NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22814 | 2jra | 15324 | cing | 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 3.462 43.446 55.729 2 2H MET 1 2H MET 1 5.081 43.008 55.535 3 3H MET 1 3H MET 1 3.866 41.827 55.470 4 HA MET 1 HA MET 1 2.958 42.824 53.455 5 1HB MET 1 1HB MET 1 3.873 45.123 54.151 6 2HB MET 1 2HB MET 1 5.423 44.613 53.478 7 1HG MET 1 1HG MET 1 2.826 44.795 51.952 8 2HG MET 1 2HG MET 1 4.103 45.999 51.942 9 1HE MET 1 1HE MET 1 2.890 44.820 49.312 10 2HE MET 1 2HE MET 1 4.334 44.478 48.355 11 3HE MET 1 3HE MET 1 4.242 45.963 49.296 12 H MET 2 H MET 2 3.374 40.886 52.537 13 HA MET 2 HA MET 2 5.841 39.544 52.619 14 1HB MET 2 1HB MET 2 3.754 38.338 52.368 15 2HB MET 2 2HB MET 2 3.469 39.078 50.813 16 1HG MET 2 1HG MET 2 4.270 36.796 50.552 17 2HG MET 2 2HG MET 2 5.424 37.954 49.893 18 1HE MET 2 1HE MET 2 6.240 34.964 50.416 19 2HE MET 2 2HE MET 2 7.809 35.165 51.199 20 3HE MET 2 3HE MET 2 7.376 36.199 49.841 21 H THR 3 H THR 3 7.512 39.446 51.276 22 HA THR 3 HA THR 3 7.511 41.056 48.809 23 HB THR 3 HB THR 3 10.083 40.835 49.150 24 HG1 THR 3 HG1 THR 3 10.682 39.881 50.936 25 1HG2 THR 3 1HG2 THR 3 8.848 42.961 49.419 26 2HG2 THR 3 2HG2 THR 3 10.131 42.808 50.609 27 3HG2 THR 3 3HG2 THR 3 8.458 42.517 51.079 28 H ALA 4 H ALA 4 7.329 39.847 47.023 29 HA ALA 4 HA ALA 4 8.998 37.549 46.614 30 1HB ALA 4 1HB ALA 4 6.000 37.098 46.678 31 2HB ALA 4 2HB ALA 4 7.146 36.558 47.906 32 3HB ALA 4 3HB ALA 4 7.264 35.913 46.276 33 H SER 5 H SER 5 9.781 38.493 44.791 34 HA SER 5 HA SER 5 7.940 39.233 42.662 35 1HB SER 5 1HB SER 5 10.968 39.282 42.668 36 2HB SER 5 2HB SER 5 9.907 40.095 41.516 37 HG SER 5 HG SER 5 9.066 41.153 43.547 38 H ASP 6 H ASP 6 7.190 37.650 41.406 39 HA ASP 6 HA ASP 6 8.223 35.037 41.400 40 1HB ASP 6 1HB ASP 6 5.915 35.411 40.902 41 2HB ASP 6 2HB ASP 6 6.307 36.366 39.473 42 H ARG 7 H ARG 7 9.418 33.868 39.915 43 HA ARG 7 HA ARG 7 10.731 35.362 37.745 44 1HB ARG 7 1HB ARG 7 12.820 34.007 38.289 45 2HB ARG 7 2HB ARG 7 12.408 35.295 39.411 46 1HG ARG 7 1HG ARG 7 11.522 33.736 41.004 47 2HG ARG 7 2HG ARG 7 11.716 32.395 39.863 48 1HD ARG 7 1HD ARG 7 14.046 34.027 40.853 49 2HD ARG 7 2HD ARG 7 13.483 32.579 41.669 50 HE ARG 7 HE ARG 7 14.008 31.326 39.655 51 1HH1 ARG 7 1HH1 ARG 7 15.338 34.558 39.819 52 2HH1 ARG 7 2HH1 ARG 7 16.698 34.193 38.821 53 1HH2 ARG 7 1HH2 ARG 7 15.812 30.828 38.342 54 2HH2 ARG 7 2HH2 ARG 7 16.960 32.073 37.959 55 H LEU 8 H LEU 8 8.648 33.019 38.293 56 HA LEU 8 HA LEU 8 9.780 30.879 36.713 57 1HB LEU 8 1HB LEU 8 6.973 31.282 37.798 58 2HB LEU 8 2HB LEU 8 7.537 29.835 36.968 59 HG LEU 8 HG LEU 8 8.632 30.868 39.592 60 1HD1 LEU 8 1HD1 LEU 8 7.491 28.913 40.566 61 2HD1 LEU 8 2HD1 LEU 8 6.742 28.586 39.006 62 3HD1 LEU 8 3HD1 LEU 8 6.363 30.075 39.882 63 1HD2 LEU 8 1HD2 LEU 8 10.297 29.619 38.313 64 2HD2 LEU 8 2HD2 LEU 8 9.154 28.297 38.083 65 3HD2 LEU 8 3HD2 LEU 8 9.747 28.676 39.695 66 H GLY 9 H GLY 9 10.140 31.654 34.649 67 1HA GLY 9 1HA GLY 9 7.757 32.481 33.096 68 2HA GLY 9 2HA GLY 9 9.288 33.327 32.941 69 H ALA 10 H ALA 10 8.946 29.842 33.297 70 HA ALA 10 HA ALA 10 10.405 29.342 30.891 71 1HB ALA 10 1HB ALA 10 10.003 26.962 31.386 72 2HB ALA 10 2HB ALA 10 8.859 27.428 32.647 73 3HB ALA 10 3HB ALA 10 10.562 27.825 32.814 74 H ASP 11 H ASP 11 9.278 30.227 29.207 75 HA ASP 11 HA ASP 11 6.447 29.736 28.821 76 1HB ASP 11 1HB ASP 11 7.491 31.915 28.274 77 2HB ASP 11 2HB ASP 11 8.477 31.138 27.048 78 HA PRO 12 HA PRO 12 7.295 26.001 26.477 79 1HB PRO 12 1HB PRO 12 4.741 25.325 25.929 80 2HB PRO 12 2HB PRO 12 5.391 25.202 27.566 81 1HG PRO 12 1HG PRO 12 3.698 27.380 26.373 82 2HG PRO 12 2HG PRO 12 3.550 26.569 27.943 83 1HD PRO 12 1HD PRO 12 4.729 29.014 27.668 84 2HD PRO 12 2HD PRO 12 5.189 27.832 28.922 85 H THR 13 H THR 13 8.077 27.972 24.975 86 HA THR 13 HA THR 13 6.536 28.756 22.752 87 HB THR 13 HB THR 13 9.563 28.510 22.826 88 HG1 THR 13 HG1 THR 13 7.790 30.250 24.105 89 1HG2 THR 13 1HG2 THR 13 8.620 28.978 20.606 90 2HG2 THR 13 2HG2 THR 13 9.494 30.381 21.231 91 3HG2 THR 13 3HG2 THR 13 7.724 30.359 21.273 92 H GLN 14 H GLN 14 8.572 25.973 23.376 93 HA GLN 14 HA GLN 14 8.531 24.986 20.686 94 1HB GLN 14 1HB GLN 14 10.363 24.351 22.106 95 2HB GLN 14 2HB GLN 14 9.257 23.673 23.305 96 1HG GLN 14 1HG GLN 14 8.618 21.918 21.757 97 2HG GLN 14 2HG GLN 14 9.666 22.609 20.519 98 1HE2 GLN 14 2HE2 GLN 14 11.891 22.420 20.723 99 2HE2 GLN 14 1HE2 GLN 14 12.620 21.273 21.783 100 H ALA 15 H ALA 15 6.816 24.080 19.730 101 HA ALA 15 HA ALA 15 4.965 22.444 21.326 102 1HB ALA 15 1HB ALA 15 4.059 24.584 19.387 103 2HB ALA 15 2HB ALA 15 3.983 24.701 21.148 104 3HB ALA 15 3HB ALA 15 3.032 23.479 20.298 105 H ALA 16 H ALA 16 4.371 20.627 20.340 106 HA ALA 16 HA ALA 16 4.161 18.962 18.824 107 1HB ALA 16 1HB ALA 16 2.698 20.533 17.680 108 2HB ALA 16 2HB ALA 16 3.560 19.519 16.527 109 3HB ALA 16 3HB ALA 16 4.065 21.183 16.791 110 H SER 17 H SER 17 5.945 21.060 16.607 111 HA SER 17 HA SER 17 7.954 20.847 15.551 112 1HB SER 17 1HB SER 17 8.760 19.527 18.167 113 2HB SER 17 2HB SER 17 9.861 20.220 16.973 114 HG SER 17 HG SER 17 8.173 22.117 17.513 115 H SER 18 H SER 18 5.940 18.653 15.372 116 HA SER 18 HA SER 18 7.744 16.387 14.781 117 1HB SER 18 1HB SER 18 4.837 16.240 15.628 118 2HB SER 18 2HB SER 18 5.892 14.869 15.308 119 HG SER 18 HG SER 18 6.782 16.702 17.199 120 HA PRO 19 HA PRO 19 5.784 17.423 10.747 121 1HB PRO 19 1HB PRO 19 7.987 17.166 9.251 122 2HB PRO 19 2HB PRO 19 7.671 18.630 10.168 123 1HG PRO 19 1HG PRO 19 9.508 16.361 10.778 124 2HG PRO 19 2HG PRO 19 9.742 18.097 11.034 125 1HD PRO 19 1HD PRO 19 8.995 16.321 13.019 126 2HD PRO 19 2HD PRO 19 8.726 18.064 13.079 127 H GLY 20 H GLY 20 5.247 15.989 9.002 128 1HA GLY 20 1HA GLY 20 6.120 13.204 9.407 129 2HA GLY 20 2HA GLY 20 4.408 13.590 9.308 130 H GLY 21 H GLY 21 7.109 14.891 7.361 131 1HA GLY 21 1HA GLY 21 5.831 14.426 4.881 132 2HA GLY 21 2HA GLY 21 7.546 14.771 5.111 133 H ALA 22 H ALA 22 8.603 12.787 6.350 134 HA ALA 22 HA ALA 22 8.200 10.403 4.732 135 1HB ALA 22 1HB ALA 22 10.478 11.143 5.267 136 2HB ALA 22 2HB ALA 22 10.173 9.535 5.905 137 3HB ALA 22 3HB ALA 22 10.145 10.932 6.981 138 H ARG 23 H ARG 23 6.451 9.224 5.297 139 HA ARG 23 HA ARG 23 5.615 9.094 8.107 140 1HB ARG 23 1HB ARG 23 3.987 7.778 5.969 141 2HB ARG 23 2HB ARG 23 3.485 8.736 7.350 142 1HG ARG 23 1HG ARG 23 3.914 10.785 6.220 143 2HG ARG 23 2HG ARG 23 4.799 9.956 4.931 144 1HD ARG 23 1HD ARG 23 2.599 8.787 4.385 145 2HD ARG 23 2HD ARG 23 1.826 9.915 5.480 146 HE ARG 23 HE ARG 23 3.317 11.426 3.686 147 1HH1 ARG 23 1HH1 ARG 23 0.576 9.235 3.492 148 2HH1 ARG 23 2HH1 ARG 23 -0.062 10.007 2.071 149 1HH2 ARG 23 1HH2 ARG 23 2.445 12.411 1.840 150 2HH2 ARG 23 2HH2 ARG 23 0.978 11.792 1.144 151 H ALA 24 H ALA 24 6.127 7.333 9.292 152 HA ALA 24 HA ALA 24 6.998 4.877 7.926 153 1HB ALA 24 1HB ALA 24 7.950 4.226 10.071 154 2HB ALA 24 2HB ALA 24 7.242 5.653 10.836 155 3HB ALA 24 3HB ALA 24 8.492 5.838 9.607 156 H VAL 25 H VAL 25 5.350 3.536 7.480 157 HA VAL 25 HA VAL 25 3.265 3.121 9.530 158 HB VAL 25 HB VAL 25 1.892 2.159 7.718 159 1HG1 VAL 25 1HG1 VAL 25 1.421 4.248 6.506 160 2HG1 VAL 25 2HG1 VAL 25 2.912 4.944 7.122 161 3HG1 VAL 25 3HG1 VAL 25 1.613 4.520 8.242 162 1HG2 VAL 25 1HG2 VAL 25 4.255 2.901 6.001 163 2HG2 VAL 25 2HG2 VAL 25 2.662 2.524 5.346 164 3HG2 VAL 25 3HG2 VAL 25 3.560 1.306 6.244 165 H SER 26 H SER 26 2.720 0.994 10.158 166 HA SER 26 HA SER 26 4.808 -0.968 9.504 167 1HB SER 26 1HB SER 26 4.090 -2.029 11.698 168 2HB SER 26 2HB SER 26 4.881 -0.463 11.826 169 HG SER 26 HG SER 26 2.226 -0.118 11.570 170 H ILE 27 H ILE 27 4.215 -3.185 9.534 171 HA ILE 27 HA ILE 27 1.542 -3.738 8.436 172 HB ILE 27 HB ILE 27 4.238 -4.677 7.415 173 1HG1 ILE 27 1HG1 ILE 27 3.174 -4.139 5.180 174 2HG1 ILE 27 2HG1 ILE 27 1.803 -3.481 6.085 175 1HG2 ILE 27 1HG2 ILE 27 3.005 -6.698 7.726 176 2HG2 ILE 27 2HG2 ILE 27 3.009 -6.338 6.003 177 3HG2 ILE 27 3HG2 ILE 27 1.559 -6.021 6.983 178 1HD1 ILE 27 1HD1 ILE 27 3.237 -1.691 5.377 179 2HD1 ILE 27 2HD1 ILE 27 4.628 -2.469 6.135 180 3HD1 ILE 27 3HD1 ILE 27 3.317 -1.855 7.129 181 H VAL 28 H VAL 28 0.514 -5.297 9.524 182 HA VAL 28 HA VAL 28 2.029 -6.749 11.587 183 HB VAL 28 HB VAL 28 -0.247 -7.222 12.589 184 1HG1 VAL 28 1HG1 VAL 28 -0.516 -4.995 13.573 185 2HG1 VAL 28 2HG1 VAL 28 0.501 -4.314 12.296 186 3HG1 VAL 28 3HG1 VAL 28 1.189 -5.443 13.458 187 1HG2 VAL 28 1HG2 VAL 28 -2.154 -5.824 11.887 188 2HG2 VAL 28 2HG2 VAL 28 -1.625 -6.883 10.572 189 3HG2 VAL 28 3HG2 VAL 28 -1.192 -5.180 10.552 190 H GLY 29 H GLY 29 2.824 -8.505 10.565 191 1HA GLY 29 1HA GLY 29 2.746 -10.689 9.754 192 2HA GLY 29 2HA GLY 29 0.992 -10.599 9.728 193 H ASN 30 H ASN 30 0.008 -9.337 7.998 194 HA ASN 30 HA ASN 30 1.641 -8.388 5.820 195 1HB ASN 30 1HB ASN 30 0.758 -9.744 4.080 196 2HB ASN 30 2HB ASN 30 1.364 -10.839 5.304 197 1HD2 ASN 30 2HD2 ASN 30 -0.703 -11.162 3.198 198 2HD2 ASN 30 1HD2 ASN 30 -2.118 -11.729 4.026 199 H GLN 31 H GLN 31 -0.412 -7.542 7.829 200 HA GLN 31 HA GLN 31 -2.533 -6.519 6.015 201 1HB GLN 31 1HB GLN 31 -3.096 -8.069 8.046 202 2HB GLN 31 2HB GLN 31 -2.753 -6.668 9.038 203 1HG GLN 31 1HG GLN 31 -4.772 -6.601 6.820 204 2HG GLN 31 2HG GLN 31 -5.170 -7.184 8.433 205 1HE2 GLN 31 2HE2 GLN 31 -3.454 -5.255 9.798 206 2HE2 GLN 31 1HE2 GLN 31 -4.246 -3.719 9.668 207 H ILE 32 H ILE 32 -3.296 -4.324 6.521 208 HA ILE 32 HA ILE 32 -1.686 -2.555 8.104 209 HB ILE 32 HB ILE 32 -0.161 -2.772 6.165 210 1HG1 ILE 32 1HG1 ILE 32 -1.536 -0.075 6.225 211 2HG1 ILE 32 2HG1 ILE 32 -0.312 -0.608 7.362 212 1HG2 ILE 32 1HG2 ILE 32 -1.799 -3.374 4.464 213 2HG2 ILE 32 2HG2 ILE 32 -0.819 -1.997 3.949 214 3HG2 ILE 32 3HG2 ILE 32 -2.461 -1.739 4.527 215 1HD1 ILE 32 1HD1 ILE 32 1.343 -0.716 5.568 216 2HD1 ILE 32 2HD1 ILE 32 0.601 0.890 5.673 217 3HD1 ILE 32 3HD1 ILE 32 0.099 -0.231 4.396 218 H ASP 33 H ASP 33 -2.639 -0.437 8.238 219 HA ASP 33 HA ASP 33 -5.448 -0.417 7.403 220 1HB ASP 33 1HB ASP 33 -4.983 -0.030 9.791 221 2HB ASP 33 2HB ASP 33 -3.948 1.343 9.361 222 H SER 34 H SER 34 -6.232 0.987 5.909 223 HA SER 34 HA SER 34 -4.567 2.234 4.107 224 1HB SER 34 1HB SER 34 -6.845 1.470 3.610 225 2HB SER 34 2HB SER 34 -7.493 2.763 4.624 226 HG SER 34 HG SER 34 -5.817 3.293 2.415 227 H ARG 35 H ARG 35 -6.179 3.589 6.952 228 HA ARG 35 HA ARG 35 -5.953 6.305 6.175 229 1HB ARG 35 1HB ARG 35 -6.441 4.986 8.846 230 2HB ARG 35 2HB ARG 35 -6.258 6.727 8.712 231 1HG ARG 35 1HG ARG 35 -8.587 6.236 8.713 232 2HG ARG 35 2HG ARG 35 -8.165 6.725 7.089 233 1HD ARG 35 1HD ARG 35 -9.648 4.842 6.981 234 2HD ARG 35 2HD ARG 35 -8.055 4.323 6.441 235 HE ARG 35 HE ARG 35 -7.804 3.090 8.465 236 1HH1 ARG 35 1HH1 ARG 35 -10.949 4.652 8.229 237 2HH1 ARG 35 2HH1 ARG 35 -11.670 3.668 9.475 238 1HH2 ARG 35 1HH2 ARG 35 -8.761 1.768 10.011 239 2HH2 ARG 35 2HH2 ARG 35 -10.423 2.008 10.471 240 H GLU 36 H GLU 36 -3.797 4.073 7.813 241 HA GLU 36 HA GLU 36 -1.899 5.851 8.829 242 1HB GLU 36 1HB GLU 36 -1.456 3.125 7.587 243 2HB GLU 36 2HB GLU 36 -0.281 3.983 8.576 244 1HG GLU 36 1HG GLU 36 -3.038 3.159 9.518 245 2HG GLU 36 2HG GLU 36 -1.578 2.200 9.769 246 H LEU 37 H LEU 37 -2.267 4.492 5.580 247 HA LEU 37 HA LEU 37 0.116 5.718 4.529 248 1HB LEU 37 1HB LEU 37 -2.298 4.586 3.077 249 2HB LEU 37 2HB LEU 37 -0.753 4.975 2.345 250 HG LEU 37 HG LEU 37 -1.185 2.843 4.461 251 1HD1 LEU 37 1HD1 LEU 37 -2.229 2.203 2.358 252 2HD1 LEU 37 2HD1 LEU 37 -0.783 1.248 2.628 253 3HD1 LEU 37 3HD1 LEU 37 -0.741 2.574 1.475 254 1HD2 LEU 37 1HD2 LEU 37 1.055 3.804 4.541 255 2HD2 LEU 37 2HD2 LEU 37 1.253 3.547 2.811 256 3HD2 LEU 37 3HD2 LEU 37 1.115 2.164 3.905 257 H PHE 38 H PHE 38 -3.364 6.363 4.182 258 HA PHE 38 HA PHE 38 -2.835 8.795 2.642 259 1HB PHE 38 1HB PHE 38 -5.430 7.444 3.458 260 2HB PHE 38 2HB PHE 38 -5.303 8.831 2.371 261 HD1 PHE 38 HD1 PHE 38 -4.258 8.563 0.136 262 HD2 PHE 38 HD2 PHE 38 -4.979 5.236 2.698 263 HE1 PHE 38 HE1 PHE 38 -4.005 7.035 -1.767 264 HE2 PHE 38 HE2 PHE 38 -4.713 3.704 0.784 265 HZ PHE 38 HZ PHE 38 -4.212 4.611 -1.441 266 H THR 39 H THR 39 -2.065 8.737 5.450 267 HA THR 39 HA THR 39 -3.895 10.146 7.064 268 HB THR 39 HB THR 39 -2.055 8.891 8.059 269 HG1 THR 39 HG1 THR 39 -1.578 11.620 8.680 270 1HG2 THR 39 1HG2 THR 39 -0.352 9.327 6.345 271 2HG2 THR 39 2HG2 THR 39 0.246 9.669 7.959 272 3HG2 THR 39 3HG2 THR 39 -0.204 10.996 6.893 273 H VAL 40 H VAL 40 -1.587 11.231 4.689 274 HA VAL 40 HA VAL 40 -2.018 14.028 5.452 275 HB VAL 40 HB VAL 40 -0.007 12.899 3.518 276 1HG1 VAL 40 1HG1 VAL 40 -0.604 15.183 2.931 277 2HG1 VAL 40 2HG1 VAL 40 1.020 15.129 3.619 278 3HG1 VAL 40 3HG1 VAL 40 -0.335 15.706 4.605 279 1HG2 VAL 40 1HG2 VAL 40 1.664 13.492 5.276 280 2HG2 VAL 40 2HG2 VAL 40 0.557 12.207 5.768 281 3HG2 VAL 40 3HG2 VAL 40 0.319 13.835 6.378 282 H ASP 41 H ASP 41 -1.364 12.554 2.326 283 HA ASP 41 HA ASP 41 -3.540 14.109 1.126 284 1HB ASP 41 1HB ASP 41 -2.365 13.171 -1.041 285 2HB ASP 41 2HB ASP 41 -1.648 14.519 -0.175 286 H ARG 42 H ARG 42 -4.459 12.697 -0.944 287 HA ARG 42 HA ARG 42 -5.423 10.234 0.330 288 1HB ARG 42 1HB ARG 42 -7.019 12.208 -0.012 289 2HB ARG 42 2HB ARG 42 -6.890 11.876 -1.741 290 1HG ARG 42 1HG ARG 42 -7.887 9.713 -1.456 291 2HG ARG 42 2HG ARG 42 -7.827 9.855 0.300 292 1HD ARG 42 1HD ARG 42 -10.080 10.261 -0.590 293 2HD ARG 42 2HD ARG 42 -9.443 11.669 0.245 294 HE ARG 42 HE ARG 42 -9.584 11.368 -2.701 295 1HH1 ARG 42 1HH1 ARG 42 -9.538 13.395 0.188 296 2HH1 ARG 42 2HH1 ARG 42 -9.887 14.842 -0.692 297 1HH2 ARG 42 1HH2 ARG 42 -10.049 13.281 -3.828 298 2HH2 ARG 42 2HH2 ARG 42 -10.173 14.785 -2.969 299 H GLU 43 H GLU 43 -3.112 10.773 -1.550 300 HA GLU 43 HA GLU 43 -3.629 8.465 -3.216 301 1HB GLU 43 1HB GLU 43 -4.189 10.266 -4.759 302 2HB GLU 43 2HB GLU 43 -2.689 11.094 -4.389 303 1HG GLU 43 1HG GLU 43 -1.385 9.403 -5.484 304 2HG GLU 43 2HG GLU 43 -2.811 8.380 -5.690 305 H ILE 44 H ILE 44 -1.886 7.227 -3.512 306 HA ILE 44 HA ILE 44 0.712 8.158 -2.401 307 HB ILE 44 HB ILE 44 -0.599 5.436 -1.966 308 1HG1 ILE 44 1HG1 ILE 44 -1.469 7.234 -0.498 309 2HG1 ILE 44 2HG1 ILE 44 -0.579 6.020 0.403 310 1HG2 ILE 44 1HG2 ILE 44 1.756 5.099 -2.313 311 2HG2 ILE 44 2HG2 ILE 44 1.380 4.922 -0.596 312 3HG2 ILE 44 3HG2 ILE 44 2.136 6.398 -1.169 313 1HD1 ILE 44 1HD1 ILE 44 1.330 7.496 0.516 314 2HD1 ILE 44 2HD1 ILE 44 -0.099 8.286 1.192 315 3HD1 ILE 44 3HD1 ILE 44 0.468 8.721 -0.416 316 H VAL 45 H VAL 45 2.519 7.360 -3.472 317 HA VAL 45 HA VAL 45 2.007 6.121 -6.112 318 HB VAL 45 HB VAL 45 4.481 7.623 -5.192 319 1HG1 VAL 45 1HG1 VAL 45 3.584 6.714 -7.945 320 2HG1 VAL 45 2HG1 VAL 45 4.946 6.093 -7.021 321 3HG1 VAL 45 3HG1 VAL 45 4.980 7.744 -7.620 322 1HG2 VAL 45 1HG2 VAL 45 3.628 9.493 -6.581 323 2HG2 VAL 45 2HG2 VAL 45 2.601 9.147 -5.184 324 3HG2 VAL 45 3HG2 VAL 45 2.120 8.616 -6.796 325 H ILE 46 H ILE 46 3.238 4.342 -6.752 326 HA ILE 46 HA ILE 46 4.773 2.975 -4.657 327 HB ILE 46 HB ILE 46 2.572 1.645 -6.254 328 1HG1 ILE 46 1HG1 ILE 46 2.729 2.301 -3.301 329 2HG1 ILE 46 2HG1 ILE 46 1.660 3.058 -4.491 330 1HG2 ILE 46 1HG2 ILE 46 3.063 -0.349 -4.955 331 2HG2 ILE 46 2HG2 ILE 46 4.370 0.496 -4.118 332 3HG2 ILE 46 3HG2 ILE 46 4.491 0.173 -5.849 333 1HD1 ILE 46 1HD1 ILE 46 0.411 1.497 -3.166 334 2HD1 ILE 46 2HD1 ILE 46 1.563 0.205 -3.522 335 3HD1 ILE 46 3HD1 ILE 46 0.555 0.868 -4.816 336 H ALA 47 H ALA 47 6.738 2.726 -5.593 337 HA ALA 47 HA ALA 47 6.972 2.402 -8.474 338 1HB ALA 47 1HB ALA 47 8.504 3.898 -7.300 339 2HB ALA 47 2HB ALA 47 9.383 2.559 -8.059 340 3HB ALA 47 3HB ALA 47 9.084 2.552 -6.313 341 H HIS 48 H HIS 48 7.507 0.530 -9.497 342 HA HIS 48 HA HIS 48 8.370 -1.817 -7.972 343 1HB HIS 48 1HB HIS 48 6.017 -2.107 -7.934 344 2HB HIS 48 2HB HIS 48 5.856 -1.708 -9.629 345 HD1 HIS 48 HD1 HIS 48 7.369 -4.411 -7.445 346 HD2 HIS 48 HD2 HIS 48 5.977 -3.855 -11.320 347 HE1 HIS 48 HE1 HIS 48 7.455 -6.674 -8.547 348 HE2 HIS 48 HE2 HIS 48 6.874 -6.246 -10.939 349 H GLY 49 H GLY 49 10.365 -1.834 -9.033 350 1HA GLY 49 1HA GLY 49 11.536 -3.071 -10.648 351 2HA GLY 49 2HA GLY 49 10.146 -2.970 -11.726 352 H ASP 50 H ASP 50 9.754 -1.086 -12.873 353 HA ASP 50 HA ASP 50 11.751 1.037 -12.715 354 1HB ASP 50 1HB ASP 50 12.479 -0.589 -14.485 355 2HB ASP 50 2HB ASP 50 10.969 -0.242 -15.341 356 H ASP 51 H ASP 51 8.560 -0.005 -13.024 357 HA ASP 51 HA ASP 51 7.650 2.542 -14.199 358 1HB ASP 51 1HB ASP 51 6.857 0.376 -15.180 359 2HB ASP 51 2HB ASP 51 6.086 0.012 -13.644 360 H ARG 52 H ARG 52 5.434 3.251 -13.174 361 HA ARG 52 HA ARG 52 5.702 3.175 -10.250 362 1HB ARG 52 1HB ARG 52 5.522 5.650 -11.992 363 2HB ARG 52 2HB ARG 52 5.263 5.658 -10.249 364 1HG ARG 52 1HG ARG 52 7.493 5.072 -9.806 365 2HG ARG 52 2HG ARG 52 7.806 4.641 -11.487 366 1HD ARG 52 1HD ARG 52 7.114 7.424 -10.528 367 2HD ARG 52 2HD ARG 52 8.767 6.841 -10.746 368 HE ARG 52 HE ARG 52 7.403 6.365 -13.141 369 1HH1 ARG 52 1HH1 ARG 52 8.449 9.091 -11.192 370 2HH1 ARG 52 2HH1 ARG 52 8.658 10.149 -12.559 371 1HH2 ARG 52 1HH2 ARG 52 7.708 7.753 -14.968 372 2HH2 ARG 52 2HH2 ARG 52 8.257 9.383 -14.684 373 H TYR 53 H TYR 53 3.820 2.988 -9.242 374 HA TYR 53 HA TYR 53 1.339 3.256 -10.816 375 1HB TYR 53 1HB TYR 53 1.931 1.465 -8.433 376 2HB TYR 53 2HB TYR 53 0.388 1.552 -9.281 377 HD1 TYR 53 HD1 TYR 53 3.993 0.681 -9.791 378 HD2 TYR 53 HD2 TYR 53 0.012 0.204 -11.185 379 HE1 TYR 53 HE1 TYR 53 4.746 -1.045 -11.381 380 HE2 TYR 53 HE2 TYR 53 0.749 -1.516 -12.777 381 HH TYR 53 HH TYR 53 2.818 -2.177 -13.896 382 H ARG 54 H ARG 54 -0.596 3.691 -9.364 383 HA ARG 54 HA ARG 54 0.087 5.426 -7.105 384 1HB ARG 54 1HB ARG 54 -1.715 6.160 -9.436 385 2HB ARG 54 2HB ARG 54 -1.772 6.977 -7.883 386 1HG ARG 54 1HG ARG 54 0.665 7.537 -8.166 387 2HG ARG 54 2HG ARG 54 0.555 6.875 -9.794 388 1HD ARG 54 1HD ARG 54 -1.148 9.143 -8.759 389 2HD ARG 54 2HD ARG 54 0.339 9.358 -9.678 390 HE ARG 54 HE ARG 54 -0.980 7.872 -11.391 391 1HH1 ARG 54 1HH1 ARG 54 -2.310 10.430 -9.360 392 2HH1 ARG 54 2HH1 ARG 54 -3.459 10.950 -10.576 393 1HH2 ARG 54 1HH2 ARG 54 -2.504 8.556 -12.960 394 2HH2 ARG 54 2HH2 ARG 54 -3.584 9.870 -12.598 395 H LEU 55 H LEU 55 -0.797 4.504 -5.427 396 HA LEU 55 HA LEU 55 -3.393 3.186 -5.583 397 1HB LEU 55 1HB LEU 55 -1.608 2.140 -4.246 398 2HB LEU 55 2HB LEU 55 -1.491 3.589 -3.258 399 HG LEU 55 HG LEU 55 -3.811 3.180 -2.456 400 1HD1 LEU 55 1HD1 LEU 55 -4.880 1.033 -2.883 401 2HD1 LEU 55 2HD1 LEU 55 -3.577 0.570 -3.981 402 3HD1 LEU 55 3HD1 LEU 55 -4.651 1.919 -4.380 403 1HD2 LEU 55 1HD2 LEU 55 -1.860 0.900 -2.054 404 2HD2 LEU 55 2HD2 LEU 55 -3.214 1.269 -0.985 405 3HD2 LEU 55 3HD2 LEU 55 -1.894 2.414 -1.151 406 H ARG 56 H ARG 56 -5.187 4.348 -5.347 407 HA ARG 56 HA ARG 56 -4.976 6.920 -3.920 408 1HB ARG 56 1HB ARG 56 -5.136 7.298 -6.341 409 2HB ARG 56 2HB ARG 56 -6.593 6.308 -6.436 410 1HG ARG 56 1HG ARG 56 -7.718 7.960 -4.931 411 2HG ARG 56 2HG ARG 56 -6.280 8.988 -5.036 412 1HD ARG 56 1HD ARG 56 -8.061 8.135 -7.323 413 2HD ARG 56 2HD ARG 56 -7.945 9.751 -6.619 414 HE ARG 56 HE ARG 56 -5.382 9.116 -7.423 415 1HH1 ARG 56 1HH1 ARG 56 -8.493 9.464 -8.977 416 2HH1 ARG 56 2HH1 ARG 56 -7.812 9.861 -10.520 417 1HH2 ARG 56 1HH2 ARG 56 -4.476 9.645 -9.425 418 2HH2 ARG 56 2HH2 ARG 56 -5.523 9.983 -10.783 419 H LEU 57 H LEU 57 -6.667 7.525 -2.644 420 HA LEU 57 HA LEU 57 -8.728 5.495 -2.095 421 1HB LEU 57 1HB LEU 57 -7.013 6.455 -0.324 422 2HB LEU 57 2HB LEU 57 -8.111 7.816 -0.298 423 HG LEU 57 HG LEU 57 -8.929 4.978 0.323 424 1HD1 LEU 57 1HD1 LEU 57 -8.924 5.631 2.656 425 2HD1 LEU 57 2HD1 LEU 57 -8.266 7.205 2.234 426 3HD1 LEU 57 3HD1 LEU 57 -7.320 5.750 1.960 427 1HD2 LEU 57 1HD2 LEU 57 -10.907 6.069 1.351 428 2HD2 LEU 57 2HD2 LEU 57 -10.803 6.296 -0.393 429 3HD2 LEU 57 3HD2 LEU 57 -10.355 7.603 0.687 430 H THR 58 H THR 58 -10.890 6.139 -2.208 431 HA THR 58 HA THR 58 -11.370 8.734 -3.482 432 HB THR 58 HB THR 58 -13.599 7.741 -4.113 433 HG1 THR 58 HG1 THR 58 -12.466 5.448 -2.888 434 1HG2 THR 58 1HG2 THR 58 -11.182 6.090 -4.931 435 2HG2 THR 58 2HG2 THR 58 -11.714 7.596 -5.695 436 3HG2 THR 58 3HG2 THR 58 -12.729 6.159 -5.787 437 H SER 59 H SER 59 -12.976 10.129 -2.679 438 HA SER 59 HA SER 59 -13.416 11.371 -0.719 439 1HB SER 59 1HB SER 59 -15.845 10.801 -0.230 440 2HB SER 59 2HB SER 59 -15.461 11.057 -1.932 441 HG SER 59 HG SER 59 -15.597 8.920 -2.303 442 H GLN 60 H GLN 60 -15.068 8.454 0.321 443 HA GLN 60 HA GLN 60 -13.078 7.780 2.312 444 1HB GLN 60 1HB GLN 60 -14.431 9.527 3.458 445 2HB GLN 60 2HB GLN 60 -15.893 8.575 3.158 446 1HG GLN 60 1HG GLN 60 -15.138 8.324 5.437 447 2HG GLN 60 2HG GLN 60 -15.017 6.776 4.575 448 1HE2 GLN 60 2HE2 GLN 60 -13.686 7.781 6.998 449 2HE2 GLN 60 1HE2 GLN 60 -11.989 7.664 6.712 450 H ASN 61 H ASN 61 -14.700 6.904 -0.099 451 HA ASN 61 HA ASN 61 -16.511 4.863 0.873 452 1HB ASN 61 1HB ASN 61 -15.587 5.468 -1.956 453 2HB ASN 61 2HB ASN 61 -16.897 4.371 -1.524 454 1HD2 ASN 61 2HD2 ASN 61 -17.786 6.221 0.652 455 2HD2 ASN 61 1HD2 ASN 61 -18.612 7.496 -0.162 456 H LYS 62 H LYS 62 -13.707 4.699 -1.321 457 HA LYS 62 HA LYS 62 -12.685 2.351 0.005 458 1HB LYS 62 1HB LYS 62 -12.829 0.878 -1.972 459 2HB LYS 62 2HB LYS 62 -14.424 1.333 -1.394 460 1HG LYS 62 1HG LYS 62 -14.637 2.966 -3.183 461 2HG LYS 62 2HG LYS 62 -13.018 2.563 -3.752 462 1HD LYS 62 1HD LYS 62 -13.711 0.280 -4.239 463 2HD LYS 62 2HD LYS 62 -15.325 0.612 -3.596 464 1HE LYS 62 1HE LYS 62 -14.080 1.909 -6.025 465 2HE LYS 62 2HE LYS 62 -15.347 0.677 -6.042 466 1HZ LYS 62 1HZ LYS 62 -15.594 3.416 -4.905 467 2HZ LYS 62 2HZ LYS 62 -16.789 2.218 -4.835 468 3HZ LYS 62 3HZ LYS 62 -16.309 2.851 -6.337 469 H LEU 63 H LEU 63 -10.979 1.383 -1.883 470 HA LEU 63 HA LEU 63 -9.491 3.703 -2.883 471 1HB LEU 63 1HB LEU 63 -7.357 2.710 -2.143 472 2HB LEU 63 2HB LEU 63 -8.396 3.097 -0.787 473 HG LEU 63 HG LEU 63 -8.230 0.291 -1.898 474 1HD1 LEU 63 1HD1 LEU 63 -6.531 1.487 0.287 475 2HD1 LEU 63 2HD1 LEU 63 -5.960 0.975 -1.295 476 3HD1 LEU 63 3HD1 LEU 63 -6.587 -0.214 -0.156 477 1HD2 LEU 63 1HD2 LEU 63 -10.122 0.785 -0.437 478 2HD2 LEU 63 2HD2 LEU 63 -9.036 1.405 0.798 479 3HD2 LEU 63 3HD2 LEU 63 -8.998 -0.300 0.362 480 H ILE 64 H ILE 64 -7.841 3.023 -4.471 481 HA ILE 64 HA ILE 64 -8.399 0.610 -5.954 482 HB ILE 64 HB ILE 64 -8.889 1.977 -8.091 483 1HG1 ILE 64 1HG1 ILE 64 -10.236 4.108 -7.568 484 2HG1 ILE 64 2HG1 ILE 64 -9.437 4.083 -5.998 485 1HG2 ILE 64 1HG2 ILE 64 -10.570 0.544 -7.035 486 2HG2 ILE 64 2HG2 ILE 64 -11.326 2.018 -7.648 487 3HG2 ILE 64 3HG2 ILE 64 -10.995 1.844 -5.921 488 1HD1 ILE 64 1HD1 ILE 64 -8.040 4.230 -8.658 489 2HD1 ILE 64 2HD1 ILE 64 -7.283 4.311 -7.065 490 3HD1 ILE 64 3HD1 ILE 64 -8.353 5.596 -7.589 491 H LEU 65 H LEU 65 -7.170 0.726 -8.116 492 HA LEU 65 HA LEU 65 -4.523 1.908 -7.579 493 1HB LEU 65 1HB LEU 65 -4.530 -0.575 -7.802 494 2HB LEU 65 2HB LEU 65 -5.258 -0.407 -9.401 495 HG LEU 65 HG LEU 65 -3.215 0.818 -10.139 496 1HD1 LEU 65 1HD1 LEU 65 -1.184 0.695 -8.791 497 2HD1 LEU 65 2HD1 LEU 65 -2.098 -0.050 -7.479 498 3HD1 LEU 65 3HD1 LEU 65 -2.445 1.604 -7.971 499 1HD2 LEU 65 1HD2 LEU 65 -1.796 -1.190 -10.317 500 2HD2 LEU 65 2HD2 LEU 65 -3.489 -1.544 -10.661 501 3HD2 LEU 65 3HD2 LEU 65 -2.794 -1.985 -9.100 502 H THR 66 H THR 66 -3.472 2.939 -9.408 503 HA THR 66 HA THR 66 -4.958 3.502 -11.782 504 HB THR 66 HB THR 66 -6.148 4.989 -10.149 505 HG1 THR 66 HG1 THR 66 -5.542 6.974 -11.535 506 1HG2 THR 66 1HG2 THR 66 -3.481 6.452 -10.015 507 2HG2 THR 66 2HG2 THR 66 -4.285 5.612 -8.692 508 3HG2 THR 66 3HG2 THR 66 -5.023 7.043 -9.387 509 H LYS 67 H LYS 67 -3.719 4.830 -13.253 510 HA LYS 67 HA LYS 67 -0.846 5.005 -12.560 511 1HB LYS 67 1HB LYS 67 -1.952 4.005 -15.196 512 2HB LYS 67 2HB LYS 67 -0.253 4.156 -14.783 513 1HG LYS 67 1HG LYS 67 -0.541 1.913 -14.469 514 2HG LYS 67 2HG LYS 67 -0.915 2.484 -12.843 515 1HD LYS 67 1HD LYS 67 -3.318 2.413 -13.388 516 2HD LYS 67 2HD LYS 67 -2.930 1.840 -15.011 517 1HE LYS 67 1HE LYS 67 -1.802 -0.149 -13.959 518 2HE LYS 67 2HE LYS 67 -2.431 0.396 -12.410 519 1HZ LYS 67 1HZ LYS 67 -4.081 -0.319 -14.783 520 2HZ LYS 67 2HZ LYS 67 -4.676 0.214 -13.288 521 3HZ LYS 67 3HZ LYS 67 -3.867 -1.266 -13.392 522 1H MET 1 1H MET 1 2.612 -6.877 62.070 523 2H MET 1 2H MET 1 2.869 -5.223 61.828 524 3H MET 1 3H MET 1 3.693 -6.025 63.074 525 HA MET 1 HA MET 1 5.186 -5.630 61.251 526 1HB MET 1 1HB MET 1 4.274 -8.531 61.369 527 2HB MET 1 2HB MET 1 5.820 -7.985 60.737 528 1HG MET 1 1HG MET 1 6.417 -7.131 62.958 529 2HG MET 1 2HG MET 1 4.877 -7.672 63.578 530 1HE MET 1 1HE MET 1 5.260 -11.580 63.349 531 2HE MET 1 2HE MET 1 4.589 -10.557 62.075 532 3HE MET 1 3HE MET 1 4.184 -10.242 63.757 533 H MET 2 H MET 2 2.355 -7.536 60.254 534 HA MET 2 HA MET 2 1.076 -7.460 58.396 535 1HB MET 2 1HB MET 2 1.240 -5.043 58.421 536 2HB MET 2 2HB MET 2 2.813 -5.119 57.619 537 1HG MET 2 1HG MET 2 1.749 -6.056 55.633 538 2HG MET 2 2HG MET 2 0.193 -5.980 56.436 539 1HE MET 2 1HE MET 2 2.938 -3.257 56.942 540 2HE MET 2 2HE MET 2 2.651 -2.179 55.569 541 3HE MET 2 3HE MET 2 3.260 -3.827 55.300 542 H THR 3 H THR 3 1.538 -9.385 57.502 543 HA THR 3 HA THR 3 3.906 -9.852 55.958 544 HB THR 3 HB THR 3 2.968 -11.730 57.102 545 HG1 THR 3 HG1 THR 3 3.548 -12.916 55.452 546 1HG2 THR 3 1HG2 THR 3 0.757 -12.664 56.584 547 2HG2 THR 3 2HG2 THR 3 0.423 -11.257 55.561 548 3HG2 THR 3 3HG2 THR 3 0.637 -11.058 57.305 549 H ALA 4 H ALA 4 3.773 -8.072 54.536 550 HA ALA 4 HA ALA 4 1.516 -7.704 52.793 551 1HB ALA 4 1HB ALA 4 4.252 -6.421 52.794 552 2HB ALA 4 2HB ALA 4 2.806 -5.793 53.582 553 3HB ALA 4 3HB ALA 4 2.874 -5.878 51.821 554 H SER 5 H SER 5 1.161 -8.769 50.957 555 HA SER 5 HA SER 5 3.155 -10.517 49.856 556 1HB SER 5 1HB SER 5 0.729 -11.093 49.941 557 2HB SER 5 2HB SER 5 0.409 -9.825 48.746 558 HG SER 5 HG SER 5 0.888 -11.245 47.299 559 H ASP 6 H ASP 6 4.765 -9.102 49.208 560 HA ASP 6 HA ASP 6 4.169 -7.539 46.757 561 1HB ASP 6 1HB ASP 6 6.308 -7.099 48.860 562 2HB ASP 6 2HB ASP 6 6.304 -6.283 47.305 563 H ARG 7 H ARG 7 5.631 -10.276 47.994 564 HA ARG 7 HA ARG 7 7.366 -10.571 45.622 565 1HB ARG 7 1HB ARG 7 8.720 -10.363 47.631 566 2HB ARG 7 2HB ARG 7 7.786 -11.619 48.440 567 1HG ARG 7 1HG ARG 7 8.612 -13.250 46.734 568 2HG ARG 7 2HG ARG 7 9.604 -11.959 46.042 569 1HD ARG 7 1HD ARG 7 10.796 -11.721 48.181 570 2HD ARG 7 2HD ARG 7 9.781 -12.982 48.895 571 HE ARG 7 HE ARG 7 11.101 -13.938 46.570 572 1HH1 ARG 7 1HH1 ARG 7 11.622 -13.189 49.956 573 2HH1 ARG 7 2HH1 ARG 7 12.950 -14.293 50.117 574 1HH2 ARG 7 1HH2 ARG 7 12.828 -15.389 46.778 575 2HH2 ARG 7 2HH2 ARG 7 13.647 -15.558 48.299 576 H LEU 8 H LEU 8 6.026 -11.740 44.304 577 HA LEU 8 HA LEU 8 5.565 -14.489 45.011 578 1HB LEU 8 1HB LEU 8 3.159 -14.509 44.704 579 2HB LEU 8 2HB LEU 8 3.598 -13.501 46.062 580 HG LEU 8 HG LEU 8 2.852 -12.438 43.328 581 1HD1 LEU 8 1HD1 LEU 8 0.681 -11.870 44.332 582 2HD1 LEU 8 2HD1 LEU 8 1.143 -12.727 45.800 583 3HD1 LEU 8 3HD1 LEU 8 0.963 -13.605 44.284 584 1HD2 LEU 8 1HD2 LEU 8 3.154 -11.067 46.004 585 2HD2 LEU 8 2HD2 LEU 8 2.530 -10.299 44.538 586 3HD2 LEU 8 3HD2 LEU 8 4.205 -10.882 44.599 587 H GLY 9 H GLY 9 5.659 -15.734 43.248 588 1HA GLY 9 1HA GLY 9 5.907 -14.477 40.633 589 2HA GLY 9 2HA GLY 9 6.207 -16.176 41.013 590 H ALA 10 H ALA 10 3.543 -13.825 40.932 591 HA ALA 10 HA ALA 10 1.471 -15.740 40.857 592 1HB ALA 10 1HB ALA 10 1.154 -13.443 41.634 593 2HB ALA 10 2HB ALA 10 -0.004 -13.885 40.371 594 3HB ALA 10 3HB ALA 10 1.383 -12.864 39.976 595 H ASP 11 H ASP 11 3.437 -14.350 38.376 596 HA ASP 11 HA ASP 11 1.792 -14.786 36.136 597 1HB ASP 11 1HB ASP 11 4.836 -14.872 36.247 598 2HB ASP 11 2HB ASP 11 3.859 -14.705 34.788 599 HA PRO 12 HA PRO 12 1.823 -19.277 36.293 600 1HB PRO 12 1HB PRO 12 0.332 -19.708 34.062 601 2HB PRO 12 2HB PRO 12 -0.362 -19.184 35.591 602 1HG PRO 12 1HG PRO 12 0.354 -17.545 33.187 603 2HG PRO 12 2HG PRO 12 -1.111 -17.476 34.187 604 1HD PRO 12 1HD PRO 12 0.933 -15.712 34.467 605 2HD PRO 12 2HD PRO 12 -0.068 -16.235 35.848 606 H THR 13 H THR 13 2.861 -17.337 33.580 607 HA THR 13 HA THR 13 5.060 -19.038 32.986 608 HB THR 13 HB THR 13 3.159 -20.305 31.912 609 HG1 THR 13 HG1 THR 13 5.213 -20.591 31.080 610 1HG2 THR 13 1HG2 THR 13 1.795 -18.391 31.200 611 2HG2 THR 13 2HG2 THR 13 2.197 -19.416 29.825 612 3HG2 THR 13 3HG2 THR 13 3.051 -17.896 30.076 613 H GLN 14 H GLN 14 5.819 -18.291 30.525 614 HA GLN 14 HA GLN 14 5.635 -15.340 30.443 615 1HB GLN 14 1HB GLN 14 7.715 -15.968 31.598 616 2HB GLN 14 2HB GLN 14 8.179 -16.967 30.226 617 1HG GLN 14 1HG GLN 14 8.218 -14.959 28.817 618 2HG GLN 14 2HG GLN 14 7.828 -13.977 30.230 619 1HE2 GLN 14 2HE2 GLN 14 10.263 -15.856 28.636 620 2HE2 GLN 14 1HE2 GLN 14 11.596 -15.363 29.621 621 H ALA 15 H ALA 15 4.206 -15.597 28.689 622 HA ALA 15 HA ALA 15 4.998 -17.128 26.362 623 1HB ALA 15 1HB ALA 15 2.645 -17.089 27.080 624 2HB ALA 15 2HB ALA 15 2.831 -16.471 25.438 625 3HB ALA 15 3HB ALA 15 2.577 -15.353 26.770 626 H ALA 16 H ALA 16 6.583 -16.260 25.184 627 HA ALA 16 HA ALA 16 7.092 -13.493 24.879 628 1HB ALA 16 1HB ALA 16 8.001 -15.782 23.143 629 2HB ALA 16 2HB ALA 16 8.821 -15.186 24.592 630 3HB ALA 16 3HB ALA 16 8.698 -14.152 23.165 631 H SER 17 H SER 17 5.171 -12.521 24.267 632 HA SER 17 HA SER 17 3.882 -13.181 21.772 633 1HB SER 17 1HB SER 17 3.557 -10.655 23.415 634 2HB SER 17 2HB SER 17 2.409 -11.331 22.273 635 HG SER 17 HG SER 17 3.111 -13.093 24.253 636 H SER 18 H SER 18 5.568 -13.034 20.280 637 HA SER 18 HA SER 18 6.756 -10.358 19.881 638 1HB SER 18 1HB SER 18 7.952 -13.036 19.107 639 2HB SER 18 2HB SER 18 8.728 -11.458 19.021 640 HG SER 18 HG SER 18 8.106 -11.510 21.452 641 HA PRO 19 HA PRO 19 4.393 -11.015 15.997 642 1HB PRO 19 1HB PRO 19 4.223 -8.366 15.387 643 2HB PRO 19 2HB PRO 19 3.108 -9.163 16.501 644 1HG PRO 19 1HG PRO 19 5.514 -7.485 17.128 645 2HG PRO 19 2HG PRO 19 3.910 -7.465 17.882 646 1HD PRO 19 1HD PRO 19 6.035 -8.739 19.006 647 2HD PRO 19 2HD PRO 19 4.350 -9.323 19.183 648 H GLY 20 H GLY 20 6.534 -11.979 15.414 649 1HA GLY 20 1HA GLY 20 8.754 -10.482 14.571 650 2HA GLY 20 2HA GLY 20 8.395 -12.122 14.067 651 H GLY 21 H GLY 21 5.829 -11.391 12.910 652 1HA GLY 21 1HA GLY 21 6.820 -10.668 10.301 653 2HA GLY 21 2HA GLY 21 5.190 -11.140 10.707 654 H ALA 22 H ALA 22 6.682 -8.553 12.522 655 HA ALA 22 HA ALA 22 4.756 -6.685 11.381 656 1HB ALA 22 1HB ALA 22 5.365 -5.220 13.256 657 2HB ALA 22 2HB ALA 22 6.638 -6.343 13.721 658 3HB ALA 22 3HB ALA 22 4.954 -6.834 13.841 659 H ARG 23 H ARG 23 5.472 -5.813 9.513 660 HA ARG 23 HA ARG 23 8.303 -5.124 9.232 661 1HB ARG 23 1HB ARG 23 7.770 -6.345 7.362 662 2HB ARG 23 2HB ARG 23 6.066 -5.878 7.407 663 1HG ARG 23 1HG ARG 23 7.141 -5.011 5.423 664 2HG ARG 23 2HG ARG 23 6.656 -3.686 6.485 665 1HD ARG 23 1HD ARG 23 8.784 -3.115 5.720 666 2HD ARG 23 2HD ARG 23 9.050 -3.712 7.354 667 HE ARG 23 HE ARG 23 9.688 -5.872 6.153 668 1HH1 ARG 23 1HH1 ARG 23 10.213 -2.674 4.852 669 2HH1 ARG 23 2HH1 ARG 23 11.563 -3.154 3.886 670 1HH2 ARG 23 1HH2 ARG 23 11.488 -6.521 4.846 671 2HH2 ARG 23 2HH2 ARG 23 12.261 -5.314 3.868 672 H ALA 24 H ALA 24 8.913 -3.062 9.423 673 HA ALA 24 HA ALA 24 6.899 -0.932 9.347 674 1HB ALA 24 1HB ALA 24 8.539 0.476 10.464 675 2HB ALA 24 2HB ALA 24 9.755 -0.795 10.300 676 3HB ALA 24 3HB ALA 24 8.339 -1.044 11.327 677 H VAL 25 H VAL 25 6.588 -0.150 7.358 678 HA VAL 25 HA VAL 25 8.948 0.325 5.620 679 HB VAL 25 HB VAL 25 7.338 0.478 3.739 680 1HG1 VAL 25 1HG1 VAL 25 6.762 -1.906 3.600 681 2HG1 VAL 25 2HG1 VAL 25 7.177 -2.088 5.305 682 3HG1 VAL 25 3HG1 VAL 25 8.429 -1.649 4.147 683 1HG2 VAL 25 1HG2 VAL 25 5.286 -0.307 5.840 684 2HG2 VAL 25 2HG2 VAL 25 5.007 -0.344 4.090 685 3HG2 VAL 25 3HG2 VAL 25 5.350 1.190 4.897 686 H SER 26 H SER 26 9.208 2.369 4.646 687 HA SER 26 HA SER 26 7.682 4.500 5.985 688 1HB SER 26 1HB SER 26 9.745 5.898 5.261 689 2HB SER 26 2HB SER 26 9.916 4.769 6.604 690 HG SER 26 HG SER 26 11.091 3.451 5.379 691 H ILE 27 H ILE 27 7.362 6.437 4.811 692 HA ILE 27 HA ILE 27 6.846 6.086 1.925 693 HB ILE 27 HB ILE 27 5.057 7.356 4.030 694 1HG1 ILE 27 1HG1 ILE 27 3.313 5.939 2.782 695 2HG1 ILE 27 2HG1 ILE 27 4.688 5.156 1.993 696 1HG2 ILE 27 1HG2 ILE 27 5.161 8.978 2.281 697 2HG2 ILE 27 2HG2 ILE 27 3.602 8.153 2.194 698 3HG2 ILE 27 3HG2 ILE 27 4.879 7.749 1.046 699 1HD1 ILE 27 1HD1 ILE 27 3.871 3.843 3.851 700 2HD1 ILE 27 2HD1 ILE 27 4.134 5.199 4.954 701 3HD1 ILE 27 3HD1 ILE 27 5.507 4.422 4.175 702 H VAL 28 H VAL 28 7.802 7.620 0.727 703 HA VAL 28 HA VAL 28 9.044 9.871 2.149 704 HB VAL 28 HB VAL 28 10.481 10.106 0.081 705 1HG1 VAL 28 1HG1 VAL 28 10.539 7.486 1.582 706 2HG1 VAL 28 2HG1 VAL 28 11.295 9.004 2.094 707 3HG1 VAL 28 3HG1 VAL 28 11.898 8.150 0.657 708 1HG2 VAL 28 1HG2 VAL 28 9.084 8.982 -1.561 709 2HG2 VAL 28 2HG2 VAL 28 9.193 7.474 -0.648 710 3HG2 VAL 28 3HG2 VAL 28 10.632 8.140 -1.421 711 H GLY 29 H GLY 29 7.546 11.434 2.236 712 1HA GLY 29 1HA GLY 29 6.346 13.249 1.446 713 2HA GLY 29 2HA GLY 29 6.763 12.769 -0.201 714 H ASN 30 H ASN 30 5.599 10.930 -1.139 715 HA ASN 30 HA ASN 30 3.377 9.782 0.328 716 1HB ASN 30 1HB ASN 30 1.611 10.440 -1.133 717 2HB ASN 30 2HB ASN 30 2.460 11.925 -0.717 718 1HD2 ASN 30 2HD2 ASN 30 0.744 11.179 -3.005 719 2HD2 ASN 30 1HD2 ASN 30 1.678 11.540 -4.411 720 H GLN 31 H GLN 31 5.948 9.090 -1.052 721 HA GLN 31 HA GLN 31 4.939 7.190 -3.090 722 1HB GLN 31 1HB GLN 31 6.594 8.897 -3.890 723 2HB GLN 31 2HB GLN 31 7.766 8.234 -2.788 724 1HG GLN 31 1HG GLN 31 7.559 6.049 -3.942 725 2HG GLN 31 2HG GLN 31 6.516 6.846 -5.139 726 1HE2 GLN 31 2HE2 GLN 31 9.756 6.427 -3.951 727 2HE2 GLN 31 1HE2 GLN 31 10.559 7.284 -5.223 728 H ILE 32 H ILE 32 6.053 5.069 -3.140 729 HA ILE 32 HA ILE 32 7.545 4.196 -0.849 730 HB ILE 32 HB ILE 32 5.294 4.222 0.161 731 1HG1 ILE 32 1HG1 ILE 32 6.344 1.427 -0.323 732 2HG1 ILE 32 2HG1 ILE 32 6.917 2.544 0.907 733 1HG2 ILE 32 1HG2 ILE 32 3.544 2.688 -0.620 734 2HG2 ILE 32 2HG2 ILE 32 4.542 2.246 -2.009 735 3HG2 ILE 32 3HG2 ILE 32 3.941 3.904 -1.855 736 1HD1 ILE 32 1HD1 ILE 32 4.716 2.475 1.966 737 2HD1 ILE 32 2HD1 ILE 32 5.454 0.890 1.884 738 3HD1 ILE 32 3HD1 ILE 32 4.163 1.319 0.762 739 H ASP 33 H ASP 33 8.370 2.067 -1.164 740 HA ASP 33 HA ASP 33 8.235 1.177 -3.956 741 1HB ASP 33 1HB ASP 33 10.475 1.464 -3.170 742 2HB ASP 33 2HB ASP 33 10.160 0.574 -1.684 743 H SER 34 H SER 34 7.320 -0.728 -4.600 744 HA SER 34 HA SER 34 5.461 -2.007 -2.984 745 1HB SER 34 1HB SER 34 5.399 -1.919 -5.472 746 2HB SER 34 2HB SER 34 6.782 -3.008 -5.535 747 HG SER 34 HG SER 34 4.570 -3.863 -4.071 748 H ARG 35 H ARG 35 8.818 -2.858 -3.652 749 HA ARG 35 HA ARG 35 8.630 -5.567 -2.808 750 1HB ARG 35 1HB ARG 35 10.991 -3.722 -3.131 751 2HB ARG 35 2HB ARG 35 11.175 -5.382 -2.612 752 1HG ARG 35 1HG ARG 35 9.647 -4.844 -5.117 753 2HG ARG 35 2HG ARG 35 11.408 -4.690 -5.156 754 1HD ARG 35 1HD ARG 35 10.454 -6.942 -5.818 755 2HD ARG 35 2HD ARG 35 11.722 -6.953 -4.604 756 HE ARG 35 HE ARG 35 9.849 -7.187 -2.933 757 1HH1 ARG 35 1HH1 ARG 35 9.417 -8.267 -6.234 758 2HH1 ARG 35 2HH1 ARG 35 8.349 -9.568 -5.799 759 1HH2 ARG 35 1HH2 ARG 35 8.351 -8.837 -2.395 760 2HH2 ARG 35 2HH2 ARG 35 7.706 -9.852 -3.654 761 H GLU 36 H GLU 36 9.188 -2.586 -1.092 762 HA GLU 36 HA GLU 36 10.079 -3.584 1.338 763 1HB GLU 36 1HB GLU 36 8.342 -1.187 0.701 764 2HB GLU 36 2HB GLU 36 8.940 -1.528 2.334 765 1HG GLU 36 1HG GLU 36 10.672 -1.024 -0.091 766 2HG GLU 36 2HG GLU 36 10.312 0.147 1.174 767 H LEU 37 H LEU 37 6.794 -3.228 0.072 768 HA LEU 37 HA LEU 37 5.490 -4.134 2.459 769 1HB LEU 37 1HB LEU 37 4.483 -3.948 -0.385 770 2HB LEU 37 2HB LEU 37 3.479 -4.236 1.031 771 HG LEU 37 HG LEU 37 5.083 -1.710 0.540 772 1HD1 LEU 37 1HD1 LEU 37 2.103 -2.214 0.279 773 2HD1 LEU 37 2HD1 LEU 37 3.219 -1.979 -1.058 774 3HD1 LEU 37 3HD1 LEU 37 2.917 -0.656 0.078 775 1HD2 LEU 37 1HD2 LEU 37 3.016 -2.397 2.645 776 2HD2 LEU 37 2HD2 LEU 37 3.802 -0.823 2.444 777 3HD2 LEU 37 3HD2 LEU 37 4.751 -2.235 2.905 778 H PHE 38 H PHE 38 6.120 -5.603 -0.721 779 HA PHE 38 HA PHE 38 5.061 -8.156 0.154 780 1HB PHE 38 1HB PHE 38 6.201 -7.282 -2.512 781 2HB PHE 38 2HB PHE 38 5.415 -8.826 -2.213 782 HD1 PHE 38 HD2 PHE 38 2.991 -8.836 -1.493 783 HD2 PHE 38 HD1 PHE 38 4.926 -5.372 -3.066 784 HE1 PHE 38 HE2 PHE 38 0.804 -7.862 -2.004 785 HE2 PHE 38 HE1 PHE 38 2.725 -4.390 -3.582 786 HZ PHE 38 HZ PHE 38 0.659 -5.629 -3.070 787 H THR 39 H THR 39 7.505 -7.237 1.425 788 HA THR 39 HA THR 39 9.780 -8.482 0.294 789 HB THR 39 HB THR 39 10.056 -6.646 1.846 790 HG1 THR 39 HG1 THR 39 11.523 -8.681 1.847 791 1HG2 THR 39 1HG2 THR 39 8.859 -8.499 3.917 792 2HG2 THR 39 2HG2 THR 39 8.085 -7.058 3.246 793 3HG2 THR 39 3HG2 THR 39 9.546 -6.912 4.231 794 H VAL 40 H VAL 40 7.209 -9.638 2.375 795 HA VAL 40 HA VAL 40 8.655 -12.159 2.861 796 HB VAL 40 HB VAL 40 6.086 -11.174 4.105 797 1HG1 VAL 40 1HG1 VAL 40 7.815 -13.559 4.764 798 2HG1 VAL 40 2HG1 VAL 40 6.178 -13.595 4.113 799 3HG1 VAL 40 3HG1 VAL 40 6.461 -12.995 5.743 800 1HG2 VAL 40 1HG2 VAL 40 7.970 -9.772 4.792 801 2HG2 VAL 40 2HG2 VAL 40 8.890 -11.212 5.263 802 3HG2 VAL 40 3HG2 VAL 40 7.418 -10.776 6.131 803 H ASP 41 H ASP 41 5.208 -11.490 2.529 804 HA ASP 41 HA ASP 41 4.904 -13.754 0.700 805 1HB ASP 41 1HB ASP 41 3.488 -13.446 2.818 806 2HB ASP 41 2HB ASP 41 2.673 -12.152 1.958 807 H ARG 42 H ARG 42 2.894 -13.162 -0.968 808 HA ARG 42 HA ARG 42 3.808 -10.706 -2.303 809 1HB ARG 42 1HB ARG 42 4.280 -12.975 -3.372 810 2HB ARG 42 2HB ARG 42 2.549 -13.125 -3.608 811 1HG ARG 42 1HG ARG 42 2.564 -11.085 -4.956 812 2HG ARG 42 2HG ARG 42 4.311 -10.975 -4.744 813 1HD ARG 42 1HD ARG 42 2.827 -13.254 -6.084 814 2HD ARG 42 2HD ARG 42 3.709 -11.960 -6.923 815 HE ARG 42 HE ARG 42 5.583 -13.067 -5.279 816 1HH1 ARG 42 1HH1 ARG 42 3.382 -14.358 -7.696 817 2HH1 ARG 42 2HH1 ARG 42 4.468 -15.618 -8.185 818 1HH2 ARG 42 1HH2 ARG 42 7.012 -14.734 -5.944 819 2HH2 ARG 42 2HH2 ARG 42 6.538 -15.825 -7.210 820 H GLU 43 H GLU 43 1.547 -11.232 -0.309 821 HA GLU 43 HA GLU 43 -0.372 -9.589 -1.716 822 1HB GLU 43 1HB GLU 43 -1.278 -11.889 -1.982 823 2HB GLU 43 2HB GLU 43 -1.257 -12.073 -0.232 824 1HG GLU 43 1HG GLU 43 -2.866 -10.265 0.001 825 2HG GLU 43 2HG GLU 43 -2.871 -10.021 -1.741 826 H ILE 44 H ILE 44 -1.346 -8.127 -0.435 827 HA ILE 44 HA ILE 44 -0.700 -8.142 2.440 828 HB ILE 44 HB ILE 44 -0.540 -5.763 0.538 829 1HG1 ILE 44 1HG1 ILE 44 1.413 -7.277 0.477 830 2HG1 ILE 44 2HG1 ILE 44 1.839 -5.698 1.151 831 1HG2 ILE 44 1HG2 ILE 44 0.158 -4.435 2.478 832 2HG2 ILE 44 2HG2 ILE 44 -0.207 -5.808 3.531 833 3HG2 ILE 44 3HG2 ILE 44 -1.508 -5.029 2.630 834 1HD1 ILE 44 1HD1 ILE 44 2.893 -7.512 2.370 835 2HD1 ILE 44 2HD1 ILE 44 1.311 -8.222 2.720 836 3HD1 ILE 44 3HD1 ILE 44 1.750 -6.652 3.397 837 H VAL 45 H VAL 45 -2.326 -7.275 3.763 838 HA VAL 45 HA VAL 45 -4.940 -6.903 2.459 839 HB VAL 45 HB VAL 45 -4.369 -7.582 5.350 840 1HG1 VAL 45 1HG1 VAL 45 -6.770 -8.165 5.438 841 2HG1 VAL 45 2HG1 VAL 45 -6.961 -7.533 3.795 842 3HG1 VAL 45 3HG1 VAL 45 -6.481 -6.452 5.108 843 1HG2 VAL 45 1HG2 VAL 45 -3.673 -9.417 3.854 844 2HG2 VAL 45 2HG2 VAL 45 -5.282 -9.404 3.110 845 3HG2 VAL 45 3HG2 VAL 45 -5.101 -9.853 4.812 846 H ILE 46 H ILE 46 -6.252 -5.134 3.036 847 HA ILE 46 HA ILE 46 -4.909 -2.953 4.473 848 HB ILE 46 HB ILE 46 -6.219 -2.634 1.759 849 1HG1 ILE 46 1HG1 ILE 46 -3.295 -2.334 2.528 850 2HG1 ILE 46 2HG1 ILE 46 -3.961 -3.719 1.667 851 1HG2 ILE 46 1HG2 ILE 46 -5.457 -0.293 1.910 852 2HG2 ILE 46 2HG2 ILE 46 -4.853 -0.615 3.539 853 3HG2 ILE 46 3HG2 ILE 46 -6.579 -0.709 3.211 854 1HD1 ILE 46 1HD1 ILE 46 -3.853 -0.876 0.661 855 2HD1 ILE 46 2HD1 ILE 46 -4.567 -2.235 -0.196 856 3HD1 ILE 46 3HD1 ILE 46 -2.838 -2.216 0.142 857 H ALA 47 H ALA 47 -6.315 -2.583 6.128 858 HA ALA 47 HA ALA 47 -9.171 -2.964 5.735 859 1HB ALA 47 1HB ALA 47 -8.076 -3.712 7.815 860 2HB ALA 47 2HB ALA 47 -9.321 -2.505 8.140 861 3HB ALA 47 3HB ALA 47 -7.614 -2.049 8.171 862 H HIS 48 H HIS 48 -10.642 -1.378 5.523 863 HA HIS 48 HA HIS 48 -9.921 1.410 6.005 864 1HB HIS 48 1HB HIS 48 -9.385 1.313 3.716 865 2HB HIS 48 2HB HIS 48 -10.743 0.261 3.342 866 HD1 HIS 48 HD1 HIS 48 -10.043 3.877 4.261 867 HD2 HIS 48 HD2 HIS 48 -12.997 1.553 2.490 868 HE1 HIS 48 HE1 HIS 48 -11.753 5.513 3.414 869 HE2 HIS 48 HE2 HIS 48 -13.642 4.051 2.562 870 H GLY 49 H GLY 49 -11.409 1.605 7.680 871 1HA GLY 49 1HA GLY 49 -13.474 2.593 8.187 872 2HA GLY 49 2HA GLY 49 -14.144 1.908 6.708 873 H ASP 50 H ASP 50 -14.746 -0.260 6.648 874 HA ASP 50 HA ASP 50 -14.631 -1.789 9.149 875 1HB ASP 50 1HB ASP 50 -16.823 -0.653 9.178 876 2HB ASP 50 2HB ASP 50 -17.201 -1.341 7.610 877 H ASP 51 H ASP 51 -14.367 -1.578 5.793 878 HA ASP 51 HA ASP 51 -14.743 -4.463 5.406 879 1HB ASP 51 1HB ASP 51 -15.959 -2.974 3.854 880 2HB ASP 51 2HB ASP 51 -14.450 -2.184 3.399 881 H ARG 52 H ARG 52 -13.074 -5.346 3.679 882 HA ARG 52 HA ARG 52 -10.394 -4.451 4.435 883 1HB ARG 52 1HB ARG 52 -11.359 -7.325 4.540 884 2HB ARG 52 2HB ARG 52 -9.699 -6.798 4.786 885 1HG ARG 52 1HG ARG 52 -10.430 -5.517 6.773 886 2HG ARG 52 2HG ARG 52 -12.066 -6.156 6.552 887 1HD ARG 52 1HD ARG 52 -9.564 -7.713 7.144 888 2HD ARG 52 2HD ARG 52 -10.941 -7.473 8.206 889 HE ARG 52 HE ARG 52 -12.070 -8.670 6.089 890 1HH1 ARG 52 1HH1 ARG 52 -9.244 -9.455 8.003 891 2HH1 ARG 52 2HH1 ARG 52 -9.394 -11.163 7.741 892 1HH2 ARG 52 1HH2 ARG 52 -12.239 -10.918 5.719 893 2HH2 ARG 52 2HH2 ARG 52 -11.096 -12.004 6.449 894 H TYR 53 H TYR 53 -9.018 -4.418 2.795 895 HA TYR 53 HA TYR 53 -9.882 -5.608 0.222 896 1HB TYR 53 1HB TYR 53 -8.068 -3.183 0.694 897 2HB TYR 53 2HB TYR 53 -8.591 -3.821 -0.876 898 HD1 TYR 53 HD2 TYR 53 -9.973 -2.474 2.312 899 HD2 TYR 53 HD1 TYR 53 -10.463 -2.878 -1.896 900 HE1 TYR 53 HE2 TYR 53 -11.921 -1.000 2.394 901 HE2 TYR 53 HE1 TYR 53 -12.421 -1.397 -1.827 902 HH TYR 53 HH TYR 53 -14.098 -0.643 -0.136 903 H ARG 54 H ARG 54 -7.929 -6.072 -1.235 904 HA ARG 54 HA ARG 54 -5.590 -6.968 0.293 905 1HB ARG 54 1HB ARG 54 -7.015 -8.626 -1.783 906 2HB ARG 54 2HB ARG 54 -5.557 -9.085 -0.927 907 1HG ARG 54 1HG ARG 54 -6.703 -9.462 1.087 908 2HG ARG 54 2HG ARG 54 -8.089 -8.481 0.577 909 1HD ARG 54 1HD ARG 54 -8.692 -10.808 0.541 910 2HD ARG 54 2HD ARG 54 -8.636 -10.198 -1.109 911 HE ARG 54 HE ARG 54 -6.165 -11.409 -0.336 912 1HH1 ARG 54 1HH1 ARG 54 -9.396 -12.140 -1.479 913 2HH1 ARG 54 2HH1 ARG 54 -8.948 -13.688 -2.117 914 1HH2 ARG 54 1HH2 ARG 54 -5.568 -13.460 -1.172 915 2HH2 ARG 54 2HH2 ARG 54 -6.800 -14.438 -1.909 916 H LEU 55 H LEU 55 -3.971 -5.874 -0.500 917 HA LEU 55 HA LEU 55 -3.801 -5.205 -3.339 918 1HB LEU 55 1HB LEU 55 -3.141 -3.529 -1.622 919 2HB LEU 55 2HB LEU 55 -1.876 -4.599 -1.078 920 HG LEU 55 HG LEU 55 -0.766 -4.394 -3.268 921 1HD1 LEU 55 1HD1 LEU 55 -1.529 -2.742 -4.894 922 2HD1 LEU 55 2HD1 LEU 55 -2.969 -2.438 -3.918 923 3HD1 LEU 55 3HD1 LEU 55 -2.721 -4.016 -4.650 924 1HD2 LEU 55 1HD2 LEU 55 -1.382 -1.714 -2.038 925 2HD2 LEU 55 2HD2 LEU 55 0.039 -2.113 -3.013 926 3HD2 LEU 55 3HD2 LEU 55 -0.186 -2.859 -1.427 927 H ARG 56 H ARG 56 -2.886 -6.624 -4.687 928 HA ARG 56 HA ARG 56 -1.032 -8.609 -3.552 929 1HB ARG 56 1HB ARG 56 -3.275 -9.594 -4.039 930 2HB ARG 56 2HB ARG 56 -3.084 -9.136 -5.720 931 1HG ARG 56 1HG ARG 56 -1.218 -10.625 -5.987 932 2HG ARG 56 2HG ARG 56 -1.216 -11.000 -4.259 933 1HD ARG 56 1HD ARG 56 -3.515 -11.938 -4.542 934 2HD ARG 56 2HD ARG 56 -3.359 -11.669 -6.279 935 HE ARG 56 HE ARG 56 -1.590 -13.278 -6.334 936 1HH1 ARG 56 1HH1 ARG 56 -3.406 -13.187 -3.348 937 2HH1 ARG 56 2HH1 ARG 56 -3.008 -14.815 -2.907 938 1HH2 ARG 56 1HH2 ARG 56 -1.017 -15.415 -5.728 939 2HH2 ARG 56 2HH2 ARG 56 -1.627 -16.070 -4.223 940 H LEU 57 H LEU 57 0.693 -9.200 -4.740 941 HA LEU 57 HA LEU 57 1.329 -7.618 -7.153 942 1HB LEU 57 1HB LEU 57 2.855 -7.393 -5.210 943 2HB LEU 57 2HB LEU 57 3.121 -9.127 -5.235 944 HG LEU 57 HG LEU 57 4.116 -8.857 -7.542 945 1HD1 LEU 57 1HD1 LEU 57 3.084 -6.695 -8.068 946 2HD1 LEU 57 2HD1 LEU 57 4.844 -6.650 -8.243 947 3HD1 LEU 57 3HD1 LEU 57 4.053 -5.926 -6.836 948 1HD2 LEU 57 1HD2 LEU 57 5.514 -9.092 -5.514 949 2HD2 LEU 57 2HD2 LEU 57 5.488 -7.348 -5.308 950 3HD2 LEU 57 3HD2 LEU 57 6.265 -8.036 -6.719 951 H THR 58 H THR 58 1.858 -8.739 -9.037 952 HA THR 58 HA THR 58 1.288 -11.611 -9.022 953 HB THR 58 HB THR 58 0.998 -11.341 -11.481 954 HG1 THR 58 HG1 THR 58 1.253 -8.547 -10.948 955 1HG2 THR 58 1HG2 THR 58 -0.964 -11.158 -10.017 956 2HG2 THR 58 2HG2 THR 58 -1.105 -10.112 -11.431 957 3HG2 THR 58 3HG2 THR 58 -0.675 -9.421 -9.868 958 H SER 59 H SER 59 2.705 -13.057 -9.992 959 HA SER 59 HA SER 59 4.934 -13.811 -9.739 960 1HB SER 59 1HB SER 59 4.732 -12.568 -12.501 961 2HB SER 59 2HB SER 59 5.782 -13.917 -12.029 962 HG SER 59 HG SER 59 3.782 -15.015 -11.426 963 H GLN 60 H GLN 60 5.706 -11.136 -11.886 964 HA GLN 60 HA GLN 60 6.988 -9.558 -9.848 965 1HB GLN 60 1HB GLN 60 8.757 -11.194 -10.435 966 2HB GLN 60 2HB GLN 60 8.582 -10.767 -12.136 967 1HG GLN 60 1HG GLN 60 9.342 -8.480 -11.632 968 2HG GLN 60 2HG GLN 60 9.546 -8.919 -9.931 969 1HE2 GLN 60 2HE2 GLN 60 11.242 -10.277 -9.334 970 2HE2 GLN 60 1HE2 GLN 60 12.584 -10.599 -10.382 971 H ASN 61 H ASN 61 4.896 -9.714 -12.048 972 HA ASN 61 HA ASN 61 5.802 -7.963 -14.144 973 1HB ASN 61 1HB ASN 61 2.980 -8.945 -13.648 974 2HB ASN 61 2HB ASN 61 3.624 -8.259 -15.142 975 1HD2 ASN 61 2HD2 ASN 61 3.263 -9.981 -16.469 976 2HD2 ASN 61 1HD2 ASN 61 4.055 -11.507 -16.279 977 H LYS 62 H LYS 62 3.024 -7.758 -11.934 978 HA LYS 62 HA LYS 62 3.543 -4.962 -11.364 979 1HB LYS 62 1HB LYS 62 1.396 -4.169 -12.270 980 2HB LYS 62 2HB LYS 62 2.412 -4.806 -13.552 981 1HG LYS 62 1HG LYS 62 1.121 -6.861 -13.587 982 2HG LYS 62 2HG LYS 62 0.127 -6.303 -12.255 983 1HD LYS 62 1HD LYS 62 -0.603 -4.393 -13.648 984 2HD LYS 62 2HD LYS 62 0.344 -5.027 -14.998 985 1HE LYS 62 1HE LYS 62 -1.029 -7.040 -15.013 986 2HE LYS 62 2HE LYS 62 -1.952 -6.454 -13.638 987 1HZ LYS 62 1HZ LYS 62 -1.801 -5.145 -16.292 988 2HZ LYS 62 2HZ LYS 62 -2.707 -4.601 -14.971 989 3HZ LYS 62 3HZ LYS 62 -3.110 -6.055 -15.717 990 H LEU 63 H LEU 63 1.140 -4.213 -10.360 991 HA LEU 63 HA LEU 63 0.340 -6.315 -8.479 992 1HB LEU 63 1HB LEU 63 0.320 -4.728 -6.615 993 2HB LEU 63 2HB LEU 63 1.931 -4.946 -7.264 994 HG LEU 63 HG LEU 63 0.234 -2.578 -8.044 995 1HD1 LEU 63 1HD1 LEU 63 1.442 -1.283 -6.339 996 2HD1 LEU 63 2HD1 LEU 63 2.171 -2.777 -5.728 997 3HD1 LEU 63 3HD1 LEU 63 0.429 -2.539 -5.621 998 1HD2 LEU 63 1HD2 