612 115 H SER 17 H SER 17 -13.271 -6.267 -6.404 116 HA SER 17 HA SER 17 -15.164 -5.198 -7.327 117 1HB SER 17 2HB SER 17 -14.803 -2.910 -7.602 118 2HB SER 17 1HB SER 17 -13.379 -3.372 -6.674 119 HG SER 17 HG SER 17 -12.169 -3.309 -8.494 120 H ARG 18 H ARG 18 -15.402 -3.577 -9.619 121 HA ARG 18 HA ARG 18 -14.452 -5.293 -11.856 122 1HB ARG 18 2HB ARG 18 -16.881 -4.938 -12.796 123 2HB ARG 18 1HB ARG 18 -16.582 -6.233 -11.634 124 1HG ARG 18 2HG ARG 18 -17.258 -3.544 -10.534 125 2HG ARG 18 1HG ARG 18 -18.562 -4.458 -11.292 126 1HD ARG 18 2HD ARG 18 -17.800 -6.440 -9.851 127 2HD ARG 18 1HD ARG 18 -16.841 -5.270 -8.944 128 HE ARG 18 HE ARG 18 -19.165 -4.057 -8.701 129 1HH1 ARG 18 2HH1 ARG 18 -19.514 -7.198 -9.771 130 2HH1 ARG 18 1HH1 ARG 18 -20.489 -7.739 -8.446 131 1HH2 ARG 18 1HH2 ARG 18 -20.027 -4.853 -6.581 132 2HH2 ARG 18 2HH2 ARG 18 -20.781 -6.411 -6.642 133 H PHE 19 H PHE 19 -14.317 -2.371 -10.620 134 HA PHE 19 HA PHE 19 -14.304 -1.069 -13.291 135 1HB PHE 19 2HB PHE 19 -15.574 0.207 -10.851 136 2HB PHE 19 1HB PHE 19 -15.507 0.874 -12.483 137 HD1 PHE 19 HD1 PHE 19 -17.661 -0.628 -10.259 138 HD2 PHE 19 HD2 PHE 19 -16.315 -1.042 -14.320 139 HE1 PHE 19 HE1 PHE 19 -19.762 -1.816 -10.834 140 HE2 PHE 19 HE2 PHE 19 -18.416 -2.230 -14.895 141 HZ PHE 19 HZ PHE 19 -20.140 -2.617 -13.152 142 H PHE 20 H PHE 20 -13.625 1.492 -12.445 143 HA PHE 20 HA PHE 20 -11.206 1.084 -10.746 144 1HB PHE 20 2HB PHE 20 -10.363 1.052 -13.001 145 2HB PHE 20 1HB PHE 20 -11.354 2.441 -13.450 146 HD1 PHE 20 HD1 PHE 20 -9.736 4.081 -14.026 147 HD2 PHE 20 HD2 PHE 20 -9.401 1.942 -10.313 148 HE1 PHE 20 HE1 PHE 20 -7.924 5.615 -13.305 149 HE2 PHE 20 HE2 PHE 20 -7.588 3.475 -9.594 150 HZ PHE 20 HZ PHE 20 -6.850 5.312 -11.089 151 H GLY 21 H GLY 21 -12.897 3.710 -12.506 152 1HA GLY 21 2HA GLY 21 -12.367 5.579 -10.322 153 2HA GLY 21 1HA GLY 21 -13.292 5.929 -11.783 154 H ARG 22 H ARG 22 -14.483 3.084 -10.561 155 HA ARG 22 HA ARG 22 -16.716 4.543 -9.228 156 1HB ARG 22 2HB ARG 22 -16.515 2.106 -10.899 157 2HB ARG 22 1HB ARG 22 -17.628 1.993 -9.535 158 1HG ARG 22 2HG ARG 22 -19.106 3.423 -10.483 159 2HG ARG 22 1HG ARG 22 -17.833 4.537 -10.984 160 1HD ARG 22 2HD ARG 22 -17.489 2.243 -12.579 161 2HD ARG 22 1HD ARG 22 -19.227 2.541 -12.554 162 HE ARG 22 HE ARG 22 -17.989 5.033 -13.018 163 1HH1 ARG 22 1HH2 ARG 22 -17.719 1.923 -14.437 164 2HH1 ARG 22 2HH2 ARG 22 -17.795 2.504 -16.067 165 1HH2 ARG 22 2HH1 ARG 22 -18.321 5.806 -15.145 166 2HH2 ARG 22 1HH1 ARG 22 -18.136 4.704 -16.468 167 H ALA 23 H ALA 23 -15.183 1.315 -8.895 168 HA ALA 23 HA ALA 23 -15.944 0.709 -6.306 169 1HB ALA 23 1HB ALA 23 -14.333 -0.909 -6.381 170 2HB ALA 23 2HB ALA 23 -13.070 0.232 -6.842 171 3HB ALA 23 3HB ALA 23 -14.182 -0.392 -8.060 172 HA PRO 24 HA PRO 24 -14.023 4.294 -4.323 173 1HB PRO 24 2HB PRO 24 -15.729 4.265 -2.172 174 2HB PRO 24 1HB PRO 24 -16.124 5.028 -3.721 175 1HG PRO 24 2HG PRO 24 -17.142 2.472 -2.577 176 2HG PRO 24 1HG PRO 24 -17.901 3.555 -3.756 177 1HD PRO 24 2HD PRO 24 -16.576 1.114 -4.340 178 2HD PRO 24 1HD PRO 24 -17.082 2.344 -5.518 179 H TYR 25 H TYR 25 -12.422 2.175 -4.089 180 HA TYR 25 HA TYR 25 -11.753 2.097 -1.249 181 1HB TYR 25 2HB TYR 25 -12.784 -0.354 -2.687 182 2HB TYR 25 1HB TYR 25 -11.724 -0.477 -1.281 183 HD1 TYR 25 HD1 TYR 25 -15.099 -0.131 -2.379 184 HD2 TYR 25 HD2 TYR 25 -12.432 0.891 0.834 185 HE1 TYR 25 HE1 TYR 25 -17.042 0.225 -0.878 186 HE2 TYR 25 HE2 TYR 25 -14.376 1.246 2.334 187 HH TYR 25 HH TYR 25 -16.780 0.428 2.451 188 H PHE 26 H PHE 26 -10.000 3.205 -2.636 189 HA PHE 26 HA PHE 26 -8.321 1.435 -4.251 190 1HB PHE 26 2HB PHE 26 -7.690 4.201 -3.180 191 2HB PHE 26 1HB PHE 26 -6.876 3.373 -4.507 192 HD1 PHE 26 HD1 PHE 26 -8.575 2.454 -6.390 193 HD2 PHE 26 HD2 PHE 26 -9.327 5.757 -3.745 194 HE1 PHE 26 HE1 PHE 26 -10.260 3.343 -7.979 195 HE2 PHE 26 HE2 PHE 26 -11.012 6.646 -5.333 196 HZ PHE 26 HZ PHE 26 -11.479 5.439 -7.450 197 H MET 27 H MET 27 -7.194 -0.122 -3.171 198 HA MET 27 HA MET 27 -6.308 0.268 -0.415 199 1HB MET 27 2HB MET 27 -6.529 -1.941 -2.308 200 2HB MET 27 1HB MET 27 -5.006 -1.986 -1.421 201 1HG MET 27 2HG MET 27 -6.069 -2.720 0.419 202 2HG MET 27 1HG MET 27 -7.116 -1.301 0.402 203 1HE MET 27 1HE MET 27 -8.868 -3.150 1.586 204 2HE MET 27 2HE MET 27 -7.581 -4.325 1.323 205 3HE MET 27 3HE MET 27 -9.222 -4.695 0.799 206 H ILE 28 H ILE 28 -4.208 0.669 0.277 207 HA ILE 28 HA ILE 28 -2.171 1.142 -1.864 208 HB ILE 28 HB ILE 28 -2.268 2.716 0.708 209 1HG1 ILE 28 2HG1 ILE 28 -4.457 2.917 -0.543 210 2HG1 ILE 28 1HG1 ILE 28 -3.565 4.432 -0.397 211 1HG2 ILE 28 1HG2 ILE 28 -1.185 4.383 -0.993 212 2HG2 ILE 28 2HG2 ILE 28 -0.938 2.944 -1.983 213 3HG2 ILE 28 3HG2 ILE 28 -0.215 3.045 -0.377 214 1HD1 ILE 28 1HD1 ILE 28 -3.534 4.626 -2.636 215 2HD1 ILE 28 2HD1 ILE 28 -4.404 3.100 -2.786 216 3HD1 ILE 28 3HD1 ILE 28 -2.641 3.110 -2.749 217 H VAL 29 H VAL 29 -0.129 0.309 -1.434 218 HA VAL 29 HA VAL 29 0.394 -0.755 1.294 219 HB VAL 29 HB VAL 29 0.913 -2.392 -1.197 220 1HG1 VAL 29 1HG1 VAL 29 1.646 -2.590 1.571 221 2HG1 VAL 29 2HG1 VAL 29 2.037 -3.694 0.252 222 3HG1 VAL 29 3HG1 VAL 29 0.553 -3.917 1.179 223 1HG2 VAL 29 1HG2 VAL 29 -1.410 -2.426 -1.205 224 2HG2 VAL 29 2HG2 VAL 29 -1.522 -2.145 0.533 225 3HG2 VAL 29 3HG2 VAL 29 -1.082 -3.741 -0.075 226 H GLU 30 H GLU 30 2.600 -0.744 1.841 227 HA GLU 30 HA GLU 30 4.443 0.339 -0.253 228 1HB GLU 30 2HB GLU 30 4.804 0.978 2.661 229 2HB GLU 30 1HB GLU 30 5.341 1.888 1.249 230 1HG GLU 30 2HG GLU 30 2.902 2.326 0.725 231 2HG GLU 30 1HG GLU 30 2.512 1.630 2.298 232 H MET 31 H MET 31 5.757 -1.378 -0.719 233 HA MET 31 HA MET 31 6.468 -3.342 1.338 234 1HB MET 31 2HB MET 31 7.131 -2.993 -1.585 235 2HB MET 31 1HB MET 31 7.978 -4.186 -0.600 236 1HG MET 31 2HG MET 31 5.352 -4.642 0.085 237 2HG MET 31 1HG MET 31 5.221 -4.224 -1.624 238 1HE MET 31 1HE MET 31 4.738 -6.569 -2.890 239 2HE MET 31 2HE MET 31 4.130 -6.575 -1.237 240 3HE MET 31 3HE MET 31 4.977 -7.988 -1.861 241 H LYS 32 H LYS 32 8.609 -3.672 2.146 242 HA LYS 32 HA LYS 32 10.325 -1.235 1.960 243 1HB LYS 32 2HB LYS 32 9.613 -1.734 4.233 244 2HB LYS 32 1HB LYS 32 10.163 -3.402 4.076 245 1HG LYS 32 2HG LYS 32 12.297 -2.837 4.547 246 2HG LYS 32 1HG LYS 32 12.266 -1.496 3.400 247 1HD LYS 32 2HD LYS 32 10.596 -0.753 5.571 248 2HD LYS 32 1HD LYS 32 12.082 -1.399 6.268 249 1HE LYS 32 2HE LYS 32 13.366 0.300 5.439 250 2HE LYS 32 1HE LYS 32 12.435 0.412 3.945 251 1HZ LYS 32 1HZ LYS 32 10.974 1.856 4.851 252 2HZ LYS 32 2HZ LYS 32 12.299 2.232 5.846 253 3HZ LYS 32 3HZ LYS 32 11.082 1.188 6.406 254 H LYS 33 H LYS 33 10.596 -4.800 2.207 255 HA LYS 33 HA LYS 33 12.724 -4.764 0.181 256 1HB LYS 33 2HB LYS 33 13.357 -4.761 2.986 257 2HB LYS 33 1HB LYS 33 13.808 -6.321 2.299 258 1HG LYS 33 2HG LYS 33 14.544 -4.225 0.465 259 2HG LYS 33 1HG LYS 33 15.209 -3.870 2.062 260 1HD LYS 33 2HD LYS 33 15.492 -6.688 1.428 261 2HD LYS 33 1HD LYS 33 16.240 -5.686 0.185 262 1HE LYS 33 2HE LYS 33 17.240 -4.369 2.216 263 2HE LYS 33 1HE LYS 33 16.871 -5.837 3.121 264 1HZ LYS 33 1HZ LYS 33 18.050 -6.719 0.818 265 2HZ LYS 33 2HZ LYS 33 18.783 -6.619 2.348 266 3HZ LYS 33 3HZ LYS 33 18.956 -5.347 1.235 267 H GLY 34 H GLY 34 10.318 -5.921 -0.172 268 1HA GLY 34 2HA GLY 34 9.594 -8.022 -1.021 269 2HA GLY 34 1HA GLY 34 11.007 -8.777 -0.283 270 H ASN 35 H ASN 35 9.092 -6.669 1.688 271 HA ASN 35 HA ASN 35 7.521 -8.916 2.801 272 1HB ASN 35 2HB ASN 35 9.946 -8.404 3.931 273 2HB ASN 35 1HB ASN 35 8.921 -7.307 4.856 274 1HD2 ASN 35 1HD2 ASN 35 7.216 -8.252 6.190 275 2HD2 ASN 35 2HD2 ASN 35 7.191 -9.911 6.546 276 H ILE 36 H ILE 36 5.619 -7.802 2.248 277 HA ILE 36 HA ILE 36 5.024 -5.099 2.446 278 HB ILE 36 HB ILE 36 2.660 -5.864 3.055 279 1HG1 ILE 36 2HG1 ILE 36 4.015 -8.573 2.844 280 2HG1 ILE 36 1HG1 ILE 36 3.352 -7.875 4.322 281 1HG2 ILE 36 1HG2 ILE 36 3.263 -7.616 0.825 282 2HG2 ILE 36 2HG2 ILE 36 4.159 -6.104 0.687 283 3HG2 ILE 36 3HG2 ILE 36 2.401 -6.077 0.826 284 1HD1 ILE 36 1HD1 ILE 36 1.974 -9.275 2.185 285 2HD1 ILE 36 2HD1 ILE 36 1.282 -7.673 2.440 286 3HD1 ILE 36 3HD1 ILE 36 1.378 -8.815 3.780 287 H GLU 37 H GLU 37 5.439 -3.756 4.134 288 HA GLU 37 HA GLU 37 4.991 -4.815 6.895 289 1HB GLU 37 2HB GLU 37 7.309 -3.775 5.899 290 2HB GLU 37 1HB GLU 37 6.557 -2.326 6.568 291 1HG GLU 37 2HG GLU 37 6.397 -4.718 8.298 292 2HG GLU 37 1HG GLU 37 8.027 -4.094 8.041 293 H SER 38 H SER 38 3.359 -3.162 4.690 294 HA SER 38 HA SER 38 1.800 -1.703 6.671 295 1HB SER 38 2HB SER 38 2.083 0.519 5.552 296 2HB SER 38 1HB SER 38 3.552 -0.047 6.340 297 HG SER 38 HG SER 38 4.475 -0.041 4.461 298 H SER 39 H SER 39 -0.195 -2.316 5.988 299 HA SER 39 HA SER 39 -0.839 -1.965 3.096 300 1HB SER 39 2HB SER 39 -2.406 -4.117 3.983 301 2HB SER 39 1HB SER 39 -1.038 -4.200 2.877 302 HG SER 39 HG SER 39 -1.098 -5.421 5.052 303 H GLU 40 H GLU 40 -2.217 -0.232 3.268 304 HA GLU 40 HA GLU 40 -4.481 -0.499 5.210 305 1HB GLU 40 2HB GLU 40 -2.576 1.574 5.005 306 2HB GLU 40 1HB GLU 40 -4.064 2.221 4.312 307 1HG GLU 40 2HG GLU 40 -4.944 0.847 6.563 308 2HG GLU 40 1HG GLU 40 -3.438 1.594 7.099 309 H VAL 41 H VAL 41 -6.247 1.301 4.295 310 HA VAL 41 HA VAL 41 -6.553 0.744 1.376 311 HB VAL 41 HB VAL 41 -7.971 -0.817 2.700 312 1HG1 VAL 41 1HG1 VAL 41 -8.377 1.493 4.279 313 2HG1 VAL 41 2HG1 VAL 41 -9.100 -0.099 4.509 314 3HG1 VAL 41 3HG1 VAL 41 -9.937 1.120 3.549 315 1HG2 VAL 41 1HG2 VAL 41 -9.901 -0.512 1.375 316 2HG2 VAL 41 2HG2 VAL 41 -8.641 0.302 0.446 317 3HG2 VAL 41 3HG2 VAL 41 -9.765 1.246 1.422 318 H ILE 42 H ILE 42 -8.233 2.237 0.389 319 HA ILE 42 HA ILE 42 -8.327 4.858 1.824 320 HB ILE 42 HB ILE 42 -7.933 4.587 -1.161 321 1HG1 ILE 42 2HG1 ILE 42 -6.057 3.538 0.241 322 2HG1 ILE 42 1HG1 ILE 42 -5.575 4.818 -0.872 323 1HG2 ILE 42 1HG2 ILE 42 -8.804 6.730 -0.376 324 2HG2 ILE 42 2HG2 ILE 42 -7.129 6.930 -0.888 325 3HG2 ILE 42 3HG2 ILE 42 -7.521 6.838 0.828 326 1HD1 ILE 42 1HD1 ILE 42 -5.230 6.361 0.834 327 2HD1 ILE 42 2HD1 ILE 42 -4.747 4.866 1.635 328 3HD1 ILE 42 3HD1 ILE 42 -6.346 5.550 1.933 329 H GLU 43 H GLU 43 -10.520 4.778 2.340 330 HA GLU 43 HA GLU 43 -12.508 3.870 0.407 331 1HB GLU 43 2HB GLU 43 -12.710 3.734 2.952 332 2HB GLU 43 1HB GLU 43 -13.025 5.469 2.923 333 1HG GLU 43 2HG GLU 43 -14.914 5.064 1.346 334 2HG GLU 43 1HG GLU 43 -14.632 3.329 1.495 335 H ASN 44 H ASN 44 -13.405 5.120 -1.165 336 HA ASN 44 HA ASN 44 -13.265 8.090 -0.826 337 1HB ASN 44 2HB ASN 44 -12.303 6.365 -3.024 338 2HB ASN 44 1HB ASN 44 -13.250 7.760 -3.542 339 1HD2 ASN 44 1HD2 ASN 44 -12.026 9.623 -3.819 340 2HD2 ASN 44 2HD2 ASN 44 -10.574 9.969 -3.012 341 HA PRO 45 HA PRO 45 -17.618 6.832 -1.590 342 1HB PRO 45 2HB PRO 45 -18.642 8.361 0.453 343 2HB PRO 45 1HB PRO 45 -18.084 6.693 0.665 344 1HG PRO 45 2HG PRO 45 -16.764 9.234 1.501 345 2HG PRO 45 1HG PRO 45 -16.617 7.611 2.197 346 1HD PRO 45 2HD PRO 45 -14.739 8.855 0.483 347 2HD PRO 45 1HD PRO 45 -14.778 7.131 0.913 348 H SER 46 H SER 46 -17.416 8.145 -3.565 349 HA SER 46 HA SER 46 -18.979 10.542 -3.537 350 1HB SER 46 2HB SER 46 -16.957 11.999 -4.372 351 2HB SER 46 1HB SER 46 -17.225 11.799 -2.642 352 HG SER 46 HG SER 46 -15.039 11.303 -3.817 353 H ALA 47 H ALA 47 -16.154 9.208 -5.300 354 HA ALA 47 HA ALA 47 -16.885 9.973 -7.891 355 1HB ALA 47 1HB ALA 47 -15.403 7.606 -6.787 356 2HB ALA 47 2HB ALA 47 -14.804 8.925 -7.793 357 3HB ALA 47 3HB ALA 47 -15.791 7.650 -8.507 358 H SER 48 H SER 48 -18.079 7.240 -5.975 359 HA SER 48 HA SER 48 -20.067 6.710 -8.147 360 1HB SER 48 2HB SER 48 -18.333 4.914 -7.034 361 2HB SER 48 1HB SER 48 -19.745 4.699 -6.001 362 HG SER 48 HG SER 48 -20.945 4.160 -7.755 363 H ALA 49 H ALA 49 -20.616 8.837 -6.483 364 HA ALA 49 HA ALA 49 -22.971 7.807 -5.015 365 1HB ALA 49 1HB ALA 49 -22.240 8.326 -2.942 366 2HB ALA 49 2HB ALA 49 -21.639 9.896 -3.477 367 3HB ALA 49 3HB ALA 49 -20.628 8.460 -3.645 368 H SER 50 H SER 50 -21.102 10.715 -5.920 369 HA SER 50 HA SER 50 -23.683 11.969 -6.734 370 1HB SER 50 2HB SER 50 -21.846 12.858 -4.641 371 2HB SER 50 1HB SER 50 -22.117 14.096 -5.865 372 HG SER 50 HG SER 50 -23.664 13.874 -4.002 373 H GLY 51 H GLY 51 -21.327 10.674 -8.136 374 1HA GLY 51 2HA GLY 51 -20.344 11.071 -10.247 375 2HA GLY 51 1HA GLY 51 -21.078 12.675 -10.240 376 H GLY 52 H GLY 52 -19.103 11.542 -7.577 377 1HA GLY 52 2HA GLY 52 -17.431 13.834 -7.564 378 2HA GLY 52 1HA GLY 52 -17.038 12.311 -6.767 379 H ALA 53 H ALA 53 -14.816 13.163 -7.594 380 HA ALA 53 HA ALA 53 -14.376 12.468 -10.451 381 1HB ALA 53 1HB ALA 53 -11.952 13.274 -9.673 382 2HB ALA 53 2HB ALA 53 -12.888 14.054 -8.398 383 3HB ALA 53 3HB ALA 53 -13.214 14.435 -10.089 384 H GLY 54 H GLY 54 -13.836 10.382 -10.851 385 1HA GLY 54 2HA GLY 54 -12.335 8.893 -8.735 386 2HA GLY 54 1HA GLY 54 -13.412 8.128 -9.904 387 H ILE 55 H ILE 55 -12.527 9.547 -12.222 388 HA ILE 55 HA ILE 55 -10.131 7.999 -12.819 389 HB ILE 55 HB ILE 55 -11.600 10.098 -14.445 390 1HG1 ILE 55 2HG1 ILE 55 -13.020 8.182 -13.984 391 2HG1 ILE 55 1HG1 ILE 55 -12.455 8.059 -15.650 392 1HG2 ILE 55 1HG2 ILE 55 -9.153 8.501 -14.904 393 2HG2 ILE 55 2HG2 ILE 55 -9.674 10.006 -15.661 394 3HG2 ILE 55 3HG2 ILE 55 -10.323 8.465 -16.222 395 1HD1 ILE 55 1HD1 ILE 55 -11.884 6.319 -13.344 396 2HD1 ILE 55 2HD1 ILE 55 -10.458 6.755 -14.285 397 3HD1 ILE 55 3HD1 ILE 55 -11.821 5.958 -15.069 398 H ARG 56 H ARG 56 -10.851 11.320 -11.952 399 HA ARG 56 HA ARG 56 -8.242 12.352 -12.733 400 1HB ARG 56 2HB ARG 56 -10.557 13.418 -11.127 401 2HB ARG 56 1HB ARG 56 -9.018 14.279 -11.160 402 1HG ARG 56 2HG ARG 56 -10.175 13.388 -13.768 403 2HG ARG 56 1HG ARG 56 -10.913 14.776 -12.968 404 1HD ARG 56 2HD ARG 56 -7.924 14.638 -13.258 405 2HD ARG 56 1HD ARG 56 -8.913 15.165 -14.619 406 HE ARG 56 HE ARG 56 -9.808 16.955 -13.066 407 1HH1 ARG 56 1HH2 ARG 56 -7.039 17.683 -13.773 408 2HH1 ARG 56 2HH2 ARG 56 -6.293 17.925 -12.227 409 1HH2 ARG 56 2HH1 ARG 56 -8.772 16.250 -10.474 410 2HH2 ARG 56 1HH1 ARG 56 -7.275 17.114 -10.360 411 H THR 57 H THR 57 -9.685 11.058 -9.780 412 HA THR 57 HA THR 57 -7.834 11.848 -7.846 413 HB THR 57 HB THR 57 -9.870 10.397 -7.480 414 HG1 THR 57 HG1 THR 57 -7.335 9.819 -6.419 415 1HG2 THR 57 1HG2 THR 57 -8.335 7.923 -7.797 416 2HG2 THR 57 2HG2 THR 57 -8.629 8.750 -9.327 417 3HG2 THR 57 3HG2 THR 57 -9.986 8.292 -8.297 418 H ALA 58 H ALA 58 -7.346 9.697 -10.537 419 HA ALA 58 HA ALA 58 -5.230 8.081 -9.772 420 1HB ALA 58 1HB ALA 58 -6.339 8.597 -12.145 421 2HB ALA 58 2HB ALA 58 -4.744 7.855 -12.019 422 3HB ALA 58 3HB ALA 58 -4.891 9.584 -12.332 423 H GLN 59 H GLN 59 -4.976 11.502 -10.778 424 HA GLN 59 HA GLN 59 -2.184 11.790 -10.576 425 1HB GLN 59 2HB GLN 59 -4.028 13.501 -11.288 426 2HB GLN 59 1HB GLN 59 -4.028 13.949 -9.582 427 1HG GLN 59 2HG GLN 59 -1.350 13.698 -10.815 428 2HG GLN 59 1HG GLN 59 -2.337 15.030 -11.423 429 1HE2 GLN 59 1HE2 GLN 59 -1.101 16.691 -10.324 430 2HE2 GLN 59 2HE2 GLN 59 -1.125 16.857 -8.635 431 H ILE 60 H ILE 60 -4.624 12.244 -8.002 432 HA ILE 60 HA ILE 60 -2.787 12.899 -5.929 433 HB ILE 60 HB ILE 60 -5.478 11.510 -5.795 434 1HG1 ILE 60 2HG1 ILE 60 -4.796 14.382 -5.140 435 2HG1 ILE 60 1HG1 ILE 60 -5.252 13.884 -6.770 436 1HG2 ILE 60 1HG2 ILE 60 -5.490 12.018 -3.442 437 2HG2 ILE 60 2HG2 ILE 60 -3.986 12.930 -3.573 438 3HG2 ILE 60 3HG2 ILE 60 -3.976 11.178 -3.778 439 1HD1 ILE 60 1HD1 ILE 60 -7.146 14.716 -5.238 440 2HD1 ILE 60 2HD1 ILE 60 -6.948 13.194 -4.369 441 3HD1 ILE 60 3HD1 ILE 60 -7.408 13.183 -6.072 442 H ILE 61 H ILE 61 -3.913 9.760 -7.134 443 HA ILE 61 HA ILE 61 -2.800 8.159 -5.048 444 HB ILE 61 HB ILE 61 -3.192 7.464 -7.975 445 1HG1 ILE 61 2HG1 ILE 61 -4.997 7.202 -5.548 446 2HG1 ILE 61 1HG1 ILE 61 -5.277 8.214 -6.966 447 1HG2 ILE 61 1HG2 ILE 61 -1.912 6.033 -5.920 448 2HG2 ILE 61 2HG2 ILE 61 -2.471 5.390 -7.463 449 3HG2 ILE 61 3HG2 ILE 61 -3.520 5.321 -6.048 450 1HD1 ILE 61 1HD1 ILE 61 -4.774 5.424 -7.677 451 2HD1 ILE 61 2HD1 ILE 61 -6.100 6.483 -8.161 452 3HD1 ILE 61 3HD1 ILE 61 -6.182 5.608 -6.631 453 H ALA 62 H ALA 62 -1.403 9.339 -8.104 454 HA ALA 62 HA ALA 62 1.095 7.922 -7.761 455 1HB ALA 62 1HB ALA 62 1.907 9.313 -9.591 456 2HB ALA 62 2HB ALA 62 0.549 