LEU 63 2.196 -3.089 -9.453 999 2HD2 LEU 63 2HD2 LEU 63 3.232 -2.995 -8.045 1000 3HD2 LEU 63 3HD2 LEU 63 2.373 -1.565 -8.600 1001 H ILE 64 H ILE 64 -1.732 -5.733 -7.381 1002 HA ILE 64 HA ILE 64 -3.495 -4.003 -8.850 1003 HB ILE 64 HB ILE 64 -5.108 -5.947 -9.325 1004 1HG1 ILE 64 1HG1 ILE 64 -3.808 -8.105 -9.908 1005 2HG1 ILE 64 2HG1 ILE 64 -2.542 -7.480 -8.870 1006 1HG2 ILE 64 1HG2 ILE 64 -4.120 -6.423 -11.521 1007 2HG2 ILE 64 2HG2 ILE 64 -2.589 -5.727 -10.960 1008 3HG2 ILE 64 3HG2 ILE 64 -4.026 -4.707 -11.105 1009 1HD1 ILE 64 1HD1 ILE 64 -4.072 -7.495 -6.977 1010 2HD1 ILE 64 2HD1 ILE 64 -3.958 -9.085 -7.726 1011 3HD1 ILE 64 3HD1 ILE 64 -5.377 -8.070 -8.018 1012 H LEU 65 H LEU 65 -5.826 -4.369 -8.016 1013 HA LEU 65 HA LEU 65 -5.685 -4.783 -5.098 1014 1HB LEU 65 1HB LEU 65 -6.425 -2.505 -6.006 1015 2HB LEU 65 2HB LEU 65 -7.826 -3.301 -6.689 1016 HG LEU 65 HG LEU 65 -8.161 -2.020 -4.508 1017 1HD1 LEU 65 1HD1 LEU 65 -9.006 -4.915 -4.476 1018 2HD1 LEU 65 2HD1 LEU 65 -9.842 -3.616 -5.324 1019 3HD1 LEU 65 3HD1 LEU 65 -9.736 -3.598 -3.552 1020 1HD2 LEU 65 1HD2 LEU 65 -7.581 -3.177 -2.420 1021 2HD2 LEU 65 2HD2 LEU 65 -6.157 -2.714 -3.344 1022 3HD2 LEU 65 3HD2 LEU 65 -6.687 -4.397 -3.338 1023 H THR 66 H THR 66 -7.466 -6.025 -4.158 1024 HA THR 66 HA THR 66 -9.239 -7.500 -5.822 1025 HB THR 66 HB THR 66 -7.062 -8.697 -6.274 1026 HG1 THR 66 HG1 THR 66 -8.849 -9.933 -6.558 1027 1HG2 THR 66 1HG2 THR 66 -6.083 -10.096 -4.542 1028 2HG2 THR 66 2HG2 THR 66 -7.281 -9.544 -3.378 1029 3HG2 THR 66 3HG2 THR 66 -6.073 -8.423 -4.003 1030 H LYS 67 H LYS 67 -10.598 -8.960 -4.564 1031 HA LYS 67 HA LYS 67 -10.394 -8.702 -1.639 1032 1HB LYS 67 1HB LYS 67 -12.794 -7.866 -3.268 1033 2HB LYS 67 2HB LYS 67 -12.881 -8.171 -1.539 1034 1HG LYS 67 1HG LYS 67 -11.302 -6.364 -1.138 1035 2HG LYS 67 2HG LYS 67 -11.207 -6.057 -2.875 1036 1HD LYS 67 1HD LYS 67 -12.712 -4.502 -1.660 1037 2HD LYS 67 2HD LYS 67 -13.530 -5.423 -2.925 1038 1HE LYS 67 1HE LYS 67 -14.875 -5.265 -0.864 1039 2HE LYS 67 2HE LYS 67 -14.487 -6.943 -1.268 1040 1HZ LYS 67 1HZ LYS 67 -13.047 -5.284 0.729 1041 2HZ LYS 67 2HZ LYS 67 -12.760 -6.915 0.382 1042 3HZ LYS 67 3HZ LYS 67 -14.217 -6.444 1.092 Start of MODEL 2 1 1H MET 1 1H MET 1 41.108 41.287 -31.237 2 2H MET 1 2H MET 1 39.740 41.500 -32.203 3 3H MET 1 3H MET 1 39.870 40.137 -31.210 4 HA MET 1 HA MET 1 39.816 41.513 -29.235 5 1HB MET 1 1HB MET 1 39.397 43.767 -31.231 6 2HB MET 1 2HB MET 1 39.108 43.918 -29.494 7 1HG MET 1 1HG MET 1 41.769 43.304 -30.800 8 2HG MET 1 2HG MET 1 41.267 44.863 -30.137 9 1HE MET 1 1HE MET 1 43.259 45.142 -28.484 10 2HE MET 1 2HE MET 1 43.929 43.714 -29.267 11 3HE MET 1 3HE MET 1 43.906 43.812 -27.503 12 H MET 2 H MET 2 38.145 40.032 -29.071 13 HA MET 2 HA MET 2 35.503 41.100 -29.789 14 1HB MET 2 1HB MET 2 36.373 38.202 -30.055 15 2HB MET 2 2HB MET 2 34.719 38.775 -30.242 16 1HG MET 2 1HG MET 2 35.669 38.400 -32.404 17 2HG MET 2 2HG MET 2 35.466 40.126 -32.180 18 1HE MET 2 1HE MET 2 38.678 39.966 -34.399 19 2HE MET 2 2HE MET 2 37.073 40.661 -34.201 20 3HE MET 2 3HE MET 2 37.250 38.932 -34.512 21 H THR 3 H THR 3 35.298 41.833 -27.674 22 HA THR 3 HA THR 3 35.748 40.101 -25.425 23 HB THR 3 HB THR 3 36.037 42.578 -25.249 24 HG1 THR 3 HG1 THR 3 35.733 41.577 -23.325 25 1HG2 THR 3 1HG2 THR 3 33.006 42.653 -25.399 26 2HG2 THR 3 2HG2 THR 3 34.091 43.253 -26.642 27 3HG2 THR 3 3HG2 THR 3 34.057 44.018 -25.050 28 H ALA 4 H ALA 4 34.146 39.382 -23.952 29 HA ALA 4 HA ALA 4 31.840 38.263 -25.261 30 1HB ALA 4 1HB ALA 4 33.163 36.959 -23.667 31 2HB ALA 4 2HB ALA 4 31.475 37.103 -23.162 32 3HB ALA 4 3HB ALA 4 32.721 38.068 -22.371 33 H SER 5 H SER 5 30.078 39.422 -25.550 34 HA SER 5 HA SER 5 29.333 41.712 -24.090 35 1HB SER 5 1HB SER 5 27.046 41.241 -25.203 36 2HB SER 5 2HB SER 5 28.424 41.505 -26.265 37 HG SER 5 HG SER 5 26.824 39.396 -26.196 38 H ASP 6 H ASP 6 28.219 41.987 -22.260 39 HA ASP 6 HA ASP 6 28.013 39.854 -20.441 40 1HB ASP 6 1HB ASP 6 27.042 41.451 -18.905 41 2HB ASP 6 2HB ASP 6 28.284 42.289 -19.836 42 H ARG 7 H ARG 7 26.123 39.033 -19.365 43 HA ARG 7 HA ARG 7 23.551 39.228 -20.709 44 1HB ARG 7 1HB ARG 7 23.341 36.786 -20.984 45 2HB ARG 7 2HB ARG 7 24.667 37.422 -21.946 46 1HG ARG 7 1HG ARG 7 26.287 36.593 -20.374 47 2HG ARG 7 2HG ARG 7 25.015 36.115 -19.259 48 1HD ARG 7 1HD ARG 7 24.218 34.472 -20.879 49 2HD ARG 7 2HD ARG 7 25.499 34.956 -21.995 50 HE ARG 7 HE ARG 7 26.703 34.258 -19.580 51 1HH1 ARG 7 1HH1 ARG 7 24.827 32.677 -22.071 52 2HH1 ARG 7 2HH1 ARG 7 25.591 31.144 -21.865 53 1HH2 ARG 7 1HH2 ARG 7 27.744 32.257 -19.318 54 2HH2 ARG 7 2HH2 ARG 7 27.288 30.903 -20.303 55 H LEU 8 H LEU 8 22.142 37.317 -19.470 56 HA LEU 8 HA LEU 8 22.162 38.050 -16.688 57 1HB LEU 8 1HB LEU 8 20.599 35.865 -18.100 58 2HB LEU 8 2HB LEU 8 20.289 36.468 -16.481 59 HG LEU 8 HG LEU 8 20.019 38.117 -19.013 60 1HD1 LEU 8 1HD1 LEU 8 18.317 36.377 -18.929 61 2HD1 LEU 8 2HD1 LEU 8 17.590 37.949 -18.615 62 3HD1 LEU 8 3HD1 LEU 8 17.899 36.842 -17.286 63 1HD2 LEU 8 1HD2 LEU 8 18.844 39.704 -17.525 64 2HD2 LEU 8 2HD2 LEU 8 20.550 39.506 -17.119 65 3HD2 LEU 8 3HD2 LEU 8 19.317 38.723 -16.140 66 H GLY 9 H GLY 9 21.784 35.913 -15.149 67 1HA GLY 9 1HA GLY 9 22.515 33.600 -14.873 68 2HA GLY 9 2HA GLY 9 23.944 33.989 -15.816 69 H ALA 10 H ALA 10 23.970 36.644 -14.170 70 HA ALA 10 HA ALA 10 25.631 35.658 -12.018 71 1HB ALA 10 1HB ALA 10 25.961 37.992 -11.451 72 2HB ALA 10 2HB ALA 10 24.699 38.485 -12.595 73 3HB ALA 10 3HB ALA 10 26.197 37.752 -13.178 74 H ASP 11 H ASP 11 22.367 36.305 -12.523 75 HA ASP 11 HA ASP 11 21.646 36.832 -9.785 76 1HB ASP 11 1HB ASP 11 19.362 36.860 -10.594 77 2HB ASP 11 2HB ASP 11 20.361 37.788 -11.707 78 HA PRO 12 HA PRO 12 21.300 32.604 -8.543 79 1HB PRO 12 1HB PRO 12 19.525 32.803 -6.504 80 2HB PRO 12 2HB PRO 12 21.185 33.413 -6.396 81 1HG PRO 12 1HG PRO 12 18.645 34.920 -6.956 82 2HG PRO 12 2HG PRO 12 19.995 35.356 -5.876 83 1HD PRO 12 1HD PRO 12 19.700 36.377 -8.387 84 2HD PRO 12 2HD PRO 12 21.287 36.144 -7.623 85 H THR 13 H THR 13 20.270 31.019 -9.568 86 HA THR 13 HA THR 13 17.553 31.311 -10.549 87 HB THR 13 HB THR 13 18.004 28.985 -11.487 88 HG1 THR 13 HG1 THR 13 19.664 28.190 -10.324 89 1HG2 THR 13 1HG2 THR 13 19.534 29.802 -13.262 90 2HG2 THR 13 2HG2 THR 13 19.869 31.239 -12.279 91 3HG2 THR 13 3HG2 THR 13 18.244 30.950 -12.907 92 H GLN 14 H GLN 14 18.555 30.803 -7.639 93 HA GLN 14 HA GLN 14 17.758 28.289 -6.760 94 1HB GLN 14 1HB GLN 14 19.106 29.765 -5.375 95 2HB GLN 14 2HB GLN 14 17.785 30.921 -5.266 96 1HG GLN 14 1HG GLN 14 16.449 29.278 -4.052 97 2HG GLN 14 2HG GLN 14 17.759 28.126 -4.176 98 1HE2 GLN 14 2HE2 GLN 14 19.566 28.352 -2.919 99 2HE2 GLN 14 1HE2 GLN 14 19.651 29.415 -1.550 100 H ALA 15 H ALA 15 15.868 27.400 -6.141 101 HA ALA 15 HA ALA 15 13.460 29.042 -5.876 102 1HB ALA 15 1HB ALA 15 13.614 26.698 -7.779 103 2HB ALA 15 2HB ALA 15 13.486 28.397 -8.235 104 3HB ALA 15 3HB ALA 15 12.156 27.598 -7.375 105 H ALA 16 H ALA 16 11.963 28.166 -4.467 106 HA ALA 16 HA ALA 16 12.904 25.842 -2.925 107 1HB ALA 16 1HB ALA 16 12.537 27.906 -1.662 108 2HB ALA 16 2HB ALA 16 11.405 26.655 -1.161 109 3HB ALA 16 3HB ALA 16 10.864 27.956 -2.204 110 H SER 17 H SER 17 12.024 23.965 -3.430 111 HA SER 17 HA SER 17 9.508 23.766 -4.810 112 1HB SER 17 1HB SER 17 11.436 22.284 -5.351 113 2HB SER 17 2HB SER 17 11.332 21.584 -3.761 114 HG SER 17 HG SER 17 9.646 21.290 -5.955 115 H SER 18 H SER 18 8.299 21.559 -3.800 116 HA SER 18 HA SER 18 7.608 22.322 -1.040 117 1HB SER 18 1HB SER 18 5.979 20.719 -3.016 118 2HB SER 18 2HB SER 18 5.442 21.265 -1.431 119 HG SER 18 HG SER 18 4.800 22.987 -2.436 120 HA PRO 19 HA PRO 19 9.762 18.327 -0.380 121 1HB PRO 19 1HB PRO 19 10.202 19.381 2.325 122 2HB PRO 19 2HB PRO 19 11.378 18.885 1.113 123 1HG PRO 19 1HG PRO 19 11.035 21.466 1.818 124 2HG PRO 19 2HG PRO 19 11.526 21.004 0.174 125 1HD PRO 19 1HD PRO 19 8.810 21.776 1.190 126 2HD PRO 19 2HD PRO 19 9.605 22.219 -0.327 127 H GLY 20 H GLY 20 8.998 16.526 0.728 128 1HA GLY 20 1HA GLY 20 6.365 16.863 1.959 129 2HA GLY 20 2HA GLY 20 7.055 15.350 1.379 130 H GLY 21 H GLY 21 8.283 14.106 2.716 131 1HA GLY 21 1HA GLY 21 9.607 14.370 4.972 132 2HA GLY 21 2HA GLY 21 7.985 14.669 5.570 133 H ALA 22 H ALA 22 10.010 12.371 5.890 134 HA ALA 22 HA ALA 22 8.556 10.167 4.655 135 1HB ALA 22 1HB ALA 22 10.976 10.123 4.553 136 2HB ALA 22 2HB ALA 22 10.364 8.764 5.493 137 3HB ALA 22 3HB ALA 22 11.072 10.155 6.312 138 H ARG 23 H ARG 23 6.662 9.912 5.754 139 HA ARG 23 HA ARG 23 6.709 9.333 8.595 140 1HB ARG 23 1HB ARG 23 4.295 8.905 8.386 141 2HB ARG 23 2HB ARG 23 4.744 10.474 7.733 142 1HG ARG 23 1HG ARG 23 4.668 9.513 5.453 143 2HG ARG 23 2HG ARG 23 4.086 8.000 6.152 144 1HD ARG 23 1HD ARG 23 2.108 9.129 7.026 145 2HD ARG 23 2HD ARG 23 2.729 10.680 6.455 146 HE ARG 23 HE ARG 23 1.543 8.549 4.856 147 1HH1 ARG 23 1HH1 ARG 23 3.184 11.633 4.898 148 2HH1 ARG 23 2HH1 ARG 23 2.553 12.138 3.363 149 1HH2 ARG 23 1HH2 ARG 23 0.683 9.233 2.815 150 2HH2 ARG 23 2HH2 ARG 23 1.154 10.785 2.183 151 H ALA 24 H ALA 24 6.252 7.333 9.529 152 HA ALA 24 HA ALA 24 6.917 5.042 7.794 153 1HB ALA 24 1HB ALA 24 7.861 3.979 9.756 154 2HB ALA 24 2HB ALA 24 7.357 5.327 10.772 155 3HB ALA 24 3HB ALA 24 8.590 5.564 9.540 156 H VAL 25 H VAL 25 5.536 3.425 7.641 157 HA VAL 25 HA VAL 25 3.255 3.264 9.529 158 HB VAL 25 HB VAL 25 1.868 2.418 7.668 159 1HG1 VAL 25 1HG1 VAL 25 3.109 5.135 7.097 160 2HG1 VAL 25 2HG1 VAL 25 1.775 4.800 8.204 161 3HG1 VAL 25 3HG1 VAL 25 1.549 4.550 6.482 162 1HG2 VAL 25 1HG2 VAL 25 4.302 3.032 5.991 163 2HG2 VAL 25 2HG2 VAL 25 2.703 2.710 5.328 164 3HG2 VAL 25 3HG2 VAL 25 3.551 1.452 6.245 165 H SER 26 H SER 26 2.693 1.211 10.196 166 HA SER 26 HA SER 26 4.758 -0.797 9.671 167 1HB SER 26 1HB SER 26 4.000 -1.790 11.840 168 2HB SER 26 2HB SER 26 4.684 -0.175 11.983 169 HG SER 26 HG SER 26 2.662 0.665 12.217 170 H ILE 27 H ILE 27 4.210 -3.006 9.666 171 HA ILE 27 HA ILE 27 1.526 -3.670 8.660 172 HB ILE 27 HB ILE 27 4.183 -4.389 7.393 173 1HG1 ILE 27 1HG1 ILE 27 2.840 -3.850 5.283 174 2HG1 ILE 27 2HG1 ILE 27 1.584 -3.237 6.350 175 1HG2 ILE 27 1HG2 ILE 27 1.574 -5.845 6.975 176 2HG2 ILE 27 2HG2 ILE 27 3.037 -6.498 7.728 177 3HG2 ILE 27 3HG2 ILE 27 3.040 -6.057 6.022 178 1HD1 ILE 27 1HD1 ILE 27 2.998 -1.456 5.442 179 2HD1 ILE 27 2HD1 ILE 27 4.403 -2.213 6.194 180 3HD1 ILE 27 3HD1 ILE 27 3.114 -1.562 7.199 181 H VAL 28 H VAL 28 0.707 -5.488 9.617 182 HA VAL 28 HA VAL 28 2.521 -6.903 11.478 183 HB VAL 28 HB VAL 28 0.417 -7.647 12.660 184 1HG1 VAL 28 1HG1 VAL 28 1.718 -5.786 13.512 185 2HG1 VAL 28 2HG1 VAL 28 -0.003 -5.467 13.762 186 3HG1 VAL 28 3HG1 VAL 28 0.882 -4.650 12.456 187 1HG2 VAL 28 1HG2 VAL 28 -1.189 -7.354 10.814 188 2HG2 VAL 28 2HG2 VAL 28 -0.941 -5.603 10.874 189 3HG2 VAL 28 3HG2 VAL 28 -1.683 -6.440 12.237 190 H GLY 29 H GLY 29 3.348 -8.514 10.292 191 1HA GLY 29 1HA GLY 29 3.380 -10.625 9.295 192 2HA GLY 29 2HA GLY 29 1.624 -10.660 9.379 193 H ASN 30 H ASN 30 0.460 -9.247 7.853 194 HA ASN 30 HA ASN 30 1.857 -8.091 5.620 195 1HB ASN 30 1HB ASN 30 0.897 -9.424 3.876 196 2HB ASN 30 2HB ASN 30 1.679 -10.529 4.997 197 1HD2 ASN 30 2HD2 ASN 30 -0.437 -10.959 3.054 198 2HD2 ASN 30 1HD2 ASN 30 -1.783 -11.619 3.920 199 H GLN 31 H GLN 31 -0.071 -7.462 7.812 200 HA GLN 31 HA GLN 31 -2.407 -6.604 6.238 201 1HB GLN 31 1HB GLN 31 -2.698 -8.141 8.233 202 2HB GLN 31 2HB GLN 31 -2.214 -6.806 9.248 203 1HG GLN 31 1HG GLN 31 -4.549 -6.646 7.379 204 2HG GLN 31 2HG GLN 31 -4.695 -7.267 9.010 205 1HE2 GLN 31 2HE2 GLN 31 -5.981 -4.982 7.823 206 2HE2 GLN 31 1HE2 GLN 31 -5.511 -3.601 8.765 207 H ILE 32 H ILE 32 -3.217 -4.483 6.533 208 HA ILE 32 HA ILE 32 -1.767 -2.506 8.021 209 HB ILE 32 HB ILE 32 -0.308 -2.768 5.994 210 1HG1 ILE 32 1HG1 ILE 32 -1.704 -0.077 6.222 211 2HG1 ILE 32 2HG1 ILE 32 -0.402 -0.630 7.252 212 1HG2 ILE 32 1HG2 ILE 32 -2.715 -1.727 4.501 213 2HG2 ILE 32 2HG2 ILE 32 -2.020 -3.334 4.350 214 3HG2 ILE 32 3HG2 ILE 32 -1.093 -1.919 3.818 215 1HD1 ILE 32 1HD1 ILE 32 1.080 -0.689 5.274 216 2HD1 ILE 32 2HD1 ILE 32 0.414 0.913 5.605 217 3HD1 ILE 32 3HD1 ILE 32 -0.249 -0.051 4.300 218 H ASP 33 H ASP 33 -2.822 -0.331 7.784 219 HA ASP 33 HA ASP 33 -5.639 -0.627 6.940 220 1HB ASP 33 1HB ASP 33 -5.053 -0.256 9.443 221 2HB ASP 33 2HB ASP 33 -4.657 1.392 8.951 222 H SER 34 H SER 34 -6.607 1.061 5.820 223 HA SER 34 HA SER 34 -4.940 2.440 3.966 224 1HB SER 34 1HB SER 34 -7.871 2.980 4.567 225 2HB SER 34 2HB SER 34 -6.990 3.370 3.083 226 HG SER 34 HG SER 34 -7.263 0.712 4.042 227 H ARG 35 H ARG 35 -6.119 3.180 7.077 228 HA ARG 35 HA ARG 35 -6.207 6.023 6.899 229 1HB ARG 35 1HB ARG 35 -7.407 5.028 8.656 230 2HB ARG 35 2HB ARG 35 -6.031 4.066 9.168 231 1HG ARG 35 1HG ARG 35 -6.519 5.834 10.754 232 2HG ARG 35 2HG ARG 35 -4.930 6.041 10.024 233 1HD ARG 35 1HD ARG 35 -5.905 7.726 8.476 234 2HD ARG 35 2HD ARG 35 -7.452 7.548 9.311 235 HE ARG 35 HE ARG 35 -6.673 8.966 10.890 236 1HH1 ARG 35 1HH1 ARG 35 -3.888 7.387 9.471 237 2HH1 ARG 35 2HH1 ARG 35 -2.749 8.244 10.448 238 1HH2 ARG 35 1HH2 ARG 35 -5.178 10.108 12.167 239 2HH2 ARG 35 2HH2 ARG 35 -3.485 9.808 11.992 240 H GLU 36 H GLU 36 -3.703 3.705 7.801 241 HA GLU 36 HA GLU 36 -1.811 5.506 8.789 242 1HB GLU 36 1HB GLU 36 -1.279 2.884 7.361 243 2HB GLU 36 2HB GLU 36 -0.196 3.705 8.469 244 1HG GLU 36 1HG GLU 36 -2.863 2.484 9.123 245 2HG GLU 36 2HG GLU 36 -1.284 1.854 9.577 246 H LEU 37 H LEU 37 -2.284 4.234 5.515 247 HA LEU 37 HA LEU 37 -0.023 5.577 4.403 248 1HB LEU 37 1HB LEU 37 -2.422 4.339 3.053 249 2HB LEU 37 2HB LEU 37 -1.009 4.912 2.210 250 HG LEU 37 HG LEU 37 -1.013 2.673 4.264 251 1HD1 LEU 37 1HD1 LEU 37 -0.842 2.519 1.250 252 2HD1 LEU 37 2HD1 LEU 37 -2.228 2.053 2.221 253 3HD1 LEU 37 3HD1 LEU 37 -0.708 1.167 2.368 254 1HD2 LEU 37 1HD2 LEU 37 1.122 3.831 4.165 255 2HD2 LEU 37 2HD2 LEU 37 1.165 3.647 2.407 256 3HD2 LEU 37 3HD2 LEU 37 1.258 2.229 3.443 257 H PHE 38 H PHE 38 -3.504 6.177 4.302 258 HA PHE 38 HA PHE 38 -3.064 8.629 2.754 259 1HB PHE 38 1HB PHE 38 -5.628 7.157 3.448 260 2HB PHE 38 2HB PHE 38 -5.512 8.535 2.370 261 HD1 PHE 38 HD2 PHE 38 -4.290 8.325 0.233 262 HD2 PHE 38 HD1 PHE 38 -5.107 4.968 2.694 263 HE1 PHE 38 HE2 PHE 38 -3.858 6.834 -1.685 264 HE2 PHE 38 HE1 PHE 38 -4.706 3.460 0.779 265 HZ PHE 38 HZ PHE 38 -4.075 4.403 -1.414 266 H THR 39 H THR 39 -2.410 8.480 5.616 267 HA THR 39 HA THR 39 -4.413 9.823 7.125 268 HB THR 39 HB THR 39 -2.747 8.613 8.348 269 HG1 THR 39 HG1 THR 39 -3.424 10.871 9.079 270 1HG2 THR 39 1HG2 THR 39 -0.352 9.254 8.333 271 2HG2 THR 39 2HG2 THR 39 -0.696 10.376 7.015 272 3HG2 THR 39 3HG2 THR 39 -0.906 8.651 6.783 273 H VAL 40 H VAL 40 -1.610 10.997 5.279 274 HA VAL 40 HA VAL 40 -2.367 13.752 5.938 275 HB VAL 40 HB VAL 40 0.136 12.778 4.547 276 1HG1 VAL 40 1HG1 VAL 40 1.002 15.046 4.964 277 2HG1 VAL 40 2HG1 VAL 40 -0.565 15.504 5.623 278 3HG1 VAL 40 3HG1 VAL 40 -0.428 15.071 3.928 279 1HG2 VAL 40 1HG2 VAL 40 0.081 12.004 6.857 280 2HG2 VAL 40 2HG2 VAL 40 -0.276 13.639 7.404 281 3HG2 VAL 40 3HG2 VAL 40 1.291 13.277 6.671 282 H ASP 41 H ASP 41 -1.086 12.128 3.035 283 HA ASP 41 HA ASP 41 -2.743 13.798 1.310 284 1HB ASP 41 1HB ASP 41 -1.007 11.455 0.449 285 2HB ASP 41 2HB ASP 41 -1.492 12.852 -0.501 286 H ARG 42 H ARG 42 -3.734 12.283 -0.653 287 HA ARG 42 HA ARG 42 -5.225 10.092 0.650 288 1HB ARG 42 1HB ARG 42 -6.527 12.285 0.441 289 2HB ARG 42 2HB ARG 42 -6.478 12.023 -1.299 290 1HG ARG 42 1HG ARG 42 -7.663 9.892 -1.010 291 2HG ARG 42 2HG ARG 42 -7.742 10.173 0.741 292 1HD ARG 42 1HD ARG 42 -9.844 10.804 -0.281 293 2HD ARG 42 2HD ARG 42 -9.012 12.248 0.315 294 HE ARG 42 HE ARG 42 -8.435 11.720 -2.445 295 1HH1 ARG 42 1HH1 ARG 42 -10.803 13.140 -0.290 296 2HH1 ARG 42 2HH1 ARG 42 -11.439 14.210 -1.499 297 1HH2 ARG 42 1HH2 ARG 42 -9.299 13.089 -4.043 298 2HH2 ARG 42 2HH2 ARG 42 -10.585 14.176 -3.626 299 H GLU 43 H GLU 43 -2.946 10.626 -1.348 300 HA GLU 43 HA GLU 43 -3.628 8.395 -3.079 301 1HB GLU 43 1HB GLU 43 -4.167 10.465 -4.358 302 2HB GLU 43 2HB GLU 43 -2.492 10.957 -4.201 303 1HG GLU 43 1HG GLU 43 -1.770 8.936 -5.411 304 2HG GLU 43 2HG GLU 43 -3.460 8.478 -5.614 305 H ILE 44 H ILE 44 -1.893 7.079 -3.400 306 HA ILE 44 HA ILE 44 0.698 7.930 -2.314 307 HB ILE 44 HB ILE 44 -0.541 5.173 -2.108 308 1HG1 ILE 44 1HG1 ILE 44 -1.568 6.775 -0.523 309 2HG1 ILE 44 2HG1 ILE 44 -0.602 5.566 0.329 310 1HG2 ILE 44 1HG2 ILE 44 1.441 4.636 -0.716 311 2HG2 ILE 44 2HG2 ILE 44 2.122 6.204 -1.126 312 3HG2 ILE 44 3HG2 ILE 44 1.840 4.999 -2.389 313 1HD1 ILE 44 1HD1 ILE 44 0.224 8.395 -0.297 314 2HD1 ILE 44 2HD1 ILE 44 1.198 7.200 0.563 315 3HD1 ILE 44 3HD1 ILE 44 -0.305 7.788 1.272 316 H VAL 45 H VAL 45 2.479 7.349 -3.479 317 HA VAL 45 HA VAL 45 2.000 6.204 -6.141 318 HB VAL 45 HB VAL 45 4.381 7.777 -5.130 319 1HG1 VAL 45 1HG1 VAL 45 5.139 7.845 -7.448 320 2HG1 VAL 45 2HG1 VAL 45 3.754 6.848 -7.934 321 3HG1 VAL 45 3HG1 VAL 45 4.995 6.160 -6.884 322 1HG2 VAL 45 1HG2 VAL 45 2.384 9.160 -5.315 323 2HG2 VAL 45 2HG2 VAL 45 2.121 8.588 -6.962 324 3HG2 VAL 45 3HG2 VAL 45 3.531 9.580 -6.590 325 H ILE 46 H ILE 46 3.123 4.453 -6.815 326 HA ILE 46 HA ILE 46 4.649 2.946 -4.799 327 HB ILE 46 HB ILE 46 2.452 1.770 -6.529 328 1HG1 ILE 46 1HG1 ILE 46 2.553 2.159 -3.520 329 2HG1 ILE 46 2HG1 ILE 46 1.565 3.095 -4.635 330 1HG2 ILE 46 1HG2 ILE 46 2.887 -0.316 -5.293 331 2HG2 ILE 46 2HG2 ILE 46 4.240 0.455 -4.472 332 3HG2 ILE 46 3HG2 ILE 46 4.289 0.215 -6.217 333 1HD1 ILE 46 1HD1 ILE 46 1.310 0.144 -4.051 334 2HD1 ILE 46 2HD1 ILE 46 0.331 1.039 -5.231 335 3HD1 ILE 46 3HD1 ILE 46 0.223 1.426 -3.510 336 H ALA 47 H ALA 47 6.634 2.788 -5.713 337 HA ALA 47 HA ALA 47 6.923 2.585 -8.583 338 1HB ALA 47 1HB ALA 47 9.343 2.607 -8.062 339 2HB ALA 47 2HB ALA 47 8.963 2.584 -6.335 340 3HB ALA 47 3HB ALA 47 8.496 3.970 -7.340 341 H HIS 48 H HIS 48 7.344 0.735 -9.700 342 HA HIS 48 HA HIS 48 8.334 -1.631 -8.283 343 1HB HIS 48 1HB HIS 48 5.946 -1.965 -8.202 344 2HB HIS 48 2HB HIS 48 5.770 -1.546 -9.901 345 HD1 HIS 48 HD1 HIS 48 7.246 -4.268 -7.722 346 HD2 HIS 48 HD2 HIS 48 5.951 -3.645 -11.621 347 HE1 HIS 48 HE1 HIS 48 7.255 -6.551 -8.817 348 HE2 HIS 48 HE2 HIS 48 6.645 -6.110 -11.230 349 H GLY 49 H GLY 49 10.284 -1.479 -9.422 350 1HA GLY 49 1HA GLY 49 11.626 -2.317 -11.113 351 2HA GLY 49 2HA GLY 49 10.193 -2.653 -12.071 352 H ASP 50 H ASP 50 9.326 -1.058 -13.353 353 HA ASP 50 HA ASP 50 10.864 1.444 -13.623 354 1HB ASP 50 1HB ASP 50 11.554 -0.053 -15.431 355 2HB ASP 50 2HB ASP 50 9.865 -0.297 -15.887 356 H ASP 51 H ASP 51 7.822 -0.236 -13.724 357 HA ASP 51 HA ASP 51 6.340 1.989 -14.809 358 1HB ASP 51 1HB ASP 51 5.736 -0.507 -14.987 359 2HB ASP 51 2HB ASP 51 5.140 -0.354 -13.334 360 H ARG 52 H ARG 52 4.757 3.190 -13.657 361 HA ARG 52 HA ARG 52 5.368 3.532 -10.783 362 1HB ARG 52 1HB ARG 52 4.423 5.696 -12.669 363 2HB ARG 52 2HB ARG 52 4.893 5.909 -11.003 364 1HG ARG 52 1HG ARG 52 6.775 5.069 -13.217 365 2HG ARG 52 2HG ARG 52 6.539 6.722 -12.643 366 1HD ARG 52 1HD ARG 52 8.439 6.071 -11.481 367 2HD ARG 52 2HD ARG 52 7.162 5.719 -10.306 368 HE ARG 52 HE ARG 52 7.472 3.407 -11.704 369 1HH1 ARG 52 1HH1 ARG 52 9.578 5.483 -9.870 370 2HH1 ARG 52 2HH1 ARG 52 10.683 4.202 -9.446 371 1HH2 ARG 52 1HH2 ARG 52 8.884 1.694 -11.138 372 2HH2 ARG 52 2HH2 ARG 52 10.281 2.041 -10.153 373 H TYR 53 H TYR 53 3.703 3.000 -9.522 374 HA TYR 53 HA TYR 53 0.992 3.032 -10.701 375 1HB TYR 53 1HB TYR 53 2.075 1.443 -8.347 376 2HB TYR 53 2HB TYR 53 0.415 1.390 -8.958 377 HD1 TYR 53 HD2 TYR 53 3.897 0.432 -9.624 378 HD2 TYR 53 HD1 TYR 53 -0.122 0.239 -11.033 379 HE1 TYR 53 HE2 TYR 53 4.538 -1.323 -11.219 380 HE2 TYR 53 HE1 TYR 53 0.508 -1.499 -12.642 381 HH TYR 53 HH TYR 53 2.602 -2.256 -13.816 382 H ARG 54 H ARG 54 -0.776 3.630 -9.300 383 HA ARG 54 HA ARG 54 -0.021 5.415 -7.089 384 1HB ARG 54 1HB ARG 54 -2.027 6.068 -9.279 385 2HB ARG 54 2HB ARG 54 -1.734 7.050 -7.858 386 1HG ARG 54 1HG ARG 54 0.513 7.539 -8.603 387 2HG ARG 54 2HG ARG 54 0.340 6.443 -9.975 388 1HD ARG 54 1HD ARG 54 -1.479 7.847 -10.857 389 2HD ARG 54 2HD ARG 54 -1.262 8.963 -9.514 390 HE ARG 54 HE ARG 54 1.162 9.010 -10.525 391 1HH1 ARG 54 1HH1 ARG 54 -1.869 9.072 -12.284 392 2HH1 ARG 54 2HH1 ARG 54 -1.240 10.053 -13.580 393 1HH2 ARG 54 1HH2 ARG 54 1.976 10.305 -12.232 394 2HH2 ARG 54 2HH2 ARG 54 0.913 10.725 -13.550 395 H LEU 55 H LEU 55 -0.884 4.456 -5.378 396 HA LEU 55 HA LEU 55 -3.502 3.169 -5.493 397 1HB LEU 55 1HB LEU 55 -1.640 2.165 -4.172 398 2HB LEU 55 2HB LEU 55 -1.653 3.581 -3.131 399 HG LEU 55 HG LEU 55 -4.018 3.005 -2.500 400 1HD1 LEU 55 1HD1 LEU 55 -4.647 1.698 -4.438 401 2HD1 LEU 55 2HD1 LEU 55 -4.820 0.720 -2.983 402 3HD1 LEU 55 3HD1 LEU 55 -3.441 0.471 -4.053 403 1HD2 LEU 55 1HD2 LEU 55 -3.413 1.152 -1.003 404 2HD2 LEU 55 2HD2 LEU 55 -2.171 2.411 -1.018 405 3HD2 LEU 55 3HD2 LEU 55 -1.919 0.911 -1.926 406 H ARG 56 H ARG 56 -5.240 4.416 -5.318 407 HA ARG 56 HA ARG 56 -5.001 7.005 -3.926 408 1HB ARG 56 1HB ARG 56 -5.200 7.463 -6.262 409 2HB ARG 56 2HB ARG 56 -6.511 6.313 -6.444 410 1HG ARG 56 1HG ARG 56 -8.039 7.710 -5.347 411 2HG ARG 56 2HG ARG 56 -6.761 8.739 -4.687 412 1HD ARG 56 1HD ARG 56 -7.983 9.817 -6.526 413 2HD ARG 56 2HD ARG 56 -6.271 9.591 -6.890 414 HE ARG 56 HE ARG 56 -8.369 7.795 -7.938 415 1HH1 ARG 56 1HH1 ARG 56 -5.455 9.703 -8.343 416 2HH1 ARG 56 2HH1 ARG 56 -5.326 9.368 -10.041 417 1HH2 ARG 56 1HH2 ARG 56 -8.205 7.352 -10.187 418 2HH2 ARG 56 2HH2 ARG 56 -6.890 8.055 -11.085 419 H LEU 57 H LEU 57 -6.664 7.646 -2.623 420 HA LEU 57 HA LEU 57 -8.812 5.703 -2.141 421 1HB LEU 57 1HB LEU 57 -6.983 6.294 -0.313 422 2HB LEU 57 2HB LEU 57 -7.989 7.711 -0.067 423 HG LEU 57 HG LEU 57 -8.991 4.873 0.156 424 1HD1 LEU 57 1HD1 LEU 57 -7.315 5.276 1.864 425 2HD1 LEU 57 2HD1 LEU 57 -8.910 5.182 2.587 426 3HD1 LEU 57 3HD1 LEU 57 -8.141 6.747 2.363 427 1HD2 LEU 57 1HD2 LEU 57 -10.217 7.515 0.977 428 2HD2 LEU 57 2HD2 LEU 57 -10.860 5.941 1.397 429 3HD2 LEU 57 3HD2 LEU 57 -10.798 6.424 -0.294 430 H THR 58 H THR 58 -10.876 6.473 -2.091 431 HA THR 58 HA THR 58 -11.428 8.986 -3.382 432 HB THR 58 HB THR 58 -13.826 8.367 -2.972 433 HG1 THR 58 HG1 THR 58 -12.538 6.478 -1.358 434 1HG2 THR 58 1HG2 THR 58 -12.672 7.516 -4.975 435 2HG2 THR 58 2HG2 THR 58 -13.862 6.349 -4.375 436 3HG2 THR 58 3HG2 THR 58 -12.143 6.096 -4.058 437 H SER 59 H SER 59 -13.400 10.259 -2.191 438 HA SER 59 HA SER 59 -12.371 11.736 -0.144 439 1HB SER 59 1HB SER 59 -15.307 11.128 -0.519 440 2HB SER 59 2HB SER 59 -14.600 12.587 0.197 441 HG SER 59 HG SER 59 -15.227 12.207 -2.313 442 H GLN 60 H GLN 60 -14.169 8.719 0.031 443 HA GLN 60 HA GLN 60 -13.120 7.963 2.536 444 1HB GLN 60 1HB GLN 60 -14.636 9.733 3.387 445 2HB GLN 60 2HB GLN 60 -16.011 8.898 2.646 446 1HG GLN 60 1HG GLN 60 -15.668 6.991 4.121 447 2HG GLN 60 2HG GLN 60 -14.248 7.759 4.805 448 1HE2 GLN 60 2HE2 GLN 60 -14.489 9.496 6.214 449 2HE2 GLN 60 1HE2 GLN 60 -16.011 9.888 6.947 450 H ASN 61 H ASN 61 -15.266 7.578 -0.071 451 HA ASN 61 HA ASN 61 -16.823 5.375 0.515 452 1HB ASN 61 1HB ASN 61 -15.497 5.876 -2.167 453 2HB ASN 61 2HB ASN 61 -16.974 4.962 -1.880 454 1HD2 ASN 61 2HD2 ASN 61 -18.243 6.210 -3.184 455 2HD2 ASN 61 1HD2 ASN 61 -18.648 7.858 -2.836 456 H LYS 62 H LYS 62 -13.848 5.069 -1.440 457 HA LYS 62 HA LYS 62 -12.904 2.791 0.018 458 1HB LYS 62 1HB LYS 62 -12.954 1.270 -2.030 459 2HB LYS 62 2HB LYS 62 -14.489 1.548 -1.217 460 1HG LYS 62 1HG LYS 62 -14.953 1.617 -3.510 461 2HG LYS 62 2HG LYS 62 -14.984 3.296 -2.975 462 1HD LYS 62 1HD LYS 62 -12.803 3.690 -3.937 463 2HD LYS 62 2HD LYS 62 -12.600 1.972 -4.279 464 1HE LYS 62 1HE LYS 62 -13.182 3.111 -6.323 465 2HE LYS 62 2HE LYS 62 -14.514 2.073 -5.822 466 1HZ LYS 62 1HZ LYS 62 -14.340 5.020 -5.494 467 2HZ LYS 62 2HZ LYS 62 -15.618 4.074 -4.910 468 3HZ LYS 62 3HZ LYS 62 -15.337 4.186 -6.570 469 H LEU 63 H LEU 63 -11.222 1.717 -1.963 470 HA LEU 63 HA LEU 63 -9.669 3.995 -2.942 471 1HB LEU 63 1HB LEU 63 -7.567 3.068 -2.149 472 2HB LEU 63 2HB LEU 63 -8.638 3.376 -0.788 473 HG LEU 63 HG LEU 63 -8.245 0.623 -1.996 474 1HD1 LEU 63 1HD1 LEU 63 -6.091 1.480 -1.219 475 2HD1 LEU 63 2HD1 LEU 63 -6.679 0.175 -0.184 476 3HD1 LEU 63 3HD1 LEU 63 -6.813 1.848 0.355 477 1HD2 LEU 63 1HD2 LEU 63 -10.295 0.912 -0.646 478 2HD2 LEU 63 2HD2 LEU 63 -9.313 1.516 0.698 479 3HD2 LEU 63 3HD2 LEU 63 -9.120 -0.143 0.150 480 H ILE 64 H ILE 64 -7.950 3.228 -4.499 481 HA ILE 64 HA ILE 64 -8.597 0.769 -5.936 482 HB ILE 64 HB ILE 64 -8.910 2.056 -8.108 483 1HG1 ILE 64 1HG1 ILE 64 -10.021 4.383 -7.731 484 2HG1 ILE 64 2HG1 ILE 64 -9.206 4.375 -6.178 485 1HG2 ILE 64 1HG2 ILE 64 -11.313 2.404 -7.775 486 2HG2 ILE 64 2HG2 ILE 64 -11.057 2.291 -6.033 487 3HG2 ILE 64 3HG2 ILE 64 -10.746 0.894 -7.062 488 1HD1 ILE 64 1HD1 ILE 64 -7.811 4.165 -8.837 489 2HD1 ILE 64 2HD1 ILE 64 -7.057 4.271 -7.256 490 3HD1 ILE 64 3HD1 ILE 64 -7.984 5.631 -7.868 491 H LEU 65 H LEU 65 -7.212 0.631 -7.967 492 HA LEU 65 HA LEU 65 -4.559 1.844 -7.449 493 1HB LEU 65 1HB LEU 65 -4.612 -0.646 -7.268 494 2HB LEU 65 2HB LEU 65 -5.238 -0.725 -8.902 495 HG LEU 65 HG LEU 65 -3.140 0.261 -9.759 496 1HD1 LEU 65 1HD1 LEU 65 -2.486 1.544 -7.781 497 2HD1 LEU 65 2HD1 LEU 65 -1.182 0.471 -8.295 498 3HD1 LEU 65 3HD1 LEU 65 -2.188 0.042 -6.897 499 1HD2 LEU 65 1HD2 LEU 65 -3.393 -2.172 -9.676 500 2HD2 LEU 65 2HD2 LEU 65 -2.693 -2.186 -8.063 501 3HD2 LEU 65 3HD2 LEU 65 -1.708 -1.678 -9.441 502 H THR 66 H THR 66 -3.435 2.649 -9.351 503 HA THR 66 HA THR 66 -4.789 2.971 -11.785 504 HB THR 66 HB THR 66 -6.310 4.360 -10.386 505 HG1 THR 66 HG1 THR 66 -5.790 6.379 -11.776 506 1HG2 THR 66 1HG2 THR 66 -3.899 6.162 -10.036 507 2HG2 THR 66 2HG2 THR 66 -4.636 5.195 -8.752 508 3HG2 THR 66 3HG2 THR 66 -5.547 6.508 -9.513 509 H LYS 67 H LYS 67 -3.757 4.718 -13.100 510 HA LYS 67 HA LYS 67 -1.578 6.191 -12.027 511 1HB LYS 67 1HB LYS 67 0.058 5.454 -13.821 512 2HB LYS 67 2HB LYS 67 -0.191 4.346 -12.486 513 1HG LYS 67 1HG LYS 67 -1.605 2.951 -13.866 514 2HG LYS 67 2HG LYS 67 -1.487 4.098 -15.199 515 1HD LYS 67 1HD LYS 67 0.941 3.732 -15.286 516 2HD LYS 67 2HD LYS 67 0.811 2.546 -13.989 517 1HE LYS 67 1HE LYS 67 -0.546 1.112 -15.376 518 2HE LYS 67 2HE LYS 67 -0.564 2.318 -16.672 519 1HZ LYS 67 1HZ LYS 67 1.811 2.059 -16.909 520 2HZ LYS 67 2HZ LYS 67 1.039 0.560 -17.086 521 3HZ LYS 67 3HZ LYS 67 1.847 0.941 -15.653 522 1H MET 1 1H MET 1 -4.542 -69.874 9.358 523 2H MET 1 2H MET 1 -5.062 -68.985 8.016 524 3H MET 1 3H MET 1 -5.273 -68.362 9.573 525 HA MET 1 HA MET 1 -2.908 -68.246 9.873 526 1HB MET 1 1HB MET 1 -2.825 -69.033 6.955 527 2HB MET 1 2HB MET 1 -1.430 -68.594 7.932 528 1HG MET 1 1HG MET 1 -1.816 -70.553 9.358 529 2HG MET 1 2HG MET 1 -3.208 -71.003 8.356 530 1HE MET 1 1HE MET 1 -2.231 -73.360 8.119 531 2HE MET 1 2HE MET 1 -0.753 -72.999 9.003 532 3HE MET 1 3HE MET 1 -0.672 -73.760 7.407 533 H MET 2 H MET 2 -3.465 -66.157 10.265 534 HA MET 2 HA MET 2 -2.966 -64.233 8.244 535 1HB MET 2 1HB MET 2 -5.161 -63.158 8.117 536 2HB MET 2 2HB MET 2 -5.290 -64.831 7.607 537 1HG MET 2 1HG MET 2 -6.201 -65.457 9.787 538 2HG MET 2 2HG MET 2 -6.050 -63.788 10.334 539 1HE MET 2 1HE MET 2 -8.735 -65.263 10.660 540 2HE MET 2 2HE MET 2 -9.930 -64.157 9.995 541 3HE MET 2 3HE MET 2 -8.623 -63.532 10.989 542 H THR 3 H THR 3 -2.182 -65.023 10.977 543 HA THR 3 HA THR 3 -3.362 -63.424 12.952 544 HB THR 3 HB THR 3 -0.541 -64.545 12.961 545 HG1 THR 3 HG1 THR 3 -1.903 -66.266 14.180 546 1HG2 THR 3 1HG2 THR 3 -1.054 -62.982 14.800 547 2HG2 THR 3 2HG2 THR 3 -0.851 -64.625 15.393 548 3HG2 THR 3 3HG2 THR 3 -2.467 -63.943 15.222 549 H ALA 4 H ALA 4 -3.481 -61.303 12.359 550 HA ALA 4 HA ALA 4 -1.238 -59.672 12.904 551 1HB ALA 4 1HB ALA 4 -0.658 -60.302 10.601 552 2HB ALA 4 2HB ALA 4 -0.993 -58.577 10.745 553 3HB ALA 4 3HB ALA 4 -2.199 -59.671 10.042 554 H SER 5 H SER 5 -2.974 -59.085 14.422 555 HA SER 5 HA SER 5 -4.985 -57.309 13.213 556 1HB SER 5 1HB SER 5 -5.824 -59.235 14.644 557 2HB SER 5 2HB SER 5 -5.030 -58.473 16.014 558 HG SER 5 HG SER 5 -6.845 -56.996 14.436 559 H ASP 6 H ASP 6 -3.684 -55.535 13.004 560 HA ASP 6 HA ASP 6 -3.223 -54.012 15.423 561 1HB ASP 6 1HB ASP 6 -1.060 -55.148 15.151 562 2HB ASP 6 2HB ASP 6 -0.974 -54.637 13.464 563 H ARG 7 H ARG 7 -4.239 -52.147 15.006 564 HA ARG 7 HA ARG 7 -3.867 -50.776 12.477 565 1HB ARG 7 1HB ARG 7 -5.764 -52.407 12.165 566 2HB ARG 7 2HB ARG 7 -6.642 -51.540 13.413 567 1HG ARG 7 1HG ARG 7 -6.563 -49.510 12.011 568 2HG ARG 7 2HG ARG 7 -5.727 -50.425 10.763 569 1HD ARG 7 1HD ARG 7 -7.670 -52.015 10.746 570 2HD ARG 7 2HD ARG 7 -8.515 -50.894 11.800 571 HE ARG 7 HE ARG 7 -7.514 -49.749 9.327 572 1HH1 ARG 7 1HH1 ARG 7 -10.220 -51.260 10.980 573 2HH1 ARG 7 2HH1 ARG 7 -11.390 -50.657 9.855 574 1HH2 ARG 7 1HH2 ARG 7 -9.085 -48.977 7.868 575 2HH2 ARG 7 2HH2 ARG 7 -10.752 -49.387 8.104 576 H LEU 8 H LEU 8 -3.477 -48.751 13.044 577 HA LEU 8 HA LEU 8 -5.332 -47.237 14.607 578 1HB LEU 8 1HB LEU 8 -3.893 -46.530 16.379 579 2HB LEU 8 2HB LEU 8 -3.955 -48.279 16.414 580 HG LEU 8 HG LEU 8 -1.661 -46.802 15.118 581 1HD1 LEU 8 1HD1 LEU 8 -0.401 -47.068 17.209 582 2HD1 LEU 8 2HD1 LEU 8 -1.866 -47.678 17.986 583 3HD1 LEU 8 3HD1 LEU 8 -1.812 -46.018 17.411 584 1HD2 LEU 8 1HD2 LEU 8 -2.002 -49.608 16.187 585 2HD2 LEU 8 2HD2 LEU 8 -0.470 -48.938 15.643 586 3HD2 LEU 8 3HD2 LEU 8 -1.805 -49.135 14.505 587 H GLY 9 H GLY 9 -4.795 -44.959 14.602 588 1HA GLY 9 1HA GLY 9 -2.685 -44.146 12.704 589 2HA GLY 9 2HA GLY 9 -4.336 -43.579 12.465 590 H ALA 10 H ALA 10 -1.811 -43.746 14.974 591 HA ALA 10 HA ALA 10 -2.919 -41.666 16.548 592 1HB ALA 10 1HB ALA 10 -0.100 -42.770 16.547 593 2HB ALA 10 2HB ALA 10 -1.452 -43.387 17.495 594 3HB ALA 10 3HB ALA 10 -0.816 -41.763 17.807 595 H ASP 11 H ASP 11 -3.295 -39.945 15.141 596 HA ASP 11 HA ASP 11 -0.910 -38.532 14.171 597 1HB ASP 11 1HB ASP 11 -2.585 -39.140 12.455 598 2HB ASP 11 2HB ASP 11 -3.776 -38.165 13.310 599 HA PRO 12 HA PRO 12 -1.990 -35.633 17.440 600 1HB PRO 12 1HB PRO 12 0.202 -34.076 17.310 601 2HB PRO 12 2HB PRO 12 0.261 -35.732 17.949 602 1HG PRO 12 1HG PRO 12 1.021 -34.724 15.231 603 2HG PRO 12 2HG PRO 12 1.890 -35.851 16.298 604 1HD PRO 12 1HD PRO 12 0.277 -36.633 14.192 605 2HD PRO 12 2HD PRO 12 0.596 -37.657 15.617 606 H THR 13 H THR 13 -1.548 -34.937 14.082 607 HA THR 13 HA THR 13 -2.114 -33.209 12.726 608 HB THR 13 HB THR 13 -4.080 -32.368 14.883 609 HG1 THR 13 HG1 THR 13 -3.880 -34.740 13.578 610 1HG2 THR 13 1HG2 THR 13 -3.931 -30.855 12.973 611 2HG2 THR 13 2HG2 THR 13 -5.468 -31.696 12.980 612 3HG2 THR 13 3HG2 THR 13 -4.204 -32.202 11.863 613 H GLN 14 H GLN 14 0.096 -32.816 14.363 614 HA GLN 14 HA GLN 14 0.008 -30.221 15.633 615 1HB GLN 14 1HB GLN 14 1.431 -32.042 16.487 616 2HB GLN 14 2HB GLN 14 2.305 -32.091 14.953 617 1HG GLN 14 1HG GLN 14 3.208 -29.889 15.359 618 2HG GLN 14 2HG GLN 14 2.280 -29.742 16.859 619 1HE2 GLN 14 2HE2 GLN 14 2.886 -30.960 18.662 620 2HE2 GLN 14 1HE2 GLN 14 4.436 -31.712 18.786 621 H ALA 15 H ALA 15 -0.145 -28.478 14.378 622 HA ALA 15 HA ALA 15 1.888 -28.012 12.348 623 1HB ALA 15 1HB ALA 15 -0.053 -28.862 11.124 624 2HB ALA 15 2HB ALA 15 0.274 -27.168 10.727 625 3HB ALA 15 3HB ALA 15 -1.052 -27.576 11.809 626 H ALA 16 H ALA 16 -1.055 -26.488 13.639 627 HA ALA 16 HA ALA 16 -1.472 -24.452 14.553 628 1HB ALA 16 1HB ALA 16 -0.032 -25.362 16.307 629 2HB ALA 16 2HB ALA 16 0.131 -23.617 16.173 630 3HB ALA 16 3HB ALA 16 1.376 -24.674 15.510 631 H SER 17 H SER 17 -1.627 -23.647 12.357 632 HA SER 17 HA SER 17 0.562 -22.184 11.192 633 1HB SER 17 1HB SER 17 -2.379 -22.011 10.433 634 2HB SER 17 2HB SER 17 -0.985 -21.641 9.417 635 HG SER 17 HG SER 17 -0.572 -23.747 9.177 636 H SER 18 H SER 18 1.132 -20.134 11.633 637 HA SER 18 HA SER 18 -0.820 -18.181 12.510 638 1HB SER 18 1HB SER 18 -0.192 -19.359 14.606 639 2HB SER 18 2HB SER 18 1.484 -18.936 14.341 640 HG SER 18 HG SER 18 -0.376 -17.516 15.551 641 HA PRO 19 HA PRO 19 2.290 -15.972 10.077 642 1HB PRO 19 1HB PRO 19 0.775 -13.826 9.482 643 2HB PRO 19 2HB PRO 19 0.535 -15.395 8.676 644 1HG PRO 19 1HG PRO 19 -0.994 -14.200 10.968 645 2HG PRO 19 2HG PRO 19 -1.614 -15.015 9.513 646 1HD PRO 19 1HD PRO 19 -1.353 -16.294 11.914 647 2HD PRO 19 2HD PRO 19 -1.189 -17.129 10.346 648 H GLY 20 H GLY 20 3.718 -14.367 10.647 649 1HA GLY 20 1HA GLY 20 3.065 -12.440 12.741 650 2HA GLY 20 2HA GLY 20 4.342 -13.611 13.100 651 H GLY 21 H GLY 21 5.780 -11.826 13.298 652 1HA GLY 21 1HA GLY 21 7.616 -10.698 12.438 653 2HA GLY 21 2HA GLY 21 7.171 -11.248 10.833 654 H ALA 22 H ALA 22 6.689 -8.727 13.218 655 HA ALA 22 HA ALA 22 5.002 -7.192 11.398 656 1HB ALA 22 1HB ALA 22 6.041 -6.531 14.179 657 2HB ALA 22 2HB ALA 22 4.447 -7.186 13.794 658 3HB ALA 22 3HB ALA 22 4.884 -5.574 13.245 659 H ARG 23 H ARG 23 5.767 -5.540 10.182 660 HA ARG 23 HA ARG 23 8.591 -4.774 10.465 661 1HB ARG 23 1HB ARG 23 8.857 -4.923 8.002 662 2HB ARG 23 2HB ARG 23 8.597 -6.474 8.772 663 1HG ARG 23 1HG ARG 23 6.352 -6.594 8.001 664 2HG ARG 23 2HG ARG 23 6.383 -4.914 7.464 665 1HD ARG 23 1HD ARG 23 8.205 -7.032 6.323 666 2HD ARG 23 2HD ARG 23 6.604 -6.691 5.659 667 HE ARG 23 HE ARG 23 7.373 -4.606 4.904 668 1HH1 ARG 23 1HH1 ARG 23 9.927 -6.383 6.513 669 2HH1 ARG 23 2HH1 ARG 23 11.183 -5.367 5.916 670 1HH2 ARG 23 1HH2 ARG 23 9.018 -3.292 4.089 671 2HH2 ARG 23 2HH2 ARG 23 10.664 -3.585 4.559 672 H ALA 24 H ALA 24 9.143 -2.746 9.641 673 HA ALA 24 HA ALA 24 6.826 -0.937 9.296 674 1HB ALA 24 1HB ALA 24 9.585 -0.345 10.372 675 2HB ALA 24 2HB ALA 24 8.116 -0.526 11.328 676 3HB ALA 24 3HB ALA 24 8.290 0.823 10.197 677 H VAL 25 H VAL 25 6.653 0.210 7.500 678 HA VAL 25 HA VAL 25 8.929 0.369 5.646 679 HB VAL 25 HB VAL 25 7.280 0.341 3.780 680 1HG1 VAL 25 1HG1 VAL 25 6.692 -2.061 3.914 681 2HG1 VAL 25 2HG1 VAL 25 7.140 -2.054 5.622 682 3HG1 VAL 25 3HG1 VAL 25 8.361 -1.753 4.385 683 1HG2 VAL 25 1HG2 VAL 25 4.955 -0.402 4.259 684 2HG2 VAL 25 2HG2 VAL 25 5.335 1.189 4.907 685 3HG2 VAL 25 3HG2 VAL 25 5.290 -0.210 5.991 686 H SER 26 H SER 26 9.245 2.362 4.680 687 HA SER 26 HA SER 26 7.769 4.538 5.975 688 1HB SER 26 1HB SER 26 9.799 5.928 5.244 689 2HB SER 26 2HB SER 26 10.047 4.727 6.507 690 HG SER 26 HG SER 26 10.447 3.802 3.939 691 H ILE 27 H ILE 27 7.392 6.456 4.831 692 HA ILE 27 HA ILE 27 6.953 6.234 1.924 693 HB ILE 27 HB ILE 27 4.938 7.110 4.026 694 1HG1 ILE 27 1HG1 ILE 27 3.397 5.727 2.564 695 2HG1 ILE 27 2HG1 ILE 27 4.830 5.194 1.692 696 1HG2 ILE 27 1HG2 ILE 27 3.553 8.067 2.241 697 2HG2 ILE 27 2HG2 ILE 27 4.856 7.800 1.084 698 3HG2 ILE 27 3HG2 ILE 27 5.079 8.930 2.420 699 1HD1 ILE 27 1HD1 ILE 27 4.360 4.794 4.625 700 2HD1 ILE 27 2HD1 ILE 27 5.694 4.147 3.668 701 3HD1 ILE 27 3HD1 ILE 27 4.046 3.599 3.384 702 H VAL 28 H VAL 28 7.650 8.002 0.826 703 HA VAL 28 HA VAL 28 8.620 10.256 2.449 704 HB VAL 28 HB VAL 28 10.067 10.815 0.486 705 1HG1 VAL 28 1HG1 VAL 28 10.941 9.602 2.410 706 2HG1 VAL 28 2HG1 VAL 28 11.717 9.077 0.920 707 3HG1 VAL 28 3HG1 VAL 28 10.482 8.065 1.666 708 1HG2 VAL 28 1HG2 VAL 28 10.490 9.067 -1.202 709 2HG2 VAL 28 2HG2 VAL 28 8.848 9.684 -1.289 710 3HG2 VAL 28 3HG2 VAL 28 9.154 8.118 -0.544 711 H GLY 29 H GLY 29 6.940 11.604 2.595 712 1HA GLY 29 1HA GLY 29 5.520 13.286 1.874 713 2HA GLY 29 2HA GLY 29 6.008 12.974 0.216 714 H ASN 30 H ASN 30 5.172 10.983 -0.772 715 HA ASN 30 HA ASN 30 3.003 9.582 0.513 716 1HB ASN 30 1HB ASN 30 1.291 10.082 -1.136 717 2HB ASN 30 2HB ASN 30 1.841 11.587 -0.430 718 1HD2 ASN 30 2HD2 ASN 30 0.533 11.067 -2.995 719 2HD2 ASN 30 1HD2 ASN 30 1.585 11.725 -4.194 720 H GLN 31 H GLN 31 5.689 9.179 -0.783 721 HA GLN 31 HA GLN 31 4.949 7.387 -3.019 722 1HB GLN 31 1HB GLN 31 6.532 9.287 -3.513 723 2HB GLN 31 2HB GLN 31 7.653 8.619 -2.341 724 1HG GLN 31 1HG GLN 31 6.756 6.955 -4.657 725 2HG GLN 31 2HG GLN 31 8.015 8.156 -4.856 726 1HE2 GLN 31 2HE2 GLN 31 8.154 5.273 -5.150 727 2HE2 GLN 31 1HE2 GLN 31 9.352 4.734 -4.026 728 H ILE 32 H ILE 32 5.939 5.317 -3.134 729 HA ILE 32 HA ILE 32 7.396 4.209 -0.937 730 HB ILE 32 HB ILE 32 5.054 4.218 -0.019 731 1HG1 ILE 32 1HG1 ILE 32 6.155 1.457 -0.579 732 2HG1 ILE 32 2HG1 ILE 32 6.672 2.520 0.722 733 1HG2 ILE 32 1HG2 ILE 32 3.822 3.971 -2.092 734 2HG2 ILE 32 2HG2 ILE 32 3.370 2.714 -0.953 735 3HG2 ILE 32 3HG2 ILE 32 4.446 2.340 -2.299 736 1HD1 ILE 32 1HD1 ILE 32 3.946 1.287 0.415 737 2HD1 ILE 32 2HD1 ILE 32 4.434 2.389 1.704 738 3HD1 ILE 32 3HD1 ILE 32 5.211 0.818 1.547 739 H ASP 33 H ASP 33 7.894 1.878 -1.386 740 HA ASP 33 HA ASP 33 7.727 1.320 -4.291 741 1HB ASP 33 1HB ASP 33 10.035 1.803 -3.231 742 2HB ASP 33 2HB ASP 33 9.868 0.246 -2.429 743 H SER 34 H SER 34 7.262 -0.779 -4.941 744 HA SER 34 HA SER 34 5.470 -2.239 -3.289 745 1HB SER 34 1HB SER 34 5.490 -3.917 -5.151 746 2HB SER 34 2HB SER 34 5.206 -2.256 -5.691 747 HG SER 34 HG SER 34 7.732 -2.428 -5.889 748 H ARG 35 H ARG 35 8.853 -2.334 -3.625 749 HA ARG 35 HA ARG 35 9.328 -5.060 -2.945 750 1HB ARG 35 1HB ARG 35 11.061 -2.582 -2.982 751 2HB ARG 35 2HB ARG 35 11.667 -4.123 -2.363 752 1HG ARG 35 1HG ARG 35 10.648 -3.575 -5.150 753 2HG ARG 35 2HG ARG 35 12.323 -3.817 -4.669 754 1HD ARG 35 1HD ARG 35 11.674 -6.120 -3.880 755 2HD ARG 35 2HD ARG 35 10.084 -5.847 -4.598 756 HE ARG 35 HE ARG 35 12.131 -5.370 -6.508 757 1HH1 ARG 35 1HH1 ARG 35 10.400 -8.016 -4.933 758 2HH1 ARG 35 2HH1 ARG 35 10.782 -9.157 -6.183 759 1HH2 ARG 35 1HH2 ARG 35 12.602 -6.867 -8.105 760 2HH2 ARG 35 2HH2 ARG 35 12.052 -8.495 -8.002 761 H GLU 36 H GLU 36 9.079 -2.055 -1.100 762 HA GLU 36 HA GLU 36 9.945 -3.025 1.379 763 1HB GLU 36 1HB GLU 36 7.893 -0.863 0.829 764 2HB GLU 36 2HB GLU 36 8.804 -1.064 2.321 765 1HG GLU 36 1HG GLU 36 9.926 -0.368 -0.406 766 2HG GLU 36 2HG GLU 36 9.764 0.712 0.987 767 H LEU 37 H LEU 37 6.689 -2.894 -0.017 768 HA LEU 37 HA LEU 37 5.391 -3.959 2.315 769 1HB LEU 37 1HB LEU 37 4.397 -3.799 -0.550 770 2HB LEU 37 2HB LEU 37 3.411 -4.131 0.861 771 HG LEU 37 HG LEU 37 4.852 -1.533 0.307 772 1HD1 LEU 37 1HD1 LEU 37 2.597 -0.628 0.017 773 2HD1 LEU 37 2HD1 LEU 37 1.927 -2.247 0.196 774 3HD1 LEU 37 3HD1 LEU 37 2.964 -1.853 -1.178 775 1HD2 LEU 37 1HD2 LEU 37 2.975 -2.288 2.556 776 2HD2 LEU 37 2HD2 LEU 37 3.651 -0.691 2.251 777 3HD2 LEU 37 3HD2 LEU 37 4.732 -2.007 2.705 778 H PHE 38 H PHE 38 6.275 -5.310 -0.834 779 HA PHE 38 HA PHE 38 5.294 -7.961 -0.011 780 1HB PHE 38 1HB PHE 38 6.222 -6.937 -2.715 781 2HB PHE 38 2HB PHE 38 5.472 -8.504 -2.402 782 HD1 PHE 38 HD1 PHE 38 3.086 -8.608 -1.735 783 HD2 PHE 38 HD2 PHE 38 4.910 -4.958 -2.911 784 HE1 PHE 38 HE1 PHE 38 0.863 -7.598 -2.049 785 HE2 PHE 38 HE2 PHE 38 2.692 -3.950 -3.235 786 HZ PHE 38 HZ PHE 38 0.658 -5.275 -2.791 787 H THR 39 H THR 39 7.801 -6.839 1.044 788 HA THR 39 HA THR 39 10.012 -8.121 -0.192 789 HB THR 39 HB THR 39 10.283 -6.216 1.350 790 HG1 THR 39 HG1 THR 39 11.628 -8.660 1.795 791 1HG2 THR 39 1HG2 THR 39 9.466 -8.164 3.493 792 2HG2 THR 39 2HG2 THR 39 8.570 -6.729 2.999 793 3HG2 THR 39 3HG2 THR 39 10.140 -6.571 3.784 794 H VAL 40 H VAL 40 7.851 -9.112 2.457 795 HA VAL 40 HA VAL 40 9.263 -11.678 2.617 796 HB VAL 40 HB VAL 40 7.848 -12.049 4.703 797 1HG1 VAL 40 1HG1 VAL 40 10.182 -11.433 4.824 798 2HG1 VAL 40 2HG1 VAL 40 9.295 -10.602 6.095 799 3HG1 VAL 40 3HG1 VAL 40 9.793 -9.731 4.641 800 1HG2 VAL 40 1HG2 VAL 40 7.118 -9.171 4.157 801 2HG2 VAL 40 2HG2 VAL 40 7.164 -9.806 5.801 802 3HG2 VAL 40 3HG2 VAL 40 6.059 -10.505 4.612 803 H ASP 41 H ASP 41 5.837 -10.671 2.867 804 HA ASP 41 HA ASP 41 5.014 -13.086 1.478 805 1HB ASP 41 1HB ASP 41 3.808 -11.865 3.483 806 2HB ASP 41 2HB ASP 41 3.153 -10.827 2.221 807 H ARG 42 H ARG 42 3.056 -12.441 -0.223 808 HA ARG 42 HA ARG 42 4.143 -10.378 -2.005 809 1HB ARG 42 1HB ARG 42 4.780 -12.743 -2.677 810 2HB ARG 42 2HB ARG 42 3.070 -13.069 -2.931 811 1HG ARG 42 1HG ARG 42 2.959 -11.487 -4.714 812 2HG ARG 42 2HG ARG 42 4.571 -10.853 -4.346 813 1HD ARG 42 1HD ARG 42 3.932 -13.644 -5.328 814 2HD ARG 42 2HD ARG 42 4.621 -12.341 -6.291 815 HE ARG 42 HE ARG 42 6.347 -12.566 -4.182 816 1HH1 ARG 42 1HH1 ARG 42 5.111 -14.802 -6.589 817 2HH1 ARG 42 2HH1 ARG 42 6.538 -15.775 -6.584 818 1HH2 ARG 42 1HH2 ARG 42 8.195 -13.877 -4.149 819 2HH2 ARG 42 2HH2 ARG 42 8.310 -15.256 -5.204 820 H GLU 43 H GLU 43 1.814 -10.926 -0.045 821 HA GLU 43 HA GLU 43 -0.140 -9.446 -1.608 822 1HB GLU 43 1HB GLU 43 -0.907 -11.751 -1.865 823 2HB GLU 43 2HB GLU 43 -0.788 -12.010 -0.119 824 1HG GLU 43 1HG GLU 43 -2.561 -10.373 0.245 825 2HG GLU 43 2HG GLU 43 -2.650 -10.070 -1.491 826 H ILE 44 H ILE 44 -1.186 -7.978 -0.396 827 HA ILE 44 HA ILE 44 -0.572 -7.887 2.481 828 HB ILE 44 HB ILE 44 -0.635 -5.555 0.542 829 1HG1 ILE 44 1HG1 ILE 44 1.422 -6.880 0.434 830 2HG1 ILE 44 2HG1 ILE 44 1.741 -5.292 1.119 831 1HG2 ILE 44 1HG2 ILE 44 0.010 -4.164 2.501 832 2HG2 ILE 44 2HG2 ILE 44 -0.281 -5.555 3.540 833 3HG2 ILE 44 3HG2 ILE 44 -1.615 -4.843 2.636 834 1HD1 ILE 44 1HD1 ILE 44 2.978 -6.972 2.338 835 2HD1 ILE 44 2HD1 ILE 44 1.502 -7.892 2.645 836 3HD1 ILE 44 3HD1 ILE 44 1.725 -6.305 3.395 837 H VAL 45 H VAL 45 -2.232 -7.283 3.808 838 HA VAL 45 HA VAL 45 -4.886 -7.069 2.577 839 HB VAL 45 HB VAL 45 -4.164 -7.722 5.452 840 1HG1 VAL 45 1HG1 VAL 45 -6.299 -6.543 5.293 841 2HG1 VAL 45 2HG1 VAL 45 -6.534 -8.234 5.734 842 3HG1 VAL 45 3HG1 VAL 45 -6.862 -7.705 4.077 843 1HG2 VAL 45 1HG2 VAL 45 -4.942 -9.990 4.906 844 2HG2 VAL 45 2HG2 VAL 45 -3.590 -9.521 3.861 845 3HG2 VAL 45 3HG2 VAL 45 -5.239 -9.481 3.236 846 H ILE 46 H ILE 46 -6.214 -5.351 3.033 847 HA ILE 46 HA ILE 46 -4.992 -3.053 4.398 848 HB ILE 46 HB ILE 46 -6.396 -2.909 1.704 849 1HG1 ILE 46 1HG1 ILE 46 -3.432 -2.570 2.357 850 2HG1 ILE 46 2HG1 ILE 46 -4.163 -3.897 1.443 851 1HG2 ILE 46 1HG2 ILE 46 -6.727 -0.928 3.116 852 2HG2 ILE 46 2HG2 ILE 46 -5.756 -0.544 1.707 853 3HG2 ILE 46 3HG2 ILE 46 -4.985 -0.751 3.281 854 1HD1 ILE 46 1HD1 ILE 46 -4.842 -2.337 -0.299 855 2HD1 ILE 46 2HD1 ILE 46 -3.099 -2.319 -0.039 856 3HD1 ILE 46 3HD1 ILE 46 -4.109 -1.012 0.601 857 H ALA 47 H ALA 47 -6.378 -2.721 6.065 858 HA ALA 47 HA ALA 47 -9.191 -3.295 5.792 859 1HB ALA 47 1HB ALA 47 -8.065 -3.836 7.869 860 2HB ALA 47 2HB ALA 47 -9.285 -2.590 8.162 861 3HB ALA 47 3HB ALA 47 -7.578 -2.149 8.072 862 H HIS 48 H HIS 48 -10.784 -1.784 5.480 863 HA HIS 48 HA HIS 48 -10.231 1.052 6.017 864 1HB HIS 48 1HB HIS 48 -9.657 0.839 3.667 865 2HB HIS 48 2HB HIS 48 -11.164 -0.005 3.323 866 HD1 HIS 48 HD1 HIS 48 -10.067 3.394 4.638 867 HD2 HIS 48 HD2 HIS 48 -13.143 1.643 2.451 868 HE1 HIS 48 HE1 HIS 48 -11.549 5.292 3.913 869 HE2 HIS 48 HE2 HIS 48 -13.488 4.176 2.767 870 H GLY 49 H GLY 49 -11.724 1.007 7.704 871 1HA GLY 49 1HA GLY 49 -13.827 1.630 8.436 872 2HA GLY 49 2HA GLY 49 -14.456 1.360 6.824 873 H ASP 50 H ASP 50 -15.114 -0.675 6.214 874 HA ASP 50 HA ASP 50 -15.162 -2.737 8.321 875 1HB ASP 50 1HB ASP 50 -17.369 -1.763 8.254 876 2HB ASP 50 2HB ASP 50 -17.446 -1.901 6.500 877 H ASP 51 H ASP 51 -14.874 -1.883 4.960 878 HA ASP 51 HA ASP 51 -15.057 -4.599 3.992 879 1HB ASP 51 1HB ASP 51 -15.667 -2.506 2.677 880 2HB ASP 51 2HB ASP 51 -13.947 -2.180 2.514 881 H ARG 52 H ARG 52 -13.318 -5.761 3.034 882 HA ARG 52 HA ARG 52 -10.680 -5.112 4.179 883 1HB ARG 52 1HB ARG 52 -11.894 -7.847 3.734 884 2HB ARG 52 2HB ARG 52 -10.227 -7.547 4.223 885 1HG ARG 52 1HG ARG 52 -11.148 -6.367 6.258 886 2HG ARG 52 2HG ARG 52 -12.746 -6.982 5.791 887 1HD ARG 52 1HD ARG 52 -10.297 -8.642 6.414 888 2HD ARG 52 2HD ARG 52 -11.726 -8.440 7.433 889 HE ARG 52 HE ARG 52 -12.927 -9.457 5.384 890 1HH1 ARG 52 1HH1 ARG 52 -9.724 -10.340 6.476 891 2HH1 ARG 52 2HH1 ARG 52 -9.784 -11.928 5.800 892 1HH2 ARG 52 1HH2 ARG 52 -13.003 -11.576 4.468 893 2HH2 ARG 52 2HH2 ARG 52 -11.647 -12.632 4.656 894 H TYR 53 H TYR 53 -9.226 -4.640 2.687 895 HA TYR 53 HA TYR 53 -9.664 -5.599 -0.060 896 1HB TYR 53 1HB TYR 53 -8.206 -3.171 1.010 897 2HB TYR 53 2HB TYR 53 -8.123 -3.685 -0.678 898 HD1 TYR 53 HD1 TYR 53 -10.344 -2.320 1.941 899 HD2 TYR 53 HD2 TYR 53 -9.971 -3.359 -2.182 900 HE1 TYR 53 HE1 TYR 53 -12.420 -1.110 1.448 901 HE2 TYR 53 HE2 TYR 53 -12.037 -2.127 -2.680 902 HH TYR 53 HH TYR 53 -13.590 -0.112 -0.369 903 H ARG 54 H ARG 54 -7.752 -6.139 -1.314 904 HA ARG 54 HA ARG 54 -5.446 -7.036 0.263 905 1HB ARG 54 1HB ARG 54 -6.918 -8.710 -1.796 906 2HB ARG 54 2HB ARG 54 -5.421 -9.158 -0.974 907 1HG ARG 54 1HG ARG 54 -6.512 -9.389 1.110 908 2HG ARG 54 2HG ARG 54 -7.963 -8.567 0.532 909 1HD ARG 54 1HD ARG 54 -8.403 -10.906 0.678 910 2HD ARG 54 2HD ARG 54 -8.326 -10.482 -1.022 911 HE ARG 54 HE ARG 54 -5.822 -11.301 -0.553 912 1HH1 ARG 54 1HH1 ARG 54 -8.922 -12.761 0.195 913 2HH1 ARG 54 2HH1 ARG 54 -8.295 -14.370 0.156 914 1HH2 ARG 54 1HH2 ARG 54 -5.019 -13.420 -0.617 915 2HH2 ARG 54 2HH2 ARG 54 -6.092 -14.751 -0.332 916 H LEU 55 H LEU 55 -3.879 -5.810 -0.523 917 HA LEU 55 HA LEU 55 -3.640 -5.267 -3.362 918 1HB LEU 55 1HB LEU 55 -3.059 -3.566 -1.630 919 2HB LEU 55 2HB LEU 55 -1.744 -4.595 -1.107 920 HG LEU 55 HG LEU 55 -0.741 -4.359 -3.407 921 1HD1 LEU 55 1HD1 LEU 55 -2.750 -3.810 -4.640 922 2HD1 LEU 55 2HD1 LEU 55 -1.551 -2.541 -4.837 923 3HD1 LEU 55 3HD1 LEU 55 -2.918 -2.290 -3.746 924 1HD2 LEU 55 1HD2 LEU 55 -1.179 -1.759 -1.915 925 2HD2 LEU 55 2HD2 LEU 55 0.122 -2.121 -3.039 926 3HD2 LEU 55 3HD2 LEU 55 0.035 -2.990 -1.515 927 H ARG 56 H ARG 56 -2.772 -6.772 -4.661 928 HA ARG 56 HA ARG 56 -0.939 -8.746 -3.434 929 1HB ARG 56 1HB ARG 56 -3.133 -9.719 -3.964 930 2HB ARG 56 2HB ARG 56 -2.980 -9.183 -5.641 931 1HG ARG 56 1HG ARG 56 -1.033 -10.651 -5.926 932 2HG ARG 56 2HG ARG 56 -1.189 -11.205 -4.252 933 1HD ARG 56 1HD ARG 56 -3.299 -11.526 -6.384 934 2HD ARG 56 2HD ARG 56 -2.155 -12.777 -5.917 935 HE ARG 56 HE ARG 56 -3.641 -11.797 -3.705 936 1HH1 ARG 56 1HH1 ARG 56 -3.813 -13.988 -6.405 937 2HH1 ARG 56 2HH1 ARG 56 -4.966 -15.039 -5.649 938 1HH2 ARG 56 1HH2 ARG 56 -5.159 -13.145 -2.685 939 2HH2 ARG 56 2HH2 ARG 56 -5.757 -14.542 -3.516 940 H LEU 57 H LEU 57 0.852 -9.357 -4.609 941 HA LEU 57 HA LEU 57 1.366 -7.870 -7.106 942 1HB LEU 57 1HB LEU 57 2.779 -7.472 -4.888 943 2HB LEU 57 2HB LEU 57 3.590 -8.967 -5.381 944 HG LEU 57 HG LEU 57 3.412 -6.481 -7.126 945 1HD1 LEU 57 1HD1 LEU 57 5.690 -7.433 -5.370 946 2HD1 LEU 57 2HD1 LEU 57 4.691 -5.993 -5.110 947 3HD1 LEU 57 3HD1 LEU 57 5.749 -6.088 -6.517 948 1HD2 LEU 57 1HD2 LEU 57 