10.421 -9.390 457 3HB ALA 62 3HB ALA 62 0.268 8.775 -9.959 458 H ASN 63 H ASN 63 -0.143 11.013 -6.663 459 HA ASN 63 HA ASN 63 2.471 12.056 -5.908 460 1HB ASN 63 2HB ASN 63 -0.281 12.989 -5.917 461 2HB ASN 63 1HB ASN 63 0.522 13.393 -4.398 462 1HD2 ASN 63 1HD2 ASN 63 0.747 13.796 -7.939 463 2HD2 ASN 63 2HD2 ASN 63 1.805 15.122 -7.885 464 H ASN 64 H ASN 64 0.847 9.489 -4.713 465 HA ASN 64 HA ASN 64 1.525 10.107 -1.874 466 1HB ASN 64 2HB ASN 64 -0.665 8.720 -3.123 467 2HB ASN 64 1HB ASN 64 0.203 7.604 -2.069 468 1HD2 ASN 64 1HD2 ASN 64 -0.652 11.115 -1.870 469 2HD2 ASN 64 2HD2 ASN 64 -1.278 11.018 -0.295 470 H GLY 65 H GLY 65 2.960 8.766 -4.496 471 1HA GLY 65 2HA GLY 65 5.118 7.669 -4.321 472 2HA GLY 65 1HA GLY 65 4.611 6.991 -2.774 473 H VAL 66 H VAL 66 1.925 6.523 -4.415 474 HA VAL 66 HA VAL 66 2.339 3.724 -4.831 475 HB VAL 66 HB VAL 66 0.205 5.540 -5.996 476 1HG1 VAL 66 1HG1 VAL 66 0.199 2.535 -5.582 477 2HG1 VAL 66 2HG1 VAL 66 0.476 3.322 -7.137 478 3HG1 VAL 66 3HG1 VAL 66 -1.079 3.500 -6.323 479 1HG2 VAL 66 1HG2 VAL 66 -1.136 4.546 -4.078 480 2HG2 VAL 66 2HG2 VAL 66 0.143 5.658 -3.591 481 3HG2 VAL 66 3HG2 VAL 66 0.384 3.918 -3.441 482 H LYS 67 H LYS 67 4.217 3.544 -6.170 483 HA LYS 67 HA LYS 67 4.218 4.734 -8.843 484 1HB LYS 67 2HB LYS 67 6.201 3.830 -7.185 485 2HB LYS 67 1HB LYS 67 6.042 2.471 -8.298 486 1HG LYS 67 2HG LYS 67 5.935 4.720 -9.950 487 2HG LYS 67 1HG LYS 67 7.183 5.111 -8.766 488 1HD LYS 67 2HD LYS 67 7.594 2.404 -9.470 489 2HD LYS 67 1HD LYS 67 7.313 3.266 -10.983 490 1HE LYS 67 2HE LYS 67 9.604 3.581 -10.711 491 2HE LYS 67 1HE LYS 67 8.969 5.033 -9.938 492 1HZ LYS 67 1HZ LYS 67 8.961 3.588 -7.835 493 2HZ LYS 67 2HZ LYS 67 10.444 4.210 -8.384 494 3HZ LYS 67 3HZ LYS 67 10.035 2.588 -8.684 495 H ALA 68 H ALA 68 2.565 2.198 -7.477 496 HA ALA 68 HA ALA 68 2.355 0.825 -10.127 497 1HB ALA 68 1HB ALA 68 2.944 -0.280 -7.459 498 2HB ALA 68 2HB ALA 68 3.239 -0.975 -9.053 499 3HB ALA 68 3HB ALA 68 1.645 -1.115 -8.312 500 H VAL 69 H VAL 69 0.285 0.829 -10.891 501 HA VAL 69 HA VAL 69 -1.915 1.217 -8.899 502 HB VAL 69 HB VAL 69 -1.610 2.443 -11.654 503 1HG1 VAL 69 1HG1 VAL 69 -3.843 2.733 -11.739 504 2HG1 VAL 69 2HG1 VAL 69 -3.875 3.360 -10.091 505 3HG1 VAL 69 3HG1 VAL 69 -3.976 1.622 -10.374 506 1HG2 VAL 69 1HG2 VAL 69 -1.957 4.549 -10.211 507 2HG2 VAL 69 2HG2 VAL 69 -0.399 3.736 -10.068 508 3HG2 VAL 69 3HG2 VAL 69 -1.629 3.508 -8.825 509 H ILE 70 H ILE 70 -3.048 -0.664 -8.863 510 HA ILE 70 HA ILE 70 -3.298 -2.237 -11.378 511 HB ILE 70 HB ILE 70 -3.833 -2.907 -8.471 512 1HG1 ILE 70 2HG1 ILE 70 -2.135 -4.693 -10.011 513 2HG1 ILE 70 1HG1 ILE 70 -1.534 -3.037 -10.083 514 1HG2 ILE 70 1HG2 ILE 70 -4.106 -5.272 -9.725 515 2HG2 ILE 70 2HG2 ILE 70 -4.728 -4.216 -10.993 516 3HG2 ILE 70 3HG2 ILE 70 -5.479 -4.216 -9.398 517 1HD1 ILE 70 1HD1 ILE 70 -2.200 -4.580 -7.558 518 2HD1 ILE 70 2HD1 ILE 70 -1.661 -2.902 -7.607 519 3HD1 ILE 70 3HD1 ILE 70 -0.581 -4.191 -8.140 520 H ALA 71 H ALA 71 -5.176 -2.072 -12.519 521 HA ALA 71 HA ALA 71 -7.741 -1.753 -11.134 522 1HB ALA 71 1HB ALA 71 -7.973 0.302 -12.967 523 2HB ALA 71 2HB ALA 71 -6.339 0.524 -12.343 524 3HB ALA 71 3HB ALA 71 -7.712 0.509 -11.235 525 H SER 72 H SER 72 -9.540 -1.553 -12.885 526 HA SER 72 HA SER 72 -8.712 -3.033 -15.346 527 1HB SER 72 2HB SER 72 -11.397 -3.721 -14.552 528 2HB SER 72 1HB SER 72 -10.016 -4.784 -14.804 529 HG SER 72 HG SER 72 -10.814 -3.412 -12.460 530 H SER 73 H SER 73 -8.976 -0.303 -15.415 531 HA SER 73 HA SER 73 -11.601 0.692 -15.914 532 1HB SER 73 2HB SER 73 -10.496 2.628 -16.300 533 2HB SER 73 1HB SER 73 -9.022 1.743 -15.924 534 HG SER 73 HG SER 73 -8.505 1.812 -17.959 535 HA PRO 74 HA PRO 74 -12.555 -0.933 -19.876 536 1HB PRO 74 2HB PRO 74 -14.074 1.127 -20.883 537 2HB PRO 74 1HB PRO 74 -14.645 0.012 -19.629 538 1HG PRO 74 2HG PRO 74 -13.772 2.851 -19.359 539 2HG PRO 74 1HG PRO 74 -14.894 1.921 -18.351 540 1HD PRO 74 2HD PRO 74 -12.200 2.515 -17.717 541 2HD PRO 74 1HD PRO 74 -13.229 1.323 -16.894 542 H GLY 75 H GLY 75 -12.655 2.383 -21.007 543 1HA GLY 75 2HA GLY 75 -10.911 1.851 -23.219 544 2HA GLY 75 1HA GLY 75 -11.433 3.455 -22.702 545 HA PRO 76 HA PRO 76 -6.955 2.615 -21.462 546 1HB PRO 76 2HB PRO 76 -5.657 3.688 -23.632 547 2HB PRO 76 1HB PRO 76 -6.075 1.972 -23.491 548 1HG PRO 76 2HG PRO 76 -7.335 4.076 -25.181 549 2HG PRO 76 1HG PRO 76 -7.289 2.323 -25.424 550 1HD PRO 76 2HD PRO 76 -9.486 3.820 -24.420 551 2HD PRO 76 1HD PRO 76 -9.326 2.051 -24.411 552 H ASN 77 H ASN 77 -8.975 4.928 -21.265 553 HA ASN 77 HA ASN 77 -7.410 7.346 -21.688 554 1HB ASN 77 2HB ASN 77 -10.124 6.682 -20.985 555 2HB ASN 77 1HB ASN 77 -9.488 7.850 -19.826 556 1HD2 ASN 77 1HD2 ASN 77 -10.756 9.626 -20.723 557 2HD2 ASN 77 2HD2 ASN 77 -10.392 10.296 -22.240 558 H ALA 78 H ALA 78 -8.665 5.799 -18.701 559 HA ALA 78 HA ALA 78 -7.135 7.329 -16.884 560 1HB ALA 78 1HB ALA 78 -8.968 5.800 -16.208 561 2HB ALA 78 2HB ALA 78 -7.494 5.495 -15.289 562 3HB ALA 78 3HB ALA 78 -7.949 4.419 -16.611 563 H PHE 79 H PHE 79 -6.314 4.272 -18.524 564 HA PHE 79 HA PHE 79 -3.792 3.869 -17.269 565 1HB PHE 79 2HB PHE 79 -4.995 3.022 -19.889 566 2HB PHE 79 1HB PHE 79 -3.286 2.714 -19.579 567 HD1 PHE 79 HD1 PHE 79 -5.765 2.843 -16.860 568 HD2 PHE 79 HD2 PHE 79 -3.545 0.281 -19.502 569 HE1 PHE 79 HE1 PHE 79 -6.369 0.882 -15.466 570 HE2 PHE 79 HE2 PHE 79 -4.149 -1.681 -18.108 571 HZ PHE 79 HZ PHE 79 -5.561 -1.379 -16.089 572 H GLU 80 H GLU 80 -4.584 5.536 -20.337 573 HA GLU 80 HA GLU 80 -1.913 6.344 -20.934 574 1HB GLU 80 2HB GLU 80 -4.423 6.664 -22.114 575 2HB GLU 80 1HB GLU 80 -3.918 8.310 -21.728 576 1HG GLU 80 2HG GLU 80 -2.696 8.217 -23.629 577 2HG GLU 80 1HG GLU 80 -1.602 7.165 -22.729 578 H VAL 81 H VAL 81 -4.190 7.480 -18.589 579 HA VAL 81 HA VAL 81 -3.064 10.134 -18.264 580 HB VAL 81 HB VAL 81 -4.731 8.435 -16.383 581 1HG1 VAL 81 1HG1 VAL 81 -4.211 10.010 -14.849 582 2HG1 VAL 81 2HG1 VAL 81 -5.127 11.147 -15.838 583 3HG1 VAL 81 3HG1 VAL 81 -3.383 10.999 -16.052 584 1HG2 VAL 81 1HG2 VAL 81 -5.385 9.703 -18.811 585 2HG2 VAL 81 2HG2 VAL 81 -5.995 10.773 -17.549 586 3HG2 VAL 81 3HG2 VAL 81 -6.514 9.089 -17.604 587 H LEU 82 H LEU 82 -2.958 7.300 -16.065 588 HA LEU 82 HA LEU 82 -0.861 8.298 -14.435 589 1HB LEU 82 2HB LEU 82 -1.478 5.402 -15.104 590 2HB LEU 82 1HB LEU 82 -0.544 5.967 -13.718 591 HG LEU 82 HG LEU 82 -3.130 7.307 -13.915 592 1HD1 LEU 82 1HD1 LEU 82 -3.798 4.731 -12.896 593 2HD1 LEU 82 2HD1 LEU 82 -3.083 4.497 -14.491 594 3HD1 LEU 82 3HD1 LEU 82 -4.484 5.551 -14.299 595 1HD2 LEU 82 1HD2 LEU 82 -3.216 6.644 -11.544 596 2HD2 LEU 82 2HD2 LEU 82 -1.634 7.316 -11.938 597 3HD2 LEU 82 3HD2 LEU 82 -1.837 5.571 -11.786 598 H ASN 83 H ASN 83 -0.796 6.777 -17.581 599 HA ASN 83 HA ASN 83 1.941 5.968 -17.627 600 1HB ASN 83 2HB ASN 83 -0.029 5.606 -19.357 601 2HB ASN 83 1HB ASN 83 0.623 7.075 -20.084 602 1HD2 ASN 83 1HD2 ASN 83 2.221 6.678 -21.611 603 2HD2 ASN 83 2HD2 ASN 83 3.248 5.325 -21.625 604 H GLU 84 H GLU 84 0.415 9.002 -18.763 605 HA GLU 84 HA GLU 84 3.003 10.251 -19.252 606 1HB GLU 84 2HB GLU 84 0.275 11.558 -19.014 607 2HB GLU 84 1HB GLU 84 1.712 12.249 -19.770 608 1HG GLU 84 2HG GLU 84 1.658 10.112 -21.267 609 2HG GLU 84 1HG GLU 84 -0.019 9.982 -20.735 610 H LEU 85 H LEU 85 1.112 9.687 -16.483 611 HA LEU 85 HA LEU 85 1.879 12.086 -15.014 612 1HB LEU 85 2HB LEU 85 0.635 9.448 -14.222 613 2HB LEU 85 1HB LEU 85 1.069 10.668 -13.026 614 HG LEU 85 HG LEU 85 -0.687 11.251 -15.422 615 1HD1 LEU 85 1HD1 LEU 85 -2.282 11.347 -13.158 616 2HD1 LEU 85 2HD1 LEU 85 -1.290 9.915 -12.884 617 3HD1 LEU 85 3HD1 LEU 85 -2.269 10.042 -14.345 618 1HD2 LEU 85 1HD2 LEU 85 0.509 12.801 -13.253 619 2HD2 LEU 85 2HD2 LEU 85 -1.245 12.981 -13.304 620 3HD2 LEU 85 3HD2 LEU 85 -0.278 13.366 -14.728 621 H GLY 86 H GLY 86 3.291 8.972 -15.648 622 1HA GLY 86 2HA GLY 86 5.675 8.613 -15.308 623 2HA GLY 86 1HA GLY 86 5.621 9.758 -13.967 624 H ILE 87 H ILE 87 3.431 7.026 -14.599 625 HA ILE 87 HA ILE 87 4.543 5.659 -12.197 626 HB ILE 87 HB ILE 87 1.595 6.175 -12.699 627 1HG1 ILE 87 2HG1 ILE 87 2.055 7.299 -10.322 628 2HG1 ILE 87 1HG1 ILE 87 3.681 7.465 -10.985 629 1HG2 ILE 87 1HG2 ILE 87 3.131 4.504 -10.732 630 2HG2 ILE 87 2HG2 ILE 87 1.640 4.122 -11.593 631 3HG2 ILE 87 3HG2 ILE 87 1.610 5.246 -10.234 632 1HD1 ILE 87 1HD1 ILE 87 2.081 8.250 -13.099 633 2HD1 ILE 87 2HD1 ILE 87 2.906 9.342 -11.986 634 3HD1 ILE 87 3HD1 ILE 87 1.223 8.896 -11.701 635 H LYS 88 H LYS 88 3.844 3.349 -12.103 636 HA LYS 88 HA LYS 88 3.712 2.239 -14.844 637 1HB LYS 88 2HB LYS 88 3.968 0.686 -12.262 638 2HB LYS 88 1HB LYS 88 4.442 0.182 -13.885 639 1HG LYS 88 2HG LYS 88 5.747 2.668 -13.197 640 2HG LYS 88 1HG LYS 88 6.067 1.451 -11.961 641 1HD LYS 88 2HD LYS 88 6.648 -0.150 -13.846 642 2HD LYS 88 1HD LYS 88 6.585 1.236 -14.935 643 1HE LYS 88 2HE LYS 88 8.161 1.898 -12.612 644 2HE LYS 88 1HE LYS 88 8.770 0.412 -13.339 645 1HZ LYS 88 1HZ LYS 88 8.822 3.107 -14.349 646 2HZ LYS 88 2HZ LYS 88 8.280 1.967 -15.486 647 3HZ LYS 88 3HZ LYS 88 9.800 1.779 -14.749 648 H ILE 89 H ILE 89 1.882 1.313 -15.658 649 HA ILE 89 HA ILE 89 -0.519 1.271 -13.928 650 HB ILE 89 HB ILE 89 -0.301 0.662 -16.889 651 1HG1 ILE 89 2HG1 ILE 89 -1.074 3.284 -15.577 652 2HG1 ILE 89 1HG1 ILE 89 0.538 2.959 -16.215 653 1HG2 ILE 89 1HG2 ILE 89 -2.364 -0.140 -15.868 654 2HG2 ILE 89 2HG2 ILE 89 -2.721 1.294 -16.831 655 3HG2 ILE 89 3HG2 ILE 89 -2.612 1.415 -15.074 656 1HD1 ILE 89 1HD1 ILE 89 -0.990 2.197 -18.333 657 2HD1 ILE 89 2HD1 ILE 89 -0.332 3.822 -18.141 658 3HD1 ILE 89 3HD1 ILE 89 -1.994 3.480 -17.660 659 H TYR 90 H TYR 90 -1.891 -0.658 -13.871 660 HA TYR 90 HA TYR 90 -0.547 -3.201 -14.621 661 1HB TYR 90 2HB TYR 90 -0.802 -2.176 -11.927 662 2HB TYR 90 1HB TYR 90 -1.726 -3.669 -12.098 663 HD1 TYR 90 HD1 TYR 90 -0.582 -5.726 -13.048 664 HD2 TYR 90 HD2 TYR 90 1.576 -2.201 -11.867 665 HE1 TYR 90 HE1 TYR 90 1.522 -7.040 -12.968 666 HE2 TYR 90 HE2 TYR 90 3.680 -3.516 -11.788 667 HH TYR 90 HH TYR 90 4.539 -5.609 -11.793 668 H ARG 91 H ARG 91 -2.025 -4.842 -15.132 669 HA ARG 91 HA ARG 91 -4.868 -3.968 -15.245 670 1HB ARG 91 2HB ARG 91 -3.231 -5.993 -16.759 671 2HB ARG 91 1HB ARG 91 -4.991 -6.111 -16.735 672 1HG ARG 91 2HG ARG 91 -3.862 -3.421 -17.304 673 2HG ARG 91 1HG ARG 91 -3.658 -4.639 -18.564 674 1HD ARG 91 2HD ARG 91 -6.178 -5.129 -18.208 675 2HD ARG 91 1HD ARG 91 -6.218 -3.573 -17.378 676 HE ARG 91 HE ARG 91 -4.926 -3.233 -19.902 677 1HH1 ARG 91 1HH2 ARG 91 -7.548 -5.052 -20.049 678 2HH1 ARG 91 2HH2 ARG 91 -8.653 -3.862 -20.650 679 1HH2 ARG 91 2HH1 ARG 91 -6.540 -1.190 -20.006 680 2HH2 ARG 91 1HH1 ARG 91 -8.082 -1.675 -20.626 681 H ALA 92 H ALA 92 -6.292 -4.835 -13.815 682 HA ALA 92 HA ALA 92 -5.405 -6.983 -12.021 683 1HB ALA 92 1HB ALA 92 -8.198 -5.856 -12.112 684 2HB ALA 92 2HB ALA 92 -6.875 -4.914 -11.426 685 3HB ALA 92 3HB ALA 92 -7.301 -6.474 -10.724 686 H THR 93 H THR 93 -5.555 -9.061 -12.723 687 HA THR 93 HA THR 93 -8.093 -9.931 -13.990 688 HB THR 93 HB THR 93 -5.456 -10.803 -15.170 689 HG1 THR 93 HG1 THR 93 -5.449 -8.637 -15.512 690 1HG2 THR 93 1HG2 THR 93 -6.810 -11.487 -17.021 691 2HG2 THR 93 2HG2 THR 93 -8.207 -10.604 -16.407 692 3HG2 THR 93 3HG2 THR 93 -7.638 -12.045 -15.566 693 H GLY 94 H GLY 94 -6.201 -10.308 -11.480 694 1HA GLY 94 2HA GLY 94 -5.679 -13.182 -11.541 695 2HA GLY 94 1HA GLY 94 -5.487 -12.125 -10.142 696 H THR 95 H THR 95 -6.852 -12.663 -8.524 697 HA THR 95 HA THR 95 -9.624 -13.509 -9.257 698 HB THR 95 HB THR 95 -7.763 -14.721 -7.199 699 HG1 THR 95 HG1 THR 95 -9.270 -15.805 -9.343 700 1HG2 THR 95 1HG2 THR 95 -9.980 -16.195 -6.933 701 2HG2 THR 95 2HG2 THR 95 -10.738 -14.663 -7.368 702 3HG2 THR 95 3HG2 THR 95 -9.695 -14.760 -5.948 703 H SER 96 H SER 96 -7.606 -12.486 -6.480 704 HA SER 96 HA SER 96 -9.735 -10.522 -5.796 705 1HB SER 96 2HB SER 96 -8.464 -11.822 -3.473 706 2HB SER 96 1HB SER 96 -10.150 -11.383 -3.732 707 HG SER 96 HG SER 96 -8.755 -13.626 -4.780 708 H VAL 97 H VAL 97 -8.914 -8.613 -4.891 709 HA VAL 97 HA VAL 97 -6.379 -7.704 -5.521 710 HB VAL 97 HB VAL 97 -6.646 -6.097 -3.574 711 1HG1 VAL 97 1HG1 VAL 97 -7.742 -4.974 -5.189 712 2HG1 VAL 97 2HG1 VAL 97 -9.238 -5.716 -4.622 713 3HG1 VAL 97 3HG1 VAL 97 -8.308 -6.482 -5.910 714 1HG2 VAL 97 1HG2 VAL 97 -8.966 -6.242 -2.501 715 2HG2 VAL 97 2HG2 VAL 97 -7.794 -7.448 -1.968 716 3HG2 VAL 97 3HG2 VAL 97 -9.046 -7.887 -3.131 717 H GLU 98 H GLU 98 -7.281 -9.813 -2.884 718 HA GLU 98 HA GLU 98 -4.921 -9.506 -1.285 719 1HB GLU 98 2HB GLU 98 -7.230 -10.880 -0.963 720 2HB GLU 98 1HB GLU 98 -6.168 -12.200 -1.456 721 1HG GLU 98 2HG GLU 98 -5.920 -12.133 0.892 722 2HG GLU 98 1HG GLU 98 -4.512 -11.253 0.295 723 H GLU 99 H GLU 99 -5.747 -11.935 -3.787 724 HA GLU 99 HA GLU 99 -3.169 -13.187 -3.784 725 1HB GLU 99 2HB GLU 99 -5.529 -13.795 -4.951 726 2HB GLU 99 1HB GLU 99 -4.696 -13.088 -6.336 727 1HG GLU 99 2HG GLU 99 -4.239 -15.477 -6.292 728 2HG GLU 99 1HG GLU 99 -2.759 -14.610 -5.881 729 H ASN 100 H ASN 100 -4.515 -10.453 -5.589 730 HA ASN 100 HA ASN 100 -2.323 -10.116 -7.400 731 1HB ASN 100 2HB ASN 100 -4.460 -8.282 -6.328 732 2HB ASN 100 1HB ASN 100 -3.178 -7.655 -7.365 733 1HD2 ASN 100 1HD2 ASN 100 -4.609 -7.276 -9.188 734 2HD2 ASN 100 2HD2 ASN 100 -5.294 -8.556 -10.067 735 H LEU 101 H LEU 101 -2.840 -9.145 -4.064 736 HA LEU 101 HA LEU 101 -0.825 -7.180 -3.796 737 1HB LEU 101 2HB LEU 101 -2.459 -7.791 -2.013 738 2HB LEU 101 1HB LEU 101 -1.587 -9.304 -1.768 739 HG LEU 101 HG LEU 101 0.492 -7.656 -1.542 740 1HD1 LEU 101 1HD1 LEU 101 -0.192 -5.578 -0.383 741 2HD1 LEU 101 2HD1 LEU 101 -1.884 -5.982 -0.672 742 3HD1 LEU 101 3HD1 LEU 101 -0.817 -5.628 -2.031 743 1HD2 LEU 101 1HD2 LEU 101 0.191 -8.948 0.334 744 2HD2 LEU 101 2HD2 LEU 101 -1.544 -8.637 0.395 745 3HD2 LEU 101 3HD2 LEU 101 -0.410 -7.427 0.994 746 H LYS 102 H LYS 102 -0.540 -10.698 -3.162 747 HA LYS 102 HA LYS 102 2.367 -10.530 -3.007 748 1HB LYS 102 2HB LYS 102 0.375 -12.800 -3.037 749 2HB LYS 102 1HB LYS 102 2.111 -13.106 -3.114 750 1HG LYS 102 2HG LYS 102 2.479 -12.015 -1.002 751 2HG LYS 102 1HG LYS 102 0.825 -11.403 -0.965 752 1HD LYS 102 2HD LYS 102 0.144 -13.918 -1.094 753 2HD LYS 102 1HD LYS 102 1.799 -14.223 -0.565 754 1HE LYS 102 2HE LYS 102 1.244 -12.411 1.262 755 2HE LYS 102 1HE LYS 102 -0.427 -12.836 0.895 756 1HZ LYS 102 1HZ LYS 102 0.165 -15.177 1.288 757 2HZ LYS 102 2HZ LYS 102 0.373 -14.210 2.670 758 3HZ LYS 102 3HZ LYS 102 1.721 -14.693 1.758 759 H LEU 103 H LEU 103 0.093 -10.718 -5.544 760 HA LEU 103 HA LEU 103 1.763 -12.192 -7.423 761 1HB LEU 103 2HB LEU 103 -0.890 -11.554 -7.364 762 2HB LEU 103 1HB LEU 103 -0.283 -10.352 -8.505 763 HG LEU 103 HG LEU 103 0.788 -12.139 -9.826 764 1HD1 LEU 103 1HD1 LEU 103 1.104 -14.211 -8.996 765 2HD1 LEU 103 2HD1 LEU 103 -0.606 -14.372 -8.599 766 3HD1 LEU 103 3HD1 LEU 103 0.496 -13.608 -7.453 767 1HD2 LEU 103 1HD2 LEU 103 -2.148 -12.589 -9.200 768 2HD2 LEU 103 2HD2 LEU 103 -1.316 -13.255 -10.606 769 3HD2 LEU 103 3HD2 LEU 103 -1.489 -11.509 -10.430 770 H PHE 104 H PHE 104 1.497 -8.883 -6.380 771 HA PHE 104 HA PHE 104 2.771 -7.739 -8.735 772 1HB PHE 104 2HB PHE 104 1.311 -6.436 -7.153 773 2HB PHE 104 1HB PHE 104 2.582 -6.575 -5.939 774 HD1 PHE 104 HD1 PHE 104 1.443 -4.819 -8.892 775 HD2 PHE 104 HD2 PHE 104 4.885 -5.637 -6.451 776 HE1 PHE 104 HE1 PHE 104 2.616 -2.876 -9.894 777 HE2 PHE 104 HE2 PHE 104 6.058 -3.694 -7.455 778 HZ PHE 104 HZ PHE 104 4.923 -2.314 -9.176 779 H THR 105 H THR 105 3.842 -9.283 -5.812 780 HA THR 105 HA THR 105 6.544 -8.212 -5.859 781 HB THR 105 HB THR 105 5.845 -10.857 -4.614 782 HG1 THR 105 HG1 THR 105 4.194 -9.808 -3.790 783 1HG2 THR 105 1HG2 THR 105 8.055 -10.300 -4.155 784 2HG2 THR 105 2HG2 THR 105 7.233 -9.594 -2.764 785 3HG2 THR 105 3HG2 THR 105 7.719 -8.569 -4.115 786 H GLU 106 H GLU 106 4.909 -11.030 -7.216 787 HA GLU 106 HA GLU 106 7.462 -12.105 -8.251 788 1HB GLU 106 2HB GLU 106 4.805 -13.224 -9.050 789 2HB GLU 106 1HB GLU 106 6.312 -14.066 -8.687 790 1HG GLU 106 2HG GLU 106 5.874 -13.048 -6.262 791 2HG GLU 106 1HG GLU 106 4.202 -13.065 -6.822 792 H GLY 107 H GLY 107 5.396 -9.698 -9.172 793 1HA GLY 107 2HA GLY 107 4.975 -8.629 -11.220 794 2HA GLY 107 1HA GLY 107 6.506 -9.334 -11.741 795 H ASN 108 H ASN 108 3.606 -11.120 -10.756 796 HA ASN 108 HA ASN 108 3.726 -12.648 -13.257 797 1HB ASN 108 2HB ASN 108 2.768 -13.122 -10.643 798 2HB ASN 108 1HB ASN 108 1.350 -13.156 -11.692 799 1HD2 ASN 108 1HD2 ASN 108 4.744 -14.405 -11.698 800 2HD2 ASN 108 2HD2 ASN 108 4.344 -15.898 -12.400 801 H LEU 109 H LEU 109 1.941 -9.950 -11.982 802 HA LEU 109 HA LEU 109 -0.232 -10.209 -13.943 803 1HB LEU 109 2HB LEU 109 0.422 -8.418 -11.671 804 2HB LEU 109 1HB LEU 109 -0.485 -7.679 -12.991 805 HG LEU 109 HG LEU 109 -1.381 -10.366 -12.061 806 1HD1 LEU 109 1HD1 LEU 109 -2.840 -8.627 -10.473 807 2HD1 LEU 109 2HD1 LEU 109 -1.196 -8.007 -10.329 808 3HD1 LEU 109 3HD1 LEU 109 -1.546 -9.684 -9.908 809 1HD2 LEU 109 1HD2 LEU 109 -3.332 -9.729 -13.064 810 2HD2 LEU 109 2HD2 LEU 109 -2.305 -8.539 -13.864 811 3HD2 LEU 109 3HD2 LEU 109 -3.234 -8.085 -12.434 812 H GLU 110 H GLU 110 -0.633 -8.426 -15.531 813 HA GLU 110 HA GLU 110 1.891 -7.729 -16.883 814 1HB GLU 110 2HB GLU 110 0.088 -8.588 -18.268 815 2HB GLU 110 1HB GLU 110 -1.012 -7.345 -17.669 816 1HG GLU 110 2HG GLU 110 0.564 -5.612 -18.601 817 2HG GLU 110 1HG GLU 110 1.469 -6.926 -19.355 818 H GLU 111 H GLU 111 2.558 -5.594 -17.311 819 HA GLU 111 HA GLU 111 1.016 -3.416 -15.979 820 1HB GLU 111 2HB GLU 111 3.090 -2.489 -15.051 821 2HB GLU 111 1HB GLU 111 2.855 -4.135 -14.463 822 1HG GLU 111 2HG GLU 111 4.307 -4.868 -16.461 823 2HG GLU 111 1HG GLU 111 4.758 -3.168 -16.598 824 H ILE 112 H ILE 112 2.274 -1.220 -16.656 825 HA ILE 112 HA ILE 112 3.315 -1.411 -19.416 826 HB ILE 112 HB ILE 112 0.986 0.427 -18.873 827 1HG1 ILE 112 2HG1 ILE 112 0.903 -2.421 -19.924 828 2HG1 ILE 112 1HG1 ILE 112 0.195 -1.850 -18.413 829 1HG2 ILE 112 1HG2 ILE 112 2.539 0.732 -20.855 830 2HG2 ILE 112 2HG2 ILE 112 0.843 0.496 -21.276 831 3HG2 ILE 112 3HG2 ILE 112 1.986 -0.837 -21.438 832 1HD1 ILE 112 1HD1 ILE 112 -0.566 -0.737 -21.123 833 2HD1 ILE 112 2HD1 ILE 112 -1.377 -0.453 -19.584 834 3HD1 ILE 112 3HD1 ILE 112 -1.443 -2.047 -20.335 835 H ARG 113 H ARG 113 4.952 0.033 -19.614 836 HA ARG 113 HA ARG 113 4.957 2.390 -17.767 837 1HB ARG 113 2HB ARG 113 7.451 1.169 -18.944 838 2HB ARG 113 1HB ARG 113 7.294 2.192 -17.516 839 1HG ARG 113 2HG ARG 113 7.533 0.112 -16.515 840 2HG ARG 113 1HG ARG 113 5.776 0.202 -16.652 841 1HD ARG 113 2HD ARG 113 5.749 -1.594 -18.005 842 2HD ARG 113 1HD ARG 113 6.879 -0.815 -19.112 843 HE ARG 113 HE ARG 113 7.773 -2.379 -16.721 844 1HH1 ARG 113 1HH2 ARG 113 8.928 -0.512 -19.223 845 2HH1 ARG 113 2HH2 ARG 113 9.999 -1.708 -19.873 846 1HH2 ARG 113 2HH1 ARG 113 8.786 -4.268 -17.874 847 2HH2 ARG 113 1HH1 ARG 113 9.919 -3.833 -19.109 848 H SER 114 H SER 114 6.785 1.442 -20.697 849 HA SER 114 HA SER 114 5.563 3.518 -22.317 850 1HB SER 114 2HB SER 114 7.014 4.923 -20.892 851 2HB SER 114 1HB SER 114 8.407 3.948 -21.348 852 HG SER 114 HG SER 114 7.245 5.990 -22.658 853 HA PRO 115 HA PRO 115 7.799 0.078 -24.473 854 1HB PRO 115 2HB PRO 115 5.553 -1.035 -25.598 855 2HB PRO 115 1HB PRO 115 6.192 -1.508 -24.015 856 1HG PRO 115 2HG PRO 115 3.792 0.141 -24.653 857 2HG PRO 115 1HG PRO 115 4.129 -0.845 -23.219 858 1HD PRO 115 2HD PRO 115 4.354 1.978 -23.396 859 2HD PRO 115 1HD PRO 115 4.967 0.956 -22.078 860 H GLY 116 H GLY 116 6.399 2.922 -25.217 861 1HA GLY 116 2HA GLY 116 7.459 3.282 -27.748 862 2HA GLY 116 1HA GLY 116 5.869 2.581 -28.057 863 H SER 117 H SER 117 6.630 5.240 -28.815 864 HA SER 117 HA SER 117 5.912 7.315 -27.082 865 1HB SER 117 2HB SER 117 6.632 7.341 -29.615 866 2HB SER 117 1HB SER 117 4.896 7.342 -29.910 867 HG SER 117 HG SER 117 6.493 9.232 -28.550 868 H GLY 118 H GLY 118 3.647 5.765 -29.394 869 1HA GLY 118 2HA GLY 118 1.531 4.889 -28.186 870 2HA GLY 118 1HA GLY 118 1.437 6.526 -27.535 871 H ARG 119 H ARG 119 0.072 7.827 -28.639 872 HA ARG 119 HA ARG 119 -1.363 7.214 -30.924 873 1HB ARG 119 2HB ARG 119 -1.631 9.265 -29.444 874 2HB ARG 119 1HB ARG 119 -0.323 10.004 -30.372 875 1HG ARG 119 2HG ARG 119 -1.892 10.666 -31.852 876 2HG ARG 119 1HG ARG 119 -2.047 8.971 -32.314 877 1HD ARG 119 2HD ARG 119 -4.221 9.266 -31.679 878 2HD ARG 119 1HD ARG 119 -3.570 9.003 -30.061 879 HE ARG 119 HE ARG 119 -3.365 11.784 -30.754 880 1HH1 ARG 119 2HH1 ARG 119 -4.653 9.955 -28.428 881 2HH1 ARG 119 1HH1 ARG 119 -6.194 10.741 -28.330 882 1HH2 ARG 119 1HH2 ARG 119 -5.765 12.533 -31.267 883 2HH2 ARG 119 2HH2 ARG 119 -6.825 12.200 -29.937 884 H GLY 120 H GLY 120 -1.061 7.485 -33.166 885 1HA GLY 120 2HA GLY 120 1.500 8.557 -34.154 886 2HA GLY 120 1HA GLY 120 1.234 6.836 -34.441 887 H ARG 121 H ARG 121 1.313 7.530 -36.765 888 HA ARG 121 HA ARG 121 -1.394 8.456 -37.639 889 1HB ARG 121 2HB ARG 121 1.244 9.561 -38.255 890 2HB ARG 121 1HB ARG 121 0.333 9.143 -39.706 891 1HG ARG 121 2HG ARG 121 -1.196 10.529 -37.573 892 2HG ARG 121 1HG ARG 121 0.027 11.496 -38.399 893 1HD ARG 121 2HD ARG 121 -1.392 11.753 -40.123 894 2HD ARG 121 1HD ARG 121 -1.316 10.014 -40.406 895 HE ARG 121 HE ARG 121 -3.237 9.852 -38.733 896 1HH1 ARG 121 1HH2 ARG 121 -2.951 12.086 -41.240 897 2HH1 ARG 121 2HH2 ARG 121 -4.361 12.998 -40.817 898 1HH2 ARG 121 2HH1 ARG 121 -4.884 11.308 -37.836 899 2HH2 ARG 121 1HH1 ARG 121 -5.454 12.559 -38.890 900 H ARG 122 H ARG 122 -2.369 6.796 -38.688 901 HA ARG 122 HA ARG 122 -0.984 5.370 -40.819 902 1HB ARG 122 2HB ARG 122 -0.896 4.273 -38.186 903 2HB ARG 122 1HB ARG 122 -1.992 3.277 -39.143 904 1HG ARG 122 2HG ARG 122 -0.332 2.555 -40.544 905 2HG ARG 122 1HG ARG 122 0.527 4.095 -40.485 906 1HD ARG 122 2HD ARG 122 1.415 3.581 -38.287 907 2HD ARG 122 1HD ARG 122 0.439 2.116 -38.191 908 HE ARG 122 HE ARG 122 1.942 1.732 -40.476 909 1HH1 ARG 122 2HH1 ARG 122 3.827 3.601 -38.876 910 2HH1 ARG 122 1HH1 ARG 122 4.854 2.429 -38.123 911 1HH2 ARG 122 1HH2 ARG 122 2.739 -0.240 -38.782 912 2HH2 ARG 122 2HH2 ARG 122 4.239 0.254 -38.068 913 H ARG 123 H ARG 123 -2.722 3.166 -41.000 914 HA ARG 123 HA ARG 123 -5.444 4.376 -40.999 915 1HB ARG 123 2HB ARG 123 -3.971 3.205 -43.365 916 2HB ARG 123 1HB ARG 123 -5.731 3.318 -43.324 917 1HG ARG 123 2HG ARG 123 -5.252 5.356 -44.297 918 2HG ARG 123 1HG ARG 123 -5.183 5.828 -42.599 919 1HD ARG 123 2HD ARG 123 -3.046 6.463 -42.894 920 2HD ARG 123 1HD ARG 123 -2.628 4.787 -43.255 921 HE ARG 123 HE ARG 123 -3.065 6.924 -45.231 922 1HH1 ARG 123 1HH2 ARG 123 -0.823 4.860 -45.195 923 2HH1 ARG 123 2HH2 ARG 123 -1.288 3.838 -46.513 924 1HH2 ARG 123 2HH1 ARG 123 -4.534 5.048 -46.655 925 2HH2 ARG 123 1HH1 ARG 123 -3.389 3.945 -47.341 926 H ARG 124 HN ARG 124 -7.053 2.891 -40.531 927 HA ARG 124 HA ARG 124 -6.351 0.000 -40.574 928 1HB ARG 124 2HB ARG 124 -5.903 0.827 -38.278 929 2HB ARG 124 1HB ARG 124 -7.560 1.427 -38.184 930 1HG ARG 124 2HG ARG 124 -8.387 -0.891 -38.579 931 2HG ARG 124 1HG ARG 124 -6.718 -1.463 -38.551 932 1HD ARG 124 2HD ARG 124 -6.796 -1.572 -36.307 933 2HD ARG 124 1HD ARG 124 -7.114 0.161 -36.240 934 HE ARG 124 HE ARG 124 -9.507 -1.370 -36.855 935 1HH1 ARG 124 1HH1 ARG 124 -8.212 -2.497 -34.305 936 2HH1 ARG 124 2HH1 ARG 124 -9.034 -1.574 -33.092 937 1HH2 ARG 124 1HH2 ARG 124 -10.220 0.798 -35.328 938 2HH2 ARG 124 2HH2 ARG 124 -10.170 0.294 -33.671 Start of MODEL 19 1 1H MET 1 1H MET 1 8.474 3.227 -4.851 2 2H MET 1 2H MET 1 8.967 3.000 -3.240 3 3H MET 1 3H MET 1 7.371 3.467 -3.585 4 HA MET 1 HA MET 1 7.650 1.184 -5.023 5 1HB MET 1 2HB MET 1 9.561 1.227 -2.817 6 2HB MET 1 1HB MET 1 8.415 -0.106 -2.673 7 1HG MET 1 2HG MET 1 9.324 0.221 -5.418 8 2HG MET 1 1HG MET 1 10.676 -0.040 -4.316 9 1HE MET 1 1HE MET 1 10.632 -1.715 -6.262 10 2HE MET 1 2HE MET 1 9.053 -2.355 -6.710 11 3HE MET 1 3HE MET 1 10.233 -3.405 -5.927 12 H LYS 2 H LYS 2 5.387 1.649 -4.863 13 HA LYS 2 HA LYS 2 4.145 0.547 -2.412 14 1HB LYS 2 2HB LYS 2 3.115 3.148 -3.548 15 2HB LYS 2 1HB LYS 2 2.768 2.421 -1.978 16 1HG LYS 2 2HG LYS 2 5.143 2.766 -1.321 17 2HG LYS 2 1HG LYS 2 5.432 3.566 -2.865 18 1HD LYS 2 2HD LYS 2 3.999 5.377 -2.326 19 2HD LYS 2 1HD LYS 2 3.257 4.496 -0.990 20 1HE LYS 2 2HE LYS 2 5.123 4.774 0.402 21 2HE LYS 2 1HE LYS 2 6.210 5.075 -0.954 22 1HZ LYS 2 1HZ LYS 2 3.982 6.925 -0.476 23 2HZ LYS 2 2HZ LYS 2 5.504 7.224 -1.169 24 3HZ LYS 2 3HZ LYS 2 5.356 7.032 0.513 25 H ILE 3 H ILE 3 2.561 -0.849 -3.031 26 HA ILE 3 HA ILE 3 1.477 -0.553 -5.803 27 HB ILE 3 HB ILE 3 1.635 -3.031 -4.062 28 1HG1 ILE 3 2HG1 ILE 3 3.148 -2.990 -6.564 29 2HG1 ILE 3 1HG1 ILE 3 3.682 -1.738 -5.442 30 1HG2 ILE 3 1HG2 ILE 3 1.072 -4.168 -6.235 31 2HG2 ILE 3 2HG2 ILE 3 0.765 -2.575 -6.929 32 3HG2 ILE 3 3HG2 ILE 3 -0.231 -3.165 -5.599 33 1HD1 ILE 3 1HD1 ILE 3 3.485 -4.712 -4.902 34 2HD1 ILE 3 2HD1 ILE 3 3.783 -3.511 -3.645 35 3HD1 ILE 3 3HD1 ILE 3 4.950 -3.731 -4.950 36 H ALA 4 H ALA 4 -0.560 0.253 -5.816 37 HA ALA 4 HA ALA 4 -2.320 -0.334 -3.474 38 1HB ALA 4 1HB ALA 4 -2.078 2.034 -3.766 39 2HB ALA 4 2HB ALA 4 -3.671 1.621 -4.402 40 3HB ALA 4 3HB ALA 4 -2.328 1.909 -5.507 41 H ILE 5 H ILE 5 -4.420 -1.162 -3.862 42 HA ILE 5 HA ILE 5 -4.847 -2.183 -6.643 43 HB ILE 5 HB ILE 5 -6.127 -3.377 -4.191 44 1HG1 ILE 5 2HG1 ILE 5 -3.790 -3.426 -3.632 45 2HG1 ILE 5 1HG1 ILE 5 -4.189 -5.028 -4.252 46 1HG2 ILE 5 1HG2 ILE 5 -5.514 -5.373 -5.970 47 2HG2 ILE 5 2HG2 ILE 5 -5.806 -4.012 -7.053 48 3HG2 ILE 5 3HG2 ILE 5 -7.058 -4.522 -5.922 49 1HD1 ILE 5 1HD1 ILE 5 -3.508 -3.514 -6.518 50 2HD1 ILE 5 2HD1 ILE 5 -2.533 -4.771 -5.757 51 3HD1 ILE 5 3HD1 ILE 5 -2.310 -3.082 -5.297 52 H ALA 6 H ALA 6 -6.523 -1.209 -7.667 53 HA ALA 6 HA ALA 6 -8.214 0.738 -6.612 54 1HB ALA 6 1HB ALA 6 -8.868 -1.279 -8.783 55 2HB ALA 6 2HB ALA 6 -8.078 0.280 -9.019 56 3HB ALA 6 3HB ALA 6 -9.758 0.213 -8.489 57 H SER 7 H SER 7 -10.254 0.719 -5.609 58 HA SER 7 HA SER 7 -11.844 -0.132 -4.100 59 1HB SER 7 2HB SER 7 -12.950 -0.971 -6.034 60 2HB SER 7 1HB SER 7 -11.741 -2.230 -6.274 61 HG SER 7 HG SER 7 -13.828 -2.054 -4.405 62 H SER 8 H SER 8 -10.887 -3.405 -4.892 63 HA SER 8 HA SER 8 -9.800 -5.045 -3.611 64 1HB SER 8 2HB SER 8 -8.131 -2.937 -3.460 65 2HB SER 8 1HB SER 8 -8.604 -3.036 -1.765 66 HG SER 8 HG SER 8 -6.748 -4.351 -2.454 67 H GLY 9 H GLY 9 -12.255 -3.213 -2.645 68 1HA GLY 9 2HA GLY 9 -13.638 -3.124 -0.736 69 2HA GLY 9 1HA GLY 9 -13.272 -4.848 -0.660 70 H THR 10 H THR 10 -12.683 -5.334 1.397 71 HA THR 10 HA THR 10 -10.862 -3.419 2.801 72 HB THR 10 HB THR 10 -11.915 -5.157 4.719 73 HG1 THR 10 HG1 THR 10 -13.735 -5.793 3.929 74 1HG2 THR 10 1HG2 THR 10 -11.743 -2.410 4.195 75 2HG2 THR 10 2HG2 THR 10 -12.297 -3.163 5.690 76 3HG2 THR 10 3HG2 THR 10 -13.462 -2.717 4.444 77 H ASP 11 H ASP 11 -11.135 -6.543 1.442 78 HA ASP 11 HA ASP 11 -8.409 -7.198 2.123 79 1HB ASP 11 2HB ASP 11 -10.434 -7.978 4.009 80 2HB ASP 11 1HB ASP 11 -9.757 -9.423 3.258 81 H LEU 12 H LEU 12 -11.312 -9.263 1.722 82 HA LEU 12 HA LEU 12 -10.121 -10.175 -0.869 83 1HB LEU 12 2HB LEU 12 -10.347 -11.743 1.324 84 2HB LEU 12 1HB LEU 12 -11.934 -12.011 0.601 85 HG LEU 12 HG LEU 12 -10.313 -12.181 -1.597 86 1HD1 LEU 12 1HD1 LEU 12 -8.769 -12.999 0.846 87 2HD1 LEU 12 2HD1 LEU 12 -8.203 -12.160 -0.599 88 3HD1 LEU 12 3HD1 LEU 12 -8.543 -13.890 -0.658 89 1HD2 LEU 12 1HD2 LEU 12 -10.594 -14.697 -0.054 90 2HD2 LEU 12 2HD2 LEU 12 -11.148 -14.308 -1.683 91 3HD2 LEU 12 3HD2 LEU 12 -12.085 -13.782 -0.284 92 H GLY 13 H GLY 13 -12.945 -9.067 0.824 93 1HA GLY 13 2HA GLY 13 -15.102 -9.912 -0.667 94 2HA GLY 13 1HA GLY 13 -14.958 -8.247 -0.106 95 H SER 14 H SER 14 -12.748 -7.430 -1.659 96 HA SER 14 HA SER 14 -14.075 -6.983 -4.215 97 1HB SER 14 2HB SER 14 -12.805 -5.157 -3.288 98 2HB SER 14 1HB SER 14 -11.367 -6.163 -3.134 99 HG SER 14 HG SER 14 -10.921 -5.536 -5.082 100 H GLU 15 H GLU 15 -14.149 -9.170 -5.040 101 HA GLU 15 HA GLU 15 -11.787 -10.769 -5.431 102 1HB GLU 15 2HB GLU 15 -14.576 -10.798 -6.561 103 2HB GLU 15 1HB GLU 15 -13.334 -11.843 -7.252 104 1HG GLU 15 2HG GLU 15 -13.059 -12.136 -4.476 105 2HG GLU 15 1HG GLU 15 -14.799 -12.142 -4.765 106 H VAL 16 H VAL 16 -10.287 -9.229 -6.345 107 HA VAL 16 HA VAL 16 -9.094 -8.398 -8.194 108 HB VAL 16 HB VAL 16 -11.227 -9.295 -10.095 109 1HG1 VAL 16 1HG1 VAL 16 -8.839 -10.217 -11.003 110 2HG1 VAL 16 2HG1 VAL 16 -8.294 -8.852 -10.028 111 3HG1 VAL 16 3HG1 VAL 16 -9.441 -8.595 -11.342 112 1HG2 VAL 16 1HG2 VAL 16 -9.804 -11.575 -9.863 113 2HG2 VAL 16 2HG2 VAL 16 -11.291 -11.294 -8.958 114 3HG2 VAL 16 3HG2 VAL 16 -9.727 -11.022 -8.189 115 H SER 17 H SER 17 -11.224 -6.921 -6.773 116 HA SER 17 HA SER 17 -12.276 -4.832 -6.965 117 1HB SER 17 2HB SER 17 -11.263 -3.294 -8.370 118 2HB SER 17 1HB SER 17 -10.012 -4.533 -8.332 119 HG SER 17 HG SER 17 -10.307 -4.347 -10.438 120 H ARG 18 H ARG 18 -13.298 -3.558 -9.277 121 HA ARG 18 HA ARG 18 -14.917 -5.527 -10.746 122 1HB ARG 18 2HB ARG 18 -16.130 -5.169 -8.568 123 2HB ARG 18 1HB ARG 18 -16.273 -3.462 -8.987 124 1HG ARG 18 2HG ARG 18 -17.617 -3.942 -10.899 125 2HG ARG 18 1HG ARG 18 -17.242 -5.664 -10.818 126 1HD ARG 18 2HD ARG 18 -18.502 -4.438 -8.411 127 2HD ARG 18 1HD ARG 18 -19.527 -4.659 -9.829 128 HE ARG 18 HE ARG 18 -18.023 -6.915 -8.563 129 1HH1 ARG 18 1HH2 ARG 18 -19.445 -7.101 -11.294 130 2HH1 ARG 18 2HH2 ARG 18 -20.923 -7.874 -10.827 131 1HH2 ARG 18 2HH1 ARG 18 -20.497 -7.239 -7.444 132 2HH2 ARG 18 1HH1 ARG 18 -21.519 -7.952 -8.647 133 H PHE 19 H PHE 19 -14.496 -2.086 -9.915 134 HA PHE 19 HA PHE 19 -14.414 -1.465 -12.809 135 1HB PHE 19 2HB PHE 19 -16.797 -1.156 -11.671 136 2HB PHE 19 1HB PHE 19 -16.066 0.336 -11.077 137 HD1 PHE 19 HD1 PHE 19 -16.631 2.181 -12.382 138 HD2 PHE 19 HD2 PHE 19 -15.894 -1.595 -14.298 139 HE1 PHE 19 HE1 PHE 19 -16.978 3.238 -14.600 140 HE2 PHE 19 HE2 PHE 19 -16.242 -0.538 -16.516 141 HZ PHE 19 HZ PHE 19 -16.784 1.878 -16.666 142 H PHE 20 H PHE 20 -13.190 0.433 -13.247 143 HA PHE 20 HA PHE 20 -11.798 1.566 -10.851 144 1HB PHE 20 2HB PHE 20 -10.264 0.235 -12.205 145 2HB PHE 20 1HB PHE 20 -10.742 1.113 -13.657 146 HD1 PHE 20 HD1 PHE 20 -9.282 1.630 -10.246 147 HD2 PHE 20 HD2 PHE 20 -9.618 3.081 -14.278 148 HE1 PHE 20 HE1 PHE 20 -7.574 3.365 -9.764 149 HE2 PHE 20 HE2 PHE 20 -7.911 4.815 -13.796 150 HZ PHE 20 HZ PHE 20 -6.889 4.958 -11.540 151 H GLY 21 H GLY 21 -11.721 3.791 -10.690 152 1HA GLY 21 2HA GLY 21 -11.648 5.876 -12.296 153 2HA GLY 21 1HA GLY 21 -13.252 5.299 -12.748 154 H ARG 22 H ARG 22 -14.571 4.712 -10.562 155 HA ARG 22 HA ARG 22 -14.312 7.128 -8.814 156 1HB ARG 22 2HB ARG 22 -16.848 6.616 -8.432 157 2HB ARG 22 1HB ARG 22 -16.358 7.411 -9.928 158 1HG ARG 22 2HG ARG 22 -16.694 5.508 -11.214 159 2HG ARG 22 1HG ARG 22 -16.420 4.416 -9.856 160 1HD ARG 22 2HD ARG 22 -18.646 4.275 -9.565 161 2HD ARG 22 1HD ARG 22 -18.676 5.996 -9.179 162 HE ARG 22 HE ARG 22 -18.840 6.288 -11.761 163 1HH1 ARG 22 1HH2 ARG 22 -18.964 3.161 -11.860 164 2HH1 ARG 22 2HH2 ARG 22 -20.656 2.946 -12.164 165 1HH2 ARG 22 2HH1 ARG 22 -21.488 6.211 -11.340 166 2HH2 ARG 22 1HH1 ARG 22 -22.085 4.672 -11.867 167 H ALA 23 H ALA 23 -13.436 4.089 -8.690 168 HA ALA 23 HA ALA 23 -14.792 2.819 -6.568 169 1HB ALA 23 1HB ALA 23 -12.372 2.437 -8.015 170 2HB ALA 23 2HB ALA 23 -13.212 1.278 -6.985 171 3HB ALA 23 3HB ALA 23 -11.981 2.337 -6.298 172 HA PRO 24 HA PRO 24 -13.590 5.829 -3.428 173 1HB PRO 24 2HB PRO 24 -15.599 5.127 -1.692 174 2HB PRO 24 1HB PRO 24 -15.832 6.235 -3.056 175 1HG PRO 24 2HG PRO 24 -16.729 3.411 -2.763 176 2HG PRO 24 1HG PRO 24 -17.400 4.701 -3.773 177 1HD PRO 24 2HD PRO 24 -15.719 2.579 -4.648 178 2HD PRO 24 1HD PRO 24 -16.190 4.009 -5.587 179 H TYR 25 H TYR 25 -12.202 3.287 -3.668 180 HA TYR 25 HA TYR 25 -11.561 2.845 -0.846 181 1HB TYR 25 2HB TYR 25 -13.306 1.021 -2.318 182 2HB TYR 25 1HB TYR 25 -11.860 0.212 -1.712 183 HD1 TYR 25 HD1 TYR 25 -11.180 1.031 0.785 184 HD2 TYR 25 HD2 TYR 25 -15.138 1.074 -0.890 185 HE1 TYR 25 HE1 TYR 25 -12.147 1.005 3.069 186 HE2 TYR 25 HE2 TYR 25 -16.106 1.049 1.396 187 HH TYR 25 HH TYR 25 -15.446 0.373 3.660 188 H PHE 26 H PHE 26 -9.670 3.855 -2.137 189 HA PHE 26 HA PHE 26 -8.220 2.012 -3.896 190 1HB PHE 26 2HB PHE 26 -8.237 4.767 -3.558 191 2HB PHE 26 1HB PHE 26 -6.694 4.281 -2.854 192 HD1 PHE 26 HD1 PHE 26 -8.402 5.023 -5.879 193 HD2 PHE 26 HD2 PHE 26 -5.299 2.537 -4.248 194 HE1 PHE 26 HE1 PHE 26 -7.462 4.704 -8.153 195 HE2 PHE 26 HE2 PHE 26 -4.358 2.219 -6.523 196 HZ PHE 26 HZ PHE 26 -5.440 3.303 -8.475 197 H MET 27 H MET 27 -7.171 0.314 -2.985 198 HA MET 27 HA MET 27 -6.222 0.463 -0.204 199 1HB MET 27 2HB MET 27 -7.157 -1.598 -1.764 200 2HB MET 27 1HB MET 27 -5.414 -1.859 -1.830 201 1HG MET 27 2HG MET 27 -5.644 -1.375 0.798 202 2HG MET 27 1HG MET 27 -7.265 -2.003 0.502 203 1HE MET 27 1HE MET 27 -7.027 -3.688 2.029 204 2HE MET 27 2HE MET 27 -5.330 -3.783 2.492 205 3HE MET 27 3HE MET 27 -6.145 -5.213 1.861 206 H ILE 28 H ILE 28 -4.028 0.455 0.408 207 HA ILE 28 HA ILE 28 -2.013 0.589 -1.777 208 HB ILE 28 HB ILE 28 -2.096 2.584 0.501 209 1HG1 ILE 28 2HG1 ILE 28 -2.843 3.059 -2.398 210 2HG1 ILE 28 1HG1 ILE 28 -4.034 2.778 -1.128 211 1HG2 ILE 28 1HG2 ILE 28 -0.514 2.443 -2.085 212 2HG2 ILE 28 2HG2 ILE 28 0.124 2.155 -0.466 213 3HG2 ILE 28 3HG2 ILE 28 -0.441 3.764 -0.919 214 1HD1 ILE 28 1HD1 ILE 28 -2.707 4.699 0.111 215 2HD1 ILE 28 2HD1 ILE 28 -3.920 5.100 -1.105 216 3HD1 ILE 28 3HD1 ILE 28 -2.207 5.121 -1.527 217 H VAL 29 H VAL 29 -0.326 -0.713 -1.282 218 HA VAL 29 HA VAL 29 0.189 -1.301 1.605 219 HB VAL 29 HB VAL 29 0.547 -3.212 -0.723 220 1HG1 VAL 29 1HG1 VAL 29 0.952 -4.871 0.998 221 2HG1 VAL 29 2HG1 VAL 29 0.589 -3.702 2.268 222 3HG1 VAL 29 3HG1 VAL 29 2.037 -3.509 1.280 223 1HG2 VAL 29 1HG2 VAL 29 -1.621 -3.792 -0.505 224 2HG2 VAL 29 2HG2 VAL 29 -1.837 -2.412 0.570 225 3HG2 VAL 29 3HG2 VAL 29 -1.429 -3.992 1.237 226 H GLU 30 H GLU 30 2.242 -0.845 2.236 227 HA GLU 30 HA GLU 30 4.224 -0.161 0.126 228 1HB GLU 30 2HB GLU 30 4.254 0.352 3.118 229 2HB GLU 30 1HB GLU 30 5.480 0.906 1.978 230 1HG GLU 30 2HG GLU 30 4.093 2.498 1.043 231 2HG GLU 30 1HG GLU 30 2.628 1.582 1.395 232 H MET 31 H MET 31 6.540 -0.850 0.647 233 HA MET 31 HA MET 31 6.595 -3.489 2.045 234 1HB MET 31 2HB MET 31 7.406 -2.824 -0.764 235 2HB MET 31 1HB MET 31 8.329 -4.041 0.118 236 1HG MET 31 2HG MET 31 6.408 -5.414 0.436 237 2HG MET 31 1HG MET 31 5.312 -4.122 -0.050 238 1HE MET 31 1HE MET 31 5.265 -7.120 -1.221 239 2HE MET 31 2HE MET 31 4.829 -6.697 -2.874 240 3HE MET 31 3HE MET 31 4.122 -5.805 -1.529 241 H LYS 32 H LYS 32 8.443 -3.818 3.265 242 HA LYS 32 HA LYS 32 10.336 -1.529 3.398 243 1HB LYS 32 2HB LYS 32 9.147 -2.447 5.470 244 2HB LYS 32 1HB LYS 32 10.172 -3.872 5.304 245 1HG LYS 32 2HG LYS 32 12.175 -2.556 5.553 246 2HG LYS 32 1HG LYS 32 11.260 -1.051 5.459 247 1HD LYS 32 2HD LYS 32 10.291 -2.868 7.552 248 2HD LYS 32 1HD LYS 32 11.956 -2.339 7.801 249 1HE LYS 32 2HE LYS 32 9.839 -0.337 7.054 250 2HE LYS 32 1HE LYS 32 10.007 -0.860 8.730 251 1HZ LYS 32 1HZ LYS 32 11.821 0.721 7.084 252 2HZ LYS 32 2HZ LYS 32 12.532 -0.374 8.171 253 3HZ LYS 32 3HZ LYS 32 11.483 0.834 8.741 254 H LYS 33 H LYS 33 10.360 -5.100 3.252 255 HA LYS 33 HA LYS 33 12.848 -4.962 1.660 256 1HB LYS 33 2HB LYS 33 12.639 -6.061 4.432 257 2HB LYS 33 1HB LYS 33 13.628 -6.948 3.273 258 1HG LYS 33 2HG LYS 33 14.641 -4.596 2.729 259 2HG LYS 33 1HG LYS 33 13.984 -4.145 4.302 260 1HD LYS 33 2HD LYS 33 15.567 -6.677 4.097 261 2HD LYS 33 1HD LYS 33 16.436 -5.143 4.096 262 1HE LYS 33 2HE LYS 33 14.460 -6.064 6.205 263 2HE LYS 33 1HE LYS 33 16.212 -5.983 6.392 264 1HZ LYS 33 1HZ LYS 33 15.822 -3.524 5.662 265 2HZ LYS 33 2HZ LYS 33 15.588 -3.992 7.280 266 3HZ LYS 33 3HZ LYS 33 14.254 -3.805 6.244 267 H GLY 34 H GLY 34 10.827 -5.650 0.288 268 1HA GLY 34 2HA GLY 34 9.823 -7.365 -0.960 269 2HA GLY 34 1HA GLY 34 11.093 -8.427 -0.347 270 H ASN 35 H ASN 35 9.375 -6.871 2.140 271 HA ASN 35 HA ASN 35 7.546 -9.215 2.438 272 1HB ASN 35 2HB ASN 35 9.667 -9.259 3.914 273 2HB ASN 35 1HB ASN 35 8.931 -7.913 4.785 274 1HD2 ASN 35 1HD2 ASN 35 7.897 -11.148 3.533 275 2HD2 ASN 35 2HD2 ASN 35 7.000 -11.553 4.916 276 H ILE 36 H ILE 36 5.719 -8.001 1.824 277 HA ILE 36 HA ILE 36 5.013 -5.399 2.426 278 HB ILE 36 HB ILE 36 2.630 -6.203 2.487 279 1HG1 ILE 36 2HG1 ILE 36 3.926 -8.934 2.209 280 2HG1 ILE 36 1HG1 ILE 36 3.153 -8.344 3.680 281 1HG2 ILE 36 1HG2 ILE 36 2.609 -6.660 0.207 282 2HG2 ILE 36 2HG2 ILE 36 4.033 -7.695 0.295 283 3HG2 ILE 36 3HG2 ILE 36 4.209 -5.942 0.381 284 1HD1 ILE 36 1HD1 ILE 36 1.071 -7.933 2.248 285 2HD1 ILE 36 2HD1 ILE 36 1.480 -9.620 2.560 286 3HD1 ILE 36 3HD1 ILE 36 1.867 -8.892 1.001 287 H GLU 37 H GLU 37 4.759 -4.275 4.292 288 HA GLU 37 HA GLU 37 3.934 -5.756 6.744 289 1HB GLU 37 2HB GLU 37 6.505 -4.474 6.250 290 2HB GLU 37 1HB GLU 37 5.689 -3.781 7.652 291 1HG GLU 37 2HG GLU 37 5.499 -5.913 8.717 292 2HG GLU 37 1HG GLU 37 5.969 -6.765 7.246 293 H SER 38 H SER 38 2.872 -3.656 4.691 294 HA SER 38 HA SER 38 1.465 -2.059 6.719 295 1HB SER 38 2HB SER 38 3.736 -0.998 5.344 296 2HB SER 38 1HB SER 38 2.299 -0.191 4.721 297 HG SER 38 HG SER 38 1.817 -0.199 7.189 298 H SER 39 H SER 39 -0.621 -2.265 6.067 299 HA SER 39 HA SER 39 -1.259 -1.825 3.203 300 1HB SER 39 2HB SER 39 -2.734 -3.806 3.167 301 2HB SER 39 1HB SER 39 -1.062 -4.270 3.469 302 HG SER 39 HG SER 39 -1.548 -4.752 5.500 303 H GLU 40 H GLU 40 -2.643 -0.130 3.324 304 HA GLU 40 HA GLU 40 -4.789 -0.244 5.407 305 1HB GLU 40 2HB GLU 40 -4.696 2.182 5.583 306 2HB GLU 40 1HB GLU 40 -3.079 1.535 5.856 307 1HG GLU 40 2HG GLU 40 -2.249 2.550 4.013 308 2HG GLU 40 1HG GLU 40 -3.627 2.061 3.026 309 H VAL 41 H VAL 41 -6.687 1.254 4.696 310 HA VAL 41 HA VAL 41 -7.035 1.118 1.733 311 HB VAL 41 HB VAL 41 -9.424 0.451 2.157 312 1HG1 VAL 41 1HG1 VAL 41 -8.677 -1.632 1.753 313 2HG1 VAL 41 2HG1 VAL 41 -8.162 -1.800 3.431 314 3HG1 VAL 41 3HG1 VAL 41 -7.061 -1.116 2.235 315 1HG2 VAL 41 1HG2 VAL 41 -9.949 0.990 4.355 316 2HG2 VAL 41 2HG2 VAL 41 -8.370 0.494 4.962 317 3HG2 VAL 41 3HG2 VAL 41 -9.572 -0.723 4.537 318 H ILE 42 H ILE 42 -7.329 3.181 1.059 319 HA ILE 42 HA ILE 42 -8.658 5.095 2.919 320 HB ILE 42 HB ILE 42 -6.333 5.573 1.947 321 1HG1 ILE 42 2HG1 ILE 42 -7.193 7.973 1.197 322 2HG1 ILE 42 1HG1 ILE 42 -8.726 7.373 1.832 323 1HG2 ILE 42 1HG2 ILE 42 -6.066 6.015 -0.308 324 2HG2 ILE 42 2HG2 ILE 42 -7.752 6.487 -0.522 325 3HG2 ILE 42 3HG2 ILE 42 -7.323 4.781 -0.398 326 1HD1 ILE 42 1HD1 ILE 42 -7.996 7.420 3.987 327 2HD1 ILE 42 2HD1 ILE 42 -6.792 8.548 3.366 328 3HD1 ILE 42 3HD1 ILE 42 -6.387 6.841 3.555 329 H GLU 43 H GLU 43 -10.345 6.469 2.077 330 HA GLU 43 HA GLU 43 -11.759 5.233 -0.241 331 1HB GLU 43 2HB GLU 43 -12.747 6.937 2.063 332 2HB GLU 43 1HB GLU 43 -13.754 6.488 0.685 333 1HG GLU 43 2HG GLU 43 -13.615 4.168 1.206 334 2HG GLU 43 1HG GLU 43 -12.284 4.425 2.335 335 H ASN 44 H ASN 44 -12.444 6.548 -1.969 336 HA ASN 44 HA ASN 44 -10.827 8.758 -2.682 337 1HB ASN 44 2HB ASN 44 -13.478 7.717 -3.639 338 2HB ASN 44 1HB ASN 44 -12.880 9.259 -4.251 339 1HD2 ASN 44 1HD2 ASN 44 -12.431 8.428 -6.399 340 2HD2 ASN 44 2HD2 ASN 44 -11.172 7.326 -6.688 341 HA PRO 45 HA PRO 45 -12.613 12.087 -0.438 342 1HB PRO 45 2HB PRO 45 -11.768 14.147 -2.054 343 2HB PRO 45 1HB PRO 45 -10.696 13.268 -0.948 344 1HG PRO 45 2HG PRO 45 -10.890 13.083 -3.919 345 2HG PRO 45 1HG PRO 45 -9.508 12.749 -2.862 346 1HD PRO 45 2HD PRO 45 -11.195 10.810 -4.048 347 2HD PRO 45 1HD PRO 45 -10.025 10.520 -2.742 348 H SER 46 H SER 46 -12.907 12.692 -3.962 349 HA SER 46 HA SER 46 -15.837 13.094 -3.560 350 1HB SER 46 2HB SER 46 -14.198 14.794 -5.442 351 2HB SER 46 1HB SER 46 -15.843 15.072 -4.877 352 HG SER 46 HG SER 46 -13.780 16.134 -3.860 353 H ALA 47 H ALA 47 -15.635 10.769 -4.381 354 HA ALA 47 HA ALA 47 -14.716 10.184 -7.016 355 1HB ALA 47 1HB ALA 47 -15.667 8.680 -4.963 356 2HB ALA 47 2HB ALA 47 -15.509 8.080 -6.614 357 3HB ALA 47 3HB ALA 47 -17.067 8.669 -6.035 358 H SER 48 H SER 48 -17.547 11.834 -5.910 359 HA SER 48 HA SER 48 -18.482 11.974 -8.735 360 1HB SER 48 2HB SER 48 -20.017 11.042 -6.345 361 2HB SER 48 1HB SER 48 -20.867 11.998 -7.554 362 HG SER 48 HG SER 48 -19.212 9.897 -8.389 363 H ALA 49 H ALA 49 -20.108 13.213 -5.850 364 HA ALA 49 HA ALA 49 -20.660 15.422 -5.275 365 1HB ALA 49 1HB ALA 49 -17.929 15.212 -5.268 366 2HB ALA 49 2HB ALA 49 -18.813 16.650 -4.758 367 3HB ALA 49 3HB ALA 49 -18.170 16.545 -6.397 368 H SER 50 H SER 50 -20.112 17.862 -6.481 369 HA SER 50 HA SER 50 -21.732 17.639 -8.918 370 1HB SER 50 2HB SER 50 -20.509 20.234 -8.104 371 2HB SER 50 1HB SER 50 -22.142 19.891 -8.666 372 HG SER 50 HG SER 50 -22.329 18.722 -6.571 373 H GLY 51 H GLY 51 -20.683 17.086 -10.777 374 1HA GLY 51 2HA GLY 51 -19.014 18.527 -12.311 375 2HA GLY 51 1HA GLY 51 -17.857 17.869 -11.152 376 H GLY 52 H GLY 52 -18.417 15.332 -10.783 377 1HA GLY 52 2HA GLY 52 -18.823 13.206 -11.810 378 2HA GLY 52 1HA GLY 52 -19.101 14.027 -13.346 379 H ALA 53 H ALA 53 -16.914 12.124 -11.689 380 HA ALA 53 HA ALA 53 -14.906 12.452 -13.778 381 1HB ALA 53 1HB ALA 53 -14.233 13.242 -10.928 382 2HB ALA 53 2HB ALA 53 -14.277 14.324 -12.320 383 3HB ALA 53 3HB ALA 53 -13.059 13.051 -12.230 384 H GLY 54 H GLY 54 -12.761 11.207 -12.504 385 1HA GLY 54 2HA GLY 54 -13.196 9.067 -10.793 386 2HA GLY 54 1HA GLY 54 -13.722 8.469 -12.367 387 H ILE 55 H ILE 55 -11.967 9.399 -14.146 388 HA ILE 55 HA ILE 55 -9.577 7.874 -13.621 389 HB ILE 55 HB ILE 55 -10.024 9.958 -15.778 390 1HG1 ILE 55 2HG1 ILE 55 -11.838 8.315 -15.812 391 2HG1 ILE 55 1HG1 ILE 55 -10.742 8.005 -17.159 392 1HG2 ILE 55 1HG2 ILE 55 -8.120 7.629 -15.446 393 2HG2 ILE 55 2HG2 ILE 55 -7.714 9.330 -15.676 394 3HG2 ILE 55 3HG2 ILE 55 -8.417 8.404 -17.002 395 1HD1 ILE 55 1HD1 ILE 55 -10.621 6.579 -14.486 396 2HD1 ILE 55 2HD1 ILE 55 -9.639 6.226 -15.908 397 3HD1 ILE 55 3HD1 ILE 55 -11.376 5.920 -15.938 398 H ARG 56 H ARG 56 -10.519 11.006 -12.721 399 HA ARG 56 HA ARG 56 -7.885 12.243 -12.789 400 1HB ARG 56 2HB ARG 56 -9.900 13.632 -12.847 401 2HB ARG 56 1HB ARG 56 -10.408 12.994 -11.283 402 1HG ARG 56 2HG ARG 56 -8.478 13.977 -10.190 403 2HG ARG 56 1HG ARG 56 -7.811 14.486 -11.741 404 1HD ARG 56 2HD ARG 56 -10.258 15.638 -11.892 405 2HD ARG 56 1HD ARG 56 -10.009 15.680 -10.146 406 HE ARG 56 HE ARG 56 -7.869 16.739 -11.923 407 1HH1 ARG 56 2HH1 ARG 56 -8.300 16.901 -8.813 408 2HH1 ARG 56 1HH1 ARG 56 -8.682 18.584 -8.667 409 1HH2 ARG 56 1HH2 ARG 56 -9.233 19.026 -12.062 410 2HH2 ARG 56 2HH2 ARG 56 -9.209 19.788 -10.507 411 H THR 57 H THR 57 -9.462 10.018 -10.707 412 HA THR 57 HA THR 57 -8.250 10.714 -8.210 413 HB THR 57 HB THR 57 -10.129 9.029 -8.598 414 HG1 THR 57 HG1 THR 57 -7.843 8.422 -7.050 415 1HG2 THR 57 1HG2 THR 57 -8.495 7.869 -10.367 416 2HG2 THR 57 2HG2 THR 57 -9.698 6.941 -9.470 417 3HG2 THR 57 3HG2 THR 57 -8.016 6.950 -8.939 418 H ALA 58 H ALA 58 -7.038 9.117 -11.062 419 HA ALA 58 HA ALA 58 -4.844 7.686 -10.022 420 1HB ALA 58 1HB ALA 58 -5.727 8.037 -12.495 421 2HB ALA 58 2HB ALA 58 -4.039 7.624 -12.199 422 3HB ALA 58 3HB ALA 58 -4.494 9.296 -12.525 423 H GLN 59 H GLN 59 -5.193 11.156 -10.645 424 HA GLN 59 HA GLN 59 -2.408 11.763 -10.090 425 1HB GLN 59 2HB GLN 59 -3.637 13.334 -11.428 426 2HB GLN 59 1HB GLN 59 -4.906 13.469 -10.209 427 1HG GLN 59 2HG GLN 59 -3.744 15.005 -9.030 428 2HG GLN 59 1HG GLN 59 -2.257 14.059 -9.124 429 1HE2 GLN 59 1HE2 GLN 59 -1.175 16.220 -9.554 430 2HE2 GLN 59 2HE2 GLN 59 -1.204 16.843 -11.133 431 H ILE 60 H ILE 60 -5.363 11.556 -8.181 432 HA ILE 60 HA ILE 60 -4.354 12.850 -5.825 433 HB ILE 60 HB ILE 60 -6.457 10.677 -6.074 434 1HG1 ILE 60 2HG1 ILE 60 -6.758 13.695 -5.957 435 2HG1 ILE 60 1HG1 ILE 60 -6.871 12.741 -7.437 436 1HG2 ILE 60 1HG2 ILE 60 -7.258 11.532 -3.917 437 2HG2 ILE 60 2HG2 ILE 60 -5.951 12.717 -3.886 438 3HG2 ILE 60 3HG2 ILE 60 -5.584 10.995 -3.772 439 1HD1 ILE 60 1HD1 ILE 60 -8.615 12.302 -4.996 440 2HD1 ILE 60 2HD1 ILE 60 -8.777 11.514 -6.565 441 3HD1 ILE 60 3HD1 ILE 60 -9.104 13.240 -6.408 442 H ILE 61 H ILE 61 -4.333 9.460 -6.906 443 HA ILE 61 HA ILE 61 -3.045 8.516 -4.469 444 HB ILE 61 HB ILE 61 -2.665 6.431 -5.911 445 1HG1 ILE 61 2HG1 ILE 61 -4.553 7.821 -7.818 446 2HG1 ILE 61 1HG1 ILE 61 -2.806 7.884 -8.048 447 1HG2 ILE 61 1HG2 ILE 61 -4.592 5.862 -4.900 448 2HG2 ILE 61 2HG2 ILE 61 -5.485 6.630 -6.214 449 3HG2 ILE 61 3HG2 ILE 61 -5.052 7.560 -4.778 450 1HD1 ILE 61 1HD1 ILE 61 -4.339 5.295 -7.718 451 2HD1 ILE 61 2HD1 ILE 61 -2.659 5.489 -8.217 452 3HD1 ILE 61 3HD1 ILE 61 -3.962 6.004 -9.289 453 H ALA 62 H ALA 62 -1.985 9.697 -7.599 454 HA ALA 62 HA ALA 62 0.693 8.703 -7.538 455 1HB ALA 62 1HB ALA 62 0.171 11.409 -8.683 456 2HB ALA 62 2HB ALA 62 -0.716 10.052 -9.378 457 3HB ALA 62 3HB ALA 62 1.048 10.046 -9.378 458 H ASN 63 H ASN 63 -0.767 11.645 -6.180 459 HA ASN 63 HA ASN 63 1.725 12.792 -5.296 460 1HB ASN 63 2HB ASN 63 -0.606 13.914 -5.553 461 2HB ASN 63 1HB ASN 63 -0.919 13.281 -3.937 462 1HD2 ASN 63 1HD2 ASN 63 1.187 15.487 -5.779 463 2HD2 ASN 63 2HD2 ASN 63 1.759 16.339 -4.427 464 H ASN 64 H ASN 64 -0.073 10.122 -4.182 465 HA ASN 64 HA ASN 64 0.851 10.373 -1.389 466 1HB ASN 64 2HB ASN 64 -1.000 8.588 -2.891 467 2HB ASN 64 1HB ASN 64 -0.190 7.893 -1.486 468 1HD2 ASN 64 1HD2 ASN 64 -0.845 8.614 0.607 469 2HD2 ASN 64 2HD2 ASN 64 -2.089 9.743 0.851 470 H GLY 65 H GLY 65 2.130 9.274 -4.303 471 1HA GLY 65 2HA GLY 65 4.421 8.457 -4.404 472 2HA GLY 65 1HA GLY 65 4.190 7.718 -2.818 473 H VAL 66 H VAL 66 1.398 6.933 -4.106 474 HA VAL 66 HA VAL 66 1.924 4.203 -4.533 475 HB VAL 66 HB VAL 66 -0.232 5.770 -5.974 476 1HG1 VAL 66 1HG1 VAL 66 -1.431 3.713 -5.984 477 2HG1 VAL 66 2HG1 VAL 66 -0.330 2.979 -4.818 478 3HG1 VAL 66 3HG1 VAL 66 0.212 3.292 -6.468 479 1HG2 VAL 66 1HG2 VAL 66 -1.282 6.168 -4.010 480 2HG2 VAL 66 2HG2 VAL 66 0.241 5.765 -3.219 481 3HG2 VAL 66 3HG2 VAL 66 -0.990 4.523 -3.446 482 H LYS 67 H LYS 67 3.823 4.007 -5.825 483 HA LYS 67 HA LYS 67 3.843 5.094 -8.544 484 1HB LYS 67 2HB LYS 67 5.956 4.863 -7.325 485 2HB LYS 67 1HB LYS 67 5.692 3.127 -7.159 486 1HG LYS 67 2HG LYS 67 6.454 2.719 -9.243 487 2HG LYS 67 1HG LYS 67 5.455 4.000 -9.931 488 1HD LYS 67 2HD LYS 67 7.789 4.881 -8.316 489 2HD LYS 67 1HD LYS 67 8.153 4.128 -9.870 490 1HE LYS 67 2HE LYS 67 7.130 5.809 -11.082 491 2HE LYS 67 1HE LYS 67 5.989 6.188 -9.791 492 1HZ LYS 67 1HZ LYS 67 8.507 7.360 -10.343 493 2HZ LYS 67 2HZ LYS 67 8.503 6.706 -8.774 494 3HZ LYS 67 3HZ LYS 67 7.325 7.844 -9.226 495 H ALA 68 H ALA 68 2.334 2.484 -7.076 496 HA ALA 68 HA ALA 68 2.232 1.039 -9.701 497 1HB ALA 68 1HB ALA 68 1.545 -0.786 -7.659 498 2HB ALA 68 2HB ALA 68 2.989 0.053 -7.090 499 3HB ALA 68 3HB ALA 68 3.012 -0.788 -8.639 500 H VAL 69 H VAL 69 0.178 0.657 -10.474 501 HA VAL 69 HA VAL 69 -2.097 0.993 -8.576 502 HB VAL 69 HB VAL 69 -1.807 2.355 -11.269 503 1HG1 VAL 69 1HG1 VAL 69 -4.054 2.342 -11.374 504 2HG1 VAL 69 2HG1 VAL 69 -4.106 3.228 -9.851 505 3HG1 VAL 69 3HG1 VAL 69 -4.146 1.466 -9.847 506 1HG2 VAL 69 1HG2 VAL 69 -2.321 4.361 -9.669 507 2HG2 VAL 69 2HG2 VAL 69 -0.687 3.699 -9.702 508 3HG2 VAL 69 3HG2 VAL 69 -1.789 3.262 -8.397 509 H ILE 70 H ILE 70 -3.105 -0.953 -8.662 510 HA ILE 70 HA ILE 70 -3.146 -2.460 -11.219 511 HB ILE 70 HB ILE 70 -3.794 -3.163 -8.350 512 1HG1 ILE 70 2HG1 ILE 70 -2.074 -4.889 -8.757 513 2HG1 ILE 70 1HG1 ILE 70 -1.914 -4.339 -10.424 514 1HG2 ILE 70 1HG2 ILE 70 -4.564 -4.598 -10.888 515 2HG2 ILE 70 2HG2 ILE 70 -5.541 -4.297 -9.452 516 3HG2 ILE 70 3HG2 ILE 70 -4.252 -5.499 -9.405 517 1HD1 ILE 70 1HD1 ILE 70 -1.620 -2.302 -8.260 518 2HD1 ILE 70 2HD1 ILE 70 -0.815 -2.399 -9.827 519 3HD1 ILE 70 3HD1 ILE 70 -0.294 -3.440 -8.501 520 H ALA 71 H ALA 71 -4.786 -1.720 -12.527 521 HA ALA 71 HA ALA 71 -7.518 -1.642 -11.329 522 1HB ALA 71 1HB ALA 71 -8.027 0.367 -12.693 523 2HB ALA 71 2HB ALA 71 -6.345 0.418 -13.220 524 3HB ALA 71 3HB ALA 71 -6.745 0.680 -11.523 525 H SER 72 H SER 72 -9.185 -1.527 -13.219 526 HA SER 72 HA SER 72 -8.208 -3.066 -15.578 527 1HB SER 72 2HB SER 72 -9.835 -4.100 -13.453 528 2HB SER 72 1HB SER 72 -10.810 -4.016 -14.918 529 HG SER 72 HG SER 72 -8.708 -5.641 -14.288 530 H SER 73 H SER 73 -8.843 -0.288 -15.451 531 HA SER 73 HA SER 73 -11.429 0.526 -16.043 532 1HB SER 73 2HB SER 73 -9.946 2.302 -16.098 533 2HB SER 73 1HB SER 73 -8.732 1.396 -16.997 534 HG SER 73 HG SER 73 -10.910 