3.762 -8.578 -8.376 949 2HD2 LEU 57 2HD2 LEU 57 5.155 -8.949 -7.345 950 3HD2 LEU 57 3HD2 LEU 57 5.196 -7.540 -8.421 951 H THR 58 H THR 58 2.065 -9.025 -8.816 952 HA THR 58 HA THR 58 1.584 -11.855 -8.877 953 HB THR 58 HB THR 58 2.414 -11.703 -11.225 954 HG1 THR 58 HG1 THR 58 3.224 -9.233 -10.237 955 1HG2 THR 58 1HG2 THR 58 0.409 -9.574 -10.456 956 2HG2 THR 58 2HG2 THR 58 0.043 -11.263 -10.729 957 3HG2 THR 58 3HG2 THR 58 0.606 -10.268 -12.065 958 H SER 59 H SER 59 3.470 -13.105 -10.215 959 HA SER 59 HA SER 59 5.486 -13.697 -8.429 960 1HB SER 59 1HB SER 59 4.751 -15.004 -10.523 961 2HB SER 59 2HB SER 59 5.823 -13.944 -11.427 962 HG SER 59 HG SER 59 7.459 -15.037 -10.737 963 H GLN 60 H GLN 60 5.420 -11.270 -10.985 964 HA GLN 60 HA GLN 60 7.344 -9.615 -9.742 965 1HB GLN 60 1HB GLN 60 8.898 -11.375 -10.534 966 2HB GLN 60 2HB GLN 60 8.324 -11.124 -12.171 967 1HG GLN 60 1HG GLN 60 10.501 -10.078 -11.786 968 2HG GLN 60 2HG GLN 60 9.250 -8.880 -12.212 969 1HE2 GLN 60 2HE2 GLN 60 8.628 -7.378 -10.699 970 2HE2 GLN 60 1HE2 GLN 60 9.477 -7.097 -9.234 971 H ASN 61 H ASN 61 5.299 -10.457 -12.314 972 HA ASN 61 HA ASN 61 5.719 -8.595 -14.286 973 1HB ASN 61 1HB ASN 61 4.105 -10.467 -14.421 974 2HB ASN 61 2HB ASN 61 3.013 -9.560 -13.390 975 1HD2 ASN 61 2HD2 ASN 61 2.717 -10.592 -16.138 976 2HD2 ASN 61 1HD2 ASN 61 2.320 -9.206 -17.110 977 H LYS 62 H LYS 62 3.081 -8.209 -11.926 978 HA LYS 62 HA LYS 62 3.710 -5.449 -11.420 979 1HB LYS 62 1HB LYS 62 1.613 -4.525 -12.262 980 2HB LYS 62 2HB LYS 62 2.648 -5.164 -13.547 981 1HG LYS 62 1HG LYS 62 1.297 -7.118 -13.747 982 2HG LYS 62 2HG LYS 62 0.362 -6.697 -12.309 983 1HD LYS 62 1HD LYS 62 -0.815 -6.164 -14.373 984 2HD LYS 62 2HD LYS 62 -0.510 -4.715 -13.437 985 1HE LYS 62 1HE LYS 62 -0.053 -4.246 -15.758 986 2HE LYS 62 2HE LYS 62 1.483 -4.309 -14.911 987 1HZ LYS 62 1HZ LYS 62 1.765 -6.588 -15.724 988 2HZ LYS 62 2HZ LYS 62 1.619 -5.480 -16.992 989 3HZ LYS 62 3HZ LYS 62 0.302 -6.475 -16.584 990 H LEU 63 H LEU 63 1.207 -4.612 -10.473 991 HA LEU 63 HA LEU 63 0.427 -6.676 -8.527 992 1HB LEU 63 1HB LEU 63 0.433 -5.090 -6.675 993 2HB LEU 63 2HB LEU 63 2.044 -5.308 -7.312 994 HG LEU 63 HG LEU 63 0.313 -2.928 -8.015 995 1HD1 LEU 63 1HD1 LEU 63 1.568 -1.658 -6.336 996 2HD1 LEU 63 2HD1 LEU 63 2.368 -3.145 -5.819 997 3HD1 LEU 63 3HD1 LEU 63 0.625 -2.954 -5.597 998 1HD2 LEU 63 1HD2 LEU 63 2.184 -3.424 -9.533 999 2HD2 LEU 63 2HD2 LEU 63 3.295 -3.380 -8.164 1000 3HD2 LEU 63 3HD2 LEU 63 2.440 -1.920 -8.661 1001 H ILE 64 H ILE 64 -1.624 -6.038 -7.410 1002 HA ILE 64 HA ILE 64 -3.371 -4.295 -8.925 1003 HB ILE 64 HB ILE 64 -5.087 -6.222 -9.142 1004 1HG1 ILE 64 1HG1 ILE 64 -3.891 -8.445 -9.670 1005 2HG1 ILE 64 2HG1 ILE 64 -2.531 -7.803 -8.775 1006 1HG2 ILE 64 1HG2 ILE 64 -4.098 -5.103 -11.046 1007 2HG2 ILE 64 2HG2 ILE 64 -4.238 -6.833 -11.361 1008 3HG2 ILE 64 3HG2 ILE 64 -2.669 -6.131 -10.950 1009 1HD1 ILE 64 1HD1 ILE 64 -5.308 -8.263 -7.685 1010 2HD1 ILE 64 2HD1 ILE 64 -3.933 -7.614 -6.784 1011 3HD1 ILE 64 3HD1 ILE 64 -3.883 -9.256 -7.408 1012 H LEU 65 H LEU 65 -5.660 -4.445 -8.002 1013 HA LEU 65 HA LEU 65 -5.532 -4.789 -5.067 1014 1HB LEU 65 1HB LEU 65 -5.917 -2.454 -5.868 1015 2HB LEU 65 2HB LEU 65 -7.361 -2.991 -6.698 1016 HG LEU 65 HG LEU 65 -7.717 -1.761 -4.511 1017 1HD1 LEU 65 1HD1 LEU 65 -8.860 -4.531 -4.479 1018 2HD1 LEU 65 2HD1 LEU 65 -9.395 -3.288 -5.600 1019 3HD1 LEU 65 3HD1 LEU 65 -9.586 -3.049 -3.864 1020 1HD2 LEU 65 1HD2 LEU 65 -6.648 -4.309 -3.291 1021 2HD2 LEU 65 2HD2 LEU 65 -7.421 -2.988 -2.429 1022 3HD2 LEU 65 3HD2 LEU 65 -5.878 -2.729 -3.238 1023 H THR 66 H THR 66 -7.410 -5.862 -4.115 1024 HA THR 66 HA THR 66 -9.313 -7.149 -5.737 1025 HB THR 66 HB THR 66 -7.477 -8.506 -6.583 1026 HG1 THR 66 HG1 THR 66 -9.062 -9.926 -6.439 1027 1HG2 THR 66 1HG2 THR 66 -6.888 -9.157 -3.692 1028 2HG2 THR 66 2HG2 THR 66 -5.882 -8.174 -4.755 1029 3HG2 THR 66 3HG2 THR 66 -6.102 -9.897 -5.094 1030 H LYS 67 H LYS 67 -10.620 -8.704 -4.500 1031 HA LYS 67 HA LYS 67 -9.951 -9.614 -1.957 1032 1HB LYS 67 1HB LYS 67 -11.378 -8.422 -0.463 1033 2HB LYS 67 2HB LYS 67 -10.371 -7.247 -1.259 1034 1HG LYS 67 1HG LYS 67 -13.099 -7.803 -2.298 1035 2HG LYS 67 2HG LYS 67 -12.889 -6.788 -0.884 1036 1HD LYS 67 1HD LYS 67 -11.339 -5.379 -2.244 1037 2HD LYS 67 2HD LYS 67 -11.760 -6.338 -3.647 1038 1HE LYS 67 1HE LYS 67 -13.042 -4.200 -3.440 1039 2HE LYS 67 2HE LYS 67 -14.050 -5.646 -3.516 1040 1HZ LYS 67 1HZ LYS 67 -14.474 -5.532 -1.215 1041 2HZ LYS 67 2HZ LYS 67 -14.681 -3.964 -1.795 1042 3HZ LYS 67 3HZ LYS 67 -13.279 -4.370 -0.948 Start of MODEL 3 1 1H MET 1 1H MET 1 52.458 47.648 -5.587 2 2H MET 1 2H MET 1 51.626 49.060 -5.949 3 3H MET 1 3H MET 1 52.748 48.455 -7.047 4 HA MET 1 HA MET 1 50.499 47.981 -7.759 5 1HB MET 1 1HB MET 1 52.122 45.592 -6.863 6 2HB MET 1 2HB MET 1 50.722 45.470 -7.918 7 1HG MET 1 1HG MET 1 51.820 46.857 -9.581 8 2HG MET 1 2HG MET 1 53.229 47.015 -8.524 9 1HE MET 1 1HE MET 1 51.074 44.501 -10.649 10 2HE MET 1 2HE MET 1 51.060 43.756 -9.044 11 3HE MET 1 3HE MET 1 51.932 42.978 -10.365 12 H MET 2 H MET 2 48.457 47.851 -7.087 13 HA MET 2 HA MET 2 47.683 46.221 -4.829 14 1HB MET 2 1HB MET 2 48.483 48.293 -3.711 15 2HB MET 2 2HB MET 2 47.354 49.240 -4.665 16 1HG MET 2 1HG MET 2 45.482 48.031 -3.621 17 2HG MET 2 2HG MET 2 46.629 47.133 -2.617 18 1HE MET 2 1HE MET 2 44.945 49.565 -0.063 19 2HE MET 2 2HE MET 2 45.239 47.893 -0.479 20 3HE MET 2 3HE MET 2 44.133 48.872 -1.452 21 H THR 3 H THR 3 46.482 45.271 -6.541 22 HA THR 3 HA THR 3 44.242 46.819 -7.637 23 HB THR 3 HB THR 3 44.863 43.876 -8.032 24 HG1 THR 3 HG1 THR 3 46.006 46.158 -9.124 25 1HG2 THR 3 1HG2 THR 3 43.221 45.809 -9.673 26 2HG2 THR 3 2HG2 THR 3 42.578 44.516 -8.662 27 3HG2 THR 3 3HG2 THR 3 43.544 44.129 -10.081 28 H ALA 4 H ALA 4 44.947 44.973 -4.907 29 HA ALA 4 HA ALA 4 42.619 43.531 -4.417 30 1HB ALA 4 1HB ALA 4 43.303 43.520 -2.091 31 2HB ALA 4 2HB ALA 4 44.413 44.864 -2.369 32 3HB ALA 4 3HB ALA 4 44.699 43.294 -3.117 33 H SER 5 H SER 5 40.856 44.787 -5.068 34 HA SER 5 HA SER 5 39.694 46.386 -2.952 35 1HB SER 5 1HB SER 5 39.180 48.287 -4.629 36 2HB SER 5 2HB SER 5 40.830 48.210 -4.005 37 HG SER 5 HG SER 5 41.534 47.343 -5.910 38 H ASP 6 H ASP 6 39.242 43.873 -4.248 39 HA ASP 6 HA ASP 6 37.215 44.011 -6.230 40 1HB ASP 6 1HB ASP 6 38.509 41.973 -5.985 41 2HB ASP 6 2HB ASP 6 37.988 41.789 -4.311 42 H ARG 7 H ARG 7 35.022 43.476 -6.076 43 HA ARG 7 HA ARG 7 33.721 44.652 -3.736 44 1HB ARG 7 1HB ARG 7 32.671 43.721 -6.411 45 2HB ARG 7 2HB ARG 7 31.621 44.320 -5.121 46 1HG ARG 7 1HG ARG 7 32.052 46.058 -6.763 47 2HG ARG 7 2HG ARG 7 32.755 46.494 -5.216 48 1HD ARG 7 1HD ARG 7 34.213 47.007 -7.160 49 2HD ARG 7 2HD ARG 7 34.962 45.931 -5.977 50 HE ARG 7 HE ARG 7 33.665 44.476 -8.076 51 1HH1 ARG 7 1HH1 ARG 7 36.596 46.197 -7.241 52 2HH1 ARG 7 2HH1 ARG 7 37.607 45.291 -8.330 53 1HH2 ARG 7 1HH2 ARG 7 34.975 43.280 -9.514 54 2HH2 ARG 7 2HH2 ARG 7 36.677 43.624 -9.623 55 H LEU 8 H LEU 8 34.002 43.132 -2.148 56 HA LEU 8 HA LEU 8 33.286 40.368 -2.566 57 1HB LEU 8 1HB LEU 8 33.969 41.869 -0.034 58 2HB LEU 8 2HB LEU 8 33.783 40.120 -0.154 59 HG LEU 8 HG LEU 8 35.884 41.744 -1.613 60 1HD1 LEU 8 1HD1 LEU 8 37.481 40.752 -0.020 61 2HD1 LEU 8 2HD1 LEU 8 36.131 40.035 0.878 62 3HD1 LEU 8 3HD1 LEU 8 36.299 41.796 0.787 63 1HD2 LEU 8 1HD2 LEU 8 36.901 39.516 -2.019 64 2HD2 LEU 8 2HD2 LEU 8 35.337 39.744 -2.808 65 3HD2 LEU 8 3HD2 LEU 8 35.451 38.774 -1.341 66 H GLY 9 H GLY 9 31.204 39.904 -2.768 67 1HA GLY 9 1HA GLY 9 29.342 40.811 -0.666 68 2HA GLY 9 2HA GLY 9 28.891 41.033 -2.348 69 H ALA 10 H ALA 10 29.043 38.868 0.270 70 HA ALA 10 HA ALA 10 28.544 36.493 -1.353 71 1HB ALA 10 1HB ALA 10 28.764 36.787 1.663 72 2HB ALA 10 2HB ALA 10 30.052 36.288 0.554 73 3HB ALA 10 3HB ALA 10 28.639 35.259 0.764 74 H ASP 11 H ASP 11 26.550 35.790 -1.778 75 HA ASP 11 HA ASP 11 24.306 36.975 -0.295 76 1HB ASP 11 1HB ASP 11 24.389 35.930 -3.146 77 2HB ASP 11 2HB ASP 11 22.946 36.547 -2.342 78 HA PRO 12 HA PRO 12 23.856 32.683 1.065 79 1HB PRO 12 1HB PRO 12 22.058 33.219 3.035 80 2HB PRO 12 2HB PRO 12 23.792 33.551 3.214 81 1HG PRO 12 1HG PRO 12 21.564 35.427 2.476 82 2HG PRO 12 2HG PRO 12 22.874 35.670 3.639 83 1HD PRO 12 1HD PRO 12 22.960 36.691 1.139 84 2HD PRO 12 2HD PRO 12 24.425 36.161 1.981 85 H THR 13 H THR 13 22.658 31.302 -0.100 86 HA THR 13 HA THR 13 20.165 32.072 -1.261 87 HB THR 13 HB THR 13 21.475 30.504 -2.505 88 HG1 THR 13 HG1 THR 13 19.089 30.141 -2.359 89 1HG2 THR 13 1HG2 THR 13 21.369 28.667 -0.110 90 2HG2 THR 13 2HG2 THR 13 22.786 29.525 -0.704 91 3HG2 THR 13 3HG2 THR 13 22.052 28.265 -1.682 92 H GLN 14 H GLN 14 18.670 32.589 0.236 93 HA GLN 14 HA GLN 14 18.089 30.743 2.447 94 1HB GLN 14 1HB GLN 14 17.146 33.566 1.892 95 2HB GLN 14 2HB GLN 14 16.677 32.624 3.300 96 1HG GLN 14 1HG GLN 14 19.488 33.487 2.582 97 2HG GLN 14 2HG GLN 14 18.453 34.249 3.780 98 1HE2 GLN 14 2HE2 GLN 14 18.026 33.182 5.707 99 2HE2 GLN 14 1HE2 GLN 14 18.989 31.859 6.263 100 H ALA 15 H ALA 15 15.572 30.940 3.015 101 HA ALA 15 HA ALA 15 13.449 30.295 2.514 102 1HB ALA 15 1HB ALA 15 14.040 31.251 -0.293 103 2HB ALA 15 2HB ALA 15 13.410 32.246 1.029 104 3HB ALA 15 3HB ALA 15 12.454 30.907 0.385 105 H ALA 16 H ALA 16 16.039 28.699 1.773 106 HA ALA 16 HA ALA 16 15.087 26.803 -0.170 107 1HB ALA 16 1HB ALA 16 17.196 25.640 0.262 108 2HB ALA 16 2HB ALA 16 17.544 26.768 1.576 109 3HB ALA 16 3HB ALA 16 17.453 27.353 -0.090 110 H SER 17 H SER 17 13.195 25.994 0.775 111 HA SER 17 HA SER 17 13.282 24.753 3.378 112 1HB SER 17 1HB SER 17 11.253 25.945 2.401 113 2HB SER 17 2HB SER 17 11.056 24.557 1.346 114 HG SER 17 HG SER 17 10.650 24.772 4.086 115 H SER 18 H SER 18 13.992 22.741 3.728 116 HA SER 18 HA SER 18 14.652 20.995 1.540 117 1HB SER 18 1HB SER 18 14.791 20.401 4.520 118 2HB SER 18 2HB SER 18 15.662 19.613 3.219 119 HG SER 18 HG SER 18 16.491 21.875 2.821 120 HA PRO 19 HA PRO 19 10.640 18.889 1.706 121 1HB PRO 19 1HB PRO 19 11.161 17.192 -0.355 122 2HB PRO 19 2HB PRO 19 10.654 18.858 -0.607 123 1HG PRO 19 1HG PRO 19 13.416 17.692 -0.687 124 2HG PRO 19 2HG PRO 19 12.670 18.866 -1.779 125 1HD PRO 19 1HD PRO 19 14.374 19.626 0.162 126 2HD PRO 19 2HD PRO 19 13.000 20.653 -0.329 127 H GLY 20 H GLY 20 10.620 17.669 3.521 128 1HA GLY 20 1HA GLY 20 11.864 15.032 3.422 129 2HA GLY 20 2HA GLY 20 12.385 16.090 4.732 130 H GLY 21 H GLY 21 9.612 14.475 3.273 131 1HA GLY 21 1HA GLY 21 8.228 14.560 5.904 132 2HA GLY 21 2HA GLY 21 7.379 14.673 4.361 133 H ALA 22 H ALA 22 9.820 12.520 5.802 134 HA ALA 22 HA ALA 22 8.640 10.231 4.504 135 1HB ALA 22 1HB ALA 22 10.443 8.959 5.569 136 2HB ALA 22 2HB ALA 22 10.920 10.394 6.493 137 3HB ALA 22 3HB ALA 22 11.067 10.385 4.729 138 H ARG 23 H ARG 23 7.158 8.905 5.384 139 HA ARG 23 HA ARG 23 6.584 9.195 8.267 140 1HB ARG 23 1HB ARG 23 4.245 8.724 7.825 141 2HB ARG 23 2HB ARG 23 4.751 10.134 6.919 142 1HG ARG 23 1HG ARG 23 4.967 8.761 4.912 143 2HG ARG 23 2HG ARG 23 4.391 7.347 5.821 144 1HD ARG 23 1HD ARG 23 2.535 8.277 4.562 145 2HD ARG 23 2HD ARG 23 2.262 8.602 6.279 146 HE ARG 23 HE ARG 23 3.528 10.832 5.445 147 1HH1 ARG 23 1HH1 ARG 23 0.686 9.149 4.243 148 2HH1 ARG 23 2HH1 ARG 23 -0.006 10.591 3.555 149 1HH2 ARG 23 1HH2 ARG 23 2.610 12.688 4.551 150 2HH2 ARG 23 2HH2 ARG 23 1.070 12.609 3.738 151 H ALA 24 H ALA 24 6.604 7.414 9.451 152 HA ALA 24 HA ALA 24 7.294 4.892 8.127 153 1HB ALA 24 1HB ALA 24 8.749 5.644 9.940 154 2HB ALA 24 2HB ALA 24 7.938 4.128 10.359 155 3HB ALA 24 3HB ALA 24 7.378 5.649 11.054 156 H VAL 25 H VAL 25 5.652 3.621 7.625 157 HA VAL 25 HA VAL 25 3.264 3.582 9.371 158 HB VAL 25 HB VAL 25 2.048 2.661 7.383 159 1HG1 VAL 25 1HG1 VAL 25 1.910 5.030 8.009 160 2HG1 VAL 25 2HG1 VAL 25 1.792 4.825 6.255 161 3HG1 VAL 25 3HG1 VAL 25 3.305 5.395 6.993 162 1HG2 VAL 25 1HG2 VAL 25 3.935 1.797 6.145 163 2HG2 VAL 25 2HG2 VAL 25 4.586 3.427 5.938 164 3HG2 VAL 25 3HG2 VAL 25 3.066 2.975 5.155 165 H SER 26 H SER 26 2.534 1.693 10.166 166 HA SER 26 HA SER 26 4.477 -0.497 10.029 167 1HB SER 26 1HB SER 26 2.213 -0.015 12.013 168 2HB SER 26 2HB SER 26 3.440 -1.275 12.124 169 HG SER 26 HG SER 26 3.999 1.502 12.099 170 H ILE 27 H ILE 27 3.908 -2.597 9.749 171 HA ILE 27 HA ILE 27 1.247 -3.211 8.613 172 HB ILE 27 HB ILE 27 3.970 -3.929 7.546 173 1HG1 ILE 27 1HG1 ILE 27 2.823 -3.636 5.367 174 2HG1 ILE 27 2HG1 ILE 27 1.308 -3.323 6.222 175 1HG2 ILE 27 1HG2 ILE 27 2.964 -5.833 6.287 176 2HG2 ILE 27 2HG2 ILE 27 1.535 -5.710 7.337 177 3HG2 ILE 27 3HG2 ILE 27 3.115 -6.104 8.032 178 1HD1 ILE 27 1HD1 ILE 27 2.427 -1.293 5.391 179 2HD1 ILE 27 2HD1 ILE 27 3.770 -1.619 6.495 180 3HD1 ILE 27 3HD1 ILE 27 2.161 -1.288 7.125 181 H VAL 28 H VAL 28 0.244 -4.849 9.690 182 HA VAL 28 HA VAL 28 1.798 -6.212 11.763 183 HB VAL 28 HB VAL 28 -0.394 -6.765 12.812 184 1HG1 VAL 28 1HG1 VAL 28 0.865 -4.790 13.498 185 2HG1 VAL 28 2HG1 VAL 28 -0.870 -4.502 13.603 186 3HG1 VAL 28 3HG1 VAL 28 0.051 -3.829 12.266 187 1HG2 VAL 28 1HG2 VAL 28 -2.446 -5.661 12.057 188 2HG2 VAL 28 2HG2 VAL 28 -1.815 -6.725 10.796 189 3HG2 VAL 28 3HG2 VAL 28 -1.580 -4.975 10.669 190 H GLY 29 H GLY 29 2.718 -7.916 10.730 191 1HA GLY 29 1HA GLY 29 2.747 -10.104 9.920 192 2HA GLY 29 2HA GLY 29 0.990 -10.081 9.832 193 H ASN 30 H ASN 30 0.039 -8.715 8.092 194 HA ASN 30 HA ASN 30 1.737 -7.715 6.018 195 1HB ASN 30 1HB ASN 30 1.059 -9.105 4.211 196 2HB ASN 30 2HB ASN 30 1.556 -10.187 5.508 197 1HD2 ASN 30 2HD2 ASN 30 -0.225 -10.566 3.209 198 2HD2 ASN 30 1HD2 ASN 30 -1.715 -11.135 3.858 199 H GLN 31 H GLN 31 -0.477 -6.958 7.907 200 HA GLN 31 HA GLN 31 -2.416 -5.951 5.933 201 1HB GLN 31 1HB GLN 31 -3.502 -7.607 7.338 202 2HB GLN 31 2HB GLN 31 -2.943 -6.782 8.793 203 1HG GLN 31 1HG GLN 31 -4.297 -4.829 8.155 204 2HG GLN 31 2HG GLN 31 -4.908 -5.714 6.776 205 1HE2 GLN 31 2HE2 GLN 31 -4.953 -5.423 10.234 206 2HE2 GLN 31 1HE2 GLN 31 -6.345 -6.417 10.502 207 H ILE 32 H ILE 32 -2.275 -3.793 5.702 208 HA ILE 32 HA ILE 32 -1.865 -2.162 8.127 209 HB ILE 32 HB ILE 32 -0.094 -1.857 6.444 210 1HG1 ILE 32 1HG1 ILE 32 -1.920 0.565 6.585 211 2HG1 ILE 32 2HG1 ILE 32 -0.815 0.064 7.856 212 1HG2 ILE 32 1HG2 ILE 32 -1.348 -2.447 4.447 213 2HG2 ILE 32 2HG2 ILE 32 -0.598 -0.853 4.256 214 3HG2 ILE 32 3HG2 ILE 32 -2.314 -0.995 4.594 215 1HD1 ILE 32 1HD1 ILE 32 0.078 1.904 6.512 216 2HD1 ILE 32 2HD1 ILE 32 0.018 0.871 5.079 217 3HD1 ILE 32 3HD1 ILE 32 1.085 0.455 6.411 218 H ASP 33 H ASP 33 -3.148 -0.214 8.294 219 HA ASP 33 HA ASP 33 -5.794 -0.495 7.105 220 1HB ASP 33 1HB ASP 33 -4.703 1.316 9.278 221 2HB ASP 33 2HB ASP 33 -6.369 1.399 8.675 222 H SER 34 H SER 34 -6.736 1.034 5.822 223 HA SER 34 HA SER 34 -5.099 2.468 4.033 224 1HB SER 34 1HB SER 34 -7.252 3.465 3.213 225 2HB SER 34 2HB SER 34 -7.301 1.706 3.334 226 HG SER 34 HG SER 34 -8.157 2.337 5.607 227 H ARG 35 H ARG 35 -6.386 3.264 7.099 228 HA ARG 35 HA ARG 35 -6.476 6.093 6.891 229 1HB ARG 35 1HB ARG 35 -7.625 4.968 8.709 230 2HB ARG 35 2HB ARG 35 -6.111 4.309 9.312 231 1HG ARG 35 1HG ARG 35 -6.813 6.198 10.665 232 2HG ARG 35 2HG ARG 35 -5.301 6.545 9.826 233 1HD ARG 35 1HD ARG 35 -6.674 7.746 8.085 234 2HD ARG 35 2HD ARG 35 -8.070 7.548 9.137 235 HE ARG 35 HE ARG 35 -5.831 8.742 10.464 236 1HH1 ARG 35 1HH1 ARG 35 -8.666 9.390 8.509 237 2HH1 ARG 35 2HH1 ARG 35 -8.732 11.079 8.939 238 1HH2 ARG 35 1HH2 ARG 35 -5.882 10.959 10.991 239 2HH2 ARG 35 2HH2 ARG 35 -7.156 11.967 10.375 240 H GLU 36 H GLU 36 -3.942 3.842 7.913 241 HA GLU 36 HA GLU 36 -2.169 5.730 8.938 242 1HB GLU 36 1HB GLU 36 -1.523 3.065 7.655 243 2HB GLU 36 2HB GLU 36 -0.444 3.986 8.689 244 1HG GLU 36 1HG GLU 36 -3.051 2.704 9.511 245 2HG GLU 36 2HG GLU 36 -1.428 2.214 9.974 246 H LEU 37 H LEU 37 -2.551 4.482 5.693 247 HA LEU 37 HA LEU 37 -0.286 5.872 4.627 248 1HB LEU 37 1HB LEU 37 -2.653 4.609 3.225 249 2HB LEU 37 2HB LEU 37 -1.206 5.188 2.421 250 HG LEU 37 HG LEU 37 -1.289 2.935 4.431 251 1HD1 LEU 37 1HD1 LEU 37 -0.797 1.494 2.510 252 2HD1 LEU 37 2HD1 LEU 37 -0.958 2.880 1.429 253 3HD1 LEU 37 3HD1 LEU 37 -2.355 2.300 2.343 254 1HD2 LEU 37 1HD2 LEU 37 0.819 4.138 4.521 255 2HD2 LEU 37 2HD2 LEU 37 0.994 4.005 2.764 256 3HD2 LEU 37 3HD2 LEU 37 1.045 2.548 3.773 257 H PHE 38 H PHE 38 -3.801 6.431 4.479 258 HA PHE 38 HA PHE 38 -3.326 8.900 2.951 259 1HB PHE 38 1HB PHE 38 -5.859 7.323 3.344 260 2HB PHE 38 2HB PHE 38 -5.666 8.726 2.312 261 HD1 PHE 38 HD2 PHE 38 -4.406 8.580 0.222 262 HD2 PHE 38 HD1 PHE 38 -5.054 5.154 2.677 263 HE1 PHE 38 HE2 PHE 38 -3.774 7.110 -1.654 264 HE2 PHE 38 HE1 PHE 38 -4.419 3.698 0.805 265 HZ PHE 38 HZ PHE 38 -3.787 4.658 -1.370 266 H THR 39 H THR 39 -3.301 8.444 6.044 267 HA THR 39 HA THR 39 -5.431 9.918 7.130 268 HB THR 39 HB THR 39 -3.990 8.639 8.575 269 HG1 THR 39 HG1 THR 39 -3.547 11.349 9.305 270 1HG2 THR 39 1HG2 THR 39 -1.701 9.349 9.104 271 2HG2 THR 39 2HG2 THR 39 -1.807 10.608 7.895 272 3HG2 THR 39 3HG2 THR 39 -1.854 8.921 7.399 273 H VAL 40 H VAL 40 -2.325 10.975 5.804 274 HA VAL 40 HA VAL 40 -3.388 13.701 5.625 275 HB VAL 40 HB VAL 40 -0.484 13.074 6.324 276 1HG1 VAL 40 1HG1 VAL 40 -1.952 15.721 6.196 277 2HG1 VAL 40 2HG1 VAL 40 -0.749 15.134 5.049 278 3HG1 VAL 40 3HG1 VAL 40 -0.282 15.488 6.713 279 1HG2 VAL 40 1HG2 VAL 40 -0.977 13.998 8.549 280 2HG2 VAL 40 2HG2 VAL 40 -1.880 12.523 8.232 281 3HG2 VAL 40 3HG2 VAL 40 -2.687 14.097 8.134 282 H ASP 41 H ASP 41 -3.938 12.690 3.480 283 HA ASP 41 HA ASP 41 -2.618 13.727 1.397 284 1HB ASP 41 1HB ASP 41 -0.776 11.993 2.175 285 2HB ASP 41 2HB ASP 41 -1.801 10.840 1.318 286 H ARG 42 H ARG 42 -3.373 12.541 -0.723 287 HA ARG 42 HA ARG 42 -5.935 11.193 -0.150 288 1HB ARG 42 1HB ARG 42 -6.113 13.475 -1.148 289 2HB ARG 42 2HB ARG 42 -5.245 12.884 -2.549 290 1HG ARG 42 1HG ARG 42 -7.522 12.870 -3.152 291 2HG ARG 42 2HG ARG 42 -7.100 11.191 -2.820 292 1HD ARG 42 1HD ARG 42 -8.416 13.026 -0.828 293 2HD ARG 42 2HD ARG 42 -9.313 11.939 -1.899 294 HE ARG 42 HE ARG 42 -7.613 10.261 -0.651 295 1HH1 ARG 42 1HH1 ARG 42 -9.861 12.677 0.525 296 2HH1 ARG 42 2HH1 ARG 42 -10.146 11.848 2.026 297 1HH2 ARG 42 1HH2 ARG 42 -8.016 9.161 1.317 298 2HH2 ARG 42 2HH2 ARG 42 -9.129 9.842 2.459 299 H GLU 43 H GLU 43 -2.859 10.833 -1.538 300 HA GLU 43 HA GLU 43 -3.611 8.431 -2.960 301 1HB GLU 43 1HB GLU 43 -3.917 10.350 -4.581 302 2HB GLU 43 2HB GLU 43 -2.191 10.668 -4.403 303 1HG GLU 43 1HG GLU 43 -1.707 8.409 -5.267 304 2HG GLU 43 2HG GLU 43 -3.429 8.123 -5.466 305 H ILE 44 H ILE 44 -1.939 7.010 -3.211 306 HA ILE 44 HA ILE 44 0.678 7.799 -2.122 307 HB ILE 44 HB ILE 44 -0.747 5.158 -1.712 308 1HG1 ILE 44 1HG1 ILE 44 -1.564 6.960 -0.240 309 2HG1 ILE 44 2HG1 ILE 44 -0.691 5.722 0.659 310 1HG2 ILE 44 1HG2 ILE 44 1.625 4.773 -2.053 311 2HG2 ILE 44 2HG2 ILE 44 1.203 4.501 -0.363 312 3HG2 ILE 44 3HG2 ILE 44 2.020 5.993 -0.848 313 1HD1 ILE 44 1HD1 ILE 44 0.367 8.410 -0.136 314 2HD1 ILE 44 2HD1 ILE 44 1.265 7.166 0.725 315 3HD1 ILE 44 3HD1 ILE 44 -0.143 7.909 1.473 316 H VAL 45 H VAL 45 2.443 7.060 -3.258 317 HA VAL 45 HA VAL 45 1.894 5.856 -5.873 318 HB VAL 45 HB VAL 45 4.376 7.324 -4.935 319 1HG1 VAL 45 1HG1 VAL 45 3.546 6.449 -7.717 320 2HG1 VAL 45 2HG1 VAL 45 4.794 5.683 -6.745 321 3HG1 VAL 45 3HG1 VAL 45 5.014 7.347 -7.301 322 1HG2 VAL 45 1HG2 VAL 45 2.106 8.291 -6.690 323 2HG2 VAL 45 2HG2 VAL 45 3.586 9.180 -6.331 324 3HG2 VAL 45 3HG2 VAL 45 2.445 8.810 -5.047 325 H ILE 46 H ILE 46 3.036 4.090 -6.589 326 HA ILE 46 HA ILE 46 4.616 2.597 -4.621 327 HB ILE 46 HB ILE 46 2.365 1.350 -6.225 328 1HG1 ILE 46 1HG1 ILE 46 2.583 1.956 -3.257 329 2HG1 ILE 46 2HG1 ILE 46 1.461 2.694 -4.397 330 1HG2 ILE 46 1HG2 ILE 46 4.192 0.153 -4.141 331 2HG2 ILE 46 2HG2 ILE 46 4.303 -0.128 -5.879 332 3HG2 ILE 46 3HG2 ILE 46 2.893 -0.684 -4.984 333 1HD1 ILE 46 1HD1 ILE 46 0.318 1.091 -3.054 334 2HD1 ILE 46 2HD1 ILE 46 1.477 -0.173 -3.465 335 3HD1 ILE 46 3HD1 ILE 46 0.409 0.482 -4.706 336 H ALA 47 H ALA 47 6.550 2.613 -5.642 337 HA ALA 47 HA ALA 47 6.702 2.413 -8.532 338 1HB ALA 47 1HB ALA 47 9.121 2.706 -8.210 339 2HB ALA 47 2HB ALA 47 8.890 2.620 -6.460 340 3HB ALA 47 3HB ALA 47 8.177 3.947 -7.381 341 H HIS 48 H HIS 48 7.332 0.637 -9.700 342 HA HIS 48 HA HIS 48 8.341 -1.720 -8.280 343 1HB HIS 48 1HB HIS 48 5.921 -2.001 -8.220 344 2HB HIS 48 2HB HIS 48 5.809 -1.709 -9.939 345 HD1 HIS 48 HD1 HIS 48 7.382 -4.226 -7.575 346 HD2 HIS 48 HD2 HIS 48 5.899 -3.982 -11.458 347 HE1 HIS 48 HE1 HIS 48 7.405 -6.581 -8.468 348 HE2 HIS 48 HE2 HIS 48 6.730 -6.351 -10.878 349 H GLY 49 H GLY 49 10.295 -1.639 -9.413 350 1HA GLY 49 1HA GLY 49 11.514 -2.659 -11.127 351 2HA GLY 49 2HA GLY 49 10.105 -2.594 -12.189 352 H ASP 50 H ASP 50 9.936 -0.939 -13.584 353 HA ASP 50 HA ASP 50 11.469 1.526 -13.030 354 1HB ASP 50 1HB ASP 50 11.013 0.123 -15.672 355 2HB ASP 50 2HB ASP 50 11.458 1.819 -15.582 356 H ASP 51 H ASP 51 8.464 0.104 -13.312 357 HA ASP 51 HA ASP 51 7.125 2.460 -14.417 358 1HB ASP 51 1HB ASP 51 6.428 0.229 -15.209 359 2HB ASP 51 2HB ASP 51 6.019 -0.228 -13.545 360 H ARG 52 H ARG 52 5.148 3.230 -13.235 361 HA ARG 52 HA ARG 52 5.550 3.193 -10.316 362 1HB ARG 52 1HB ARG 52 5.035 5.651 -12.036 363 2HB ARG 52 2HB ARG 52 4.999 5.633 -10.277 364 1HG ARG 52 1HG ARG 52 7.352 5.094 -10.196 365 2HG ARG 52 2HG ARG 52 7.407 4.964 -11.953 366 1HD ARG 52 1HD ARG 52 6.797 7.473 -10.381 367 2HD ARG 52 2HD ARG 52 8.313 7.105 -11.191 368 HE ARG 52 HE ARG 52 5.902 7.159 -12.811 369 1HH1 ARG 52 1HH1 ARG 52 8.833 8.778 -11.782 370 2HH1 ARG 52 2HH1 ARG 52 8.842 9.880 -13.128 371 1HH2 ARG 52 1HH2 ARG 52 5.902 8.615 -14.590 372 2HH2 ARG 52 2HH2 ARG 52 7.195 9.761 -14.734 373 H TYR 53 H TYR 53 3.751 2.823 -9.240 374 HA TYR 53 HA TYR 53 1.168 2.924 -10.663 375 1HB TYR 53 1HB TYR 53 2.010 1.240 -8.271 376 2HB TYR 53 2HB TYR 53 0.404 1.242 -8.986 377 HD1 TYR 53 HD1 TYR 53 3.963 0.419 -9.691 378 HD2 TYR 53 HD2 TYR 53 -0.107 -0.121 -10.845 379 HE1 TYR 53 HE1 TYR 53 4.631 -1.356 -11.239 380 HE2 TYR 53 HE2 TYR 53 0.555 -1.913 -12.388 381 HH TYR 53 HH TYR 53 2.570 -2.657 -13.609 382 H ARG 54 H ARG 54 -0.669 3.482 -9.267 383 HA ARG 54 HA ARG 54 0.005 5.289 -7.062 384 1HB ARG 54 1HB ARG 54 -1.767 5.921 -9.416 385 2HB ARG 54 2HB ARG 54 -1.717 6.882 -7.946 386 1HG ARG 54 1HG ARG 54 0.493 7.617 -8.368 387 2HG ARG 54 2HG ARG 54 0.753 6.369 -9.591 388 1HD ARG 54 1HD ARG 54 0.370 8.703 -10.469 389 2HD ARG 54 2HD ARG 54 -0.685 7.463 -11.137 390 HE ARG 54 HE ARG 54 -1.659 9.003 -8.876 391 1HH1 ARG 54 1HH1 ARG 54 -1.747 8.365 -12.309 392 2HH1 ARG 54 2HH1 ARG 54 -3.255 9.200 -12.560 393 1HH2 ARG 54 1HH2 ARG 54 -3.653 10.083 -9.187 394 2HH2 ARG 54 2HH2 ARG 54 -4.339 10.149 -10.787 395 H LEU 55 H LEU 55 -0.909 4.282 -5.395 396 HA LEU 55 HA LEU 55 -3.550 3.097 -5.536 397 1HB LEU 55 1HB LEU 55 -1.759 2.073 -4.157 398 2HB LEU 55 2HB LEU 55 -1.723 3.509 -3.164 399 HG LEU 55 HG LEU 55 -4.072 3.060 -2.484 400 1HD1 LEU 55 1HD1 LEU 55 -5.068 0.879 -2.973 401 2HD1 LEU 55 2HD1 LEU 55 -3.712 0.522 -4.045 402 3HD1 LEU 55 3HD1 LEU 55 -4.814 1.844 -4.429 403 1HD2 LEU 55 1HD2 LEU 55 -2.140 0.779 -1.995 404 2HD2 LEU 55 2HD2 LEU 55 -3.543 1.176 -1.006 405 3HD2 LEU 55 3HD2 LEU 55 -2.187 2.309 -1.094 406 H ARG 56 H ARG 56 -5.304 4.380 -5.392 407 HA ARG 56 HA ARG 56 -4.993 6.986 -4.032 408 1HB ARG 56 1HB ARG 56 -5.157 7.186 -6.513 409 2HB ARG 56 2HB ARG 56 -6.719 6.392 -6.463 410 1HG ARG 56 1HG ARG 56 -7.659 8.205 -5.189 411 2HG ARG 56 2HG ARG 56 -6.075 8.963 -5.026 412 1HD ARG 56 1HD ARG 56 -5.989 9.248 -7.486 413 2HD ARG 56 2HD ARG 56 -7.613 8.591 -7.584 414 HE ARG 56 HE ARG 56 -8.432 10.521 -6.403 415 1HH1 ARG 56 1HH1 ARG 56 -5.115 10.723 -7.485 416 2HH1 ARG 56 2HH1 ARG 56 -5.083 12.459 -7.454 417 1HH2 ARG 56 1HH2 ARG 56 -8.368 12.808 -6.317 418 2HH2 ARG 56 2HH2 ARG 56 -6.922 13.637 -6.792 419 H LEU 57 H LEU 57 -6.570 7.646 -2.682 420 HA LEU 57 HA LEU 57 -8.764 5.733 -2.115 421 1HB LEU 57 1HB LEU 57 -7.091 5.817 -0.331 422 2HB LEU 57 2HB LEU 57 -7.259 7.558 -0.217 423 HG LEU 57 HG LEU 57 -9.652 7.215 0.473 424 1HD1 LEU 57 1HD1 LEU 57 -8.807 4.316 0.668 425 2HD1 LEU 57 2HD1 LEU 57 -10.001 4.994 -0.438 426 3HD1 LEU 57 3HD1 LEU 57 -10.310 5.001 1.292 427 1HD2 LEU 57 1HD2 LEU 57 -8.000 7.690 2.159 428 2HD2 LEU 57 2HD2 LEU 57 -7.489 5.999 2.222 429 3HD2 LEU 57 3HD2 LEU 57 -9.100 6.458 2.767 430 H THR 58 H THR 58 -10.791 6.561 -1.745 431 HA THR 58 HA THR 58 -11.286 9.225 -2.816 432 HB THR 58 HB THR 58 -13.677 8.664 -2.565 433 HG1 THR 58 HG1 THR 58 -12.573 6.455 -1.192 434 1HG2 THR 58 1HG2 THR 58 -12.537 7.980 -4.627 435 2HG2 THR 58 2HG2 THR 58 -13.773 6.801 -4.169 436 3HG2 THR 58 3HG2 THR 58 -12.063 6.454 -3.866 437 H SER 59 H SER 59 -13.219 10.363 -1.473 438 HA SER 59 HA SER 59 -11.925 11.347 0.827 439 1HB SER 59 1HB SER 59 -14.830 11.736 0.062 440 2HB SER 59 2HB SER 59 -13.845 12.773 1.085 441 HG SER 59 HG SER 59 -14.016 12.712 -1.614 442 H GLN 60 H GLN 60 -13.934 8.595 0.454 443 HA GLN 60 HA GLN 60 -13.733 7.868 3.192 444 1HB GLN 60 1HB GLN 60 -15.376 9.553 3.633 445 2HB GLN 60 2HB GLN 60 -16.385 9.015 2.292 446 1HG GLN 60 1HG GLN 60 -16.782 6.899 3.505 447 2HG GLN 60 2HG GLN 60 -15.876 7.549 4.863 448 1HE2 GLN 60 2HE2 GLN 60 -16.781 9.246 6.089 449 2HE2 GLN 60 1HE2 GLN 60 -18.457 9.631 5.988 450 H ASN 61 H ASN 61 -15.375 7.481 0.132 451 HA ASN 61 HA ASN 61 -16.848 5.190 0.733 452 1HB ASN 61 1HB ASN 61 -17.252 6.667 -1.233 453 2HB ASN 61 2HB ASN 61 -15.839 6.000 -2.020 454 1HD2 ASN 61 2HD2 ASN 61 -18.668 5.989 -2.805 455 2HD2 ASN 61 1HD2 ASN 61 -19.107 4.332 -3.026 456 H LYS 62 H LYS 62 -14.066 5.148 -1.554 457 HA LYS 62 HA LYS 62 -13.076 2.677 -0.395 458 1HB LYS 62 1HB LYS 62 -13.239 1.487 -2.645 459 2HB LYS 62 2HB LYS 62 -14.744 1.697 -1.771 460 1HG LYS 62 1HG LYS 62 -15.272 2.171 -4.001 461 2HG LYS 62 2HG LYS 62 -15.157 3.738 -3.218 462 1HD LYS 62 1HD LYS 62 -12.867 3.988 -4.129 463 2HD LYS 62 2HD LYS 62 -13.036 2.430 -4.934 464 1HE LYS 62 1HE LYS 62 -14.686 4.907 -5.452 465 2HE LYS 62 2HE LYS 62 -13.432 4.256 -6.501 466 1HZ LYS 62 1HZ LYS 62 -15.891 2.760 -5.778 467 2HZ LYS 62 2HZ LYS 62 -14.731 2.338 -6.931 468 3HZ LYS 62 3HZ LYS 62 -15.723 3.677 -7.182 469 H LEU 63 H LEU 63 -11.419 1.779 -2.322 470 HA LEU 63 HA LEU 63 -9.829 4.068 -3.277 471 1HB LEU 63 1HB LEU 63 -7.744 3.032 -2.558 472 2HB LEU 63 2HB LEU 63 -8.762 3.467 -1.214 473 HG LEU 63 HG LEU 63 -8.636 0.643 -2.270 474 1HD1 LEU 63 1HD1 LEU 63 -7.017 0.171 -0.473 475 2HD1 LEU 63 2HD1 LEU 63 -6.936 1.894 -0.093 476 3HD1 LEU 63 3HD1 LEU 63 -6.361 1.306 -1.655 477 1HD2 LEU 63 1HD2 LEU 63 -10.540 1.198 -0.851 478 2HD2 LEU 63 2HD2 LEU 63 -9.446 1.794 0.397 479 3HD2 LEU 63 3HD2 LEU 63 -9.443 0.083 -0.039 480 H ILE 64 H ILE 64 -8.189 3.354 -4.853 481 HA ILE 64 HA ILE 64 -8.761 0.929 -6.323 482 HB ILE 64 HB ILE 64 -9.087 2.320 -8.494 483 1HG1 ILE 64 1HG1 ILE 64 -10.441 4.462 -7.980 484 2HG1 ILE 64 2HG1 ILE 64 -9.772 4.378 -6.359 485 1HG2 ILE 64 1HG2 ILE 64 -11.541 2.337 -8.198 486 2HG2 ILE 64 2HG2 ILE 64 -11.323 2.115 -6.461 487 3HG2 ILE 64 3HG2 ILE 64 -10.809 0.858 -7.582 488 1HD1 ILE 64 1HD1 ILE 64 -8.137 4.596 -8.892 489 2HD1 ILE 64 2HD1 ILE 64 -7.536 4.634 -7.217 490 3HD1 ILE 64 3HD1 ILE 64 -8.574 5.934 -7.816 491 H LEU 65 H LEU 65 -7.401 0.935 -8.401 492 HA LEU 65 HA LEU 65 -4.744 2.040 -7.747 493 1HB LEU 65 1HB LEU 65 -4.919 -0.435 -7.855 494 2HB LEU 65 2HB LEU 65 -5.476 -0.310 -9.509 495 HG LEU 65 HG LEU 65 -3.302 0.687 -10.155 496 1HD1 LEU 65 1HD1 LEU 65 -2.511 0.027 -7.323 497 2HD1 LEU 65 2HD1 LEU 65 -2.671 1.655 -8.005 498 3HD1 LEU 65 3HD1 LEU 65 -1.417 0.562 -8.597 499 1HD2 LEU 65 1HD2 LEU 65 -2.026 -1.386 -10.030 500 2HD2 LEU 65 2HD2 LEU 65 -3.704 -1.691 -10.454 501 3HD2 LEU 65 3HD2 LEU 65 -3.140 -2.019 -8.813 502 H THR 66 H THR 66 -3.479 2.885 -9.518 503 HA THR 66 HA THR 66 -4.577 3.444 -12.075 504 HB THR 66 HB THR 66 -5.997 5.039 -10.889 505 HG1 THR 66 HG1 THR 66 -5.256 6.990 -11.959 506 1HG2 THR 66 1HG2 THR 66 -4.616 5.355 -8.903 507 2HG2 THR 66 2HG2 THR 66 -5.136 6.882 -9.602 508 3HG2 THR 66 3HG2 THR 66 -3.472 6.317 -9.866 509 H LYS 67 H LYS 67 -3.106 5.285 -13.112 510 HA LYS 67 HA LYS 67 -0.702 6.059 -11.894 511 1HB LYS 67 1HB LYS 67 0.912 4.735 -13.334 512 2HB LYS 67 2HB LYS 67 0.188 3.875 -11.985 513 1HG LYS 67 1HG LYS 67 -1.272 2.655 -13.438 514 2HG LYS 67 2HG LYS 67 -0.803 3.656 -14.817 515 1HD LYS 67 1HD LYS 67 1.477 2.817 -14.694 516 2HD LYS 67 2HD LYS 67 1.073 1.863 -13.265 517 1HE LYS 67 1HE LYS 67 -0.431 0.486 -14.606 518 2HE LYS 67 2HE LYS 67 -0.148 1.526 -16.003 519 1HZ LYS 67 1HZ LYS 67 1.146 -0.618 -15.895 520 2HZ LYS 67 2HZ LYS 67 2.039 0.080 -14.650 521 3HZ LYS 67 3HZ LYS 67 2.050 0.772 -16.180 522 1H MET 1 1H MET 1 -43.272 -36.029 31.848 523 2H MET 1 2H MET 1 -44.076 -35.351 30.524 524 3H MET 1 3H MET 1 -43.086 -34.394 31.499 525 HA MET 1 HA MET 1 -42.158 -36.661 29.850 526 1HB MET 1 1HB MET 1 -41.145 -34.964 28.395 527 2HB MET 1 2HB MET 1 -42.893 -34.761 28.460 528 1HG MET 1 1HG MET 1 -40.868 -33.127 29.995 529 2HG MET 1 2HG MET 1 -41.735 -32.618 28.553 530 1HE MET 1 1HE MET 1 -42.432 -30.382 29.984 531 2HE MET 1 2HE MET 1 -41.571 -31.050 31.371 532 3HE MET 1 3HE MET 1 -43.239 -30.476 31.557 533 H MET 2 H MET 2 -39.884 -36.932 29.813 534 HA MET 2 HA MET 2 -38.628 -36.560 32.318 535 1HB MET 2 1HB MET 2 -37.441 -37.271 29.634 536 2HB MET 2 2HB MET 2 -36.572 -37.387 31.156 537 1HG MET 2 1HG MET 2 -37.340 -39.556 30.519 538 2HG MET 2 2HG MET 2 -38.226 -39.025 31.942 539 1HE MET 2 1HE MET 2 -40.974 -41.136 30.168 540 2HE MET 2 2HE MET 2 -40.171 -40.782 31.698 541 3HE MET 2 3HE MET 2 -39.256 -41.488 30.378 542 H THR 3 H THR 3 -38.088 -34.562 33.045 543 HA THR 3 HA THR 3 -37.545 -32.358 31.321 544 HB THR 3 HB THR 3 -37.060 -32.606 34.300 545 HG1 THR 3 HG1 THR 3 -39.318 -32.881 33.213 546 1HG2 THR 3 1HG2 THR 3 -35.889 -30.696 33.296 547 2HG2 THR 3 2HG2 THR 3 -37.225 -30.167 34.314 548 3HG2 THR 3 3HG2 THR 3 -37.395 -30.153 32.548 549 H ALA 4 H ALA 4 -35.798 -32.836 30.048 550 HA ALA 4 HA ALA 4 -33.197 -32.461 31.228 551 1HB ALA 4 1HB ALA 4 -33.787 -35.052 29.785 552 2HB ALA 4 2HB ALA 4 -33.522 -34.880 31.529 553 3HB ALA 4 3HB ALA 4 -32.212 -34.531 30.377 554 H SER 5 H SER 5 -32.051 -31.229 29.887 555 HA SER 5 HA SER 5 -32.228 -31.508 26.999 556 1HB SER 5 1HB SER 5 -34.081 -29.936 27.618 557 2HB SER 5 2HB SER 5 -32.882 -28.852 28.341 558 HG SER 5 HG SER 5 -33.321 -29.508 25.629 559 H ASP 6 H ASP 6 -30.120 -31.713 26.566 560 HA ASP 6 HA ASP 6 -28.210 -29.906 27.906 561 1HB ASP 6 1HB ASP 6 -26.632 -31.744 28.141 562 2HB ASP 6 2HB ASP 6 -28.141 -32.162 28.946 563 H ARG 7 H ARG 7 -26.290 -29.466 26.791 564 HA ARG 7 HA ARG 7 -25.580 -30.457 24.254 565 1HB ARG 7 1HB ARG 7 -27.547 -29.240 23.448 566 2HB ARG 7 2HB ARG 7 -26.975 -27.758 24.204 567 1HG ARG 7 1HG ARG 7 -25.005 -27.778 22.725 568 2HG ARG 7 2HG ARG 7 -25.623 -29.235 21.955 569 1HD ARG 7 1HD ARG 7 -27.051 -26.580 22.019 570 2HD ARG 7 2HD ARG 7 -26.090 -27.168 20.656 571 HE ARG 7 HE ARG 7 -28.301 -28.872 21.571 572 1HH1 ARG 7 1HH1 ARG 7 -27.126 -26.484 19.273 573 2HH1 ARG 7 2HH1 ARG 7 -28.373 -26.824 18.115 574 1HH2 ARG 7 1HH2 ARG 7 -29.942 -29.265 20.055 575 2HH2 ARG 7 2HH2 ARG 7 -29.959 -28.408 18.554 576 H LEU 8 H LEU 8 -23.624 -30.506 25.393 577 HA LEU 8 HA LEU 8 -22.486 -28.274 26.706 578 1HB LEU 8 1HB LEU 8 -20.382 -29.670 26.651 579 2HB LEU 8 2HB LEU 8 -21.764 -30.361 27.456 580 HG LEU 8 HG LEU 8 -22.184 -31.668 25.266 581 1HD1 LEU 8 1HD1 LEU 8 -20.762 -30.455 23.769 582 2HD1 LEU 8 2HD1 LEU 8 -20.191 -32.116 23.917 583 3HD1 LEU 8 3HD1 LEU 8 -19.339 -30.811 24.750 584 1HD2 LEU 8 1HD2 LEU 8 -20.577 -33.402 25.901 585 2HD2 LEU 8 2HD2 LEU 8 -21.409 -32.716 27.293 586 3HD2 LEU 8 3HD2 LEU 8 -19.743 -32.247 26.947 587 H GLY 9 H GLY 9 -20.916 -26.855 26.098 588 1HA GLY 9 1HA GLY 9 -20.632 -26.428 23.230 589 2HA GLY 9 2HA GLY 9 -20.186 -25.298 24.497 590 H ALA 10 H ALA 10 -19.250 -28.355 22.997 591 HA ALA 10 HA ALA 10 -16.621 -28.291 24.218 592 1HB ALA 10 1HB ALA 10 -16.243 -30.378 23.030 593 2HB ALA 10 2HB ALA 10 -17.726 -30.132 22.113 594 3HB ALA 10 3HB ALA 10 -17.799 -30.418 23.849 595 H ASP 11 H ASP 11 -17.636 -26.247 22.169 596 HA ASP 11 HA ASP 11 -15.713 -26.572 20.002 597 1HB ASP 11 1HB ASP 11 -17.731 -24.402 20.573 598 2HB ASP 11 2HB ASP 11 -16.720 -24.474 19.132 599 HA PRO 12 HA PRO 12 -12.890 -23.874 22.341 600 1HB PRO 12 1HB PRO 12 -10.629 -24.660 21.164 601 2HB PRO 12 2HB PRO 12 -11.468 -25.737 22.282 602 1HG PRO 12 1HG PRO 12 -11.504 -25.743 19.285 603 2HG PRO 12 2HG PRO 12 -11.339 -27.126 20.394 604 1HD PRO 12 1HD PRO 12 -13.710 -26.342 19.191 605 2HD PRO 12 2HD PRO 12 -13.609 -27.260 20.717 606 H THR 13 H THR 13 -14.355 -23.531 19.585 607 HA THR 13 HA THR 13 -13.007 -22.557 17.521 608 HB THR 13 HB THR 13 -15.452 -21.148 18.608 609 HG1 THR 13 HG1 THR 13 -16.636 -22.776 17.650 610 1HG2 THR 13 1HG2 THR 13 -14.410 -20.025 16.691 611 2HG2 THR 13 2HG2 THR 13 -15.970 -20.751 16.243 612 3HG2 THR 13 3HG2 THR 13 -14.449 -21.519 15.781 613 H GLN 14 H GLN 14 -11.110 -21.499 17.853 614 HA GLN 14 HA GLN 14 -11.378 -18.616 18.239 615 1HB GLN 14 1HB GLN 14 -10.638 -19.415 20.455 616 2HB GLN 14 2HB GLN 14 -9.303 -20.278 19.708 617 1HG GLN 14 1HG GLN 14 -8.346 -18.136 18.953 618 2HG GLN 14 2HG GLN 14 -9.687 -17.285 19.733 619 1HE2 GLN 14 2HE2 GLN 14 -9.795 -17.246 21.992 620 2HE2 GLN 14 1HE2 GLN 14 -8.408 -17.543 22.979 621 H ALA 15 H ALA 15 -11.053 -18.278 16.126 622 HA ALA 15 HA ALA 15 -9.028 -19.542 14.578 623 1HB ALA 15 1HB ALA 15 -10.578 -17.004 13.994 624 2HB ALA 15 2HB ALA 15 -11.082 -18.638 13.567 625 3HB ALA 15 3HB ALA 15 -9.635 -17.949 12.831 626 H ALA 16 H ALA 16 -7.315 -19.157 16.163 627 HA ALA 16 HA ALA 16 -6.272 -16.554 16.599 628 1HB ALA 16 1HB ALA 16 -5.855 -18.410 18.166 629 2HB ALA 16 2HB ALA 16 -4.349 -17.709 17.572 630 3HB ALA 16 3HB ALA 16 -4.927 -19.242 16.913 631 H SER 17 H SER 17 -6.268 -15.754 14.449 632 HA SER 17 HA SER 17 -3.961 -16.641 12.854 633 1HB SER 17 1HB SER 17 -6.413 -15.033 12.038 634 2HB SER 17 2HB SER 17 -5.068 -15.447 10.966 635 HG SER 17 HG SER 17 -6.047 -17.645 12.213 636 H SER 18 H SER 18 -2.930 -15.493 14.734 637 HA SER 18 HA SER 18 -3.170 -12.730 15.086 638 1HB SER 18 1HB SER 18 -0.845 -14.513 15.816 639 2HB SER 18 2HB SER 18 -1.188 -12.917 16.499 640 HG SER 18 HG SER 18 -3.383 -14.238 16.835 641 HA PRO 19 HA PRO 19 -0.816 -11.187 11.607 642 1HB PRO 19 1HB PRO 19 -0.378 -8.863 13.424 643 2HB PRO 19 2HB PRO 19 -1.038 -8.891 11.790 644 1HG PRO 19 1HG PRO 19 -2.632 -8.512 13.889 645 2HG PRO 19 2HG PRO 19 -3.161 -9.511 12.507 646 1HD PRO 19 1HD PRO 19 -2.141 -10.368 15.206 647 2HD PRO 19 2HD PRO 19 -3.481 -11.027 14.249 648 H GLY 20 H GLY 20 0.934 -12.630 11.763 649 1HA GLY 20 1HA GLY 20 2.894 -12.392 13.863 650 2HA GLY 20 2HA GLY 20 2.904 -13.531 12.524 651 H GLY 21 H GLY 21 4.457 -10.945 13.825 652 1HA GLY 21 1HA GLY 21 6.469 -10.059 13.060 653 2HA GLY 21 2HA GLY 21 6.104 -10.664 11.449 654 H ALA 22 H ALA 22 5.860 -8.008 13.636 655 HA ALA 22 HA ALA 22 4.333 -6.375 11.777 656 1HB ALA 22 1HB ALA 22 3.940 -6.113 14.194 657 2HB ALA 22 2HB ALA 22 4.551 -4.620 13.479 658 3HB ALA 22 3HB ALA 22 5.635 -5.651 14.412 659 H ARG 23 H ARG 23 5.261 -5.246 10.226 660 HA ARG 23 HA ARG 23 8.176 -4.831 10.323 661 1HB ARG 23 1HB ARG 23 8.299 -5.081 7.910 662 2HB ARG 23 2HB ARG 23 7.500 -6.491 8.598 663 1HG ARG 23 1HG ARG 23 5.343 -5.648 7.914 664 2HG ARG 23 2HG ARG 23 6.088 -4.158 7.309 665 1HD ARG 23 1HD ARG 23 6.601 -6.950 6.261 666 2HD ARG 23 2HD ARG 23 5.606 -5.708 5.492 667 HE ARG 23 HE ARG 23 7.603 -4.444 5.123 668 1HH1 ARG 23 1HH1 ARG 23 8.069 -7.783 6.037 669 2HH1 ARG 23 2HH1 ARG 23 9.722 -7.834 5.481 670 1HH2 ARG 23 1HH2 ARG 23 9.743 -4.512 4.350 671 2HH2 ARG 23 2HH2 ARG 23 10.671 -5.965 4.498 672 H ALA 24 H ALA 24 8.910 -2.813 10.049 673 HA ALA 24 HA ALA 24 6.899 -0.678 9.775 674 1HB ALA 24 1HB ALA 24 9.813 -0.548 10.580 675 2HB ALA 24 2HB ALA 24 8.442 -0.547 11.680 676 3HB ALA 24 3HB ALA 24 8.696 0.801 10.575 677 H VAL 25 H VAL 25 6.553 0.001 7.764 678 HA VAL 25 HA VAL 25 8.776 -0.011 5.824 679 HB VAL 25 HB VAL 25 7.099 -0.039 4.030 680 1HG1 VAL 25 1HG1 VAL 25 6.720 -2.272 6.058 681 2HG1 VAL 25 2HG1 VAL 25 8.019 -2.150 4.875 682 3HG1 VAL 25 3HG1 VAL 25 6.359 -2.360 4.326 683 1HG2 VAL 25 1HG2 VAL 25 5.112 -0.222 6.299 684 2HG2 VAL 25 2HG2 VAL 25 4.720 -0.533 4.612 685 3HG2 VAL 25 3HG2 VAL 25 5.257 1.076 5.113 686 H SER 26 H SER 26 9.310 1.838 4.779 687 HA SER 26 HA SER 26 8.209 4.289 5.954 688 1HB SER 26 1HB SER 26 10.293 5.302 4.848 689 2HB SER 26 2HB SER 26 10.539 4.234 6.214 690 HG SER 26 HG SER 26 10.882 3.646 3.446 691 H ILE 27 H ILE 27 7.618 6.050 4.795 692 HA ILE 27 HA ILE 27 7.069 5.690 1.916 693 HB ILE 27 HB ILE 27 5.307 7.382 3.709 694 1HG1 ILE 27 1HG1 ILE 27 5.205 5.036 4.560 695 2HG1 ILE 27 2HG1 ILE 27 3.672 5.597 3.908 696 1HG2 ILE 27 1HG2 ILE 27 3.680 7.068 1.882 697 2HG2 ILE 27 2HG2 ILE 27 4.896 6.163 0.978 698 3HG2 ILE 27 3HG2 ILE 27 5.163 7.866 1.364 699 1HD1 ILE 27 1HD1 ILE 27 4.092 4.344 1.856 700 2HD1 ILE 27 2HD1 ILE 27 4.142 3.298 3.261 701 3HD1 ILE 27 3HD1 ILE 27 5.642 3.801 2.492 702 H VAL 28 H VAL 28 7.944 7.289 0.698 703 HA VAL 28 HA VAL 28 9.196 9.523 2.163 704 HB VAL 28 HB VAL 28 10.575 9.842 0.126 705 1HG1 VAL 28 1HG1 VAL 28 11.400 8.560 2.024 706 2HG1 VAL 28 2HG1 VAL 28 12.029 7.904 0.509 707 3HG1 VAL 28 3HG1 VAL 28 10.702 7.089 1.349 708 1HG2 VAL 28 1HG2 VAL 28 10.692 8.069 -1.561 709 2HG2 VAL 28 2HG2 VAL 28 9.105 8.840 -1.559 710 3HG2 VAL 28 3HG2 VAL 28 9.322 7.257 -0.796 711 H GLY 29 H GLY 29 7.607 11.004 2.353 712 1HA GLY 29 1HA GLY 29 6.376 12.845 1.638 713 2HA GLY 29 2HA GLY 29 6.731 12.410 -0.037 714 H ASN 30 H ASN 30 5.648 10.421 -0.834 715 HA ASN 30 HA ASN 30 3.474 9.275 0.642 716 1HB ASN 30 1HB ASN 30 1.650 9.871 -0.821 717 2HB ASN 30 2HB ASN 30 2.410 11.369 -0.256 718 1HD2 ASN 30 2HD2 ASN 30 0.749 10.771 -2.620 719 2HD2 ASN 30 1HD2 ASN 30 1.700 11.285 -3.986 720 H GLN 31 H GLN 31 5.983 8.615 -0.899 721 HA GLN 31 HA GLN 31 4.846 6.685 -2.821 722 1HB GLN 31 1HB GLN 31 6.047 8.416 -4.010 723 2HB GLN 31 2HB GLN 31 7.472 8.169 -3.007 724 1HG GLN 31 1HG GLN 31 7.749 5.913 -3.912 725 2HG GLN 31 2HG GLN 31 6.297 6.112 -4.893 726 1HE2 GLN 31 2HE2 GLN 31 9.038 5.516 -5.717 727 2HE2 GLN 31 1HE2 GLN 31 9.470 6.763 -6.839 728 H ILE 32 H ILE 32 5.074 4.657 -2.109 729 HA ILE 32 HA ILE 32 7.630 3.886 -0.834 730 HB ILE 32 HB ILE 32 5.637 3.518 0.597 731 1HG1 ILE 32 1HG1 ILE 32 6.901 0.945 -0.390 732 2HG1 ILE 32 2HG1 ILE 32 7.613 2.043 0.774 733 1HG2 ILE 32 1HG2 ILE 32 3.976 1.839 0.005 734 2HG2 ILE 32 2HG2 ILE 32 4.760 1.615 -1.559 735 3HG2 ILE 32 3HG2 ILE 32 3.990 3.151 -1.179 736 1HD1 ILE 32 1HD1 ILE 32 6.629 0.118 1.874 737 2HD1 ILE 32 2HD1 ILE 32 5.056 0.487 1.152 738 3HD1 ILE 32 3HD1 ILE 32 5.782 1.593 2.331 739 H ASP 33 H ASP 33 8.551 1.874 -1.467 740 HA ASP 33 HA ASP 33 8.021 1.203 -4.274 741 1HB ASP 33 1HB ASP 33 10.361 1.540 -3.244 742 2HB ASP 33 2HB ASP 33 10.156 -0.054 -2.514 743 H SER 34 H SER 34 7.430 -0.819 -4.981 744 HA SER 34 HA SER 34 5.628 -2.283 -3.350 745 1HB SER 34 1HB SER 34 5.426 -2.182 -5.811 746 2HB SER 34 2HB SER 34 6.936 -3.077 -5.972 747 HG SER 34 HG SER 34 5.349 -4.484 -4.373 748 H ARG 35 H ARG 35 9.019 -2.444 -3.767 749 HA ARG 35 HA ARG 35 9.478 -5.171 -3.119 750 1HB ARG 35 1HB ARG 35 11.246 -2.741 -2.856 751 2HB ARG 35 2HB ARG 35 11.792 -4.381 -2.500 752 1HG ARG 35 1HG ARG 35 10.780 -3.372 -5.177 753 2HG ARG 35 2HG ARG 35 12.470 -3.662 -4.743 754 1HD ARG 35 1HD ARG 35 11.990 -6.023 -4.399 755 2HD ARG 35 2HD ARG 35 10.300 -5.761 -4.796 756 HE ARG 35 HE ARG 35 11.847 -4.822 -6.928 757 1HH1 ARG 35 1HH1 ARG 35 11.108 -7.844 -5.347 758 2HH1 ARG 35 2HH1 ARG 35 11.217 -8.798 -6.792 759 1HH2 ARG 35 1HH2 ARG 35 12.036 -6.057 -8.844 760 2HH2 ARG 35 2HH2 ARG 35 11.801 -7.768 -8.795 761 H GLU 36 H GLU 36 9.325 -2.222 -1.178 762 HA GLU 36 HA GLU 36 10.243 -3.303 1.234 763 1HB GLU 36 1HB GLU 36 8.258 -1.060 0.890 764 2HB GLU 36 2HB GLU 36 9.218 -1.371 2.322 765 1HG GLU 36 1HG GLU 36 10.268 -0.525 -0.386 766 2HG GLU 36 2HG GLU 36 10.181 0.472 1.075 767 H LEU 37 H LEU 37 7.004 -3.135 -0.088 768 HA LEU 37 HA LEU 37 5.729 -4.231 2.232 769 1HB LEU 37 1HB LEU 37 4.763 -3.940 -0.617 770 2HB LEU 37 2HB LEU 37 3.758 -4.470 0.740 771 HG LEU 37 HG LEU 37 5.081 -1.753 0.468 772 1HD1 LEU 37 1HD1 LEU 37 2.182 -2.597 0.165 773 2HD1 LEU 37 2HD1 LEU 37 3.254 -2.052 -1.135 774 3HD1 LEU 37 3HD1 LEU 37 2.786 -0.937 0.142 775 1HD2 LEU 37 1HD2 LEU 37 3.158 -2.812 2.542 776 2HD2 LEU 37 2HD2 LEU 37 3.744 -1.155 2.439 777 3HD2 LEU 37 3HD2 LEU 37 4.860 -2.477 2.803 778 H PHE 38 H PHE 38 6.601 -5.560 -0.965 779 HA PHE 38 HA PHE 38 5.616 -8.199 -0.089 780 1HB PHE 38 1HB PHE 38 6.255 -7.195 -2.880 781 2HB PHE 38 2HB PHE 38 5.554 -8.773 -2.487 782 HD1 PHE 38 HD1 PHE 38 3.252 -8.876 -1.531 783 HD2 PHE 38 HD2 PHE 38 4.909 -5.241 -2.991 784 HE1 PHE 38 HE1 PHE 38 0.997 -7.916 -1.708 785 HE2 PHE 38 HE2 PHE 38 2.653 -4.277 -3.159 786 HZ PHE 38 HZ PHE 38 0.705 -5.622 -2.502 787 H THR 39 H THR 39 8.435 -6.911 0.383 788 HA THR 39 HA THR 39 10.304 -8.443 -1.028 789 HB THR 39 HB THR 39 10.976 -6.492 0.293 790 HG1 THR 39 HG1 THR 39 12.722 -7.729 0.020 791 1HG2 THR 39 1HG2 THR 39 10.359 -8.212 2.707 792 2HG2 THR 39 2HG2 THR 39 9.498 -6.743 2.204 793 3HG2 THR 39 3HG2 THR 39 11.176 -6.642 2.740 794 H VAL 40 H VAL 40 8.515 -9.110 1.934 795 HA VAL 40 HA VAL 40 9.235 -11.948 1.655 796 HB VAL 40 HB VAL 40 9.086 -10.491 4.309 797 1HG1 VAL 40 1HG1 VAL 40 9.874 -12.623 5.276 798 2HG1 VAL 40 2HG1 VAL 40 9.737 -13.381 3.697 799 3HG1 VAL 40 3HG1 VAL 40 8.299 -12.780 4.520 800 1HG2 VAL 40 1HG2 VAL 40 11.490 -11.694 2.940 801 2HG2 VAL 40 2HG2 VAL 40 11.465 -10.874 4.506 802 3HG2 VAL 40 3HG2 VAL 40 11.134 -9.970 3.024 803 H ASP 41 H ASP 41 7.124 -11.746 0.481 804 HA ASP 41 HA ASP 41 5.068 -13.007 1.621 805 1HB ASP 41 1HB ASP 41 4.925 -10.724 3.014 806 2HB ASP 41 2HB ASP 41 4.114 -10.137 1.556 807 H ARG 42 H ARG 42 2.980 -12.635 0.184 808 HA ARG 42 HA ARG 42 3.873 -11.759 -2.499 809 1HB ARG 42 1HB ARG 42 3.481 -14.265 -2.112 810 2HB ARG 42 2HB ARG 42 1.778 -13.866 -1.925 811 1HG ARG 42 1HG ARG 42 2.037 -14.607 -4.137 812 2HG ARG 42 2HG ARG 42 1.859 -12.851 -4.227 813 1HD ARG 42 1HD ARG 42 4.573 -14.173 -4.206 814 2HD ARG 42 2HD ARG 42 3.661 -13.935 -5.693 815 HE ARG 42 HE ARG 42 3.692 -11.480 -5.053 816 1HH1 ARG 42 1HH1 ARG 42 6.255 -13.676 -4.058 817 2HH1 ARG 42 2HH1 ARG 42 7.454 -12.415 -4.068 818 1HH2 ARG 42 1HH2 ARG 42 5.295 -9.871 -5.090 819 2HH2 ARG 42 2HH2 ARG 42 6.921 -10.288 -4.641 820 H GLU 43 H GLU 43 1.726 -11.186 0.031 821 HA GLU 43 HA GLU 43 0.018 -9.510 -1.619 822 1HB GLU 43 1HB GLU 43 -1.048 -11.701 -1.744 823 2HB GLU 43 2HB GLU 43 -1.064 -11.838 0.013 824 1HG GLU 43 1HG GLU 43 -2.567 -9.851 0.102 825 2HG GLU 43 2HG GLU 43 -2.634 -9.858 -1.674 826 H ILE 44 H ILE 44 -0.963 -7.881 -0.462 827 HA ILE 44 HA ILE 44 -0.432 -7.740 2.433 828 HB ILE 44 HB ILE 44 -0.225 -5.463 0.414 829 1HG1 ILE 44 1HG1 ILE 44 1.757 -6.948 0.535 830 2HG1 ILE 44 2HG1 ILE 44 2.120 -5.343 1.101 831 1HG2 ILE 44 1HG2 ILE 44 0.303 -4.003 2.289 832 2HG2 ILE 44 2HG2 ILE 44 0.033 -5.324 3.423 833 3HG2 ILE 44 3HG2 ILE 44 -1.311 -4.687 2.467 834 1HD1 ILE 44 1HD1 ILE 44 1.986 -6.140 3.401 835 2HD1 ILE 44 2HD1 ILE 44 3.183 -7.039 2.464 836 3HD1 ILE 44 3HD1 ILE 44 1.624 -7.759 2.820 837 H VAL 45 H VAL 45 -2.089 -6.978 3.670 838 HA VAL 45 HA VAL 45 -4.691 -6.724 2.317 839 HB VAL 45 HB VAL 45 -4.109 -7.274 5.254 840 1HG1 VAL 45 1HG1 VAL 45 -6.497 -7.878 5.351 841 2HG1 VAL 45 2HG1 VAL 45 -6.694 -7.405 3.665 842 3HG1 VAL 45 3HG1 VAL 45 -6.283 -6.198 4.880 843 1HG2 VAL 45 1HG2 VAL 45 -4.795 -9.593 4.758 844 2HG2 VAL 45 2HG2 VAL 45 -3.342 -9.123 3.867 845 3HG2 VAL 45 3HG2 VAL 45 -4.900 -9.177 3.043 846 H ILE 46 H ILE 46 -6.048 -5.021 2.780 847 HA ILE 46 HA ILE 46 -4.919 -2.724 4.211 848 HB ILE 46 HB ILE 46 -6.133 -2.575 1.435 849 1HG1 ILE 46 1HG1 ILE 46 -3.317 -2.008 2.385 850 2HG1 ILE 46 2HG1 ILE 46 -3.808 -3.413 1.453 851 1HG2 ILE 46 1HG2 ILE 46 -5.075 -0.347 3.192 852 2HG2 ILE 46 2HG2 ILE 46 -6.774 -0.646 2.817 853 3HG2 ILE 46 3HG2 ILE 46 -5.671 -0.177 1.529 854 1HD1 ILE 46 1HD1 ILE 46 -2.713 -1.722 0.072 855 2HD1 ILE 46 2HD1 ILE 46 -3.962 -0.550 0.497 856 3HD1 ILE 46 3HD1 ILE 46 -4.386 -1.989 -0.433 857 H ALA 47 H ALA 47 -6.386 -2.597 5.870 858 HA ALA 47 HA ALA 47 -9.195 -3.191 5.409 859 1HB ALA 47 1HB ALA 47 -8.096 -3.990 7.460 860 2HB ALA 47 2HB ALA 47 -9.422 -2.881 7.825 861 3HB ALA 47 3HB ALA 47 -7.763 -2.315 7.921 862 H HIS 48 H HIS 48 -10.832 -1.728 5.293 863 HA HIS 48 HA HIS 48 -10.293 1.098 5.836 864 1HB HIS 48 1HB HIS 48 -9.694 0.865 3.513 865 2HB HIS 48 2HB HIS 48 -11.190 0.005 3.167 866 HD1 HIS 48 HD1 HIS 48 -10.054 3.451 4.289 867 HD2 HIS 48 HD2 HIS 48 -13.238 1.621 2.334 868 HE1 HIS 48 HE1 HIS 48 -11.543 5.326 3.532 869 HE2 HIS 48 HE2 HIS 48 -13.582 4.176 2.596 870 H GLY 49 H GLY 49 -11.825 1.103 7.512 871 1HA GLY 49 1HA GLY 49 -13.960 1.845 8.074 872 2HA GLY 49 2HA GLY 49 -14.586 1.188 6.553 873 H ASP 50 H ASP 50 -15.504 -0.809 6.585 874 HA ASP 50 HA ASP 50 -14.835 -2.605 8.823 875 1HB ASP 50 1HB ASP 50 -17.096 -3.541 8.726 876 2HB ASP 50 2HB ASP 50 -17.155 -1.813 9.050 877 H ASP 51 H ASP 51 -14.674 -2.007 5.533 878 HA ASP 51 HA ASP 51 -14.819 -4.816 4.738 879 1HB ASP 51 1HB ASP 51 -15.841 -2.977 3.321 880 2HB ASP 51 2HB ASP 51 -14.207 -2.370 3.028 881 H ARG 52 H ARG 52 -13.028 -5.642 3.289 882 HA ARG 52 HA ARG 52 -10.410 -4.678 4.199 883 1HB ARG 52 1HB ARG 52 -11.374 -7.550 4.155 884 2HB ARG 52 2HB ARG 52 -9.681 -7.085 4.338 885 1HG ARG 52 1HG ARG 52 -10.240 -5.887 6.423 886 2HG ARG 52 2HG ARG 52 -11.938 -6.394 6.221 887 1HD ARG 52 1HD ARG 52 -9.594 -8.302 6.468 888 2HD ARG 52 2HD ARG 52 -10.626 -7.812 7.818 889 HE ARG 52 HE ARG 52 -11.863 -9.067 5.472 890 1HH1 ARG 52 1HH1 ARG 52 -10.967 -9.256 8.856 891 2HH1 ARG 52 2HH1 ARG 52 -11.876 -10.692 9.155 892 1HH2 ARG 52 1HH2 ARG 52 -13.072 -10.959 5.846 893 2HH2 ARG 52 2HH2 ARG 52 -13.091 -11.671 7.429 894 H TYR 53 H TYR 53 -9.016 -4.422 2.617 895 HA TYR 53 HA TYR 53 -9.684 -5.495 -0.047 896 1HB TYR 53 1HB TYR 53 -8.033 -3.059 0.728 897 2HB TYR 53 2HB TYR 53 -8.265 -3.638 -0.919 898 HD1 TYR 53 HD1 TYR 53 -10.070 -2.244 2.022 899 HD2 TYR 53 HD2 TYR 53 -10.179 -3.034 -2.167 900 HE1 TYR 53 HE1 TYR 53 -12.117 -0.886 1.820 901 HE2 TYR 53 HE2 TYR 53 -12.223 -1.661 -2.367 902 HH TYR 53 HH TYR 53 -14.094 -0.916 -0.905 903 H ARG 54 H ARG 54 -7.768 -6.013 -1.417 904 HA ARG 54 HA ARG 54 -5.464 -6.923 0.176 905 1HB ARG 54 1HB ARG 54 -7.095 -8.591 -1.739 906 2HB ARG 54 2HB ARG 54 -5.516 -9.060 -1.156 907 1HG ARG 54 1HG ARG 54 -6.281 -9.332 1.038 908 2HG ARG 54 2HG ARG 54 -7.769 -8.434 0.719 909 1HD ARG 54 1HD ARG 54 -8.087 -10.917 0.889 910 2HD ARG 54 2HD ARG 54 -8.626 -10.212 -0.643 911 HE ARG 54 HE ARG 54 -5.943 -11.383 -0.494 912 1HH1 ARG 54 1HH1 ARG 54 -9.250 -11.597 -1.654 913 2HH1 ARG 54 2HH1 ARG 54 -8.861 -12.769 -2.873 914 1HH2 ARG 54 1HH2 ARG 54 -5.451 -12.940 -2.066 915 2HH2 ARG 54 2HH2 ARG 54 -6.723 -13.590 -3.061 916 H LEU 55 H LEU 55 -3.875 -5.750 -0.657 917 HA LEU 55 HA LEU 55 -3.629 -5.262 -3.524 918 1HB LEU 55 1HB LEU 55 -3.053 -3.500 -1.860 919 2HB LEU 55 2HB LEU 55 -1.781 -4.543 -1.220 920 HG LEU 55 HG LEU 55 -0.607 -4.431 -3.424 921 1HD1 LEU 55 1HD1 LEU 55 -1.309 -2.848 -5.115 922 2HD1 LEU 55 2HD1 LEU 55 -2.731 -2.435 -4.160 923 3HD1 LEU 55 3HD1 LEU 55 -2.566 -4.065 -4.839 924 1HD2 LEU 55 1HD2 LEU 55 -0.035 -2.849 -1.628 925 2HD2 LEU 55 2HD2 LEU 55 -1.222 -1.717 -2.245 926 3HD2 LEU 55 3HD2 LEU 55 0.179 -2.149 -3.223 927 H ARG 56 H ARG 56 -2.754 -6.779 -4.772 928 HA ARG 56 HA ARG 56 -0.982 -8.785 -3.505 929 1HB ARG 56 1HB ARG 56 -3.246 -9.645 -4.088 930 2HB ARG 56 2HB ARG 56 -2.933 -9.282 -5.776 931 1HG ARG 56 1HG ARG 56 -1.112 -10.894 -5.799 932 2HG ARG 56 2HG ARG 56 -1.356 -11.224 -4.076 933 1HD ARG 56 1HD ARG 56 -3.640 -11.999 -4.594 934 2HD ARG 56 2HD ARG 56 -3.323 -11.724 -6.308 935 HE ARG 56 HE ARG 56 -1.336 -13.430 -5.355 936 1HH1 ARG 56 1HH1 ARG 56 -4.818 -13.496 -5.817 937 2HH1 ARG 56 2HH1 ARG 56 -4.867 -15.231 -6.013 938 1HH2 ARG 56 1HH2 ARG 56 -1.414 -15.681 -5.598 939 2HH2 ARG 56 2HH2 ARG 56 -2.939 -16.466 -5.906 940 H LEU 57 H LEU 57 0.845 -9.354 -4.549 941 HA LEU 57 HA LEU 57 1.495 -7.872 -7.040 942 1HB LEU 57 1HB LEU 57 2.781 -7.084 -5.095 943 2HB LEU 57 2HB LEU 57 3.332 -8.711 -4.772 944 HG LEU 57 HG LEU 57 4.529 -8.709 -6.960 945 1HD1 LEU 57 1HD1 LEU 57 3.185 -7.040 -8.133 946 2HD1 LEU 57 2HD1 LEU 57 4.878 -6.592 -8.121 947 3HD1 LEU 57 3HD1 LEU 57 3.759 -5.789 -7.029 948 1HD2 LEU 57 1HD2 LEU 57 5.263 -6.485 -5.053 949 2HD2 LEU 57 2HD2 LEU 57 6.352 -7.217 -6.236 950 3HD2 LEU 57 3HD2 LEU 57 5.717 -8.188 -4.910 951 H THR 58 H THR 58 2.554 -8.995 -8.671 952 HA THR 58 HA THR 58 2.288 -11.867 -8.572 953 HB THR 58 HB THR 58 2.850 -11.881 -10.924 954 HG1 THR 58 HG1 THR 58 3.850 -10.280 -11.871 955 1HG2 THR 58 1HG2 THR 58 1.052 -10.437 -11.819 956 2HG2 THR 58 2HG2 THR 58 0.987 -9.579 -10.277 957 3HG2 THR 58 3HG2 THR 58 0.535 -11.286 -10.355 958 H SER 59 H SER 59 4.297 -12.981 -9.842 959 HA SER 59 HA SER 59 6.368 -12.964 -7.913 960 1HB SER 59 1HB SER 59 6.311 -14.231 -10.673 961 2HB SER 59 2HB SER 59 7.419 -14.636 -9.352 962 HG SER 59 HG SER 59 5.618 -16.048 -9.445 963 H GLN 60 H GLN 60 5.874 -10.945 -10.616 964 HA GLN 60 HA GLN 60 8.208 -9.462 -10.145 965 1HB GLN 60 1HB GLN 60 9.468 -9.906 -12.243 966 2HB GLN 60 2HB GLN 60 9.411 -11.282 -11.162 967 1HG GLN 60 1HG GLN 60 7.755 -12.381 -12.512 968 2HG GLN 60 2HG GLN 60 7.594 -10.932 -13.512 969 1HE2 GLN 60 2HE2 GLN 60 9.176 -10.405 -14.994 970 2HE2 GLN 60 1HE2 GLN 60 10.387 -11.550 -15.500 971 H ASN 61 H ASN 61 5.673 -10.315 -12.377 972 HA ASN 61 HA ASN 61 6.098 -8.323 -14.280 973 1HB ASN 61 1HB ASN 61 4.679 -10.379 -14.579 974 2HB ASN 61 2HB ASN 61 3.404 -9.552 -13.690 975 1HD2 ASN 61 2HD2 ASN 61 5.289 -9.619 -16.638 976 2HD2 ASN 61 1HD2 ASN 61 4.263 -8.577 -17.556 977 H LYS 62 H LYS 62 3.235 -8.330 -12.078 978 HA LYS 62 HA LYS 62 3.542 -5.484 -11.632 979 1HB LYS 62 1HB LYS 62 1.243 -4.983 -12.550 980 2HB LYS 62 2HB LYS 62 2.464 -5.351 -13.757 981 1HG LYS 62 1HG LYS 62 0.571 -6.483 -14.514 982 2HG LYS 62 2HG LYS 62 1.534 -7.737 -13.724 983 1HD LYS 62 1HD LYS 62 0.125 -7.572 -11.738 984 2HD LYS 62 2HD LYS 62 -0.810 -6.287 -12.476 985 1HE LYS 62 1HE LYS 62 -0.598 -9.129 -13.457 986 2HE LYS 62 2HE LYS 62 -1.982 -8.415 -12.618 987 1HZ LYS 62 1HZ LYS 62 -0.947 -7.668 -15.294 988 2HZ LYS 62 2HZ LYS 62 -2.202 -6.854 -14.499 989 3HZ LYS 62 3HZ LYS 62 -2.397 -8.468 -14.964 990 H LEU 63 H LEU 63 1.088 -4.826 -10.677 991 HA LEU 63 HA LEU 63 0.299 -6.910 -8.774 992 1HB LEU 63 1HB LEU 63 0.172 -5.228 -6.944 993 2HB LEU 63 2HB LEU 63 1.807 -5.573 -7.453 994 HG LEU 63 HG LEU 63 0.303 -3.147 -8.419 995 1HD1 LEU 63 1HD1 LEU 63 0.360 -3.062 -5.992 996 2HD1 LEU 63 2HD1 LEU 63 1.453 -1.865 -6.679 997 3HD1 LEU 63 3HD1 LEU 63 2.101 -3.362 -5.989 998 1HD2 LEU 63 1HD2 LEU 63 2.542 -2.302 -8.878 999 2HD2 LEU 63 2HD2 LEU 63 2.271 -3.822 -9.716 1000 3HD2 LEU 63 3HD2 LEU 63 3.254 -3.785 -8.248 1001 H ILE 64 H ILE 64 -1.750 -6.320 -7.682 1002 HA ILE 64 HA ILE 64 -3.538 -4.584 -9.161 1003 HB ILE 64 HB ILE 64 -5.169 -6.545 -9.509 1004 1HG1 ILE 64 1HG1 ILE 64 -3.931 -8.708 -10.107 1005 2HG1 ILE 64 2HG1 ILE 64 -2.554 -8.064 -9.221 1006 1HG2 ILE 64 1HG2 ILE 64 -2.738 -6.307 -11.262 1007 2HG2 ILE 64 2HG2 ILE 64 -4.184 -5.289 -11.328 1008 3HG2 ILE 64 3HG2 ILE 64 -4.281 -7.002 -11.724 1009 1HD1 ILE 64 1HD1 ILE 64 -3.851 -9.639 -7.888 1010 2HD1 ILE 64 2HD1 ILE 64 -5.273 -8.607 -8.050 1011 3HD1 ILE 64 3HD1 ILE 64 -3.861 -8.019 -7.174 1012 H LEU 65 H LEU 65 -5.842 -4.863 -8.265 1013 HA LEU 65 HA LEU 65 -5.642 -5.144 -5.338 1014 1HB LEU 65 1HB LEU 65 -6.273 -2.904 -6.280 1015 2HB LEU 65 2HB LEU 65 -7.729 -3.643 -6.942 1016 HG LEU 65 HG LEU 65 -8.528 -4.128 -4.668 1017 1HD1 LEU 65 1HD1 LEU 65 -6.000 -2.757 -3.741 1018 2HD1 LEU 65 2HD1 LEU 65 -6.386 -4.469 -3.552 1019 3HD1 LEU 65 3HD1 LEU 65 -7.347 -3.247 -2.713 1020 1HD2 LEU 65 1HD2 LEU 65 -9.123 -2.006 -5.700 1021 2HD2 LEU 65 2HD2 LEU 65 -7.659 -1.272 -5.062 1022 3HD2 LEU 65 3HD2 LEU 65 -8.934 -1.811 -3.956 1023 H THR 66 H THR 66 -7.417 -6.154 -4.237 1024 HA THR 66 HA THR 66 -9.435 -7.615 -5.580 1025 HB THR 66 HB THR 66 -7.473 -9.024 -6.228 1026 HG1 THR 66 HG1 THR 66 -9.354 -10.128 -6.183 1027 1HG2 THR 66 1HG2 THR 66 -7.274 -9.650 -3.291 1028 2HG2 THR 66 2HG2 THR 66 -6.124 -8.686 -4.192 1029 3HG2 THR 66 3HG2 THR 66 -6.340 -10.389 -4.585 1030 H LYS 67 H LYS 67 -10.350 -9.342 -3.920 1031 HA LYS 67 HA LYS 67 -9.657 -9.249 -1.244 1032 1HB LYS 67 1HB LYS 67 -11.480 -7.945 -0.236 1033 2HB LYS 67 2HB LYS 67 -10.374 -6.965 -1.161 1034 1HG LYS 67 1HG LYS 67 -12.095 -7.106 -3.051 1035 2HG LYS 67 2HG LYS 67 -13.206 -7.703 -1.810 1036 1HD LYS 67 1HD LYS 67 -12.546 -5.644 -0.453 1037 2HD LYS 67 2HD LYS 67 -11.793 -5.040 -1.937 1038 1HE LYS 67 1HE LYS 67 -13.892 -4.060 -1.980 1039 2HE LYS 67 2HE LYS 67 -14.113 -5.477 -2.998 1040 1HZ LYS 67 1HZ LYS 67 -14.869 -5.239 -0.137 1041 2HZ LYS 67 2HZ LYS 67 -15.056 -6.636 -1.072 1042 3HZ LYS 67 3HZ LYS 67 -15.943 -5.241 -1.458 Start of MODEL 4 1 1H MET 1 1H MET 1 41.717 58.585 -2.063 2 2H MET 1 2H MET 1 40.753 57.471 -2.881 3 3H MET 1 3H MET 1 41.591 57.000 -1.494 4 HA MET 1 HA MET 1 40.254 58.515 -0.159 5 1HB MET 1 1HB MET 1 39.833 60.175 -1.930 6 2HB MET 1 2HB MET 1 38.843 59.002 -2.791 7 1HG MET 1 1HG MET 1 37.286 58.962 -0.857 8 2HG MET 1 2HG MET 1 38.248 60.237 -0.107 9 1HE MET 1 1HE MET 1 35.020 62.165 -1.226 10 2HE MET 1 2HE MET 1 36.082 61.736 0.130 11 3HE MET 1 3HE MET 1 35.087 60.492 -0.659 12 H MET 2 H MET 2 38.701 57.442 0.999 13 HA MET 2 HA MET 2 37.957 54.815 0.229 14 1HB MET 2 1HB MET 2 38.151 55.344 2.566 15 2HB MET 2 2HB MET 2 36.939 56.608 2.447 16 1HG MET 2 1HG MET 2 36.013 54.601 3.513 17 2HG MET 2 2HG MET 2 35.216 54.933 1.980 18 1HE MET 2 1HE MET 2 34.841 52.223 3.390 19 2HE MET 2 2HE MET 2 35.134 51.045 2.105 20 3HE MET 2 3HE MET 2 34.192 52.509 1.782 21 H THR 3 H THR 3 36.725 54.633 -1.557 22 HA THR 3 HA THR 3 34.499 56.359 -2.130 23 HB THR 3 HB THR 3 35.258 53.755 -3.454 24 HG1 THR 3 HG1 THR 3 36.935 54.913 -4.074 25 1HG2 THR 3 1HG2 THR 3 33.564 56.060 -4.425 26 2HG2 THR 3 2HG2 THR 3 32.968 54.470 -3.960 27 3HG2 THR 3 3HG2 THR 3 34.017 54.646 -5.372 28 H ALA 4 H ALA 4 32.820 56.227 -0.789 29 HA ALA 4 HA ALA 4 32.074 53.817 0.543 30 1HB ALA 4 1HB ALA 4 31.740 55.996 1.588 31 2HB ALA 4 2HB ALA 4 30.231 55.095 1.474 32 3HB ALA 4 3HB ALA 4 30.545 56.408 0.343 33 H SER 5 H SER 5 31.466 55.030 -2.527 34 HA SER 5 HA SER 5 28.861 54.089 -3.039 35 1HB SER 5 1HB SER 5 31.135 54.285 -5.033 36 2HB SER 5 2HB SER 5 29.410 54.409 -5.376 37 HG SER 5 HG SER 5 29.941 56.248 -3.562 38 H ASP 6 H ASP 6 28.503 52.012 -2.312 39 HA ASP 6 HA ASP 6 30.122 49.861 -3.552 40 1HB ASP 6 1HB ASP 6 30.480 50.181 -1.065 41 2HB ASP 6 2HB ASP 6 28.798 49.732 -0.839 42 H ARG 7 H ARG 7 28.911 47.761 -3.664 43 HA ARG 7 HA ARG 7 26.358 48.271 -4.941 44 1HB ARG 7 1HB ARG 7 28.074 45.807 -4.592 45 2HB ARG 7 2HB ARG 7 26.432 45.662 -5.173 46 1HG ARG 7 1HG ARG 7 27.992 45.706 -7.038 47 2HG ARG 7 2HG ARG 7 26.974 47.147 -7.063 48 1HD ARG 7 1HD ARG 7 28.775 48.467 -6.110 49 2HD ARG 7 2HD ARG 7 29.782 47.017 -5.957 50 HE ARG 7 HE ARG 7 29.010 47.315 -8.643 51 1HH1 ARG 7 1HH1 ARG 7 31.046 48.917 -6.290 52 2HH1 ARG 7 2HH1 ARG 7 32.117 49.574 -7.482 53 1HH2 ARG 7 1HH2 ARG 7 30.434 48.154 -10.208 54 2HH2 ARG 7 2HH2 ARG 7 31.781 49.128 -9.707 55 H LEU 8 H LEU 8 27.396 47.407 -1.825 56 HA LEU 8 HA LEU 8 26.357 46.869 0.107 57 1HB LEU 8 1HB LEU 8 23.794 47.291 -1.436 58 2HB LEU 8 2HB LEU 8 23.898 47.073 0.294 59 HG LEU 8 HG LEU 8 24.963 49.409 -1.298 60 1HD1 LEU 8 1HD1 LEU 8 23.332 50.688 0.020 61 2HD1 LEU 8 2HD1 LEU 8 22.737 49.197 0.724 62 3HD1 LEU 8 3HD1 LEU 8 22.561 49.484 -1.000 63 1HD2 LEU 8 1HD2 LEU 8 26.490 48.931 0.514 64 2HD2 LEU 8 2HD2 LEU 8 25.148 48.875 1.664 65 3HD2 LEU 8 3HD2 LEU 8 25.574 50.390 0.873 66 H GLY 9 H GLY 9 24.138 45.461 -2.297 67 1HA GLY 9 1HA GLY 9 23.417 43.292 -2.589 68 2HA GLY 9 2HA GLY 9 24.980 42.784 -1.954 69 H ALA 10 H ALA 10 22.396 44.657 -0.447 70 HA ALA 10 HA ALA 10 22.493 42.838 1.868 71 1HB ALA 10 1HB ALA 10 21.522 44.707 3.152 72 2HB ALA 10 2HB ALA 10 21.482 45.680 1.674 73 3HB ALA 10 3HB ALA 10 23.026 45.161 2.344 74 H ASP 11 H ASP 11 20.755 43.004 -0.816 75 HA ASP 11 HA ASP 11 18.076 43.099 -0.002 76 1HB ASP 11 1HB ASP 11 19.373 41.611 -2.310 77 2HB ASP 11 2HB ASP 11 17.634 41.787 -2.097 78 HA PRO 12 HA PRO 12 17.917 39.482 2.557 79 1HB PRO 12 1HB PRO 12 15.014 39.590 1.952 80 2HB PRO 12 2HB PRO 12 15.855 39.558 3.511 81 1HG PRO 12 1HG PRO 12 14.777 41.835 2.616 82 2HG PRO 12 2HG PRO 12 16.351 41.839 3.445 83 1HD PRO 12 1HD PRO 12 15.744 41.987 0.500 84 2HD PRO 12 2HD PRO 12 16.923 42.919 1.453 85 H THR 13 H THR 13 17.566 37.258 2.388 86 HA THR 13 HA THR 13 17.392 36.270 -0.341 87 HB THR 13 HB THR 13 17.982 34.732 2.203 88 HG1 THR 13 HG1 THR 13 19.835 35.857 0.332 89 1HG2 THR 13 1HG2 THR 13 19.037 33.106 0.717 90 2HG2 THR 13 2HG2 THR 13 18.610 34.090 -0.676 91 3HG2 THR 13 3HG2 THR 13 17.345 33.327 0.273 92 H GLN 14 H GLN 14 15.442 35.811 -1.119 93 HA GLN 14 HA GLN 14 13.146 35.386 0.514 94 1HB GLN 14 1HB GLN 14 13.666 35.018 -2.446 95 2HB GLN 14 2HB GLN 14 12.126 34.593 -1.722 96 1HG GLN 14 1HG GLN 14 12.021 36.792 -2.730 97 2HG GLN 14 2HG GLN 14 11.813 36.899 -0.990 98 1HE2 GLN 14 2HE2 GLN 14 13.405 37.889 0.253 99 2HE2 GLN 14 1HE2 GLN 14 14.663 38.839 -0.452 100 H ALA 15 H ALA 15 13.153 33.682 1.831 101 HA ALA 15 HA ALA 15 14.205 31.101 0.953 102 1HB ALA 15 1HB ALA 15 14.819 31.933 3.189 103 2HB ALA 15 2HB ALA 15 13.938 30.405 3.273 104 3HB ALA 15 3HB ALA 15 13.124 31.915 3.648 105 H ALA 16 H ALA 16 12.839 29.930 -0.235 106 HA ALA 16 HA ALA 16 9.991 30.020 0.140 107 1HB ALA 16 1HB ALA 16 10.944 29.774 -2.106 108 2HB ALA 16 2HB ALA 16 9.920 28.398 -1.687 109 3HB ALA 16 3HB ALA 16 11.679 28.241 -1.628 110 H SER 17 H SER 17 8.739 28.550 1.192 111 HA SER 17 HA SER 17 9.811 26.991 3.246 112 1HB SER 17 1HB SER 17 7.111 26.602 1.947 113 2HB SER 17 2HB SER 17 7.577 26.206 3.608 114 HG SER 17 HG SER 17 7.564 28.283 4.154 115 H SER 18 H SER 18 11.331 25.508 2.570 116 HA SER 18 HA SER 18 10.629 23.478 0.613 117 1HB SER 18 1HB SER 18 12.940 22.591 1.171 118 2HB SER 18 2HB SER 18 12.901 24.213 0.516 119 HG SER 18 HG SER 18 12.976 23.656 3.291 120 HA PRO 19 HA PRO 19 9.068 21.182 4.175 121 1HB PRO 19 1HB PRO 19 6.989 20.022 2.987 122 2HB PRO 19 2HB PRO 19 7.002 21.764 3.240 123 1HG PRO 19 1HG PRO 19 7.511 20.237 0.733 124 2HG PRO 19 2HG PRO 19 6.688 21.777 0.948 125 1HD PRO 19 1HD PRO 19 9.356 21.413 0.181 126 2HD PRO 19 2HD PRO 19 8.609 22.939 0.672 127 H GLY 20 H GLY 20 8.564 18.892 4.625 128 1HA GLY 20 1HA GLY 20 9.494 16.886 2.753 129 2HA GLY 20 2HA GLY 20 10.486 17.057 4.206 130 H GLY 21 H GLY 21 8.210 15.155 2.972 131 1HA GLY 21 1HA GLY 21 6.857 14.766 5.570 132 2HA GLY 21 2HA GLY 21 5.959 14.704 4.061 133 H ALA 22 H ALA 22 8.184 13.059 6.159 134 HA ALA 22 HA ALA 22 7.854 10.585 4.560 135 1HB ALA 22 1HB ALA 22 10.198 11.269 4.775 136 2HB ALA 22 2HB ALA 22 9.886 9.777 5.660 137 3HB ALA 22 3HB ALA 22 10.038 11.313 6.528 138 H ARG 23 H ARG 23 6.488 9.206 5.417 139 HA ARG 23 HA ARG 23 6.021 9.159 8.338 140 1HB ARG 23 1HB ARG 23 3.739 8.696 8.013 141 2HB ARG 23 2HB ARG 23 4.088 9.907 6.767 142 1HG ARG 23 1HG ARG 23 4.502 7.780 5.273 143 2HG ARG 23 2HG ARG 23 3.511 6.978 6.483 144 1HD ARG 23 1HD ARG 23 2.099 7.715 4.656 145 2HD ARG 23 2HD ARG 23 1.741 8.678 6.093 146 HE ARG 23 HE ARG 23 3.554 10.199 4.836 147 1HH1 ARG 23 1HH1 ARG 23 0.614 8.670 3.654 148 2HH1 ARG 23 2HH1 ARG 23 0.411 9.845 2.388 149 1HH2 ARG 23 1HH2 ARG 23 3.257 11.715 3.233 150 2HH2 ARG 23 2HH2 ARG 23 1.884 11.610 2.169 151 H ALA 24 H ALA 24 6.100 7.214 9.374 152 HA ALA 24 HA ALA 24 6.870 4.860 7.767 153 1HB ALA 24 1HB ALA 24 8.540 5.579 9.402 154 2HB ALA 24 2HB ALA 24 7.872 4.009 9.833 155 3HB ALA 24 3HB ALA 24 7.340 5.451 10.691 156 H VAL 25 H VAL 25 5.270 3.498 7.409 157 HA VAL 25 HA VAL 25 3.141 3.170 9.437 158 HB VAL 25 HB VAL 25 1.729 2.339 7.597 159 1HG1 VAL 25 1HG1 VAL 25 1.610 4.707 8.150 160 2HG1 VAL 25 2HG1 VAL 25 1.428 4.504 6.403 161 3HG1 VAL 25 3HG1 VAL 25 2.969 5.061 7.078 162 1HG2 VAL 25 1HG2 VAL 25 3.495 1.440 6.152 163 2HG2 VAL 25 2HG2 VAL 25 4.054 3.090 5.813 164 3HG2 VAL 25 3HG2 VAL 25 2.453 2.559 5.267 165 H SER 26 H SER 26 2.511 1.078 10.035 166 HA SER 26 HA SER 26 4.569 -0.951 9.459 167 1HB SER 26 1HB SER 26 3.616 -1.940 11.650 168 2HB SER 26 2HB SER 26 4.639 -0.511 11.743 169 HG SER 26 HG SER 26 1.782 -0.549 11.783 170 H ILE 27 H ILE 27 3.949 -3.158 9.439 171 HA ILE 27 HA ILE 27 1.218 -3.696 8.440 172 HB ILE 27 HB ILE 27 3.800 -4.915 7.359 173 1HG1 ILE 27 1HG1 ILE 27 2.803 -4.023 5.140 174 2HG1 ILE 27 2HG1 ILE 27 1.756 -3.043 6.159 175 1HG2 ILE 27 1HG2 ILE 27 2.384 -6.231 5.853 176 2HG2 ILE 27 2HG2 ILE 27 0.941 -5.614 6.673 177 3HG2 ILE 27 3HG2 ILE 27 2.090 -6.627 7.546 178 1HD1 ILE 27 1HD1 ILE 27 3.698 -1.812 5.358 179 2HD1 ILE 27 2HD1 ILE 27 4.762 -2.954 6.190 180 3HD1 ILE 27 3HD1 ILE 27 3.667 -1.937 7.109 181 H VAL 28 H VAL 28 0.231 -5.290 9.531 182 HA VAL 28 HA VAL 28 1.836 -6.763 11.510 183 HB VAL 28 HB VAL 28 -0.294 -7.131 12.729 184 1HG1 VAL 28 1HG1 VAL 28 1.141 -5.246 13.303 185 2HG1 VAL 28 2HG1 VAL 28 -0.553 -4.835 13.541 186 3HG1 VAL 28 3HG1 VAL 28 0.307 -4.230 12.124 187 1HG2 VAL 28 1HG2 VAL 28 -1.501 -5.309 10.624 188 2HG2 VAL 28 2HG2 VAL 28 -2.309 -5.848 12.108 189 3HG2 VAL 28 3HG2 VAL 28 -1.871 -7.024 10.873 190 H GLY 29 H GLY 29 2.475 -8.612 10.629 191 1HA GLY 29 1HA GLY 29 2.256 -10.825 9.983 192 2HA GLY 29 2HA GLY 29 0.509 -10.632 9.959 193 H ASN 30 H ASN 30 -0.380 -9.350 8.144 194 HA ASN 30 HA ASN 30 1.304 -8.923 5.834 195 1HB ASN 30 1HB ASN 30 0.169 -10.384 4.319 196 2HB ASN 30 2HB ASN 30 0.583 -11.373 5.718 197 1HD2 ASN 30 2HD2 ASN 30 -1.494 -11.678 3.664 198 2HD2 ASN 30 1HD2 ASN 30 -2.999 -11.790 4.505 199 H GLN 31 H GLN 31 -0.735 -7.617 7.783 200 HA GLN 31 HA GLN 31 -2.578 -6.529 5.733 201 1HB GLN 31 1HB GLN 31 -3.724 -8.028 7.380 202 2HB GLN 31 2HB GLN 31 -3.244 -6.913 8.667 203 1HG GLN 31 1HG GLN 31 -4.533 -5.135 7.641 204 2HG GLN 31 2HG GLN 31 -4.920 -6.175 6.276 205 1HE2 GLN 31 2HE2 GLN 31 -4.902 -7.171 9.667 206 2HE2 GLN 31 1HE2 GLN 31 -6.602 -7.457 9.776 207 H ILE 32 H ILE 32 -2.542 -4.332 5.545 208 HA ILE 32 HA ILE 32 -1.835 -2.741 7.909 209 HB ILE 32 HB ILE 32 -0.091 -2.688 6.187 210 1HG1 ILE 32 1HG1 ILE 32 -1.652 -0.080 6.204 211 2HG1 ILE 32 2HG1 ILE 32 -0.558 -0.604 7.477 212 1HG2 ILE 32 1HG2 ILE 32 -0.542 -1.792 3.938 213 2HG2 ILE 32 2HG2 ILE 32 -2.258 -1.692 4.331 214 3HG2 ILE 32 3HG2 ILE 32 -1.471 -3.258 4.253 215 1HD1 ILE 32 1HD1 ILE 32 0.223 -0.019 4.611 216 2HD1 ILE 32 2HD1 ILE 32 1.313 -0.507 5.914 217 3HD1 ILE 32 3HD1 ILE 32 0.476 1.029 6.007 218 H ASP 33 H ASP 33 -3.025 -0.835 8.296 219 HA ASP 33 HA ASP 33 -5.661 -0.795 7.086 220 1HB ASP 33 1HB ASP 33 -5.248 -0.510 9.597 221 2HB ASP 33 2HB ASP 33 -4.639 1.110 9.227 222 H SER 34 H SER 34 -6.431 0.730 5.758 223 HA SER 34 HA SER 34 -4.607 2.002 4.050 224 1HB SER 34 1HB SER 34 -6.642 3.041 3.011 225 2HB SER 34 2HB SER 34 -6.737 1.292 3.180 226 HG SER 34 HG SER 34 -7.919 1.703 5.168 227 H ARG 35 H ARG 35 -6.273 3.155 6.878 228 HA ARG 35 HA ARG 35 -6.216 5.914 6.348 229 1HB ARG 35 1HB ARG 35 -7.644 4.983 8.068 230 2HB ARG 35 2HB ARG 35 -6.264 4.415 8.993 231 1HG ARG 35 1HG ARG 35 -6.547 7.346 8.424 232 2HG ARG 35 2HG ARG 35 -7.540 6.593 9.686 233 1HD ARG 35 1HD ARG 35 -5.559 5.831 10.845 234 2HD ARG 35 2HD ARG 35 -4.529 6.422 9.552 235 HE ARG 35 HE ARG 35 -6.021 8.559 10.530 236 1HH1 ARG 35 1HH1 ARG 35 -3.464 6.406 11.556 237 2HH1 ARG 35 2HH1 ARG 35 -2.775 7.556 12.651 238 1HH2 ARG 35 1HH2 ARG 35 -5.117 10.076 12.004 239 2HH2 ARG 35 2HH2 ARG 35 -3.693 9.640 12.906 240 H GLU 36 H GLU 36 -3.858 3.702 7.727 241 HA GLU 36 HA GLU 36 -2.013 5.561 8.718 242 1HB GLU 36 1HB GLU 36 -1.498 2.812 7.543 243 2HB GLU 36 2HB GLU 36 -0.354 3.715 8.534 244 1HG GLU 36 1HG GLU 36 -3.052 2.676 9.401 245 2HG GLU 36 2HG GLU 36 -1.493 2.024 9.864 246 H LEU 37 H LEU 37 -2.369 4.155 5.499 247 HA LEU 37 HA LEU 37 -0.051 5.376 4.393 248 1HB LEU 37 1HB LEU 37 -2.533 4.320 3.025 249 2HB LEU 37 2HB LEU 37 -1.023 4.734 2.219 250 HG LEU 37 HG LEU 37 -1.330 2.530 4.287 251 1HD1 LEU 37 1HD1 LEU 37 -2.534 1.937 2.265 252 2HD1 LEU 37 2HD1 LEU 37 -1.034 1.004 2.365 253 3HD1 LEU 37 3HD1 LEU 37 -1.152 2.389 1.270 254 1HD2 LEU 37 1HD2 LEU 37 1.003 3.267 2.506 255 2HD2 LEU 37 2HD2 LEU 37 0.918 1.851 3.556 256 3HD2 LEU 37 3HD2 LEU 37 0.911 3.487 4.248 257 H PHE 38 H PHE 38 -3.498 6.123 4.269 258 HA PHE 38 HA PHE 38 -2.993 8.624 2.828 259 1HB PHE 38 1HB PHE 38 -5.622 7.385 3.720 260 2HB PHE 38 2HB PHE 38 -5.420 8.710 2.580 261 HD1 PHE 38 HD1 PHE 38 -3.962 8.219 0.478 262 HD2 PHE 38 HD2 PHE 38 -5.816 5.231 2.861 263 HE1 PHE 38 HE1 PHE 38 -3.849 6.647 -1.424 264 HE2 PHE 38 HE2 PHE 38 -5.699 3.646 0.982 265 HZ PHE 38 HZ PHE 38 -4.713 4.357 -1.173 266 H THR 39 H THR 39 -2.189 8.258 5.673 267 HA THR 39 HA THR 39 -3.914 9.464 7.475 268 HB THR 39 HB THR 39 -1.877 8.267 8.138 269 HG1 THR 39 HG1 THR 39 -1.164 9.788 9.752 270 1HG2 THR 39 1HG2 THR 39 0.326 9.322 7.978 271 2HG2 THR 39 2HG2 THR 39 -0.391 10.683 7.120 272 3HG2 THR 39 3HG2 THR 39 -0.380 9.087 6.381 273 H VAL 40 H VAL 40 -1.880 10.917 5.052 274 HA VAL 40 HA VAL 40 -2.948 13.558 5.738 275 HB VAL 40 HB VAL 40 -0.722 13.585 6.683 276 1HG1 VAL 40 1HG1 VAL 40 0.298 11.773 5.395 277 2HG1 VAL 40 2HG1 VAL 40 1.296 13.234 5.349 278 3HG1 VAL 40 3HG1 VAL 40 0.307 12.787 3.951 279 1HG2 VAL 40 1HG2 VAL 40 0.229 15.484 5.466 280 2HG2 VAL 40 2HG2 VAL 40 -1.525 15.640 5.623 281 3HG2 VAL 40 3HG2 VAL 40 -0.814 15.134 4.088 282 H ASP 41 H ASP 41 -1.292 11.556 3.296 283 HA ASP 41 HA ASP 41 -2.434 13.278 1.218 284 1HB ASP 41 1HB ASP 41 -0.211 11.213 1.105 285 2HB ASP 41 2HB ASP 41 -0.931 11.929 -0.340 286 H ARG 42 H ARG 42 -4.403 12.653 0.613 287 HA ARG 42 HA ARG 42 -5.442 10.064 0.854 288 1HB ARG 42 1HB ARG 42 -6.728 12.225 0.827 289 2HB ARG 42 2HB ARG 42 -6.468 12.304 -0.903 290 1HG ARG 42 1HG ARG 42 -7.768 10.374 -1.305 291 2HG ARG 42 2HG ARG 42 -7.848 9.999 0.431 292 1HD ARG 42 1HD ARG 42 -9.070 12.428 -0.901 293 2HD ARG 42 2HD ARG 42 -9.936 10.995 -0.361 294 HE ARG 42 HE ARG 42 -8.728 11.769 1.908 295 1HH1 ARG 42 1HH1 ARG 42 -10.653 13.557 -0.407 296 2HH1 ARG 42 2HH1 ARG 42 -11.198 14.718 0.755 297 1HH2 ARG 42 1HH2 ARG 42 -9.446 13.257 3.445 298 2HH2 ARG 42 2HH2 ARG 42 -10.530 14.527 2.966 299 H GLU 43 H GLU 43 -3.026 10.858 -1.135 300 HA GLU 43 HA GLU 43 -3.722 8.664 -2.945 301 1HB GLU 43 1HB GLU 43 -4.167 10.684 -4.262 302 2HB GLU 43 2HB GLU 43 -2.561 11.305 -3.863 303 1HG GLU 43 1HG GLU 43 -1.574 9.382 -5.050 304 2HG GLU 43 2HG GLU 43 -3.193 8.845 -5.486 305 H ILE 44 H ILE 44 -2.076 7.285 -3.212 306 HA ILE 44 HA ILE 44 0.612 8.066 -2.302 307 HB ILE 44 HB ILE 44 -0.777 5.431 -1.799 308 1HG1 ILE 44 1HG1 ILE 44 -1.511 7.234 -0.285 309 2HG1 ILE 44 2HG1 ILE 44 -0.629 5.976 0.585 310 1HG2 ILE 44 1HG2 ILE 44 2.044 6.260 -1.146 311 2HG2 ILE 44 2HG2 ILE 44 1.534 4.994 -2.251 312 3HG2 ILE 44 3HG2 ILE 44 1.257 4.802 -0.522 313 1HD1 ILE 44 1HD1 ILE 44 1.330 7.401 0.658 314 2HD1 ILE 44 2HD1 ILE 44 -0.065 8.248 1.344 315 3HD1 ILE 44 3HD1 ILE 44 0.497 8.631 -0.290 316 H VAL 45 H VAL 45 2.292 7.278 -3.571 317 HA VAL 45 HA VAL 45 1.491 5.971 -6.077 318 HB VAL 45 HB VAL 45 3.983 7.574 -5.492 319 1HG1 VAL 45 1HG1 VAL 45 4.396 7.481 -7.905 320 2HG1 VAL 45 2HG1 VAL 45 2.951 6.494 -8.119 321 3HG1 VAL 45 3HG1 VAL 45 4.325 5.846 -7.219 322 1HG2 VAL 45 1HG2 VAL 45 1.522 8.323 -7.056 323 2HG2 VAL 45 2HG2 VAL 45 2.969 9.312 -6.906 324 3HG2 VAL 45 3HG2 VAL 45 1.973 8.974 -5.489 325 H ILE 46 H ILE 46 1.704 3.833 -5.794 326 HA ILE 46 HA ILE 46 3.977 2.700 -4.418 327 HB ILE 46 HB ILE 46 1.818 1.292 -6.011 328 1HG1 ILE 46 1HG1 ILE 46 2.014 1.874 -3.047 329 2HG1 ILE 46 2HG1 ILE 46 0.881 2.614 -4.167 330 1HG2 ILE 46 1HG2 ILE 46 2.478 -0.700 -4.743 331 2HG2 ILE 46 2HG2 ILE 46 3.783 0.213 -3.973 332 3HG2 ILE 46 3HG2 ILE 46 3.814 -0.088 -5.723 333 1HD1 ILE 46 1HD1 ILE 46 -0.249 0.947 -2.876 334 2HD1 ILE 46 2HD1 ILE 46 0.957 -0.265 -3.310 335 3HD1 ILE 46 3HD1 ILE 46 -0.124 0.381 -4.540 336 H ALA 47 H ALA 47 5.918 2.839 -5.480 337 HA ALA 47 HA ALA 47 6.021 2.623 -8.373 338 1HB ALA 47 1HB ALA 47 7.372 4.302 -7.146 339 2HB ALA 47 2HB ALA 47 8.352 3.222 -8.140 340 3HB ALA 47 3HB ALA 47 8.266 2.989 -6.395 341 H HIS 48 H HIS 48 6.914 0.934 -9.504 342 HA HIS 48 HA HIS 48 8.110 -1.282 -8.035 343 1HB HIS 48 1HB HIS 48 5.726 -1.841 -7.985 344 2HB HIS 48 2HB HIS 48 5.606 -1.625 -9.721 345 HD1 HIS 48 HD1 HIS 48 7.224 -3.925 -7.185 346 HD2 HIS 48 HD2 HIS 48 6.149 -3.869 -11.205 347 HE1 HIS 48 HE1 HIS 48 7.640 -6.258 -8.018 348 HE2 HIS 48 HE2 HIS 48 7.200 -6.132 -10.497 349 H GLY 49 H GLY 49 10.050 -1.161 -9.190 350 1HA GLY 49 1HA GLY 49 11.332 -2.063 -10.897 351 2HA GLY 49 2HA GLY 49 9.881 -2.245 -11.877 352 H ASP 50 H ASP 50 9.745 -0.921 -13.524 353 HA ASP 50 HA ASP 50 11.219 1.613 -13.431 354 1HB ASP 50 1HB ASP 50 11.692 0.130 -15.339 355 2HB ASP 50 2HB ASP 50 9.988 0.170 -15.789 356 H ASP 51 H ASP 51 8.032 0.315 -13.239 357 HA ASP 51 HA ASP 51 6.819 2.785 -14.228 358 1HB ASP 51 1HB ASP 51 5.605 0.066 -13.661 359 2HB ASP 51 2HB ASP 51 4.743 1.480 -14.286 360 H ARG 52 H ARG 52 4.725 3.346 -13.025 361 HA ARG 52 HA ARG 52 5.106 3.133 -10.134 362 1HB ARG 52 1HB ARG 52 4.787 5.697 -11.678 363 2HB ARG 52 2HB ARG 52 4.640 5.581 -9.926 364 1HG ARG 52 1HG ARG 52 6.906 5.131 -9.647 365 2HG ARG 52 2HG ARG 52 7.137 4.674 -11.332 366 1HD ARG 52 1HD ARG 52 6.499 7.467 -10.359 367 2HD ARG 52 2HD ARG 52 8.099 6.890 -10.792 368 HE ARG 52 HE ARG 52 5.933 6.771 -12.773 369 1HH1 ARG 52 1HH1 ARG 52 8.988 8.115 -11.761 370 2HH1 ARG 52 2HH1 ARG 52 9.373 8.777 -13.322 371 1HH2 ARG 52 1HH2 ARG 52 6.398 7.630 -14.813 372 2HH2 ARG 52 2HH2 ARG 52 7.862 8.502 -15.063 373 H TYR 53 H TYR 53 3.267 2.909 -9.051 374 HA TYR 53 HA TYR 53 0.727 3.015 -10.579 375 1HB TYR 53 1HB TYR 53 1.398 1.513 -8.029 376 2HB TYR 53 2HB TYR 53 -0.144 1.465 -8.865 377 HD1 TYR 53 HD2 TYR 53 3.496 0.851 -9.575 378 HD2 TYR 53 HD1 TYR 53 -0.534 -0.369 -10.254 379 HE1 TYR 53 HE2 TYR 53 4.292 -1.078 -10.867 380 HE2 TYR 53 HE1 TYR 53 0.265 -2.298 -11.564 381 HH TYR 53 HH TYR 53 2.407 -2.865 -12.881 382 H ARG 54 H ARG 54 -1.163 3.682 -9.259 383 HA ARG 54 HA ARG 54 -0.489 5.566 -7.091 384 1HB ARG 54 1HB ARG 54 -2.529 5.964 -9.306 385 2HB ARG 54 2HB ARG 54 -2.448 6.965 -7.862 386 1HG ARG 54 1HG ARG 54 -0.106 7.592 -8.540 387 2HG ARG 54 2HG ARG 54 -0.385 6.740 -10.065 388 1HD ARG 54 1HD ARG 54 -2.284 8.204 -10.547 389 2HD ARG 54 2HD ARG 54 -2.062 9.012 -9.000 390 HE ARG 54 HE ARG 54 0.139 9.078 -10.916 391 1HH1 ARG 54 1HH1 ARG 54 -2.422 10.741 -9.202 392 2HH1 ARG 54 2HH1 ARG 54 -1.955 12.314 -9.775 393 1HH2 ARG 54 1HH2 ARG 54 0.821 11.134 -11.578 394 2HH2 ARG 54 2HH2 ARG 54 -0.089 12.542 -11.105 395 H LEU 55 H LEU 55 -1.208 4.531 -5.306 396 HA LEU 55 HA LEU 55 -3.822 3.224 -5.316 397 1HB LEU 55 1HB LEU 55 -1.861 2.253 -4.067 398 2HB LEU 55 2HB LEU 55 -1.832 3.678 -3.052 399 HG LEU 55 HG LEU 55 -4.195 3.094 -2.336 400 1HD1 LEU 55 1HD1 LEU 55 -3.550 0.466 -3.629 401 2HD1 LEU 55 2HD1 LEU 55 -4.734 1.618 -4.226 402 3HD1 LEU 55 3HD1 LEU 55 -4.979 0.823 -2.667 403 1HD2 LEU 55 1HD2 LEU 55 -2.254 2.647 -0.903 404 2HD2 LEU 55 2HD2 LEU 55 -2.036 1.083 -1.695 405 3HD2 LEU 55 3HD2 LEU 55 -3.490 1.395 -0.733 406 H ARG 56 H ARG 56 -5.552 4.548 -5.035 407 HA ARG 56 HA ARG 56 -5.078 7.143 -3.698 408 1HB ARG 56 1HB ARG 56 -5.073 7.347 -6.186 409 2HB ARG 56 2HB ARG 56 -6.706 6.734 -6.227 410 1HG ARG 56 1HG ARG 56 -7.547 8.673 -5.107 411 2HG ARG 56 2HG ARG 56 -5.920 9.237 -4.738 412 1HD ARG 56 1HD ARG 56 -5.457 9.549 -7.115 413 2HD ARG 56 2HD ARG 56 -7.061 8.930 -7.522 414 HE ARG 56 HE ARG 56 -7.903 10.927 -6.184 415 1HH1 ARG 56 1HH1 ARG 56 -4.817 10.981 -7.857 416 2HH1 ARG 56 2HH1 ARG 56 -4.902 12.676 -8.224 417 1HH2 ARG 56 1HH2 ARG 56 -8.029 13.142 -6.716 418 2HH2 ARG 56 2HH2 ARG 56 -6.719 13.914 -7.559 419 H LEU 57 H LEU 57 -6.700 7.940 -2.500 420 HA LEU 57 HA LEU 57 -8.864 6.035 -1.837 421 1HB LEU 57 1HB LEU 57 -7.203 6.483 -0.056 422 2HB LEU 57 2HB LEU 57 -7.552 8.197 -0.150 423 HG LEU 57 HG LEU 57 -9.926 7.656 0.540 424 1HD1 LEU 57 1HD1 LEU 57 -9.934 5.298 -0.061 425 2HD1 LEU 57 2HD1 LEU 57 -10.337 5.536 1.636 426 3HD1 LEU 57 3HD1 LEU 57 -8.733 4.956 1.187 427 1HD2 LEU 57 1HD2 LEU 57 -8.271 8.585 2.089 428 2HD2 LEU 57 2HD2 LEU 57 -7.740 6.952 2.501 429 3HD2 LEU 57 3HD2 LEU 57 -9.377 7.486 2.900 430 H THR 58 H THR 58 -10.940 6.853 -1.518 431 HA THR 58 HA THR 58 -11.419 9.555 -2.558 432 HB THR 58 HB THR 58 -13.835 8.785 -2.692 433 HG1 THR 58 HG1 THR 58 -12.781 6.185 -2.291 434 1HG2 THR 58 1HG2 THR 58 -11.865 7.075 -4.203 435 2HG2 THR 58 2HG2 THR 58 -12.352 8.703 -4.657 436 3HG2 THR 58 3HG2 THR 58 -13.535 7.381 -4.658 437 H SER 59 H SER 59 -12.808 10.960 -1.307 438 HA SER 59 HA SER 59 -12.349 12.013 0.854 439 1HB SER 59 1HB SER 59 -15.083 10.737 0.753 440 2HB SER 59 2HB SER 59 -14.641 12.176 1.670 441 HG SER 59 HG SER 59 -14.492 13.307 -0.136 442 H GLN 60 H GLN 60 -14.440 9.288 1.745 443 HA GLN 60 HA GLN 60 -12.358 8.090 3.402 444 1HB GLN 60 1HB GLN 60 -13.553 9.681 4.871 445 2HB GLN 60 2HB GLN 60 -15.071 8.890 4.493 446 1HG GLN 60 1HG GLN 60 -14.400 6.898 5.626 447 2HG GLN 60 2HG GLN 60 -12.751 7.498 5.839 448 1HE2 GLN 60 2HE2 GLN 60 -16.092 7.852 6.842 449 2HE2 GLN 60 1HE2 GLN 60 -15.757 8.684 8.313 450 H ASN 61 H ASN 61 -14.380 7.766 1.010 451 HA ASN 61 HA ASN 61 -16.194 5.703 1.751 452 1HB ASN 61 1HB ASN 61 -15.293 6.611 -1.001 453 2HB ASN 61 2HB ASN 61 -16.695 5.574 -0.667 454 1HD2 ASN 61 2HD2 ASN 61 -18.117 7.006 -1.606 455 2HD2 ASN 61 1HD2 ASN 61 -18.525 8.534 -0.896 456 H LYS 62 H LYS 62 -13.703 5.496 -0.794 457 HA LYS 62 HA LYS 62 -12.770 2.937 0.201 458 1HB LYS 62 1HB LYS 62 -13.245 1.778 -1.994 459 2HB LYS 62 2HB LYS 62 -14.678 2.146 -1.033 460 1HG LYS 62 1HG LYS 62 -15.351 2.749 -3.170 461 2HG LYS 62 2HG LYS 62 -14.837 4.300 -2.492 462 1HD LYS 62 1HD LYS 62 -12.708 4.131 -3.656 463 2HD LYS 62 2HD LYS 62 -13.121 2.531 -4.253 464 1HE LYS 62 1HE LYS 62 -14.568 5.098 -4.908 465 2HE LYS 62 2HE LYS 62 -13.457 4.236 -5.969 466 1HZ LYS 62 1HZ LYS 62 -16.039 3.191 -4.942 467 2HZ LYS 62 2HZ LYS 62 -15.003 2.372 -5.995 468 3HZ LYS 62 3HZ LYS 62 -15.786 3.790 -6.502 469 H LEU 63 H LEU 63 -11.233 2.017 -1.716 470 HA LEU 63 HA LEU 63 -9.686 4.253 -2.832 471 1HB LEU 63 1HB LEU 63 -7.564 3.277 -2.125 472 2HB LEU 63 2HB LEU 63 -8.536 3.729 -0.741 473 HG LEU 63 HG LEU 63 -8.419 0.898 -1.749 474 1HD1 LEU 63 1HD1 LEU 63 -6.132 1.600 -1.234 475 2HD1 LEU 63 2HD1 LEU 63 -6.728 0.431 -0.060 476 3HD1 LEU 63 3HD1 LEU 63 -6.661 2.143 0.358 477 1HD2 LEU 63 1HD2 LEU 63 -10.271 1.440 -0.251 478 2HD2 LEU 63 2HD2 LEU 63 -9.125 2.066 0.945 479 3HD2 LEU 63 3HD2 LEU 63 -9.122 0.354 0.530 480 H ILE 64 H ILE 64 -7.971 3.428 -4.351 481 HA ILE 64 HA ILE 64 -8.630 0.932 -5.696 482 HB ILE 64 HB ILE 64 -8.817 2.191 -7.942 483 1HG1 ILE 64 1HG1 ILE 64 -9.975 4.464 -7.670 484 2HG1 ILE 64 2HG1 ILE 64 -9.360 4.460 -6.025 485 1HG2 ILE 64 1HG2 ILE 64 -10.638 0.958 -6.911 486 2HG2 ILE 64 2HG2 ILE 64 -11.236 2.376 -7.754 487 3HG2 ILE 64 3HG2 ILE 64 -11.111 2.380 -5.998 488 1HD1 ILE 64 1HD1 ILE 64 -7.681 4.365 -8.519 489 2HD1 ILE 64 2HD1 ILE 64 -7.075 4.382 -6.866 490 3HD1 ILE 64 3HD1 ILE 64 -7.958 5.768 -7.487 491 H LEU 65 H LEU 65 -7.158 0.703 -7.678 492 HA LEU 65 HA LEU 65 -4.568 2.037 -7.254 493 1HB LEU 65 1HB LEU 65 -4.489 -0.252 -6.314 494 2HB LEU 65 2HB LEU 65 -4.968 -0.908 -7.857 495 HG LEU 65 HG LEU 65 -2.829 0.090 -8.822 496 1HD1 LEU 65 1HD1 LEU 65 -1.046 0.652 -7.245 497 2HD1 LEU 65 2HD1 LEU 65 -2.201 0.507 -5.925 498 3HD1 LEU 65 3HD1 LEU 65 -2.413 1.758 -7.144 499 1HD2 LEU 65 1HD2 LEU 65 -3.021 -2.302 -8.311 500 2HD2 LEU 65 2HD2 LEU 65 -2.505 -2.001 -6.648 501 3HD2 LEU 65 3HD2 LEU 65 -1.396 -1.700 -7.980 502 H THR 66 H THR 66 -4.105 3.159 -9.033 503 HA THR 66 HA THR 66 -4.866 2.065 -11.649 504 HB THR 66 HB THR 66 -6.634 3.577 -11.105 505 HG1 THR 66 HG1 THR 66 -5.041 5.237 -12.738 506 1HG2 THR 66 1HG2 THR 66 -5.551 4.860 -9.348 507 2HG2 THR 66 2HG2 THR 66 -6.268 5.924 -10.572 508 3HG2 THR 66 3HG2 THR 66 -4.532 5.631 -10.547 509 H LYS 67 H LYS 67 -3.680 2.866 -13.418 510 HA LYS 67 HA LYS 67 -1.407 4.592 -12.891 511 1HB LYS 67 1HB LYS 67 -0.121 2.675 -14.382 512 2HB LYS 67 2HB LYS 67 -0.002 2.856 -12.639 513 1HG LYS 67 1HG LYS 67 -0.403 0.545 -13.097 514 2HG LYS 67 2HG LYS 67 -1.880 1.200 -12.428 515 1HD LYS 67 1HD LYS 67 -2.611 -0.109 -14.226 516 2HD LYS 67 2HD LYS 67 -2.651 1.515 -14.884 517 1HE LYS 67 1HE LYS 67 -0.452 -0.529 -15.311 518 2HE LYS 67 2HE LYS 67 -1.686 -0.064 -16.488 519 1HZ LYS 67 1HZ LYS 67 0.323 1.069 -16.968 520 2HZ LYS 67 2HZ LYS 67 0.463 1.640 -15.404 521 3HZ LYS 67 3HZ LYS 67 -0.773 2.222 -16.394 522 1H MET 1 1H MET 1 -0.579 -68.382 21.749 523 2H MET 1 2H MET 1 -0.358 -66.896 22.530 524 3H MET 1 3H MET 1 -0.786 -68.269 23.420 525 HA MET 1 HA MET 1 1.530 -67.761 23.732 526 1HB MET 1 1HB MET 1 0.848 -70.114 23.776 527 2HB MET 1 2HB MET 1 1.064 -70.232 22.045 528 1HG MET 1 1HG MET 1 3.475 -69.755 22.386 529 2HG MET 1 2HG MET 1 3.198 -69.781 24.126 530 1HE MET 1 1HE MET 1 5.158 -71.619 24.288 531 2HE MET 1 2HE MET 1 5.351 -71.656 22.524 532 3HE MET 1 3HE MET 1 5.105 -73.150 23.425 533 H MET 2 H MET 2 1.999 -65.878 22.516 534 HA MET 2 HA MET 2 4.077 -66.089 20.697 535 1HB MET 2 1HB MET 2 2.439 -66.817 19.040 536 2HB MET 2 2HB MET 2 1.385 -65.448 19.416 537 1HG MET 2 1HG MET 2 3.057 -63.919 18.526 538 2HG MET 2 2HG MET 2 4.144 -65.272 18.178 539 1HE MET 2 1HE MET 2 3.218 -63.074 15.968 540 2HE MET 2 2HE MET 2 2.956 -64.144 14.598 541 3HE MET 2 3HE MET 2 4.335 -64.407 15.657 542 H THR 3 H THR 3 5.166 -64.359 21.362 543 HA THR 3 HA THR 3 3.922 -62.114 22.610 544 HB THR 3 HB THR 3 6.275 -61.111 22.513 545 HG1 THR 3 HG1 THR 3 7.124 -62.194 20.735 546 1HG2 THR 3 1HG2 THR 3 5.455 -62.391 24.452 547 2HG2 THR 3 2HG2 THR 3 7.178 -62.667 24.165 548 3HG2 THR 3 3HG2 THR 3 6.004 -63.882 23.687 549 H ALA 4 H ALA 4 2.440 -61.620 20.803 550 HA ALA 4 HA ALA 4 3.558 -60.403 18.411 551 1HB ALA 4 1HB ALA 4 1.560 -61.817 18.251 552 2HB ALA 4 2HB ALA 4 1.229 -60.171 17.721 553 3HB ALA 4 3HB ALA 4 0.685 -60.709 19.322 554 H SER 5 H SER 5 4.577 -58.535 19.038 555 HA SER 5 HA SER 5 3.465 -56.698 20.901 556 1HB SER 5 1HB SER 5 5.668 -56.240 18.869 557 2HB SER 5 2HB SER 5 5.338 -55.244 20.289 558 HG SER 5 HG SER 5 5.642 -57.510 21.351 559 H ASP 6 H ASP 6 1.358 -56.324 20.072 560 HA ASP 6 HA ASP 6 1.014 -54.984 17.528 561 1HB ASP 6 1HB ASP 6 -0.817 -56.348 18.260 562 2HB ASP 6 2HB ASP 6 -0.886 -55.543 19.820 563 H ARG 7 H ARG 7 1.287 -52.893 17.193 564 HA ARG 7 HA ARG 7 0.886 -50.904 19.231 565 1HB ARG 7 1HB ARG 7 3.240 -50.058 19.112 566 2HB ARG 7 2HB ARG 7 3.078 -51.605 19.953 567 1HG ARG 7 1HG ARG 7 3.783 -52.777 17.905 568 2HG ARG 7 2HG ARG 7 4.000 -51.213 17.105 569 1HD ARG 7 1HD ARG 7 5.705 -50.577 18.723 570 2HD ARG 7 2HD ARG 7 5.478 -52.115 19.581 571 HE ARG 7 HE ARG 7 6.376 -53.232 17.649 572 1HH1 ARG 7 1HH1 ARG 7 6.820 -49.759 17.733 573 2HH1 ARG 7 2HH1 ARG 7 8.137 -49.776 16.610 574 1HH2 ARG 7 1HH2 ARG 7 8.143 -53.269 16.203 575 2HH2 ARG 7 2HH2 ARG 7 8.928 -51.784 15.769 576 H LEU 8 H LEU 8 0.840 -48.813 18.437 577 HA LEU 8 HA LEU 8 0.792 -48.582 15.501 578 1HB LEU 8 1HB LEU 8 -0.389 -46.767 17.603 579 2HB LEU 8 2HB LEU 8 -0.520 -46.529 15.874 580 HG LEU 8 HG LEU 8 -1.743 -48.792 17.471 581 1HD1 LEU 8 1HD1 LEU 8 -3.004 -46.495 15.999 582 2HD1 LEU 8 2HD1 LEU 8 -2.925 -46.677 17.741 583 3HD1 LEU 8 3HD1 LEU 8 -3.876 -47.805 16.778 584 1HD2 LEU 8 1HD2 LEU 8 -1.886 -48.270 14.507 585 2HD2 LEU 8 2HD2 LEU 8 -2.762 -49.528 15.375 586 3HD2 LEU 8 3HD2 LEU 8 -0.998 -49.585 15.268 587 H GLY 9 H GLY 9 1.449 -46.335 14.686 588 1HA GLY 9 1HA GLY 9 3.480 -44.982 16.269 589 2HA GLY 9 2HA GLY 9 4.110 -45.874 14.880 590 H ALA 10 H ALA 10 1.344 -43.734 15.568 591 HA ALA 10 HA ALA 10 2.001 -42.228 13.100 592 1HB ALA 10 1HB ALA 10 -0.344 -41.624 12.954 593 2HB ALA 10 2HB ALA 10 -0.686 -42.451 14.471 594 3HB ALA 10 3HB ALA 10 -0.191 -43.376 13.071 595 H ASP 11 H ASP 11 3.443 -40.823 14.058 596 HA ASP 11 HA ASP 11 2.766 -39.294 16.402 597 1HB ASP 11 1HB ASP 11 5.054 -39.086 14.421 598 2HB ASP 11 2HB ASP 11 4.869 -38.023 15.799 599 HA PRO 12 HA PRO 12 0.136 -36.425 14.161 600 1HB PRO 12 1HB PRO 12 0.765 -34.680 16.497 601 2HB PRO 12 2HB PRO 12 -0.801 -35.125 15.822 602 1HG PRO 12 1HG PRO 12 0.086 -36.198 18.095 603 2HG PRO 12 2HG PRO 12 -0.857 -37.168 16.940 604 1HD PRO 12 1HD PRO 12 2.085 -37.210 17.507 605 2HD PRO 12 2HD PRO 12 1.015 -38.534 17.044 606 H THR 13 H THR 13 2.965 -35.159 15.871 607 HA THR 13 HA THR 13 4.757 -33.947 15.185 608 HB THR 13 HB THR 13 3.677 -34.111 12.368 609 HG1 THR 13 HG1 THR 13 4.003 -36.202 13.086 610 1HG2 THR 13 1HG2 THR 13 6.448 -33.567 13.449 611 2HG2 THR 13 2HG2 THR 13 5.389 -32.406 12.646 612 3HG2 THR 13 3HG2 THR 13 6.036 -33.785 11.742 613 H GLN 14 H GLN 14 1.974 -32.896 13.195 614 HA GLN 14 HA GLN 14 0.854 -30.951 13.027 615 1HB GLN 14 1HB GLN 14 2.237 -30.309 15.655 616 2HB GLN 14 2HB GLN 14 0.986 -29.321 14.916 617 1HG GLN 14 1HG GLN 14 -0.650 -31.046 15.158 618 2HG GLN 14 2HG GLN 14 0.574 -32.195 15.671 619 1HE2 GLN 14 2HE2 GLN 14 -1.857 -31.248 17.040 620 2HE2 GLN 14 1HE2 GLN 14 -1.323 -30.639 18.570 621 H ALA 15 H ALA 15 1.554 -29.918 11.275 622 HA ALA 15 HA ALA 15 4.167 -28.773 11.056 623 1HB ALA 15 1HB ALA 15 2.975 -29.648 9.102 624 2HB ALA 15 2HB ALA 15 3.432 -27.955 8.876 625 3HB ALA 15 3HB ALA 15 1.752 -28.387 9.265 626 H ALA 16 H ALA 16 4.787 -26.897 11.894 627 HA ALA 16 HA ALA 16 2.822 -24.968 12.837 628 1HB ALA 16 1HB ALA 16 4.743 -25.593 14.263 629 2HB ALA 16 2HB ALA 16 4.708 -23.857 13.909 630 3HB ALA 16 3HB ALA 16 5.844 -24.914 13.070 631 H SER 17 H SER 17 2.706 -22.860 12.137 632 HA SER 17 HA SER 17 4.387 -21.854 10.014 633 1HB SER 17 1HB SER 17 2.736 -23.154 8.729 634 2HB SER 17 2HB SER 17 1.432 -22.288 9.529 635 HG SER 17 HG SER 17 1.770 -20.579 8.296 636 H SER 18 H SER 18 4.924 -20.129 11.258 637 HA SER 18 HA SER 18 2.761 -18.403 12.251 638 1HB SER 18 1HB SER 18 5.580 -18.658 13.346 639 2HB SER 18 2HB SER 18 4.288 -17.655 14.008 640 HG SER 18 HG SER 18 3.536 -19.347 15.004 641 HA PRO 19 HA PRO 19 4.843 -15.636 9.245 642 1HB PRO 19 1HB PRO 19 2.648 -14.347 8.440 643 2HB PRO 19 2HB PRO 19 3.005 -15.985 7.873 644 1HG PRO 19 1HG PRO 19 1.101 -15.079 10.008 645 2HG PRO 19 2HG PRO 19 0.860 -16.313 8.756 646 1HD PRO 19 1HD PRO 19 1.563 -16.857 11.370 647 2HD PRO 19 2HD PRO 19 1.893 -17.932 9.990 648 H GLY 20 H GLY 20 5.152 -15.210 11.946 649 1HA GLY 20 1HA GLY 20 3.833 -12.808 12.839 650 2HA GLY 20 2HA GLY 20 5.073 -13.702 13.693 651 H GLY 21 H GLY 21 4.906 -12.008 10.566 652 1HA GLY 21 1HA GLY 21 7.432 -10.688 11.255 653 2HA GLY 21 2HA GLY 21 6.827 -10.925 9.632 654 H ALA 22 H ALA 22 7.014 -8.800 12.268 655 HA ALA 22 HA ALA 22 4.927 -7.026 11.218 656 1HB ALA 22 1HB ALA 22 6.513 -6.933 13.787 657 2HB ALA 22 2HB ALA 22 4.821 -7.411 13.608 658 3HB ALA 22 3HB ALA 22 5.303 -5.748 13.300 659 H ARG 23 H ARG 23 5.588 -5.597 9.745 660 HA ARG 23 HA ARG 23 8.440 -4.789 9.755 661 1HB ARG 23 1HB ARG 23 8.081 -4.561 7.223 662 2HB ARG 23 2HB ARG 23 8.244 -6.188 7.899 663 1HG ARG 23 1HG ARG 23 5.752 -6.357 7.890 664 2HG ARG 23 2HG ARG 23 5.705 -4.802 7.053 665 1HD ARG 23 1HD ARG 23 6.772 -5.675 5.146 666 2HD ARG 23 2HD ARG 23 7.262 -7.146 6.001 667 HE ARG 23 HE ARG 23 4.713 -6.604 4.759 668 1HH1 ARG 23 1HH1 ARG 23 6.419 -8.574 7.124 669 2HH1 ARG 23 2HH1 ARG 23 5.253 -9.863 7.059 670 1HH2 ARG 23 1HH2 ARG 23 3.220 -8.344 4.665 671 2HH2 ARG 23 2HH2 ARG 23 3.473 -9.753 5.658 672 H ALA 24 H ALA 24 8.926 -2.702 9.449 673 HA ALA 24 HA ALA 24 6.712 -0.781 9.265 674 1HB ALA 24 1HB ALA 24 7.977 -0.603 11.333 675 2HB ALA 24 2HB ALA 24 8.209 0.833 10.334 676 3HB ALA 24 3HB ALA 24 9.472 -0.388 10.415 677 H VAL 25 H VAL 25 6.461 0.063 7.319 678 HA VAL 25 HA VAL 25 8.806 0.397 5.565 679 HB VAL 25 HB VAL 25 7.226 0.346 3.658 680 1HG1 VAL 25 1HG1 VAL 25 6.662 -2.037 3.750 681 2HG1 VAL 25 2HG1 VAL 25 6.991 -2.065 5.488 682 3HG1 VAL 25 3HG1 VAL 25 8.301 -1.739 4.335 683 1HG2 VAL 25 1HG2 VAL 25 5.142 -0.170 5.792 684 2HG2 VAL 25 2HG2 VAL 25 4.878 -0.404 4.060 685 3HG2 VAL 25 3HG2 VAL 25 5.216 1.209 4.682 686 H SER 26 H SER 26 9.033 2.395 4.448 687 HA SER 26 HA SER 26 7.565 4.578 5.761 688 1HB SER 26 1HB SER 26 9.578 5.956 5.132 689 2HB SER 26 2HB SER 26 9.894 4.655 6.288 690 HG SER 26 HG SER 26 10.807 3.441 4.650 691 H ILE 27 H ILE 27 7.255 6.517 4.537 692 HA ILE 27 HA ILE 27 6.816 6.128 1.638 693 HB ILE 27 HB ILE 27 4.883 7.467 3.555 694 1HG1 ILE 27 1HG1 ILE 27 3.238 5.840 2.432 695 2HG1 ILE 27 2HG1 ILE 27 4.657 5.005 1.796 696 1HG2 ILE 27 1HG2 ILE 27 5.110 8.818 1.533 697 2HG2 ILE 27 2HG2 ILE 27 3.524 8.045 1.589 698 3HG2 ILE 27 3HG2 ILE 27 4.784 7.404 0.525 699 1HD1 ILE 27 1HD1 ILE 27 3.753 3.943 3.797 700 2HD1 ILE 27 2HD1 ILE 27 4.037 5.420 4.722 701 3HD1 ILE 27 3HD1 ILE 27 5.404 4.526 4.050 702 H VAL 28 H VAL 28 7.685 7.699 0.452 703 HA VAL 28 HA VAL 28 8.856 9.980 1.912 704 HB VAL 28 HB VAL 28 10.426 10.199 -0.035 705 1HG1 VAL 28 1HG1 VAL 28 10.473 7.539 1.445 706 2HG1 VAL 28 2HG1 VAL 28 11.121 9.086 2.029 707 3HG1 VAL 28 3HG1 VAL 28 11.848 8.293 0.615 708 1HG2 VAL 28 1HG2 VAL 28 9.069 8.999 -1.711 709 2HG2 VAL 28 2HG2 VAL 28 9.275 7.498 -0.819 710 3HG2 VAL 28 3HG2 VAL 28 10.662 8.288 -1.550 711 H GLY 29 H GLY 29 7.491 11.621 1.819 712 1HA GLY 29 1HA GLY 29 6.411 13.431 0.863 713 2HA GLY 29 2HA GLY 29 6.857 12.824 -0.730 714 H ASN 30 H ASN 30 5.670 10.926 -1.504 715 HA ASN 30 HA ASN 30 3.149 10.257 -0.233 716 1HB ASN 30 1HB ASN 30 1.708 10.876 -2.079 717 2HB ASN 30 2HB ASN 30 2.582 12.306 -1.545 718 1HD2 ASN 30 2HD2 ASN 30 1.324 11.765 -4.099 719 2HD2 ASN 30 1HD2 ASN 30 2.555 11.901 -5.298 720 H GLN 31 H GLN 31 5.800 9.159 -1.438 721 HA GLN 31 HA GLN 31 4.570 7.137 -3.193 722 1HB GLN 31 1HB GLN 31 6.068 8.741 -4.412 723 2HB GLN 31 2HB GLN 31 7.413 8.197 -3.410 724 1HG GLN 31 1HG GLN 31 7.131 5.927 -4.308 725 2HG GLN 31 2HG GLN 31 5.823 6.505 -5.337 726 1HE2 GLN 31 2HE2 GLN 31 9.232 6.388 -4.855 727 2HE2 GLN 31 1HE2 GLN 31 9.677 7.109 -6.355 728 H ILE 32 H ILE 32 5.645 5.081 -3.208 729 HA ILE 32 HA ILE 32 7.323 4.329 -1.038 730 HB ILE 32 HB ILE 32 5.163 4.314 0.216 731 1HG1 ILE 32 1HG1 ILE 32 6.215 1.514 -0.310 732 2HG1 ILE 32 2HG1 ILE 32 6.945 2.673 0.788 733 1HG2 ILE 32 1HG2 ILE 32 3.690 3.851 -1.718 734 2HG2 ILE 32 2HG2 ILE 32 3.378 2.773 -0.374 735 3HG2 ILE 32 3HG2 ILE 32 4.290 2.196 -1.767 736 1HD1 ILE 32 1HD1 ILE 32 4.825 2.664 2.092 737 2HD1 ILE 32 2HD1 ILE 32 5.661 1.118 2.042 738 3HD1 ILE 32 3HD1 ILE 32 4.238 1.371 1.044 739 H ASP 33 H ASP 33 8.384 2.456 -1.568 740 HA ASP 33 HA ASP 33 7.887 1.465 -4.267 741 1HB ASP 33 1HB ASP 33 10.202 2.002 -3.424 742 2HB ASP 33 2HB ASP 33 10.081 0.603 -2.347 743 H SER 34 H SER 34 7.145 -0.484 -4.806 744 HA SER 34 HA SER 34 5.395 -1.773 -3.023 745 1HB SER 34 1HB SER 34 5.326 -3.547 -4.878 746 2HB SER 34 2HB SER 34 4.897 -1.901 -5.346 747 HG SER 34 HG SER 34 7.045 -1.662 -6.130 748 H ARG 35 H ARG 35 8.762 -2.396 -3.756 749 HA ARG 35 HA ARG 35 8.877 -5.117 -3.021 750 1HB ARG 35 1HB ARG 35 10.686 -4.066 -4.281 751 2HB ARG 35 2HB ARG 35 11.041 -2.984 -2.937 752 1HG ARG 35 1HG ARG 35 12.661 -4.789 -3.012 753 2HG ARG 35 2HG ARG 35 11.706 -4.889 -1.537 754 1HD ARG 35 1HD ARG 35 10.229 -6.539 -2.821 755 2HD ARG 35 2HD ARG 35 11.522 -6.589 -4.011 756 HE ARG 35 HE ARG 35 12.855 -7.126 -1.744 757 1HH1 ARG 35 1HH1 ARG 35 9.905 -8.431 -3.117 758 2HH1 ARG 35 2HH1 ARG 35 10.094 -9.987 -2.359 759 1HH2 ARG 35 1HH2 ARG 35 13.151 -9.198 -0.822 760 2HH2 ARG 35 2HH2 ARG 35 11.945 -10.410 -1.047 761 H GLU 36 H GLU 36 9.078 -2.141 -1.189 762 HA GLU 36 HA GLU 36 9.967 -3.154 1.269 763 1HB GLU 36 1HB GLU 36 8.036 -0.846 0.814 764 2HB GLU 36 2HB GLU 36 8.994 -1.138 2.273 765 1HG GLU 36 1HG GLU 36 10.118 -0.517 -0.466 766 2HG GLU 36 2HG GLU 36 9.968 0.614 0.865 767 H LEU 37 H LEU 37 6.707 -2.887 -0.069 768 HA LEU 37 HA LEU 37 5.372 -3.785 2.291 769 1HB LEU 37 1HB LEU 37 4.446 -3.732 -0.592 770 2HB LEU 37 2HB LEU 37 3.412 -4.010 0.790 771 HG LEU 37 HG LEU 37 4.914 -1.434 0.280 772 1HD1 LEU 37 1HD1 LEU 37 3.173 -1.735 -1.374 773 2HD1 LEU 37 2HD1 LEU 37 2.695 -0.484 -0.243 774 3HD1 LEU 37 3HD1 LEU 37 2.000 -2.108 -0.110 775 1HD2 LEU 37 1HD2 LEU 37 4.522 -1.877 2.659 776 2HD2 LEU 37 2HD2 LEU 37 2.805 -2.140 2.331 777 3HD2 LEU 37 3HD2 LEU 37 3.518 -0.541 2.102 778 H PHE 38 H PHE 38 6.262 -5.320 -0.801 779 HA PHE 38 HA PHE 38 5.350 -7.906 0.155 780 1HB PHE 38 1HB PHE 38 6.521 -7.087 -2.529 781 2HB PHE 38 2HB PHE 38 5.722 -8.616 -2.164 782 HD1 PHE 38 HD2 PHE 38 3.278 -8.380 -1.185 783 HD2 PHE 38 HD1 PHE 38 5.265 -5.439 -3.547 784 HE1 PHE 38 HE2 PHE 38 1.104 -7.404 -1.815 785 HE2 PHE 38 HE1 PHE 38 3.085 -4.479 -4.182 786 HZ PHE 38 HZ PHE 38 1.013 -5.447 -3.314 787 H THR 39 H THR 39 7.737 -6.600 1.299 788 HA THR 39 HA THR 39 10.152 -7.599 0.356 789 HB THR 39 HB THR 39 10.011 -5.823 2.032 790 HG1 THR 39 HG1 THR 39 11.873 -6.377 2.871 791 1HG2 THR 39 1HG2 THR 39 8.135 -6.718 3.343 792 2HG2 THR 39 2HG2 THR 39 9.506 -6.304 4.370 793 3HG2 THR 39 3HG2 THR 39 9.192 -7.997 3.977 794 H VAL 40 H VAL 40 7.658 -9.190 2.233 795 HA VAL 40 HA VAL 40 9.208 -11.669 2.102 796 HB VAL 40 HB VAL 40 9.532 -10.892 4.370 797 1HG1 VAL 40 1HG1 VAL 40 7.603 -9.386 4.518 798 2HG1 VAL 40 2HG1 VAL 40 7.714 -10.463 5.906 799 3HG1 VAL 40 3HG1 VAL 40 6.536 -10.792 4.640 800 1HG2 VAL 40 1HG2 VAL 40 8.575 -12.781 5.637 801 2HG2 VAL 40 2HG2 VAL 40 9.284 -13.293 4.102 802 3HG2 VAL 40 3HG2 VAL 40 7.531 -13.170 4.271 803 H ASP 41 H ASP 41 6.032 -10.157 2.693 804 HA ASP 41 HA ASP 41 4.712 -12.590 1.688 805 1HB ASP 41 1HB ASP 41 3.633 -10.188 3.183 806 2HB ASP 41 2HB ASP 41 2.592 -11.396 2.451 807 H ARG 42 H ARG 42 4.558 -12.601 -0.416 808 HA ARG 42 HA ARG 42 4.412 -10.383 -2.126 809 1HB ARG 42 1HB ARG 42 5.280 -12.516 -2.844 810 2HB ARG 42 2HB ARG 42 3.722 -13.290 -2.601 811 1HG ARG 42 1HG ARG 42 2.776 -12.082 -4.442 812 2HG ARG 42 2HG ARG 42 4.216 -11.087 -4.609 813 1HD ARG 42 1HD ARG 42 4.349 -14.086 -4.893 814 2HD ARG 42 2HD ARG 42 3.904 -13.043 -6.236 815 HE ARG 42 HE ARG 42 6.078 -12.036 -6.077 816 1HH1 ARG 42 1HH1 ARG 42 5.665 -14.989 -4.273 817 2HH1 ARG 42 2HH1 ARG 42 7.354 -15.370 -4.285 818 1HH2 ARG 42 1HH2 ARG 42 8.295 -12.504 -6.097 819 2HH2 ARG 42 2HH2 ARG 42 8.863 -13.957 -5.323 820 H GLU 43 H GLU 43 2.138 -11.126 -0.015 821 HA GLU 43 HA GLU 43 0.113 -9.743 -1.573 822 1HB GLU 43 1HB GLU 43 -0.547 -12.106 -1.661 823 2HB GLU 43 2HB GLU 43 -0.471 -12.215 0.095 824 1HG GLU 43 1HG GLU 43 -2.269 -10.514 0.241 825 2HG GLU 43 2HG GLU 43 -2.381 -10.538 -1.520 826 H ILE 44 H ILE 44 -0.901 -8.168 -0.469 827 HA ILE 44 HA ILE 44 -0.514 -8.017 2.458 828 HB ILE 44 HB ILE 44 -0.258 -5.753 0.442 829 1HG1 ILE 44 1HG1 ILE 44 1.775 -7.142 0.596 830 2HG1 ILE 44 2HG1 ILE 44 2.052 -5.535 1.244 831 1HG2 ILE 44 1HG2 ILE 44 0.244 -4.309 2.381 832 2HG2 ILE 44 2HG2 ILE 44 -0.174 -5.640 3.460 833 3HG2 ILE 44 3HG2 ILE 44 -1.404 -4.949 2.412 834 1HD1 ILE 44 1HD1 ILE 44 1.858 -6.432 3.510 835 2HD1 ILE 44 2HD1 ILE 44 3.141 -7.232 2.592 836 3HD1 ILE 44 3HD1 ILE 44 1.591 -8.042 2.833 837 H VAL 45 H VAL 45 -2.296 -7.284 3.581 838 HA VAL 45 HA VAL 45 -4.749 -6.944 2.003 839 HB VAL 45 HB VAL 45 -4.480 -7.705 4.921 840 1HG1 VAL 45 1HG1 VAL 45 -6.939 -7.567 3.163 841 2HG1 VAL 45 2HG1 VAL 45 -6.558 -6.467 4.478 842 3HG1 VAL 45 3HG1 VAL 45 -6.890 -8.166 4.819 843 1HG2 VAL 45 1HG2 VAL 45 -5.242 -9.425 2.564 844 2HG2 VAL 45 2HG2 VAL 45 -5.222 -9.918 4.253 845 3HG2 VAL 45 3HG2 VAL 45 -3.721 -9.489 3.441 846 H ILE 46 H ILE 46 -5.081 -4.829 1.664 847 HA ILE 46 HA ILE 46 -4.541 -2.859 3.712 848 HB ILE 46 HB ILE 46 -5.861 -2.450 1.019 849 1HG1 ILE 46 1HG1 ILE 46 -2.942 -2.092 1.811 850 2HG1 ILE 46 2HG1 ILE 46 -3.567 -3.400 0.812 851 1HG2 ILE 46 1HG2 ILE 46 -5.271 -0.102 1.323 852 