2.865 -17.885 535 HA PRO 74 HA PRO 74 -12.509 -1.643 -19.717 536 1HB PRO 74 2HB PRO 74 -14.609 -0.041 -20.481 537 2HB PRO 74 1HB PRO 74 -14.702 -1.210 -19.151 538 1HG PRO 74 2HG PRO 74 -14.501 1.764 -19.027 539 2HG PRO 74 1HG PRO 74 -15.208 0.638 -17.857 540 1HD PRO 74 2HD PRO 74 -12.670 1.870 -17.641 541 2HD PRO 74 1HD PRO 74 -13.251 0.500 -16.671 542 H GLY 75 H GLY 75 -11.525 1.681 -19.718 543 1HA GLY 75 2HA GLY 75 -10.989 1.487 -22.655 544 2HA GLY 75 1HA GLY 75 -11.545 2.991 -21.918 545 HA PRO 76 HA PRO 76 -6.848 2.563 -21.677 546 1HB PRO 76 2HB PRO 76 -6.164 4.055 -23.884 547 2HB PRO 76 1HB PRO 76 -6.358 2.293 -23.913 548 1HG PRO 76 2HG PRO 76 -8.180 4.399 -24.981 549 2HG PRO 76 1HG PRO 76 -7.981 2.718 -25.502 550 1HD PRO 76 2HD PRO 76 -10.083 3.715 -23.888 551 2HD PRO 76 1HD PRO 76 -9.682 2.001 -24.141 552 H ASN 77 H ASN 77 -9.255 4.794 -21.453 553 HA ASN 77 HA ASN 77 -7.905 7.311 -21.462 554 1HB ASN 77 2HB ASN 77 -10.501 6.447 -20.994 555 2HB ASN 77 1HB ASN 77 -9.993 7.068 -19.422 556 1HD2 ASN 77 1HD2 ASN 77 -11.966 8.470 -20.886 557 2HD2 ASN 77 2HD2 ASN 77 -11.315 9.936 -21.439 558 H ALA 78 H ALA 78 -8.442 4.934 -18.862 559 HA ALA 78 HA ALA 78 -7.209 6.473 -16.786 560 1HB ALA 78 1HB ALA 78 -7.756 3.540 -17.190 561 2HB ALA 78 2HB ALA 78 -8.463 4.646 -16.012 562 3HB ALA 78 3HB ALA 78 -6.804 4.081 -15.808 563 H PHE 79 H PHE 79 -5.865 3.724 -18.657 564 HA PHE 79 HA PHE 79 -3.204 3.991 -17.713 565 1HB PHE 79 2HB PHE 79 -4.007 3.078 -20.488 566 2HB PHE 79 1HB PHE 79 -2.560 2.621 -19.589 567 HD1 PHE 79 HD1 PHE 79 -4.812 0.784 -20.748 568 HD2 PHE 79 HD2 PHE 79 -4.064 2.445 -16.856 569 HE1 PHE 79 HE1 PHE 79 -6.050 -1.098 -19.707 570 HE2 PHE 79 HE2 PHE 79 -5.302 0.563 -15.815 571 HZ PHE 79 HZ PHE 79 -6.294 -1.208 -17.241 572 H GLU 80 H GLU 80 -4.994 5.922 -19.971 573 HA GLU 80 HA GLU 80 -2.828 7.003 -21.486 574 1HB GLU 80 2HB GLU 80 -5.105 7.396 -22.204 575 2HB GLU 80 1HB GLU 80 -5.489 8.212 -20.689 576 1HG GLU 80 2HG GLU 80 -3.986 10.032 -21.205 577 2HG GLU 80 1HG GLU 80 -3.367 9.180 -22.620 578 H VAL 81 H VAL 81 -4.514 8.481 -18.678 579 HA VAL 81 HA VAL 81 -2.587 10.552 -18.304 580 HB VAL 81 HB VAL 81 -4.266 9.258 -16.136 581 1HG1 VAL 81 1HG1 VAL 81 -3.141 10.818 -14.927 582 2HG1 VAL 81 2HG1 VAL 81 -4.194 11.982 -15.733 583 3HG1 VAL 81 3HG1 VAL 81 -2.582 11.661 -16.372 584 1HG2 VAL 81 1HG2 VAL 81 -6.081 9.935 -17.292 585 2HG2 VAL 81 2HG2 VAL 81 -5.067 10.659 -18.541 586 3HG2 VAL 81 3HG2 VAL 81 -5.513 11.595 -17.114 587 H LEU 82 H LEU 82 -2.878 7.323 -16.815 588 HA LEU 82 HA LEU 82 -0.754 7.449 -14.996 589 1HB LEU 82 2HB LEU 82 -1.931 5.245 -16.651 590 2HB LEU 82 1HB LEU 82 -0.436 4.932 -15.767 591 HG LEU 82 HG LEU 82 -2.905 6.118 -14.475 592 1HD1 LEU 82 1HD1 LEU 82 -3.219 3.772 -15.430 593 2HD1 LEU 82 2HD1 LEU 82 -3.483 3.932 -13.693 594 3HD1 LEU 82 3HD1 LEU 82 -1.975 3.244 -14.298 595 1HD2 LEU 82 1HD2 LEU 82 -1.765 5.495 -12.404 596 2HD2 LEU 82 2HD2 LEU 82 -0.694 6.502 -13.377 597 3HD2 LEU 82 3HD2 LEU 82 -0.451 4.756 -13.319 598 H ASN 83 H ASN 83 -0.644 6.944 -18.503 599 HA ASN 83 HA ASN 83 2.157 6.359 -18.671 600 1HB ASN 83 2HB ASN 83 0.130 6.358 -20.468 601 2HB ASN 83 1HB ASN 83 0.907 7.884 -20.894 602 1HD2 ASN 83 1HD2 ASN 83 2.347 7.525 -22.584 603 2HD2 ASN 83 2HD2 ASN 83 3.379 6.184 -22.718 604 H GLU 84 H GLU 84 0.340 9.421 -18.847 605 HA GLU 84 HA GLU 84 2.680 11.051 -19.312 606 1HB GLU 84 2HB GLU 84 -0.039 11.490 -19.370 607 2HB GLU 84 1HB GLU 84 0.439 12.335 -17.897 608 1HG GLU 84 2HG GLU 84 1.908 12.694 -20.515 609 2HG GLU 84 1HG GLU 84 0.539 13.705 -20.054 610 H LEU 85 H LEU 85 1.433 9.460 -16.545 611 HA LEU 85 HA LEU 85 2.820 11.301 -14.675 612 1HB LEU 85 2HB LEU 85 0.884 9.019 -14.359 613 2HB LEU 85 1HB LEU 85 1.876 9.525 -12.991 614 HG LEU 85 HG LEU 85 0.266 11.508 -14.602 615 1HD1 LEU 85 1HD1 LEU 85 -1.366 11.316 -12.628 616 2HD1 LEU 85 2HD1 LEU 85 -0.579 9.780 -12.270 617 3HD1 LEU 85 3HD1 LEU 85 -1.405 10.009 -13.811 618 1HD2 LEU 85 1HD2 LEU 85 2.154 12.210 -13.037 619 2HD2 LEU 85 2HD2 LEU 85 1.177 11.574 -11.714 620 3HD2 LEU 85 3HD2 LEU 85 0.578 12.919 -12.684 621 H GLY 86 H GLY 86 3.517 8.564 -16.510 622 1HA GLY 86 2HA GLY 86 5.366 7.118 -16.509 623 2HA GLY 86 1HA GLY 86 6.126 8.244 -15.384 624 H ILE 87 H ILE 87 3.057 6.631 -14.755 625 HA ILE 87 HA ILE 87 4.303 5.379 -12.369 626 HB ILE 87 HB ILE 87 1.364 5.362 -13.062 627 1HG1 ILE 87 2HG1 ILE 87 2.837 7.514 -11.512 628 2HG1 ILE 87 1HG1 ILE 87 2.314 7.698 -13.187 629 1HG2 ILE 87 1HG2 ILE 87 1.798 3.972 -11.209 630 2HG2 ILE 87 2HG2 ILE 87 1.350 5.508 -10.466 631 3HG2 ILE 87 3HG2 ILE 87 3.048 5.046 -10.582 632 1HD1 ILE 87 1HD1 ILE 87 0.195 6.720 -11.400 633 2HD1 ILE 87 2HD1 ILE 87 0.149 8.017 -12.595 634 3HD1 ILE 87 3HD1 ILE 87 0.785 8.328 -10.980 635 H LYS 88 H LYS 88 3.364 3.108 -11.853 636 HA LYS 88 HA LYS 88 3.783 1.440 -14.261 637 1HB LYS 88 2HB LYS 88 3.975 1.049 -11.321 638 2HB LYS 88 1HB LYS 88 3.470 -0.354 -12.262 639 1HG LYS 88 2HG LYS 88 5.447 -0.136 -13.696 640 2HG LYS 88 1HG LYS 88 5.944 1.310 -12.817 641 1HD LYS 88 2HD LYS 88 5.577 -0.517 -10.782 642 2HD LYS 88 1HD LYS 88 6.237 -1.518 -12.077 643 1HE LYS 88 2HE LYS 88 8.279 -0.532 -11.959 644 2HE LYS 88 1HE LYS 88 7.589 1.079 -11.768 645 1HZ LYS 88 1HZ LYS 88 6.935 0.082 -9.438 646 2HZ LYS 88 2HZ LYS 88 8.456 0.789 -9.708 647 3HZ LYS 88 3HZ LYS 88 8.284 -0.901 -9.734 648 H ILE 89 H ILE 89 2.020 0.836 -15.406 649 HA ILE 89 HA ILE 89 -0.631 0.790 -14.078 650 HB ILE 89 HB ILE 89 -0.066 0.255 -16.999 651 1HG1 ILE 89 2HG1 ILE 89 -0.435 2.925 -15.601 652 2HG1 ILE 89 1HG1 ILE 89 1.019 2.378 -16.438 653 1HG2 ILE 89 1HG2 ILE 89 -2.370 0.056 -15.564 654 2HG2 ILE 89 2HG2 ILE 89 -2.323 0.482 -17.275 655 3HG2 ILE 89 3HG2 ILE 89 -2.446 1.749 -16.054 656 1HD1 ILE 89 1HD1 ILE 89 -1.348 3.622 -17.541 657 2HD1 ILE 89 2HD1 ILE 89 -1.093 2.038 -18.276 658 3HD1 ILE 89 3HD1 ILE 89 0.182 3.255 -18.336 659 H TYR 90 H TYR 90 -1.561 -1.109 -13.471 660 HA TYR 90 HA TYR 90 -0.451 -3.633 -14.638 661 1HB TYR 90 2HB TYR 90 -0.920 -2.810 -11.824 662 2HB TYR 90 1HB TYR 90 -1.421 -4.451 -12.236 663 HD1 TYR 90 HD1 TYR 90 1.417 -2.358 -13.512 664 HD2 TYR 90 HD2 TYR 90 0.216 -5.904 -11.401 665 HE1 TYR 90 HE1 TYR 90 3.781 -3.104 -13.423 666 HE2 TYR 90 HE2 TYR 90 2.582 -6.650 -11.311 667 HH TYR 90 HH TYR 90 5.097 -4.827 -11.635 668 H ARG 91 H ARG 91 -1.985 -5.219 -15.185 669 HA ARG 91 HA ARG 91 -4.770 -4.239 -15.371 670 1HB ARG 91 2HB ARG 91 -3.121 -5.833 -17.013 671 2HB ARG 91 1HB ARG 91 -4.373 -6.914 -16.402 672 1HG ARG 91 2HG ARG 91 -4.749 -4.319 -17.910 673 2HG ARG 91 1HG ARG 91 -5.264 -5.935 -18.396 674 1HD ARG 91 2HD ARG 91 -6.530 -5.743 -16.008 675 2HD ARG 91 1HD ARG 91 -6.518 -4.044 -16.482 676 HE ARG 91 HE ARG 91 -8.182 -6.074 -17.643 677 1HH1 ARG 91 1HH2 ARG 91 -6.345 -3.224 -18.274 678 2HH1 ARG 91 2HH2 ARG 91 -7.167 -2.865 -19.755 679 1HH2 ARG 91 2HH1 ARG 91 -9.199 -5.668 -19.623 680 2HH2 ARG 91 1HH1 ARG 91 -8.781 -4.245 -20.517 681 H ALA 92 H ALA 92 -6.397 -5.000 -14.089 682 HA ALA 92 HA ALA 92 -5.694 -6.982 -12.008 683 1HB ALA 92 1HB ALA 92 -8.449 -5.956 -12.053 684 2HB ALA 92 2HB ALA 92 -7.227 -4.687 -11.969 685 3HB ALA 92 3HB ALA 92 -7.270 -5.952 -10.740 686 H THR 93 H THR 93 -5.706 -8.971 -13.133 687 HA THR 93 HA THR 93 -8.415 -9.852 -14.026 688 HB THR 93 HB THR 93 -6.132 -11.022 -15.496 689 HG1 THR 93 HG1 THR 93 -6.472 -8.943 -16.868 690 1HG2 THR 93 1HG2 THR 93 -7.719 -11.294 -17.123 691 2HG2 THR 93 2HG2 THR 93 -8.444 -9.714 -16.824 692 3HG2 THR 93 3HG2 THR 93 -8.818 -11.071 -15.762 693 H GLY 94 H GLY 94 -6.616 -10.260 -11.591 694 1HA GLY 94 2HA GLY 94 -5.957 -13.124 -11.758 695 2HA GLY 94 1HA GLY 94 -5.698 -12.083 -10.359 696 H THR 95 H THR 95 -6.814 -13.069 -8.730 697 HA THR 95 HA THR 95 -9.733 -13.492 -9.168 698 HB THR 95 HB THR 95 -8.688 -15.700 -9.312 699 HG1 THR 95 HG1 THR 95 -10.633 -15.201 -7.925 700 1HG2 THR 95 1HG2 THR 95 -7.546 -15.114 -6.568 701 2HG2 THR 95 2HG2 THR 95 -6.615 -15.048 -8.065 702 3HG2 THR 95 3HG2 THR 95 -7.306 -16.577 -7.521 703 H SER 96 H SER 96 -7.067 -13.050 -6.868 704 HA SER 96 HA SER 96 -9.047 -11.809 -5.000 705 1HB SER 96 2HB SER 96 -8.310 -13.888 -4.008 706 2HB SER 96 1HB SER 96 -6.625 -13.509 -4.352 707 HG SER 96 HG SER 96 -6.607 -12.500 -2.521 708 H VAL 97 H VAL 97 -8.488 -9.796 -4.247 709 HA VAL 97 HA VAL 97 -6.549 -8.225 -5.572 710 HB VAL 97 HB VAL 97 -6.739 -6.806 -3.346 711 1HG1 VAL 97 1HG1 VAL 97 -9.405 -6.988 -4.562 712 2HG1 VAL 97 2HG1 VAL 97 -8.102 -6.894 -5.746 713 3HG1 VAL 97 3HG1 VAL 97 -8.276 -5.633 -4.525 714 1HG2 VAL 97 1HG2 VAL 97 -8.196 -7.534 -1.761 715 2HG2 VAL 97 2HG2 VAL 97 -7.968 -9.121 -2.494 716 3HG2 VAL 97 3HG2 VAL 97 -9.344 -8.123 -2.964 717 H GLU 98 H GLU 98 -6.279 -10.168 -2.628 718 HA GLU 98 HA GLU 98 -3.660 -9.202 -1.897 719 1HB GLU 98 2HB GLU 98 -5.549 -10.884 -0.744 720 2HB GLU 98 1HB GLU 98 -4.216 -11.973 -1.134 721 1HG GLU 98 2HG GLU 98 -2.770 -10.950 0.330 722 2HG GLU 98 1HG GLU 98 -3.493 -9.358 0.094 723 H GLU 99 H GLU 99 -4.733 -12.191 -3.558 724 HA GLU 99 HA GLU 99 -2.202 -13.277 -4.107 725 1HB GLU 99 2HB GLU 99 -4.374 -14.396 -4.619 726 2HB GLU 99 1HB GLU 99 -4.595 -13.285 -5.973 727 1HG GLU 99 2HG GLU 99 -3.157 -14.437 -7.283 728 2HG GLU 99 1HG GLU 99 -1.965 -14.567 -5.989 729 H ASN 100 H ASN 100 -3.878 -10.597 -5.655 730 HA ASN 100 HA ASN 100 -2.072 -10.406 -7.914 731 1HB ASN 100 2HB ASN 100 -4.327 -8.867 -6.805 732 2HB ASN 100 1HB ASN 100 -3.097 -7.872 -7.585 733 1HD2 ASN 100 1HD2 ASN 100 -5.359 -7.800 -8.996 734 2HD2 ASN 100 2HD2 ASN 100 -5.335 -8.844 -10.334 735 H LEU 101 H LEU 101 -2.370 -8.587 -4.849 736 HA LEU 101 HA LEU 101 -0.217 -6.825 -5.158 737 1HB LEU 101 2HB LEU 101 -1.783 -6.867 -3.205 738 2HB LEU 101 1HB LEU 101 -0.937 -8.294 -2.602 739 HG LEU 101 HG LEU 101 1.202 -6.915 -2.696 740 1HD1 LEU 101 1HD1 LEU 101 0.904 -4.462 -2.693 741 2HD1 LEU 101 2HD1 LEU 101 -0.822 -4.672 -2.994 742 3HD1 LEU 101 3HD1 LEU 101 0.354 -5.164 -4.214 743 1HD2 LEU 101 1HD2 LEU 101 0.884 -6.467 -0.490 744 2HD2 LEU 101 2HD2 LEU 101 -0.707 -7.190 -0.725 745 3HD2 LEU 101 3HD2 LEU 101 -0.512 -5.439 -0.809 746 H LYS 102 H LYS 102 -0.093 -10.128 -3.772 747 HA LYS 102 HA LYS 102 2.762 -10.153 -3.479 748 1HB LYS 102 2HB LYS 102 1.478 -11.764 -2.244 749 2HB LYS 102 1HB LYS 102 0.722 -12.378 -3.715 750 1HG LYS 102 2HG LYS 102 2.516 -13.891 -2.960 751 2HG LYS 102 1HG LYS 102 2.920 -13.166 -4.517 752 1HD LYS 102 2HD LYS 102 4.615 -11.890 -3.640 753 2HD LYS 102 1HD LYS 102 3.801 -11.688 -2.087 754 1HE LYS 102 2HE LYS 102 4.724 -13.580 -1.209 755 2HE LYS 102 1HE LYS 102 4.614 -14.460 -2.734 756 1HZ LYS 102 1HZ LYS 102 6.916 -13.956 -2.026 757 2HZ LYS 102 2HZ LYS 102 6.576 -12.299 -2.199 758 3HZ LYS 102 3HZ LYS 102 6.526 -13.325 -3.553 759 H LEU 103 H LEU 103 0.600 -11.046 -6.132 760 HA LEU 103 HA LEU 103 2.667 -12.259 -7.756 761 1HB LEU 103 2HB LEU 103 -0.173 -11.530 -8.049 762 2HB LEU 103 1HB LEU 103 0.758 -11.406 -9.543 763 HG LEU 103 HG LEU 103 1.698 -13.763 -8.731 764 1HD1 LEU 103 1HD1 LEU 103 0.376 -13.658 -6.606 765 2HD1 LEU 103 2HD1 LEU 103 -0.007 -15.073 -7.587 766 3HD1 LEU 103 3HD1 LEU 103 -1.102 -13.690 -7.567 767 1HD2 LEU 103 1HD2 LEU 103 -0.130 -14.823 -10.079 768 2HD2 LEU 103 2HD2 LEU 103 0.558 -13.397 -10.855 769 3HD2 LEU 103 3HD2 LEU 103 -1.000 -13.290 -10.036 770 H PHE 104 H PHE 104 1.999 -9.050 -6.899 771 HA PHE 104 HA PHE 104 2.865 -7.799 -9.386 772 1HB PHE 104 2HB PHE 104 1.439 -6.486 -7.985 773 2HB PHE 104 1HB PHE 104 2.446 -6.778 -6.567 774 HD1 PHE 104 HD1 PHE 104 4.792 -5.820 -6.500 775 HD2 PHE 104 HD2 PHE 104 1.906 -4.698 -9.481 776 HE1 PHE 104 HE1 PHE 104 6.123 -3.792 -7.024 777 HE2 PHE 104 HE2 PHE 104 3.237 -2.669 -10.006 778 HZ PHE 104 HZ PHE 104 5.345 -2.217 -8.777 779 H THR 105 H THR 105 4.381 -8.663 -6.294 780 HA THR 105 HA THR 105 6.915 -7.408 -6.919 781 HB THR 105 HB THR 105 6.157 -9.563 -4.926 782 HG1 THR 105 HG1 THR 105 5.311 -7.514 -4.509 783 1HG2 THR 105 1HG2 THR 105 8.770 -8.121 -5.414 784 2HG2 THR 105 2HG2 THR 105 8.489 -9.862 -5.380 785 3HG2 THR 105 3HG2 THR 105 8.391 -8.924 -3.890 786 H GLU 106 H GLU 106 5.382 -10.255 -8.005 787 HA GLU 106 HA GLU 106 7.958 -11.575 -8.667 788 1HB GLU 106 2HB GLU 106 5.209 -12.454 -8.257 789 2HB GLU 106 1HB GLU 106 5.876 -13.084 -9.763 790 1HG GLU 106 2HG GLU 106 7.902 -13.831 -8.478 791 2HG GLU 106 1HG GLU 106 7.077 -13.352 -6.994 792 H GLY 107 H GLY 107 5.567 -9.544 -10.071 793 1HA GLY 107 2HA GLY 107 5.546 -8.558 -12.214 794 2HA GLY 107 1HA GLY 107 7.030 -9.441 -12.581 795 H ASN 108 H ASN 108 4.157 -11.070 -11.411 796 HA ASN 108 HA ASN 108 4.139 -12.768 -13.791 797 1HB ASN 108 2HB ASN 108 3.126 -12.902 -11.102 798 2HB ASN 108 1HB ASN 108 1.808 -13.213 -12.233 799 1HD2 ASN 108 1HD2 ASN 108 5.327 -14.050 -12.236 800 2HD2 ASN 108 2HD2 ASN 108 5.079 -15.700 -12.547 801 H LEU 109 H LEU 109 1.946 -10.344 -12.353 802 HA LEU 109 HA LEU 109 0.582 -10.211 -15.014 803 1HB LEU 109 2HB LEU 109 -0.546 -10.829 -12.487 804 2HB LEU 109 1HB LEU 109 -1.083 -9.197 -12.892 805 HG LEU 109 HG LEU 109 -1.588 -10.188 -15.244 806 1HD1 LEU 109 1HD1 LEU 109 -1.846 -12.514 -15.429 807 2HD1 LEU 109 2HD1 LEU 109 -1.893 -12.744 -13.682 808 3HD1 LEU 109 3HD1 LEU 109 -0.367 -12.370 -14.482 809 1HD2 LEU 109 1HD2 LEU 109 -3.824 -10.956 -14.448 810 2HD2 LEU 109 2HD2 LEU 109 -3.331 -9.441 -13.693 811 3HD2 LEU 109 3HD2 LEU 109 -3.212 -10.954 -12.795 812 H GLU 110 H GLU 110 0.088 -8.111 -15.771 813 HA GLU 110 HA GLU 110 0.428 -5.736 -14.176 814 1HB GLU 110 2HB GLU 110 2.492 -4.882 -15.168 815 2HB GLU 110 1HB GLU 110 2.818 -6.432 -14.391 816 1HG GLU 110 2HG GLU 110 2.145 -6.196 -17.332 817 2HG GLU 110 1HG GLU 110 3.801 -6.141 -16.729 818 H GLU 111 H GLU 111 1.307 -4.043 -16.349 819 HA GLU 111 HA GLU 111 -0.596 -4.583 -18.533 820 1HB GLU 111 2HB GLU 111 -1.079 -2.680 -16.401 821 2HB GLU 111 1HB GLU 111 -1.051 -1.897 -17.982 822 1HG GLU 111 2HG GLU 111 -2.493 -4.307 -18.318 823 2HG GLU 111 1HG GLU 111 -3.104 -3.563 -16.840 824 H ILE 112 H ILE 112 0.717 -1.522 -17.700 825 HA ILE 112 HA ILE 112 2.734 -1.779 -19.886 826 HB ILE 112 HB ILE 112 0.911 0.594 -19.375 827 1HG1 ILE 112 2HG1 ILE 112 0.989 -0.722 -22.018 828 2HG1 ILE 112 1HG1 ILE 112 0.320 -1.720 -20.726 829 1HG2 ILE 112 1HG2 ILE 112 2.018 1.640 -21.252 830 2HG2 ILE 112 2HG2 ILE 112 2.970 0.188 -21.561 831 3HG2 ILE 112 3HG2 ILE 112 3.264 1.142 -20.107 832 1HD1 ILE 112 1HD1 ILE 112 -0.696 0.968 -20.494 833 2HD1 ILE 112 2HD1 ILE 112 -1.591 -0.533 -20.740 834 3HD1 ILE 112 3HD1 ILE 112 -0.979 0.367 -22.128 835 H ARG 113 H ARG 113 4.633 -0.478 -19.586 836 HA ARG 113 HA ARG 113 4.907 0.634 -16.821 837 1HB ARG 113 2HB ARG 113 6.304 -1.512 -17.920 838 2HB ARG 113 1HB ARG 113 7.419 -0.156 -18.090 839 1HG ARG 113 2HG ARG 113 6.132 -0.063 -15.503 840 2HG ARG 113 1HG ARG 113 6.890 -1.637 -15.747 841 1HD ARG 113 2HD ARG 113 8.228 1.068 -16.042 842 2HD ARG 113 1HD ARG 113 8.522 -0.112 -14.766 843 HE ARG 113 HE ARG 113 9.023 -0.992 -17.548 844 1HH1 ARG 113 1HH2 ARG 113 9.956 -1.762 -14.558 845 2HH1 ARG 113 2HH2 ARG 113 11.659 -1.523 -14.768 846 1HH2 ARG 113 2HH1 ARG 113 11.322 0.121 -17.803 847 2HH2 ARG 113 1HH1 ARG 113 12.432 -0.456 -16.604 848 H SER 114 H SER 114 6.631 0.762 -19.969 849 HA SER 114 HA SER 114 6.161 3.533 -20.414 850 1HB SER 114 2HB SER 114 8.311 4.501 -19.751 851 2HB SER 114 1HB SER 114 7.517 3.793 -18.347 852 HG SER 114 HG SER 114 9.831 3.277 -18.742 853 HA PRO 115 HA PRO 115 8.335 1.023 -23.676 854 1HB PRO 115 2HB PRO 115 6.168 0.780 -25.351 855 2HB PRO 115 1HB PRO 115 6.568 -0.402 -24.092 856 1HG PRO 115 2HG PRO 115 4.401 1.646 -24.123 857 2HG PRO 115 1HG PRO 115 4.473 0.102 -23.259 858 1HD PRO 115 2HD PRO 115 4.929 2.658 -22.129 859 2HD PRO 115 1HD PRO 115 5.312 1.097 -21.372 860 H GLY 116 H GLY 116 8.291 1.676 -26.157 861 1HA GLY 116 2HA GLY 116 8.407 3.361 -27.801 862 2HA GLY 116 1HA GLY 116 7.331 4.337 -26.801 863 H SER 117 H SER 117 10.641 3.023 -26.405 864 HA SER 117 HA SER 117 11.691 4.934 -24.704 865 1HB SER 117 2HB SER 117 13.538 4.397 -26.912 