2HG2 ILE 46 2HG2 ILE 46 -4.546 -0.479 2.894 853 3HG2 ILE 46 3HG2 ILE 46 -6.291 -0.656 2.662 854 1HD1 ILE 46 1HD1 ILE 46 -4.249 -1.795 -0.876 855 2HD1 ILE 46 2HD1 ILE 46 -2.525 -1.708 -0.540 856 3HD1 ILE 46 3HD1 ILE 46 -3.619 -0.488 0.112 857 H ALA 47 H ALA 47 -5.989 -2.910 5.391 858 HA ALA 47 HA ALA 47 -8.788 -3.473 4.924 859 1HB ALA 47 1HB ALA 47 -7.659 -4.402 6.903 860 2HB ALA 47 2HB ALA 47 -8.994 -3.344 7.364 861 3HB ALA 47 3HB ALA 47 -7.331 -2.772 7.470 862 H HIS 48 H HIS 48 -10.465 -2.005 5.069 863 HA HIS 48 HA HIS 48 -9.905 0.768 5.820 864 1HB HIS 48 1HB HIS 48 -9.372 0.768 3.444 865 2HB HIS 48 2HB HIS 48 -10.925 0.038 3.065 866 HD1 HIS 48 HD1 HIS 48 -9.638 3.220 4.709 867 HD2 HIS 48 HD2 HIS 48 -12.875 1.845 2.502 868 HE1 HIS 48 HE1 HIS 48 -11.091 5.233 4.289 869 HE2 HIS 48 HE2 HIS 48 -13.138 4.321 3.180 870 H GLY 49 H GLY 49 -11.405 0.756 7.470 871 1HA GLY 49 1HA GLY 49 -13.526 1.423 8.125 872 2HA GLY 49 2HA GLY 49 -14.142 0.978 6.542 873 H ASP 50 H ASP 50 -15.355 -0.767 6.471 874 HA ASP 50 HA ASP 50 -15.084 -2.788 8.592 875 1HB ASP 50 1HB ASP 50 -17.328 -1.839 8.318 876 2HB ASP 50 2HB ASP 50 -17.329 -2.308 6.629 877 H ASP 51 H ASP 51 -14.420 -2.226 5.272 878 HA ASP 51 HA ASP 51 -14.498 -5.076 4.621 879 1HB ASP 51 1HB ASP 51 -15.738 -3.566 3.123 880 2HB ASP 51 2HB ASP 51 -14.282 -2.602 2.857 881 H ARG 52 H ARG 52 -12.703 -5.737 3.054 882 HA ARG 52 HA ARG 52 -10.128 -4.623 3.852 883 1HB ARG 52 1HB ARG 52 -10.966 -7.518 4.109 884 2HB ARG 52 2HB ARG 52 -9.290 -7.002 4.118 885 1HG ARG 52 1HG ARG 52 -9.665 -5.668 6.113 886 2HG ARG 52 2HG ARG 52 -11.385 -6.063 6.068 887 1HD ARG 52 1HD ARG 52 -10.923 -8.388 6.503 888 2HD ARG 52 2HD ARG 52 -9.192 -8.100 6.379 889 HE ARG 52 HE ARG 52 -9.594 -6.544 8.378 890 1HH1 ARG 52 1HH1 ARG 52 -11.378 -9.505 7.818 891 2HH1 ARG 52 2HH1 ARG 52 -11.744 -9.765 9.495 892 1HH2 ARG 52 1HH2 ARG 52 -10.007 -6.888 10.597 893 2HH2 ARG 52 2HH2 ARG 52 -10.941 -8.280 11.070 894 H TYR 53 H TYR 53 -8.697 -4.520 2.256 895 HA TYR 53 HA TYR 53 -9.445 -5.643 -0.362 896 1HB TYR 53 1HB TYR 53 -7.628 -3.326 0.343 897 2HB TYR 53 2HB TYR 53 -7.938 -3.903 -1.288 898 HD1 TYR 53 HD1 TYR 53 -9.864 -2.730 1.707 899 HD2 TYR 53 HD2 TYR 53 -9.493 -2.735 -2.534 900 HE1 TYR 53 HE1 TYR 53 -11.779 -1.189 1.541 901 HE2 TYR 53 HE2 TYR 53 -11.387 -1.189 -2.711 902 HH TYR 53 HH TYR 53 -13.292 -0.481 -1.463 903 H ARG 54 H ARG 54 -7.605 -6.304 -1.721 904 HA ARG 54 HA ARG 54 -5.308 -7.292 -0.157 905 1HB ARG 54 1HB ARG 54 -6.826 -8.762 -2.332 906 2HB ARG 54 2HB ARG 54 -5.223 -9.247 -1.797 907 1HG ARG 54 1HG ARG 54 -6.217 -9.489 0.522 908 2HG ARG 54 2HG ARG 54 -7.800 -9.284 -0.243 909 1HD ARG 54 1HD ARG 54 -7.313 -11.214 -1.700 910 2HD ARG 54 2HD ARG 54 -5.748 -11.413 -0.920 911 HE ARG 54 HE ARG 54 -8.206 -11.582 0.678 912 1HH1 ARG 54 1HH1 ARG 54 -5.299 -13.089 -0.610 913 2HH1 ARG 54 2HH1 ARG 54 -5.510 -14.557 0.298 914 1HH2 ARG 54 1HH2 ARG 54 -8.440 -13.505 1.907 915 2HH2 ARG 54 2HH2 ARG 54 -7.290 -14.791 1.756 916 H LEU 55 H LEU 55 -3.654 -5.997 -0.818 917 HA LEU 55 HA LEU 55 -3.334 -5.389 -3.644 918 1HB LEU 55 1HB LEU 55 -2.875 -3.654 -1.869 919 2HB LEU 55 2HB LEU 55 -1.620 -4.702 -1.235 920 HG LEU 55 HG LEU 55 -0.480 -4.525 -3.458 921 1HD1 LEU 55 1HD1 LEU 55 -2.523 -2.340 -3.882 922 2HD1 LEU 55 2HD1 LEU 55 -2.343 -3.818 -4.827 923 3HD1 LEU 55 3HD1 LEU 55 -1.084 -2.592 -4.877 924 1HD2 LEU 55 1HD2 LEU 55 0.503 -2.340 -2.978 925 2HD2 LEU 55 2HD2 LEU 55 0.267 -3.266 -1.487 926 3HD2 LEU 55 3HD2 LEU 55 -0.850 -1.954 -1.906 927 H ARG 56 H ARG 56 -2.358 -6.916 -4.846 928 HA ARG 56 HA ARG 56 -0.609 -8.832 -3.430 929 1HB ARG 56 1HB ARG 56 -2.875 -9.790 -3.784 930 2HB ARG 56 2HB ARG 56 -2.674 -9.543 -5.518 931 1HG ARG 56 1HG ARG 56 -0.828 -11.115 -5.580 932 2HG ARG 56 2HG ARG 56 -0.914 -11.316 -3.826 933 1HD ARG 56 1HD ARG 56 -3.162 -12.242 -4.018 934 2HD ARG 56 2HD ARG 56 -3.115 -12.013 -5.772 935 HE ARG 56 HE ARG 56 -1.268 -13.651 -5.813 936 1HH1 ARG 56 1HH1 ARG 56 -3.348 -13.579 -2.989 937 2HH1 ARG 56 2HH1 ARG 56 -3.070 -15.247 -2.592 938 1HH2 ARG 56 1HH2 ARG 56 -0.897 -15.848 -5.253 939 2HH2 ARG 56 2HH2 ARG 56 -1.662 -16.520 -3.856 940 H LEU 57 H LEU 57 1.102 -9.607 -4.506 941 HA LEU 57 HA LEU 57 1.827 -8.142 -6.960 942 1HB LEU 57 1HB LEU 57 3.198 -7.697 -4.926 943 2HB LEU 57 2HB LEU 57 3.608 -9.399 -4.834 944 HG LEU 57 HG LEU 57 4.693 -9.170 -7.095 945 1HD1 LEU 57 1HD1 LEU 57 4.381 -6.216 -6.563 946 2HD1 LEU 57 2HD1 LEU 57 3.578 -7.122 -7.846 947 3HD1 LEU 57 3HD1 LEU 57 5.332 -6.935 -7.869 948 1HD2 LEU 57 1HD2 LEU 57 6.730 -8.119 -6.237 949 2HD2 LEU 57 2HD2 LEU 57 6.023 -9.239 -5.071 950 3HD2 LEU 57 3HD2 LEU 57 5.827 -7.500 -4.860 951 H THR 58 H THR 58 2.829 -9.269 -8.620 952 HA THR 58 HA THR 58 2.599 -12.211 -8.520 953 HB THR 58 HB THR 58 2.869 -12.090 -11.015 954 HG1 THR 58 HG1 THR 58 2.593 -9.282 -10.608 955 1HG2 THR 58 1HG2 THR 58 0.625 -12.188 -10.164 956 2HG2 THR 58 2HG2 THR 58 0.658 -11.006 -11.480 957 3HG2 THR 58 3HG2 THR 58 0.634 -10.455 -9.801 958 H SER 59 H SER 59 4.426 -13.456 -9.227 959 HA SER 59 HA SER 59 6.575 -13.722 -8.077 960 1HB SER 59 1HB SER 59 6.287 -14.689 -10.320 961 2HB SER 59 2HB SER 59 6.906 -13.200 -11.035 962 HG SER 59 HG SER 59 8.274 -15.272 -10.182 963 H GLN 60 H GLN 60 7.355 -11.432 -10.649 964 HA GLN 60 HA GLN 60 8.102 -9.361 -8.722 965 1HB GLN 60 1HB GLN 60 9.976 -10.517 -10.799 966 2HB GLN 60 2HB GLN 60 10.247 -8.980 -10.008 967 1HG GLN 60 1HG GLN 60 10.049 -11.635 -8.574 968 2HG GLN 60 2HG GLN 60 11.552 -10.823 -9.009 969 1HE2 GLN 60 2HE2 GLN 60 10.569 -11.545 -6.401 970 2HE2 GLN 60 1HE2 GLN 60 10.486 -10.082 -5.477 971 H ASN 61 H ASN 61 6.295 -10.205 -11.175 972 HA ASN 61 HA ASN 61 6.951 -8.468 -13.308 973 1HB ASN 61 1HB ASN 61 5.734 -10.545 -13.662 974 2HB ASN 61 2HB ASN 61 4.401 -9.955 -12.676 975 1HD2 ASN 61 2HD2 ASN 61 6.221 -8.186 -15.143 976 2HD2 ASN 61 1HD2 ASN 61 4.870 -7.943 -16.202 977 H LYS 62 H LYS 62 3.906 -8.431 -11.472 978 HA LYS 62 HA LYS 62 4.035 -5.556 -11.131 979 1HB LYS 62 1HB LYS 62 1.775 -5.276 -12.306 980 2HB LYS 62 2HB LYS 62 3.167 -5.507 -13.336 981 1HG LYS 62 1HG LYS 62 1.459 -6.812 -14.266 982 2HG LYS 62 2HG LYS 62 2.549 -7.957 -13.486 983 1HD LYS 62 1HD LYS 62 1.053 -8.124 -11.582 984 2HD LYS 62 2HD LYS 62 -0.041 -6.950 -12.317 985 1HE LYS 62 1HE LYS 62 -0.791 -9.290 -12.613 986 2HE LYS 62 2HE LYS 62 -0.514 -8.454 -14.141 987 1HZ LYS 62 1HZ LYS 62 1.426 -10.298 -12.832 988 2HZ LYS 62 2HZ LYS 62 1.607 -9.571 -14.353 989 3HZ LYS 62 3HZ LYS 62 0.394 -10.732 -14.106 990 H LEU 63 H LEU 63 1.615 -4.871 -10.305 991 HA LEU 63 HA LEU 63 0.699 -6.934 -8.444 992 1HB LEU 63 1HB LEU 63 0.600 -5.366 -6.568 993 2HB LEU 63 2HB LEU 63 2.239 -5.640 -7.101 994 HG LEU 63 HG LEU 63 0.708 -3.203 -8.015 995 1HD1 LEU 63 1HD1 LEU 63 1.788 -1.965 -6.176 996 2HD1 LEU 63 2HD1 LEU 63 2.350 -3.486 -5.486 997 3HD1 LEU 63 3HD1 LEU 63 0.613 -3.151 -5.598 998 1HD2 LEU 63 1HD2 LEU 63 3.650 -3.795 -7.699 999 2HD2 LEU 63 2HD2 LEU 63 2.950 -2.276 -8.273 1000 3HD2 LEU 63 3HD2 LEU 63 2.753 -3.760 -9.218 1001 H ILE 64 H ILE 64 -1.335 -6.193 -7.321 1002 HA ILE 64 HA ILE 64 -3.019 -4.428 -8.893 1003 HB ILE 64 HB ILE 64 -4.809 -6.269 -9.094 1004 1HG1 ILE 64 1HG1 ILE 64 -3.677 -8.568 -9.539 1005 2HG1 ILE 64 2HG1 ILE 64 -2.349 -7.947 -8.581 1006 1HG2 ILE 64 1HG2 ILE 64 -3.938 -6.998 -11.302 1007 2HG2 ILE 64 2HG2 ILE 64 -2.353 -6.357 -10.865 1008 3HG2 ILE 64 3HG2 ILE 64 -3.729 -5.269 -11.027 1009 1HD1 ILE 64 1HD1 ILE 64 -3.832 -7.673 -6.666 1010 2HD1 ILE 64 2HD1 ILE 64 -3.870 -9.339 -7.265 1011 3HD1 ILE 64 3HD1 ILE 64 -5.195 -8.231 -7.641 1012 H LEU 65 H LEU 65 -5.328 -4.444 -7.933 1013 HA LEU 65 HA LEU 65 -5.241 -4.967 -5.013 1014 1HB LEU 65 1HB LEU 65 -4.904 -2.529 -5.512 1015 2HB LEU 65 2HB LEU 65 -6.422 -2.528 -6.356 1016 HG LEU 65 HG LEU 65 -7.571 -3.171 -4.216 1017 1HD1 LEU 65 1HD1 LEU 65 -4.874 -2.635 -3.008 1018 2HD1 LEU 65 2HD1 LEU 65 -5.682 -4.192 -3.075 1019 3HD1 LEU 65 3HD1 LEU 65 -6.377 -2.891 -2.103 1020 1HD2 LEU 65 1HD2 LEU 65 -6.000 -0.578 -4.194 1021 2HD2 LEU 65 2HD2 LEU 65 -7.428 -0.949 -3.217 1022 3HD2 LEU 65 3HD2 LEU 65 -7.559 -0.858 -4.974 1023 H THR 66 H THR 66 -6.799 -6.422 -4.587 1024 HA THR 66 HA THR 66 -9.319 -6.298 -6.085 1025 HB THR 66 HB THR 66 -7.861 -7.973 -7.188 1026 HG1 THR 66 HG1 THR 66 -10.076 -8.410 -7.260 1027 1HG2 THR 66 1HG2 THR 66 -6.536 -8.632 -5.221 1028 2HG2 THR 66 2HG2 THR 66 -7.266 -10.035 -6.015 1029 3HG2 THR 66 3HG2 THR 66 -7.965 -9.399 -4.530 1030 H LYS 67 H LYS 67 -11.101 -7.227 -5.022 1031 HA LYS 67 HA LYS 67 -10.791 -8.645 -2.569 1032 1HB LYS 67 1HB LYS 67 -12.582 -6.939 -1.506 1033 2HB LYS 67 2HB LYS 67 -10.838 -6.817 -1.248 1034 1HG LYS 67 1HG LYS 67 -11.601 -4.633 -1.742 1035 2HG LYS 67 2HG LYS 67 -10.799 -5.205 -3.203 1036 1HD LYS 67 1HD LYS 67 -12.797 -4.081 -3.865 1037 2HD LYS 67 2HD LYS 67 -13.060 -5.799 -4.090 1038 1HE LYS 67 1HE LYS 67 -15.009 -4.730 -3.083 1039 2HE LYS 67 2HE LYS 67 -14.325 -5.950 -2.038 1040 1HZ LYS 67 1HZ LYS 67 -13.281 -4.259 -0.701 1041 2HZ LYS 67 2HZ LYS 67 -14.930 -3.908 -0.841 1042 3HZ LYS 67 3HZ LYS 67 -13.813 -3.048 -1.747 Start of MODEL 5 1 1H MET 1 1H MET 1 41.902 5.723 -8.958 2 2H MET 1 2H MET 1 41.487 5.285 -10.533 3 3H MET 1 3H MET 1 41.583 4.100 -9.342 4 HA MET 1 HA MET 1 39.294 4.617 -9.844 5 1HB MET 1 1HB MET 1 38.496 5.081 -7.593 6 2HB MET 1 2HB MET 1 39.863 3.980 -7.531 7 1HG MET 1 1HG MET 1 41.347 5.802 -6.904 8 2HG MET 1 2HG MET 1 39.988 6.941 -7.012 9 1HE MET 1 1HE MET 1 37.709 5.822 -4.053 10 2HE MET 1 2HE MET 1 37.587 5.331 -5.739 11 3HE MET 1 3HE MET 1 37.959 7.014 -5.328 12 H MET 2 H MET 2 37.820 6.078 -10.492 13 HA MET 2 HA MET 2 37.718 8.755 -9.596 14 1HB MET 2 1HB MET 2 39.606 9.022 -11.133 15 2HB MET 2 2HB MET 2 38.647 8.358 -12.460 16 1HG MET 2 1HG MET 2 37.095 10.248 -12.297 17 2HG MET 2 2HG MET 2 38.025 10.900 -10.947 18 1HE MET 2 1HE MET 2 37.266 12.605 -13.489 19 2HE MET 2 2HE MET 2 38.794 13.424 -13.888 20 3HE MET 2 3HE MET 2 38.265 13.285 -12.202 21 H THR 3 H THR 3 35.678 7.433 -9.204 22 HA THR 3 HA THR 3 33.896 7.154 -11.454 23 HB THR 3 HB THR 3 33.206 7.166 -8.502 24 HG1 THR 3 HG1 THR 3 34.651 5.423 -9.852 25 1HG2 THR 3 1HG2 THR 3 31.257 7.534 -9.954 26 2HG2 THR 3 2HG2 THR 3 31.191 5.940 -9.219 27 3HG2 THR 3 3HG2 THR 3 31.687 6.110 -10.901 28 H ALA 4 H ALA 4 33.873 9.152 -12.438 29 HA ALA 4 HA ALA 4 33.275 11.539 -10.973 30 1HB ALA 4 1HB ALA 4 33.324 11.085 -13.960 31 2HB ALA 4 2HB ALA 4 34.716 11.557 -12.986 32 3HB ALA 4 3HB ALA 4 33.322 12.636 -13.136 33 H SER 5 H SER 5 31.302 10.798 -9.960 34 HA SER 5 HA SER 5 29.031 10.227 -11.651 35 1HB SER 5 1HB SER 5 27.838 10.049 -9.395 36 2HB SER 5 2HB SER 5 29.166 8.916 -9.677 37 HG SER 5 HG SER 5 29.023 11.080 -7.929 38 H ASP 6 H ASP 6 29.716 12.582 -12.486 39 HA ASP 6 HA ASP 6 28.473 14.746 -11.048 40 1HB ASP 6 1HB ASP 6 29.547 14.579 -13.877 41 2HB ASP 6 2HB ASP 6 28.891 16.053 -13.157 42 H ARG 7 H ARG 7 26.551 15.831 -11.659 43 HA ARG 7 HA ARG 7 24.921 14.767 -13.781 44 1HB ARG 7 1HB ARG 7 22.980 14.303 -12.406 45 2HB ARG 7 2HB ARG 7 24.326 13.304 -11.906 46 1HG ARG 7 1HG ARG 7 24.721 14.750 -9.985 47 2HG ARG 7 2HG ARG 7 23.436 15.834 -10.523 48 1HD ARG 7 1HD ARG 7 21.797 14.018 -10.241 49 2HD ARG 7 2HD ARG 7 23.091 12.947 -9.707 50 HE ARG 7 HE ARG 7 23.264 15.054 -7.988 51 1HH1 ARG 7 1HH1 ARG 7 20.613 12.952 -8.969 52 2HH1 ARG 7 2HH1 ARG 7 19.789 13.111 -7.456 53 1HH2 ARG 7 1HH2 ARG 7 22.134 15.266 -6.024 54 2HH2 ARG 7 2HH2 ARG 7 20.630 14.442 -5.793 55 H LEU 8 H LEU 8 23.360 16.225 -14.511 56 HA LEU 8 HA LEU 8 23.736 18.972 -13.668 57 1HB LEU 8 1HB LEU 8 21.953 17.670 -15.759 58 2HB LEU 8 2HB LEU 8 21.943 19.384 -15.413 59 HG LEU 8 HG LEU 8 24.345 19.511 -16.080 60 1HD1 LEU 8 1HD1 LEU 8 25.031 17.215 -15.637 61 2HD1 LEU 8 2HD1 LEU 8 25.357 17.658 -17.305 62 3HD1 LEU 8 3HD1 LEU 8 23.958 16.635 -16.933 63 1HD2 LEU 8 1HD2 LEU 8 23.949 19.300 -18.502 64 2HD2 LEU 8 2HD2 LEU 8 22.612 20.107 -17.690 65 3HD2 LEU 8 3HD2 LEU 8 22.471 18.412 -18.160 66 H GLY 9 H GLY 9 21.352 20.178 -13.702 67 1HA GLY 9 1HA GLY 9 20.074 19.369 -11.280 68 2HA GLY 9 2HA GLY 9 19.525 20.644 -12.368 69 H ALA 10 H ALA 10 19.744 17.101 -12.225 70 HA ALA 10 HA ALA 10 17.350 16.870 -13.928 71 1HB ALA 10 1HB ALA 10 17.945 14.464 -13.995 72 2HB ALA 10 2HB ALA 10 19.325 14.785 -12.940 73 3HB ALA 10 3HB ALA 10 19.256 15.516 -14.547 74 H ASP 11 H ASP 11 18.438 16.363 -10.659 75 HA ASP 11 HA ASP 11 16.098 14.892 -9.852 76 1HB ASP 11 1HB ASP 11 17.071 14.953 -7.623 77 2HB ASP 11 2HB ASP 11 18.343 14.537 -8.780 78 HA PRO 12 HA PRO 12 13.657 18.487 -9.038 79 1HB PRO 12 1HB PRO 12 11.893 17.473 -7.255 80 2HB PRO 12 2HB PRO 12 11.847 17.055 -8.984 81 1HG PRO 12 1HG PRO 12 12.976 15.528 -6.655 82 2HG PRO 12 2HG PRO 12 12.034 14.933 -8.038 83 1HD PRO 12 1HD PRO 12 14.757 14.705 -7.863 84 2HD PRO 12 2HD PRO 12 13.896 14.844 -9.405 85 H THR 13 H THR 13 15.590 19.513 -7.959 86 HA THR 13 HA THR 13 15.453 19.629 -5.079 87 HB THR 13 HB THR 13 17.011 21.371 -7.001 88 HG1 THR 13 HG1 THR 13 17.478 18.949 -6.623 89 1HG2 THR 13 1HG2 THR 13 18.298 22.068 -5.037 90 2HG2 THR 13 2HG2 THR 13 17.235 21.115 -3.994 91 3HG2 THR 13 3HG2 THR 13 16.592 22.501 -4.875 92 H GLN 14 H GLN 14 13.206 20.200 -4.940 93 HA GLN 14 HA GLN 14 12.642 22.955 -4.722 94 1HB GLN 14 1HB GLN 14 12.507 22.808 -7.192 95 2HB GLN 14 2HB GLN 14 11.334 21.510 -7.055 96 1HG GLN 14 1HG GLN 14 9.749 23.038 -5.997 97 2HG GLN 14 2HG GLN 14 10.927 24.352 -6.101 98 1HE2 GLN 14 2HE2 GLN 14 11.342 25.300 -8.081 99 2HE2 GLN 14 1HE2 GLN 14 10.296 25.081 -9.451 100 H ALA 15 H ALA 15 10.523 23.284 -3.766 101 HA ALA 15 HA ALA 15 9.568 21.082 -2.238 102 1HB ALA 15 1HB ALA 15 7.975 22.645 -1.304 103 2HB ALA 15 2HB ALA 15 8.332 23.806 -2.577 104 3HB ALA 15 3HB ALA 15 9.571 23.407 -1.386 105 H ALA 16 H ALA 16 9.147 19.709 -4.149 106 HA ALA 16 HA ALA 16 6.899 20.320 -5.852 107 1HB ALA 16 1HB ALA 16 8.750 18.987 -6.687 108 2HB ALA 16 2HB ALA 16 7.266 18.062 -6.750 109 3HB ALA 16 3HB ALA 16 8.445 17.752 -5.479 110 H SER 17 H SER 17 5.111 18.598 -6.021 111 HA SER 17 HA SER 17 3.674 18.708 -3.562 112 1HB SER 17 1HB SER 17 3.015 17.337 -6.180 113 2HB SER 17 2HB SER 17 1.869 17.582 -4.844 114 HG SER 17 HG SER 17 2.734 19.928 -5.192 115 H SER 18 H SER 18 5.107 17.505 -2.214 116 HA SER 18 HA SER 18 4.189 14.778 -1.904 117 1HB SER 18 1HB SER 18 7.173 15.323 -2.115 118 2HB SER 18 2HB SER 18 6.425 13.774 -1.726 119 HG SER 18 HG SER 18 5.283 14.338 -3.923 120 HA PRO 19 HA PRO 19 4.832 17.120 2.021 121 1HB PRO 19 1HB PRO 19 2.393 16.797 3.089 122 2HB PRO 19 2HB PRO 19 2.675 17.953 1.774 123 1HG PRO 19 1HG PRO 19 1.500 15.196 1.652 124 2HG PRO 19 2HG PRO 19 0.981 16.683 0.835 125 1HD PRO 19 1HD PRO 19 2.542 14.703 -0.344 126 2HD PRO 19 2HD PRO 19 2.484 16.377 -0.886 127 H GLY 20 H GLY 20 4.521 16.442 4.347 128 1HA GLY 20 1HA GLY 20 4.328 14.835 6.030 129 2HA GLY 20 2HA GLY 20 4.131 13.595 4.815 130 H GLY 21 H GLY 21 6.601 14.724 3.433 131 1HA GLY 21 1HA GLY 21 8.875 14.376 3.431 132 2HA GLY 21 2HA GLY 21 8.812 14.327 5.183 133 H ALA 22 H ALA 22 10.069 12.504 5.544 134 HA ALA 22 HA ALA 22 9.399 10.019 4.154 135 1HB ALA 22 1HB ALA 22 11.499 10.619 6.237 136 2HB ALA 22 2HB ALA 22 11.765 10.544 4.501 137 3HB ALA 22 3HB ALA 22 11.318 9.086 5.395 138 H ARG 23 H ARG 23 7.724 8.870 4.907 139 HA ARG 23 HA ARG 23 7.104 9.147 7.788 140 1HB ARG 23 1HB ARG 23 4.755 8.896 7.304 141 2HB ARG 23 2HB ARG 23 5.416 10.173 6.289 142 1HG ARG 23 1HG ARG 23 5.550 8.539 4.415 143 2HG ARG 23 2HG ARG 23 4.757 7.351 5.449 144 1HD ARG 23 1HD ARG 23 3.020 8.253 4.147 145 2HD ARG 23 2HD ARG 23 2.885 9.074 5.700 146 HE ARG 23 HE ARG 23 4.438 10.756 4.297 147 1HH1 ARG 23 1HH1 ARG 23 1.368 9.204 3.580 148 2HH1 ARG 23 2HH1 ARG 23 0.823 10.460 2.510 149 1HH2 ARG 23 1HH2 ARG 23 3.701 12.433 2.860 150 2HH2 ARG 23 2HH2 ARG 23 2.146 12.277 2.109 151 H ALA 24 H ALA 24 6.928 7.345 9.007 152 HA ALA 24 HA ALA 24 7.373 4.755 7.694 153 1HB ALA 24 1HB ALA 24 8.991 5.353 9.423 154 2HB ALA 24 2HB ALA 24 8.034 3.982 9.961 155 3HB ALA 24 3HB ALA 24 7.691 5.594 10.584 156 H VAL 25 H VAL 25 5.712 3.450 7.452 157 HA VAL 25 HA VAL 25 3.361 3.738 9.218 158 HB VAL 25 HB VAL 25 1.999 2.852 7.345 159 1HG1 VAL 25 1HG1 VAL 25 1.981 4.891 6.002 160 2HG1 VAL 25 2HG1 VAL 25 3.577 5.339 6.622 161 3HG1 VAL 25 3HG1 VAL 25 2.190 5.282 7.709 162 1HG2 VAL 25 1HG2 VAL 25 2.983 2.871 5.062 163 2HG2 VAL 25 2HG2 VAL 25 3.646 1.616 6.121 164 3HG2 VAL 25 3HG2 VAL 25 4.586 3.079 5.790 165 H SER 26 H SER 26 2.369 1.844 9.956 166 HA SER 26 HA SER 26 4.199 -0.452 9.914 167 1HB SER 26 1HB SER 26 3.072 -1.058 12.097 168 2HB SER 26 2HB SER 26 3.952 0.473 12.100 169 HG SER 26 HG SER 26 2.066 1.595 12.027 170 H ILE 27 H ILE 27 3.458 -2.539 10.012 171 HA ILE 27 HA ILE 27 0.739 -3.080 8.991 172 HB ILE 27 HB ILE 27 3.322 -4.384 8.040 173 1HG1 ILE 27 1HG1 ILE 27 2.296 -3.783 5.761 174 2HG1 ILE 27 2HG1 ILE 27 1.209 -2.724 6.638 175 1HG2 ILE 27 1HG2 ILE 27 0.467 -5.206 7.430 176 2HG2 ILE 27 2HG2 ILE 27 1.647 -6.106 8.382 177 3HG2 ILE 27 3HG2 ILE 27 1.914 -5.862 6.660 178 1HD1 ILE 27 1HD1 ILE 27 3.088 -1.519 5.729 179 2HD1 ILE 27 2HD1 ILE 27 4.196 -2.555 6.635 180 3HD1 ILE 27 3HD1 ILE 27 3.102 -1.483 7.491 181 H VAL 28 H VAL 28 -0.298 -4.694 10.061 182 HA VAL 28 HA VAL 28 1.199 -6.022 12.216 183 HB VAL 28 HB VAL 28 -1.081 -6.629 13.111 184 1HG1 VAL 28 1HG1 VAL 28 0.146 -4.754 14.023 185 2HG1 VAL 28 2HG1 VAL 28 -1.562 -4.380 13.973 186 3HG1 VAL 28 3HG1 VAL 28 -0.481 -3.689 12.770 187 1HG2 VAL 28 1HG2 VAL 28 -2.072 -4.661 11.032 188 2HG2 VAL 28 2HG2 VAL 28 -3.055 -5.473 12.253 189 3HG2 VAL 28 3HG2 VAL 28 -2.311 -6.416 10.955 190 H GLY 29 H GLY 29 2.190 -7.730 11.264 191 1HA GLY 29 1HA GLY 29 2.263 -9.985 10.654 192 2HA GLY 29 2HA GLY 29 0.496 -9.976 10.502 193 H ASN 30 H ASN 30 -0.448 -9.103 8.620 194 HA ASN 30 HA ASN 30 1.273 -8.250 6.445 195 1HB ASN 30 1HB ASN 30 0.260 -9.828 4.815 196 2HB ASN 30 2HB ASN 30 1.185 -10.674 6.058 197 1HD2 ASN 30 2HD2 ASN 30 -1.992 -9.962 4.829 198 2HD2 ASN 30 1HD2 ASN 30 -2.822 -11.203 5.697 199 H GLN 31 H GLN 31 -0.927 -7.268 8.272 200 HA GLN 31 HA GLN 31 -2.755 -6.307 6.156 201 1HB GLN 31 1HB GLN 31 -3.906 -7.683 7.859 202 2HB GLN 31 2HB GLN 31 -3.351 -6.597 9.129 203 1HG GLN 31 1HG GLN 31 -4.605 -4.761 7.950 204 2HG GLN 31 2HG GLN 31 -5.282 -5.994 6.868 205 1HE2 GLN 31 2HE2 GLN 31 -5.352 -4.590 10.041 206 2HE2 GLN 31 1HE2 GLN 31 -6.702 -5.487 10.630 207 H ILE 32 H ILE 32 -2.273 -4.245 5.651 208 HA ILE 32 HA ILE 32 -1.481 -2.371 7.767 209 HB ILE 32 HB ILE 32 -0.084 -2.431 5.693 210 1HG1 ILE 32 1HG1 ILE 32 -1.580 0.172 6.143 211 2HG1 ILE 32 2HG1 ILE 32 -0.190 -0.385 7.064 212 1HG2 ILE 32 1HG2 ILE 32 -2.576 -1.351 4.358 213 2HG2 ILE 32 2HG2 ILE 32 -1.889 -2.953 4.101 214 3HG2 ILE 32 3HG2 ILE 32 -0.987 -1.512 3.613 215 1HD1 ILE 32 1HD1 ILE 32 -0.202 0.303 4.135 216 2HD1 ILE 32 2HD1 ILE 32 1.194 -0.264 5.057 217 3HD1 ILE 32 3HD1 ILE 32 0.462 1.292 5.442 218 H ASP 33 H ASP 33 -2.621 -0.293 7.903 219 HA ASP 33 HA ASP 33 -5.432 -0.550 7.027 220 1HB ASP 33 1HB ASP 33 -4.811 -0.396 9.561 221 2HB ASP 33 2HB ASP 33 -4.525 1.309 9.218 222 H SER 34 H SER 34 -6.513 1.299 6.254 223 HA SER 34 HA SER 34 -5.067 2.825 4.391 224 1HB SER 34 1HB SER 34 -7.857 3.269 5.482 225 2HB SER 34 2HB SER 34 -7.205 4.003 4.027 226 HG SER 34 HG SER 34 -7.271 1.205 4.403 227 H ARG 35 H ARG 35 -5.643 3.334 7.732 228 HA ARG 35 HA ARG 35 -5.669 6.199 7.776 229 1HB ARG 35 1HB ARG 35 -4.469 4.716 10.086 230 2HB ARG 35 2HB ARG 35 -5.585 6.069 10.080 231 1HG ARG 35 1HG ARG 35 -6.254 3.205 9.522 232 2HG ARG 35 2HG ARG 35 -6.597 4.094 10.995 233 1HD ARG 35 1HD ARG 35 -8.162 5.499 9.891 234 2HD ARG 35 2HD ARG 35 -7.712 4.866 8.303 235 HE ARG 35 HE ARG 35 -8.583 2.674 9.103 236 1HH1 ARG 35 1HH1 ARG 35 -9.812 5.666 10.492 237 2HH1 ARG 35 2HH1 ARG 35 -11.291 4.929 11.022 238 1HH2 ARG 35 1HH2 ARG 35 -10.504 1.736 9.807 239 2HH2 ARG 35 2HH2 ARG 35 -11.702 2.713 10.621 240 H GLU 36 H GLU 36 -3.122 3.754 7.990 241 HA GLU 36 HA GLU 36 -0.947 5.370 8.617 242 1HB GLU 36 1HB GLU 36 -1.073 2.845 6.956 243 2HB GLU 36 2HB GLU 36 0.404 3.558 7.577 244 1HG GLU 36 1HG GLU 36 -1.876 2.498 9.225 245 2HG GLU 36 2HG GLU 36 -0.349 1.677 8.939 246 H LEU 37 H LEU 37 -2.152 4.405 5.405 247 HA LEU 37 HA LEU 37 0.003 5.754 4.051 248 1HB LEU 37 1HB LEU 37 -2.534 4.480 3.025 249 2HB LEU 37 2HB LEU 37 -1.254 5.089 2.015 250 HG LEU 37 HG LEU 37 -0.922 2.841 3.998 251 1HD1 LEU 37 1HD1 LEU 37 -2.394 2.175 2.168 252 2HD1 LEU 37 2HD1 LEU 37 -0.828 1.351 2.067 253 3HD1 LEU 37 3HD1 LEU 37 -1.187 2.713 0.994 254 1HD2 LEU 37 1HD2 LEU 37 1.154 4.036 3.640 255 2HD2 LEU 37 2HD2 LEU 37 0.933 3.932 1.890 256 3HD2 LEU 37 3HD2 LEU 37 1.204 2.471 2.827 257 H PHE 38 H PHE 38 -3.508 6.253 4.308 258 HA PHE 38 HA PHE 38 -3.275 8.750 2.797 259 1HB PHE 38 1HB PHE 38 -5.731 7.243 3.774 260 2HB PHE 38 2HB PHE 38 -5.751 8.664 2.729 261 HD1 PHE 38 HD1 PHE 38 -4.535 8.445 0.459 262 HD2 PHE 38 HD2 PHE 38 -5.569 5.102 2.883 263 HE1 PHE 38 HE1 PHE 38 -4.339 6.972 -1.500 264 HE2 PHE 38 HE2 PHE 38 -5.378 3.632 0.926 265 HZ PHE 38 HZ PHE 38 -4.758 4.548 -1.258 266 H THR 39 H THR 39 -2.257 8.554 5.541 267 HA THR 39 HA THR 39 -3.997 9.852 7.339 268 HB THR 39 HB THR 39 -2.022 8.691 8.143 269 HG1 THR 39 HG1 THR 39 -2.857 10.589 9.304 270 1HG2 THR 39 1HG2 THR 39 0.239 9.651 7.869 271 2HG2 THR 39 2HG2 THR 39 -0.425 10.837 6.729 272 3HG2 THR 39 3HG2 THR 39 -0.470 9.105 6.347 273 H VAL 40 H VAL 40 -1.802 11.060 4.888 274 HA VAL 40 HA VAL 40 -2.676 13.823 5.482 275 HB VAL 40 HB VAL 40 -0.100 12.908 4.157 276 1HG1 VAL 40 1HG1 VAL 40 -0.953 14.965 3.109 277 2HG1 VAL 40 2HG1 VAL 40 0.496 15.285 4.058 278 3HG1 VAL 40 3HG1 VAL 40 -1.082 15.721 4.698 279 1HG2 VAL 40 1HG2 VAL 40 -0.085 12.627 6.572 280 2HG2 VAL 40 2HG2 VAL 40 -0.595 14.304 6.786 281 3HG2 VAL 40 3HG2 VAL 40 0.986 13.942 6.103 282 H ASP 41 H ASP 41 -1.415 11.897 2.746 283 HA ASP 41 HA ASP 41 -2.717 13.528 0.793 284 1HB ASP 41 1HB ASP 41 -1.498 10.788 0.403 285 2HB ASP 41 2HB ASP 41 -1.806 11.995 -0.845 286 H ARG 42 H ARG 42 -3.981 12.338 -1.017 287 HA ARG 42 HA ARG 42 -5.951 10.495 0.157 288 1HB ARG 42 1HB ARG 42 -6.805 12.862 -0.523 289 2HB ARG 42 2HB ARG 42 -6.523 12.349 -2.171 290 1HG ARG 42 1HG ARG 42 -8.771 11.897 -1.908 291 2HG ARG 42 2HG ARG 42 -8.040 10.336 -1.543 292 1HD ARG 42 1HD ARG 42 -9.040 12.375 0.442 293 2HD ARG 42 2HD ARG 42 -9.745 10.793 0.093 294 HE ARG 42 HE ARG 42 -7.354 10.066 0.971 295 1HH1 ARG 42 1HH1 ARG 42 -9.502 12.519 2.240 296 2HH1 ARG 42 2HH1 ARG 42 -8.918 12.371 3.871 297 1HH2 ARG 42 1HH2 ARG 42 -6.562 9.889 3.125 298 2HH2 ARG 42 2HH2 ARG 42 -7.227 10.903 4.350 299 H GLU 43 H GLU 43 -3.347 10.687 -1.658 300 HA GLU 43 HA GLU 43 -3.952 8.322 -3.187 301 1HB GLU 43 1HB GLU 43 -4.587 10.067 -4.780 302 2HB GLU 43 2HB GLU 43 -3.048 10.877 -4.549 303 1HG GLU 43 1HG GLU 43 -1.873 9.034 -5.564 304 2HG GLU 43 2HG GLU 43 -3.367 8.113 -5.715 305 H ILE 44 H ILE 44 -2.109 7.118 -3.588 306 HA ILE 44 HA ILE 44 0.418 8.142 -2.474 307 HB ILE 44 HB ILE 44 -0.749 5.372 -2.008 308 1HG1 ILE 44 1HG1 ILE 44 -1.807 7.099 -0.617 309 2HG1 ILE 44 2HG1 ILE 44 -0.818 6.021 0.380 310 1HG2 ILE 44 1HG2 ILE 44 1.249 4.993 -0.563 311 2HG2 ILE 44 2HG2 ILE 44 1.903 6.539 -1.093 312 3HG2 ILE 44 3HG2 ILE 44 1.675 5.244 -2.265 313 1HD1 ILE 44 1HD1 ILE 44 0.920 7.705 0.484 314 2HD1 ILE 44 2HD1 ILE 44 -0.618 8.355 1.053 315 3HD1 ILE 44 3HD1 ILE 44 -0.015 8.772 -0.549 316 H VAL 45 H VAL 45 2.286 7.359 -3.457 317 HA VAL 45 HA VAL 45 1.881 6.172 -6.102 318 HB VAL 45 HB VAL 45 4.287 7.661 -5.034 319 1HG1 VAL 45 1HG1 VAL 45 5.012 7.750 -7.411 320 2HG1 VAL 45 2HG1 VAL 45 3.679 6.664 -7.825 321 3HG1 VAL 45 3HG1 VAL 45 4.978 6.103 -6.763 322 1HG2 VAL 45 1HG2 VAL 45 3.554 9.471 -6.582 323 2HG2 VAL 45 2HG2 VAL 45 2.419 9.177 -5.264 324 3HG2 VAL 45 3HG2 VAL 45 2.075 8.563 -6.889 325 H ILE 46 H ILE 46 3.031 4.360 -6.749 326 HA ILE 46 HA ILE 46 4.524 2.906 -4.663 327 HB ILE 46 HB ILE 46 2.353 1.746 -6.422 328 1HG1 ILE 46 1HG1 ILE 46 2.485 1.975 -3.377 329 2HG1 ILE 46 2HG1 ILE 46 1.537 3.019 -4.433 330 1HG2 ILE 46 1HG2 ILE 46 4.184 0.152 -6.192 331 2HG2 ILE 46 2HG2 ILE 46 2.797 -0.393 -5.256 332 3HG2 ILE 46 3HG2 ILE 46 4.175 0.351 -4.433 333 1HD1 ILE 46 1HD1 ILE 46 1.171 0.041 -4.143 334 2HD1 ILE 46 2HD1 ILE 46 0.206 1.123 -5.163 335 3HD1 ILE 46 3HD1 ILE 46 0.160 1.291 -3.406 336 H ALA 47 H ALA 47 6.548 2.657 -5.539 337 HA ALA 47 HA ALA 47 6.817 2.383 -8.430 338 1HB ALA 47 1HB ALA 47 8.259 4.009 -7.272 339 2HB ALA 47 2HB ALA 47 9.204 2.729 -8.042 340 3HB ALA 47 3HB ALA 47 8.946 2.693 -6.295 341 H HIS 48 H HIS 48 7.620 0.621 -9.434 342 HA HIS 48 HA HIS 48 8.590 -1.663 -7.881 343 1HB HIS 48 1HB HIS 48 6.289 -2.235 -7.918 344 2HB HIS 48 2HB HIS 48 6.067 -1.658 -9.572 345 HD1 HIS 48 HD1 HIS 48 7.946 -4.451 -7.761 346 HD2 HIS 48 HD2 HIS 48 6.122 -3.636 -11.414 347 HE1 HIS 48 HE1 HIS 48 8.061 -6.599 -9.068 348 HE2 HIS 48 HE2 HIS 48 7.235 -5.976 -11.359 349 H GLY 49 H GLY 49 10.645 -1.456 -8.912 350 1HA GLY 49 1HA GLY 49 11.999 -2.411 -10.569 351 2HA GLY 49 2HA GLY 49 10.644 -2.382 -11.685 352 H ASP 50 H ASP 50 9.883 -0.291 -12.367 353 HA ASP 50 HA ASP 50 11.428 2.063 -11.788 354 1HB ASP 50 1HB ASP 50 12.760 1.161 -13.644 355 2HB ASP 50 2HB ASP 50 11.326 1.050 -14.644 356 H ASP 51 H ASP 51 8.677 0.392 -12.879 357 HA ASP 51 HA ASP 51 7.288 2.676 -13.980 358 1HB ASP 51 1HB ASP 51 6.882 0.341 -14.797 359 2HB ASP 51 2HB ASP 51 6.212 -0.067 -13.227 360 H ARG 52 H ARG 52 5.183 3.354 -12.997 361 HA ARG 52 HA ARG 52 5.328 3.329 -10.058 362 1HB ARG 52 1HB ARG 52 5.154 5.845 -11.762 363 2HB ARG 52 2HB ARG 52 5.038 5.808 -10.013 364 1HG ARG 52 1HG ARG 52 7.328 4.867 -9.915 365 2HG ARG 52 2HG ARG 52 7.431 5.022 -11.662 366 1HD ARG 52 1HD ARG 52 7.094 7.465 -11.443 367 2HD ARG 52 2HD ARG 52 7.071 7.292 -9.689 368 HE ARG 52 HE ARG 52 9.443 6.257 -11.036 369 1HH1 ARG 52 1HH1 ARG 52 7.956 9.001 -9.420 370 2HH1 ARG 52 2HH1 ARG 52 9.482 9.755 -9.060 371 1HH2 ARG 52 1HH2 ARG 52 11.428 7.247 -10.517 372 2HH2 ARG 52 2HH2 ARG 52 11.442 8.783 -9.696 373 H TYR 53 H TYR 53 3.460 3.173 -9.108 374 HA TYR 53 HA TYR 53 0.995 3.417 -10.737 375 1HB TYR 53 1HB TYR 53 1.452 1.676 -8.282 376 2HB TYR 53 2HB TYR 53 -0.008 1.734 -9.265 377 HD1 TYR 53 HD1 TYR 53 3.624 0.892 -9.436 378 HD2 TYR 53 HD2 TYR 53 -0.246 0.253 -11.077 379 HE1 TYR 53 HE1 TYR 53 4.511 -0.944 -10.801 380 HE2 TYR 53 HE2 TYR 53 0.616 -1.585 -12.455 381 HH TYR 53 HH TYR 53 2.923 -2.251 -13.398 382 H ARG 54 H ARG 54 -0.970 3.849 -9.265 383 HA ARG 54 HA ARG 54 -0.318 5.575 -7.005 384 1HB ARG 54 1HB ARG 54 -2.052 6.361 -9.367 385 2HB ARG 54 2HB ARG 54 -2.076 7.203 -7.826 386 1HG ARG 54 1HG ARG 54 0.403 7.637 -8.109 387 2HG ARG 54 2HG ARG 54 0.245 6.972 -9.751 388 1HD ARG 54 1HD ARG 54 -1.337 9.330 -8.698 389 2HD ARG 54 2HD ARG 54 0.164 9.473 -9.597 390 HE ARG 54 HE ARG 54 -1.196 8.112 -11.359 391 1HH1 ARG 54 1HH1 ARG 54 -2.454 10.629 -9.267 392 2HH1 ARG 54 2HH1 ARG 54 -3.533 11.256 -10.466 393 1HH2 ARG 54 1HH2 ARG 54 -2.662 8.894 -12.909 394 2HH2 ARG 54 2HH2 ARG 54 -3.674 10.247 -12.538 395 H LEU 55 H LEU 55 -1.212 4.509 -5.386 396 HA LEU 55 HA LEU 55 -3.818 3.280 -5.551 397 1HB LEU 55 1HB LEU 55 -2.000 2.381 -4.134 398 2HB LEU 55 2HB LEU 55 -2.066 3.822 -3.142 399 HG LEU 55 HG LEU 55 -4.365 3.261 -2.460 400 1HD1 LEU 55 1HD1 LEU 55 -5.064 2.007 -4.442 401 2HD1 LEU 55 2HD1 LEU 55 -5.276 1.045 -2.975 402 3HD1 LEU 55 3HD1 LEU 55 -3.917 0.723 -4.045 403 1HD2 LEU 55 1HD2 LEU 55 -2.325 1.065 -2.015 404 2HD2 LEU 55 2HD2 LEU 55 -3.765 1.327 -1.034 405 3HD2 LEU 55 3HD2 LEU 55 -2.496 2.545 -1.069 406 H ARG 56 H ARG 56 -5.581 4.529 -5.586 407 HA ARG 56 HA ARG 56 -5.471 7.164 -4.264 408 1HB ARG 56 1HB ARG 56 -5.753 7.296 -6.698 409 2HB ARG 56 2HB ARG 56 -7.169 6.252 -6.605 410 1HG ARG 56 1HG ARG 56 -8.372 7.962 -5.361 411 2HG ARG 56 2HG ARG 56 -6.942 8.999 -5.372 412 1HD ARG 56 1HD ARG 56 -8.506 8.089 -7.791 413 2HD ARG 56 2HD ARG 56 -8.492 9.719 -7.110 414 HE ARG 56 HE ARG 56 -5.858 8.949 -7.693 415 1HH1 ARG 56 1HH1 ARG 56 -8.787 9.785 -9.366 416 2HH1 ARG 56 2HH1 ARG 56 -7.964 10.340 -10.791 417 1HH2 ARG 56 1HH2 ARG 56 -4.750 9.657 -9.487 418 2HH2 ARG 56 2HH2 ARG 56 -5.640 10.257 -10.868 419 H LEU 57 H LEU 57 -6.986 7.730 -2.829 420 HA LEU 57 HA LEU 57 -9.050 5.759 -2.110 421 1HB LEU 57 1HB LEU 57 -7.377 6.350 -0.364 422 2HB LEU 57 2HB LEU 57 -7.875 8.026 -0.482 423 HG LEU 57 HG LEU 57 -10.182 7.317 0.252 424 1HD1 LEU 57 1HD1 LEU 57 -10.435 5.154 1.334 425 2HD1 LEU 57 2HD1 LEU 57 -8.780 4.721 0.894 426 3HD1 LEU 57 3HD1 LEU 57 -9.999 4.946 -0.356 427 1HD2 LEU 57 1HD2 LEU 57 -7.929 6.744 2.180 428 2HD2 LEU 57 2HD2 LEU 57 -9.584 7.172 2.604 429 3HD2 LEU 57 3HD2 LEU 57 -8.555 8.341 1.774 430 H THR 58 H THR 58 -11.155 6.346 -2.141 431 HA THR 58 HA THR 58 -11.866 8.957 -3.214 432 HB THR 58 HB THR 58 -14.221 7.991 -3.193 433 HG1 THR 58 HG1 THR 58 -12.846 5.551 -2.715 434 1HG2 THR 58 1HG2 THR 58 -13.837 6.518 -5.128 435 2HG2 THR 58 2HG2 THR 58 -12.109 6.476 -4.756 436 3HG2 THR 58 3HG2 THR 58 -12.883 7.993 -5.229 437 H SER 59 H SER 59 -14.125 9.764 -2.127 438 HA SER 59 HA SER 59 -13.394 10.733 0.422 439 1HB SER 59 1HB SER 59 -16.170 10.643 -0.761 440 2HB SER 59 2HB SER 59 -15.572 11.775 0.467 441 HG SER 59 HG SER 59 -13.906 12.062 -1.476 442 H GLN 60 H GLN 60 -12.849 8.672 1.443 443 HA GLN 60 HA GLN 60 -13.159 7.154 3.073 444 1HB GLN 60 1HB GLN 60 -15.810 8.545 3.431 445 2HB GLN 60 2HB GLN 60 -15.132 7.377 4.557 446 1HG GLN 60 1HG GLN 60 -14.188 10.152 3.908 447 2HG GLN 60 2HG GLN 60 -14.637 9.469 5.464 448 1HE2 GLN 60 2HE2 GLN 60 -13.188 8.048 6.498 449 2HE2 GLN 60 1HE2 GLN 60 -11.497 8.061 6.113 450 H ASN 61 H ASN 61 -15.002 7.051 0.334 451 HA ASN 61 HA ASN 61 -16.802 4.937 0.927 452 1HB ASN 61 1HB ASN 61 -17.215 6.442 -0.952 453 2HB ASN 61 2HB ASN 61 -15.742 5.899 -1.745 454 1HD2 ASN 61 2HD2 ASN 61 -16.922 5.213 -3.568 455 2HD2 ASN 61 1HD2 ASN 61 -17.893 3.787 -3.533 456 H LYS 62 H LYS 62 -14.047 4.832 -1.333 457 HA LYS 62 HA LYS 62 -13.129 2.304 -0.226 458 1HB LYS 62 1HB LYS 62 -13.262 1.166 -2.466 459 2HB LYS 62 2HB LYS 62 -14.845 1.547 -1.782 460 1HG LYS 62 1HG LYS 62 -15.088 3.440 -3.253 461 2HG LYS 62 2HG LYS 62 -13.433 3.260 -3.830 462 1HD LYS 62 1HD LYS 62 -14.012 1.106 -4.831 463 2HD LYS 62 2HD LYS 62 -15.653 1.272 -4.223 464 1HE LYS 62 1HE LYS 62 -16.039 3.189 -5.605 465 2HE LYS 62 2HE LYS 62 -14.360 3.194 -6.139 466 1HZ LYS 62 1HZ LYS 62 -16.307 1.018 -6.677 467 2HZ LYS 62 2HZ LYS 62 -14.710 1.079 -7.228 468 3HZ LYS 62 3HZ LYS 62 -15.838 2.206 -7.788 469 H LEU 63 H LEU 63 -11.395 1.503 -2.135 470 HA LEU 63 HA LEU 63 -9.912 3.831 -3.081 471 1HB LEU 63 1HB LEU 63 -7.779 3.004 -2.304 472 2HB LEU 63 2HB LEU 63 -8.858 3.161 -0.937 473 HG LEU 63 HG LEU 63 -8.216 0.535 -2.296 474 1HD1 LEU 63 1HD1 LEU 63 -6.219 1.504 -1.269 475 2HD1 LEU 63 2HD1 LEU 63 -6.772 0.086 -0.386 476 3HD1 LEU 63 3HD1 LEU 63 -7.090 1.697 0.257 477 1HD2 LEU 63 1HD2 LEU 63 -9.640 1.185 0.288 478 2HD2 LEU 63 2HD2 LEU 63 -9.156 -0.430 -0.205 479 3HD2 LEU 63 3HD2 LEU 63 -10.342 0.458 -1.153 480 H ILE 64 H ILE 64 -8.237 3.192 -4.706 481 HA ILE 64 HA ILE 64 -8.829 0.755 -6.160 482 HB ILE 64 HB ILE 64 -9.320 2.049 -8.287 483 1HG1 ILE 64 1HG1 ILE 64 -10.608 4.267 -7.771 484 2HG1 ILE 64 2HG1 ILE 64 -9.649 4.278 -6.290 485 1HG2 ILE 64 1HG2 ILE 64 -11.698 2.170 -7.869 486 2HG2 ILE 64 2HG2 ILE 64 -11.405 2.120 -6.125 487 3HG2 ILE 64 3HG2 ILE 64 -10.991 0.732 -7.131 488 1HD1 ILE 64 1HD1 ILE 64 -8.672 5.679 -8.017 489 2HD1 ILE 64 2HD1 ILE 64 -8.551 4.288 -9.107 490 3HD1 ILE 64 3HD1 ILE 64 -7.590 4.337 -7.623 491 H LEU 65 H LEU 65 -7.549 0.791 -8.302 492 HA LEU 65 HA LEU 65 -4.888 1.931 -7.736 493 1HB LEU 65 1HB LEU 65 -5.079 -0.577 -7.908 494 2HB LEU 65 2HB LEU 65 -5.605 -0.375 -9.569 495 HG LEU 65 HG LEU 65 -3.425 0.598 -10.165 496 1HD1 LEU 65 1HD1 LEU 65 -2.840 1.658 -8.070 497 2HD1 LEU 65 2HD1 LEU 65 -1.568 0.533 -8.506 498 3HD1 LEU 65 3HD1 LEU 65 -2.730 0.098 -7.254 499 1HD2 LEU 65 1HD2 LEU 65 -3.207 -2.049 -8.704 500 2HD2 LEU 65 2HD2 LEU 65 -2.075 -1.441 -9.918 501 3HD2 LEU 65 3HD2 LEU 65 -3.732 -1.819 -10.372 502 H THR 66 H THR 66 -3.742 2.933 -9.479 503 HA THR 66 HA THR 66 -5.003 3.488 -11.953 504 HB THR 66 HB THR 66 -6.430 4.962 -10.591 505 HG1 THR 66 HG1 THR 66 -4.705 6.725 -11.928 506 1HG2 THR 66 1HG2 THR 66 -5.532 6.894 -9.417 507 2HG2 THR 66 2HG2 THR 66 -3.881 6.392 -9.823 508 3HG2 THR 66 3HG2 THR 66 -4.869 5.405 -8.748 509 H LYS 67 H LYS 67 -3.720 5.033 -13.238 510 HA LYS 67 HA LYS 67 -1.009 5.519 -12.240 511 1HB LYS 67 1HB LYS 67 -1.683 4.170 -14.881 512 2HB LYS 67 2HB LYS 67 -0.097 4.829 -14.462 513 1HG LYS 67 1HG LYS 67 -0.046 3.255 -12.508 514 2HG LYS 67 2HG LYS 67 -1.527 2.533 -13.131 515 1HD LYS 67 1HD LYS 67 0.417 1.231 -13.865 516 2HD LYS 67 2HD LYS 67 -0.361 1.993 -15.247 517 1HE LYS 67 1HE LYS 67 1.303 3.799 -15.202 518 2HE LYS 67 2HE LYS 67 2.096 3.027 -13.822 519 1HZ LYS 67 1HZ LYS 67 2.609 1.133 -15.208 520 2HZ LYS 67 2HZ LYS 67 3.176 2.549 -15.936 521 3HZ LYS 67 3HZ LYS 67 1.774 1.813 -16.519 522 1H MET 1 1H MET 1 -34.460 -36.032 -2.911 523 2H MET 1 2H MET 1 -36.008 -35.445 -3.264 524 3H MET 1 3H MET 1 -35.587 -35.778 -1.655 525 HA MET 1 HA MET 1 -35.575 -33.401 -2.115 526 1HB MET 1 1HB MET 1 -34.081 -34.278 -0.395 527 2HB MET 1 2HB MET 1 -32.850 -34.608 -1.595 528 1HG MET 1 1HG MET 1 -32.293 -32.620 -0.393 529 2HG MET 1 2HG MET 1 -32.687 -32.210 -2.059 530 1HE MET 1 1HE MET 1 -33.959 -29.053 -0.151 531 2HE MET 1 2HE MET 1 -33.059 -29.627 -1.558 532 3HE MET 1 3HE MET 1 -32.492 -29.999 0.078 533 H MET 2 H MET 2 -35.111 -31.729 -3.414 534 HA MET 2 HA MET 2 -34.170 -32.172 -6.056 535 1HB MET 2 1HB MET 2 -35.714 -30.349 -5.495 536 2HB MET 2 2HB MET 2 -34.493 -29.590 -4.483 537 1HG MET 2 1HG MET 2 -33.081 -29.328 -6.547 538 2HG MET 2 2HG MET 2 -34.449 -29.903 -7.492 539 1HE MET 2 1HE MET 2 -34.582 -27.691 -4.269 540 2HE MET 2 2HE MET 2 -34.610 -26.066 -4.936 541 3HE MET 2 3HE MET 2 -33.150 -27.071 -5.087 542 H THR 3 H THR 3 -32.180 -31.710 -7.006 543 HA THR 3 HA THR 3 -29.856 -31.846 -5.384 544 HB THR 3 HB THR 3 -28.651 -31.265 -7.570 545 HG1 THR 3 HG1 THR 3 -30.902 -30.276 -8.286 546 1HG2 THR 3 1HG2 THR 3 -29.042 -33.583 -6.901 547 2HG2 THR 3 2HG2 THR 3 -29.210 -33.402 -8.640 548 3HG2 THR 3 3HG2 THR 3 -30.646 -33.550 -7.633 549 H ALA 4 H ALA 4 -29.682 -30.195 -3.925 550 HA ALA 4 HA ALA 4 -29.901 -27.422 -4.808 551 1HB ALA 4 1HB ALA 4 -31.021 -28.123 -2.723 552 2HB ALA 4 2HB ALA 4 -29.806 -26.860 -2.455 553 3HB ALA 4 3HB ALA 4 -29.457 -28.544 -2.052 554 H SER 5 H SER 5 -28.201 -26.124 -5.120 555 HA SER 5 HA SER 5 -25.575 -27.169 -5.237 556 1HB SER 5 1HB SER 5 -26.412 -24.248 -5.255 557 2HB SER 5 2HB SER 5 -24.915 -24.919 -5.912 558 HG SER 5 HG SER 5 -26.417 -26.242 -7.257 559 H ASP 6 H ASP 6 -25.113 -27.989 -3.171 560 HA ASP 6 HA ASP 6 -25.311 -26.295 -0.863 561 1HB ASP 6 1HB ASP 6 -25.621 -28.760 -0.757 562 2HB ASP 6 2HB ASP 6 -23.913 -28.969 -1.166 563 H ARG 7 H ARG 7 -23.898 -24.748 -0.394 564 HA ARG 7 HA ARG 7 -21.119 -25.271 -0.186 565 1HB ARG 7 1HB ARG 7 -20.283 -23.626 -1.792 566 2HB ARG 7 2HB ARG 7 -21.149 -24.929 -2.583 567 1HG ARG 7 1HG ARG 7 -21.961 -23.111 -3.740 568 2HG ARG 7 2HG ARG 7 -23.191 -23.300 -2.487 569 1HD ARG 7 1HD ARG 7 -22.132 -21.552 -1.168 570 2HD ARG 7 2HD ARG 7 -20.869 -21.376 -2.366 571 HE ARG 7 HE ARG 7 -23.664 -20.854 -3.068 572 1HH1 ARG 7 1HH1 ARG 7 -20.318 -19.839 -2.822 573 2HH1 ARG 7 2HH1 ARG 7 -20.577 -18.332 -3.639 574 1HH2 ARG 7 1HH2 ARG 7 -24.016 -18.835 -4.135 575 2HH2 ARG 7 2HH2 ARG 7 -22.667 -17.785 -4.404 576 H LEU 8 H LEU 8 -19.968 -23.444 0.772 577 HA LEU 8 HA LEU 8 -21.825 -21.691 2.252 578 1HB LEU 8 1HB LEU 8 -18.973 -22.470 2.915 579 2HB LEU 8 2HB LEU 8 -20.045 -21.538 3.938 580 HG LEU 8 HG LEU 8 -20.432 -24.443 3.159 581 1HD1 LEU 8 1HD1 LEU 8 -18.552 -24.122 4.692 582 2HD1 LEU 8 2HD1 LEU 8 -19.892 -24.986 5.459 583 3HD1 LEU 8 3HD1 LEU 8 -19.623 -23.269 5.813 584 1HD2 LEU 8 1HD2 LEU 8 -22.246 -24.436 4.812 585 2HD2 LEU 8 2HD2 LEU 8 -22.561 -23.297 3.501 586 3HD2 LEU 8 3HD2 LEU 8 -22.000 -22.693 5.060 587 H GLY 9 H GLY 9 -21.147 -19.505 2.654 588 1HA GLY 9 1HA GLY 9 -19.909 -18.234 0.376 589 2HA GLY 9 2HA GLY 9 -20.560 -17.427 1.810 590 H ALA 10 H ALA 10 -17.979 -19.778 1.174 591 HA ALA 10 HA ALA 10 -16.294 -18.523 3.186 592 1HB ALA 10 1HB ALA 10 -14.873 -20.493 2.955 593 2HB ALA 10 2HB ALA 10 -15.821 -21.033 1.563 594 3HB ALA 10 3HB ALA 10 -16.555 -20.985 3.164 595 H ASP 11 H ASP 11 -14.126 -17.904 2.793 596 HA ASP 11 HA ASP 11 -13.764 -16.589 0.225 597 1HB ASP 11 1HB ASP 11 -13.220 -15.586 2.556 598 2HB ASP 11 2HB ASP 11 -11.796 -16.625 2.530 599 HA PRO 12 HA PRO 12 -11.575 -20.115 -1.458 600 1HB PRO 12 1HB PRO 12 -10.221 -18.686 -3.437 601 2HB PRO 12 2HB PRO 12 -11.829 -19.401 -3.598 602 1HG PRO 12 1HG PRO 12 -11.061 -16.578 -2.954 603 2HG PRO 12 2HG PRO 12 -12.388 -17.178 -3.970 604 1HD PRO 12 1HD PRO 12 -12.846 -16.268 -1.497 605 2HD PRO 12 2HD PRO 12 -13.730 -17.678 -2.154 606 H THR 13 H THR 13 -10.036 -17.169 -0.367 607 HA THR 13 HA THR 13 -7.703 -18.783 0.436 608 HB THR 13 HB THR 13 -6.973 -17.637 -1.580 609 HG1 THR 13 HG1 THR 13 -5.325 -16.191 -0.429 610 1HG2 THR 13 1HG2 THR 13 -6.892 -15.193 -1.737 611 2HG2 THR 13 2HG2 THR 13 -7.721 -15.054 -0.185 612 3HG2 THR 13 3HG2 THR 13 -8.549 -15.764 -1.571 613 H GLN 14 H GLN 14 -7.152 -18.480 2.472 614 HA GLN 14 HA GLN 14 -8.688 -16.618 4.068 615 1HB GLN 14 1HB GLN 14 -7.568 -17.708 6.014 616 2HB GLN 14 2HB GLN 14 -8.459 -18.820 4.989 617 1HG GLN 14 1HG GLN 14 -5.526 -18.477 4.550 618 2HG GLN 14 2HG GLN 14 -6.104 -19.458 5.890 619 1HE2 GLN 14 2HE2 GLN 14 -5.265 -21.368 5.045 620 2HE2 GLN 14 1HE2 GLN 14 -5.951 -22.146 3.650 621 H ALA 15 H ALA 15 -8.033 -14.674 4.644 622 HA ALA 15 HA ALA 15 -5.591 -13.584 3.767 623 1HB ALA 15 1HB ALA 15 -6.240 -11.583 5.056 624 2HB ALA 15 2HB ALA 15 -7.519 -12.520 5.858 625 3HB ALA 15 3HB ALA 15 -7.590 -12.211 4.118 626 H ALA 16 H ALA 16 -6.735 -14.279 7.063 627 HA ALA 16 HA ALA 16 -5.665 -14.562 9.039 628 1HB ALA 16 1HB ALA 16 -3.637 -15.923 7.292 629 2HB ALA 16 2HB ALA 16 -5.089 -16.658 7.976 630 3HB ALA 16 3HB ALA 16 -3.797 -16.113 9.043 631 H SER 17 H SER 17 -5.397 -12.283 9.200 632 HA SER 17 HA SER 17 -3.214 -10.845 8.218 633 1HB SER 17 1HB SER 17 -4.921 -10.267 10.649 634 2HB SER 17 2HB SER 17 -3.913 -9.077 9.801 635 HG SER 17 HG SER 17 -5.788 -8.783 8.830 636 H SER 18 H SER 18 -3.337 -13.061 10.792 637 HA SER 18 HA SER 18 -1.704 -13.948 12.053 638 1HB SER 18 1HB SER 18 0.170 -11.986 10.732 639 2HB SER 18 2HB SER 18 0.629 -13.423 11.641 640 HG SER 18 HG SER 18 -1.078 -13.631 9.439 641 HA PRO 19 HA PRO 19 -1.913 -11.062 15.519 642 1HB PRO 19 1HB PRO 19 -0.982 -13.392 17.062 643 2HB PRO 19 2HB PRO 19 -2.458 -12.459 17.256 644 1HG PRO 19 1HG PRO 19 -2.470 -14.968 16.295 645 2HG PRO 19 2HG PRO 19 -3.620 -13.742 15.714 646 1HD PRO 19 1HD PRO 19 -1.079 -14.726 14.417 647 2HD PRO 19 2HD PRO 19 -2.671 -14.368 13.689 648 H GLY 20 H GLY 20 -0.250 -9.658 15.613 649 1HA GLY 20 1HA GLY 20 1.822 -8.863 16.224 650 2HA GLY 20 2HA GLY 20 2.304 -10.496 16.619 651 H GLY 21 H GLY 21 4.310 -9.617 15.570 652 1HA GLY 21 1HA GLY 21 5.770 -9.856 13.787 653 2HA GLY 21 2HA GLY 21 4.455 -10.525 12.835 654 H ALA 22 H ALA 22 5.013 -7.427 14.456 655 HA ALA 22 HA ALA 22 3.786 -5.995 12.295 656 1HB ALA 22 1HB ALA 22 3.451 -5.296 14.616 657 2HB ALA 22 2HB ALA 22 4.148 -3.993 13.655 658 3HB ALA 22 3HB ALA 22 5.160 -4.933 14.758 659 H ARG 23 H ARG 23 4.743 -5.045 10.614 660 HA ARG 23 HA ARG 23 7.668 -4.719 10.669 661 1HB ARG 23 1HB ARG 23 7.800 -5.182 8.329 662 2HB ARG 23 2HB ARG 23 6.865 -6.470 9.068 663 1HG ARG 23 1HG ARG 23 4.777 -5.408 8.298 664 2HG ARG 23 2HG ARG 23 5.729 -4.131 7.539 665 1HD ARG 23 1HD ARG 23 5.110 -5.710 5.839 666 2HD ARG 23 2HD ARG 23 6.847 -5.882 6.135 667 HE ARG 23 HE ARG 23 5.935 -7.757 7.741 668 1HH1 ARG 23 1HH1 ARG 23 4.953 -7.013 4.461 669 2HH1 ARG 23 2HH1 ARG 23 4.453 -8.643 4.126 670 1HH2 ARG 23 1HH2 ARG 23 5.271 -9.891 7.297 671 2HH2 ARG 23 2HH2 ARG 23 4.627 -10.268 5.711 672 H ALA 24 H ALA 24 8.449 -2.738 10.189 673 HA ALA 24 HA ALA 24 6.515 -0.595 9.636 674 1HB ALA 24 1HB ALA 24 7.944 -0.365 11.648 675 2HB ALA 24 2HB ALA 24 8.197 0.940 10.490 676 3HB ALA 24 3HB ALA 24 9.377 -0.366 10.608 677 H VAL 25 H VAL 25 6.391 0.189 7.647 678 HA VAL 25 HA VAL 25 8.705 -0.118 5.830 679 HB VAL 25 HB VAL 25 7.072 -0.143 3.957 680 1HG1 VAL 25 1HG1 VAL 25 7.896 -2.247 4.854 681 2HG1 VAL 25 2HG1 VAL 25 6.205 -2.409 4.363 682 3HG1 VAL 25 3HG1 VAL 25 6.620 -2.266 6.079 683 1HG2 VAL 25 1HG2 VAL 25 5.203 1.055 4.927 684 2HG2 VAL 25 2HG2 VAL 25 5.050 -0.144 6.213 685 3HG2 VAL 25 3HG2 VAL 25 4.660 -0.585 4.545 686 H SER 26 H SER 26 9.193 1.643 4.458 687 HA SER 26 HA SER 26 8.203 4.183 5.561 688 1HB SER 26 1HB SER 26 10.389 5.122 4.783 689 2HB SER 26 2HB SER 26 10.564 3.827 5.965 690 HG SER 26 HG SER 26 11.848 2.980 4.523 691 H ILE 27 H ILE 27 8.016 6.000 4.278 692 HA ILE 27 HA ILE 27 7.575 5.572 1.401 693 HB ILE 27 HB ILE 27 5.754 7.085 3.302 694 1HG1 ILE 27 1HG1 ILE 27 4.008 5.624 2.037 695 2HG1 ILE 27 2HG1 ILE 27 5.394 4.645 1.574 696 1HG2 ILE 27 1HG2 ILE 27 5.657 7.094 0.282 697 2HG2 ILE 27 2HG2 ILE 27 6.104 8.454 1.309 698 3HG2 ILE 27 3HG2 ILE 27 4.464 7.813 1.355 699 1HD1 ILE 27 1HD1 ILE 27 4.264 3.725 3.490 700 2HD1 ILE 27 2HD1 ILE 27 4.526 5.235 4.376 701 3HD1 ILE 27 3HD1 ILE 27 5.899 4.239 3.916 702 H VAL 28 H VAL 28 8.485 7.162 0.150 703 HA VAL 28 HA VAL 28 9.847 9.351 1.559 704 HB VAL 28 HB VAL 28 11.122 9.625 -0.617 705 1HG1 VAL 28 1HG1 VAL 28 12.555 7.666 -0.245 706 2HG1 VAL 28 2HG1 VAL 28 11.283 6.934 0.735 707 3HG1 VAL 28 3HG1 VAL 28 12.065 8.419 1.269 708 1HG2 VAL 28 1HG2 VAL 28 9.505 8.535 -2.135 709 2HG2 VAL 28 2HG2 VAL 28 9.781 6.997 -1.314 710 3HG2 VAL 28 3HG2 VAL 28 11.085 7.762 -2.218 711 H GLY 29 H GLY 29 8.324 10.881 1.828 712 1HA GLY 29 1HA GLY 29 7.226 12.822 1.195 713 2HA GLY 29 2HA GLY 29 7.521 12.397 -0.506 714 H ASN 30 H ASN 30 6.174 10.816 -1.500 715 HA ASN 30 HA ASN 30 3.906 9.798 -0.013 716 1HB ASN 30 1HB ASN 30 2.206 10.627 -1.532 717 2HB ASN 30 2HB ASN 30 3.104 11.992 -0.896 718 1HD2 ASN 30 2HD2 ASN 30 1.482 11.891 -3.277 719 2HD2 ASN 30 1HD2 ASN 30 2.528 12.263 -4.603 720 H GLN 31 H GLN 31 6.362 8.895 -1.491 721 HA GLN 31 HA GLN 31 5.049 6.982 -3.317 722 1HB GLN 31 1HB GLN 31 6.560 8.457 -4.549 723 2HB GLN 31 2HB GLN 31 7.874 8.108 -3.425 724 1HG GLN 31 1HG GLN 31 7.865 5.758 -4.167 725 2HG GLN 31 2HG GLN 31 6.568 6.135 -5.308 726 1HE2 GLN 31 2HE2 GLN 31 9.256 5.082 -5.793 727 2HE2 GLN 31 1HE2 GLN 31 9.997 6.201 -6.874 728 H ILE 32 H ILE 32 4.911 5.037 -2.364 729 HA ILE 32 HA ILE 32 7.163 4.058 -0.733 730 HB ILE 32 HB ILE 32 4.877 3.900 0.233 731 1HG1 ILE 32 1HG1 ILE 32 6.144 1.212 -0.363 732 2HG1 ILE 32 2HG1 ILE 32 6.619 2.299 0.932 733 1HG2 ILE 32 1HG2 ILE 32 3.246 2.305 -0.660 734 2HG2 ILE 32 2HG2 ILE 32 4.322 1.958 -2.018 735 3HG2 ILE 32 3HG2 ILE 32 3.614 3.569 -1.838 736 1HD1 ILE 32 1HD1 ILE 32 4.413 2.008 1.969 737 2HD1 ILE 32 2HD1 ILE 32 5.277 0.475 1.778 738 3HD1 ILE 32 3HD1 ILE 32 3.961 0.900 0.668 739 H ASP 33 H ASP 33 8.034 1.925 -1.176 740 HA ASP 33 HA ASP 33 7.819 1.241 -4.043 741 1HB ASP 33 1HB ASP 33 10.085 1.988 -3.078 742 2HB ASP 33 2HB ASP 33 10.093 0.474 -2.189 743 H SER 34 H SER 34 7.769 -0.915 -4.670 744 HA SER 34 HA SER 34 6.008 -2.557 -3.233 745 1HB SER 34 1HB SER 34 6.166 -2.660 -5.648 746 2HB SER 34 2HB SER 34 7.834 -3.191 -5.557 747 HG SER 34 HG SER 34 6.359 -4.840 -4.092 748 H ARG 35 H ARG 35 9.422 -2.223 -3.024 749 HA ARG 35 HA ARG 35 10.112 -4.872 -2.213 750 1HB ARG 35 1HB ARG 35 11.462 -2.214 -2.025 751 2HB ARG 35 2HB ARG 35 12.082 -3.521 -1.040 752 1HG ARG 35 1HG ARG 35 13.288 -3.245 -3.176 753 2HG ARG 35 2HG ARG 35 12.537 -4.840 -3.009 754 1HD ARG 35 1HD ARG 35 10.830 -4.329 -4.550 755 2HD ARG 35 2HD ARG 35 11.167 -2.607 -4.478 756 HE ARG 35 HE ARG 35 12.967 -4.573 -5.742 757 1HH1 ARG 35 1HH1 ARG 35 11.473 -1.394 -5.644 758 2HH1 ARG 35 2HH1 ARG 35 12.330 -0.818 -7.040 759 1HH2 ARG 35 1HH2 ARG 35 14.016 -3.825 -7.619 760 2HH2 ARG 35 2HH2 ARG 35 13.744 -2.201 -8.161 761 H GLU 36 H GLU 36 9.157 -1.954 -0.486 762 HA GLU 36 HA GLU 36 9.565 -2.786 2.133 763 1HB GLU 36 1HB GLU 36 7.342 -1.003 1.102 764 2HB GLU 36 2HB GLU 36 7.955 -1.067 2.753 765 1HG GLU 36 1HG GLU 36 9.529 -0.180 0.338 766 2HG GLU 36 2HG GLU 36 8.747 0.898 1.515 767 H LEU 37 H LEU 37 6.611 -3.064 0.141 768 HA LEU 37 HA LEU 37 5.110 -4.205 2.321 769 1HB LEU 37 1HB LEU 37 4.478 -3.906 -0.626 770 2HB LEU 37 2HB LEU 37 3.328 -4.477 0.587 771 HG LEU 37 HG LEU 37 4.625 -1.739 0.582 772 1HD1 LEU 37 1HD1 LEU 37 1.822 -2.567 -0.190 773 2HD1 LEU 37 2HD1 LEU 37 3.078 -2.016 -1.291 774 3HD1 LEU 37 3HD1 LEU 37 2.426 -0.902 -0.097 775 1HD2 LEU 37 1HD2 LEU 37 2.973 -1.198 2.324 776 2HD2 LEU 37 2HD2 LEU 37 4.066 -2.477 2.826 777 3HD2 LEU 37 3HD2 LEU 37 2.440 -2.889 2.321 778 H PHE 38 H PHE 38 6.332 -5.416 -0.775 779 HA PHE 38 HA PHE 38 5.406 -8.112 -0.121 780 1HB PHE 38 1HB PHE 38 6.549 -6.955 -2.690 781 2HB PHE 38 2HB PHE 38 5.906 -8.589 -2.492 782 HD1 PHE 38 HD1 PHE 38 3.464 -8.877 -1.844 783 HD2 PHE 38 HD2 PHE 38 5.086 -5.174 -3.206 784 HE1 PHE 38 HE1 PHE 38 1.211 -8.080 -2.371 785 HE2 PHE 38 HE2 PHE 38 2.825 -4.372 -3.713 786 HZ PHE 38 HZ PHE 38 0.867 -5.824 -3.293 787 H THR 39 H THR 39 7.713 -6.927 1.249 788 HA THR 39 HA THR 39 10.154 -8.011 0.322 789 HB THR 39 HB THR 39 10.173 -6.273 1.994 790 HG1 THR 39 HG1 THR 39 11.722 -8.231 2.002 791 1HG2 THR 39 1HG2 THR 39 8.120 -6.739 3.206 792 2HG2 THR 39 2HG2 THR 39 9.477 -6.698 4.325 793 3HG2 THR 39 3HG2 THR 39 8.809 -8.240 3.828 794 H VAL 40 H VAL 40 7.556 -9.330 2.290 795 HA VAL 40 HA VAL 40 8.946 -11.943 2.349 796 HB VAL 40 HB VAL 40 6.820 -10.947 4.269 797 1HG1 VAL 40 1HG1 VAL 40 6.626 -13.332 3.954 798 2HG1 VAL 40 2HG1 VAL 40 7.333 -13.011 5.533 799 3HG1 VAL 40 3HG1 VAL 40 8.368 -13.550 4.202 800 1HG2 VAL 40 1HG2 VAL 40 9.770 -11.401 4.701 801 2HG2 VAL 40 2HG2 VAL 40 8.594 -10.979 