866 2HB SER 117 1HB SER 117 13.682 3.983 -25.207 867 HG SER 117 HG SER 117 12.783 2.090 -25.584 868 H GLY 118 H GLY 118 11.024 7.064 -24.968 869 1HA GLY 118 2HA GLY 118 11.487 8.333 -27.625 870 2HA GLY 118 1HA GLY 118 10.464 8.997 -26.350 871 H ARG 119 H ARG 119 13.877 8.183 -27.025 872 HA ARG 119 HA ARG 119 14.653 10.714 -25.693 873 1HB ARG 119 2HB ARG 119 14.731 8.500 -24.178 874 2HB ARG 119 1HB ARG 119 16.284 8.317 -24.994 875 1HG ARG 119 2HG ARG 119 17.209 9.961 -23.762 876 2HG ARG 119 1HG ARG 119 15.878 11.060 -24.129 877 1HD ARG 119 2HD ARG 119 15.547 10.844 -21.857 878 2HD ARG 119 1HD ARG 119 14.593 9.466 -22.407 879 HE ARG 119 HE ARG 119 17.091 9.327 -20.920 880 1HH1 ARG 119 1HH2 ARG 119 14.927 7.342 -20.569 881 2HH1 ARG 119 2HH2 ARG 119 15.544 5.951 -21.395 882 1HH2 ARG 119 2HH1 ARG 119 17.954 7.730 -23.145 883 2HH2 ARG 119 1HH1 ARG 119 17.257 6.170 -22.856 884 H GLY 120 H GLY 120 15.808 7.799 -27.407 885 1HA GLY 120 2HA GLY 120 16.986 7.933 -29.523 886 2HA GLY 120 1HA GLY 120 17.452 9.587 -29.122 887 H ARG 121 H ARG 121 18.608 6.471 -29.306 888 HA ARG 121 HA ARG 121 20.756 7.061 -27.308 889 1HB ARG 121 2HB ARG 121 19.092 4.776 -27.574 890 2HB ARG 121 1HB ARG 121 20.710 4.292 -28.086 891 1HG ARG 121 2HG ARG 121 20.128 5.782 -25.511 892 2HG ARG 121 1HG ARG 121 20.313 4.031 -25.615 893 1HD ARG 121 2HD ARG 121 22.576 4.509 -26.745 894 2HD ARG 121 1HD ARG 121 22.382 6.162 -26.163 895 HE ARG 121 HE ARG 121 22.815 3.771 -24.471 896 1HH1 ARG 121 2HH1 ARG 121 24.296 6.508 -24.567 897 2HH1 ARG 121 1HH1 ARG 121 23.786 7.178 -23.054 898 1HH2 ARG 121 1HH2 ARG 121 21.217 4.893 -22.606 899 2HH2 ARG 121 2HH2 ARG 121 22.044 6.263 -21.942 900 H ARG 122 H ARG 122 20.433 4.844 -30.097 901 HA ARG 122 HA ARG 122 22.940 6.066 -31.185 902 1HB ARG 122 2HB ARG 122 23.483 3.807 -32.080 903 2HB ARG 122 1HB ARG 122 23.393 3.819 -30.319 904 1HG ARG 122 2HG ARG 122 21.833 2.201 -30.418 905 2HG ARG 122 1HG ARG 122 20.765 3.324 -31.263 906 1HD ARG 122 2HD ARG 122 21.512 2.601 -33.397 907 2HD ARG 122 1HD ARG 122 22.922 1.789 -32.717 908 HE ARG 122 HE ARG 122 20.578 0.436 -33.196 909 1HH1 ARG 122 2HH1 ARG 122 23.093 -0.031 -31.216 910 2HH1 ARG 122 1HH1 ARG 122 22.229 -0.762 -29.904 911 1HH2 ARG 122 1HH2 ARG 122 19.103 0.090 -31.138 912 2HH2 ARG 122 2HH2 ARG 122 19.971 -0.695 -29.861 913 H ARG 123 H ARG 123 19.703 5.804 -31.682 914 HA ARG 123 HA ARG 123 19.884 5.398 -34.616 915 1HB ARG 123 2HB ARG 123 17.404 5.952 -32.968 916 2HB ARG 123 1HB ARG 123 17.487 5.266 -34.591 917 1HG ARG 123 2HG ARG 123 19.074 3.523 -33.214 918 2HG ARG 123 1HG ARG 123 17.901 3.960 -31.971 919 1HD ARG 123 2HD ARG 123 16.789 3.390 -34.664 920 2HD ARG 123 1HD ARG 123 17.455 2.009 -33.794 921 HE ARG 123 HE ARG 123 14.940 3.087 -33.242 922 1HH1 ARG 123 2HH1 ARG 123 17.743 1.885 -31.703 923 2HH1 ARG 123 1HH1 ARG 123 17.081 1.969 -30.103 924 1HH2 ARG 123 1HH2 ARG 123 14.136 3.496 -31.117 925 2HH2 ARG 123 2HH2 ARG 123 15.040 2.882 -29.773 926 H ARG 124 HN ARG 124 21.077 7.433 -34.955 927 HA ARG 124 HA ARG 124 19.226 9.779 -34.930 928 1HB ARG 124 2HB ARG 124 21.819 9.488 -33.641 929 2HB ARG 124 1HB ARG 124 21.823 10.820 -34.797 930 1HG ARG 124 2HG ARG 124 20.061 11.938 -33.699 931 2HG ARG 124 1HG ARG 124 19.558 10.485 -32.835 932 1HD ARG 124 2HD ARG 124 21.008 10.875 -31.147 933 2HD ARG 124 1HD ARG 124 22.331 11.204 -32.265 934 HE ARG 124 HE ARG 124 21.648 13.539 -32.311 935 1HH1 ARG 124 1HH1 ARG 124 21.221 12.072 -29.422 936 2HH1 ARG 124 2HH1 ARG 124 19.966 13.110 -28.832 937 1HH2 ARG 124 1HH2 ARG 124 19.427 14.638 -31.897 938 2HH2 ARG 124 2HH2 ARG 124 18.951 14.562 -30.234 Start of MODEL 20 1 1H MET 1 1H MET 1 8.045 4.642 -4.516 2 2H MET 1 2H MET 1 9.010 3.914 -3.324 3 3H MET 1 3H MET 1 7.351 4.158 -3.047 4 HA MET 1 HA MET 1 7.455 2.698 -5.370 5 1HB MET 1 2HB MET 1 9.760 2.104 -5.006 6 2HB MET 1 1HB MET 1 9.459 1.754 -3.303 7 1HG MET 1 2HG MET 1 7.917 -0.080 -3.985 8 2HG MET 1 1HG MET 1 8.325 0.237 -5.671 9 1HE MET 1 1HE MET 1 8.796 -1.515 -2.671 10 2HE MET 1 2HE MET 1 10.229 -2.523 -2.870 11 3HE MET 1 3HE MET 1 8.868 -2.711 -3.973 12 H LYS 2 H LYS 2 5.245 2.699 -4.677 13 HA LYS 2 HA LYS 2 4.702 0.751 -2.478 14 1HB LYS 2 2HB LYS 2 3.133 3.288 -3.041 15 2HB LYS 2 1HB LYS 2 2.773 2.102 -1.786 16 1HG LYS 2 2HG LYS 2 4.265 3.045 -0.389 17 2HG LYS 2 1HG LYS 2 5.538 2.926 -1.605 18 1HD LYS 2 2HD LYS 2 4.515 4.989 -2.697 19 2HD LYS 2 1HD LYS 2 3.532 5.162 -1.243 20 1HE LYS 2 2HE LYS 2 6.418 4.741 -0.756 21 2HE LYS 2 1HE LYS 2 6.008 6.266 -1.540 22 1HZ LYS 2 1HZ LYS 2 5.989 6.318 0.938 23 2HZ LYS 2 2HZ LYS 2 4.653 5.271 0.901 24 3HZ LYS 2 3HZ LYS 2 4.541 6.820 0.214 25 H ILE 3 H ILE 3 2.678 -0.425 -2.750 26 HA ILE 3 HA ILE 3 1.762 -0.459 -5.599 27 HB ILE 3 HB ILE 3 1.912 -2.717 -3.579 28 1HG1 ILE 3 2HG1 ILE 3 3.235 -2.915 -6.212 29 2HG1 ILE 3 1HG1 ILE 3 3.908 -1.677 -5.149 30 1HG2 ILE 3 1HG2 ILE 3 1.227 -3.119 -6.464 31 2HG2 ILE 3 2HG2 ILE 3 -0.043 -2.548 -5.382 32 3HG2 ILE 3 3HG2 ILE 3 0.767 -4.080 -5.059 33 1HD1 ILE 3 1HD1 ILE 3 3.678 -3.672 -3.363 34 2HD1 ILE 3 2HD1 ILE 3 5.112 -3.473 -4.368 35 3HD1 ILE 3 3HD1 ILE 3 3.870 -4.638 -4.825 36 H ALA 4 H ALA 4 -0.160 0.627 -5.620 37 HA ALA 4 HA ALA 4 -2.046 0.263 -3.354 38 1HB ALA 4 1HB ALA 4 -2.558 2.051 -5.717 39 2HB ALA 4 2HB ALA 4 -1.409 2.550 -4.475 40 3HB ALA 4 3HB ALA 4 -3.091 2.237 -4.046 41 H ILE 5 H ILE 5 -4.439 0.066 -4.101 42 HA ILE 5 HA ILE 5 -4.729 -1.465 -6.619 43 HB ILE 5 HB ILE 5 -5.439 -2.586 -3.891 44 1HG1 ILE 5 2HG1 ILE 5 -3.560 -3.656 -6.018 45 2HG1 ILE 5 1HG1 ILE 5 -3.023 -2.718 -4.625 46 1HG2 ILE 5 1HG2 ILE 5 -5.716 -4.489 -5.986 47 2HG2 ILE 5 2HG2 ILE 5 -6.588 -3.039 -6.483 48 3HG2 ILE 5 3HG2 ILE 5 -6.984 -3.826 -4.956 49 1HD1 ILE 5 1HD1 ILE 5 -4.799 -4.842 -3.782 50 2HD1 ILE 5 2HD1 ILE 5 -3.136 -4.525 -3.287 51 3HD1 ILE 5 3HD1 ILE 5 -3.459 -5.498 -4.722 52 H ALA 6 H ALA 6 -6.494 -0.614 -7.594 53 HA ALA 6 HA ALA 6 -8.505 0.827 -5.986 54 1HB ALA 6 1HB ALA 6 -9.460 0.913 -8.533 55 2HB ALA 6 2HB ALA 6 -7.742 0.672 -8.849 56 3HB ALA 6 3HB ALA 6 -8.279 2.060 -7.901 57 H SER 7 H SER 7 -10.675 0.142 -5.771 58 HA SER 7 HA SER 7 -12.433 -1.414 -5.679 59 1HB SER 7 2HB SER 7 -11.132 -1.926 -8.308 60 2HB SER 7 1HB SER 7 -12.205 -3.182 -7.696 61 HG SER 7 HG SER 7 -13.341 -1.627 -8.916 62 H SER 8 H SER 8 -11.393 -2.257 -3.718 63 HA SER 8 HA SER 8 -10.413 -5.040 -4.130 64 1HB SER 8 2HB SER 8 -8.381 -4.525 -3.305 65 2HB SER 8 1HB SER 8 -8.862 -2.838 -3.161 66 HG SER 8 HG SER 8 -9.128 -4.933 -1.272 67 H GLY 9 H GLY 9 -11.838 -2.637 -1.948 68 1HA GLY 9 2HA GLY 9 -13.788 -3.126 -0.601 69 2HA GLY 9 1HA GLY 9 -13.366 -4.837 -0.667 70 H THR 10 H THR 10 -13.791 -4.418 1.778 71 HA THR 10 HA THR 10 -11.553 -3.120 3.183 72 HB THR 10 HB THR 10 -13.103 -4.561 5.036 73 HG1 THR 10 HG1 THR 10 -15.168 -3.417 4.143 74 1HG2 THR 10 1HG2 THR 10 -13.288 -1.685 4.099 75 2HG2 THR 10 2HG2 THR 10 -12.214 -2.306 5.354 76 3HG2 THR 10 3HG2 THR 10 -13.959 -2.299 5.609 77 H ASP 11 H ASP 11 -11.634 -5.872 1.560 78 HA ASP 11 HA ASP 11 -9.497 -7.091 3.071 79 1HB ASP 11 2HB ASP 11 -10.600 -9.136 3.760 80 2HB ASP 11 1HB ASP 11 -11.505 -7.777 4.430 81 H LEU 12 H LEU 12 -9.379 -9.583 2.087 82 HA LEU 12 HA LEU 12 -8.988 -9.146 -0.764 83 1HB LEU 12 2HB LEU 12 -8.131 -11.427 -0.785 84 2HB LEU 12 1HB LEU 12 -7.493 -10.591 0.631 85 HG LEU 12 HG LEU 12 -10.077 -11.962 1.058 86 1HD1 LEU 12 1HD1 LEU 12 -9.455 -13.934 0.155 87 2HD1 LEU 12 2HD1 LEU 12 -8.221 -14.020 1.413 88 3HD1 LEU 12 3HD1 LEU 12 -7.824 -13.344 -0.166 89 1HD2 LEU 12 1HD2 LEU 12 -9.275 -11.399 3.105 90 2HD2 LEU 12 2HD2 LEU 12 -7.629 -11.205 2.498 91 3HD2 LEU 12 3HD2 LEU 12 -8.227 -12.807 2.930 92 H GLY 13 H GLY 13 -11.537 -10.392 1.216 93 1HA GLY 13 2HA GLY 13 -12.857 -12.233 -0.389 94 2HA GLY 13 1HA GLY 13 -13.713 -11.040 0.588 95 H SER 14 H SER 14 -12.994 -8.675 -0.693 96 HA SER 14 HA SER 14 -14.704 -8.801 -3.047 97 1HB SER 14 2HB SER 14 -13.569 -6.741 -1.338 98 2HB SER 14 1HB SER 14 -13.415 -6.313 -3.039 99 HG SER 14 HG SER 14 -15.424 -5.680 -2.610 100 H GLU 15 H GLU 15 -13.385 -10.309 -4.328 101 HA GLU 15 HA GLU 15 -10.719 -9.560 -5.193 102 1HB GLU 15 2HB GLU 15 -11.126 -11.366 -6.935 103 2HB GLU 15 1HB GLU 15 -11.292 -11.895 -5.259 104 1HG GLU 15 2HG GLU 15 -13.422 -12.508 -5.639 105 2HG GLU 15 1HG GLU 15 -13.818 -10.868 -6.155 106 H VAL 16 H VAL 16 -11.141 -7.348 -5.900 107 HA VAL 16 HA VAL 16 -11.279 -5.859 -7.729 108 HB VAL 16 HB VAL 16 -12.573 -8.031 -9.369 109 1HG1 VAL 16 1HG1 VAL 16 -11.957 -5.433 -9.920 110 2HG1 VAL 16 2HG1 VAL 16 -12.024 -6.704 -11.139 111 3HG1 VAL 16 3HG1 VAL 16 -10.476 -6.239 -10.436 112 1HG2 VAL 16 1HG2 VAL 16 -9.961 -8.114 -8.117 113 2HG2 VAL 16 2HG2 VAL 16 -9.800 -8.053 -9.873 114 3HG2 VAL 16 3HG2 VAL 16 -10.749 -9.333 -9.118 115 H SER 17 H SER 17 -12.964 -4.981 -6.230 116 HA SER 17 HA SER 17 -15.659 -5.588 -6.135 117 1HB SER 17 2HB SER 17 -14.106 -3.383 -5.428 118 2HB SER 17 1HB SER 17 -15.302 -2.719 -6.539 119 HG SER 17 HG SER 17 -15.871 -2.920 -4.208 120 H ARG 18 H ARG 18 -14.605 -2.961 -8.314 121 HA ARG 18 HA ARG 18 -16.253 -4.177 -10.473 122 1HB ARG 18 2HB ARG 18 -16.517 -1.339 -9.435 123 2HB ARG 18 1HB ARG 18 -17.247 -1.921 -10.933 124 1HG ARG 18 2HG ARG 18 -17.745 -3.166 -8.215 125 2HG ARG 18 1HG ARG 18 -18.811 -1.974 -8.963 126 1HD ARG 18 2HD ARG 18 -18.643 -3.680 -11.017 127 2HD ARG 18 1HD ARG 18 -18.332 -4.824 -9.711 128 HE ARG 18 HE ARG 18 -20.528 -3.911 -8.709 129 1HH1 ARG 18 1HH2 ARG 18 -19.881 -4.793 -11.922 130 2HH1 ARG 18 2HH2 ARG 18 -21.470 -4.430 -12.509 131 1HH2 ARG 18 2HH1 ARG 18 -22.548 -3.051 -9.516 132 2HH2 ARG 18 1HH1 ARG 18 -22.980 -3.444 -11.146 133 H PHE 19 H PHE 19 -14.863 -0.922 -10.261 134 HA PHE 19 HA PHE 19 -12.624 -1.739 -12.022 135 1HB PHE 19 2HB PHE 19 -14.434 0.560 -12.795 136 2HB PHE 19 1HB PHE 19 -13.161 -0.188 -13.759 137 HD1 PHE 19 HD1 PHE 19 -16.635 -0.391 -12.673 138 HD2 PHE 19 HD2 PHE 19 -13.453 -2.510 -14.637 139 HE1 PHE 19 HE1 PHE 19 -18.279 -2.001 -13.603 140 HE2 PHE 19 HE2 PHE 19 -15.096 -4.119 -15.567 141 HZ PHE 19 HZ PHE 19 -17.510 -3.864 -15.051 142 H PHE 20 H PHE 20 -12.293 1.222 -12.646 143 HA PHE 20 HA PHE 20 -11.348 2.057 -9.932 144 1HB PHE 20 2HB PHE 20 -9.481 1.431 -11.437 145 2HB PHE 20 1HB PHE 20 -10.045 2.616 -12.615 146 HD1 PHE 20 HD1 PHE 20 -9.910 2.860 -8.884 147 HD2 PHE 20 HD2 PHE 20 -8.383 4.286 -12.641 148 HE1 PHE 20 HE1 PHE 20 -8.654 4.641 -7.699 149 HE2 PHE 20 HE2 PHE 20 -7.127 6.066 -11.455 150 HZ PHE 20 HZ PHE 20 -7.262 6.244 -8.983 151 H GLY 21 H GLY 21 -13.890 2.675 -11.413 152 1HA GLY 21 2HA GLY 21 -13.612 5.490 -12.199 153 2HA GLY 21 1HA GLY 21 -15.118 4.572 -12.149 154 H ARG 22 H ARG 22 -15.947 4.062 -9.906 155 HA ARG 22 HA ARG 22 -15.215 6.249 -8.000 156 1HB ARG 22 2HB ARG 22 -17.607 6.077 -9.297 157 2HB ARG 22 1HB ARG 22 -17.954 5.139 -7.843 158 1HG ARG 22 2HG ARG 22 -18.129 7.032 -6.644 159 2HG ARG 22 1HG ARG 22 -16.479 7.475 -7.082 160 1HD ARG 22 2HD ARG 22 -17.155 8.814 -8.840 161 2HD ARG 22 1HD ARG 22 -18.620 7.876 -9.129 162 HE ARG 22 HE ARG 22 -19.062 9.023 -6.651 163 1HH1 ARG 22 2HH1 ARG 22 -18.797 9.913 -9.940 164 2HH1 ARG 22 1HH1 ARG 22 -19.250 11.565 -9.680 165 1HH2 ARG 22 1HH2 ARG 22 -19.366 11.271 -6.229 166 2HH2 ARG 22 2HH2 ARG 22 -19.571 12.332 -7.582 167 H ALA 23 H ALA 23 -14.286 3.412 -8.201 168 HA ALA 23 HA ALA 23 -15.480 1.670 -6.366 169 1HB ALA 23 1HB ALA 23 -13.097 0.868 -5.932 170 2HB ALA 23 2HB ALA 23 -12.563 2.178 -6.985 171 3HB ALA 23 3HB ALA 23 -13.596 0.899 -7.623 172 HA PRO 24 HA PRO 24 -14.957 4.348 -2.770 173 1HB PRO 24 2HB PRO 24 -16.896 3.082 -1.291 174 2HB PRO 24 1HB PRO 24 -17.245 4.333 -2.498 175 1HG PRO 24 2HG PRO 24 -17.660 1.386 -2.674 176 2HG PRO 24 1HG PRO 24 -18.505 2.693 -3.523 177 1HD PRO 24 2HD PRO 24 -16.472 1.037 -4.609 178 2HD PRO 24 1HD PRO 24 -17.113 2.528 -5.334 179 H TYR 25 H TYR 25 -13.168 2.067 -3.250 180 HA TYR 25 HA TYR 25 -12.607 1.387 -0.450 181 1HB TYR 25 2HB TYR 25 -13.328 -0.714 -2.512 182 2HB TYR 25 1HB TYR 25 -12.459 -1.084 -1.023 183 HD1 TYR 25 HD1 TYR 25 -13.595 0.163 1.138 184 HD2 TYR 25 HD2 TYR 25 -15.626 -1.073 -2.443 185 HE1 TYR 25 HE1 TYR 25 -15.742 0.097 2.379 186 HE2 TYR 25 HE2 TYR 25 -17.774 -1.139 -1.201 187 HH TYR 25 HH TYR 25 -18.790 -0.294 0.759 188 H PHE 26 H PHE 26 -10.913 2.916 -1.509 189 HA PHE 26 HA PHE 26 -9.009 1.621 -3.318 190 1HB PHE 26 2HB PHE 26 -9.424 4.060 -3.421 191 2HB PHE 26 1HB PHE 26 -8.803 4.227 -1.779 192 HD1 PHE 26 HD1 PHE 26 -7.466 1.888 -4.332 193 HD2 PHE 26 HD2 PHE 26 -6.889 5.603 -2.249 194 HE1 PHE 26 HE1 PHE 26 -5.155 2.027 -5.220 195 HE2 PHE 26 HE2 PHE 26 -4.577 5.742 -3.138 196 HZ PHE 26 HZ PHE 26 -3.710 3.954 -4.623 197 H MET 27 H MET 27 -7.482 0.224 -2.591 198 HA MET 27 HA MET 27 -6.714 0.347 0.287 199 1HB MET 27 2HB MET 27 -7.598 -1.810 -0.803 200 2HB MET 27 1HB MET 27 -6.053 -1.876 -1.651 201 1HG MET 27 2HG MET 27 -4.886 -1.757 0.556 202 2HG MET 27 1HG MET 27 -6.458 -1.836 1.352 203 1HE MET 27 1HE MET 27 -7.764 -3.614 1.779 204 2HE MET 27 2HE MET 27 -6.336 -4.125 2.674 205 3HE MET 27 3HE MET 27 -7.247 -5.305 1.735 206 H ILE 28 H ILE 28 -4.393 0.032 0.790 207 HA ILE 28 HA ILE 28 -2.503 0.614 -1.411 208 HB ILE 28 HB ILE 28 -3.272 2.834 -0.551 209 1HG1 ILE 28 2HG1 ILE 28 -0.741 3.343 0.365 210 2HG1 ILE 28 1HG1 ILE 28 -0.497 1.818 -0.487 211 1HG2 ILE 28 1HG2 ILE 28 -2.720 3.490 1.727 212 2HG2 ILE 28 2HG2 ILE 28 -1.957 1.929 2.029 213 3HG2 ILE 28 3HG2 ILE 28 -3.701 2.025 1.786 214 1HD1 ILE 28 1HD1 ILE 28 -1.785 4.310 -1.639 215 2HD1 ILE 28 2HD1 ILE 28 -1.602 2.775 -2.489 216 3HD1 ILE 28 3HD1 ILE 28 -0.175 3.702 -2.026 217 H VAL 29 H VAL 29 -0.590 -0.451 -1.060 218 HA VAL 29 HA VAL 29 0.146 -1.182 1.724 219 HB VAL 29 HB VAL 29 0.028 -3.199 -0.539 220 1HG1 VAL 29 1HG1 VAL 29 0.825 -3.320 2.376 221 2HG1 VAL 29 2HG1 VAL 29 1.763 -3.819 0.967 222 3HG1 VAL 29 3HG1 VAL 29 0.363 -4.764 1.474 223 1HG2 VAL 29 1HG2 VAL 29 -1.705 -4.146 1.278 224 2HG2 VAL 29 2HG2 VAL 29 -2.211 -3.046 -0.005 225 3HG2 VAL 29 3HG2 VAL 29 -1.891 -2.424 1.614 226 H GLU 30 H GLU 30 2.268 -0.708 2.007 227 HA GLU 30 HA GLU 30 3.965 -0.351 -0.411 228 1HB GLU 30 2HB GLU 30 4.988 0.331 2.304 229 2HB GLU 30 1HB GLU 30 5.182 1.197 0.780 230 1HG GLU 30 2HG GLU 30 2.587 1.597 1.016 231 2HG GLU 30 1HG GLU 30 2.895 1.273 2.722 232 H MET 31 H MET 31 6.351 -1.024 -0.009 233 HA MET 31 HA MET 31 6.517 -3.501 1.634 234 1HB MET 31 2HB MET 31 6.059 -3.699 -1.035 235 2HB MET 31 1HB MET 31 7.823 -3.625 -1.026 236 1HG MET 31 2HG MET 31 7.968 -5.513 0.466 237 2HG MET 31 1HG MET 31 6.223 -5.509 0.724 238 1HE MET 31 1HE MET 31 4.690 -5.314 -1.055 239 2HE MET 31 2HE MET 31 4.502 -7.059 -1.202 240 3HE MET 31 3HE MET 31 4.756 -6.083 -2.646 241 H LYS 32 H LYS 32 8.528 -3.775 2.575 242 HA LYS 32 HA LYS 32 10.479 -1.582 2.130 243 1HB LYS 32 2HB LYS 32 9.558 -2.768 4.435 244 2HB LYS 32 1HB LYS 32 11.090 -3.605 4.183 245 1HG LYS 32 2HG LYS 32 11.545 -0.855 3.627 246 2HG LYS 32 1HG LYS 32 10.655 -0.936 5.148 247 1HD LYS 32 2HD LYS 32 12.724 -1.296 6.042 248 2HD LYS 32 1HD LYS 32 12.440 -2.956 5.517 249 1HE LYS 32 2HE LYS 32 13.802 -2.740 3.637 250 2HE LYS 32 1HE LYS 32 13.618 -0.987 3.582 251 1HZ LYS 32 1HZ LYS 32 15.397 -2.621 5.230 252 2HZ LYS 32 2HZ LYS 32 14.793 -1.185 5.908 253 3HZ LYS 32 3HZ LYS 32 15.691 -1.135 4.466 254 H LYS 33 H LYS 33 10.403 -5.156 2.290 255 HA LYS 33 HA LYS 33 12.510 -5.257 0.233 256 1HB LYS 33 2HB LYS 33 12.973 -5.870 3.102 257 2HB LYS 33 1HB LYS 33 13.609 -7.045 1.950 258 1HG LYS 33 2HG LYS 33 14.477 -4.869 0.709 259 2HG LYS 33 1HG LYS 33 14.348 -4.168 2.323 260 1HD LYS 33 2HD LYS 33 15.695 -6.148 3.173 261 2HD LYS 33 1HD LYS 33 15.995 -6.566 1.485 262 1HE LYS 33 2HE LYS 33 17.851 -5.240 1.936 263 2HE LYS 33 1HE LYS 33 16.729 -4.035 1.309 264 1HZ LYS 33 1HZ LYS 33 16.318 -4.416 4.082 265 2HZ LYS 33 2HZ LYS 33 16.733 -2.996 3.247 266 3HZ LYS 33 3HZ LYS 33 17.949 -4.055 3.788 267 H GLY 34 H GLY 34 9.788 -6.056 0.178 268 1HA GLY 34 2HA GLY 34 8.938 -8.011 -1.007 269 2HA GLY 34 1HA GLY 34 10.148 -8.992 -0.179 270 H ASN 35 H ASN 35 9.185 -7.106 2.234 271 HA ASN 35 HA ASN 35 6.916 -8.914 2.962 272 1HB ASN 35 2HB ASN 35 9.314 -8.009 4.456 273 2HB ASN 35 1HB ASN 35 7.803 -8.019 5.367 274 1HD2 ASN 35 1HD2 ASN 35 9.389 -9.874 6.379 275 2HD2 ASN 35 2HD2 ASN 35 9.069 -11.435 5.793 276 H ILE 36 H ILE 36 5.213 -7.576 2.362 277 HA ILE 36 HA ILE 36 4.984 -4.811 2.535 278 HB ILE 36 HB ILE 36 2.553 -5.153 2.719 279 1HG1 ILE 36 2HG1 ILE 36 3.420 -7.943 3.519 280 2HG1 ILE 36 1HG1 ILE 36 2.382 -6.833 4.414 281 1HG2 ILE 36 1HG2 ILE 36 2.320 -6.227 0.663 282 2HG2 ILE 36 2HG2 ILE 36 3.518 -7.460 1.059 283 3HG2 ILE 36 3HG2 ILE 36 4.038 -5.828 0.638 284 1HD1 ILE 36 1HD1 ILE 36 0.827 -6.969 2.330 285 2HD1 ILE 36 2HD1 ILE 36 0.843 -8.329 3.452 286 3HD1 ILE 36 3HD1 ILE 36 1.742 -8.424 1.937 287 H GLU 37 H GLU 37 5.484 -3.550 4.271 288 HA GLU 37 HA GLU 37 4.740 -4.556 6.985 289 1HB GLU 37 2HB GLU 37 6.835 -2.551 6.103 290 2HB GLU 37 1HB GLU 37 6.412 -2.845 7.790 291 1HG GLU 37 2HG GLU 37 7.012 -5.254 6.161 292 2HG GLU 37 1HG GLU 37 8.379 -4.195 6.513 293 H SER 38 H SER 38 3.148 -2.966 4.858 294 HA SER 38 HA SER 38 1.828 -1.215 6.774 295 1HB SER 38 2HB SER 38 2.144 0.784 5.092 296 2HB SER 38 1HB SER 38 3.390 0.450 6.292 297 HG SER 38 HG SER 38 4.292 0.679 4.221 298 H SER 39 H SER 39 -0.287 -1.510 6.283 299 HA SER 39 HA SER 39 -1.143 -1.406 3.454 300 1HB SER 39 2HB SER 39 -2.559 -3.514 3.905 301 2HB SER 39 1HB SER 39 -0.840 -3.751 3.604 302 HG SER 39 HG SER 39 -1.327 -4.895 5.429 303 H GLU 40 H GLU 40 -2.585 0.261 3.668 304 HA GLU 40 HA GLU 40 -4.568 0.065 5.901 305 1HB GLU 40 2HB GLU 40 -2.918 2.267 4.975 306 2HB GLU 40 1HB GLU 40 -4.629 2.687 4.897 307 1HG GLU 40 2HG GLU 40 -4.797 1.718 7.278 308 2HG GLU 40 1HG GLU 40 -3.036 1.792 7.300 309 H VAL 41 H VAL 41 -6.764 0.741 5.359 310 HA VAL 41 HA VAL 41 -7.341 0.633 2.425 311 HB VAL 41 HB VAL 41 -8.014 -1.495 3.281 312 1HG1 VAL 41 1HG1 VAL 41 -9.815 -1.216 5.298 313 2HG1 VAL 41 2HG1 VAL 41 -8.733 0.131 5.652 314 3HG1 VAL 41 3HG1 VAL 41 -8.097 -1.511 5.565 315 1HG2 VAL 41 1HG2 VAL 41 -10.691 -0.401 3.634 316 2HG2 VAL 41 2HG2 VAL 41 -10.060 -1.400 2.325 317 3HG2 VAL 41 3HG2 VAL 41 -9.863 0.351 2.271 318 H ILE 42 H ILE 42 -8.827 2.143 1.702 319 HA ILE 42 HA ILE 42 -10.271 3.748 3.759 320 HB ILE 42 HB ILE 42 -9.682 5.818 2.615 321 1HG1 ILE 42 2HG1 ILE 42 -7.948 4.131 0.788 322 2HG1 ILE 42 1HG1 ILE 42 -9.549 4.717 0.336 323 1HG2 ILE 42 1HG2 ILE 42 -7.708 4.015 3.781 324 2HG2 ILE 42 2HG2 ILE 42 -7.928 5.746 4.035 325 3HG2 ILE 42 3HG2 ILE 42 -6.969 5.168 2.671 326 1HD1 ILE 42 1HD1 ILE 42 -7.911 6.850 1.449 327 2HD1 ILE 42 2HD1 ILE 42 -8.763 6.786 -0.094 328 3HD1 ILE 42 3HD1 ILE 42 -7.142 6.107 0.047 329 H GLU 43 H GLU 43 -12.291 4.544 3.054 330 HA GLU 43 HA GLU 43 -13.295 3.278 0.556 331 1HB GLU 43 2HB GLU 43 -14.806 4.618 2.824 332 2HB GLU 43 1HB GLU 43 -15.534 3.762 1.464 333 1HG GLU 43 2HG GLU 43 -14.331 1.695 2.158 334 2HG GLU 43 1HG GLU 43 -13.706 2.560 3.563 335 H ASN 44 H ASN 44 -11.707 5.281 -0.173 336 HA ASN 44 HA ASN 44 -11.598 7.383 -1.220 337 1HB ASN 44 2HB ASN 44 -13.695 5.955 -2.284 338 2HB ASN 44 1HB ASN 44 -14.483 7.459 -1.807 339 1HD2 ASN 44 1HD2 ASN 44 -11.943 9.039 -2.183 340 2HD2 ASN 44 2HD2 ASN 44 -11.753 9.187 -3.863 341 HA PRO 45 HA PRO 45 -13.303 9.634 2.361 342 1HB PRO 45 2HB PRO 45 -10.993 11.066 2.791 343 2HB PRO 45 1HB PRO 45 -11.293 9.459 3.476 344 1HG PRO 45 2HG PRO 45 -9.511 10.232 1.213 345 2HG PRO 45 1HG PRO 45 -9.389 8.851 2.316 346 1HD PRO 45 2HD PRO 45 -10.362 8.764 -0.338 347 2HD PRO 45 1HD PRO 45 -10.547 7.487 0.884 348 H SER 46 H SER 46 -12.194 10.450 -0.747 349 HA SER 46 HA SER 46 -13.580 13.061 -0.587 350 1HB SER 46 2HB SER 46 -10.758 12.871 -0.542 351 2HB SER 46 1HB SER 46 -11.189 13.378 -2.173 352 HG SER 46 HG SER 46 -11.529 15.264 -1.330 353 H ALA 47 H ALA 47 -14.385 10.632 -1.818 354 HA ALA 47 HA ALA 47 -13.725 10.271 -4.517 355 1HB ALA 47 1HB ALA 47 -15.237 8.674 -3.825 356 2HB ALA 47 2HB ALA 47 -16.353 9.764 -4.648 357 3HB ALA 47 3HB ALA 47 -16.189 9.828 -2.892 358 H SER 48 H SER 48 -15.906 12.671 -3.074 359 HA SER 48 HA SER 48 -16.146 13.929 -5.776 360 1HB SER 48 2HB SER 48 -18.318 13.297 -4.882 361 2HB SER 48 1HB SER 48 -17.963 14.100 -3.355 362 HG SER 48 HG SER 48 -18.661 15.155 -5.832 363 H ALA 49 H ALA 49 -14.094 15.038 -5.475 364 HA ALA 49 HA ALA 49 -14.411 17.496 -3.851 365 1HB ALA 49 1HB ALA 49 -11.846 15.902 -3.722 366 2HB ALA 49 2HB ALA 49 -13.132 15.700 -2.532 367 3HB ALA 49 3HB ALA 49 -12.333 17.263 -2.712 368 H SER 50 H SER 50 -12.893 19.194 -4.545 369 HA SER 50 HA SER 50 -12.636 19.397 -7.361 370 1HB SER 50 2HB SER 50 -11.722 20.929 -5.015 371 2HB SER 50 1HB SER 50 -10.696 21.104 -6.435 372 HG SER 50 HG SER 50 -12.785 22.444 -6.063 373 H GLY 51 H GLY 51 -10.339 19.844 -8.384 374 1HA GLY 51 2HA GLY 51 -8.417 18.757 -9.200 375 2HA GLY 51 1HA GLY 51 -7.972 18.664 -7.496 376 H GLY 52 H GLY 52 -10.761 17.091 -9.011 377 1HA GLY 52 2HA GLY 52 -9.546 14.505 -9.294 378 2HA GLY 52 1HA GLY 52 -10.383 14.604 -7.745 379 H ALA 53 H ALA 53 -10.953 13.158 -10.409 380 HA ALA 53 HA ALA 53 -13.851 13.721 -10.364 381 1HB ALA 53 1HB ALA 53 -12.784 15.214 -12.132 382 2HB ALA 53 2HB ALA 53 -14.047 14.131 -12.718 383 3HB ALA 53 3HB ALA 53 -12.350 13.736 -12.993 384 H GLY 54 H GLY 54 -12.105 11.481 -9.586 385 1HA GLY 54 2HA GLY 54 -12.677 9.143 -9.630 386 2HA GLY 54 1HA GLY 54 -13.459 9.392 -11.192 387 H ILE 55 H ILE 55 -12.169 9.387 -13.089 388 HA ILE 55 HA ILE 55 -9.839 7.717 -13.003 389 HB ILE 55 HB ILE 55 -10.896 9.544 -15.182 390 1HG1 ILE 55 2HG1 ILE 55 -12.383 7.671 -14.465 391 2HG1 ILE 55 1HG1 ILE 55 -11.798 7.468 -16.116 392 1HG2 ILE 55 1HG2 ILE 55 -8.485 7.838 -14.987 393 2HG2 ILE 55 2HG2 ILE 55 -8.813 9.208 -16.049 394 3HG2 ILE 55 3HG2 ILE 55 -9.449 7.610 -16.446 395 1HD1 ILE 55 1HD1 ILE 55 -11.527 5.648 -13.969 396 2HD1 ILE 55 2HD1 ILE 55 -9.915 6.299 -14.269 397 3HD1 ILE 55 3HD1 ILE 55 -10.809 5.522 -15.576 398 H ARG 56 H ARG 56 -10.282 11.219 -13.044 399 HA ARG 56 HA ARG 56 -7.502 11.841 -13.551 400 1HB ARG 56 2HB ARG 56 -9.965 13.296 -12.992 401 2HB ARG 56 1HB ARG 56 -8.586 13.995 -12.144 402 1HG ARG 56 2HG ARG 56 -7.957 13.236 -14.903 403 2HG ARG 56 1HG ARG 56 -9.231 14.451 -14.799 404 1HD ARG 56 2HD ARG 56 -7.702 15.692 -13.157 405 2HD ARG 56 1HD ARG 56 -6.423 14.601 -13.692 406 HE ARG 56 HE ARG 56 -7.843 16.524 -15.488 407 1HH1 ARG 56 1HH2 ARG 56 -5.628 13.965 -15.284 408 2HH1 ARG 56 2HH2 ARG 56 -4.435 14.706 -16.297 409 1HH2 ARG 56 2HH1 ARG 56 -6.118 17.728 -16.524 410 2HH2 ARG 56 1HH1 ARG 56 -4.711 16.836 -16.998 411 H THR 57 H THR 57 -9.177 10.687 -10.800 412 HA THR 57 HA THR 57 -7.596 11.924 -8.738 413 HB THR 57 HB THR 57 -9.081 9.278 -8.747 414 HG1 THR 57 HG1 THR 57 -10.063 11.572 -9.000 415 1HG2 THR 57 1HG2 THR 57 -8.093 8.945 -6.752 416 2HG2 THR 57 2HG2 THR 57 -8.978 10.353 -6.162 417 3HG2 THR 57 3HG2 THR 57 -7.342 10.541 -6.795 418 H ALA 58 H ALA 58 -6.915 9.434 -11.015 419 HA ALA 58 HA ALA 58 -5.021 7.880 -9.564 420 1HB ALA 58 1HB ALA 58 -4.424 6.968 -11.617 421 2HB ALA 58 2HB ALA 58 -4.563 8.512 -12.458 422 3HB ALA 58 3HB ALA 58 -6.016 7.622 -12.004 423 H GLN 59 H GLN 59 -4.785 11.060 -11.015 424 HA GLN 59 HA GLN 59 -1.938 11.262 -11.135 425 1HB GLN 59 2HB GLN 59 -4.143 12.957 -11.606 426 2HB GLN 59 1HB GLN 59 -3.163 13.773 -10.389 427 1HG GLN 59 2HG GLN 59 -1.171 13.043 -11.982 428 2HG GLN 59 1HG GLN 59 -2.452 13.017 -13.195 429 1HE2 GLN 59 1HE2 GLN 59 -3.891 15.109 -13.161 430 2HE2 GLN 59 2HE2 GLN 59 -3.072 16.576 -12.921 431 H ILE 60 H ILE 60 -4.222 12.249 -8.564 432 HA ILE 60 HA ILE 60 -2.208 13.122 -6.729 433 HB ILE 60 HB ILE 60 -4.911 11.959 -6.013 434 1HG1 ILE 60 2HG1 ILE 60 -4.681 14.875 -6.269 435 2HG1 ILE 60 1HG1 ILE 60 -4.474 14.028 -7.802 436 1HG2 ILE 60 1HG2 ILE 60 -4.543 13.976 -4.308 437 2HG2 ILE 60 2HG2 ILE 60 -2.846 13.641 -4.656 438 3HG2 ILE 60 3HG2 ILE 60 -3.877 12.375 -3.989 439 1HD1 ILE 60 1HD1 ILE 60 -6.684 13.625 -7.916 440 2HD1 ILE 60 2HD1 ILE 60 -6.904 14.566 -6.441 441 3HD1 ILE 60 3HD1 ILE 60 -6.643 12.824 -6.344 442 H ILE 61 H ILE 61 -3.889 9.987 -7.061 443 HA ILE 61 HA ILE 61 -2.771 8.650 -4.862 444 HB ILE 61 HB ILE 61 -3.373 7.566 -7.629 445 1HG1 ILE 61 2HG1 ILE 61 -4.969 7.670 -5.049 446 2HG1 ILE 61 1HG1 ILE 61 -5.321 8.557 -6.533 447 1HG2 ILE 61 1HG2 ILE 61 -3.598 5.716 -5.389 448 2HG2 ILE 61 2HG2 ILE 61 -1.953 6.328 -5.563 449 3HG2 ILE 61 3HG2 ILE 61 -2.742 5.519 -6.918 450 1HD1 ILE 61 1HD1 ILE 61 -5.115 5.549 -6.541 451 2HD1 ILE 61 2HD1 ILE 61 -5.926 6.601 -7.702 452 3HD1 ILE 61 3HD1 ILE 61 -6.622 6.353 -6.100 453 H ALA 62 H ALA 62 -1.402 8.923 -8.157 454 HA ALA 62 HA ALA 62 0.990 7.460 -7.543 455 1HB ALA 62 1HB ALA 62 0.121 7.937 -9.857 456 2HB ALA 62 2HB ALA 62 1.834 8.305 -9.650 457 3HB ALA 62 3HB ALA 62 0.646 9.608 -9.652 458 H ASN 63 H ASN 63 0.173 10.911 -7.373 459 HA ASN 63 HA ASN 63 2.842 11.827 -6.834 460 1HB ASN 63 2HB ASN 63 0.088 12.949 -6.465 461 2HB ASN 63 1HB ASN 63 1.440 13.747 -5.664 462 1HD2 ASN 63 1HD2 ASN 63 3.052 14.797 -7.005 463 2HD2 ASN 63 2HD2 ASN 63 2.815 15.038 -8.669 464 H ASN 64 H ASN 64 0.709 9.966 -4.961 465 HA ASN 64 HA ASN 64 1.735 10.950 -2.374 466 1HB ASN 64 2HB ASN 64 -0.363 9.010 -3.257 467 2HB ASN 64 1HB ASN 64 0.344 8.791 -1.655 468 1HD2 ASN 64 1HD2 ASN 64 0.714 11.369 -0.736 469 2HD2 ASN 64 2HD2 ASN 64 -0.762 12.204 -0.679 470 H GLY 65 H GLY 65 3.324 9.426 -4.594 471 1HA GLY 65 2HA GLY 65 5.391 8.247 -4.195 472 2HA GLY 65 1HA GLY 65 4.737 7.676 -2.660 473 H VAL 66 H VAL 66 2.147 7.045 -4.194 474 HA VAL 66 HA VAL 66 2.571 4.265 -4.560 475 HB VAL 66 HB VAL 66 0.470 6.069 -5.798 476 1HG1 VAL 66 1HG1 VAL 66 0.681 3.918 -6.995 477 2HG1 VAL 66 2HG1 VAL 66 -0.826 3.989 -6.081 478 3HG1 VAL 66 3HG1 VAL 66 0.535 3.054 -5.464 479 1HG2 VAL 66 1HG2 VAL 66 0.932 5.059 -3.122 480 2HG2 VAL 66 2HG2 VAL 66 -0.584 4.428 -3.763 481 3HG2 VAL 66 3HG2 VAL 66 -0.317 6.168 -3.687 482 H LYS 67 H LYS 67 4.472 4.017 -5.847 483 HA LYS 67 HA LYS 67 4.538 5.097 -8.565 484 1HB LYS 67 2HB LYS 67 6.301 3.170 -7.035 485 2HB LYS 67 1HB LYS 67 6.577 3.557 -8.734 486 1HG LYS 67 2HG LYS 67 6.286 6.058 -7.696 487 2HG LYS 67 1HG LYS 67 7.016 5.221 -6.325 488 1HD LYS 67 2HD LYS 67 8.975 4.742 -7.482 489 2HD LYS 67 1HD LYS 67 8.182 4.815 -9.057 490 1HE LYS 67 2HE LYS 67 8.337 7.109 -9.187 491 2HE LYS 67 1HE LYS 67 8.235 7.319 -7.439 492 1HZ LYS 67 1HZ LYS 67 10.510 7.411 -8.940 493 2HZ LYS 67 2HZ LYS 67 10.571 5.873 -8.223 494 3HZ LYS 67 3HZ LYS 67 10.434 7.260 -7.252 495 H ALA 68 H ALA 68 2.995 2.516 -7.052 496 HA ALA 68 HA ALA 68 2.681 1.131 -9.687 497 1HB ALA 68 1HB ALA 68 2.161 -0.817 -7.791 498 2HB ALA 68 2HB ALA 68 3.517 0.059 -7.081 499 3HB ALA 68 3HB ALA 68 3.670 -0.653 -8.688 500 H VAL 69 H VAL 69 0.547 0.681 -10.235 501 HA VAL 69 HA VAL 69 -1.532 1.039 -8.139 502 HB VAL 69 HB VAL 69 -1.524 2.461 -10.820 503 1HG1 VAL 69 1HG1 VAL 69 -3.552 2.779 -8.611 504 2HG1 VAL 69 2HG1 VAL 69 -3.746 1.537 -9.848 505 3HG1 VAL 69 3HG1 VAL 69 -3.692 3.239 -10.308 506 1HG2 VAL 69 1HG2 VAL 69 -0.514 3.181 -8.226 507 2HG2 VAL 69 2HG2 VAL 69 -1.901 4.202 -8.599 508 3HG2 VAL 69 3HG2 VAL 69 -0.526 4.144 -9.702 509 H ILE 70 H ILE 70 -2.861 -0.695 -8.238 510 HA ILE 70 HA ILE 70 -2.934 -2.311 -10.724 511 HB ILE 70 HB ILE 70 -3.817 -2.784 -7.873 512 1HG1 ILE 70 2HG1 ILE 70 -2.231 -4.586 -7.966 513 2HG1 ILE 70 1HG1 ILE 70 -2.077 -4.439 -9.717 514 1HG2 ILE 70 1HG2 ILE 70 -4.675 -4.995 -8.642 515 2HG2 ILE 70 2HG2 ILE 70 -4.448 -4.475 -10.312 516 3HG2 ILE 70 3HG2 ILE 70 -5.620 -3.651 -9.283 517 1HD1 ILE 70 1HD1 ILE 70 -1.354 -2.198 -7.818 518 2HD1 ILE 70 2HD1 ILE 70 -0.961 -2.328 -9.533 519 3HD1 ILE 70 3HD1 ILE 70 -0.186 -3.400 -8.366 520 H ALA 71 H ALA 71 -4.870 -2.646 -11.887 521 HA ALA 71 HA ALA 71 -7.460 -1.809 -10.998 522 1HB ALA 71 1HB ALA 71 -7.485 0.135 -12.822 523 2HB ALA 71 2HB ALA 71 -5.771 0.213 -12.410 524 3HB ALA 71 3HB ALA 71 -6.990 0.449 -11.159 525 H SER 72 H SER 72 -8.951 -1.536 -13.040 526 HA SER 72 HA SER 72 -7.965 -2.979 -15.412 527 1HB SER 72 2HB SER 72 -10.260 -4.409 -14.954 528 2HB SER 72 1HB SER 72 -8.640 -4.982 -14.570 529 HG SER 72 HG SER 72 -10.658 -4.031 -12.916 530 H SER 73 H SER 73 -8.591 -0.562 -15.857 531 HA SER 73 HA SER 73 -11.417 0.072 -16.002 532 1HB SER 73 2HB SER 73 -8.887 1.392 -16.599 533 2HB SER 73 1HB SER 73 -10.098 1.716 -17.836 534 HG SER 73 HG SER 73 -9.920 2.670 -15.331 535 HA PRO 74 HA PRO 74 -12.397 -1.760 -19.866 536 1HB PRO 74 2HB PRO 74 -14.343 -0.020 -20.725 537 2HB PRO 74 1HB PRO 74 -14.588 -1.200 -19.425 538 1HG PRO 74 2HG PRO 74 -14.215 1.753 -19.233 539 2HG PRO 74 1HG PRO 74 -15.060 0.655 -18.130 540 1HD PRO 74 2HD PRO 74 -12.468 1.726 -17.741 541 2HD PRO 74 1HD PRO 74 -13.193 0.385 -16.828 542 H GLY 75 H GLY 75 -11.856 1.770 -19.978 543 1HA GLY 75 2HA GLY 75 -10.687 1.386 -22.708 544 2HA GLY 75 1HA GLY 75 -11.575 2.840 -22.252 545 HA PRO 76 HA PRO 76 -7.035 3.401 -21.312 546 1HB PRO 76 2HB PRO 76 -6.483 5.185 -23.326 547 2HB PRO 76 1HB PRO 76 -6.298 3.431 -23.498 548 1HG PRO 76 2HG PRO 76 -8.404 5.212 -24.625 549 2HG PRO 76 1HG PRO 76 -7.827 3.644 -25.213 550 1HD PRO 76 2HD PRO 76 -10.221 4.111 -23.754 551 2HD PRO 76 1HD PRO 76 -9.496 2.529 -24.112 552 H ASN 77 H ASN 77 -9.402 4.654 -20.161 553 HA ASN 77 HA ASN 77 -9.144 7.542 -20.402 554 1HB ASN 77 2HB ASN 77 -10.700 5.678 -18.623 555 2HB ASN 77 1HB ASN 77 -10.596 7.393 -18.225 556 1HD2 ASN 77 1HD2 ASN 77 -13.121 6.719 -18.790 557 2HD2 ASN 77 2HD2 ASN 77 -13.574 7.138 -20.372 558 H ALA 78 H ALA 78 -8.731 5.462 -17.513 559 HA ALA 78 HA ALA 78 -6.998 7.428 -16.254 560 1HB ALA 78 1HB ALA 78 -8.539 5.446 -15.263 561 2HB ALA 78 2HB ALA 78 -7.164 6.109 -14.381 562 3HB ALA 78 3HB ALA 78 -6.986 4.611 -15.296 563 H PHE 79 H PHE 79 -6.545 4.634 -18.292 564 HA PHE 79 HA PHE 79 -3.794 4.109 -17.657 565 1HB PHE 79 2HB PHE 79 -5.632 3.465 -19.930 566 2HB PHE 79 1HB PHE 79 -3.898 3.255 -20.177 567 HD1 PHE 79 HD1 PHE 79 -5.900 2.811 -17.051 568 HD2 PHE 79 HD2 PHE 79 -3.574 0.917 -20.129 569 HE1 PHE 79 HE1 PHE 79 -5.979 0.673 -15.795 570 HE2 PHE 79 HE2 PHE 79 -3.653 -1.221 -18.873 571 HZ PHE 79 HZ PHE 79 -4.855 -1.344 -16.706 572 H GLU 80 H GLU 80 -5.357 6.606 -19.480 573 HA GLU 80 HA GLU 80 -3.028 7.299 -21.091 574 1HB GLU 80 2HB GLU 80 -5.753 8.398 -20.632 575 2HB GLU 80 1HB GLU 80 -4.519 9.550 -21.146 576 1HG GLU 80 2HG GLU 80 -3.926 7.788 -22.954 577 2HG GLU 80 1HG GLU 80 -5.501 7.088 -22.580 578 H VAL 81 H VAL 81 -4.564 8.676 -18.167 579 HA VAL 81 HA VAL 81 -2.585 10.744 -17.836 580 HB VAL 81 HB VAL 81 -4.133 9.555 -15.544 581 1HG1 VAL 81 1HG1 VAL 81 -4.243 12.394 -15.739 582 2HG1 VAL 81 2HG1 VAL 81 -2.575 11.912 -16.046 583 3HG1 VAL 81 3HG1 VAL 81 -3.373 11.424 -14.550 584 1HG2 VAL 81 1HG2 VAL 81 -5.965 11.215 -16.330 585 2HG2 VAL 81 2HG2 VAL 81 -5.850 9.667 -17.167 586 3HG2 VAL 81 3HG2 VAL 81 -5.176 11.121 -17.904 587 H LEU 82 H LEU 82 -2.860 7.421 -16.640 588 HA LEU 82 HA LEU 82 -0.585 7.640 -14.852 589 1HB LEU 82 2HB LEU 82 -2.140 5.317 -15.996 590 2HB LEU 82 1HB LEU 82 -0.713 5.070 -14.988 591 HG LEU 82 HG LEU 82 -2.791 6.967 -13.992 592 1HD1 LEU 82 1HD1 LEU 82 -3.099 3.964 -14.140 593 2HD1 LEU 82 2HD1 LEU 82 -4.255 5.202 -14.631 594 3HD1 LEU 82 3HD1 LEU 82 -3.926 4.932 -12.919 595 1HD2 LEU 82 1HD2 LEU 82 -2.040 6.134 -11.848 596 2HD2 LEU 82 2HD2 LEU 82 -0.608 6.450 -12.828 597 3HD2 LEU 82 3HD2 LEU 82 -1.185 4.796 -12.613 598 H ASN 83 H ASN 83 -0.995 5.908 -17.971 599 HA ASN 83 HA ASN 83 1.667 5.161 -18.374 600 1HB ASN 83 2HB ASN 83 0.004 4.417 -19.938 601 2HB ASN 83 1HB ASN 83 -0.413 6.074 -20.376 602 1HD2 ASN 83 1HD2 ASN 83 1.653 3.424 -21.158 603 2HD2 ASN 83 2HD2 ASN 83 2.649 4.241 -22.262 604 H GLU 84 H GLU 84 0.165 8.320 -18.962 605 HA GLU 84 HA GLU 84 2.533 9.467 -20.183 606 1HB GLU 84 2HB GLU 84 -0.149 10.266 -19.725 607 2HB GLU 84 1HB GLU 84 0.874 11.458 -18.922 608 1HG GLU 84 2HG GLU 84 0.714 12.283 -21.122 609 2HG GLU 84 1HG GLU 84 2.256 11.427 -21.123 610 H LEU 85 H LEU 85 1.192 9.404 -16.895 611 HA LEU 85 HA LEU 85 3.093 