5.943 802 3HG2 VAL 40 3HG2 VAL 40 8.954 -9.837 4.649 803 H ASP 41 H ASP 41 5.622 -10.632 2.493 804 HA ASP 41 HA ASP 41 4.469 -13.002 1.403 805 1HB ASP 41 1HB ASP 41 3.175 -10.279 1.665 806 2HB ASP 41 2HB ASP 41 2.352 -11.829 1.527 807 H ARG 42 H ARG 42 2.815 -12.682 -0.454 808 HA ARG 42 HA ARG 42 3.982 -11.079 -2.650 809 1HB ARG 42 1HB ARG 42 4.262 -13.493 -3.068 810 2HB ARG 42 2HB ARG 42 2.533 -13.749 -2.827 811 1HG ARG 42 1HG ARG 42 2.014 -12.438 -4.805 812 2HG ARG 42 2HG ARG 42 3.727 -12.024 -5.012 813 1HD ARG 42 1HD ARG 42 2.709 -14.864 -5.041 814 2HD ARG 42 2HD ARG 42 2.798 -13.876 -6.487 815 HE ARG 42 HE ARG 42 5.281 -13.887 -5.098 816 1HH1 ARG 42 1HH1 ARG 42 3.262 -15.840 -7.226 817 2HH1 ARG 42 2HH1 ARG 42 4.609 -16.631 -7.997 818 1HH2 ARG 42 1HH2 ARG 42 7.044 -14.977 -6.064 819 2HH2 ARG 42 2HH2 ARG 42 6.760 -16.147 -7.314 820 H GLU 43 H GLU 43 1.678 -11.195 -0.435 821 HA GLU 43 HA GLU 43 -0.180 -9.562 -1.930 822 1HB GLU 43 1HB GLU 43 -1.149 -11.757 -2.348 823 2HB GLU 43 2HB GLU 43 -0.986 -12.192 -0.654 824 1HG GLU 43 1HG GLU 43 -2.673 -10.506 -0.079 825 2HG GLU 43 2HG GLU 43 -2.838 -10.081 -1.781 826 H ILE 44 H ILE 44 -1.253 -8.129 -0.622 827 HA ILE 44 HA ILE 44 -0.587 -8.202 2.253 828 HB ILE 44 HB ILE 44 -0.473 -5.756 0.457 829 1HG1 ILE 44 1HG1 ILE 44 1.464 -7.233 0.199 830 2HG1 ILE 44 2HG1 ILE 44 1.926 -5.728 0.989 831 1HG2 ILE 44 1HG2 ILE 44 -0.005 -6.007 3.432 832 2HG2 ILE 44 2HG2 ILE 44 -1.346 -5.152 2.653 833 3HG2 ILE 44 3HG2 ILE 44 0.314 -4.557 2.474 834 1HD1 ILE 44 1HD1 ILE 44 3.019 -7.673 1.970 835 2HD1 ILE 44 2HD1 ILE 44 1.454 -8.369 2.362 836 3HD1 ILE 44 3HD1 ILE 44 1.961 -6.864 3.142 837 H VAL 45 H VAL 45 -2.164 -7.303 3.623 838 HA VAL 45 HA VAL 45 -4.821 -7.049 2.412 839 HB VAL 45 HB VAL 45 -4.066 -7.610 5.291 840 1HG1 VAL 45 1HG1 VAL 45 -6.193 -6.408 5.124 841 2HG1 VAL 45 2HG1 VAL 45 -6.483 -8.079 5.602 842 3HG1 VAL 45 3HG1 VAL 45 -6.781 -7.568 3.942 843 1HG2 VAL 45 1HG2 VAL 45 -3.540 -9.498 3.855 844 2HG2 VAL 45 2HG2 VAL 45 -5.147 -9.451 3.145 845 3HG2 VAL 45 3HG2 VAL 45 -4.964 -9.880 4.842 846 H ILE 46 H ILE 46 -6.128 -5.287 2.915 847 HA ILE 46 HA ILE 46 -4.858 -2.998 4.256 848 HB ILE 46 HB ILE 46 -6.278 -2.839 1.584 849 1HG1 ILE 46 1HG1 ILE 46 -3.330 -2.458 2.246 850 2HG1 ILE 46 2HG1 ILE 46 -4.020 -3.803 1.339 851 1HG2 ILE 46 1HG2 ILE 46 -5.638 -0.451 1.636 852 2HG2 ILE 46 2HG2 ILE 46 -4.913 -0.692 3.224 853 3HG2 ILE 46 3HG2 ILE 46 -6.650 -0.878 3.024 854 1HD1 ILE 46 1HD1 ILE 46 -3.992 -0.918 0.491 855 2HD1 ILE 46 2HD1 ILE 46 -4.700 -2.247 -0.425 856 3HD1 ILE 46 3HD1 ILE 46 -2.969 -2.206 -0.123 857 H ALA 47 H ALA 47 -6.229 -2.589 5.932 858 HA ALA 47 HA ALA 47 -9.083 -3.074 5.595 859 1HB ALA 47 1HB ALA 47 -7.970 -3.905 7.627 860 2HB ALA 47 2HB ALA 47 -9.222 -2.731 8.011 861 3HB ALA 47 3HB ALA 47 -7.526 -2.260 8.063 862 H HIS 48 H HIS 48 -10.627 -1.518 5.673 863 HA HIS 48 HA HIS 48 -9.915 1.257 6.229 864 1HB HIS 48 1HB HIS 48 -9.525 1.112 3.833 865 2HB HIS 48 2HB HIS 48 -11.062 0.293 3.580 866 HD1 HIS 48 HD1 HIS 48 -9.785 3.709 4.703 867 HD2 HIS 48 HD2 HIS 48 -13.151 1.936 3.034 868 HE1 HIS 48 HE1 HIS 48 -11.300 5.604 4.100 869 HE2 HIS 48 HE2 HIS 48 -13.442 4.494 3.389 870 H GLY 49 H GLY 49 -11.359 1.242 8.020 871 1HA GLY 49 1HA GLY 49 -13.446 1.962 8.759 872 2HA GLY 49 2HA GLY 49 -14.185 1.336 7.276 873 H ASP 50 H ASP 50 -14.158 -0.988 7.026 874 HA ASP 50 HA ASP 50 -13.466 -2.683 9.254 875 1HB ASP 50 1HB ASP 50 -15.738 -2.036 9.908 876 2HB ASP 50 2HB ASP 50 -16.345 -2.521 8.325 877 H ASP 51 H ASP 51 -14.190 -2.057 6.006 878 HA ASP 51 HA ASP 51 -14.352 -4.822 5.135 879 1HB ASP 51 1HB ASP 51 -15.544 -2.916 3.979 880 2HB ASP 51 2HB ASP 51 -13.968 -2.341 3.450 881 H ARG 52 H ARG 52 -12.765 -5.627 3.507 882 HA ARG 52 HA ARG 52 -10.047 -4.765 4.175 883 1HB ARG 52 1HB ARG 52 -10.957 -7.638 4.325 884 2HB ARG 52 2HB ARG 52 -9.327 -7.037 4.666 885 1HG ARG 52 1HG ARG 52 -10.211 -5.791 6.586 886 2HG ARG 52 2HG ARG 52 -11.826 -6.435 6.249 887 1HD ARG 52 1HD ARG 52 -10.911 -8.726 6.568 888 2HD ARG 52 2HD ARG 52 -9.370 -8.009 7.037 889 HE ARG 52 HE ARG 52 -11.544 -7.003 8.586 890 1HH1 ARG 52 1HH1 ARG 52 -9.343 -9.718 8.279 891 2HH1 ARG 52 2HH1 ARG 52 -9.513 -10.193 9.943 892 1HH2 ARG 52 1HH2 ARG 52 -11.777 -7.641 10.770 893 2HH2 ARG 52 2HH2 ARG 52 -10.865 -9.009 11.347 894 H TYR 53 H TYR 53 -8.714 -4.775 2.512 895 HA TYR 53 HA TYR 53 -9.597 -6.003 -0.008 896 1HB TYR 53 1HB TYR 53 -7.919 -3.523 0.435 897 2HB TYR 53 2HB TYR 53 -8.216 -4.257 -1.135 898 HD1 TYR 53 HD2 TYR 53 -9.983 -2.713 1.749 899 HD2 TYR 53 HD1 TYR 53 -10.104 -3.666 -2.385 900 HE1 TYR 53 HE2 TYR 53 -12.038 -1.381 1.516 901 HE2 TYR 53 HE1 TYR 53 -12.157 -2.340 -2.637 902 HH TYR 53 HH TYR 53 -13.280 -0.242 -0.183 903 H ARG 54 H ARG 54 -7.658 -6.446 -1.473 904 HA ARG 54 HA ARG 54 -5.279 -7.260 0.033 905 1HB ARG 54 1HB ARG 54 -6.829 -9.029 -1.894 906 2HB ARG 54 2HB ARG 54 -5.228 -9.405 -1.279 907 1HG ARG 54 1HG ARG 54 -6.048 -9.665 0.943 908 2HG ARG 54 2HG ARG 54 -7.620 -9.000 0.501 909 1HD ARG 54 1HD ARG 54 -8.162 -10.935 -0.784 910 2HD ARG 54 2HD ARG 54 -6.498 -11.521 -0.726 911 HE ARG 54 HE ARG 54 -7.074 -11.568 1.826 912 1HH1 ARG 54 1HH1 ARG 54 -9.223 -12.507 -0.792 913 2HH1 ARG 54 2HH1 ARG 54 -9.967 -13.767 0.138 914 1HH2 ARG 54 1HH2 ARG 54 -8.094 -13.243 3.022 915 2HH2 ARG 54 2HH2 ARG 54 -9.329 -14.203 2.261 916 H LEU 55 H LEU 55 -3.769 -6.052 -0.835 917 HA LEU 55 HA LEU 55 -3.583 -5.517 -3.674 918 1HB LEU 55 1HB LEU 55 -2.883 -3.871 -1.935 919 2HB LEU 55 2HB LEU 55 -1.583 -4.948 -1.460 920 HG LEU 55 HG LEU 55 -0.601 -4.722 -3.731 921 1HD1 LEU 55 1HD1 LEU 55 -1.423 -2.946 -5.206 922 2HD1 LEU 55 2HD1 LEU 55 -2.782 -2.667 -4.105 923 3HD1 LEU 55 3HD1 LEU 55 -2.632 -4.207 -4.962 924 1HD2 LEU 55 1HD2 LEU 55 -1.055 -2.110 -2.271 925 2HD2 LEU 55 2HD2 LEU 55 0.241 -2.452 -3.414 926 3HD2 LEU 55 3HD2 LEU 55 0.167 -3.316 -1.882 927 H ARG 56 H ARG 56 -2.866 -7.072 -5.005 928 HA ARG 56 HA ARG 56 -1.066 -9.117 -3.911 929 1HB ARG 56 1HB ARG 56 -3.348 -9.913 -4.583 930 2HB ARG 56 2HB ARG 56 -2.976 -9.418 -6.227 931 1HG ARG 56 1HG ARG 56 -1.207 -11.038 -6.416 932 2HG ARG 56 2HG ARG 56 -1.379 -11.451 -4.698 933 1HD ARG 56 1HD ARG 56 -3.428 -11.889 -6.900 934 2HD ARG 56 2HD ARG 56 -2.442 -13.124 -6.119 935 HE ARG 56 HE ARG 56 -3.825 -11.895 -4.071 936 1HH1 ARG 56 1HH1 ARG 56 -4.593 -13.752 -6.952 937 2HH1 ARG 56 2HH1 ARG 56 -6.124 -14.299 -6.337 938 1HH2 ARG 56 1HH2 ARG 56 -5.790 -12.647 -3.223 939 2HH2 ARG 56 2HH2 ARG 56 -6.814 -13.658 -4.208 940 H LEU 57 H LEU 57 0.790 -9.605 -4.924 941 HA LEU 57 HA LEU 57 1.538 -8.020 -7.285 942 1HB LEU 57 1HB LEU 57 2.886 -7.731 -5.205 943 2HB LEU 57 2HB LEU 57 3.281 -9.437 -5.270 944 HG LEU 57 HG LEU 57 4.328 -8.943 -7.549 945 1HD1 LEU 57 1HD1 LEU 57 5.006 -6.627 -7.981 946 2HD1 LEU 57 2HD1 LEU 57 4.079 -6.092 -6.577 947 3HD1 LEU 57 3HD1 LEU 57 3.249 -6.790 -7.968 948 1HD2 LEU 57 1HD2 LEU 57 6.418 -8.115 -6.577 949 2HD2 LEU 57 2HD2 LEU 57 5.679 -9.371 -5.581 950 3HD2 LEU 57 3HD2 LEU 57 5.547 -7.681 -5.095 951 H THR 58 H THR 58 2.155 -9.058 -9.119 952 HA THR 58 HA THR 58 1.892 -11.952 -9.231 953 HB THR 58 HB THR 58 2.275 -11.581 -11.737 954 HG1 THR 58 HG1 THR 58 1.852 -8.850 -11.024 955 1HG2 THR 58 1HG2 THR 58 0.031 -10.677 -12.118 956 2HG2 THR 58 2HG2 THR 58 -0.024 -10.087 -10.457 957 3HG2 THR 58 3HG2 THR 58 0.024 -11.830 -10.784 958 H SER 59 H SER 59 3.660 -12.905 -10.938 959 HA SER 59 HA SER 59 6.103 -12.917 -9.522 960 1HB SER 59 1HB SER 59 5.488 -13.895 -12.320 961 2HB SER 59 2HB SER 59 6.941 -14.299 -11.398 962 HG SER 59 HG SER 59 5.765 -15.510 -10.024 963 H GLN 60 H GLN 60 6.449 -10.581 -9.421 964 HA GLN 60 HA GLN 60 7.733 -8.787 -9.852 965 1HB GLN 60 1HB GLN 60 9.449 -10.520 -10.272 966 2HB GLN 60 2HB GLN 60 9.039 -10.498 -11.971 967 1HG GLN 60 1HG GLN 60 9.813 -8.236 -12.183 968 2HG GLN 60 2HG GLN 60 10.074 -8.116 -10.436 969 1HE2 GLN 60 2HE2 GLN 60 12.237 -7.606 -10.690 970 2HE2 GLN 60 1HE2 GLN 60 13.413 -8.781 -11.183 971 H ASN 61 H ASN 61 5.564 -9.888 -12.094 972 HA ASN 61 HA ASN 61 6.104 -8.157 -14.281 973 1HB ASN 61 1HB ASN 61 4.766 -10.233 -14.491 974 2HB ASN 61 2HB ASN 61 3.476 -9.502 -13.526 975 1HD2 ASN 61 2HD2 ASN 61 5.125 -9.514 -16.590 976 2HD2 ASN 61 1HD2 ASN 61 3.965 -8.550 -17.448 977 H LYS 62 H LYS 62 3.268 -8.084 -12.136 978 HA LYS 62 HA LYS 62 3.530 -5.206 -11.763 979 1HB LYS 62 1HB LYS 62 1.325 -4.684 -12.666 980 2HB LYS 62 2HB LYS 62 2.303 -5.419 -13.921 981 1HG LYS 62 1HG LYS 62 1.133 -7.526 -13.600 982 2HG LYS 62 2HG LYS 62 0.185 -6.825 -12.302 983 1HD LYS 62 1HD LYS 62 -0.780 -5.198 -13.885 984 2HD LYS 62 2HD LYS 62 0.177 -5.915 -15.180 985 1HE LYS 62 1HE LYS 62 -0.997 -8.042 -14.855 986 2HE LYS 62 2HE LYS 62 -1.951 -7.303 -13.567 987 1HZ LYS 62 1HZ LYS 62 -3.138 -7.367 -15.705 988 2HZ LYS 62 2HZ LYS 62 -1.921 -6.437 -16.408 989 3HZ LYS 62 3HZ LYS 62 -2.895 -5.773 -15.190 990 H LEU 63 H LEU 63 1.129 -4.610 -10.701 991 HA LEU 63 HA LEU 63 0.387 -6.703 -8.827 992 1HB LEU 63 1HB LEU 63 0.271 -5.098 -6.944 993 2HB LEU 63 2HB LEU 63 1.907 -5.358 -7.520 994 HG LEU 63 HG LEU 63 0.322 -2.941 -8.393 995 1HD1 LEU 63 1HD1 LEU 63 1.323 -1.686 -6.585 996 2HD1 LEU 63 2HD1 LEU 63 2.115 -3.136 -5.966 997 3HD1 LEU 63 3HD1 LEU 63 0.354 -3.002 -5.934 998 1HD2 LEU 63 1HD2 LEU 63 2.553 -2.025 -8.754 999 2HD2 LEU 63 2HD2 LEU 63 2.331 -3.510 -9.672 1000 3HD2 LEU 63 3HD2 LEU 63 3.284 -3.516 -8.197 1001 H ILE 64 H ILE 64 -1.697 -6.176 -7.719 1002 HA ILE 64 HA ILE 64 -3.495 -4.461 -9.205 1003 HB ILE 64 HB ILE 64 -5.090 -6.400 -9.663 1004 1HG1 ILE 64 1HG1 ILE 64 -3.753 -8.580 -10.189 1005 2HG1 ILE 64 2HG1 ILE 64 -2.563 -7.947 -9.056 1006 1HG2 ILE 64 1HG2 ILE 64 -4.059 -6.934 -11.821 1007 2HG2 ILE 64 2HG2 ILE 64 -2.535 -6.242 -11.263 1008 3HG2 ILE 64 3HG2 ILE 64 -3.958 -5.212 -11.445 1009 1HD1 ILE 64 1HD1 ILE 64 -5.458 -8.486 -8.421 1010 2HD1 ILE 64 2HD1 ILE 64 -4.211 -7.972 -7.284 1011 3HD1 ILE 64 3HD1 ILE 64 -4.116 -9.566 -8.033 1012 H LEU 65 H LEU 65 -5.823 -4.808 -8.379 1013 HA LEU 65 HA LEU 65 -5.677 -5.075 -5.455 1014 1HB LEU 65 1HB LEU 65 -6.359 -2.867 -6.433 1015 2HB LEU 65 2HB LEU 65 -7.758 -3.649 -7.132 1016 HG LEU 65 HG LEU 65 -8.135 -2.290 -5.019 1017 1HD1 LEU 65 1HD1 LEU 65 -9.005 -5.169 -4.824 1018 2HD1 LEU 65 2HD1 LEU 65 -9.755 -3.967 -5.858 1019 3HD1 LEU 65 3HD1 LEU 65 -9.805 -3.761 -4.124 1020 1HD2 LEU 65 1HD2 LEU 65 -6.771 -4.625 -3.711 1021 2HD2 LEU 65 2HD2 LEU 65 -7.625 -3.330 -2.880 1022 3HD2 LEU 65 3HD2 LEU 65 -6.152 -2.978 -3.787 1023 H THR 66 H THR 66 -7.359 -6.289 -4.393 1024 HA THR 66 HA THR 66 -9.279 -7.769 -5.826 1025 HB THR 66 HB THR 66 -7.296 -9.071 -6.549 1026 HG1 THR 66 HG1 THR 66 -9.113 -10.302 -6.420 1027 1HG2 THR 66 1HG2 THR 66 -5.869 -8.703 -4.583 1028 2HG2 THR 66 2HG2 THR 66 -6.025 -10.416 -4.971 1029 3HG2 THR 66 3HG2 THR 66 -6.935 -9.723 -3.619 1030 H LYS 67 H LYS 67 -10.406 -9.386 -4.325 1031 HA LYS 67 HA LYS 67 -9.490 -9.690 -1.668 1032 1HB LYS 67 1HB LYS 67 -11.399 -8.676 -0.463 1033 2HB LYS 67 2HB LYS 67 -10.326 -7.506 -1.201 1034 1HG LYS 67 1HG LYS 67 -11.939 -7.056 -2.941 1035 2HG LYS 67 2HG LYS 67 -12.966 -8.375 -2.364 1036 1HD LYS 67 1HD LYS 67 -13.284 -7.185 -0.232 1037 2HD LYS 67 2HD LYS 67 -12.263 -5.869 -0.826 1038 1HE LYS 67 1HE LYS 67 -13.863 -5.319 -2.527 1039 2HE LYS 67 2HE LYS 67 -14.829 -6.750 -2.165 1040 1HZ LYS 67 1HZ LYS 67 -14.365 -4.489 -0.294 1041 2HZ LYS 67 2HZ LYS 67 -15.338 -5.835 -0.006 1042 3HZ LYS 67 3HZ LYS 67 -15.768 -4.720 -1.205 Start of MODEL 6 1 1H MET 1 1H MET 1 48.425 32.031 10.720 2 2H MET 1 2H MET 1 46.894 32.707 10.913 3 3H MET 1 3H MET 1 47.534 31.709 12.116 4 HA MET 1 HA MET 1 47.622 34.049 12.743 5 1HB MET 1 1HB MET 1 49.322 32.477 13.609 6 2HB MET 1 2HB MET 1 50.336 32.801 12.203 7 1HG MET 1 1HG MET 1 50.581 35.119 12.870 8 2HG MET 1 2HG MET 1 49.538 34.837 14.267 9 1HE MET 1 1HE MET 1 53.105 35.341 15.852 10 2HE MET 1 2HE MET 1 51.428 35.878 15.877 11 3HE MET 1 3HE MET 1 52.426 36.167 14.453 12 H MET 2 H MET 2 47.271 35.878 11.735 13 HA MET 2 HA MET 2 49.270 36.934 9.901 14 1HB MET 2 1HB MET 2 47.644 37.461 8.139 15 2HB MET 2 2HB MET 2 47.796 35.727 8.377 16 1HG MET 2 1HG MET 2 45.725 35.687 9.634 17 2HG MET 2 2HG MET 2 45.581 37.442 9.496 18 1HE MET 2 1HE MET 2 45.108 37.920 5.615 19 2HE MET 2 2HE MET 2 46.587 38.000 6.575 20 3HE MET 2 3HE MET 2 45.106 38.724 7.188 21 H THR 3 H THR 3 48.829 39.239 9.382 22 HA THR 3 HA THR 3 48.047 40.630 11.753 23 HB THR 3 HB THR 3 48.635 41.756 9.008 24 HG1 THR 3 HG1 THR 3 50.214 40.510 10.778 25 1HG2 THR 3 1HG2 THR 3 47.501 43.368 10.431 26 2HG2 THR 3 2HG2 THR 3 49.182 43.812 10.232 27 3HG2 THR 3 3HG2 THR 3 48.641 43.080 11.741 28 H ALA 4 H ALA 4 45.905 39.924 12.020 29 HA ALA 4 HA ALA 4 43.907 41.629 10.955 30 1HB ALA 4 1HB ALA 4 43.842 38.805 9.908 31 2HB ALA 4 2HB ALA 4 44.213 40.237 8.939 32 3HB ALA 4 3HB ALA 4 42.606 40.037 9.651 33 H SER 5 H SER 5 43.224 41.892 13.045 34 HA SER 5 HA SER 5 42.766 39.671 14.808 35 1HB SER 5 1HB SER 5 41.599 41.480 16.189 36 2HB SER 5 2HB SER 5 43.307 41.734 15.854 37 HG SER 5 HG SER 5 41.457 42.795 14.043 38 H ASP 6 H ASP 6 41.521 38.397 13.327 39 HA ASP 6 HA ASP 6 38.827 39.252 12.685 40 1HB ASP 6 1HB ASP 6 40.072 38.018 10.981 41 2HB ASP 6 2HB ASP 6 40.353 36.702 12.126 42 H ARG 7 H ARG 7 37.012 38.637 13.724 43 HA ARG 7 HA ARG 7 37.122 36.404 15.602 44 1HB ARG 7 1HB ARG 7 37.616 38.443 16.900 45 2HB ARG 7 2HB ARG 7 36.086 39.139 16.383 46 1HG ARG 7 1HG ARG 7 34.905 37.280 17.522 47 2HG ARG 7 2HG ARG 7 36.456 36.669 18.089 48 1HD ARG 7 1HD ARG 7 35.295 37.995 19.814 49 2HD ARG 7 2HD ARG 7 36.831 38.723 19.347 50 HE ARG 7 HE ARG 7 35.643 40.435 18.189 51 1HH1 ARG 7 1HH1 ARG 7 33.583 38.245 20.006 52 2HH1 ARG 7 2HH1 ARG 7 32.213 39.299 19.956 53 1HH2 ARG 7 1HH2 ARG 7 33.838 41.833 18.136 54 2HH2 ARG 7 2HH2 ARG 7 32.357 41.327 18.905 55 H LEU 8 H LEU 8 35.807 35.219 14.274 56 HA LEU 8 HA LEU 8 33.410 36.282 13.135 57 1HB LEU 8 1HB LEU 8 32.929 33.890 12.573 58 2HB LEU 8 2HB LEU 8 34.428 34.528 11.936 59 HG LEU 8 HG LEU 8 35.545 33.377 13.976 60 1HD1 LEU 8 1HD1 LEU 8 33.577 32.808 15.265 61 2HD1 LEU 8 2HD1 LEU 8 34.406 31.344 14.729 62 3HD1 LEU 8 3HD1 LEU 8 32.942 31.880 13.907 63 1HD2 LEU 8 1HD2 LEU 8 35.905 32.675 11.690 64 2HD2 LEU 8 2HD2 LEU 8 34.394 31.768 11.702 65 3HD2 LEU 8 3HD2 LEU 8 35.720 31.266 12.748 66 H GLY 9 H GLY 9 31.245 35.494 13.575 67 1HA GLY 9 1HA GLY 9 30.804 35.140 16.487 68 2HA GLY 9 2HA GLY 9 29.653 35.810 15.344 69 H ALA 10 H ALA 10 31.246 32.864 16.376 70 HA ALA 10 HA ALA 10 29.579 31.141 14.766 71 1HB ALA 10 1HB ALA 10 30.757 29.293 15.870 72 2HB ALA 10 2HB ALA 10 31.544 30.446 16.941 73 3HB ALA 10 3HB ALA 10 31.879 30.489 15.214 74 H ASP 11 H ASP 11 27.785 32.555 16.043 75 HA ASP 11 HA ASP 11 27.121 31.539 18.654 76 1HB ASP 11 1HB ASP 11 26.669 33.885 18.011 77 2HB ASP 11 2HB ASP 11 25.546 33.327 16.779 78 HA PRO 12 HA PRO 12 24.878 27.977 17.104 79 1HB PRO 12 1HB PRO 12 23.411 27.519 19.409 80 2HB PRO 12 2HB PRO 12 25.071 26.977 19.165 81 1HG PRO 12 1HG PRO 12 24.067 29.400 20.605 82 2HG PRO 12 2HG PRO 12 25.362 28.285 21.079 83 1HD PRO 12 1HD PRO 12 25.916 30.664 20.027 84 2HD PRO 12 2HD PRO 12 26.903 29.235 19.624 85 H THR 13 H THR 13 23.378 28.496 15.607 86 HA THR 13 HA THR 13 21.192 30.306 16.196 87 HB THR 13 HB THR 13 21.731 28.702 13.693 88 HG1 THR 13 HG1 THR 13 22.669 31.226 14.612 89 1HG2 THR 13 1HG2 THR 13 19.421 29.508 13.848 90 2HG2 THR 13 2HG2 THR 13 20.305 30.415 12.625 91 3HG2 THR 13 3HG2 THR 13 20.007 31.136 14.196 92 H GLN 14 H GLN 14 19.407 29.591 17.191 93 HA GLN 14 HA GLN 14 18.806 26.798 17.393 94 1HB GLN 14 1HB GLN 14 17.127 29.203 18.166 95 2HB GLN 14 2HB GLN 14 16.772 27.548 18.609 96 1HG GLN 14 1HG GLN 14 18.924 27.449 19.832 97 2HG GLN 14 2HG GLN 14 19.165 29.166 19.465 98 1HE2 GLN 14 2HE2 GLN 14 18.981 27.897 22.038 99 2HE2 GLN 14 1HE2 GLN 14 17.647 28.615 22.853 100 H ALA 15 H ALA 15 18.791 26.490 15.016 101 HA ALA 15 HA ALA 15 16.454 27.436 13.576 102 1HB ALA 15 1HB ALA 15 18.627 27.270 12.430 103 2HB ALA 15 2HB ALA 15 17.410 26.245 11.672 104 3HB ALA 15 3HB ALA 15 18.641 25.524 12.712 105 H ALA 16 H ALA 16 14.601 26.489 13.936 106 HA ALA 16 HA ALA 16 14.245 24.003 15.210 107 1HB ALA 16 1HB ALA 16 12.589 25.796 15.302 108 2HB ALA 16 2HB ALA 16 11.867 24.290 14.714 109 3HB ALA 16 3HB ALA 16 12.265 25.583 13.577 110 H SER 17 H SER 17 14.440 22.018 14.426 111 HA SER 17 HA SER 17 14.699 21.449 11.645 112 1HB SER 17 1HB SER 17 15.803 20.064 13.355 113 2HB SER 17 2HB SER 17 14.231 19.572 13.986 114 HG SER 17 HG SER 17 14.708 17.964 12.670 115 H SER 18 H SER 18 12.955 21.758 10.353 116 HA SER 18 HA SER 18 10.255 21.544 11.177 117 1HB SER 18 1HB SER 18 9.865 21.654 8.638 118 2HB SER 18 2HB SER 18 10.699 23.019 9.383 119 HG SER 18 HG SER 18 11.810 20.884 7.893 120 HA PRO 19 HA PRO 19 10.048 17.071 10.805 121 1HB PRO 19 1HB PRO 19 7.601 16.743 11.886 122 2HB PRO 19 2HB PRO 19 9.034 17.077 12.875 123 1HG PRO 19 1HG PRO 19 6.886 18.965 11.956 124 2HG PRO 19 2HG PRO 19 7.702 18.852 13.542 125 1HD PRO 19 1HD PRO 19 8.337 20.698 11.609 126 2HD PRO 19 2HD PRO 19 9.479 20.114 12.848 127 H GLY 20 H GLY 20 9.700 16.211 8.883 128 1HA GLY 20 1HA GLY 20 7.227 15.934 7.624 129 2HA GLY 20 2HA GLY 20 8.019 17.335 6.905 130 H GLY 21 H GLY 21 7.793 15.834 4.975 131 1HA GLY 21 1HA GLY 21 9.224 14.918 3.354 132 2HA GLY 21 2HA GLY 21 10.361 14.473 4.618 133 H ALA 22 H ALA 22 10.471 12.382 5.119 134 HA ALA 22 HA ALA 22 8.509 10.552 4.014 135 1HB ALA 22 1HB ALA 22 10.891 10.084 3.754 136 2HB ALA 22 2HB ALA 22 10.086 8.799 4.651 137 3HB ALA 22 3HB ALA 22 11.086 9.992 5.493 138 H ARG 23 H ARG 23 7.524 8.901 5.244 139 HA ARG 23 HA ARG 23 7.463 9.199 8.153 140 1HB ARG 23 1HB ARG 23 4.994 9.036 8.172 141 2HB ARG 23 2HB ARG 23 5.575 10.519 7.438 142 1HG ARG 23 1HG ARG 23 5.203 9.540 5.208 143 2HG ARG 23 2HG ARG 23 4.553 8.079 5.993 144 1HD ARG 23 1HD ARG 23 3.442 10.885 6.261 145 2HD ARG 23 2HD ARG 23 2.778 9.614 5.229 146 HE ARG 23 HE ARG 23 2.866 9.528 8.190 147 1HH1 ARG 23 1HH1 ARG 23 1.403 8.658 5.134 148 2HH1 ARG 23 2HH1 ARG 23 0.139 7.723 5.858 149 1HH2 ARG 23 1HH2 ARG 23 1.189 8.318 9.145 150 2HH2 ARG 23 2HH2 ARG 23 0.009 7.538 8.142 151 H ALA 24 H ALA 24 6.688 7.295 9.242 152 HA ALA 24 HA ALA 24 7.170 4.866 7.649 153 1HB ALA 24 1HB ALA 24 7.954 3.838 9.717 154 2HB ALA 24 2HB ALA 24 7.564 5.290 10.624 155 3HB ALA 24 3HB ALA 24 8.851 5.325 9.421 156 H VAL 25 H VAL 25 5.595 3.447 7.457 157 HA VAL 25 HA VAL 25 3.286 3.563 9.275 158 HB VAL 25 HB VAL 25 1.911 2.679 7.412 159 1HG1 VAL 25 1HG1 VAL 25 1.912 5.089 7.847 160 2HG1 VAL 25 2HG1 VAL 25 1.756 4.771 6.125 161 3HG1 VAL 25 3HG1 VAL 25 3.309 5.292 6.770 162 1HG2 VAL 25 1HG2 VAL 25 3.572 1.582 6.073 163 2HG2 VAL 25 2HG2 VAL 25 4.432 3.102 5.796 164 3HG2 VAL 25 3HG2 VAL 25 2.826 2.847 5.095 165 H SER 26 H SER 26 2.450 1.609 10.014 166 HA SER 26 HA SER 26 4.415 -0.563 9.801 167 1HB SER 26 1HB SER 26 3.218 -1.420 11.891 168 2HB SER 26 2HB SER 26 4.010 0.142 12.063 169 HG SER 26 HG SER 26 2.120 1.106 12.222 170 H ILE 27 H ILE 27 3.862 -2.687 9.599 171 HA ILE 27 HA ILE 27 1.211 -3.343 8.504 172 HB ILE 27 HB ILE 27 3.924 -4.145 7.463 173 1HG1 ILE 27 1HG1 ILE 27 2.747 -3.890 5.254 174 2HG1 ILE 27 2HG1 ILE 27 1.314 -3.362 6.128 175 1HG2 ILE 27 1HG2 ILE 27 2.868 -6.027 6.213 176 2HG2 ILE 27 2HG2 ILE 27 1.396 -5.784 7.154 177 3HG2 ILE 27 3HG2 ILE 27 2.878 -6.272 7.960 178 1HD1 ILE 27 1HD1 ILE 27 2.588 -1.506 5.205 179 2HD1 ILE 27 2HD1 ILE 27 3.984 -1.973 6.168 180 3HD1 ILE 27 3HD1 ILE 27 2.506 -1.420 6.956 181 H VAL 28 H VAL 28 0.219 -4.916 9.635 182 HA VAL 28 HA VAL 28 1.805 -6.288 11.697 183 HB VAL 28 HB VAL 28 -0.483 -6.787 12.727 184 1HG1 VAL 28 1HG1 VAL 28 1.001 -5.077 13.610 185 2HG1 VAL 28 2HG1 VAL 28 -0.676 -4.544 13.711 186 3HG1 VAL 28 3HG1 VAL 28 0.377 -3.891 12.457 187 1HG2 VAL 28 1HG2 VAL 28 -1.362 -4.716 10.700 188 2HG2 VAL 28 2HG2 VAL 28 -2.325 -5.266 12.069 189 3HG2 VAL 28 3HG2 VAL 28 -1.885 -6.409 10.793 190 H GLY 29 H GLY 29 2.587 -8.090 10.741 191 1HA GLY 29 1HA GLY 29 2.477 -10.299 10.033 192 2HA GLY 29 2HA GLY 29 0.721 -10.172 9.942 193 H ASN 30 H ASN 30 -0.165 -8.929 8.155 194 HA ASN 30 HA ASN 30 1.547 -8.007 6.034 195 1HB ASN 30 1HB ASN 30 0.823 -9.455 4.288 196 2HB ASN 30 2HB ASN 30 1.326 -10.513 5.596 197 1HD2 ASN 30 2HD2 ASN 30 -1.264 -9.442 3.619 198 2HD2 ASN 30 1HD2 ASN 30 -2.471 -10.534 4.209 199 H GLN 31 H GLN 31 -0.534 -7.170 7.963 200 HA GLN 31 HA GLN 31 -2.659 -6.235 6.122 201 1HB GLN 31 1HB GLN 31 -3.462 -7.589 7.996 202 2HB GLN 31 2HB GLN 31 -2.620 -6.540 9.131 203 1HG GLN 31 1HG GLN 31 -4.113 -4.669 8.333 204 2HG GLN 31 2HG GLN 31 -5.044 -5.884 7.456 205 1HE2 GLN 31 2HE2 GLN 31 -6.229 -7.417 8.648 206 2HE2 GLN 31 1HE2 GLN 31 -6.604 -7.209 10.311 207 H ILE 32 H ILE 32 -3.463 -4.039 6.494 208 HA ILE 32 HA ILE 32 -1.954 -2.146 8.015 209 HB ILE 32 HB ILE 32 -0.442 -2.392 6.045 210 1HG1 ILE 32 1HG1 ILE 32 -1.875 0.271 6.115 211 2HG1 ILE 32 2HG1 ILE 32 -0.613 -0.227 7.240 212 1HG2 ILE 32 1HG2 ILE 32 -2.799 -1.408 4.426 213 2HG2 ILE 32 2HG2 ILE 32 -2.071 -3.013 4.348 214 3HG2 ILE 32 3HG2 ILE 32 -1.149 -1.616 3.825 215 1HD1 ILE 32 1HD1 ILE 32 0.216 1.266 5.493 216 2HD1 ILE 32 2HD1 ILE 32 -0.292 0.113 4.263 217 3HD1 ILE 32 3HD1 ILE 32 0.973 -0.323 5.414 218 H ASP 33 H ASP 33 -3.068 -0.058 8.029 219 HA ASP 33 HA ASP 33 -5.834 -0.287 7.058 220 1HB ASP 33 1HB ASP 33 -5.379 0.099 9.525 221 2HB ASP 33 2HB ASP 33 -4.766 1.699 9.112 222 H SER 34 H SER 34 -6.763 1.293 5.858 223 HA SER 34 HA SER 34 -5.227 2.703 3.988 224 1HB SER 34 1HB SER 34 -7.422 3.902 3.500 225 2HB SER 34 2HB SER 34 -7.506 2.136 3.470 226 HG SER 34 HG SER 34 -8.027 2.669 5.930 227 H ARG 35 H ARG 35 -6.174 3.566 7.183 228 HA ARG 35 HA ARG 35 -6.023 6.415 6.890 229 1HB ARG 35 1HB ARG 35 -6.348 4.518 9.148 230 2HB ARG 35 2HB ARG 35 -5.480 5.992 9.554 231 1HG ARG 35 1HG ARG 35 -7.759 6.373 10.048 232 2HG ARG 35 2HG ARG 35 -7.383 7.303 8.591 233 1HD ARG 35 1HD ARG 35 -9.553 6.191 8.421 234 2HD ARG 35 2HD ARG 35 -8.426 5.577 7.206 235 HE ARG 35 HE ARG 35 -8.123 3.638 8.685 236 1HH1 ARG 35 1HH1 ARG 35 -10.937 5.625 9.206 237 2HH1 ARG 35 2HH1 ARG 35 -11.880 4.341 9.874 238 1HH2 ARG 35 1HH2 ARG 35 -9.315 1.938 9.629 239 2HH2 ARG 35 2HH2 ARG 35 -10.966 2.236 10.139 240 H GLU 36 H GLU 36 -3.791 3.893 7.947 241 HA GLU 36 HA GLU 36 -1.669 5.416 8.830 242 1HB GLU 36 1HB GLU 36 -1.547 2.808 7.273 243 2HB GLU 36 2HB GLU 36 -0.263 3.458 8.286 244 1HG GLU 36 1HG GLU 36 -2.987 2.733 9.338 245 2HG GLU 36 2HG GLU 36 -1.643 1.588 9.273 246 H LEU 37 H LEU 37 -2.340 4.272 5.535 247 HA LEU 37 HA LEU 37 -0.090 5.581 4.377 248 1HB LEU 37 1HB LEU 37 -2.561 4.405 3.123 249 2HB LEU 37 2HB LEU 37 -1.176 4.998 2.207 250 HG LEU 37 HG LEU 37 -1.206 2.663 4.129 251 1HD1 LEU 37 1HD1 LEU 37 -2.297 2.212 1.977 252 2HD1 LEU 37 2HD1 LEU 37 -0.784 1.309 2.149 253 3HD1 LEU 37 3HD1 LEU 37 -0.848 2.742 1.137 254 1HD2 LEU 37 1HD2 LEU 37 0.929 3.819 4.256 255 2HD2 LEU 37 2HD2 LEU 37 1.073 3.807 2.497 256 3HD2 LEU 37 3HD2 LEU 37 1.122 2.292 3.400 257 H PHE 38 H PHE 38 -3.567 6.310 4.421 258 HA PHE 38 HA PHE 38 -3.041 8.710 2.787 259 1HB PHE 38 1HB PHE 38 -5.673 7.324 3.318 260 2HB PHE 38 2HB PHE 38 -5.384 8.622 2.167 261 HD1 PHE 38 HD1 PHE 38 -3.803 8.147 0.217 262 HD2 PHE 38 HD2 PHE 38 -5.372 5.081 2.709 263 HE1 PHE 38 HE1 PHE 38 -3.332 6.497 -1.530 264 HE2 PHE 38 HE2 PHE 38 -4.888 3.405 0.974 265 HZ PHE 38 HZ PHE 38 -3.851 4.115 -1.147 266 H THR 39 H THR 39 -2.709 8.621 5.790 267 HA THR 39 HA THR 39 -4.873 10.269 6.786 268 HB THR 39 HB THR 39 -3.583 8.764 8.286 269 HG1 THR 39 HG1 THR 39 -3.342 11.507 9.057 270 1HG2 THR 39 1HG2 THR 39 -1.322 9.175 7.386 271 2HG2 THR 39 2HG2 THR 39 -1.401 9.432 9.124 272 3HG2 THR 39 3HG2 THR 39 -1.387 10.816 8.045 273 H VAL 40 H VAL 40 -1.730 10.855 5.336 274 HA VAL 40 HA VAL 40 -1.870 13.714 5.925 275 HB VAL 40 HB VAL 40 0.282 12.199 4.427 276 1HG1 VAL 40 1HG1 VAL 40 1.657 14.193 4.843 277 2HG1 VAL 40 2HG1 VAL 40 0.301 14.971 5.656 278 3HG1 VAL 40 3HG1 VAL 40 0.198 14.607 3.937 279 1HG2 VAL 40 1HG2 VAL 40 0.215 13.012 7.329 280 2HG2 VAL 40 2HG2 VAL 40 1.605 12.344 6.478 281 3HG2 VAL 40 3HG2 VAL 40 0.153 11.370 6.706 282 H ASP 41 H ASP 41 -0.748 12.182 2.966 283 HA ASP 41 HA ASP 41 -2.498 13.838 1.326 284 1HB ASP 41 1HB ASP 41 -0.074 13.253 0.739 285 2HB ASP 41 2HB ASP 41 -0.649 11.618 0.394 286 H ARG 42 H ARG 42 -3.429 12.278 -0.663 287 HA ARG 42 HA ARG 42 -4.906 10.096 0.704 288 1HB ARG 42 1HB ARG 42 -6.064 12.464 0.134 289 2HB ARG 42 2HB ARG 42 -6.278 11.682 -1.424 290 1HG ARG 42 1HG ARG 42 -8.251 11.363 -0.054 291 2HG ARG 42 2HG ARG 42 -7.432 9.808 -0.299 292 1HD ARG 42 1HD ARG 42 -6.513 9.874 1.904 293 2HD ARG 42 2HD ARG 42 -7.038 11.542 2.144 294 HE ARG 42 HE ARG 42 -9.282 9.894 1.635 295 1HH1 ARG 42 1HH1 ARG 42 -6.881 10.474 4.144 296 2HH1 ARG 42 2HH1 ARG 42 -7.967 10.078 5.433 297 1HH2 ARG 42 1HH2 ARG 42 -10.694 9.384 3.338 298 2HH2 ARG 42 2HH2 ARG 42 -10.134 9.455 4.977 299 H GLU 43 H GLU 43 -2.595 10.497 -1.311 300 HA GLU 43 HA GLU 43 -3.375 8.255 -2.997 301 1HB GLU 43 1HB GLU 43 -3.851 10.236 -4.365 302 2HB GLU 43 2HB GLU 43 -2.223 10.834 -4.118 303 1HG GLU 43 1HG GLU 43 -1.375 8.783 -5.265 304 2HG GLU 43 2HG GLU 43 -3.051 8.357 -5.628 305 H ILE 44 H ILE 44 -1.694 6.871 -3.307 306 HA ILE 44 HA ILE 44 0.973 7.654 -2.288 307 HB ILE 44 HB ILE 44 -0.435 4.982 -1.900 308 1HG1 ILE 44 1HG1 ILE 44 -1.285 6.764 -0.391 309 2HG1 ILE 44 2HG1 ILE 44 -0.425 5.503 0.510 310 1HG2 ILE 44 1HG2 ILE 44 2.315 5.827 -0.962 311 2HG2 ILE 44 2HG2 ILE 44 1.969 4.686 -2.262 312 3HG2 ILE 44 3HG2 ILE 44 1.514 4.297 -0.592 313 1HD1 ILE 44 1HD1 ILE 44 0.151 7.671 1.373 314 2HD1 ILE 44 2HD1 ILE 44 0.640 8.227 -0.229 315 3HD1 ILE 44 3HD1 ILE 44 1.561 6.964 0.592 316 H VAL 45 H VAL 45 2.687 6.999 -3.573 317 HA VAL 45 HA VAL 45 1.927 5.810 -6.166 318 HB VAL 45 HB VAL 45 4.384 7.453 -5.460 319 1HG1 VAL 45 1HG1 VAL 45 4.817 7.487 -7.879 320 2HG1 VAL 45 2HG1 VAL 45 3.418 6.469 -8.162 321 3HG1 VAL 45 3HG1 VAL 45 4.801 5.832 -7.271 322 1HG2 VAL 45 1HG2 VAL 45 3.343 9.247 -6.723 323 2HG2 VAL 45 2HG2 VAL 45 2.269 8.742 -5.424 324 3HG2 VAL 45 3HG2 VAL 45 1.958 8.229 -7.086 325 H ILE 46 H ILE 46 2.189 3.704 -6.025 326 HA ILE 46 HA ILE 46 4.450 2.523 -4.686 327 HB ILE 46 HB ILE 46 2.327 1.179 -6.380 328 1HG1 ILE 46 1HG1 ILE 46 2.397 1.619 -3.364 329 2HG1 ILE 46 2HG1 ILE 46 1.337 2.454 -4.488 330 1HG2 ILE 46 1HG2 ILE 46 2.968 -0.843 -5.104 331 2HG2 ILE 46 2HG2 ILE 46 4.246 0.075 -4.302 332 3HG2 ILE 46 3HG2 ILE 46 4.316 -0.205 -6.046 333 1HD1 ILE 46 1HD1 ILE 46 1.333 -0.486 -3.879 334 2HD1 ILE 46 2HD1 ILE 46 0.280 0.317 -5.061 335 3HD1 ILE 46 3HD1 ILE 46 0.144 0.706 -3.346 336 H ALA 47 H ALA 47 6.381 2.653 -5.683 337 HA ALA 47 HA ALA 47 6.563 2.450 -8.591 338 1HB ALA 47 1HB ALA 47 8.942 2.925 -8.252 339 2HB ALA 47 2HB ALA 47 8.751 2.770 -6.511 340 3HB ALA 47 3HB ALA 47 7.969 4.104 -7.359 341 H HIS 48 H HIS 48 7.402 0.673 -9.644 342 HA HIS 48 HA HIS 48 8.359 -1.611 -8.093 343 1HB HIS 48 1HB HIS 48 6.009 -2.087 -8.130 344 2HB HIS 48 2HB HIS 48 5.870 -1.634 -9.815 345 HD1 HIS 48 HD1 HIS 48 7.599 -4.300 -7.737 346 HD2 HIS 48 HD2 HIS 48 6.022 -3.706 -11.526 347 HE1 HIS 48 HE1 HIS 48 7.811 -6.516 -8.909 348 HE2 HIS 48 HE2 HIS 48 7.085 -6.028 -11.278 349 H GLY 49 H GLY 49 10.385 -1.495 -9.134 350 1HA GLY 49 1HA GLY 49 11.740 -2.485 -10.758 351 2HA GLY 49 2HA GLY 49 10.370 -2.479 -11.875 352 H ASP 50 H ASP 50 9.731 -0.560 -12.873 353 HA ASP 50 HA ASP 50 11.267 1.864 -12.386 354 1HB ASP 50 1HB ASP 50 11.187 0.497 -15.097 355 2HB ASP 50 2HB ASP 50 11.526 2.204 -14.907 356 H ASP 51 H ASP 51 8.432 0.192 -13.179 357 HA ASP 51 HA ASP 51 7.034 2.416 -14.374 358 1HB ASP 51 1HB ASP 51 5.997 -0.250 -13.364 359 2HB ASP 51 2HB ASP 51 5.064 0.922 -14.292 360 H ARG 52 H ARG 52 5.012 3.264 -13.356 361 HA ARG 52 HA ARG 52 5.316 3.397 -10.396 362 1HB ARG 52 1HB ARG 52 4.709 5.705 -12.276 363 2HB ARG 52 2HB ARG 52 4.757 5.808 -10.524 364 1HG ARG 52 1HG ARG 52 7.155 5.099 -10.618 365 2HG ARG 52 2HG ARG 52 7.053 5.235 -12.371 366 1HD ARG 52 1HD ARG 52 6.369 7.602 -12.119 367 2HD ARG 52 2HD ARG 52 6.626 7.436 -10.375 368 HE ARG 52 HE ARG 52 8.991 6.641 -11.524 369 1HH1 ARG 52 1HH1 ARG 52 7.056 9.539 -11.546 370 2HH1 ARG 52 2HH1 ARG 52 8.397 10.593 -11.852 371 1HH2 ARG 52 1HH2 ARG 52 10.762 8.004 -11.921 372 2HH2 ARG 52 2HH2 ARG 52 10.513 9.720 -12.074 373 H TYR 53 H TYR 53 3.502 2.891 -9.362 374 HA TYR 53 HA TYR 53 0.911 3.119 -10.734 375 1HB TYR 53 1HB TYR 53 1.871 1.189 -8.608 376 2HB TYR 53 2HB TYR 53 0.179 1.347 -9.045 377 HD1 TYR 53 HD1 TYR 53 3.518 0.677 -10.598 378 HD2 TYR 53 HD2 TYR 53 -0.680 -0.019 -10.743 379 HE1 TYR 53 HE1 TYR 53 3.847 -0.889 -12.449 380 HE2 TYR 53 HE2 TYR 53 -0.361 -1.606 -12.584 381 HH TYR 53 HH TYR 53 2.739 -2.797 -13.479 382 H ARG 54 H ARG 54 -0.925 3.554 -9.233 383 HA ARG 54 HA ARG 54 -0.126 5.288 -7.004 384 1HB ARG 54 1HB ARG 54 -1.913 6.062 -9.327 385 2HB ARG 54 2HB ARG 54 -1.899 6.925 -7.797 386 1HG ARG 54 1HG ARG 54 0.436 7.496 -8.070 387 2HG ARG 54 2HG ARG 54 0.516 6.563 -9.566 388 1HD ARG 54 1HD ARG 54 -0.970 8.059 -10.675 389 2HD ARG 54 2HD ARG 54 -1.341 8.903 -9.175 390 HE ARG 54 HE ARG 54 1.052 9.621 -9.191 391 1HH1 ARG 54 1HH1 ARG 54 -0.519 8.690 -12.201 392 2HH1 ARG 54 2HH1 ARG 54 0.470 9.693 -13.185 393 1HH2 ARG 54 1HH2 ARG 54 2.338 11.002 -10.510 394 2HH2 ARG 54 2HH2 ARG 54 2.085 11.016 -12.220 395 H LEU 55 H LEU 55 -1.044 4.277 -5.358 396 HA LEU 55 HA LEU 55 -3.707 3.140 -5.504 397 1HB LEU 55 1HB LEU 55 -1.859 2.082 -4.172 398 2HB LEU 55 2HB LEU 55 -1.861 3.489 -3.118 399 HG LEU 55 HG LEU 55 -4.222 2.928 -2.459 400 1HD1 LEU 55 1HD1 LEU 55 -3.739 0.380 -4.007 401 2HD1 LEU 55 2HD1 LEU 55 -4.823 1.671 -4.506 402 3HD1 LEU 55 3HD1 LEU 55 -5.159 0.768 -3.032 403 1HD2 LEU 55 1HD2 LEU 55 -2.294 2.207 -1.119 404 2HD2 LEU 55 2HD2 LEU 55 -2.236 0.696 -2.030 405 3HD2 LEU 55 3HD2 LEU 55 -3.639 1.065 -1.012 406 H ARG 56 H ARG 56 -5.462 4.397 -5.192 407 HA ARG 56 HA ARG 56 -5.080 6.987 -3.839 408 1HB ARG 56 1HB ARG 56 -5.255 7.216 -6.298 409 2HB ARG 56 2HB ARG 56 -6.814 6.428 -6.264 410 1HG ARG 56 1HG ARG 56 -7.769 8.258 -5.019 411 2HG ARG 56 2HG ARG 56 -6.201 9.044 -4.879 412 1HD ARG 56 1HD ARG 56 -7.502 10.096 -6.641 413 2HD ARG 56 2HD ARG 56 -6.109 9.255 -7.319 414 HE ARG 56 HE ARG 56 -8.645 7.816 -7.326 415 1HH1 ARG 56 1HH1 ARG 56 -6.338 9.719 -9.158 416 2HH1 ARG 56 2HH1 ARG 56 -6.984 9.242 -10.696 417 1HH2 ARG 56 1HH2 ARG 56 -9.514 7.227 -9.340 418 2HH2 ARG 56 2HH2 ARG 56 -8.801 7.828 -10.802 419 H LEU 57 H LEU 57 -6.668 7.678 -2.467 420 HA LEU 57 HA LEU 57 -8.783 5.724 -1.854 421 1HB LEU 57 1HB LEU 57 -7.052 5.998 -0.107 422 2HB LEU 57 2HB LEU 57 -7.444 7.706 -0.006 423 HG LEU 57 HG LEU 57 -9.761 7.092 0.732 424 1HD1 LEU 57 1HD1 LEU 57 -9.852 4.858 -0.208 425 2HD1 LEU 57 2HD1 LEU 57 -10.171 4.821 1.519 426 3HD1 LEU 57 3HD1 LEU 57 -8.590 4.312 0.917 427 1HD2 LEU 57 1HD2 LEU 57 -7.503 6.030 2.459 428 2HD2 LEU 57 2HD2 LEU 57 -9.117 6.473 3.020 429 3HD2 LEU 57 3HD2 LEU 57 -8.047 7.717 2.374 430 H THR 58 H THR 58 -10.842 6.441 -1.497 431 HA THR 58 HA THR 58 -11.582 9.046 -2.510 432 HB THR 58 HB THR 58 -13.910 8.336 -2.005 433 HG1 THR 58 HG1 THR 58 -12.564 6.160 -0.790 434 1HG2 THR 58 1HG2 THR 58 -12.881 7.705 -4.153 435 2HG2 THR 58 2HG2 THR 58 -14.025 6.475 -3.619 436 3HG2 THR 58 3HG2 THR 58 -12.289 6.202 -3.444 437 H SER 59 H SER 59 -13.463 10.148 -1.014 438 HA SER 59 HA SER 59 -12.313 11.304 1.204 439 1HB SER 59 1HB SER 59 -14.354 12.170 0.170 440 2HB SER 59 2HB SER 59 -15.253 10.754 0.734 441 HG SER 59 HG SER 59 -14.739 13.030 2.047 442 H GLN 60 H GLN 60 -14.720 8.653 1.314 443 HA GLN 60 HA GLN 60 -13.218 7.305 3.377 444 1HB GLN 60 1HB GLN 60 -15.958 8.460 3.937 445 2HB GLN 60 2HB GLN 60 -15.281 7.149 4.884 446 1HG GLN 60 1HG GLN 60 -13.408 8.602 5.539 447 2HG GLN 60 2HG GLN 60 -14.141 9.931 4.626 448 1HE2 GLN 60 2HE2 GLN 60 -15.915 7.569 6.515 449 2HE2 GLN 60 1HE2 GLN 60 -16.459 8.657 7.737 450 H ASN 61 H ASN 61 -14.984 7.109 0.635 451 HA ASN 61 HA ASN 61 -16.703 4.899 1.199 452 1HB ASN 61 1HB ASN 61 -17.154 6.455 -0.675 453 2HB ASN 61 2HB ASN 61 -15.714 5.854 -1.497 454 1HD2 ASN 61 2HD2 ASN 61 -18.965 5.120 -0.515 455 2HD2 ASN 61 1HD2 ASN 61 -19.169 3.720 -1.512 456 H LYS 62 H LYS 62 -14.025 4.867 -1.150 457 HA LYS 62 HA LYS 62 -12.975 2.391 -0.036 458 1HB LYS 62 1HB LYS 62 -13.204 1.119 -2.101 459 2HB LYS 62 2HB LYS 62 -14.792 1.653 -1.563 460 1HG LYS 62 1HG LYS 62 -14.778 3.423 -3.234 461 2HG LYS 62 2HG LYS 62 -13.158 2.983 -3.707 462 1HD LYS 62 1HD LYS 62 -13.904 0.887 -4.573 463 2HD LYS 62 2HD LYS 62 -15.523 1.133 -3.920 464 1HE LYS 62 1HE LYS 62 -15.810 3.081 -5.403 465 2HE LYS 62 2HE LYS 62 -14.226 2.787 -6.087 466 1HZ LYS 62 1HZ LYS 62 -14.964 0.690 -6.947 467 2HZ LYS 62 2HZ LYS 62 -16.037 1.896 -7.447 468 3HZ LYS 62 3HZ LYS 62 -16.475 0.847 -6.192 469 H LEU 63 H LEU 63 -11.313 1.610 -2.044 470 HA LEU 63 HA LEU 63 -9.825 3.987 -2.909 471 1HB LEU 63 1HB LEU 63 -7.686 2.957 -2.249 472 2HB LEU 63 2HB LEU 63 -8.710 3.287 -0.862 473 HG LEU 63 HG LEU 63 -8.459 0.533 -2.094 474 1HD1 LEU 63 1HD1 LEU 63 -6.251 1.273 -1.320 475 2HD1 LEU 63 2HD1 LEU 63 -6.897 -0.007 -0.296 476 3HD1 LEU 63 3HD1 LEU 63 -6.927 1.657 0.255 477 1HD2 LEU 63 1HD2 LEU 63 -10.442 0.769 -0.739 478 2HD2 LEU 63 2HD2 LEU 63 -9.522 1.517 0.573 479 3HD2 LEU 63 3HD2 LEU 63 -9.265 -0.178 0.170 480 H ILE 64 H ILE 64 -8.169 3.383 -4.538 481 HA ILE 64 HA ILE 64 -8.771 0.968 -6.075 482 HB ILE 64 HB ILE 64 -9.038 2.306 -8.209 483 1HG1 ILE 64 1HG1 ILE 64 -10.052 4.681 -7.709 484 2HG1 ILE 64 2HG1 ILE 64 -9.077 4.595 -6.231 485 1HG2 ILE 64 1HG2 ILE 64 -11.175 2.650 -6.100 486 2HG2 ILE 64 2HG2 ILE 64 -10.957 1.253 -7.157 487 3HG2 ILE 64 3HG2 ILE 64 -11.425 2.808 -7.840 488 1HD1 ILE 64 1HD1 ILE 64 -7.071 4.379 -7.553 489 2HD1 ILE 64 2HD1 ILE 64 -7.965 5.808 -8.028 490 3HD1 ILE 64 3HD1 ILE 64 -8.011 4.349 -9.029 491 H LEU 65 H LEU 65 -7.300 0.862 -8.049 492 HA LEU 65 HA LEU 65 -4.683 2.152 -7.461 493 1HB LEU 65 1HB LEU 65 -4.714 -0.282 -6.998 494 2HB LEU 65 2HB LEU 65 -5.201 -0.583 -8.662 495 HG LEU 65 HG LEU 65 -3.054 0.429 -9.421 496 1HD1 LEU 65 1HD1 LEU 65 -1.233 0.754 -7.847 497 2HD1 LEU 65 2HD1 LEU 65 -2.308 0.357 -6.503 498 3HD1 LEU 65 3HD1 LEU 65 -2.583 1.820 -7.449 499 1HD2 LEU 65 1HD2 LEU 65 -1.641 -1.477 -8.851 500 2HD2 LEU 65 2HD2 LEU 65 -3.276 -1.998 -9.262 501 3HD2 LEU 65 3HD2 LEU 65 -2.761 -1.944 -7.569 502 H THR 66 H THR 66 -4.406 3.697 -8.960 503 HA THR 66 HA THR 66 -4.981 3.057 -11.787 504 HB THR 66 HB THR 66 -6.496 4.791 -11.005 505 HG1 THR 66 HG1 THR 66 -4.668 6.438 -12.293 506 1HG2 THR 66 1HG2 THR 66 -5.210 5.531 -9.053 507 2HG2 THR 66 2HG2 THR 66 -5.680 6.894 -10.061 508 3HG2 THR 66 3HG2 THR 66 -4.032 6.286 -10.126 509 H LYS 67 H LYS 67 -3.639 4.629 -13.251 510 HA LYS 67 HA LYS 67 -0.899 4.970 -12.172 511 1HB LYS 67 1HB LYS 67 -1.571 4.136 -15.023 512 2HB LYS 67 2HB LYS 67 0.034 4.310 -14.320 513 1HG LYS 67 1HG LYS 67 -0.178 2.041 -14.244 514 2HG LYS 67 2HG LYS 67 -0.846 2.439 -12.655 515 1HD LYS 67 1HD LYS 67 -3.116 2.288 -13.539 516 2HD LYS 67 2HD LYS 67 -2.491 1.958 -15.153 517 1HE LYS 67 1HE LYS 67 -1.380 -0.084 -14.244 518 2HE LYS 67 2HE LYS 67 -2.230 0.199 -12.712 519 1HZ LYS 67 1HZ LYS 67 -4.334 0.037 -13.909 520 2HZ LYS 67 2HZ LYS 67 -3.430 -1.368 -14.111 521 3HZ LYS 67 3HZ LYS 67 -3.513 -0.240 -15.353 522 1H MET 1 1H MET 1 15.842 -49.736 53.845 523 2H MET 1 2H MET 1 16.387 -49.008 52.417 524 3H MET 1 3H MET 1 14.723 -49.115 52.732 525 HA MET 1 HA MET 1 14.956 -47.657 54.633 526 1HB MET 1 1HB MET 1 17.836 -47.467 53.715 527 2HB MET 1 2HB MET 1 17.095 -46.435 54.939 528 1HG MET 1 1HG MET 1 16.710 -48.396 56.355 529 2HG MET 1 2HG MET 1 17.446 -49.422 55.134 530 1HE MET 1 1HE MET 1 19.173 -50.419 56.906 531 2HE MET 1 2HE MET 1 18.406 -49.421 58.145 532 3HE MET 1 3HE MET 1 20.157 -49.392 57.953 533 H MET 2 H MET 2 17.183 -46.687 52.017 534 HA MET 2 HA MET 2 15.387 -44.455 51.437 535 1HB MET 2 1HB MET 2 17.798 -43.977 51.713 536 2HB MET 2 2HB MET 2 18.159 -45.062 50.370 537 1HG MET 2 1HG MET 2 16.882 -43.617 48.853 538 2HG MET 2 2HG MET 2 16.558 -42.506 50.184 539 1HE MET 2 1HE MET 2 17.526 -40.546 48.634 540 2HE MET 2 2HE MET 2 17.952 -41.688 47.347 541 3HE MET 2 3HE MET 2 19.146 -40.548 47.943 542 H THR 3 H THR 3 13.812 -46.054 50.600 543 HA THR 3 HA THR 3 14.434 -47.038 47.920 544 HB THR 3 HB THR 3 13.306 -48.613 49.386 545 HG1 THR 3 HG1 THR 3 12.833 -48.591 47.089 546 1HG2 THR 3 1HG2 THR 3 11.003 -46.648 49.454 547 2HG2 THR 3 2HG2 THR 3 12.075 -47.011 50.801 548 3HG2 THR 3 3HG2 THR 3 11.008 -48.268 50.159 549 H ALA 4 H ALA 4 14.636 -45.067 46.865 550 HA ALA 4 HA ALA 4 12.175 -43.957 45.890 551 1HB ALA 4 1HB ALA 4 12.579 -41.638 46.613 552 2HB ALA 4 2HB ALA 4 13.988 -42.184 47.534 553 3HB ALA 4 3HB ALA 4 12.375 -42.722 47.995 554 H SER 5 H SER 5 12.619 -43.830 43.777 555 HA SER 5 HA SER 5 15.176 -42.672 42.912 556 1HB SER 5 1HB SER 5 13.427 -44.592 41.353 557 2HB SER 5 2HB SER 5 15.017 -43.986 40.872 558 HG SER 5 HG SER 5 15.045 -45.131 43.346 559 H ASP 6 H ASP 6 14.125 -40.608 43.264 560 HA ASP 6 HA ASP 6 11.680 -39.921 42.011 561 1HB ASP 6 1HB ASP 6 12.518 -38.814 44.043 562 2HB ASP 6 2HB ASP 6 13.824 -38.109 43.099 563 H ARG 7 H ARG 7 11.361 -39.662 39.938 564 HA ARG 7 HA ARG 7 13.599 -39.230 38.128 565 1HB ARG 7 1HB ARG 7 10.684 -39.714 37.522 566 2HB ARG 7 2HB ARG 7 12.007 -39.750 36.364 567 1HG ARG 7 1HG ARG 7 12.931 -41.713 37.351 568 2HG ARG 7 2HG ARG 7 11.790 -41.614 38.706 569 1HD ARG 7 1HD ARG 7 11.069 -43.314 37.132 570 2HD ARG 7 2HD ARG 7 9.918 -41.989 37.166 571 HE ARG 7 HE ARG 7 11.964 -42.140 35.062 572 1HH1 ARG 7 1HH1 ARG 7 8.578 -41.959 36.020 573 2HH1 ARG 7 2HH1 ARG 7 8.016 -41.802 34.373 574 1HH2 ARG 7 1HH2 ARG 7 11.211 -41.951 32.917 575 2HH2 ARG 7 2HH2 ARG 7 9.498 -41.808 32.633 576 H LEU 8 H LEU 8 14.159 -37.042 38.320 577 HA LEU 8 HA LEU 8 12.071 -35.094 37.613 578 1HB LEU 8 1HB LEU 8 14.783 -34.681 38.901 579 2HB LEU 8 2HB LEU 8 13.731 -33.391 38.359 580 HG LEU 8 HG LEU 8 13.197 -35.346 40.596 581 1HD1 LEU 8 1HD1 LEU 8 13.161 -33.331 41.988 582 2HD1 LEU 8 2HD1 LEU 8 13.580 -32.348 40.583 583 3HD1 LEU 8 3HD1 LEU 8 14.721 -33.554 41.187 584 1HD2 LEU 8 1HD2 LEU 8 11.361 -33.190 39.526 585 2HD2 LEU 8 2HD2 LEU 8 11.080 -34.193 40.940 586 3HD2 LEU 8 3HD2 LEU 8 11.129 -34.919 39.334 587 H GLY 9 H GLY 9 11.990 -35.159 35.456 588 1HA GLY 9 1HA GLY 9 13.891 -33.717 33.963 589 2HA GLY 9 2HA GLY 9 14.142 -35.441 33.681 590 H ALA 10 H ALA 10 11.073 -33.793 34.303 591 HA ALA 10 HA ALA 10 10.111 -34.819 31.720 592 1HB ALA 10 1HB ALA 10 8.915 -35.675 33.681 593 2HB ALA 10 2HB ALA 10 7.858 -34.682 32.701 594 3HB ALA 10 3HB ALA 10 8.543 -34.028 34.177 595 H ASP 11 H ASP 11 9.540 -33.436 30.166 596 HA ASP 11 HA ASP 11 8.852 -30.654 30.838 597 1HB ASP 11 1HB ASP 11 11.234 -30.690 30.185 598 2HB ASP 11 2HB ASP 11 10.794 -31.488 28.679 599 HA PRO 12 HA PRO 12 5.321 -31.507 28.322 600 1HB PRO 12 1HB PRO 12 5.082 -28.882 27.269 601 2HB PRO 12 2HB PRO 12 4.281 -29.507 28.716 602 1HG PRO 12 1HG PRO 12 6.755 -27.866 28.462 603 2HG PRO 12 2HG PRO 12 5.534 -27.867 29.738 604 1HD PRO 12 1HD PRO 12 7.954 -28.997 30.092 605 2HD PRO 12 2HD PRO 12 6.493 -29.709 30.821 606 H THR 13 H THR 13 7.993 -29.653 26.972 607 HA THR 13 HA THR 13 8.970 -29.562 24.935 608 HB THR 13 HB THR 13 7.738 -32.261 24.314 609 HG1 THR 13 HG1 THR 13 8.877 -32.056 26.437 610 1HG2 THR 13 1HG2 THR 13 9.768 -32.562 22.979 611 2HG2 THR 13 2HG2 THR 13 10.367 -30.970 23.478 612 3HG2 THR 13 3HG2 THR 13 8.931 -31.087 22.471 613 H GLN 14 H GLN 14 7.618 -27.820 24.353 614 HA GLN 14 HA GLN 14 5.800 -28.450 22.120 615 1HB GLN 14 1HB GLN 14 4.411 -28.102 24.158 616 2HB GLN 14 2HB GLN 14 5.116 -26.509 24.361 617 1HG GLN 14 1HG GLN 14 2.925 -26.336 23.365 618 2HG GLN 14 2HG GLN 14 4.155 -25.823 22.209 619 1HE2 GLN 14 2HE2 GLN 14 2.812 -26.186 20.461 620 2HE2 GLN 14 1HE2 GLN 14 2.417 -27.777 19.919 621 H ALA 15 H ALA 15 6.365 -27.311 20.400 622 HA ALA 15 HA ALA 15 8.215 -25.096 20.627 623 1HB ALA 15 1HB ALA 15 7.029 -26.383 18.177 624 2HB ALA 15 2HB ALA 15 8.579 -26.781 18.917 625 3HB ALA 15 3HB ALA 15 8.344 -25.195 18.201 626 H ALA 16 H ALA 16 6.625 -23.733 21.775 627 HA ALA 16 HA ALA 16 4.312 -22.737 20.462 628 1HB ALA 16 1HB ALA 16 4.546 -22.688 22.907 629 2HB ALA 16 2HB ALA 16 4.237 -21.099 22.239 630 3HB ALA 16 3HB ALA 16 5.861 -21.511 22.749 631 H SER 17 H SER 17 4.459 -21.654 18.621 632 HA SER 17 HA SER 17 6.140 -19.292 18.455 633 1HB SER 17 1HB SER 17 7.616 -21.135 17.680 634 2HB SER 17 2HB SER 17 6.440 -21.545 16.449 635 HG SER 17 HG SER 17 7.716 -19.018 16.677 636 H SER 18 H SER 18 4.608 -17.883 17.916 637 HA SER 18 HA SER 18 2.730 -18.538 15.745 638 1HB SER 18 1HB SER 18 1.650 -17.934 17.868 639 2HB SER 18 2HB SER 18 2.524 -16.395 17.875 640 HG SER 18 HG SER 18 0.803 -15.721 16.823 641 HA PRO 19 HA PRO 19 5.604 -15.793 13.558 642 1HB PRO 19 1HB PRO 19 4.394 -16.151 11.099 643 2HB PRO 19 2HB PRO 19 5.643 -17.212 11.761 644 1HG PRO 19 1HG PRO 19 2.668 -17.533 11.782 645 2HG PRO 19 2HG PRO 19 3.919 -18.756 11.452 646 1HD PRO 19 1HD PRO 19 2.672 -18.612 13.822 647 2HD PRO 19 2HD PRO 19 4.391 -19.022 13.710 648 H GLY 20 H GLY 20 4.775 -13.951 14.647 649 1HA GLY 20 1HA GLY 20 2.373 -12.642 13.817 650 2HA GLY 20 2HA GLY 20 3.688 -11.911 14.750 651 H GLY 21 H GLY 21 5.736 -11.564 13.438 652 1HA GLY 21 1HA GLY 21 6.814 -10.551 11.674 653 2HA GLY 21 2HA GLY 21 5.567 -11.204 10.614 654 H ALA 22 H ALA 22 5.857 -8.663 13.152 655 HA ALA 22 HA ALA 22 4.198 -6.915 11.482 656 1HB ALA 22 1HB ALA 22 5.023 -6.668 14.393 657 2HB ALA 22 2HB ALA 22 3.438 -7.127 13.785 658 3HB ALA 22 3HB ALA 22 4.044 -5.499 13.506 659 H ARG 23 H ARG 23 5.135 -5.195 10.449 660 HA ARG 23 HA ARG 23 7.970 -4.648 11.009 661 1HB ARG 23 1HB ARG 23 8.610 -5.092 8.694 662 2HB ARG 23 2HB ARG 23 7.915 -6.538 9.407 663 1HG ARG 23 1HG ARG 23 5.728 -5.879 8.280 664 2HG ARG 23 2HG ARG 23 6.673 -4.715 7.360 665 1HD ARG 23 1HD ARG 23 8.135 -6.603 6.620 666 2HD ARG 23 2HD ARG 23 7.007 -7.715 7.405 667 HE ARG 23 HE ARG 23 6.502 -6.085 5.017 668 1HH1 ARG 23 1HH1 ARG 23 5.408 -8.591 7.186 669 2HH1 ARG 23 2HH1 ARG 23 4.266 -9.266 6.058 670 1HH2 ARG 23 1HH2 ARG 23 4.995 -6.979 3.502 671 2HH2 ARG 23 2HH2 ARG 23 4.054 -8.363 3.963 672 H ALA 24 H ALA 24 8.747 -2.746 9.917 673 HA ALA 24 HA ALA 24 6.589 -0.802 9.444 674 1HB ALA 24 1HB ALA 24 7.891 -0.321 11.439 675 2HB ALA 24 2HB ALA 24 8.163 0.907 10.205 676 3HB ALA 24 3HB ALA 24 9.376 -0.345 10.486 677 H VAL 25 H VAL 25 6.441 0.139 7.538 678 HA VAL 25 HA VAL 25 8.748 0.024 5.699 679 HB VAL 25 HB VAL 25 7.128 -0.036 3.820 680 1HG1 VAL 25 1HG1 VAL 25 8.093 -2.108 4.677 681 2HG1 VAL 25 2HG1 VAL 25 6.462 -2.359 4.048 682 3HG1 VAL 25 3HG1 VAL 25 6.728 -2.284 5.789 683 1HG2 VAL 25 1HG2 VAL 25 5.082 -0.294 6.035 684 2HG2 VAL 25 2HG2 VAL 25 4.754 -0.593 4.324 685 3HG2 VAL 25 3HG2 VAL 25 5.207 1.022 4.854 686 H SER 26 H SER 26 9.167 1.850 4.470 687 HA SER 26 HA SER 26 8.052 4.270 5.702 688 1HB SER 26 1HB SER 26 10.101 5.348 4.605 689 2HB SER 26 2HB SER 26 10.395 4.219 5.929 690 HG SER 26 HG SER 26 10.347 3.198 3.318 691 H ILE 27 H ILE 27 7.484 6.062 4.541 692 HA ILE 27 HA ILE 27 6.951 5.766 1.653 693 HB ILE 27 HB ILE 27 5.128 6.844 3.814 694 1HG1 ILE 27 1HG1 ILE 27 3.390 5.641 2.411 695 2HG1 ILE 27 2HG1 ILE 27 4.687 5.068 1.377 696 1HG2 ILE 27 1HG2 ILE 27 5.007 7.684 0.921 697 2HG2 ILE 27 2HG2 ILE 27 5.340 8.714 2.298 698 3HG2 ILE 27 3HG2 ILE 27 3.752 7.967 2.121 699 1HD1 ILE 27 1HD1 ILE 27 5.639 3.828 3.215 700 2HD1 ILE 27 2HD1 ILE 27 3.947 3.388 2.981 701 3HD1 ILE 27 3HD1 ILE 27 4.405 4.443 4.316 702 H VAL 28 H VAL 28 7.897 7.332 0.498 703 HA VAL 28 HA VAL 28 9.135 9.549 1.982 704 HB VAL 28 HB VAL 28 10.613 9.808 -0.058 705 1HG1 VAL 28 1HG1 VAL 28 12.025 7.838 0.435 706 2HG1 VAL 28 2HG1 VAL 28 10.656 7.081 1.297 707 3HG1 VAL 28 3HG1 VAL 28 11.388 8.562 1.916 708 1HG2 VAL 28 1HG2 VAL 28 9.152 8.734 -1.728 709 2HG2 VAL 28 2HG2 VAL 28 9.356 7.186 -0.892 710 3HG2 VAL 28 3HG2 VAL 28 10.732 7.950 -1.664 711 H GLY 29 H GLY 29 7.658 11.127 2.062 712 1HA GLY 29 1HA GLY 29 6.535 12.979 1.218 713 2HA GLY 29 2HA GLY 29 6.884 12.454 -0.424 714 H ASN 30 H ASN 30 5.709 10.563 -1.205 715 HA ASN 30 HA ASN 30 3.478 9.513 0.272 716 1HB ASN 30 1HB ASN 30 1.686 10.147 -1.209 717 2HB ASN 30 2HB ASN 30 2.485 11.631 -0.693 718 1HD2 ASN 30 2HD2 ASN 30 0.796 11.065 -2.990 719 2HD2 ASN 30 1HD2 ASN 30 1.730 11.506 -4.391 720 H GLN 31 H GLN 31 5.983 8.782 -1.138 721 HA GLN 31 HA GLN 31 4.951 6.939 -3.180 722 1HB GLN 31 1HB GLN 31 6.696 8.663 -3.844 723 2HB GLN 31 2HB GLN 31 7.830 7.820 -2.786 724 1HG GLN 31 1HG GLN 31 7.346 5.730 -4.148 725 2HG GLN 31 2HG GLN 31 6.523 6.785 -5.289 726 1HE2 GLN 31 2HE2 GLN 31 9.592 5.867 -3.921 727 2HE2 GLN 31 1HE2 GLN 31 10.577 6.626 -5.114 728 H ILE 32 H ILE 32 6.026 4.854 -3.283 729 HA ILE 32 HA ILE 32 7.508 3.811 -1.068 730 HB ILE 32 HB ILE 32 5.209 3.860 -0.069 731 1HG1 ILE 32 1HG1 ILE 32 6.311 1.068 -0.561 732 2HG1 ILE 32 2HG1 ILE 32 6.860 2.189 0.679 733 1HG2 ILE 32 1HG2 ILE 32 3.509 2.292 -0.917 734 2HG2 ILE 32 2HG2 ILE 32 4.567 1.882 -2.271 735 3HG2 ILE 32 3HG2 ILE 32 3.914 3.509 -2.124 736 1HD1 ILE 32 1HD1 ILE 32 5.436 0.537 1.658 737 2HD1 ILE 32 2HD1 ILE 32 4.152 0.919 0.522 738 3HD1 ILE 32 3HD1 ILE 32 4.639 2.106 1.723 739 H ASP 33 H ASP 33 8.261 1.629 -1.517 740 HA ASP 33 HA ASP 33 7.963 0.963 -4.365 741 1HB ASP 33 1HB ASP 33 10.291 1.357 -3.291 742 2HB ASP 33 2HB ASP 33 10.056 -0.212 -2.535 743 H SER 34 H SER 34 7.437 -1.092 -5.029 744 HA SER 34 HA SER 34 5.584 -2.563 -3.518 745 1HB SER 34 1HB SER 34 5.914 -4.302 -5.332 746 2HB SER 34 2HB SER 34 5.534 -2.680 -5.921 747 HG SER 34 HG SER 34 8.119 -2.712 -5.780 748 H ARG 35 H ARG 35 9.039 -2.696 -3.622 749 HA ARG 35 HA ARG 35 9.385 -5.398 -2.744 750 1HB ARG 35 1HB ARG 35 11.280 -3.048 -2.534 751 2HB ARG 35 2HB ARG 35 11.706 -4.722 -2.210 752 1HG ARG 35 1HG ARG 35 10.749 -3.661 -4.861 753 2HG ARG 35 2HG ARG 35 12.420 -3.955 -4.444 754 1HD ARG 35 1HD ARG 35 10.275 -6.057 -4.434 755 2HD ARG 35 2HD ARG 35 11.367 -5.777 -5.779 756 HE ARG 35 HE ARG 35 12.174 -6.743 -3.097 757 1HH1 ARG 35 1HH1 ARG 35 12.771 -6.381 -6.520 758 2HH1 ARG 35 2HH1 ARG 35 14.140 -7.480 -6.528 759 1HH2 ARG 35 1HH2 ARG 35 13.948 -8.164 -3.086 760 2HH2 ARG 35 2HH2 ARG 35 14.796 -8.498 -4.574 761 H GLU 36 H GLU 36 9.265 -2.244 -1.135 762 HA GLU 36 HA GLU 36 9.926 -3.014 1.432 763 1HB GLU 36 1HB GLU 36 7.952 -0.876 0.546 764 2HB GLU 36 2HB GLU 36 8.671 -0.982 2.158 765 1HG GLU 36 1HG GLU 36 10.902 -0.744 1.104 766 2HG GLU 36 2HG GLU 36 10.135 -0.515 -0.457 767 H LEU 37 H LEU 37 6.721 -2.943 -0.075 768 HA LEU 37 HA LEU 37 5.384 -4.010 2.227 769 1HB LEU 37 1HB LEU 37 4.506 -3.822 -0.671 770 2HB LEU 37 2HB LEU 37 3.468 -4.325 0.658 771 HG LEU 37 HG LEU 37 4.750 -1.604 0.409 772 1HD1 LEU 37 1HD1 LEU 37 1.922 -2.485 -0.128 773 2HD1 LEU 37 2HD1 LEU 37 3.094 -1.943 -1.331 774 3HD1 LEU 37 3HD1 LEU 37 2.494 -0.809 -0.121 775 1HD2 LEU 37 1HD2 LEU 37 2.660 -2.633 2.332 776 2HD2 LEU 37 2HD2 LEU 37 3.258 -0.968 2.251 777 3HD2 LEU 37 3HD2 LEU 37 4.337 -2.287 2.726 778 H PHE 38 H PHE 38 6.410 -5.438 -0.880 779 HA PHE 38 HA PHE 38 5.303 -8.037 0.005 780 1HB PHE 38 1HB PHE 38 6.112 -7.118 -2.774 781 2HB PHE 38 2HB PHE 38 5.288 -8.615 -2.360 782 HD1 PHE 38 HD1 PHE 38 2.974 -8.351 -1.145 783 HD2 PHE 38 HD2 PHE 38 4.876 -5.263 -3.386 784 HE1 PHE 38 HE1 PHE 38 0.815 -7.224 -1.412 785 HE2 PHE 38 HE2 PHE 38 2.702 -4.149 -3.683 786 HZ PHE 38 HZ PHE 38 0.671 -5.133 -2.702 787 H THR 39 H THR 39 8.017 -7.057 0.880 788 HA THR 39 HA THR 39 9.844 -8.758 -0.594 789 HB THR 39 HB THR 39 10.593 -6.623 0.488 790 HG1 THR 39 HG1 THR 39 12.072 -8.359 0.011 791 1HG2 THR 39 1HG2 THR 39 10.339 -8.177 3.069 792 2HG2 THR 39 2HG2 THR 39 9.322 -6.821 2.583 793 3HG2 THR 39 3HG2 THR 39 11.038 -6.570 2.880 794 H VAL 40 H VAL 40 7.868 -9.025 2.273 795 HA VAL 40 HA VAL 40 9.129 -11.543 3.078 796 HB VAL 40 HB VAL 40 6.863 -10.009 4.380 797 1HG1 VAL 40 1HG1 VAL 40 7.268 -11.483 6.330 798 2HG1 VAL 40 2HG1 VAL 40 8.434 -12.401 5.374 799 3HG1 VAL 40 3HG1 VAL 40 6.730 -12.372 4.902 800 1HG2 VAL 40 1HG2 VAL 40 9.769 -10.190 5.168 801 2HG2 VAL 40 2HG2 VAL 40 8.521 -9.355 6.082 802 3HG2 VAL 40 3HG2 VAL 40 8.984 -8.795 4.482 803 H ASP 41 H ASP 41 5.707 -10.700 3.178 804 HA ASP 41 HA ASP 41 4.981 -13.085 1.712 805 1HB ASP 41 1HB ASP 41 2.627 -12.147 2.079 806 2HB ASP 41 2HB ASP 41 3.521 -12.577 3.534 807 H ARG 42 H ARG 42 2.946 -12.392 0.053 808 HA ARG 42 HA ARG 42 4.103 -10.332 -1.721 809 1HB ARG 42 1HB ARG 42 4.672 -12.678 -2.423 810 2HB ARG 42 2HB ARG 42 2.960 -12.989 -2.645 811 1HG ARG 42 1HG ARG 42 2.807 -11.460 -4.451 812 2HG ARG 42 2HG ARG 42 4.393 -10.769 -4.058 813 1HD ARG 42 1HD ARG 42 3.921 -13.609 -5.030 814 2HD ARG 42 2HD ARG 42 4.451 -12.265 -6.048 815 HE ARG 42 HE ARG 42 6.239 -12.386 -3.922 816 1HH1 ARG 42 1HH1 ARG 42 5.283 -14.448 -6.595 817 2HH1 ARG 42 2HH1 ARG 42 6.835 -15.228 -6.724 818 1HH2 ARG 42 1HH2 ARG 42 8.284 -13.400 -4.110 819 2HH2 ARG 42 2HH2 ARG 42 8.529 -14.630 -5.310 820 H GLU 43 H GLU 43 1.715 -10.752 0.235 821 HA GLU 43 HA GLU 43 -0.171 -9.273 -1.427 822 1HB GLU 43 1HB GLU 43 -0.899 -11.642 -1.564 823 2HB GLU 43 2HB GLU 43 -0.982 -11.709 0.206 824 1HG GLU 43 1HG GLU 43 -2.719 -9.937 0.122 825 2HG GLU 43 2HG GLU 43 -2.669 -9.985 -1.627 826 H ILE 44 H ILE 44 -1.201 -7.706 -0.283 827 HA ILE 44 HA ILE 44 -0.701 -7.563 2.623 828 HB ILE 44 HB ILE 44 -0.563 -5.297 0.607 829 1HG1 ILE 44 1HG1 ILE 44 1.479 -6.707 0.686 830 2HG1 ILE 44 2HG1 ILE 44 1.788 -5.060 1.240 831 1HG2 ILE 44 1HG2 ILE 44 -0.072 -3.831 2.507 832 2HG2 ILE 44 2HG2 ILE 44 -0.255 -5.192 3.615 833 3HG2 ILE 44 3HG2 ILE 44 -1.646 -4.610 2.697 834 1HD1 ILE 44 1HD1 ILE 44 1.432 -7.519 2.963 835 2HD1 ILE 44 2HD1 ILE 44 1.678 -5.873 3.550 836 3HD1 ILE 44 3HD1 ILE 44 2.944 -6.667 2.620 837 H VAL 45 H VAL 45 -2.463 -6.933 3.849 838 HA VAL 45 HA VAL 45 -4.992 -6.718 2.342 839 HB VAL 45 HB VAL 45 -4.585 -7.495 5.246 840 1HG1 VAL 45 1HG1 VAL 45 -6.743 -6.444 4.873 841 2HG1 VAL 45 2HG1 VAL 45 -6.972 -8.161 5.155 842 3HG1 VAL 45 3HG1 VAL 45 -7.072 -7.523 3.518 843 1HG2 VAL 45 1HG2 VAL 45 -5.234 -9.241 2.862 844 2HG2 VAL 45 2HG2 VAL 45 -5.195 -9.777 4.549 845 3HG2 VAL 45 3HG2 VAL 45 -3.712 -9.229 3.750 846 H ILE 46 H ILE 46 -5.398 -4.664 2.040 847 HA ILE 46 HA ILE 46 -4.944 -2.682 4.080 848 HB ILE 46 HB ILE 46 -6.351 -2.350 1.413 849 1HG1 ILE 46 1HG1 ILE 46 -3.446 -1.816 2.095 850 2HG1 ILE 46 2HG1 ILE 46 -4.016 -3.221 1.208 851 1HG2 ILE 46 1HG2 ILE 46 -6.840 -0.526 2.945 852 2HG2 ILE 46 2HG2 ILE 46 -5.753 0.047 1.682 853 3HG2 ILE 46 3HG2 ILE 46 -5.136 -0.322 3.303 854 1HD1 ILE 46 1HD1 ILE 46 -3.104 -1.491 -0.240 855 2HD1 ILE 46 2HD1 ILE 46 -4.353 -0.371 0.317 856 3HD1 ILE 46 3HD1 ILE 46 -4.801 -1.815 -0.583 857 H ALA 47 H ALA 47 -6.315 -2.658 5.782 858 HA ALA 47 HA ALA 47 -9.140 -3.203 5.396 859 1HB ALA 47 1HB ALA 47 -7.608 -2.491 7.905 860 2HB ALA 47 2HB ALA 47 -7.977 -4.126 7.341 861 3HB ALA 47 3HB ALA 47 -9.281 -3.042 7.833 862 H HIS 48 H HIS 48 -10.730 -1.702 5.483 863 HA HIS 48 HA HIS 48 -10.036 1.088 6.049 864 1HB HIS 48 1HB HIS 48 -9.604 0.981 3.687 865 2HB HIS 48 2HB HIS 48 -11.058 0.066 3.399 866 HD1 HIS 48 HD1 HIS 48 -10.041 3.541 4.487 867 HD2 HIS 48 HD2 HIS 48 -13.216 1.540 2.682 868 HE1 HIS 48 HE1 HIS 48 -11.658 5.327 3.790 869 HE2 HIS 48 HE2 HIS 48 -13.683 4.064 2.983 870 H GLY 49 H GLY 49 -11.483 1.140 7.827 871 1HA GLY 49 1HA GLY 49 -13.550 1.905 8.539 872 2HA GLY 49 2HA GLY 49 -14.282 1.310 7.043 873 H ASP 50 H ASP 50 -14.635 -0.944 6.792 874 HA ASP 50 HA ASP 50 -14.016 -2.703 9.030 875 1HB ASP 50 1HB ASP 50 -16.339 -1.770 9.422 876 2HB ASP 50 2HB ASP 50 -16.840 -2.564 7.940 877 H ASP 51 H ASP 51 -14.450 -2.012 5.758 878 HA ASP 51 HA ASP 51 -14.737 -4.739 4.826 879 1HB ASP 51 1HB ASP 51 -15.726 -2.708 3.633 880 2HB ASP 51 2HB ASP 51 -14.075 -2.260 3.199 881 H ARG 52 H ARG 52 -13.084 -5.660 3.314 882 HA ARG 52 HA ARG 52 -10.357 -4.892 4.169 883 1HB ARG 52 1HB ARG 52 -11.410 -7.740 3.840 884 2HB ARG 52 2HB ARG 52 -9.779 -7.293 4.320 885 1HG ARG 52 1HG ARG 52 -12.243 -6.635 5.915 886 2HG ARG 52 2HG ARG 52 -11.240 -8.050 6.181 887 1HD ARG 52 1HD ARG 52 -9.331 -6.626 6.718 888 2HD ARG 52 2HD ARG 52 -10.287 -5.183 6.376 889 HE ARG 52 HE ARG 52 -11.769 -6.295 8.278 890 1HH1 ARG 52 1HH1 ARG 52 -8.260 -6.061 8.166 891 2HH1 ARG 52 2HH1 ARG 52 -8.119 -5.833 9.875 892 1HH2 ARG 52 1HH2 ARG 52 -11.542 -6.004 10.516 893 2HH2 ARG 52 2HH2 ARG 52 -9.967 -5.793 11.209 894 H TYR 53 H TYR 53 -9.056 -4.541 2.498 895 HA TYR 53 HA TYR 53 -9.691 -5.689 -0.140 896 1HB TYR 53 1HB TYR 53 -8.292 -3.133 0.606 897 2HB TYR 53 2HB TYR 53 -8.237 -3.803 -1.004 898 HD1 TYR 53 HD2 TYR 53 -10.554 -2.384 1.541 899 HD2 TYR 53 HD1 TYR 53 -10.002 -3.521 -2.542 900 HE1 TYR 53 HE2 TYR 53 -12.641 -1.245 0.947 901 HE2 TYR 53 HE1 TYR 53 -12.103 -2.370 -3.122 902 HH TYR 53 HH TYR 53 -14.215 -1.676 -1.999 903 H ARG 54 H ARG 54 -7.738 -6.114 -1.496 904 HA ARG 54 HA ARG 54 -5.402 -6.919 0.108 905 1HB ARG 54 1HB ARG 54 -6.867 -8.728 -1.844 906 2HB ARG 54 2HB ARG 54 -5.347 -9.110 -1.049 907 1HG ARG 54 1HG ARG 54 -6.501 -8.938 1.147 908 2HG ARG 54 2HG ARG 54 -8.023 -8.705 0.291 909 1HD ARG 54 1HD ARG 54 -7.764 -10.898 -0.759 910 2HD ARG 54 2HD ARG 54 -6.228 -11.123 0.061 911 HE ARG 54 HE ARG 54 -8.763 -10.830 1.516 912 1HH1 ARG 54 1HH1 ARG 54 -5.683 -12.414 1.033 913 2HH1 ARG 54 2HH1 ARG 54 -5.958 -13.594 2.267 914 1HH2 ARG 54 1HH2 ARG 54 -9.105 -12.316 3.188 915 2HH2 ARG 54 2HH2 ARG 54 -7.896 -13.511 3.538 916 H LEU 55 H LEU 55 -3.873 -5.719 -0.727 917 HA LEU 55 HA LEU 55 -3.629 -5.303 -3.597 918 1HB LEU 55 1HB LEU 55 -3.064 -3.541 -1.922 919 2HB LEU 55 2HB LEU 55 -1.744 -4.542 -1.353 920 HG LEU 55 HG LEU 55 -0.687 -4.385 -3.596 921 1HD1 LEU 55 1HD1 LEU 55 -1.514 -2.651 -5.144 922 2HD1 LEU 55 2HD1 LEU 55 -2.951 -2.434 -4.157 923 3HD1 LEU 55 3HD1 LEU 55 -2.650 -3.975 -4.968 924 1HD2 LEU 55 1HD2 LEU 55 -1.284 -1.743 -2.271 925 2HD2 LEU 55 2HD2 LEU 55 0.072 -2.064 -3.359 926 3HD2 LEU 55 3HD2 LEU 55 -0.018 -2.882 -1.798 927 H ARG 56 H ARG 56 -2.632 -6.784 -4.855 928 HA ARG 56 HA ARG 56 -0.865 -8.747 -3.560 929 1HB ARG 56 1HB ARG 56 -3.011 -9.772 -4.030 930 2HB ARG 56 2HB ARG 56 -2.940 -9.212 -5.693 931 1HG ARG 56 1HG ARG 56 -0.997 -10.654 -6.101 932 2HG ARG 56 2HG ARG 56 -1.092 -11.241 -4.441 933 1HD ARG 56 1HD ARG 56 -3.248 -11.528 -6.551 934 2HD ARG 56 2HD ARG 56 -2.143 -12.792 -6.009 935 HE ARG 56 HE ARG 56 -3.279 -12.094 -3.713 936 1HH1 ARG 56 1HH1 ARG 56 -4.754 -12.725 -6.823 937 2HH1 ARG 56 2HH1 ARG 56 -6.235 -13.301 -6.151 938 1HH2 ARG 56 1HH2 ARG 56 -5.221 -12.866 -2.804 939 2HH2 ARG 56 2HH2 ARG 56 -6.497 -13.415 -3.849 940 H LEU 57 H LEU 57 0.971 -9.337 -4.608 941 HA LEU 57 HA LEU 57 1.636 -7.810 -7.048 942 1HB LEU 57 1HB LEU 57 2.936 -7.198 -5.052 943 2HB LEU 57 2HB LEU 57 3.472 -8.847 -4.893 944 HG LEU 57 HG LEU 57 4.584 -8.657 -7.126 945 1HD1 LEU 57 1HD1 LEU 57 3.326 -6.782 -8.030 946 2HD1 LEU 57 2HD1 LEU 57 5.053 -6.418 -8.009 947 3HD1 LEU 57 3HD1 LEU 57 3.973 -5.718 -6.792 948 1HD2 LEU 57 1HD2 LEU 57 6.503 -7.355 -6.296 949 2HD2 LEU 57 2HD2 LEU 57 5.876 -8.506 -5.116 950 3HD2 LEU 57 3HD2 LEU 57 5.506 -6.781 -4.951 951 H THR 58 H THR 58 2.619 -8.867 -8.741 952 HA THR 58 HA THR 58 2.417 -11.747 -8.892 953 HB THR 58 HB THR 58 3.348 -11.439 -11.201 954 HG1 THR 58 HG1 THR 58 3.718 -8.856 -10.196 955 1HG2 THR 58 1HG2 THR 58 0.921 -11.327 -10.827 956 2HG2 THR 58 2HG2 THR 58 1.410 -10.221 -12.114 957 3HG2 THR 58 3HG2 THR 58 1.046 -9.596 -10.519 958 H SER 59 H SER 59 4.514 -12.740 -10.106 959 HA SER 59 HA SER 59 6.586 -12.967 -8.306 960 1HB SER 59 1HB SER 59 6.216 -14.455 -10.323 961 2HB SER 59 2HB SER 59 6.932 -13.189 -11.321 962 HG SER 59 HG SER 59 8.205 -14.465 -9.128 963 H GLN 60 H GLN 60 6.659 -10.974 -11.302 964 HA GLN 60 HA GLN 60 7.979 -8.823 -9.892 965 1HB GLN 60 1HB GLN 60 9.848 -10.352 -10.524 966 2HB GLN 60 2HB GLN 60 9.406 -10.144 -12.209 967 1HG GLN 60 1HG GLN 60 11.301 -8.763 -11.698 968 2HG GLN 60 2HG GLN 60 9.894 -7.719 -11.976 969 1HE2 GLN 60 2HE2 GLN 60 12.333 -7.133 -10.563 970 2HE2 GLN 60 1HE2 GLN 60 11.893 -6.664 -8.946 971 H ASN 61 H ASN 61 5.779 -9.801 -12.103 972 HA ASN 61 HA ASN 61 6.197 -7.941 -14.225 973 1HB ASN 61 1HB ASN 61 4.925 -9.932 -14.702 974 2HB ASN 61 2HB ASN 61 3.753 -9.542 -13.448 975 1HD2 ASN 61 2HD2 ASN 61 5.108 -7.228 -15.728 976 2HD2 ASN 61 1HD2 ASN 61 3.624 -6.916 -16.555 977 H LYS 62 H LYS 62 3.339 -7.994 -12.115 978 HA LYS 62 HA LYS 62 3.565 -5.149 -11.596 979 1HB LYS 62 1HB LYS 62 1.359 -4.616 -12.509 980 2HB LYS 62 2HB LYS 62 2.430 -5.199 -13.769 981 1HG LYS 62 1HG LYS 62 1.373 -7.414 -13.674 982 2HG LYS 62 2HG LYS 62 0.286 -6.832 -12.418 983 1HD LYS 62 1HD LYS 62 -0.643 -5.182 -13.980 984 2HD LYS 62 2HD LYS 62 0.500 -5.703 -15.219 985 1HE LYS 62 1HE LYS 62 -1.651 -6.680 -15.680 986 2HE LYS 62 2HE LYS 62 -0.554 -7.957 -15.135 987 1HZ LYS 62 1HZ LYS 62 -2.778 -8.099 -14.126 988 2HZ LYS 62 2HZ LYS 62 -2.544 -6.585 -13.408 989 3HZ LYS 62 3HZ LYS 62 -1.567 -7.894 -12.967 990 H LEU 63 H LEU 63 1.135 -4.597 -10.614 991 HA LEU 63 HA LEU 63 0.477 -6.700 -8.692 992 1HB LEU 63 1HB LEU 63 0.367 -5.120 -6.852 993 2HB LEU 63 2HB LEU 63 1.977 -5.228 -7.505 994 HG LEU 63 HG LEU 63 0.100 -2.978 -8.212 995 1HD1 LEU 63 1HD1 LEU 63 1.200 -1.622 -6.539 996 2HD1 LEU 63 2HD1 LEU 63 2.167 -2.998 -6.029 997 3HD1 LEU 63 3HD1 LEU 63 0.420 -3.011 -5.780 998 1HD2 LEU 63 1HD2 LEU 63 2.201 -1.817 -8.762 999 2HD2 LEU 63 2HD2 LEU 63 1.968 -3.255 -9.751 1000 3HD2 LEU 63 3HD2 LEU 63 3.096 -3.289 -8.399 1001 H ILE 64 H ILE 64 -1.606 -6.240 -7.573 1002 HA ILE 64 HA ILE 64 -3.457 -4.554 -9.054 1003 HB ILE 64 HB ILE 64 -5.104 -6.495 -9.275 1004 1HG1 ILE 64 1HG1 ILE 64 -3.863 -8.758 -9.628 1005 2HG1 ILE 64 2HG1 ILE 64 -2.591 -8.041 -8.646 1006 1HG2 ILE 64 1HG2 ILE 64 -4.028 -5.522 -11.208 1007 2HG2 ILE 64 2HG2 ILE 64 -4.179 -7.264 -11.407 1008 3HG2 ILE 64 3HG2 ILE 64 -2.625 -6.557 -10.990 1009 1HD1 ILE 64 1HD1 ILE 64 -5.439 -8.479 -7.777 1010 2HD1 ILE 64 2HD1 ILE 64 -4.142 -7.799 -6.798 1011 3HD1 ILE 64 3HD1 ILE 64 -4.046 -9.481 -7.340 1012 H LEU 65 H LEU 65 -5.694 -4.687 -8.047 1013 HA LEU 65 HA LEU 65 -5.469 -5.149 -5.137 1014 1HB LEU 65 1HB LEU 65 -5.575 -2.746 -5.719 1015 2HB LEU 65 2HB LEU 65 -7.090 -3.030 -6.562 1016 HG LEU 65 HG LEU 65 -8.121 -3.678 -4.395 1017 1HD1 LEU 65 1HD1 LEU 65 -5.514 -2.791 -3.204 1018 2HD1 LEU 65 2HD1 LEU 65 -6.118 -4.444 -3.241 1019 3HD1 LEU 65 3HD1 LEU 65 -6.964 -3.217 -2.315 1020 1HD2 LEU 65 1HD2 LEU 65 -6.858 -0.961 -4.395 1021 2HD2 LEU 65 2HD2 LEU 65 -8.259 -1.436 -3.452 1022 3HD2 LEU 65 3HD2 LEU 65 -8.351 -1.389 -5.217 1023 H THR 66 H THR 66 -6.613 -6.954 -4.720 1024 HA THR 66 HA THR 66 -9.279 -7.264 -5.917 1025 HB THR 66 HB THR 66 -7.733 -8.990 -6.715 1026 HG1 THR 66 HG1 THR 66 -9.345 -10.294 -4.777 1027 1HG2 THR 66 1HG2 THR 66 -6.702 -10.610 -5.181 1028 2HG2 THR 66 2HG2 THR 66 -7.326 -9.703 -3.808 1029 3HG2 THR 66 3HG2 THR 66 -6.131 -8.970 -4.857 1030 H LYS 67 H LYS 67 -10.597 -8.871 -4.454 1031 HA LYS 67 HA LYS 67 -10.092 -8.341 -1.590 1032 1HB LYS 67 1HB LYS 67 -12.751 -8.395 -3.046 1033 2HB LYS 67 2HB LYS 67 -12.582 -8.384 -1.299 1034 1HG LYS 67 1HG LYS 67 -11.390 -6.211 -1.471 1035 2HG LYS 67 2HG LYS 67 -11.740 -6.217 -3.206 1036 1HD LYS 67 1HD LYS 67 -13.340 -4.851 -1.959 1037 2HD LYS 67 2HD LYS 67 -14.124 -6.220 -2.747 1038 1HE LYS 67 1HE LYS 67 -14.193 -7.418 -0.639 1039 2HE LYS 67 2HE LYS 67 -13.265 -6.140 0.141 1040 1HZ LYS 67 1HZ LYS 67 -15.961 -5.778 -1.041 1041 2HZ LYS 67 2HZ LYS 67 -15.079 -4.637 -0.146 1042 3HZ LYS 67 3HZ LYS 67 -15.672 -6.033 0.605 Start of MODEL 7 1 1H MET 1 1H MET 1 -21.707 60.459 19.131 2 2H MET 1 2H MET 1 -21.079 59.997 20.622 3 3H MET 1 3H MET 1 -21.840 61.483 20.458 4 HA MET 1 HA MET 1 -23.230 59.887 21.601 5 1HB MET 1 1HB MET 1 -24.154 60.778 18.864 6 2HB MET 1 2HB MET 1 -25.227 60.122 20.082 7 1HG MET 1 1HG MET 1 -24.751 61.963 21.561 8 2HG MET 1 2HG MET 1 -23.542 62.589 20.437 9 1HE MET 1 1HE MET 1 -24.614 64.971 20.489 10 2HE MET 1 2HE MET 1 -25.845 64.419 21.635 11 3HE MET 1 3HE MET 1 -26.325 65.302 20.182 12 H MET 2 H MET 2 -24.034 58.929 18.321 13 HA MET 2 HA MET 2 -23.841 56.117 19.155 14 1HB MET 2 1HB MET 2 -25.159 57.376 16.728 15 2HB MET 2 2HB MET 2 -25.174 55.658 17.102 16 1HG MET 2 1HG MET 2 -26.410 56.131 19.173 17 2HG MET 2 2HG MET 2 -26.414 57.838 18.769 18 1HE MET 2 1HE MET 2 -28.625 54.599 16.348 19 2HE MET 2 2HE MET 2 -27.698 54.251 17.803 20 3HE MET 2 3HE MET 2 -26.879 54.762 16.323 21 H THR 3 H THR 3 -21.671 55.681 18.963 22 HA THR 3 HA THR 3 -20.391 56.071 16.351 23 HB THR 3 HB THR 3 -18.277 55.562 17.579 24 HG1 THR 3 HG1 THR 3 -18.847 55.951 20.061 25 1HG2 THR 3 1HG2 THR 3 -19.915 57.837 18.753 26 2HG2 THR 3 2HG2 THR 3 -19.025 57.900 17.228 27 3HG2 THR 3 3HG2 THR 3 -18.161 57.707 18.755 28 H ALA 4 H ALA 4 -18.898 54.269 15.681 29 HA ALA 4 HA ALA 4 -20.306 51.796 15.561 30 1HB ALA 4 1HB ALA 4 -17.454 52.389 14.775 31 2HB ALA 4 2HB ALA 4 -18.864 52.607 13.732 32 3HB ALA 4 3HB ALA 4 -18.401 50.988 14.275 33 H SER 5 H SER 5 -20.463 50.469 17.243 34 HA SER 5 HA SER 5 -18.633 50.532 19.448 35 1HB SER 5 1HB SER 5 -21.094 50.212 19.692 36 2HB SER 5 2HB SER 5 -20.928 48.625 18.954 37 HG SER 5 HG SER 5 -19.575 49.437 21.323 38 H ASP 6 H ASP 6 -18.697 48.916 16.516 39 HA ASP 6 HA ASP 6 -17.697 46.386 17.010 40 1HB ASP 6 1HB ASP 6 -18.265 47.102 14.760 41 2HB ASP 6 2HB ASP 6 -16.950 48.271 14.756 42 H ARG 7 H ARG 7 -16.064 45.719 18.129 43 HA ARG 7 HA ARG 7 -13.886 47.502 18.907 44 1HB ARG 7 1HB ARG 7 -13.293 45.686 20.434 45 2HB ARG 7 2HB ARG 7 -15.007 46.054 20.575 46 1HG ARG 7 1HG ARG 7 -15.578 44.133 19.250 47 2HG ARG 7 2HG ARG 7 -13.868 43.787 18.939 48 1HD ARG 7 1HD ARG 7 -13.522 43.426 21.355 49 2HD ARG 7 2HD ARG 7 -15.243 43.703 21.637 50 HE ARG 7 HE ARG 7 -15.131 41.705 19.741 51 1HH1 ARG 7 1HH1 ARG 7 -13.886 42.103 22.985 52 2HH1 ARG 7 2HH1 ARG 7 -13.978 40.423 23.382 53 1HH2 ARG 7 1HH2 ARG 7 -15.211 39.513 20.214 54 2HH2 ARG 7 2HH2 ARG 7 -14.688 38.927 21.764 55 H LEU 8 H LEU 8 -14.066 46.507 16.101 56 HA LEU 8 HA LEU 8 -12.789 45.650 14.440 57 1HB LEU 8 1HB LEU 8 -10.695 45.566 16.623 58 2HB LEU 8 2HB LEU 8 -10.357 45.078 14.983 59 HG LEU 8 HG LEU 8 -11.028 47.419 14.260 60 1HD1 LEU 8 1HD1 LEU 8 -10.939 49.178 15.916 61 2HD1 LEU 8 2HD1 LEU 8 -10.778 47.994 17.200 62 3HD1 LEU 8 3HD1 LEU 8 -12.269 48.059 16.276 63 1HD2 LEU 8 1HD2 LEU 8 -8.624 47.108 16.063 64 2HD2 LEU 8 2HD2 LEU 8 -8.868 48.376 14.860 65 3HD2 LEU 8 3HD2 LEU 8 -8.701 46.691 14.360 66 H GLY 9 H GLY 9 -14.391 44.040 16.401 67 1HA GLY 9 1HA GLY 9 -13.081 41.559 16.852 68 2HA GLY 9 2HA GLY 9 -14.798 41.860 17.011 69 H ALA 10 H ALA 10 -12.244 40.803 14.903 70 HA ALA 10 HA ALA 10 -14.187 39.257 13.378 71 1HB ALA 10 1HB ALA 10 -14.014 41.318 12.067 72 2HB ALA 10 2HB ALA 10 -13.281 39.981 11.186 73 3HB ALA 10 3HB ALA 10 -12.244 41.153 12.003 74 H ASP 11 H ASP 11 -13.258 37.430 12.353 75 HA ASP 11 HA ASP 11 -10.607 36.729 13.473 76 1HB ASP 11 1HB ASP 11 -12.481 35.536 14.527 77 2HB ASP 11 2HB ASP 11 -13.018 34.960 12.953 78 HA PRO 12 HA PRO 12 -9.932 36.091 9.006 79 1HB PRO 12 1HB PRO 12 -7.745 37.567 8.717 80 2HB PRO 12 2HB PRO 12 -9.315 38.343 9.007 81 1HG PRO 12 1HG PRO 12 -7.042 37.917 10.887 82 2HG PRO 12 2HG PRO 12 -8.161 39.272 10.779 83 1HD PRO 12 1HD PRO 12 -8.347 37.046 12.550 84 2HD PRO 12 2HD PRO 12 -9.581 38.314 12.302 85 H THR 13 H THR 13 -8.464 34.882 11.708 86 HA THR 13 HA THR 13 -5.935 34.088 10.658 87 HB THR 13 HB THR 13 -6.167 34.408 13.050 88 HG1 THR 13 HG1 THR 13 -4.764 32.872 13.369 89 1HG2 THR 13 1HG2 THR 13 -8.118 32.102 12.990 90 2HG2 THR 13 2HG2 THR 13 -8.493 33.791 13.346 91 3HG2 THR 13 3HG2 THR 13 -7.481 32.860 14.446 92 H GLN 14 H GLN 14 -5.872 32.739 8.982 93 HA GLN 14 HA GLN 14 -6.826 30.039 9.301 94 1HB GLN 14 1HB GLN 14 -8.842 31.091 8.410 95 2HB GLN 14 2HB GLN 14 -7.929 31.758 7.068 96 1HG GLN 14 1HG GLN 14 -7.443 29.468 6.273 97 2HG GLN 14 2HG GLN 14 -8.405 28.831 7.608 98 1HE2 GLN 14 2HE2 GLN 14 -8.474 30.552 4.598 99 2HE2 GLN 14 1HE2 GLN 14 -10.164 30.389 4.288 100 H ALA 15 H ALA 15 -5.029 28.960 8.777 101 HA ALA 15 HA ALA 15 -3.588 29.702 6.306 102 1HB ALA 15 1HB ALA 15 -2.394 28.555 8.834 103 2HB ALA 15 2HB ALA 15 -2.220 30.213 8.273 104 3HB ALA 15 3HB ALA 15 -1.520 28.886 7.334 105 H ALA 16 H ALA 16 -4.092 28.218 4.829 106 HA ALA 16 HA ALA 16 -5.285 25.770 5.250 107 1HB ALA 16 1HB ALA 16 -4.745 25.282 2.914 108 2HB ALA 16 2HB ALA 16 -3.610 26.628 2.894 109 3HB ALA 16 3HB ALA 16 -5.326 26.933 3.105 110 H SER 17 H SER 17 -4.436 24.188 6.468 111 HA SER 17 HA SER 17 -1.679 23.734 6.853 112 1HB SER 17 1HB SER 17 -4.003 21.804 7.289 113 2HB SER 17 2HB SER 17 -2.391 21.677 7.998 114 HG SER 17 HG SER 17 -3.357 24.105 8.542 115 H SER 18 H SER 18 -0.442 23.307 5.117 116 HA SER 18 HA SER 18 -1.262 21.736 2.893 117 1HB SER 18 1HB SER 18 1.249 21.810 2.351 118 2HB SER 18 2HB SER 18 0.416 23.358 2.480 119 HG SER 18 HG SER 18 1.889 22.153 4.586 120 HA PRO 19 HA PRO 19 -0.536 17.798 4.899 121 1HB PRO 19 1HB PRO 19 -1.352 16.218 2.905 122 2HB PRO 19 2HB PRO 19 -2.496 17.204 3.828 123 1HG PRO 19 1HG PRO 19 -1.295 17.737 1.119 124 2HG PRO 19 2HG PRO 19 -2.980 17.917 1.665 125 1HD PRO 19 1HD PRO 19 -1.190 19.994 1.509 126 2HD PRO 19 2HD PRO 19 -2.558 19.974 2.638 127 H GLY 20 H GLY 20 0.290 15.522 3.606 128 1HA GLY 20 1HA GLY 20 2.016 14.585 2.327 129 2HA GLY 20 2HA GLY 20 2.734 16.179 2.140 130 H GLY 21 H GLY 21 4.766 15.553 2.760 131 1HA GLY 21 1HA GLY 21 6.423 15.557 4.401 132 2HA GLY 21 2HA GLY 21 5.203 15.237 5.619 133 H ALA 22 H ALA 22 7.347 13.716 5.962 134 HA ALA 22 HA ALA 22 6.960 11.202 4.483 135 1HB ALA 22 1HB ALA 22 9.105 10.528 5.455 136 2HB ALA 22 2HB ALA 22 9.185 12.046 6.336 137 3HB ALA 22 3HB ALA 22 9.248 12.048 4.565 138 H ARG 23 H ARG 23 5.836 9.604 5.409 139 HA ARG 23 HA ARG 23 5.534 9.623 8.329 140 1HB ARG 23 1HB ARG 23 3.203 8.733 7.950 141 2HB ARG 23 2HB ARG 23 3.437 10.413 7.492 142 1HG ARG 23 1HG ARG 23 3.748 9.614 5.106 143 2HG ARG 23 2HG ARG 23 3.206 8.017 5.658 144 1HD ARG 23 1HD ARG 23 1.078 8.901 6.330 145 2HD ARG 23 2HD ARG 23 1.608 10.555 6.022 146 HE ARG 23 HE ARG 23 0.630 8.654 4.090 147 1HH1 ARG 23 1HH1 ARG 23 2.664 11.487 4.512 148 2HH1 ARG 23 2HH1 ARG 23 2.429 12.078 2.887 149 1HH2 ARG 23 1HH2 ARG 23 0.308 9.434 1.969 150 2HH2 ARG 23 2HH2 ARG 23 1.031 10.925 1.452 151 H ALA 24 H ALA 24 5.646 7.672 9.326 152 HA ALA 24 HA ALA 24 6.570 5.428 7.669 153 1HB ALA 24 1HB ALA 24 7.641 4.585 9.712 154 2HB ALA 24 2HB ALA 24 6.968 5.936 10.633 155 3HB ALA 24 3HB ALA 24 8.161 6.233 9.363 156 H VAL 25 H VAL 25 5.359 3.653 7.498 157 HA VAL 25 HA VAL 25 3.140 3.253 9.397 158 HB VAL 25 HB VAL 25 1.812 2.294 7.569 159 1HG1 VAL 25 1HG1 VAL 25 2.784 5.087 7.015 160 2HG1 VAL 25 2HG1 VAL 25 1.518 4.639 8.143 161 3HG1 VAL 25 3HG1 VAL 25 1.287 4.389 6.403 162 1HG2 VAL 25 1HG2 VAL 25 3.580 1.512 6.130 163 2HG2 VAL 25 2HG2 VAL 25 4.130 3.152 5.823 164 3HG2 VAL 25 3HG2 VAL 25 2.555 2.617 5.225 165 H SER 26 H SER 26 2.751 1.160 10.069 166 HA SER 26 HA SER 26 4.950 -0.701 9.509 167 1HB SER 26 1HB SER 26 2.984 -0.648 11.818 168 2HB SER 26 2HB SER 26 4.327 -1.784 11.649 169 HG SER 26 HG SER 26 4.640 1.031 11.710 170 H ILE 27 H ILE 27 4.537 -2.949 9.402 171 HA ILE 27 HA ILE 27 1.896 -3.693 8.331 172 HB ILE 27 HB ILE 27 4.551 -4.855 7.442 173 1HG1 ILE 27 1HG1 ILE 27 4.311 -2.545 6.672 174 2HG1 ILE 27 2HG1 ILE 27 4.274 -3.681 5.333 175 1HG2 ILE 27 1HG2 ILE 27 2.740 -6.460 7.268 176 2HG2 ILE 27 2HG2 ILE 27 3.234 -5.930 5.658 177 3HG2 ILE 27 3HG2 ILE 27 1.757 -5.292 6.375 178 1HD1 ILE 27 1HD1 ILE 27 1.852 -3.490 5.219 179 2HD1 ILE 27 2HD1 ILE 27 2.637 -1.911 5.035 180 3HD1 ILE 27 3HD1 ILE 27 1.885 -2.355 6.560 181 H VAL 28 H VAL 28 1.006 -5.378 9.456 182 HA VAL 28 HA VAL 28 2.726 -6.809 11.364 183 HB VAL 28 HB VAL 28 0.529 -7.352 12.563 184 1HG1 VAL 28 1HG1 VAL 28 0.452 -5.159 13.675 185 2HG1 VAL 28 2HG1 VAL 28 1.444 -4.458 12.391 186 3HG1 VAL 28 3HG1 VAL 28 2.106 -5.721 13.431 187 1HG2 VAL 28 1HG2 VAL 28 -1.001 -6.829 10.756 188 2HG2 VAL 28 2HG2 VAL 28 -0.509 -5.141 10.790 189 3HG2 VAL 28 3HG2 VAL 28 -1.343 -5.839 12.169 190 H GLY 29 H GLY 29 3.389 -8.559 10.302 191 1HA GLY 29 1HA GLY 29 3.275 -10.713 9.479 192 2HA GLY 29 2HA GLY 29 1.511 -10.608 9.541 193 H ASN 30 H ASN 30 0.507 -9.168 7.969 194 HA ASN 30 HA ASN 30 1.966 -8.184 5.734 195 1HB ASN 30 1HB ASN 30 0.928 -9.512 3.970 196 2HB ASN 30 2HB ASN 30 1.788 -10.564 5.100 197 1HD2 ASN 30 2HD2 ASN 30 -0.385 -11.140 3.239 198 2HD2 ASN 30 1HD2 ASN 30 -1.667 -11.807 4.178 199 H GLN 31 H GLN 31 0.023 -7.448 7.864 200 HA GLN 31 HA GLN 31 -2.301 -6.570 6.253 201 1HB GLN 31 1HB GLN 31 -2.791 -8.059 8.199 202 2HB GLN 31 2HB GLN 31 -2.053 -6.894 9.283 203 1HG GLN 31 1HG GLN 31 -3.778 -5.250 8.660 204 2HG GLN 31 2HG GLN 31 -4.506 -6.425 7.580 205 1HE2 GLN 31 2HE2 GLN 31 -6.463 -6.439 8.713 206 2HE2 GLN 31 1HE2 GLN 31 -6.629 -7.163 10.265 207 H ILE 32 H ILE 32 -3.093 -4.435 6.575 208 HA ILE 32 HA ILE 32 -1.590 -2.466 8.032 209 HB ILE 32 HB ILE 32 -0.100 -2.732 6.029 210 1HG1 ILE 32 1HG1 ILE 32 -1.604 -0.091 6.218 211 2HG1 ILE 32 2HG1 ILE 32 -0.162 -0.558 7.117 212 1HG2 ILE 32 1HG2 ILE 32 -0.905 -2.019 3.816 213 2HG2 ILE 32 2HG2 ILE 32 -2.533 -1.852 4.471 214 3HG2 ILE 32 3HG2 ILE 32 -1.772 -3.439 4.414 215 1HD1 ILE 32 1HD1 ILE 32 -0.343 -0.058 4.159 216 2HD1 ILE 32 2HD1 ILE 32 1.093 -0.638 4.986 217 3HD1 ILE 32 3HD1 ILE 32 0.438 0.967 5.367 218 H ASP 33 H ASP 33 -2.737 -0.441 8.083 219 HA ASP 33 HA ASP 33 -5.488 -0.674 7.065 220 1HB ASP 33 1HB ASP 33 -4.967 -0.228 9.552 221 2HB ASP 33 2HB ASP 33 -4.501 1.386 9.042 222 H SER 34 H SER 34 -6.394 0.862 5.810 223 HA SER 34 HA SER 34 -4.691 2.220 4.000 224 1HB SER 34 1HB SER 34 -6.846 3.123 3.070 225 2HB SER 34 2HB SER 34 -6.817 1.370 3.224 226 HG SER 34 HG SER 34 -7.951 1.637 5.239 227 H ARG 35 H ARG 35 -6.253 3.151 6.925 228 HA ARG 35 HA ARG 35 -6.374 5.967 6.380 229 1HB ARG 35 1HB ARG 35 -7.881 4.850 7.979 230 2HB ARG 35 2HB ARG 35 -6.525 4.558 9.051 231 1HG ARG 35 1HG ARG 35 -7.894 6.477 9.750 232 2HG ARG 35 2HG ARG 35 -6.233 6.941 9.399 233 1HD ARG 35 1HD ARG 35 -6.887 7.805 7.227 234 2HD ARG 35 2HD ARG 35 -8.538 7.243 7.479 235 HE ARG 35 HE ARG 35 -8.318 8.862 9.543 236 1HH1 ARG 35 1HH1 ARG 35 -7.171 9.395 6.269 237 2HH1 ARG 35 2HH1 ARG 35 -7.395 11.107 6.346 238 1HH2 ARG 35 1HH2 ARG 35 -8.641 11.090 9.602 239 2HH2 ARG 35 2HH2 ARG 35 -8.248 12.071 8.240 240 H GLU 36 H GLU 36 -4.039 3.775 7.823 241 HA GLU 36 HA GLU 36 -2.285 5.663 8.936 242 1HB GLU 36 1HB GLU 36 -1.542 3.075 7.534 243 2HB GLU 36 2HB GLU 36 -0.557 3.949 8.696 244 1HG GLU 36 1HG GLU 36 -3.209 2.667 9.280 245 2HG GLU 36 2HG GLU 36 -1.644 1.986 9.677 246 H LEU 37 H LEU 37 -2.465 4.390 5.663 247 HA LEU 37 HA LEU 37 -0.208 5.822 4.662 248 1HB LEU 37 1HB LEU 37 -2.509 4.588 3.128 249 2HB LEU 37 2HB LEU 37 -1.013 5.149 2.431 250 HG LEU 37 HG LEU 37 -1.153 2.927 4.477 251 1HD1 LEU 37 1HD1 LEU 37 -0.882 1.370 2.639 252 2HD1 LEU 37 2HD1 LEU 37 -0.924 2.680 1.464 253 3HD1 LEU 37 3HD1 LEU 37 -2.364 2.301 2.412 254 1HD2 LEU 37 1HD2 LEU 37 1.114 2.447 3.699 255 2HD2 LEU 37 2HD2 LEU 37 0.979 4.061 4.389 256 3HD2 LEU 37 3HD2 LEU 37 1.056 3.848 2.638 257 H PHE 38 H PHE 38 -3.686 6.406 4.597 258 HA PHE 38 HA PHE 38 -3.253 8.993 3.223 259 1HB PHE 38 1HB PHE 38 -5.794 7.354 3.579 260 2HB PHE 38 2HB PHE 38 -5.655 8.848 2.665 261 HD1 PHE 38 HD2 PHE 38 -4.499 8.892 0.481 262 HD2 PHE 38 HD1 PHE 38 -4.979 5.268 2.688 263 HE1 PHE 38 HE2 PHE 38 -3.947 7.570 -1.530 264 HE2 PHE 38 HE1 PHE 38 -4.436 3.969 0.687 265 HZ PHE 38 HZ PHE 38 -3.917 5.105 -1.420 266 H THR 39 H THR 39 -2.793 8.506 6.109 267 HA THR 39 HA THR 39 -4.899 9.480 7.698 268 HB THR 39 HB THR 39 -2.910 8.477 8.715 269 HG1 THR 39 HG1 THR 39 -3.718 9.696 10.262 270 1HG2 THR 39 1HG2 THR 39 -0.776 9.672 8.851 271 2HG2 THR 39 2HG2 THR 39 -1.417 10.967 7.829 272 3HG2 THR 39 3HG2 THR 39 -1.191 9.352 7.160 273 H VAL 40 H VAL 40 -2.437 11.195 5.840 274 HA VAL 40 HA VAL 40 -4.142 13.545 5.758 275 HB VAL 40 HB VAL 40 -2.179 15.081 6.133 276 1HG1 VAL 40 1HG1 VAL 40 -3.908 14.826 7.831 277 2HG1 VAL 40 2HG1 VAL 40 -2.333 15.045 8.574 278 3HG1 VAL 40 3HG1 VAL 40 -3.050 13.431 8.513 279 1HG2 VAL 40 1HG2 VAL 40 -0.374 13.425 5.884 280 2HG2 VAL 40 2HG2 VAL 40 -0.879 12.643 7.385 281 3HG2 VAL 40 3HG2 VAL 40 -0.262 14.300 7.403 282 H ASP 41 H ASP 41 -4.401 12.521 3.607 283 HA ASP 41 HA ASP 41 -2.937 13.542 1.534 284 1HB ASP 41 1HB ASP 41 -1.164 11.918 2.676 285 2HB ASP 41 2HB ASP 41 -2.057 10.664 1.808 286 H ARG 42 H ARG 42 -3.550 12.414 -0.545 287 HA ARG 42 HA ARG 42 -6.059 10.876 -0.146 288 1HB ARG 42 1HB ARG 42 -6.399 13.253 -0.875 289 2HB ARG 42 2HB ARG 42 -5.486 12.901 -2.336 290 1HG ARG 42 1HG ARG 42 -7.182 11.292 -3.047 291 2HG ARG 42 2HG ARG 42 -8.053 11.542 -1.523 292 1HD ARG 42 1HD ARG 42 -7.558 13.632 -3.670 293 2HD ARG 42 2HD ARG 42 -9.088 12.792 -3.361 294 HE ARG 42 HE ARG 42 -7.874 14.429 -1.237 295 1HH1 ARG 42 1HH1 ARG 42 -10.485 13.942 -3.529 296 2HH1 ARG 42 2HH1 ARG 42 -11.513 15.140 -2.789 297 1HH2 ARG 42 1HH2 ARG 42 -9.235 16.010 -0.287 298 2HH2 ARG 42 2HH2 ARG 42 -10.805 16.319 -0.973 299 H GLU 43 H GLU 43 -2.972 10.932 -1.624 300 HA GLU 43 HA GLU 43 -3.621 8.534 -3.142 301 1HB GLU 43 1HB GLU 43 -4.122 10.488 -4.640 302 2HB GLU 43 2HB GLU 43 -2.431 10.978 -4.504 303 1HG GLU 43 1HG GLU 43 -1.755 8.824 -5.515 304 2HG GLU 43 2HG GLU 43 -3.457 8.392 -5.697 305 H ILE 44 H ILE 44 -1.914 7.218 -3.446 306 HA ILE 44 HA ILE 44 0.728 8.081 -2.406 307 HB ILE 44 HB ILE 44 -0.577 5.367 -2.052 308 1HG1 ILE 44 1HG1 ILE 44 -1.554 7.091 -0.576 309 2HG1 ILE 44 2HG1 ILE 44 -0.681 5.870 0.345 310 1HG2 ILE 44 1HG2 ILE 44 2.075 6.364 -1.020 311 2HG2 ILE 44 2HG2 ILE 44 1.854 5.228 -2.346 312 3HG2 ILE 44 3HG2 ILE 44 1.375 4.777 -0.703 313 1HD1 ILE 44 1HD1 ILE 44 0.339 8.616 -0.354 314 2HD1 ILE 44 2HD1 ILE 44 1.214 7.412 0.563 315 3HD1 ILE 44 3HD1 ILE 44 -0.282 8.096 1.209 316 H VAL 45 H VAL 45 2.533 7.369 -3.634 317 HA VAL 45 HA VAL 45 1.834 6.083 -6.187 318 HB VAL 45 HB VAL 45 4.287 7.726 -5.502 319 1HG1 VAL 45 1HG1 VAL 45 4.755 7.649 -7.916 320 2HG1 VAL 45 2HG1 VAL 45 3.383 6.558 -8.147 321 3HG1 VAL 45 3HG1 VAL 45 4.774 6.039 -7.176 322 1HG2 VAL 45 1HG2 VAL 45 2.290 9.118 -5.592 323 2HG2 VAL 45 2HG2 VAL 45 1.850 8.417 -7.151 324 3HG2 VAL 45 3HG2 VAL 45 3.301 9.419 -6.999 325 H ILE 46 H ILE 46 2.064 3.958 -5.908 326 HA ILE 46 HA ILE 46 4.348 2.812 -4.545 327 HB ILE 46 HB ILE 46 2.130 1.404 -6.078 328 1HG1 ILE 46 1HG1 ILE 46 2.357 1.992 -3.101 329 2HG1 ILE 46 2HG1 ILE 46 1.213 2.750 -4.210 330 1HG2 ILE 46 1HG2 ILE 46 4.144 0.046 -5.756 331 2HG2 ILE 46 2HG2 ILE 46 2.807 -0.576 -4.790 332 3HG2 ILE 46 3HG2 ILE 46 4.107 0.346 -4.030 333 1HD1 ILE 46 1HD1 ILE 46 1.312 -0.143 -3.373 334 2HD1 ILE 46 2HD1 ILE 46 0.215 0.503 -4.604 335 3HD1 ILE 46 3HD1 ILE 46 0.097 1.064 -2.936 336 H ALA 47 H ALA 47 6.240 2.814 -5.618 337 HA ALA 47 HA ALA 47 6.307 2.532 -8.504 338 1HB ALA 47 1HB ALA 47 8.690 2.977 -8.293 339 2HB ALA 47 2HB ALA 47 8.572 2.937 -6.537 340 3HB ALA 47 3HB ALA 47 7.742 4.206 -7.450 341 H HIS 48 H HIS 48 7.190 0.764 -9.585 342 HA HIS 48 HA HIS 48 8.244 -1.470 -8.058 343 1HB HIS 48 1HB HIS 48 5.844 -1.918 -8.057 344 2HB HIS 48 2HB HIS 48 5.785 -1.710 -9.808 345 HD1 HIS 48 HD1 HIS 48 7.203 -4.046 -7.195 346 HD2 HIS 48 HD2 HIS 48 6.357 -3.973 -11.270 347 HE1 HIS 48 HE1 HIS 48 7.566 -6.394 -8.001 348 HE2 HIS 48 HE2 HIS 48 7.239 -6.283 -10.504 349 H GLY 49 H GLY 49 10.224 -1.422 -9.134 350 1HA GLY 49 1HA GLY 49 11.514 -2.503 -10.755 351 2HA GLY 49 2HA GLY 49 10.127 -2.528 -11.823 352 H ASP 50 H ASP 50 9.352 -0.352 -12.508 353 HA ASP 50 HA ASP 50 11.169 1.861 -12.437 354 1HB ASP 50 1HB ASP 50 12.153 0.482 -14.246 355 2HB ASP 50 2HB ASP 50 10.633 0.578 -15.121 356 H ASP 51 H ASP 51 8.186 0.362 -13.104 357 HA ASP 51 HA ASP 51 6.897 2.703 -14.219 358 1HB ASP 51 1HB ASP 51 6.261 0.384 -14.930 359 2HB ASP 51 2HB ASP 51 5.630 0.082 -13.314 360 H ARG 52 H ARG 52 4.879 3.515 -13.180 361 HA ARG 52 HA ARG 52 5.247 3.714 -10.266 362 1HB ARG 52 1HB ARG 52 4.354 5.990 -12.038 363 2HB ARG 52 2HB ARG 52 4.737 6.067 -10.333 364 1HG ARG 52 1HG ARG 52 6.725 5.491 -12.522 365 2HG ARG 52 2HG ARG 52 6.477 7.058 -11.755 366 1HD ARG 52 1HD ARG 52 7.122 6.086 -9.584 367 2HD ARG 52 2HD ARG 52 7.390 4.519 -10.386 368 HE ARG 52 HE ARG 52 8.936 6.320 -11.773 369 1HH1 ARG 52 1HH1 ARG 52 8.763 5.338 -8.378 370 2HH1 ARG 52 2HH1 ARG 52 10.456 5.580 -8.099 371 1HH2 ARG 52 1HH2 ARG 52 11.125 6.720 -11.361 372 2HH2 ARG 52 2HH2 ARG 52 11.792 6.370 -9.799 373 H TYR 53 H TYR 53 3.528 3.063 -9.194 374 HA TYR 53 HA TYR 53 0.896 3.051 -10.541 375 1HB TYR 53 1HB TYR 53 1.999 1.408 -8.235 376 2HB TYR 53 2HB TYR 53 0.285 1.440 -8.694 377 HD1 TYR 53 HD2 TYR 53 3.684 0.744 -10.071 378 HD2 TYR 53 HD1 TYR 53 -0.491 -0.060 -10.334 379 HE1 TYR 53 HE2 TYR 53 4.134 -0.989 -11.741 380 HE2 TYR 53 HE1 TYR 53 -0.046 -1.793 -12.010 381 HH TYR 53 HH TYR 53 3.155 -2.905 -12.752 382 H ARG 54 H ARG 54 -0.961 3.633 -9.213 383 HA ARG 54 HA ARG 54 -0.297 5.557 -7.083 384 1HB ARG 54 1HB ARG 54 -2.325 5.945 -9.312 385 2HB ARG 54 2HB ARG 54 -2.094 7.038 -7.946 386 1HG ARG 54 1HG ARG 54 0.229 7.456 -8.749 387 2HG ARG 54 2HG ARG 54 -0.123 6.439 -10.151 388 1HD ARG 54 1HD ARG 54 -1.976 7.909 -10.758 389 2HD ARG 54 2HD ARG 54 -1.609 8.951 -9.390 390 HE ARG 54 HE ARG 54 0.130 8.562 -11.765 391 1HH1 ARG 54 1HH1 ARG 54 -0.907 10.477 -8.998 392 2HH1 ARG 54 2HH1 ARG 54 -0.004 11.887 -9.487 393 1HH2 ARG 54 1HH2 ARG 54 1.311 10.438 -12.385 394 2HH2 ARG 54 2HH2 ARG 54 1.235 11.867 -11.409 395 H LEU 55 H LEU 55 -1.091 4.650 -5.298 396 HA LEU 55 HA LEU 55 -3.680 3.297 -5.303 397 1HB LEU 55 1HB LEU 55 -1.757 2.333 -4.017 398 2HB LEU 55 2HB LEU 55 -1.726 3.814 -3.051 399 HG LEU 55 HG LEU 55 -3.993 3.300 -2.227 400 1HD1 LEU 55 1HD1 LEU 55 -4.842 1.991 -4.083 401 2HD1 LEU 55 2HD1 LEU 55 -4.938 1.034 -2.601 402 3HD1 LEU 55 3HD1 LEU 55 -3.655 0.737 -3.772 403 1HD2 LEU 55 1HD2 LEU 55 -3.357 1.483 -0.738 404 2HD2 LEU 55 2HD2 LEU 55 -2.011 2.613 -0.956 405 3HD2 LEU 55 3HD2 LEU 55 -2.016 1.060 -1.802 406 H ARG 56 H ARG 56 -5.425 4.564 -5.117 407 HA ARG 56 HA ARG 56 -5.121 7.183 -3.757 408 1HB ARG 56 1HB ARG 56 -5.173 7.413 -6.187 409 2HB ARG 56 2HB ARG 56 -6.731 6.592 -6.270 410 1HG ARG 56 1HG ARG 56 -7.750 8.406 -4.992 411 2HG ARG 56 2HG ARG 56 -6.188 9.210 -4.840 412 1HD ARG 56 1HD ARG 56 -6.062 9.471 -7.260 413 2HD ARG 56 2HD ARG 56 -7.587 8.613 -7.437 414 HE ARG 56 HE ARG 56 -8.694 10.472 -6.402 415 1HH1 ARG 56 1HH1 ARG 56 -5.355 11.024 -7.263 416 2HH1 ARG 56 2HH1 ARG 56 -5.527 12.750 -7.357 417 1HH2 ARG 56 1HH2 ARG 56 -8.937 12.745 -6.516 418 2HH2 ARG 56 2HH2 ARG 56 -7.563 13.737 -6.904 419 H LEU 57 H LEU 57 -6.798 7.865 -2.499 420 HA LEU 57 HA LEU 57 -8.866 5.847 -1.931 421 1HB LEU 57 1HB LEU 57 -7.030 6.695 -0.174 422 2HB LEU 57 2HB LEU 57 -8.185 7.998 0.033 423 HG LEU 57 HG LEU 57 -8.826 5.057 0.415 424 1HD1 LEU 57 1HD1 LEU 57 -7.244 5.766 2.099 425 2HD1 LEU 57 2HD1 LEU 57 -8.833 5.554 2.821 426 3HD1 LEU 57 3HD1 LEU 57 -8.224 7.180 2.490 427 1HD2 LEU 57 1HD2 LEU 57 -10.803 6.352 -0.157 428 2HD2 LEU 57 2HD2 LEU 57 -10.432 7.527 1.104 429 3HD2 LEU 57 3HD2 LEU 57 -10.862 5.867 1.536 430 H THR 58 H THR 58 -10.937 6.459 -2.070 431 HA THR 58 HA THR 58 -11.603 8.995 -3.284 432 HB THR 58 HB THR 58 -13.920 8.124 -3.294 433 HG1 THR 58 HG1 THR 58 -12.766 6.338 -1.491 434 1HG2 THR 58 1HG2 THR 58 -13.550 6.107 -4.685 435 2HG2 THR 58 2HG2 THR 58 -11.871 6.076 -4.172 436 3HG2 THR 58 3HG2 THR 58 -12.472 7.412 -5.136 437 H SER 59 H SER 59 -13.839 9.956 -2.218 438 HA SER 59 HA SER 59 -13.121 10.990 0.329 439 1HB SER 59 1HB SER 59 -15.818 11.046 -1.065 440 2HB SER 59 2HB SER 59 -15.339 12.054 0.301 441 HG SER 59 HG SER 59 -14.995 12.543 -2.260 442 H GLN 60 H GLN 60 -12.712 8.933 1.400 443 HA GLN 60 HA GLN 60 -13.169 7.568 3.155 444 1HB GLN 60 1HB GLN 60 -15.870 8.917 3.034 445 2HB GLN 60 2HB GLN 60 -15.431 7.744 4.272 446 1HG GLN 60 1HG GLN 60 -13.549 9.214 4.943 447 2HG GLN 60 2HG GLN 60 -14.071 10.388 3.754 448 1HE2 GLN 60 2HE2 GLN 60 -15.956 11.615 4.140 449 2HE2 GLN 60 1HE2 GLN 60 -16.703 11.663 5.697 450 H ASN 61 H ASN 61 -15.169 7.387 0.335 451 HA ASN 61 HA ASN 61 -16.792 5.214 0.941 452 1HB ASN 61 1HB ASN 61 -17.016 6.708 -1.054 453 2HB ASN 61 2HB ASN 61 -15.681 5.857 -1.810 454 1HD2 ASN 61 2HD2 ASN 61 -18.999 5.623 -0.739 455 2HD2 ASN 61 1HD2 ASN 61 -19.366 4.198 -1.650 456 H LYS 62 H LYS 62 -13.941 5.018 -1.207 457 HA LYS 62 HA LYS 62 -12.888 2.735 0.195 458 1HB LYS 62 1HB LYS 62 -12.952 1.305 -1.944 459 2HB LYS 62 2HB LYS 62 -14.417 1.436 -0.989 460 1HG LYS 62 1HG LYS 62 -15.019 1.540 -3.291 461 2HG LYS 62 2HG LYS 62 -15.257 3.135 -2.583 462 1HD LYS 62 1HD LYS 62 -13.229 3.945 -3.590 463 2HD LYS 62 2HD LYS 62 -12.831 2.334 -4.197 464 1HE LYS 62 1HE LYS 62 -13.823 3.895 -5.899 465 2HE LYS 62 2HE LYS 62 -14.704 2.377 -5.711 466 1HZ LYS 62 1HZ LYS 62 -16.199 4.321 -5.830 467 2HZ LYS 62 2HZ LYS 62 -15.481 4.946 -4.431 468 3HZ LYS 62 3HZ LYS 62 -16.339 3.493 -4.360 469 H LEU 63 H LEU 63 -11.232 1.715 -1.829 470 HA LEU 63 HA LEU 63 -9.705 4.050 -2.770 471 1HB LEU 63 1HB LEU 63 -7.584 3.066 -2.017 472 2HB LEU 63 2HB LEU 63 -8.651 3.412 -0.662 473 HG LEU 63 HG LEU 63 -8.419 0.633 -1.838 474 1HD1 LEU 63 1HD1 LEU 63 -6.163 1.363 -1.171 475 2HD1 LEU 63 2HD1 LEU 63 -6.781 0.138 -0.065 476 3HD1 LEU 63 3HD1 LEU 63 -6.776 1.831 0.409 477 1HD2 LEU 63 1HD2 LEU 63 -9.264 1.654 0.878 478 2HD2 LEU 63 2HD2 LEU 63 -9.241 -0.035 0.373 479 3HD2 LEU 63 3HD2 LEU 63 -10.340 1.107 -0.398 480 H ILE 64 H ILE 64 -8.025 3.377 -4.394 481 HA ILE 64 HA ILE 64 -8.650 0.941 -5.860 482 HB ILE 64 HB ILE 64 -8.865 2.298 -8.013 483 1HG1 ILE 64 1HG1 ILE 64 -9.975 4.598 -7.598 484 2HG1 ILE 64 2HG1 ILE 64 -9.225 4.542 -6.013 485 1HG2 ILE 64 1HG2 ILE 64 -11.111 2.510 -6.011 486 2HG2 ILE 64 2HG2 ILE 64 -10.753 1.114 -7.024 487 3HG2 ILE 64 3HG2 ILE 64 -11.278 2.627 -7.757 488 1HD1 ILE 64 1HD1 ILE 64 -7.906 5.816 -7.589 489 2HD1 ILE 64 2HD1 ILE 64 -7.790 4.420 -8.655 490 3HD1 ILE 64 3HD1 ILE 64 -7.036 4.382 -7.071 491 H LEU 65 H LEU 65 -7.225 0.753 -7.815 492 HA LEU 65 HA LEU 65 -4.596 2.029 -7.352 493 1HB LEU 65 1HB LEU 65 -4.531 -0.306 -6.603 494 2HB LEU 65 2HB LEU 65 -5.155 -0.833 -8.168 495 HG LEU 65 HG LEU 65 -3.065 0.042 -9.236 496 1HD1 LEU 65 1HD1 LEU 65 -2.104 0.407 -6.409 497 2HD1 LEU 65 2HD1 LEU 65 -2.446 1.689 -7.572 498 3HD1 LEU 65 3HD1 LEU 65 -1.129 0.559 -7.871 499 1HD2 LEU 65 1HD2 LEU 65 -3.300 -2.316 -8.701 500 2HD2 LEU 65 2HD2 LEU 65 -2.641 -2.041 -7.088 501 3HD2 LEU 65 3HD2 LEU 65 -1.620 -1.798 -8.515 502 H THR 66 H THR 66 -4.241 3.358 -8.991 503 HA THR 66 HA THR 66 -4.671 2.406 -11.726 504 HB THR 66 HB THR 66 -6.641 3.812 -11.200 505 HG1 THR 66 HG1 THR 66 -6.301 4.317 -13.239 506 1HG2 THR 66 1HG2 THR 66 -6.365 6.208 -10.677 507 2HG2 THR 66 2HG2 THR 66 -4.621 5.979 -10.534 508 3HG2 THR 66 3HG2 THR 66 -5.710 5.171 -9.404 509 H LYS 67 H LYS 67 -3.616 4.149 -13.256 510 HA LYS 67 HA LYS 67 -1.525 5.748 -12.242 511 1HB LYS 67 1HB LYS 67 0.448 4.543 -13.000 512 2HB LYS 67 2HB LYS 67 -0.411 3.627 -11.785 513 1HG LYS 67 1HG LYS 67 -0.575 3.099 -14.744 514 2HG LYS 67 2HG LYS 67 0.503 2.268 -13.632 515 1HD LYS 67 1HD LYS 67 -1.485 1.489 -12.362 516 2HD LYS 67 2HD LYS 67 -2.515 2.226 -13.591 517 1HE LYS 67 1HE LYS 67 -0.526 0.016 -14.013 518 2HE LYS 67 2HE LYS 67 -2.282 -0.156 -14.020 519 1HZ LYS 67 1HZ LYS 67 -2.341 1.349 -15.962 520 2HZ LYS 67 2HZ LYS 67 -1.454 -0.064 -16.253 521 3HZ LYS 67 3HZ LYS 67 -0.642 1.380 -15.963 522 1H MET 1 1H MET 1 -16.695 -37.255 51.290 523 2H MET 1 2H MET 1 -15.650 -38.408 51.933 524 3H MET 1 3H MET 1 -16.119 -38.513 50.314 525 HA MET 1 HA MET 1 -15.012 -36.453 49.818 526 1HB MET 1 1HB MET 1 -14.095 -36.657 52.706 527 2HB MET 1 2HB MET 1 -13.415 -35.534 51.529 528 1HG MET 1 1HG MET 1 -15.591 -34.445 51.333 529 2HG MET 1 2HG MET 1 -16.276 -35.574 52.483 530 1HE MET 1 1HE MET 1 -13.758 -32.618 51.939 531 2HE MET 1 2HE MET 1 -12.718 -33.904 52.539 532 3HE MET 1 3HE MET 1 -13.014 -32.469 53.535 533 H MET 2 H MET 2 -13.890 -37.613 48.370 534 HA MET 2 HA MET 2 -11.349 -38.757 49.245 535 1HB MET 2 1HB MET 2 -13.435 -40.311 47.693 536 2HB MET 2 2HB MET 2 -11.731 -40.727 47.637 537 1HG MET 2 1HG MET 2 -11.754 -41.105 50.068 538 2HG MET 2 2HG MET 2 -13.458 -40.694 50.107 539 1HE MET 2 1HE MET 2 -13.984 -43.028 51.343 540 2HE MET 2 2HE MET 2 -12.232 -43.252 51.346 541 3HE MET 2 3HE MET 2 -13.290 -44.555 50.783 542 H THR 3 H THR 3 -10.139 -37.285 48.230 543 HA THR 3 HA THR 3 -10.064 -37.438 45.328 544 HB THR 3 HB THR 3 -11.578 -35.565 45.598 545 HG1 THR 3 HG1 THR 3 -9.376 -34.020 45.015 546 1HG2 THR 3 1HG2 THR 3 -9.461 -34.305 47.360 547 2HG2 THR 3 2HG2 THR 3 -11.046 -34.878 47.885 548 3HG2 THR 3 3HG2 THR 3 -10.913 -33.502 46.781 549 H ALA 4 H ALA 4 -8.100 -38.401 45.445 550 HA ALA 4 HA ALA 4 -5.962 -37.124 47.005 551 1HB ALA 4 1HB ALA 4 -6.401 -39.518 47.391 552 2HB ALA 4 2HB ALA 4 -4.774 -39.249 46.763 553 3HB ALA 4 3HB ALA 4 -6.045 -39.852 45.690 554 H SER 5 H SER 5 -7.137 -36.550 44.131 555 HA SER 5 HA SER 5 -4.596 -36.591 42.675 556 1HB SER 5 1HB SER 5 -6.099 -35.893 40.712 557 2HB SER 5 2HB SER 5 -6.353 -37.511 41.374 558 HG SER 5 HG SER 5 -8.276 -36.943 42.002 559 H ASP 6 H ASP 6 -3.369 -34.860 43.025 560 HA ASP 6 HA ASP 6 -4.489 -32.306 43.728 561 1HB ASP 6 1HB ASP 6 -2.432 -32.976 44.818 562 2HB ASP 6 2HB ASP 6 -1.635 -33.228 43.282 563 H ARG 7 H ARG 7 -5.525 -31.327 42.075 564 HA ARG 7 HA ARG 7 -3.965 -30.222 39.945 565 1HB ARG 7 1HB ARG 7 -4.831 -31.276 38.053 566 2HB ARG 7 2HB ARG 7 -4.574 -32.613 39.150 567 1HG ARG 7 1HG ARG 7 -7.228 -31.272 38.622 568 2HG ARG 7 2HG ARG 7 -6.680 -32.798 37.900 569 1HD ARG 7 1HD ARG 7 -6.607 -33.821 40.113 570 2HD ARG 7 2HD ARG 7 -7.099 -32.312 40.864 571 HE ARG 7 HE ARG 7 -8.962 -33.221 38.877 572 1HH1 ARG 7 1HH1 ARG 7 -7.989 -33.605 42.232 573 2HH1 ARG 7 2HH1 ARG 7 -9.567 -34.098 42.752 574 1HH2 ARG 7 1HH2 ARG 7 -11.008 -33.866 39.557 575 2HH2 ARG 7 2HH2 ARG 7 -11.275 -34.241 41.233 576 H LEU 8 H LEU 8 -5.015 -28.530 38.899 577 HA LEU 8 HA LEU 8 -7.787 -27.998 39.057 578 1HB LEU 8 1HB LEU 8 -6.889 -27.526 41.467 579 2HB LEU 8 2HB LEU 8 -6.187 -26.094 40.755 580 HG LEU 8 HG LEU 8 -9.145 -26.719 40.744 581 1HD1 LEU 8 1HD1 LEU 8 -9.345 -25.040 42.496 582 2HD1 LEU 8 2HD1 LEU 8 -7.597 -24.811 42.491 583 3HD1 LEU 8 3HD1 LEU 8 -8.277 -26.353 43.022 584 1HD2 LEU 8 1HD2 LEU 8 -8.530 -25.264 38.906 585 2HD2 LEU 8 2HD2 LEU 8 -7.631 -24.215 39.997 586 3HD2 LEU 8 3HD2 LEU 8 -9.381 -24.333 40.140 587 H GLY 9 H GLY 9 -7.754 -27.365 36.955 588 1HA GLY 9 1HA GLY 9 -7.388 -24.941 35.968 589 2HA GLY 9 2HA GLY 9 -5.713 -25.483 36.021 590 H ALA 10 H ALA 10 -5.777 -25.124 33.715 591 HA ALA 10 HA ALA 10 -6.028 -27.527 32.268 592 1HB ALA 10 1HB ALA 10 -8.430 -26.985 32.308 593 2HB ALA 10 2HB ALA 10 -7.796 -26.853 30.664 594 3HB ALA 10 3HB ALA 10 -8.109 -25.405 31.630 595 H ASP 11 H ASP 11 -4.839 -27.397 30.390 596 HA ASP 11 HA ASP 11 -3.742 -24.756 29.663 597 1HB ASP 11 1HB ASP 11 -2.240 -27.267 30.334 598 2HB ASP 11 2HB ASP 11 -1.538 -26.053 29.276 599 HA PRO 12 HA PRO 12 -4.463 -26.561 25.564 600 1HB PRO 12 1HB PRO 12 -6.407 -24.962 24.695 601 2HB PRO 12 2HB PRO 12 -6.794 -26.299 25.796 602 1HG PRO 12 1HG PRO 12 -6.622 -23.378 26.343 603 2HG PRO 12 2HG PRO 12 -7.664 -24.596 27.084 604 1HD PRO 12 1HD PRO 12 -5.208 -23.571 28.100 605 2HD PRO 12 2HD PRO 12 -6.171 -24.911 28.776 606 H THR 13 H THR 13 -3.181 -23.959 26.996 607 HA THR 13 HA THR 13 -3.189 -21.854 25.163 608 HB THR 13 HB THR 13 -1.063 -22.491 27.223 609 HG1 THR 13 HG1 THR 13 -2.395 -21.579 28.695 610 1HG2 THR 13 1HG2 THR 13 -0.387 -20.692 25.713 611 2HG2 THR 13 2HG2 THR 13 -0.788 -20.044 27.305 612 3HG2 THR 13 3HG2 THR 13 -1.933 -19.862 25.981 613 H GLN 14 H GLN 14 -2.033 -21.388 23.399 614 HA GLN 14 HA GLN 14 0.638 -22.278 22.989 615 1HB GLN 14 1HB GLN 14 0.109 -23.389 20.731 616 2HB GLN 14 2HB GLN 14 -0.175 -24.310 22.188 617 1HG GLN 14 1HG GLN 14 -1.965 -24.657 20.585 618 2HG GLN 14 2HG GLN 14 -2.571 -23.850 22.034 619 1HE2 GLN 14 2HE2 GLN 14 -1.717 -23.415 18.659 620 2HE2 GLN 14 1HE2 GLN 14 -2.665 -21.985 18.416 621 H ALA 15 H ALA 15 1.297 -21.580 20.582 622 HA ALA 15 HA ALA 15 0.533 -18.815 20.350 623 1HB ALA 15 1HB ALA 15 2.139 -18.731 18.507 624 2HB ALA 15 2HB ALA 15 2.312 -20.488 18.574 625 3HB ALA 15 3HB ALA 15 2.838 -19.484 19.934 626 H ALA 16 H ALA 16 -1.473 -18.391 19.585 627 HA ALA 16 HA ALA 16 -2.622 -20.050 17.465 628 1HB ALA 16 1HB ALA 16 -4.016 -19.427 19.395 629 2HB ALA 16 2HB ALA 16 -4.674 -18.793 17.881 630 3HB ALA 16 3HB ALA 16 -3.819 -17.719 18.990 631 H SER 17 H SER 17 -0.788 -17.217 17.736 632 HA SER 17 HA SER 17 -1.612 -16.325 15.045 633 1HB SER 17 1HB SER 17 -2.395 -14.792 16.934 634 2HB SER 17 2HB SER 17 -0.691 -14.477 17.283 635 HG SER 17 HG SER 17 -2.202 -13.215 15.584 636 H SER 18 H SER 18 0.043 -16.991 13.798 637 HA SER 18 HA SER 18 2.720 -15.949 14.384 638 1HB SER 18 1HB SER 18 2.263 -18.840 13.589 639 2HB SER 18 2HB SER 18 3.807 -18.064 13.923 640 HG SER 18 HG SER 18 2.665 -17.592 16.068 641 HA PRO 19 HA PRO 19 1.777 -15.326 9.962 642 1HB PRO 19 1HB PRO 19 2.248 -12.700 9.842 643 2HB PRO 19 2HB PRO 19 0.762 -13.332 10.555 644 1HG PRO 19 1HG PRO 19 3.220 -12.289 11.922 645 2HG PRO 19 2HG PRO 19 1.513 -12.055 12.336 646 1HD PRO 19 1HD PRO 19 3.204 -13.947 13.517 647 2HD PRO 19 2HD PRO 19 1.432 -13.970 13.557 648 H GLY 20 H GLY 20 3.272 -13.817 8.411 649 1HA GLY 20 1HA GLY 20 5.777 -15.127 8.263 650 2HA GLY 20 2HA GLY 20 5.298 -13.714 7.337 651 H GLY 21 H GLY 21 4.937 -11.838 9.292 652 1HA GLY 21 1HA GLY 21 6.554 -11.499 11.394 653 2HA GLY 21 2HA GLY 21 7.658 -11.235 10.045 654 H ALA 22 H ALA 22 7.204 -9.179 11.797 655 HA ALA 22 HA ALA 22 5.213 -7.444 10.500 656 1HB ALA 22 1HB ALA 22 4.904 -7.734 12.891 657 2HB ALA 22 2HB ALA 22 5.344 -6.058 12.531 658 3HB ALA 22 3HB ALA 22 6.553 -7.170 13.199 659 H ARG 23 H ARG 23 5.961 -5.904 9.198 660 HA ARG 23 HA ARG 23 8.801 -5.150 9.388 661 1HB ARG 23 1HB ARG 23 8.969 -5.163 6.956 662 2HB ARG 23 2HB ARG 23 8.363 -6.724 7.499 663 1HG ARG 23 1HG ARG 23 6.037 -5.786 7.010 664 2HG ARG 23 2HG ARG 23 6.872 -4.521 6.127 665 1HD ARG 23 1HD ARG 23 6.292 -6.157 4.517 666 2HD ARG 23 2HD ARG 23 8.016 -6.366 4.820 667 HE ARG 23 HE ARG 23 7.344 -8.220 6.360 668 1HH1 ARG 23 1HH1 ARG 23 5.325 -7.320 3.643 669 2HH1 ARG 23 2HH1 ARG 23 4.473 -8.836 3.598 670 1HH2 ARG 23 1HH2 ARG 23 6.232 -10.247 6.278 671 2HH2 ARG 23 2HH2 ARG 23 4.987 -10.514 5.085 672 H ALA 24 H ALA 24 9.262 -2.999 9.107 673 HA ALA 24 HA ALA 24 6.931 -1.211 9.055 674 1HB ALA 24 1HB ALA 24 8.363 -1.074 11.039 675 2HB ALA 24 2HB ALA 24 8.381 0.430 10.132 676 3HB ALA 24 3HB ALA 24 9.743 -0.674 10.028 677 H VAL 25 H VAL 25 6.614 0.060 7.315 678 HA VAL 25 HA VAL 25 8.851 0.507 5.453 679 HB VAL 25 HB VAL 25 7.124 0.612 3.621 680 1HG1 VAL 25 1HG1 VAL 25 7.202 -2.002 5.169 681 2HG1 VAL 25 2HG1 VAL 25 8.406 -1.453 3.999 682 3HG1 VAL 25 3HG1 VAL 25 6.771 -1.811 3.462 683 1HG2 VAL 25 1HG2 VAL 25 4.883 -0.404 4.126 684 2HG2 VAL 25 2HG2 VAL 25 5.138 1.142 4.943 685 3HG2 VAL 25 3HG2 VAL 25 5.290 -0.365 5.859 686 H SER 26 H SER 26 9.082 2.549 4.582 687 HA SER 26 HA SER 26 7.584 4.628 5.995 688 1HB SER 26 1HB SER 26 9.529 6.087 5.177 689 2HB SER 26 2HB SER 26 9.878 4.885 6.418 690 HG SER 26 HG SER 26 10.612 4.946 3.707 691 H ILE 27 H ILE 27 7.024 6.548 4.959 692 HA ILE 27 HA ILE 27 6.530 6.354 2.037 693 HB ILE 27 HB ILE 27 4.657 7.288 4.221 694 1HG1 ILE 27 1HG1 ILE 27 2.976 6.063 2.802 695 2HG1 ILE 27 2HG1 ILE 27 4.291 5.574 1.743 696 1HG2 ILE 27 1HG2 ILE 27 4.791 9.213 2.785 697 2HG2 ILE 27 2HG2 ILE 27 3.261 8.394 2.505 698 3HG2 ILE 27 3HG2 ILE 27 4.591 8.213 1.363 699 1HD1 ILE 27 1HD1 ILE 27 5.316 4.342 3.567 700 2HD1 ILE 27 2HD1 ILE 27 3.652 3.809 3.293 701 