11.205 -15.733 612 1HB LEU 85 2HB LEU 85 0.877 9.797 -14.832 613 2HB LEU 85 1HB LEU 85 2.214 9.048 -13.958 614 HG LEU 85 HG LEU 85 2.059 12.042 -14.139 615 1HD1 LEU 85 1HD1 LEU 85 0.553 12.213 -12.343 616 2HD1 LEU 85 2HD1 LEU 85 0.761 10.522 -11.885 617 3HD1 LEU 85 3HD1 LEU 85 -0.163 10.938 -13.329 618 1HD2 LEU 85 1HD2 LEU 85 3.474 9.959 -12.587 619 2HD2 LEU 85 2HD2 LEU 85 2.908 11.331 -11.635 620 3HD2 LEU 85 3HD2 LEU 85 3.988 11.593 -13.005 621 H GLY 86 H GLY 86 3.455 8.055 -16.976 622 1HA GLY 86 2HA GLY 86 5.410 6.741 -17.117 623 2HA GLY 86 1HA GLY 86 6.253 7.979 -16.186 624 H ILE 87 H ILE 87 3.279 6.599 -14.991 625 HA ILE 87 HA ILE 87 4.773 5.509 -12.680 626 HB ILE 87 HB ILE 87 1.807 5.855 -13.209 627 1HG1 ILE 87 2HG1 ILE 87 3.251 7.906 -12.791 628 2HG1 ILE 87 1HG1 ILE 87 1.949 7.663 -11.626 629 1HG2 ILE 87 1HG2 ILE 87 1.957 3.988 -11.757 630 2HG2 ILE 87 2HG2 ILE 87 1.725 5.362 -10.677 631 3HG2 ILE 87 3HG2 ILE 87 3.332 4.668 -10.888 632 1HD1 ILE 87 1HD1 ILE 87 3.386 7.149 -9.918 633 2HD1 ILE 87 2HD1 ILE 87 4.501 8.121 -10.879 634 3HD1 ILE 87 3HD1 ILE 87 4.544 6.361 -10.990 635 H LYS 88 H LYS 88 4.231 3.294 -11.907 636 HA LYS 88 HA LYS 88 4.180 1.416 -14.164 637 1HB LYS 88 2HB LYS 88 4.205 0.772 -11.203 638 2HB LYS 88 1HB LYS 88 4.708 -0.275 -12.532 639 1HG LYS 88 2HG LYS 88 6.648 0.999 -12.960 640 2HG LYS 88 1HG LYS 88 6.032 2.396 -12.078 641 1HD LYS 88 2HD LYS 88 7.282 1.636 -10.347 642 2HD LYS 88 1HD LYS 88 6.018 0.422 -10.147 643 1HE LYS 88 2HE LYS 88 7.324 -1.250 -10.966 644 2HE LYS 88 1HE LYS 88 8.007 -0.225 -12.228 645 1HZ LYS 88 1HZ LYS 88 9.248 0.895 -10.319 646 2HZ LYS 88 2HZ LYS 88 9.780 -0.642 -10.810 647 3HZ LYS 88 3HZ LYS 88 8.839 -0.475 -9.405 648 H ILE 89 H ILE 89 2.150 1.136 -15.027 649 HA ILE 89 HA ILE 89 -0.192 1.000 -13.227 650 HB ILE 89 HB ILE 89 0.027 0.835 -16.249 651 1HG1 ILE 89 2HG1 ILE 89 -1.403 3.112 -15.246 652 2HG1 ILE 89 1HG1 ILE 89 0.158 3.028 -14.430 653 1HG2 ILE 89 1HG2 ILE 89 -2.231 0.543 -14.327 654 2HG2 ILE 89 2HG2 ILE 89 -2.013 -0.174 -15.924 655 3HG2 ILE 89 3HG2 ILE 89 -2.536 1.503 -15.774 656 1HD1 ILE 89 1HD1 ILE 89 0.894 4.102 -16.307 657 2HD1 ILE 89 2HD1 ILE 89 -0.457 3.530 -17.286 658 3HD1 ILE 89 3HD1 ILE 89 0.919 2.471 -16.976 659 H TYR 90 H TYR 90 -1.581 -0.867 -13.166 660 HA TYR 90 HA TYR 90 -0.412 -3.369 -14.287 661 1HB TYR 90 2HB TYR 90 -0.688 -2.638 -11.465 662 2HB TYR 90 1HB TYR 90 -1.486 -4.162 -11.855 663 HD1 TYR 90 HD1 TYR 90 -0.179 -5.973 -13.044 664 HD2 TYR 90 HD2 TYR 90 1.687 -2.472 -11.390 665 HE1 TYR 90 HE1 TYR 90 2.025 -7.109 -13.124 666 HE2 TYR 90 HE2 TYR 90 3.891 -3.610 -11.470 667 HH TYR 90 HH TYR 90 4.739 -5.854 -13.188 668 H ARG 91 H ARG 91 -1.966 -4.845 -14.978 669 HA ARG 91 HA ARG 91 -4.769 -3.858 -14.922 670 1HB ARG 91 2HB ARG 91 -3.185 -5.005 -16.933 671 2HB ARG 91 1HB ARG 91 -4.327 -6.270 -16.481 672 1HG ARG 91 2HG ARG 91 -5.685 -3.724 -16.607 673 2HG ARG 91 1HG ARG 91 -4.831 -4.026 -18.121 674 1HD ARG 91 2HD ARG 91 -6.364 -6.291 -16.922 675 2HD ARG 91 1HD ARG 91 -7.282 -4.996 -17.692 676 HE ARG 91 HE ARG 91 -5.138 -5.835 -19.414 677 1HH1 ARG 91 2HH1 ARG 91 -7.626 -7.552 -17.895 678 2HH1 ARG 91 1HH1 ARG 91 -8.304 -8.186 -19.356 679 1HH2 ARG 91 1HH2 ARG 91 -6.251 -6.312 -21.431 680 2HH2 ARG 91 2HH2 ARG 91 -7.525 -7.484 -21.359 681 H ALA 92 H ALA 92 -6.481 -5.226 -14.217 682 HA ALA 92 HA ALA 92 -5.579 -7.434 -12.420 683 1HB ALA 92 1HB ALA 92 -7.042 -6.625 -10.908 684 2HB ALA 92 2HB ALA 92 -8.354 -6.673 -12.087 685 3HB ALA 92 3HB ALA 92 -7.311 -5.254 -11.985 686 H THR 93 H THR 93 -6.454 -9.492 -12.680 687 HA THR 93 HA THR 93 -7.908 -9.951 -15.220 688 HB THR 93 HB THR 93 -7.473 -12.401 -13.876 689 HG1 THR 93 HG1 THR 93 -5.707 -12.128 -12.804 690 1HG2 THR 93 1HG2 THR 93 -7.143 -12.543 -16.137 691 2HG2 THR 93 2HG2 THR 93 -5.461 -12.291 -15.671 692 3HG2 THR 93 3HG2 THR 93 -6.431 -10.932 -16.239 693 H GLY 94 H GLY 94 -8.524 -9.740 -11.844 694 1HA GLY 94 2HA GLY 94 -10.821 -9.602 -11.040 695 2HA GLY 94 1HA GLY 94 -11.302 -10.699 -12.335 696 H THR 95 H THR 95 -8.390 -11.608 -10.817 697 HA THR 95 HA THR 95 -9.681 -13.977 -9.677 698 HB THR 95 HB THR 95 -6.792 -13.051 -9.664 699 HG1 THR 95 HG1 THR 95 -8.153 -13.889 -11.609 700 1HG2 THR 95 1HG2 THR 95 -8.194 -15.289 -8.340 701 2HG2 THR 95 2HG2 THR 95 -6.642 -14.545 -7.954 702 3HG2 THR 95 3HG2 THR 95 -6.748 -15.747 -9.241 703 H SER 96 H SER 96 -7.615 -11.368 -8.335 704 HA SER 96 HA SER 96 -9.213 -10.805 -6.089 705 1HB SER 96 2HB SER 96 -7.599 -13.265 -5.840 706 2HB SER 96 1HB SER 96 -7.425 -12.132 -4.501 707 HG SER 96 HG SER 96 -9.267 -12.909 -3.864 708 H VAL 97 H VAL 97 -8.385 -8.932 -5.267 709 HA VAL 97 HA VAL 97 -5.901 -7.866 -6.228 710 HB VAL 97 HB VAL 97 -6.295 -6.048 -4.600 711 1HG1 VAL 97 1HG1 VAL 97 -8.745 -7.059 -6.073 712 2HG1 VAL 97 2HG1 VAL 97 -7.530 -5.936 -6.682 713 3HG1 VAL 97 3HG1 VAL 97 -8.612 -5.443 -5.380 714 1HG2 VAL 97 1HG2 VAL 97 -8.818 -7.342 -3.668 715 2HG2 VAL 97 2HG2 VAL 97 -7.753 -6.219 -2.823 716 3HG2 VAL 97 3HG2 VAL 97 -7.309 -7.920 -2.960 717 H GLU 98 H GLU 98 -6.719 -9.863 -3.501 718 HA GLU 98 HA GLU 98 -4.442 -9.264 -1.854 719 1HB GLU 98 2HB GLU 98 -6.445 -10.515 -1.055 720 2HB GLU 98 1HB GLU 98 -5.972 -11.875 -2.075 721 1HG GLU 98 2HG GLU 98 -3.659 -11.197 -0.627 722 2HG GLU 98 1HG GLU 98 -4.977 -11.130 0.543 723 H GLU 99 H GLU 99 -5.013 -12.094 -3.981 724 HA GLU 99 HA GLU 99 -2.325 -13.030 -3.901 725 1HB GLU 99 2HB GLU 99 -4.317 -13.332 -6.171 726 2HB GLU 99 1HB GLU 99 -2.916 -14.359 -5.863 727 1HG GLU 99 2HG GLU 99 -5.064 -13.973 -3.779 728 2HG GLU 99 1HG GLU 99 -5.208 -15.209 -5.029 729 H ASN 100 H ASN 100 -3.871 -10.519 -5.795 730 HA ASN 100 HA ASN 100 -1.791 -10.276 -7.785 731 1HB ASN 100 2HB ASN 100 -3.844 -8.276 -6.785 732 2HB ASN 100 1HB ASN 100 -2.814 -8.030 -8.196 733 1HD2 ASN 100 1HD2 ASN 100 -4.893 -7.976 -9.475 734 2HD2 ASN 100 2HD2 ASN 100 -5.631 -9.443 -9.907 735 H LEU 101 H LEU 101 -2.251 -9.002 -4.540 736 HA LEU 101 HA LEU 101 -0.328 -6.907 -4.605 737 1HB LEU 101 2HB LEU 101 -1.830 -7.141 -2.713 738 2HB LEU 101 1HB LEU 101 -1.170 -8.733 -2.336 739 HG LEU 101 HG LEU 101 0.737 -6.439 -2.487 740 1HD1 LEU 101 1HD1 LEU 101 -0.818 -5.341 -1.115 741 2HD1 LEU 101 2HD1 LEU 101 0.205 -6.169 0.059 742 3HD1 LEU 101 3HD1 LEU 101 -1.367 -6.842 -0.372 743 1HD2 LEU 101 1HD2 LEU 101 1.033 -8.115 -0.200 744 2HD2 LEU 101 2HD2 LEU 101 2.053 -8.057 -1.638 745 3HD2 LEU 101 3HD2 LEU 101 0.680 -9.161 -1.576 746 H LYS 102 H LYS 102 0.123 -10.228 -3.327 747 HA LYS 102 HA LYS 102 2.978 -10.004 -3.163 748 1HB LYS 102 2HB LYS 102 1.037 -11.914 -2.468 749 2HB LYS 102 1HB LYS 102 2.083 -12.726 -3.634 750 1HG LYS 102 2HG LYS 102 3.858 -12.741 -2.214 751 2HG LYS 102 1HG LYS 102 3.526 -11.108 -1.634 752 1HD LYS 102 2HD LYS 102 1.503 -12.179 -0.413 753 2HD LYS 102 1HD LYS 102 2.328 -13.712 -0.700 754 1HE LYS 102 2HE LYS 102 3.300 -13.192 1.316 755 2HE LYS 102 1HE LYS 102 4.402 -12.302 0.266 756 1HZ LYS 102 1HZ LYS 102 3.392 -11.064 2.223 757 2HZ LYS 102 2HZ LYS 102 1.943 -11.059 1.336 758 3HZ LYS 102 3HZ LYS 102 3.329 -10.301 0.710 759 H LEU 103 H LEU 103 0.792 -10.875 -5.766 760 HA LEU 103 HA LEU 103 2.719 -12.133 -7.481 761 1HB LEU 103 2HB LEU 103 0.009 -10.947 -7.787 762 2HB LEU 103 1HB LEU 103 0.981 -11.072 -9.254 763 HG LEU 103 HG LEU 103 1.020 -13.471 -7.526 764 1HD1 LEU 103 1HD1 LEU 103 -1.333 -13.705 -9.107 765 2HD1 LEU 103 2HD1 LEU 103 -1.482 -12.216 -8.172 766 3HD1 LEU 103 3HD1 LEU 103 -1.205 -13.751 -7.349 767 1HD2 LEU 103 1HD2 LEU 103 0.877 -12.770 -10.449 768 2HD2 LEU 103 2HD2 LEU 103 0.477 -14.405 -9.923 769 3HD2 LEU 103 3HD2 LEU 103 2.078 -13.741 -9.598 770 H PHE 104 H PHE 104 1.913 -8.773 -6.836 771 HA PHE 104 HA PHE 104 3.148 -7.576 -9.101 772 1HB PHE 104 2HB PHE 104 1.791 -6.225 -7.633 773 2HB PHE 104 1HB PHE 104 2.826 -6.593 -6.253 774 HD1 PHE 104 HD1 PHE 104 5.168 -5.709 -6.172 775 HD2 PHE 104 HD2 PHE 104 2.384 -4.532 -9.227 776 HE1 PHE 104 HE1 PHE 104 6.608 -3.768 -6.736 777 HE2 PHE 104 HE2 PHE 104 3.824 -2.592 -9.792 778 HZ PHE 104 HZ PHE 104 5.936 -2.210 -8.546 779 H THR 105 H THR 105 4.511 -8.865 -6.118 780 HA THR 105 HA THR 105 7.129 -7.711 -6.414 781 HB THR 105 HB THR 105 6.412 -10.330 -5.066 782 HG1 THR 105 HG1 THR 105 6.178 -8.971 -3.218 783 1HG2 THR 105 1HG2 THR 105 8.806 -8.620 -5.229 784 2HG2 THR 105 2HG2 THR 105 8.666 -10.324 -4.797 785 3HG2 THR 105 3HG2 THR 105 8.354 -9.080 -3.587 786 H GLU 106 H GLU 106 5.705 -10.789 -7.497 787 HA GLU 106 HA GLU 106 8.218 -11.677 -8.701 788 1HB GLU 106 2HB GLU 106 5.403 -12.714 -8.589 789 2HB GLU 106 1HB GLU 106 6.510 -13.362 -9.801 790 1HG GLU 106 2HG GLU 106 7.579 -13.141 -7.039 791 2HG GLU 106 1HG GLU 106 6.336 -14.366 -7.297 792 H GLY 107 H GLY 107 6.243 -9.232 -9.539 793 1HA GLY 107 2HA GLY 107 5.658 -8.194 -11.570 794 2HA GLY 107 1HA GLY 107 7.249 -8.758 -12.083 795 H ASN 108 H ASN 108 4.713 -10.996 -11.162 796 HA ASN 108 HA ASN 108 4.878 -12.271 -13.790 797 1HB ASN 108 2HB ASN 108 3.491 -12.857 -11.197 798 2HB ASN 108 1HB ASN 108 2.920 -13.655 -12.663 799 1HD2 ASN 108 1HD2 ASN 108 3.764 -15.724 -11.703 800 2HD2 ASN 108 2HD2 ASN 108 5.425 -16.063 -11.790 801 H LEU 109 H LEU 109 2.606 -10.207 -12.054 802 HA LEU 109 HA LEU 109 0.395 -10.530 -13.860 803 1HB LEU 109 2HB LEU 109 1.197 -8.346 -11.931 804 2HB LEU 109 1HB LEU 109 -0.253 -8.217 -12.928 805 HG LEU 109 HG LEU 109 0.351 -10.525 -11.056 806 1HD1 LEU 109 1HD1 LEU 109 -1.865 -8.550 -10.639 807 2HD1 LEU 109 2HD1 LEU 109 -0.231 -8.102 -10.151 808 3HD1 LEU 109 3HD1 LEU 109 -1.001 -9.526 -9.452 809 1HD2 LEU 109 1HD2 LEU 109 -1.203 -11.532 -12.368 810 2HD2 LEU 109 2HD2 LEU 109 -1.646 -10.014 -13.149 811 3HD2 LEU 109 3HD2 LEU 109 -2.363 -10.451 -11.597 812 H GLU 110 H GLU 110 -0.344 -8.243 -14.979 813 HA GLU 110 HA GLU 110 1.923 -7.574 -16.806 814 1HB GLU 110 2HB GLU 110 0.273 -7.090 -18.498 815 2HB GLU 110 1HB GLU 110 -0.145 -8.650 -17.789 816 1HG GLU 110 2HG GLU 110 -1.826 -7.605 -16.368 817 2HG GLU 110 1HG GLU 110 -1.356 -6.004 -16.938 818 H GLU 111 H GLU 111 2.409 -5.398 -17.201 819 HA GLU 111 HA GLU 111 0.774 -3.363 -15.765 820 1HB GLU 111 2HB GLU 111 2.975 -2.261 -15.097 821 2HB GLU 111 1HB GLU 111 2.591 -3.757 -14.245 822 1HG GLU 111 2HG GLU 111 4.475 -4.716 -15.009 823 2HG GLU 111 1HG GLU 111 3.994 -4.390 -16.675 824 H ILE 112 H ILE 112 2.042 -1.086 -16.422 825 HA ILE 112 HA ILE 112 2.778 -1.184 -19.287 826 HB ILE 112 HB ILE 112 0.361 0.271 -18.191 827 1HG1 ILE 112 2HG1 ILE 112 -0.253 -0.922 -20.612 828 2HG1 ILE 112 1HG1 ILE 112 0.868 -2.074 -19.884 829 1HG2 ILE 112 1HG2 ILE 112 1.350 1.937 -19.524 830 2HG2 ILE 112 2HG2 ILE 112 0.283 1.111 -20.660 831 3HG2 ILE 112 3HG2 ILE 112 2.012 0.763 -20.662 832 1HD1 ILE 112 1HD1 ILE 112 -0.587 -2.638 -18.226 833 2HD1 ILE 112 2HD1 ILE 112 -1.805 -1.989 -19.325 834 3HD1 ILE 112 3HD1 ILE 112 -1.156 -0.980 -18.032 835 H ARG 113 H ARG 113 3.991 0.649 -19.929 836 HA ARG 113 HA ARG 113 4.240 3.068 -18.460 837 1HB ARG 113 2HB ARG 113 5.217 1.267 -16.837 838 2HB ARG 113 1HB ARG 113 6.612 1.298 -17.916 839 1HG ARG 113 2HG ARG 113 6.070 3.986 -17.535 840 2HG ARG 113 1HG ARG 113 5.737 3.286 -15.949 841 1HD ARG 113 2HD ARG 113 7.920 2.666 -15.612 842 2HD ARG 113 1HD ARG 113 8.204 2.350 -17.323 843 HE ARG 113 HE ARG 113 8.189 4.932 -17.539 844 1HH1 ARG 113 1HH2 ARG 113 9.786 2.983 -15.264 845 2HH1 ARG 113 2HH2 ARG 113 10.522 4.301 -14.416 846 1HH2 ARG 113 2HH1 ARG 113 8.833 6.743 -16.205 847 2HH2 ARG 113 1HH1 ARG 113 9.982 6.430 -14.949 848 H SER 114 H SER 114 6.673 0.832 -19.851 849 HA SER 114 HA SER 114 6.819 2.321 -22.338 850 1HB SER 114 2HB SER 114 9.469 2.516 -21.164 851 2HB SER 114 1HB SER 114 8.487 3.774 -21.909 852 HG SER 114 HG SER 114 8.630 4.377 -19.825 853 HA PRO 115 HA PRO 115 8.373 -1.975 -22.513 854 1HB PRO 115 2HB PRO 115 6.828 -2.656 -24.680 855 2HB PRO 115 1HB PRO 115 6.270 -2.777 -23.003 856 1HG PRO 115 2HG PRO 115 5.537 -0.775 -25.084 857 2HG PRO 115 1HG PRO 115 4.616 -1.310 -23.669 858 1HD PRO 115 2HD PRO 115 6.089 1.108 -23.891 859 2HD PRO 115 1HD PRO 115 5.407 0.426 -22.399 860 H GLY 116 H GLY 116 9.037 0.755 -24.101 861 1HA GLY 116 2HA GLY 116 10.785 -0.639 -26.049 862 2HA GLY 116 1HA GLY 116 9.699 0.603 -26.674 863 H SER 117 H SER 117 12.515 0.833 -26.857 864 HA SER 117 HA SER 117 13.072 3.002 -24.873 865 1HB SER 117 2HB SER 117 14.647 1.088 -24.751 866 2HB SER 117 1HB SER 117 15.041 1.318 -26.453 867 HG SER 117 HG SER 117 15.756 3.427 -25.901 868 H GLY 118 H GLY 118 12.375 2.346 -28.118 869 1HA GLY 118 2HA GLY 118 13.985 4.355 -29.406 870 2HA GLY 118 1HA GLY 118 12.506 3.655 -30.066 871 H ARG 119 H ARG 119 10.809 4.406 -27.842 872 HA ARG 119 HA ARG 119 9.785 6.855 -28.662 873 1HB ARG 119 2HB ARG 119 8.852 7.062 -26.327 874 2HB ARG 119 1HB ARG 119 8.562 5.495 -27.081 875 1HG ARG 119 2HG ARG 119 9.613 4.489 -25.367 876 2HG ARG 119 1HG ARG 119 11.093 5.354 -25.784 877 1HD ARG 119 2HD ARG 119 10.739 6.090 -23.601 878 2HD ARG 119 1HD ARG 119 9.933 7.356 -24.527 879 HE ARG 119 HE ARG 119 7.913 5.538 -24.083 880 1HH1 ARG 119 2HH1 ARG 119 10.190 7.287 -22.169 881 2HH1 ARG 119 1HH1 ARG 119 9.223 7.234 -20.734 882 1HH2 ARG 119 1HH2 ARG 119 6.679 5.383 -22.194 883 2HH2 ARG 119 2HH2 ARG 119 7.238 6.155 -20.747 884 H GLY 120 H GLY 120 9.925 9.019 -27.643 885 1HA GLY 120 2HA GLY 120 11.655 10.001 -25.771 886 2HA GLY 120 1HA GLY 120 12.724 9.745 -27.152 887 H ARG 121 H ARG 121 10.189 11.724 -25.843 888 HA ARG 121 HA ARG 121 10.797 13.941 -27.521 889 1HB ARG 121 2HB ARG 121 8.780 12.028 -28.553 890 2HB ARG 121 1HB ARG 121 8.309 13.728 -28.599 891 1HG ARG 121 2HG ARG 121 11.003 13.617 -29.470 892 2HG ARG 121 1HG ARG 121 10.147 12.329 -30.318 893 1HD ARG 121 2HD ARG 121 8.508 14.705 -30.230 894 2HD ARG 121 1HD ARG 121 10.088 15.090 -30.910 895 HE ARG 121 HE ARG 121 9.533 12.909 -32.351 896 1HH1 ARG 121 1HH2 ARG 121 6.694 13.748 -31.084 897 2HH1 ARG 121 2HH2 ARG 121 5.955 14.363 -32.525 898 1HH2 ARG 121 2HH1 ARG 121 8.916 14.444 -34.328 899 2HH2 ARG 121 1HH1 ARG 121 7.214 14.757 -34.361 900 H ARG 122 H ARG 122 10.540 14.022 -24.912 901 HA ARG 122 HA ARG 122 7.895 14.348 -23.850 902 1HB ARG 122 2HB ARG 122 10.408 15.717 -22.857 903 2HB ARG 122 1HB ARG 122 8.971 15.305 -21.922 904 1HG ARG 122 2HG ARG 122 9.877 12.912 -23.167 905 2HG ARG 122 1HG ARG 122 11.283 13.686 -22.435 906 1HD ARG 122 2HD ARG 122 10.274 12.275 -20.755 907 2HD ARG 122 1HD ARG 122 9.934 13.950 -20.320 908 HE ARG 122 HE ARG 122 7.853 12.609 -21.917 909 1HH1 ARG 122 2HH1 ARG 122 8.146 11.234 -19.239 910 2HH1 ARG 122 1HH1 ARG 122 7.035 12.135 -18.262 911 1HH2 ARG 122 1HH2 ARG 122 6.812 14.786 -20.485 912 2HH2 ARG 122 2HH2 ARG 122 6.280 14.144 -18.968 913 H ARG 123 H ARG 123 6.509 15.837 -24.707 914 HA ARG 123 HA ARG 123 7.153 18.659 -24.554 915 1HB ARG 123 2HB ARG 123 7.518 17.227 -27.104 916 2HB ARG 123 1HB ARG 123 6.498 18.660 -27.223 917 1HG ARG 123 2HG ARG 123 8.809 19.185 -25.552 918 2HG ARG 123 1HG ARG 123 9.306 18.602 -27.141 919 1HD ARG 123 2HD ARG 123 8.872 21.164 -26.804 920 2HD ARG 123 1HD ARG 123 8.274 20.375 -28.262 921 HE ARG 123 HE ARG 123 6.458 20.662 -25.916 922 1HH1 ARG 123 2HH1 ARG 123 6.004 19.752 -28.915 923 2HH1 ARG 123 1HH1 ARG 123 5.072 21.103 -29.471 924 1HH2 ARG 123 1HH2 ARG 123 5.831 23.091 -26.733 925 2HH2 ARG 123 2HH2 ARG 123 4.977 22.994 -28.237 926 H ARG 124 HN ARG 124 5.239 19.512 -23.921 927 HA ARG 124 HA ARG 124 2.770 18.230 -23.847 928 1HB ARG 124 2HB ARG 124 3.472 20.526 -22.862 929 2HB ARG 124 1HB ARG 124 2.945 21.190 -24.409 930 1HG ARG 124 2HG ARG 124 0.962 19.338 -23.449 931 2HG ARG 124 1HG ARG 124 1.325 20.511 -22.183 932 1HD ARG 124 2HD ARG 124 0.959 22.356 -23.780 933 2HD ARG 124 1HD ARG 124 0.597 21.186 -25.049 934 HE ARG 124 HE ARG 124 -1.588 21.235 -24.188 935 1HH1 ARG 124 1HH2 ARG 124 -0.719 23.342 -22.115 936 2HH1 ARG 124 2HH2 ARG 124 -1.240 22.579 -20.650 937 1HH2 ARG 124 1HH1 ARG 124 -1.639 19.457 -22.106 938 2HH2 ARG 124 2HH1 ARG 124 -1.761 20.379 -20.644
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