3HD1 ILE 27 3HD1 ILE 27 4.024 4.856 4.655 702 H VAL 28 H VAL 28 7.367 7.994 0.917 703 HA VAL 28 HA VAL 28 8.433 10.312 2.427 704 HB VAL 28 HB VAL 28 9.940 10.642 0.398 705 1HG1 VAL 28 1HG1 VAL 28 10.246 8.081 2.024 706 2HG1 VAL 28 2HG1 VAL 28 10.791 9.701 2.477 707 3HG1 VAL 28 3HG1 VAL 28 11.541 8.876 1.111 708 1HG2 VAL 28 1HG2 VAL 28 8.679 9.275 -1.196 709 2HG2 VAL 28 2HG2 VAL 28 9.035 7.830 -0.253 710 3HG2 VAL 28 3HG2 VAL 28 10.336 8.699 -1.055 711 H GLY 29 H GLY 29 6.836 11.787 2.357 712 1HA GLY 29 1HA GLY 29 5.554 13.490 1.474 713 2HA GLY 29 2HA GLY 29 6.072 12.994 -0.140 714 H ASN 30 H ASN 30 5.172 10.941 -0.945 715 HA ASN 30 HA ASN 30 2.947 9.743 0.367 716 1HB ASN 30 1HB ASN 30 1.238 10.187 -1.341 717 2HB ASN 30 2HB ASN 30 1.807 11.693 -0.631 718 1HD2 ASN 30 2HD2 ASN 30 0.452 11.167 -3.146 719 2HD2 ASN 30 1HD2 ASN 30 1.479 11.817 -4.381 720 H GLN 31 H GLN 31 5.606 9.212 -0.912 721 HA GLN 31 HA GLN 31 4.866 7.373 -3.087 722 1HB GLN 31 1HB GLN 31 6.533 9.373 -3.344 723 2HB GLN 31 2HB GLN 31 7.668 8.343 -2.512 724 1HG GLN 31 1HG GLN 31 6.295 7.336 -4.949 725 2HG GLN 31 2HG GLN 31 7.644 8.456 -5.098 726 1HE2 GLN 31 2HE2 GLN 31 6.709 5.226 -4.607 727 2HE2 GLN 31 1HE2 GLN 31 8.289 4.569 -4.366 728 H ILE 32 H ILE 32 5.843 5.316 -3.121 729 HA ILE 32 HA ILE 32 7.327 4.274 -0.901 730 HB ILE 32 HB ILE 32 5.023 4.315 0.073 731 1HG1 ILE 32 1HG1 ILE 32 6.120 1.541 -0.473 732 2HG1 ILE 32 2HG1 ILE 32 6.655 2.621 0.802 733 1HG2 ILE 32 1HG2 ILE 32 4.359 2.390 -2.173 734 2HG2 ILE 32 2HG2 ILE 32 3.726 4.031 -1.980 735 3HG2 ILE 32 3HG2 ILE 32 3.305 2.781 -0.811 736 1HD1 ILE 32 1HD1 ILE 32 5.194 0.875 1.645 737 2HD1 ILE 32 2HD1 ILE 32 3.907 1.421 0.571 738 3HD1 ILE 32 3HD1 ILE 32 4.482 2.472 1.875 739 H ASP 33 H ASP 33 8.105 2.112 -1.367 740 HA ASP 33 HA ASP 33 7.800 1.377 -4.221 741 1HB ASP 33 1HB ASP 33 10.117 1.826 -3.153 742 2HB ASP 33 2HB ASP 33 9.914 0.256 -2.374 743 H SER 34 H SER 34 7.222 -0.629 -4.846 744 HA SER 34 HA SER 34 5.425 -1.989 -3.125 745 1HB SER 34 1HB SER 34 5.076 -1.864 -5.550 746 2HB SER 34 2HB SER 34 6.516 -2.841 -5.812 747 HG SER 34 HG SER 34 4.829 -4.065 -4.098 748 H ARG 35 H ARG 35 8.763 -2.371 -3.836 749 HA ARG 35 HA ARG 35 8.913 -5.155 -3.188 750 1HB ARG 35 1HB ARG 35 10.532 -3.942 -4.688 751 2HB ARG 35 2HB ARG 35 11.216 -3.194 -3.251 752 1HG ARG 35 1HG ARG 35 12.527 -5.102 -3.982 753 2HG ARG 35 2HG ARG 35 11.841 -5.362 -2.371 754 1HD ARG 35 1HD ARG 35 10.080 -6.743 -3.318 755 2HD ARG 35 2HD ARG 35 10.690 -6.446 -4.944 756 HE ARG 35 HE ARG 35 12.829 -7.551 -3.778 757 1HH1 ARG 35 1HH1 ARG 35 9.478 -8.522 -3.710 758 2HH1 ARG 35 2HH1 ARG 35 9.836 -10.211 -3.693 759 1HH2 ARG 35 1HH2 ARG 35 13.304 -9.770 -3.777 760 2HH2 ARG 35 2HH2 ARG 35 12.016 -10.932 -3.737 761 H GLU 36 H GLU 36 9.211 -2.179 -1.391 762 HA GLU 36 HA GLU 36 10.300 -3.150 0.980 763 1HB GLU 36 1HB GLU 36 8.238 -0.949 0.567 764 2HB GLU 36 2HB GLU 36 9.114 -1.228 2.064 765 1HG GLU 36 1HG GLU 36 10.321 -0.453 -0.589 766 2HG GLU 36 2HG GLU 36 10.078 0.609 0.793 767 H LEU 37 H LEU 37 6.926 -2.969 -0.103 768 HA LEU 37 HA LEU 37 5.806 -4.050 2.289 769 1HB LEU 37 1HB LEU 37 4.621 -3.988 -0.509 770 2HB LEU 37 2HB LEU 37 3.745 -4.288 0.982 771 HG LEU 37 HG LEU 37 5.098 -1.689 0.291 772 1HD1 LEU 37 1HD1 LEU 37 2.169 -2.406 0.319 773 2HD1 LEU 37 2HD1 LEU 37 3.154 -2.128 -1.123 774 3HD1 LEU 37 3HD1 LEU 37 2.850 -0.809 0.005 775 1HD2 LEU 37 1HD2 LEU 37 3.255 -2.380 2.582 776 2HD2 LEU 37 2HD2 LEU 37 4.000 -0.808 2.262 777 3HD2 LEU 37 3HD2 LEU 37 5.006 -2.178 2.707 778 H PHE 38 H PHE 38 6.699 -5.445 -0.854 779 HA PHE 38 HA PHE 38 5.952 -8.120 0.112 780 1HB PHE 38 1HB PHE 38 6.489 -7.151 -2.713 781 2HB PHE 38 2HB PHE 38 5.945 -8.750 -2.260 782 HD1 PHE 38 HD2 PHE 38 3.625 -9.146 -1.587 783 HD2 PHE 38 HD1 PHE 38 4.979 -5.249 -2.683 784 HE1 PHE 38 HE2 PHE 38 1.278 -8.381 -1.787 785 HE2 PHE 38 HE1 PHE 38 2.652 -4.494 -2.856 786 HZ PHE 38 HZ PHE 38 0.812 -6.044 -2.412 787 H THR 39 H THR 39 8.448 -6.753 0.877 788 HA THR 39 HA THR 39 10.675 -7.664 -0.536 789 HB THR 39 HB THR 39 10.827 -5.982 1.220 790 HG1 THR 39 HG1 THR 39 12.465 -8.276 1.287 791 1HG2 THR 39 1HG2 THR 39 9.248 -6.979 2.830 792 2HG2 THR 39 2HG2 THR 39 10.790 -6.577 3.606 793 3HG2 THR 39 3HG2 THR 39 10.400 -8.252 3.164 794 H VAL 40 H VAL 40 8.704 -9.248 1.920 795 HA VAL 40 HA VAL 40 9.646 -11.837 1.034 796 HB VAL 40 HB VAL 40 11.195 -11.395 2.873 797 1HG1 VAL 40 1HG1 VAL 40 8.748 -11.017 4.631 798 2HG1 VAL 40 2HG1 VAL 40 9.858 -9.752 4.107 799 3HG1 VAL 40 3HG1 VAL 40 10.429 -11.035 5.175 800 1HG2 VAL 40 1HG2 VAL 40 9.081 -13.418 3.674 801 2HG2 VAL 40 2HG2 VAL 40 10.748 -13.371 4.246 802 3HG2 VAL 40 3HG2 VAL 40 10.407 -13.691 2.550 803 H ASP 41 H ASP 41 7.430 -11.565 0.136 804 HA ASP 41 HA ASP 41 5.380 -12.785 1.483 805 1HB ASP 41 1HB ASP 41 5.659 -10.471 2.794 806 2HB ASP 41 2HB ASP 41 4.673 -9.863 1.474 807 H ARG 42 H ARG 42 3.289 -12.495 0.228 808 HA ARG 42 HA ARG 42 3.908 -11.556 -2.517 809 1HB ARG 42 1HB ARG 42 3.829 -14.061 -2.209 810 2HB ARG 42 2HB ARG 42 2.116 -13.893 -1.824 811 1HG ARG 42 1HG ARG 42 1.788 -12.821 -4.058 812 2HG ARG 42 2HG ARG 42 3.463 -13.238 -4.435 813 1HD ARG 42 1HD ARG 42 2.063 -14.913 -5.383 814 2HD ARG 42 2HD ARG 42 2.868 -15.628 -3.989 815 HE ARG 42 HE ARG 42 0.536 -14.720 -2.944 816 1HH1 ARG 42 1HH1 ARG 42 1.304 -16.819 -5.650 817 2HH1 ARG 42 2HH1 ARG 42 -0.181 -17.695 -5.567 818 1HH2 ARG 42 1HH2 ARG 42 -1.446 -15.874 -2.840 819 2HH2 ARG 42 2HH2 ARG 42 -1.769 -17.129 -3.995 820 H GLU 43 H GLU 43 1.779 -11.292 0.152 821 HA GLU 43 HA GLU 43 -0.076 -9.691 -1.416 822 1HB GLU 43 1HB GLU 43 -0.866 -12.090 -1.522 823 2HB GLU 43 2HB GLU 43 -1.110 -12.016 0.235 824 1HG GLU 43 1HG GLU 43 -2.739 -10.232 -0.058 825 2HG GLU 43 2HG GLU 43 -2.481 -10.244 -1.802 826 H ILE 44 H ILE 44 -1.103 -8.157 -0.237 827 HA ILE 44 HA ILE 44 -0.512 -7.991 2.657 828 HB ILE 44 HB ILE 44 -0.496 -5.725 0.644 829 1HG1 ILE 44 1HG1 ILE 44 1.515 -7.198 0.540 830 2HG1 ILE 44 2HG1 ILE 44 1.894 -5.557 1.070 831 1HG2 ILE 44 1HG2 ILE 44 -1.376 -5.005 2.803 832 2HG2 ILE 44 2HG2 ILE 44 0.206 -4.303 2.506 833 3HG2 ILE 44 3HG2 ILE 44 0.043 -5.663 3.615 834 1HD1 ILE 44 1HD1 ILE 44 1.625 -7.973 2.845 835 2HD1 ILE 44 2HD1 ILE 44 2.004 -6.327 3.385 836 3HD1 ILE 44 3HD1 ILE 44 3.125 -7.198 2.354 837 H VAL 45 H VAL 45 -2.260 -7.266 3.935 838 HA VAL 45 HA VAL 45 -4.809 -7.011 2.477 839 HB VAL 45 HB VAL 45 -4.345 -7.742 5.378 840 1HG1 VAL 45 1HG1 VAL 45 -6.928 -7.647 3.821 841 2HG1 VAL 45 2HG1 VAL 45 -6.435 -6.561 5.113 842 3HG1 VAL 45 3HG1 VAL 45 -6.742 -8.258 5.459 843 1HG2 VAL 45 1HG2 VAL 45 -3.639 -9.524 3.900 844 2HG2 VAL 45 2HG2 VAL 45 -5.177 -9.456 3.035 845 3HG2 VAL 45 3HG2 VAL 45 -5.126 -9.990 4.720 846 H ILE 46 H ILE 46 -5.116 -4.926 2.109 847 HA ILE 46 HA ILE 46 -4.645 -2.921 4.154 848 HB ILE 46 HB ILE 46 -5.908 -2.602 1.410 849 1HG1 ILE 46 1HG1 ILE 46 -3.023 -2.160 2.236 850 2HG1 ILE 46 2HG1 ILE 46 -3.601 -3.523 1.283 851 1HG2 ILE 46 1HG2 ILE 46 -4.679 -0.528 3.252 852 2HG2 ILE 46 2HG2 ILE 46 -6.396 -0.767 2.972 853 3HG2 ILE 46 3HG2 ILE 46 -5.362 -0.231 1.652 854 1HD1 ILE 46 1HD1 ILE 46 -2.565 -1.804 -0.109 855 2HD1 ILE 46 2HD1 ILE 46 -3.752 -0.623 0.466 856 3HD1 ILE 46 3HD1 ILE 46 -4.272 -2.008 -0.483 857 H ALA 47 H ALA 47 -6.122 -2.820 5.767 858 HA ALA 47 HA ALA 47 -8.938 -3.327 5.267 859 1HB ALA 47 1HB ALA 47 -7.483 -2.613 7.827 860 2HB ALA 47 2HB ALA 47 -7.881 -4.242 7.282 861 3HB ALA 47 3HB ALA 47 -9.175 -3.113 7.705 862 H HIS 48 H HIS 48 -10.571 -1.836 5.405 863 HA HIS 48 HA HIS 48 -9.923 0.956 5.972 864 1HB HIS 48 1HB HIS 48 -9.444 0.792 3.598 865 2HB HIS 48 2HB HIS 48 -10.989 0.003 3.301 866 HD1 HIS 48 HD1 HIS 48 -9.563 3.363 4.268 867 HD2 HIS 48 HD2 HIS 48 -13.090 1.696 2.851 868 HE1 HIS 48 HE1 HIS 48 -10.999 5.291 3.588 869 HE2 HIS 48 HE2 HIS 48 -13.204 4.267 2.933 870 H GLY 49 H GLY 49 -11.406 1.063 7.684 871 1HA GLY 49 1HA GLY 49 -13.493 1.890 8.301 872 2HA GLY 49 2HA GLY 49 -14.170 1.274 6.814 873 H ASP 50 H ASP 50 -14.140 -1.128 6.609 874 HA ASP 50 HA ASP 50 -13.943 -2.745 8.979 875 1HB ASP 50 1HB ASP 50 -16.200 -1.772 9.261 876 2HB ASP 50 2HB ASP 50 -16.640 -2.397 7.673 877 H ASP 51 H ASP 51 -14.191 -2.252 5.617 878 HA ASP 51 HA ASP 51 -14.424 -5.055 4.922 879 1HB ASP 51 1HB ASP 51 -15.453 -3.265 3.524 880 2HB ASP 51 2HB ASP 51 -13.856 -2.630 3.160 881 H ARG 52 H ARG 52 -12.751 -6.002 3.449 882 HA ARG 52 HA ARG 52 -10.054 -5.194 4.313 883 1HB ARG 52 1HB ARG 52 -11.072 -8.025 3.999 884 2HB ARG 52 2HB ARG 52 -9.422 -7.580 4.398 885 1HG ARG 52 1HG ARG 52 -10.399 -6.424 6.451 886 2HG ARG 52 2HG ARG 52 -11.908 -7.257 6.062 887 1HD ARG 52 1HD ARG 52 -9.244 -8.522 6.731 888 2HD ARG 52 2HD ARG 52 -10.716 -8.539 7.712 889 HE ARG 52 HE ARG 52 -10.617 -9.838 5.058 890 1HH1 ARG 52 1HH1 ARG 52 -11.340 -9.976 8.470 891 2HH1 ARG 52 2HH1 ARG 52 -11.960 -11.592 8.397 892 1HH2 ARG 52 1HH2 ARG 52 -11.438 -11.909 4.935 893 2HH2 ARG 52 2HH2 ARG 52 -12.032 -12.691 6.384 894 H TYR 53 H TYR 53 -8.786 -4.721 2.684 895 HA TYR 53 HA TYR 53 -9.425 -5.706 -0.026 896 1HB TYR 53 1HB TYR 53 -7.828 -3.296 0.890 897 2HB TYR 53 2HB TYR 53 -7.991 -3.802 -0.799 898 HD1 TYR 53 HD2 TYR 53 -9.982 -2.688 2.167 899 HD2 TYR 53 HD1 TYR 53 -9.826 -3.067 -2.087 900 HE1 TYR 53 HE2 TYR 53 -12.049 -1.371 1.957 901 HE2 TYR 53 HE1 TYR 53 -11.883 -1.739 -2.287 902 HH TYR 53 HH TYR 53 -13.895 -1.216 -0.797 903 H ARG 54 H ARG 54 -7.606 -6.313 -1.361 904 HA ARG 54 HA ARG 54 -5.297 -7.305 0.182 905 1HB ARG 54 1HB ARG 54 -6.828 -8.822 -1.968 906 2HB ARG 54 2HB ARG 54 -5.343 -9.369 -1.205 907 1HG ARG 54 1HG ARG 54 -6.389 -9.692 0.872 908 2HG ARG 54 2HG ARG 54 -7.784 -8.719 0.416 909 1HD ARG 54 1HD ARG 54 -8.334 -11.121 0.448 910 2HD ARG 54 2HD ARG 54 -8.453 -10.457 -1.191 911 HE ARG 54 HE ARG 54 -5.875 -11.605 -0.662 912 1HH1 ARG 54 1HH1 ARG 54 -9.140 -12.285 -1.705 913 2HH1 ARG 54 2HH1 ARG 54 -8.723 -13.789 -2.456 914 1HH2 ARG 54 1HH2 ARG 54 -5.288 -13.506 -1.706 915 2HH2 ARG 54 2HH2 ARG 54 -6.493 -14.497 -2.488 916 H LEU 55 H LEU 55 -3.652 -6.110 -0.536 917 HA LEU 55 HA LEU 55 -3.333 -5.497 -3.369 918 1HB LEU 55 1HB LEU 55 -2.809 -3.762 -1.639 919 2HB LEU 55 2HB LEU 55 -1.564 -4.841 -0.999 920 HG LEU 55 HG LEU 55 -0.347 -4.655 -3.144 921 1HD1 LEU 55 1HD1 LEU 55 -1.001 -2.974 -4.813 922 2HD1 LEU 55 2HD1 LEU 55 -2.455 -2.636 -3.894 923 3HD1 LEU 55 3HD1 LEU 55 -2.242 -4.217 -4.631 924 1HD2 LEU 55 1HD2 LEU 55 0.445 -2.350 -2.857 925 2HD2 LEU 55 2HD2 LEU 55 0.211 -3.147 -1.297 926 3HD2 LEU 55 3HD2 LEU 55 -0.976 -1.988 -1.875 927 H ARG 56 H ARG 56 -2.485 -7.046 -4.608 928 HA ARG 56 HA ARG 56 -0.612 -8.942 -3.332 929 1HB ARG 56 1HB ARG 56 -2.706 -10.083 -3.681 930 2HB ARG 56 2HB ARG 56 -2.833 -9.490 -5.315 931 1HG ARG 56 1HG ARG 56 -1.037 -10.891 -6.043 932 2HG ARG 56 2HG ARG 56 -0.668 -11.346 -4.390 933 1HD ARG 56 1HD ARG 56 -1.859 -13.127 -5.513 934 2HD ARG 56 2HD ARG 56 -2.826 -12.461 -4.199 935 HE ARG 56 HE ARG 56 -3.251 -11.762 -7.036 936 1HH1 ARG 56 1HH1 ARG 56 -4.489 -12.476 -3.851 937 2HH1 ARG 56 2HH1 ARG 56 -6.157 -12.559 -4.379 938 1HH2 ARG 56 1HH2 ARG 56 -5.425 -11.812 -7.727 939 2HH2 ARG 56 2HH2 ARG 56 -6.686 -12.184 -6.578 940 H LEU 57 H LEU 57 1.123 -9.622 -4.490 941 HA LEU 57 HA LEU 57 1.688 -8.106 -6.973 942 1HB LEU 57 1HB LEU 57 3.096 -7.948 -4.661 943 2HB LEU 57 2HB LEU 57 3.897 -9.340 -5.376 944 HG LEU 57 HG LEU 57 3.659 -6.628 -6.706 945 1HD1 LEU 57 1HD1 LEU 57 5.070 -6.485 -4.732 946 2HD1 LEU 57 2HD1 LEU 57 6.064 -6.381 -6.189 947 3HD1 LEU 57 3HD1 LEU 57 6.004 -7.890 -5.265 948 1HD2 LEU 57 1HD2 LEU 57 5.262 -9.069 -7.457 949 2HD2 LEU 57 2HD2 LEU 57 5.334 -7.509 -8.279 950 3HD2 LEU 57 3HD2 LEU 57 3.843 -8.458 -8.302 951 H THR 58 H THR 58 2.191 -9.208 -8.736 952 HA THR 58 HA THR 58 1.841 -12.078 -8.827 953 HB THR 58 HB THR 58 2.186 -11.810 -11.276 954 HG1 THR 58 HG1 THR 58 3.210 -9.414 -10.391 955 1HG2 THR 58 1HG2 THR 58 -0.069 -11.436 -10.300 956 2HG2 THR 58 2HG2 THR 58 0.206 -10.453 -11.728 957 3HG2 THR 58 3HG2 THR 58 0.315 -9.721 -10.119 958 H SER 59 H SER 59 3.596 -13.186 -10.450 959 HA SER 59 HA SER 59 6.056 -13.205 -9.060 960 1HB SER 59 1HB SER 59 5.437 -14.298 -11.821 961 2HB SER 59 2HB SER 59 6.814 -14.743 -10.811 962 HG SER 59 HG SER 59 5.303 -15.530 -9.275 963 H GLN 60 H GLN 60 6.467 -10.883 -9.114 964 HA GLN 60 HA GLN 60 7.932 -9.222 -9.644 965 1HB GLN 60 1HB GLN 60 9.433 -11.066 -10.352 966 2HB GLN 60 2HB GLN 60 8.755 -10.977 -11.969 967 1HG GLN 60 1HG GLN 60 9.585 -8.667 -12.182 968 2HG GLN 60 2HG GLN 60 10.320 -8.806 -10.574 969 1HE2 GLN 60 2HE2 GLN 60 11.578 -8.303 -13.133 970 2HE2 GLN 60 1HE2 GLN 60 12.743 -9.555 -13.354 971 H ASN 61 H ASN 61 5.723 -10.385 -12.068 972 HA ASN 61 HA ASN 61 6.147 -8.547 -14.102 973 1HB ASN 61 1HB ASN 61 4.711 -10.490 -14.412 974 2HB ASN 61 2HB ASN 61 3.514 -9.820 -13.301 975 1HD2 ASN 61 2HD2 ASN 61 1.915 -9.827 -14.848 976 2HD2 ASN 61 1HD2 ASN 61 1.880 -8.717 -16.165 977 H LYS 62 H LYS 62 3.380 -8.323 -11.841 978 HA LYS 62 HA LYS 62 3.889 -5.553 -11.306 979 1HB LYS 62 1HB LYS 62 1.609 -4.832 -12.168 980 2HB LYS 62 2HB LYS 62 2.842 -5.133 -13.381 981 1HG LYS 62 1HG LYS 62 0.865 -6.031 -14.248 982 2HG LYS 62 2HG LYS 62 1.792 -7.420 -13.694 983 1HD LYS 62 1HD LYS 62 0.415 -7.728 -11.818 984 2HD LYS 62 2HD LYS 62 -0.304 -6.124 -11.946 985 1HE LYS 62 1HE LYS 62 -0.693 -8.399 -13.896 986 2HE LYS 62 2HE LYS 62 -1.863 -7.852 -12.691 987 1HZ LYS 62 1HZ LYS 62 -1.989 -5.723 -13.793 988 2HZ LYS 62 2HZ LYS 62 -2.316 -6.949 -14.912 989 3HZ LYS 62 3HZ LYS 62 -0.812 -6.195 -14.913 990 H LEU 63 H LEU 63 1.384 -4.811 -10.384 991 HA LEU 63 HA LEU 63 0.691 -6.867 -8.425 992 1HB LEU 63 1HB LEU 63 0.640 -5.245 -6.583 993 2HB LEU 63 2HB LEU 63 2.246 -5.385 -7.250 994 HG LEU 63 HG LEU 63 0.409 -3.121 -8.053 995 1HD1 LEU 63 1HD1 LEU 63 0.659 -3.070 -5.621 996 2HD1 LEU 63 2HD1 LEU 63 1.535 -1.737 -6.388 997 3HD1 LEU 63 3HD1 LEU 63 2.412 -3.145 -5.785 998 1HD2 LEU 63 1HD2 LEU 63 3.415 -3.489 -8.156 999 2HD2 LEU 63 2HD2 LEU 63 2.543 -2.018 -8.590 1000 3HD2 LEU 63 3HD2 LEU 63 2.309 -3.503 -9.533 1001 H ILE 64 H ILE 64 -1.415 -6.336 -7.294 1002 HA ILE 64 HA ILE 64 -3.220 -4.686 -8.849 1003 HB ILE 64 HB ILE 64 -4.868 -6.571 -9.063 1004 1HG1 ILE 64 1HG1 ILE 64 -3.675 -8.910 -9.240 1005 2HG1 ILE 64 2HG1 ILE 64 -2.487 -8.201 -8.156 1006 1HG2 ILE 64 1HG2 ILE 64 -3.853 -7.530 -11.096 1007 2HG2 ILE 64 2HG2 ILE 64 -2.312 -6.805 -10.636 1008 3HG2 ILE 64 3HG2 ILE 64 -3.698 -5.776 -11.004 1009 1HD1 ILE 64 1HD1 ILE 64 -4.214 -7.825 -6.487 1010 2HD1 ILE 64 2HD1 ILE 64 -4.165 -9.524 -6.972 1011 3HD1 ILE 64 3HD1 ILE 64 -5.436 -8.454 -7.594 1012 H LEU 65 H LEU 65 -5.465 -4.721 -7.895 1013 HA LEU 65 HA LEU 65 -5.349 -5.156 -4.972 1014 1HB LEU 65 1HB LEU 65 -5.261 -2.744 -5.447 1015 2HB LEU 65 2HB LEU 65 -6.674 -2.887 -6.493 1016 HG LEU 65 HG LEU 65 -8.015 -3.518 -4.484 1017 1HD1 LEU 65 1HD1 LEU 65 -7.057 -3.137 -2.246 1018 2HD1 LEU 65 2HD1 LEU 65 -5.470 -2.873 -2.974 1019 3HD1 LEU 65 3HD1 LEU 65 -6.247 -4.456 -3.107 1020 1HD2 LEU 65 1HD2 LEU 65 -7.917 -1.173 -5.267 1021 2HD2 LEU 65 2HD2 LEU 65 -6.548 -0.886 -4.183 1022 3HD2 LEU 65 3HD2 LEU 65 -8.140 -1.291 -3.522 1023 H THR 66 H THR 66 -6.658 -6.776 -4.504 1024 HA THR 66 HA THR 66 -9.368 -6.797 -5.628 1025 HB THR 66 HB THR 66 -8.009 -8.410 -6.953 1026 HG1 THR 66 HG1 THR 66 -9.581 -9.941 -6.871 1027 1HG2 THR 66 1HG2 THR 66 -7.189 -10.465 -5.874 1028 2HG2 THR 66 2HG2 THR 66 -7.636 -9.810 -4.289 1029 3HG2 THR 66 3HG2 THR 66 -6.375 -9.037 -5.251 1030 H LYS 67 H LYS 67 -10.593 -8.696 -4.343 1031 HA LYS 67 HA LYS 67 -9.600 -9.135 -1.686 1032 1HB LYS 67 1HB LYS 67 -11.805 -8.348 -0.654 1033 2HB LYS 67 2HB LYS 67 -10.644 -7.114 -1.120 1034 1HG LYS 67 1HG LYS 67 -11.906 -6.584 -3.092 1035 2HG LYS 67 2HG LYS 67 -13.025 -7.924 -2.790 1036 1HD LYS 67 1HD LYS 67 -13.769 -6.862 -0.726 1037 2HD LYS 67 2HD LYS 67 -12.634 -5.533 -0.976 1038 1HE LYS 67 1HE LYS 67 -13.815 -4.866 -2.979 1039 2HE LYS 67 2HE LYS 67 -14.900 -6.249 -2.843 1040 1HZ LYS 67 1HZ LYS 67 -15.821 -4.095 -2.004 1041 2HZ LYS 67 2HZ LYS 67 -14.689 -4.146 -0.755 1042 3HZ LYS 67 3HZ LYS 67 -15.856 -5.352 -0.879 Start of MODEL 8 1 1H MET 1 1H MET 1 5.387 21.839 -23.608 2 2H MET 1 2H MET 1 4.806 21.284 -25.099 3 3H MET 1 3H MET 1 4.405 20.463 -23.672 4 HA MET 1 HA MET 1 2.554 21.756 -24.479 5 1HB MET 1 1HB MET 1 2.795 21.353 -22.061 6 2HB MET 1 2HB MET 1 3.809 22.787 -21.917 7 1HG MET 1 1HG MET 1 1.569 23.243 -21.138 8 2HG MET 1 2HG MET 1 1.920 24.195 -22.587 9 1HE MET 1 1HE MET 1 -0.769 20.432 -22.588 10 2HE MET 1 2HE MET 1 -0.004 21.090 -21.127 11 3HE MET 1 3HE MET 1 0.988 20.335 -22.385 12 H MET 2 H MET 2 2.531 23.136 -26.148 13 HA MET 2 HA MET 2 4.256 25.492 -26.187 14 1HB MET 2 1HB MET 2 3.414 25.838 -28.461 15 2HB MET 2 2HB MET 2 4.002 24.185 -28.251 16 1HG MET 2 1HG MET 2 1.697 23.388 -28.067 17 2HG MET 2 2HG MET 2 1.098 25.044 -28.200 18 1HE MET 2 1HE MET 2 -0.527 24.347 -30.226 19 2HE MET 2 2HE MET 2 0.043 22.690 -30.029 20 3HE MET 2 3HE MET 2 0.031 23.420 -31.627 21 H THR 3 H THR 3 0.805 24.707 -26.010 22 HA THR 3 HA THR 3 0.209 27.553 -25.522 23 HB THR 3 HB THR 3 -2.167 26.916 -26.067 24 HG1 THR 3 HG1 THR 3 -2.078 24.688 -25.769 25 1HG2 THR 3 1HG2 THR 3 -0.124 26.437 -28.231 26 2HG2 THR 3 2HG2 THR 3 -0.770 27.997 -27.756 27 3HG2 THR 3 3HG2 THR 3 -1.817 26.793 -28.501 28 H ALA 4 H ALA 4 0.864 27.365 -23.305 29 HA ALA 4 HA ALA 4 -0.866 25.711 -21.586 30 1HB ALA 4 1HB ALA 4 0.658 26.374 -19.779 31 2HB ALA 4 2HB ALA 4 1.481 27.501 -20.851 32 3HB ALA 4 3HB ALA 4 1.584 25.760 -21.155 33 H SER 5 H SER 5 -0.580 28.848 -22.850 34 HA SER 5 HA SER 5 -1.524 30.526 -20.844 35 1HB SER 5 1HB SER 5 -2.065 30.708 -23.819 36 2HB SER 5 2HB SER 5 -2.190 32.027 -22.651 37 HG SER 5 HG SER 5 -0.172 31.870 -23.881 38 H ASP 6 H ASP 6 -3.246 30.299 -19.669 39 HA ASP 6 HA ASP 6 -5.426 30.346 -19.053 40 1HB ASP 6 1HB ASP 6 -5.884 31.613 -21.166 41 2HB ASP 6 2HB ASP 6 -6.210 30.083 -21.966 42 H ARG 7 H ARG 7 -4.588 27.876 -21.411 43 HA ARG 7 HA ARG 7 -6.495 25.985 -20.574 44 1HB ARG 7 1HB ARG 7 -5.276 25.833 -22.726 45 2HB ARG 7 2HB ARG 7 -3.789 25.516 -21.856 46 1HG ARG 7 1HG ARG 7 -4.670 23.433 -22.696 47 2HG ARG 7 2HG ARG 7 -4.774 23.449 -20.936 48 1HD ARG 7 1HD ARG 7 -7.103 24.201 -22.696 49 2HD ARG 7 2HD ARG 7 -6.800 22.539 -22.190 50 HE ARG 7 HE ARG 7 -7.771 24.736 -20.555 51 1HH1 ARG 7 1HH1 ARG 7 -6.595 21.433 -20.665 52 2HH1 ARG 7 2HH1 ARG 7 -7.057 21.087 -19.041 53 1HH2 ARG 7 1HH2 ARG 7 -8.356 24.295 -18.393 54 2HH2 ARG 7 2HH2 ARG 7 -8.015 22.723 -17.740 55 H LEU 8 H LEU 8 -2.989 26.144 -19.830 56 HA LEU 8 HA LEU 8 -3.466 24.696 -17.341 57 1HB LEU 8 1HB LEU 8 -0.923 25.612 -18.691 58 2HB LEU 8 2HB LEU 8 -0.951 24.867 -17.103 59 HG LEU 8 HG LEU 8 -1.963 22.817 -18.159 60 1HD1 LEU 8 1HD1 LEU 8 -1.260 24.220 -20.736 61 2HD1 LEU 8 2HD1 LEU 8 -2.885 23.828 -20.174 62 3HD1 LEU 8 3HD1 LEU 8 -1.747 22.542 -20.583 63 1HD2 LEU 8 1HD2 LEU 8 0.165 22.032 -19.154 64 2HD2 LEU 8 2HD2 LEU 8 0.421 22.887 -17.631 65 3HD2 LEU 8 3HD2 LEU 8 0.751 23.697 -19.168 66 H GLY 9 H GLY 9 -4.188 25.917 -15.704 67 1HA GLY 9 1HA GLY 9 -2.759 28.122 -14.671 68 2HA GLY 9 2HA GLY 9 -4.082 28.728 -15.662 69 H ALA 10 H ALA 10 -5.878 26.553 -15.024 70 HA ALA 10 HA ALA 10 -6.186 26.368 -12.188 71 1HB ALA 10 1HB ALA 10 -6.998 28.690 -12.561 72 2HB ALA 10 2HB ALA 10 -8.279 27.601 -11.976 73 3HB ALA 10 3HB ALA 10 -8.187 28.050 -13.682 74 H ASP 11 H ASP 11 -6.660 24.274 -12.146 75 HA ASP 11 HA ASP 11 -8.805 23.271 -13.908 76 1HB ASP 11 1HB ASP 11 -6.165 21.953 -13.270 77 2HB ASP 11 2HB ASP 11 -7.535 21.067 -13.910 78 HA PRO 12 HA PRO 12 -10.408 21.576 -10.073 79 1HB PRO 12 1HB PRO 12 -12.508 20.256 -11.056 80 2HB PRO 12 2HB PRO 12 -12.437 22.023 -11.160 81 1HG PRO 12 1HG PRO 12 -11.809 19.982 -13.264 82 2HG PRO 12 2HG PRO 12 -12.774 21.469 -13.394 83 1HD PRO 12 1HD PRO 12 -10.123 21.274 -14.155 84 2HD PRO 12 2HD PRO 12 -10.903 22.796 -13.670 85 H THR 13 H THR 13 -8.259 20.163 -11.748 86 HA THR 13 HA THR 13 -8.945 17.355 -11.606 87 HB THR 13 HB THR 13 -6.596 17.035 -12.406 88 HG1 THR 13 HG1 THR 13 -5.244 18.682 -12.575 89 1HG2 THR 13 1HG2 THR 13 -6.939 17.986 -14.640 90 2HG2 THR 13 2HG2 THR 13 -8.208 19.027 -14.001 91 3HG2 THR 13 3HG2 THR 13 -8.431 17.284 -14.022 92 H GLN 14 H GLN 14 -8.809 18.967 -9.097 93 HA GLN 14 HA GLN 14 -6.427 18.211 -7.698 94 1HB GLN 14 1HB GLN 14 -7.730 20.262 -7.161 95 2HB GLN 14 2HB GLN 14 -9.055 19.249 -6.602 96 1HG GLN 14 1HG GLN 14 -7.683 18.383 -4.814 97 2HG GLN 14 2HG GLN 14 -6.281 19.254 -5.418 98 1HE2 GLN 14 2HE2 GLN 14 -7.596 19.384 -2.822 99 2HE2 GLN 14 1HE2 GLN 14 -7.982 21.050 -2.575 100 H ALA 15 H ALA 15 -6.460 15.939 -8.129 101 HA ALA 15 HA ALA 15 -8.214 14.414 -6.289 102 1HB ALA 15 1HB ALA 15 -7.259 13.513 -9.022 103 2HB ALA 15 2HB ALA 15 -8.902 14.036 -8.618 104 3HB ALA 15 3HB ALA 15 -8.233 12.585 -7.889 105 H ALA 16 H ALA 16 -5.105 14.633 -7.975 106 HA ALA 16 HA ALA 16 -3.857 12.537 -6.427 107 1HB ALA 16 1HB ALA 16 -2.657 14.547 -8.349 108 2HB ALA 16 2HB ALA 16 -3.210 12.936 -8.775 109 3HB ALA 16 3HB ALA 16 -1.828 13.138 -7.694 110 H SER 17 H SER 17 -4.939 14.626 -4.857 111 HA SER 17 HA SER 17 -3.142 16.654 -4.155 112 1HB SER 17 1HB SER 17 -5.335 15.392 -2.494 113 2HB SER 17 2HB SER 17 -4.608 16.967 -2.201 114 HG SER 17 HG SER 17 -5.315 17.426 -4.454 115 H SER 18 H SER 18 -1.237 16.503 -3.198 116 HA SER 18 HA SER 18 -0.923 14.929 -0.811 117 1HB SER 18 1HB SER 18 1.150 13.760 -1.739 118 2HB SER 18 2HB SER 18 -0.391 13.170 -2.359 119 HG SER 18 HG SER 18 0.294 13.650 -4.271 120 HA PRO 19 HA PRO 19 1.478 18.814 -0.463 121 1HB PRO 19 1HB PRO 19 1.700 18.559 2.297 122 2HB PRO 19 2HB PRO 19 0.353 19.361 1.474 123 1HG PRO 19 1HG PRO 19 0.524 16.577 2.546 124 2HG PRO 19 2HG PRO 19 -0.816 17.742 2.628 125 1HD PRO 19 1HD PRO 19 -0.812 15.714 0.858 126 2HD PRO 19 2HD PRO 19 -1.482 17.304 0.444 127 H GLY 20 H GLY 20 2.115 15.714 1.160 128 1HA GLY 20 1HA GLY 20 4.097 14.473 0.644 129 2HA GLY 20 2HA GLY 20 4.939 15.988 0.356 130 H GLY 21 H GLY 21 4.586 13.470 2.449 131 1HA GLY 21 1HA GLY 21 6.403 14.775 4.337 132 2HA GLY 21 2HA GLY 21 4.895 14.175 5.019 133 H ALA 22 H ALA 22 7.468 13.009 5.791 134 HA ALA 22 HA ALA 22 7.371 10.476 4.320 135 1HB ALA 22 1HB ALA 22 9.516 11.611 4.029 136 2HB ALA 22 2HB ALA 22 9.719 10.171 5.017 137 3HB ALA 22 3HB ALA 22 9.694 11.768 5.774 138 H ARG 23 H ARG 23 6.791 8.763 5.513 139 HA ARG 23 HA ARG 23 6.899 8.884 8.427 140 1HB ARG 23 1HB ARG 23 4.441 8.347 8.578 141 2HB ARG 23 2HB ARG 23 4.816 9.967 8.024 142 1HG ARG 23 1HG ARG 23 4.518 9.112 5.657 143 2HG ARG 23 2HG ARG 23 3.835 7.649 6.376 144 1HD ARG 23 1HD ARG 23 2.135 9.028 7.532 145 2HD ARG 23 2HD ARG 23 2.801 10.452 6.770 146 HE ARG 23 HE ARG 23 1.442 8.270 5.343 147 1HH1 ARG 23 1HH1 ARG 23 2.546 11.614 5.487 148 2HH1 ARG 23 2HH1 ARG 23 1.626 12.091 4.088 149 1HH2 ARG 23 1HH2 ARG 23 0.253 8.956 3.494 150 2HH2 ARG 23 2HH2 ARG 23 0.379 10.612 2.956 151 H ALA 24 H ALA 24 6.342 6.920 9.460 152 HA ALA 24 HA ALA 24 7.040 4.581 7.803 153 1HB ALA 24 1HB ALA 24 8.580 4.987 9.644 154 2HB ALA 24 2HB ALA 24 7.668 3.507 9.943 155 3HB ALA 24 3HB ALA 24 7.238 5.001 10.796 156 H VAL 25 H VAL 25 5.389 3.435 7.207 157 HA VAL 25 HA VAL 25 2.989 3.327 8.920 158 HB VAL 25 HB VAL 25 1.749 2.553 6.928 159 1HG1 VAL 25 1HG1 VAL 25 1.776 4.910 7.498 160 2HG1 VAL 25 2HG1 VAL 25 1.732 4.713 5.759 161 3HG1 VAL 25 3HG1 VAL 25 3.234 5.165 6.557 162 1HG2 VAL 25 1HG2 VAL 25 4.377 3.044 5.526 163 2HG2 VAL 25 2HG2 VAL 25 2.825 2.767 4.707 164 3HG2 VAL 25 3HG2 VAL 25 3.541 1.502 5.700 165 H SER 26 H SER 26 2.290 1.393 9.722 166 HA SER 26 HA SER 26 4.355 -0.667 9.682 167 1HB SER 26 1HB SER 26 3.164 -1.499 11.751 168 2HB SER 26 2HB SER 26 3.817 0.132 11.864 169 HG SER 26 HG SER 26 1.410 0.455 10.926 170 H ILE 27 H ILE 27 4.006 -2.783 9.399 171 HA ILE 27 HA ILE 27 1.461 -3.610 8.156 172 HB ILE 27 HB ILE 27 4.183 -4.859 7.691 173 1HG1 ILE 27 1HG1 ILE 27 4.156 -2.590 6.759 174 2HG1 ILE 27 2HG1 ILE 27 4.154 -3.782 5.467 175 1HG2 ILE 27 1HG2 ILE 27 1.524 -5.283 6.298 176 2HG2 ILE 27 2HG2 ILE 27 2.352 -6.413 7.354 177 3HG2 ILE 27 3HG2 ILE 27 3.063 -6.003 5.810 178 1HD1 ILE 27 1HD1 ILE 27 1.733 -3.437 5.191 179 2HD1 ILE 27 2HD1 ILE 27 2.658 -1.959 4.935 180 3HD1 ILE 27 3HD1 ILE 27 1.792 -2.207 6.456 181 H VAL 28 H VAL 28 0.367 -5.102 9.340 182 HA VAL 28 HA VAL 28 1.824 -6.501 11.477 183 HB VAL 28 HB VAL 28 -0.413 -6.842 12.540 184 1HG1 VAL 28 1HG1 VAL 28 0.318 -3.967 11.990 185 2HG1 VAL 28 2HG1 VAL 28 1.004 -5.005 13.242 186 3HG1 VAL 28 3HG1 VAL 28 -0.698 -4.540 13.322 187 1HG2 VAL 28 1HG2 VAL 28 -2.333 -5.491 11.790 188 2HG2 VAL 28 2HG2 VAL 28 -1.853 -6.686 10.588 189 3HG2 VAL 28 3HG2 VAL 28 -1.406 -4.997 10.362 190 H GLY 29 H GLY 29 2.572 -8.305 10.522 191 1HA GLY 29 1HA GLY 29 2.389 -10.535 9.896 192 2HA GLY 29 2HA GLY 29 0.648 -10.349 9.759 193 H ASN 30 H ASN 30 -0.091 -8.985 7.939 194 HA ASN 30 HA ASN 30 1.699 -8.356 5.802 195 1HB ASN 30 1HB ASN 30 0.648 -9.738 4.088 196 2HB ASN 30 2HB ASN 30 1.309 -10.769 5.342 197 1HD2 ASN 30 2HD2 ASN 30 -0.907 -11.107 3.364 198 2HD2 ASN 30 1HD2 ASN 30 -2.268 -11.622 4.324 199 H GLN 31 H GLN 31 -0.392 -7.254 7.686 200 HA GLN 31 HA GLN 31 -2.343 -6.238 5.718 201 1HB GLN 31 1HB GLN 31 -3.363 -7.648 7.476 202 2HB GLN 31 2HB GLN 31 -2.722 -6.581 8.704 203 1HG GLN 31 1HG GLN 31 -4.101 -4.759 7.878 204 2HG GLN 31 2HG GLN 31 -4.722 -5.793 6.586 205 1HE2 GLN 31 2HE2 GLN 31 -4.818 -5.070 9.984 206 2HE2 GLN 31 1HE2 GLN 31 -6.210 -6.038 10.359 207 H ILE 32 H ILE 32 -2.986 -4.061 5.955 208 HA ILE 32 HA ILE 32 -1.287 -2.299 7.475 209 HB ILE 32 HB ILE 32 -0.064 -2.390 5.313 210 1HG1 ILE 32 1HG1 ILE 32 -1.520 0.246 5.684 211 2HG1 ILE 32 2HG1 ILE 32 -0.141 -0.289 6.636 212 1HG2 ILE 32 1HG2 ILE 32 -2.648 -1.400 4.099 213 2HG2 ILE 32 2HG2 ILE 32 -1.948 -3.002 3.875 214 3HG2 ILE 32 3HG2 ILE 32 -1.114 -1.577 3.260 215 1HD1 ILE 32 1HD1 ILE 32 -0.175 0.318 3.713 216 2HD1 ILE 32 2HD1 ILE 32 1.213 -0.340 4.581 217 3HD1 ILE 32 3HD1 ILE 32 0.594 1.261 4.986 218 H ASP 33 H ASP 33 -2.324 -0.251 7.769 219 HA ASP 33 HA ASP 33 -5.236 -0.454 7.361 220 1HB ASP 33 1HB ASP 33 -4.549 -0.416 9.687 221 2HB ASP 33 2HB ASP 33 -3.572 1.021 9.431 222 H SER 34 H SER 34 -6.372 1.093 6.266 223 HA SER 34 HA SER 34 -5.113 2.717 4.406 224 1HB SER 34 1HB SER 34 -7.475 1.944 4.294 225 2HB SER 34 2HB SER 34 -7.888 3.074 5.579 226 HG SER 34 HG SER 34 -6.718 4.544 3.808 227 H ARG 35 H ARG 35 -5.758 3.423 7.738 228 HA ARG 35 HA ARG 35 -5.661 6.298 7.485 229 1HB ARG 35 1HB ARG 35 -5.649 4.410 9.786 230 2HB ARG 35 2HB ARG 35 -5.101 6.045 10.070 231 1HG ARG 35 1HG ARG 35 -7.427 5.843 10.635 232 2HG ARG 35 2HG ARG 35 -7.232 6.913 9.246 233 1HD ARG 35 1HD ARG 35 -9.121 5.472 8.841 234 2HD ARG 35 2HD ARG 35 -7.801 5.012 7.763 235 HE ARG 35 HE ARG 35 -7.352 3.160 9.378 236 1HH1 ARG 35 1HH1 ARG 35 -10.543 4.609 9.245 237 2HH1 ARG 35 2HH1 ARG 35 -11.350 3.138 9.714 238 1HH2 ARG 35 1HH2 ARG 35 -8.413 1.233 9.949 239 2HH2 ARG 35 2HH2 ARG 35 -10.151 1.212 10.087 240 H GLU 36 H GLU 36 -3.323 3.753 8.155 241 HA GLU 36 HA GLU 36 -1.075 5.180 8.834 242 1HB GLU 36 1HB GLU 36 -1.266 2.792 6.975 243 2HB GLU 36 2HB GLU 36 0.227 3.372 7.712 244 1HG GLU 36 1HG GLU 36 -2.175 2.446 9.278 245 2HG GLU 36 2HG GLU 36 -0.836 1.383 8.822 246 H LEU 37 H LEU 37 -2.281 4.449 5.582 247 HA LEU 37 HA LEU 37 -0.144 5.870 4.272 248 1HB LEU 37 1HB LEU 37 -2.685 4.607 3.223 249 2HB LEU 37 2HB LEU 37 -1.440 5.308 2.208 250 HG LEU 37 HG LEU 37 -1.069 2.930 4.041 251 1HD1 LEU 37 1HD1 LEU 37 -0.935 1.607 2.028 252 2HD1 LEU 37 2HD1 LEU 37 -1.213 3.036 1.021 253 3HD1 LEU 37 3HD1 LEU 37 -2.489 2.437 2.086 254 1HD2 LEU 37 1HD2 LEU 37 1.098 2.694 2.940 255 2HD2 LEU 37 2HD2 LEU 37 0.986 4.214 3.820 256 3HD2 LEU 37 3HD2 LEU 37 0.835 4.188 2.053 257 H PHE 38 H PHE 38 -3.676 6.364 4.581 258 HA PHE 38 HA PHE 38 -3.402 8.932 3.205 259 1HB PHE 38 1HB PHE 38 -5.867 7.284 3.852 260 2HB PHE 38 2HB PHE 38 -5.838 8.769 2.902 261 HD1 PHE 38 HD2 PHE 38 -4.575 8.792 0.707 262 HD2 PHE 38 HD1 PHE 38 -5.426 5.196 2.843 263 HE1 PHE 38 HE2 PHE 38 -4.178 7.480 -1.340 264 HE2 PHE 38 HE1 PHE 38 -5.019 3.891 0.804 265 HZ PHE 38 HZ PHE 38 -4.405 5.032 -1.287 266 H THR 39 H THR 39 -2.648 8.569 6.015 267 HA THR 39 HA THR 39 -4.451 9.673 7.799 268 HB THR 39 HB THR 39 -2.372 8.810 8.635 269 HG1 THR 39 HG1 THR 39 -3.361 10.832 9.600 270 1HG2 THR 39 1HG2 THR 39 -0.948 11.019 7.145 271 2HG2 THR 39 2HG2 THR 39 -0.925 9.311 6.719 272 3HG2 THR 39 3HG2 THR 39 -0.195 9.844 8.237 273 H VAL 40 H VAL 40 -2.189 11.325 5.593 274 HA VAL 40 HA VAL 40 -3.885 13.682 5.603 275 HB VAL 40 HB VAL 40 -2.372 14.163 7.484 276 1HG1 VAL 40 1HG1 VAL 40 -0.134 13.810 5.500 277 2HG1 VAL 40 2HG1 VAL 40 -0.488 12.772 6.877 278 3HG1 VAL 40 3HG1 VAL 40 0.040 14.436 7.147 279 1HG2 VAL 40 1HG2 VAL 40 -3.094 16.050 6.197 280 2HG2 VAL 40 2HG2 VAL 40 -1.779 15.836 5.050 281 3HG2 VAL 40 3HG2 VAL 40 -1.425 16.309 6.707 282 H ASP 41 H ASP 41 -4.106 12.639 3.413 283 HA ASP 41 HA ASP 41 -2.723 13.772 1.352 284 1HB ASP 41 1HB ASP 41 -1.567 11.094 2.177 285 2HB ASP 41 2HB ASP 41 -1.580 11.573 0.482 286 H ARG 42 H ARG 42 -3.447 12.678 -0.758 287 HA ARG 42 HA ARG 42 -5.917 11.131 -0.201 288 1HB ARG 42 1HB ARG 42 -6.427 13.420 -0.941 289 2HB ARG 42 2HB ARG 42 -5.461 13.181 -2.382 290 1HG ARG 42 1HG ARG 42 -6.997 11.549 -3.249 291 2HG ARG 42 2HG ARG 42 -7.895 11.540 -1.723 292 1HD ARG 42 1HD ARG 42 -7.599 13.912 -3.570 293 2HD ARG 42 2HD ARG 42 -9.008 12.841 -3.520 294 HE ARG 42 HE ARG 42 -8.537 13.814 -0.935 295 1HH1 ARG 42 1HH1 ARG 42 -9.560 14.989 -4.054 296 2HH1 ARG 42 2HH1 ARG 42 -10.483 16.307 -3.422 297 1HH2 ARG 42 1HH2 ARG 42 -9.800 15.540 -0.079 298 2HH2 ARG 42 2HH2 ARG 42 -10.608 16.644 -1.154 299 H GLU 43 H GLU 43 -2.910 11.076 -1.727 300 HA GLU 43 HA GLU 43 -3.658 8.698 -3.246 301 1HB GLU 43 1HB GLU 43 -3.974 10.638 -4.802 302 2HB GLU 43 2HB GLU 43 -2.283 11.060 -4.584 303 1HG GLU 43 1HG GLU 43 -1.661 8.852 -5.528 304 2HG GLU 43 2HG GLU 43 -3.372 8.514 -5.794 305 H ILE 44 H ILE 44 -2.031 7.253 -3.426 306 HA ILE 44 HA ILE 44 0.613 7.961 -2.322 307 HB ILE 44 HB ILE 44 -0.910 5.372 -1.948 308 1HG1 ILE 44 1HG1 ILE 44 -1.742 7.155 -0.524 309 2HG1 ILE 44 2HG1 ILE 44 -0.935 5.920 0.436 310 1HG2 ILE 44 1HG2 ILE 44 0.983 4.672 -0.549 311 2HG2 ILE 44 2HG2 ILE 44 1.849 6.151 -0.953 312 3HG2 ILE 44 3HG2 ILE 44 1.507 4.949 -2.218 313 1HD1 ILE 44 1HD1 ILE 44 0.218 8.595 -0.342 314 2HD1 ILE 44 2HD1 ILE 44 1.046 7.346 0.592 315 3HD1 ILE 44 3HD1 ILE 44 -0.386 8.138 1.255 316 H VAL 45 H VAL 45 2.356 7.176 -3.433 317 HA VAL 45 HA VAL 45 1.813 5.940 -6.048 318 HB VAL 45 HB VAL 45 4.297 7.367 -5.070 319 1HG1 VAL 45 1HG1 VAL 45 3.595 6.376 -7.855 320 2HG1 VAL 45 2HG1 VAL 45 4.821 5.699 -6.774 321 3HG1 VAL 45 3HG1 VAL 45 5.023 7.340 -7.419 322 1HG2 VAL 45 1HG2 VAL 45 3.598 9.207 -6.538 323 2HG2 VAL 45 2HG2 VAL 45 2.371 8.895 -5.306 324 3HG2 VAL 45 3HG2 VAL 45 2.127 8.326 -6.951 325 H ILE 46 H ILE 46 2.943 4.105 -6.701 326 HA ILE 46 HA ILE 46 4.434 2.645 -4.623 327 HB ILE 46 HB ILE 46 2.259 1.410 -6.362 328 1HG1 ILE 46 1HG1 ILE 46 2.245 1.927 -3.361 329 2HG1 ILE 46 2HG1 ILE 46 1.306 2.814 -4.557 330 1HG2 ILE 46 1HG2 ILE 46 4.070 -0.142 -5.913 331 2HG2 ILE 46 2HG2 ILE 46 2.649 -0.619 -4.982 332 3HG2 ILE 46 3HG2 ILE 46 3.992 0.205 -4.185 333 1HD1 ILE 46 1HD1 ILE 46 1.030 -0.101 -3.878 334 2HD1 ILE 46 2HD1 ILE 46 0.109 0.738 -5.128 335 3HD1 ILE 46 3HD1 ILE 46 -0.078 1.199 -3.432 336 H ALA 47 H ALA 47 6.418 2.500 -5.555 337 HA ALA 47 HA ALA 47 6.687 2.304 -8.440 338 1HB ALA 47 1HB ALA 47 8.795 2.448 -6.273 339 2HB ALA 47 2HB ALA 47 8.154 3.819 -7.190 340 3HB ALA 47 3HB ALA 47 9.083 2.559 -8.014 341 H HIS 48 H HIS 48 7.238 0.501 -9.549 342 HA HIS 48 HA HIS 48 8.286 -1.840 -8.167 343 1HB HIS 48 1HB HIS 48 5.901 -2.243 -7.973 344 2HB HIS 48 2HB HIS 48 5.643 -1.844 -9.682 345 HD1 HIS 48 HD1 HIS 48 7.146 -4.538 -7.460 346 HD2 HIS 48 HD2 HIS 48 6.051 -3.944 -11.429 347 HE1 HIS 48 HE1 HIS 48 7.325 -6.784 -8.573 348 HE2 HIS 48 HE2 HIS 48 6.896 -6.336 -11.006 349 H GLY 49 H GLY 49 10.158 -1.817 -9.381 350 1HA GLY 49 1HA GLY 49 11.291 -2.852 -11.153 351 2HA GLY 49 2HA GLY 49 9.809 -2.843 -12.103 352 H ASP 50 H ASP 50 9.228 -0.985 -13.225 353 HA ASP 50 HA ASP 50 11.183 1.227 -13.267 354 1HB ASP 50 1HB ASP 50 9.993 -0.150 -15.692 355 2HB ASP 50 2HB ASP 50 10.935 1.346 -15.744 356 H ASP 51 H ASP 51 7.977 0.123 -13.195 357 HA ASP 51 HA ASP 51 6.872 2.615 -14.243 358 1HB ASP 51 1HB ASP 51 6.036 0.391 -15.055 359 2HB ASP 51 2HB ASP 51 5.379 0.115 -13.432 360 H ARG 52 H ARG 52 4.821 3.347 -13.031 361 HA ARG 52 HA ARG 52 5.197 3.201 -10.133 362 1HB ARG 52 1HB ARG 52 4.830 5.727 -11.753 363 2HB ARG 52 2HB ARG 52 4.554 5.651 -10.017 364 1HG ARG 52 1HG ARG 52 6.911 4.910 -9.731 365 2HG ARG 52 2HG ARG 52 7.175 5.164 -11.457 366 1HD ARG 52 1HD ARG 52 6.316 7.258 -9.475 367 2HD ARG 52 2HD ARG 52 7.932 7.072 -10.148 368 HE ARG 52 HE ARG 52 6.152 7.321 -12.281 369 1HH1 ARG 52 1HH1 ARG 52 7.279 9.246 -9.597 370 2HH1 ARG 52 2HH1 ARG 52 7.116 10.755 -10.433 371 1HH2 ARG 52 1HH2 ARG 52 5.951 9.292 -13.401 372 2HH2 ARG 52 2HH2 ARG 52 6.372 10.774 -12.610 373 H TYR 53 H TYR 53 3.404 2.855 -9.046 374 HA TYR 53 HA TYR 53 0.848 2.903 -10.509 375 1HB TYR 53 1HB TYR 53 1.675 1.336 -8.043 376 2HB TYR 53 2HB TYR 53 0.078 1.292 -8.807 377 HD1 TYR 53 HD2 TYR 53 3.666 0.759 -9.739 378 HD2 TYR 53 HD1 TYR 53 -0.383 -0.422 -10.288 379 HE1 TYR 53 HE2 TYR 53 4.416 -1.080 -11.214 380 HE2 TYR 53 HE1 TYR 53 0.327 -2.220 -11.795 381 HH TYR 53 HH TYR 53 2.260 -2.786 -13.221 382 H ARG 54 H ARG 54 -1.058 3.546 -9.160 383 HA ARG 54 HA ARG 54 -0.307 5.381 -6.971 384 1HB ARG 54 1HB ARG 54 -2.158 6.064 -9.262 385 2HB ARG 54 2HB ARG 54 -1.940 7.050 -7.819 386 1HG ARG 54 1HG ARG 54 0.453 7.350 -8.424 387 2HG ARG 54 2HG ARG 54 0.163 6.442 -9.914 388 1HD ARG 54 1HD ARG 54 -1.567 8.104 -10.559 389 2HD ARG 54 2HD ARG 54 -1.182 9.028 -9.086 390 HE ARG 54 HE ARG 54 0.855 8.517 -11.173 391 1HH1 ARG 54 1HH1 ARG 54 -0.864 10.744 -9.090 392 2HH1 ARG 54 2HH1 ARG 54 -0.002 12.140 -9.671 393 1HH2 ARG 54 1HH2 ARG 54 2.005 10.324 -11.900 394 2HH2 ARG 54 2HH2 ARG 54 1.642 11.880 -11.252 395 H LEU 55 H LEU 55 -1.232 4.513 -5.285 396 HA LEU 55 HA LEU 55 -3.888 3.326 -5.368 397 1HB LEU 55 1HB LEU 55 -2.033 2.366 -3.974 398 2HB LEU 55 2HB LEU 55 -2.074 3.820 -3.000 399 HG LEU 55 HG LEU 55 -4.423 3.293 -2.367 400 1HD1 LEU 55 1HD1 LEU 55 -5.288 1.046 -2.790 401 2HD1 LEU 55 2HD1 LEU 55 -3.895 0.695 -3.797 402 3HD1 LEU 55 3HD1 LEU 55 -5.049 1.941 -4.294 403 1HD2 LEU 55 1HD2 LEU 55 -2.408 1.123 -1.738 404 2HD2 LEU 55 2HD2 LEU 55 -3.853 1.510 -0.805 405 3HD2 LEU 55 3HD2 LEU 55 -2.549 2.676 -0.915 406 H ARG 56 H ARG 56 -5.577 4.670 -5.320 407 HA ARG 56 HA ARG 56 -5.236 7.333 -4.084 408 1HB ARG 56 1HB ARG 56 -5.441 7.457 -6.537 409 2HB ARG 56 2HB ARG 56 -6.963 6.619 -6.459 410 1HG ARG 56 1HG ARG 56 -7.917 8.471 -5.142 411 2HG ARG 56 2HG ARG 56 -6.370 9.318 -5.276 412 1HD ARG 56 1HD ARG 56 -8.206 8.526 -7.543 413 2HD ARG 56 2HD ARG 56 -7.940 10.155 -6.938 414 HE ARG 56 HE ARG 56 -5.511 9.656 -7.619 415 1HH1 ARG 56 1HH1 ARG 56 -8.338 8.508 -9.343 416 2HH1 ARG 56 2HH1 ARG 56 -7.526 8.508 -10.877 417 1HH2 ARG 56 1HH2 ARG 56 -4.458 9.696 -9.603 418 2HH2 ARG 56 2HH2 ARG 56 -5.302 9.182 -11.041 419 H LEU 57 H LEU 57 -6.763 8.043 -2.688 420 HA LEU 57 HA LEU 57 -8.883 6.122 -1.983 421 1HB LEU 57 1HB LEU 57 -7.190 6.679 -0.230 422 2HB LEU 57 2HB LEU 57 -7.701 8.352 -0.310 423 HG LEU 57 HG LEU 57 -10.019 7.564 0.368 424 1HD1 LEU 57 1HD1 LEU 57 -8.576 5.017 1.022 425 2HD1 LEU 57 2HD1 LEU 57 -9.788 5.227 -0.251 426 3HD1 LEU 57 3HD1 LEU 57 -10.231 5.417 1.446 427 1HD2 LEU 57 1HD2 LEU 57 -9.447 7.356 2.736 428 2HD2 LEU 57 2HD2 LEU 57 -8.509 8.645 1.964 429 3HD2 LEU 57 3HD2 LEU 57 -7.761 7.080 2.313 430 H THR 58 H THR 58 -10.988 6.790 -1.939 431 HA THR 58 HA THR 58 -11.606 9.493 -2.833 432 HB THR 58 HB THR 58 -13.989 8.597 -2.928 433 HG1 THR 58 HG1 THR 58 -13.926 6.164 -3.057 434 1HG2 THR 58 1HG2 THR 58 -11.951 7.079 -4.576 435 2HG2 THR 58 2HG2 THR 58 -12.545 8.701 -4.922 436 3HG2 THR 58 3HG2 THR 58 -13.653 7.340 -4.982 437 H SER 59 H SER 59 -13.099 10.795 -1.589 438 HA SER 59 HA SER 59 -12.321 11.176 1.011 439 1HB SER 59 1HB SER 59 -15.038 11.897 -0.075 440 2HB SER 59 2HB SER 59 -14.146 12.718 1.212 441 HG SER 59 HG SER 59 -12.602 12.617 -0.970 442 H GLN 60 H GLN 60 -12.283 9.350 2.235 443 HA GLN 60 HA GLN 60 -12.974 8.021 3.921 444 1HB GLN 60 1HB GLN 60 -14.430 9.967 4.552 445 2HB GLN 60 2HB GLN 60 -15.720 9.255 3.582 446 1HG GLN 60 1HG GLN 60 -15.625 7.248 5.053 447 2HG GLN 60 2HG GLN 60 -14.447 8.077 6.060 448 1HE2 GLN 60 2HE2 GLN 60 -15.144 9.825 7.344 449 2HE2 GLN 60 1HE2 GLN 60 -16.811 10.122 7.653 450 H ASN 61 H ASN 61 -14.407 7.870 0.840 451 HA ASN 61 HA ASN 61 -16.354 5.850 1.332 452 1HB ASN 61 1HB ASN 61 -16.435 7.558 -0.521 453 2HB ASN 61 2HB ASN 61 -15.183 6.643 -1.352 454 1HD2 ASN 61 2HD2 ASN 61 -18.523 6.724 -0.347 455 2HD2 ASN 61 1HD2 ASN 61 -19.037 5.393 -1.327 456 H LYS 62 H LYS 62 -13.676 5.541 -1.010 457 HA LYS 62 HA LYS 62 -12.801 3.049 0.168 458 1HB LYS 62 1HB LYS 62 -13.260 1.659 -1.826 459 2HB LYS 62 2HB LYS 62 -14.759 2.277 -1.140 460 1HG LYS 62 1HG LYS 62 -14.844 3.998 -2.867 461 2HG LYS 62 2HG LYS 62 -13.348 3.377 -3.564 462 1HD LYS 62 1HD LYS 62 -14.389 1.259 -4.044 463 2HD LYS 62 2HD LYS 62 -15.880 1.762 -3.235 464 1HE LYS 62 1HE LYS 62 -16.102 1.916 -5.667 465 2HE LYS 62 2HE LYS 62 -16.192 3.522 -4.937 466 1HZ LYS 62 1HZ LYS 62 -14.817 3.550 -6.907 467 2HZ LYS 62 2HZ LYS 62 -13.808 2.344 -6.271 468 3HZ LYS 62 3HZ LYS 62 -13.874 3.870 -5.544 469 H LEU 63 H LEU 63 -11.315 1.996 -1.853 470 HA LEU 63 HA LEU 63 -9.700 4.214 -2.895 471 1HB LEU 63 1HB LEU 63 -7.601 3.130 -2.206 472 2HB LEU 63 2HB LEU 63 -8.565 3.647 -0.834 473 HG LEU 63 HG LEU 63 -8.519 0.780 -1.789 474 1HD1 LEU 63 1HD1 LEU 63 -6.243 1.428 -1.179 475 2HD1 LEU 63 2HD1 LEU 63 -6.926 0.326 0.015 476 3HD1 LEU 63 3HD1 LEU 63 -6.836 2.048 0.353 477 1HD2 LEU 63 1HD2 LEU 63 -10.438 1.376 -0.413 478 2HD2 LEU 63 2HD2 LEU 63 -9.356 2.047 0.817 479 3HD2 LEU 63 3HD2 LEU 63 -9.335 0.323 0.472 480 H ILE 64 H ILE 64 -8.083 3.453 -4.470 481 HA ILE 64 HA ILE 64 -8.774 0.997 -5.873 482 HB ILE 64 HB ILE 64 -9.003 2.290 -8.073 483 1HG1 ILE 64 1HG1 ILE 64 -10.158 4.580 -7.681 484 2HG1 ILE 64 2HG1 ILE 64 -9.354 4.555 -6.114 485 1HG2 ILE 64 1HG2 ILE 64 -11.229 2.527 -6.064 486 2HG2 ILE 64 2HG2 ILE 64 -10.859 1.099 -7.032 487 3HG2 ILE 64 3HG2 ILE 64 -11.428 2.580 -7.824 488 1HD1 ILE 64 1HD1 ILE 64 -7.958 4.390 -8.776 489 2HD1 ILE 64 2HD1 ILE 64 -7.209 4.535 -7.183 490 3HD1 ILE 64 3HD1 ILE 64 -8.165 5.862 -7.827 491 H LEU 65 H LEU 65 -7.351 0.803 -7.915 492 HA LEU 65 HA LEU 65 -4.723 2.040 -7.419 493 1HB LEU 65 1HB LEU 65 -4.798 -0.345 -6.746 494 2HB LEU 65 2HB LEU 65 -5.274 -0.780 -8.380 495 HG LEU 65 HG LEU 65 -2.870 -1.225 -7.808 496 1HD1 LEU 65 1HD1 LEU 65 -3.136 0.724 -10.051 497 2HD1 LEU 65 2HD1 LEU 65 -3.689 -0.941 -10.133 498 3HD1 LEU 65 3HD1 LEU 65 -1.981 -0.594 -9.882 499 1HD2 LEU 65 1HD2 LEU 65 -2.630 1.764 -7.835 500 2HD2 LEU 65 2HD2 LEU 65 -1.308 0.613 -7.727 501 3HD2 LEU 65 3HD2 LEU 65 -2.469 0.736 -6.418 502 H THR 66 H THR 66 -4.358 3.442 -9.036 503 HA THR 66 HA THR 66 -4.728 2.532 -11.817 504 HB THR 66 HB THR 66 -6.649 4.029 -11.148 505 HG1 THR 66 HG1 THR 66 -5.900 5.697 -12.929 506 1HG2 THR 66 1HG2 THR 66 -4.495 6.127 -10.887 507 2HG2 THR 66 2HG2 THR 66 -5.419 5.435 -9.560 508 3HG2 THR 66 3HG2 THR 66 -6.233 6.403 -10.792 509 H LYS 67 H LYS 67 -3.537 4.340 -13.259 510 HA LYS 67 HA LYS 67 -1.374 5.630 -11.825 511 1HB LYS 67 1HB LYS 67 0.413 4.755 -13.251 512 2HB LYS 67 2HB LYS 67 -0.396 3.459 -12.379 513 1HG LYS 67 1HG LYS 67 -0.377 2.414 -14.365 514 2HG LYS 67 2HG LYS 67 -1.766 3.451 -14.728 515 1HD LYS 67 1HD LYS 67 -0.294 5.068 -15.823 516 2HD LYS 67 2HD LYS 67 1.132 4.100 -15.386 517 1HE LYS 67 1HE LYS 67 0.546 3.674 -17.688 518 2HE LYS 67 2HE LYS 67 0.216 2.233 -16.743 519 1HZ LYS 67 1HZ LYS 67 -1.567 2.619 -18.259 520 2HZ LYS 67 2HZ LYS 67 -1.784 4.214 -17.715 521 3HZ LYS 67 3HZ LYS 67 -2.141 2.910 -16.690 522 1H MET 1 1H MET 1 36.085 -44.351 9.713 523 2H MET 1 2H MET 1 36.655 -43.428 8.419 524 3H MET 1 3H MET 1 36.461 -45.103 8.241 525 HA MET 1 HA MET 1 34.309 -43.113 8.662 526 1HB MET 1 1HB MET 1 34.976 -44.869 6.298 527 2HB MET 1 2HB MET 1 33.549 -43.848 6.405 528 1HG MET 1 1HG MET 1 34.965 -41.850 6.428 529 2HG MET 1 2HG MET 1 36.421 -42.858 6.413 530 1HE MET 1 1HE MET 1 33.044 -43.467 4.376 531 2HE MET 1 2HE MET 1 33.415 -42.605 2.889 532 3HE MET 1 3HE MET 1 33.227 -41.708 4.408 533 H MET 2 H MET 2 33.242 -44.111 10.345 534 HA MET 2 HA MET 2 31.550 -46.277 9.584 535 1HB MET 2 1HB MET 2 33.632 -47.479 10.305 536 2HB MET 2 2HB MET 2 33.420 -46.774 11.896 537 1HG MET 2 1HG MET 2 31.241 -47.882 12.087 538 2HG MET 2 2HG MET 2 31.511 -48.638 10.527 539 1HE MET 2 1HE MET 2 31.904 -51.691 12.918 540 2HE MET 2 2HE MET 2 31.215 -51.121 11.392 541 3HE MET 2 3HE MET 2 30.716 -50.385 12.915 542 H THR 3 H THR 3 29.690 -45.414 10.187 543 HA THR 3 HA THR 3 29.173 -44.949 12.980 544 HB THR 3 HB THR 3 30.112 -42.753 12.430 545 HG1 THR 3 HG1 THR 3 28.454 -41.573 13.274 546 1HG2 THR 3 1HG2 THR 3 28.958 -41.276 10.807 547 2HG2 THR 3 2HG2 THR 3 27.959 -42.638 10.289 548 3HG2 THR 3 3HG2 THR 3 29.704 -42.682 10.048 549 H ALA 4 H ALA 4 26.882 -44.440 13.364 550 HA ALA 4 HA ALA 4 25.082 -44.911 11.106 551 1HB ALA 4 1HB ALA 4 23.810 -46.615 12.305 552 2HB ALA 4 2HB ALA 4 24.914 -46.505 13.682 553 3HB ALA 4 3HB ALA 4 25.491 -47.131 12.127 554 H SER 5 H SER 5 25.973 -43.026 13.586 555 HA SER 5 HA SER 5 23.397 -42.408 14.707 556 1HB SER 5 1HB SER 5 24.733 -40.604 15.892 557 2HB SER 5 2HB SER 5 25.228 -42.254 16.219 558 HG SER 5 HG SER 5 27.045 -41.958 15.111 559 H ASP 6 H ASP 6 22.265 -40.467 14.445 560 HA ASP 6 HA ASP 6 22.926 -38.925 12.012 561 1HB ASP 6 1HB ASP 6 20.778 -39.945 11.760 562 2HB ASP 6 2HB ASP 6 20.274 -39.449 13.361 563 H ARG 7 H ARG 7 24.289 -37.396 12.846 564 HA ARG 7 HA ARG 7 23.255 -35.655 14.977 565 1HB ARG 7 1HB ARG 7 25.903 -35.592 13.507 566 2HB ARG 7 2HB ARG 7 25.455 -34.482 14.804 567 1HG ARG 7 1HG ARG 7 25.212 -36.458 16.323 568 2HG ARG 7 2HG ARG 7 25.859 -37.465 15.022 569 1HD ARG 7 1HD ARG 7 27.639 -36.855 16.602 570 2HD ARG 7 2HD ARG 7 27.922 -36.141 15.008 571 HE ARG 7 HE ARG 7 26.511 -34.259 16.535 572 1HH1 ARG 7 1HH1 ARG 7 29.649 -35.865 16.583 573 2HH1 ARG 7 2HH1 ARG 7 30.458 -34.542 17.353 574 1HH2 ARG 7 1HH2 ARG 7 27.589 -32.510 17.569 575 2HH2 ARG 7 2HH2 ARG 7 29.294 -32.606 17.865 576 H LEU 8 H LEU 8 22.748 -35.970 11.796 577 HA LEU 8 HA LEU 8 22.988 -33.162 11.032 578 1HB LEU 8 1HB LEU 8 22.096 -35.590 9.476 579 2HB LEU 8 2HB LEU 8 22.164 -33.973 8.809 580 HG LEU 8 HG LEU 8 24.632 -33.981 9.213 581 1HD1 LEU 8 1HD1 LEU 8 24.186 -36.881 9.873 582 2HD1 LEU 8 2HD1 LEU 8 24.751 -35.634 10.988 583 3HD1 LEU 8 3HD1 LEU 8 25.759 -36.117 9.620 584 1HD2 LEU 8 1HD2 LEU 8 23.704 -34.479 7.026 585 2HD2 LEU 8 2HD2 LEU 8 23.608 -36.197 7.452 586 3HD2 LEU 8 3HD2 LEU 8 25.178 -35.409 7.334 587 H GLY 9 H GLY 9 20.749 -35.100 12.549 588 1HA GLY 9 1HA GLY 9 18.349 -34.046 11.368 589 2HA GLY 9 2HA GLY 9 18.464 -35.025 12.823 590 H ALA 10 H ALA 10 20.535 -32.386 13.029 591 HA ALA 10 HA ALA 10 19.069 -31.150 15.109 592 1HB ALA 10 1HB ALA 10 21.533 -31.097 14.978 593 2HB ALA 10 2HB ALA 10 20.855 -29.478 15.103 594 3HB ALA 10 3HB ALA 10 21.420 -30.076 13.541 595 H ASP 11 H ASP 11 17.199 -30.107 14.761 596 HA ASP 11 HA ASP 11 17.031 -28.275 12.460 597 1HB ASP 11 1HB ASP 11 14.590 -28.571 12.559 598 2HB ASP 11 2HB ASP 11 15.417 -30.089 12.282 599 HA PRO 12 HA PRO 12 16.881 -25.538 16.134 600 1HB PRO 12 1HB PRO 12 18.800 -23.831 15.456 601 2HB PRO 12 2HB PRO 12 19.218 -25.474 15.957 602 1HG PRO 12 1HG PRO 12 19.046 -24.344 13.189 603 2HG PRO 12 2HG PRO 12 20.269 -25.413 13.887 604 1HD PRO 12 1HD PRO 12 18.119 -26.255 12.331 605 2HD PRO 12 2HD PRO 12 19.042 -27.275 13.444 606 H THR 13 H THR 13 15.984 -25.204 12.933 607 HA THR 13 HA THR 13 14.817 -23.688 11.713 608 HB THR 13 HB THR 13 13.941 -22.501 14.360 609 HG1 THR 13 HG1 THR 13 13.496 -24.680 14.482 610 1HG2 THR 13 1HG2 THR 13 13.278 -21.218 12.380 611 2HG2 THR 13 2HG2 THR 13 11.889 -21.964 13.143 612 3HG2 THR 13 3HG2 THR 13 12.565 -22.670 11.668 613 H GLN 14 H GLN 14 16.943 -22.881 11.094 614 HA GLN 14 HA GLN 14 17.417 -20.142 12.075 615 1HB GLN 14 1HB GLN 14 19.436 -22.229 11.211 616 2HB GLN 14 2HB GLN 14 19.823 -20.530 11.400 617 1HG GLN 14 1HG GLN 14 18.826 -22.376 13.560 618 2HG GLN 14 2HG GLN 14 20.482 -21.835 13.366 619 1HE2 GLN 14 2HE2 GLN 14 17.280 -21.001 14.449 620 2HE2 GLN 14 1HE2 GLN 14 17.699 -19.499 15.194 621 H ALA 15 H ALA 15 16.202 -19.155 10.508 622 HA ALA 15 HA ALA 15 17.467 -18.614 8.043 623 1HB ALA 15 1HB ALA 15 15.719 -19.425 6.557 624 2HB ALA 15 2HB ALA 15 14.869 -20.153 7.907 625 3HB ALA 15 3HB ALA 15 16.448 -20.755 7.430 626 H ALA 16 H ALA 16 17.219 -16.459 8.297 627 HA ALA 16 HA ALA 16 14.978 -15.276 9.571 628 1HB ALA 16 1HB ALA 16 15.963 -13.136 8.978 629 2HB ALA 16 2HB ALA 16 17.079 -13.939 7.876 630 3HB ALA 16 3HB ALA 16 17.197 -14.230 9.607 631 H SER 17 H SER 17 13.263 -16.213 8.374 632 HA SER 17 HA SER 17 12.406 -14.531 6.166 633 1HB SER 17 1HB SER 17 12.628 -17.552 5.878 634 2HB SER 17 2HB SER 17 11.835 -16.481 4.722 635 HG SER 17 HG SER 17 14.485 -17.055 5.069 636 H SER 18 H SER 18 11.377 -14.258 8.456 637 HA SER 18 HA SER 18 9.394 -16.000 9.418 638 1HB SER 18 1HB SER 18 9.296 -12.971 9.608 639 2HB SER 18 2HB SER 18 8.632 -14.138 10.746 640 HG SER 18 HG SER 18 10.857 -13.004 11.031 641 HA PRO 19 HA PRO 19 6.132 -15.520 6.435 642 1HB PRO 19 1HB PRO 19 3.937 -15.928 8.013 643 2HB PRO 19 2HB PRO 19 4.997 -17.239 7.491 644 1HG PRO 19 1HG PRO 19 4.947 -15.761 10.099 645 2HG PRO 19 2HG PRO 19 5.131 -17.507 9.812 646 1HD PRO 19 1HD PRO 19 7.235 -15.894 10.372 647 2HD PRO 19 2HD PRO 19 7.384 -17.294 9.275 648 H GLY 20 H GLY 20 6.829 -13.175 6.415 649 1HA GLY 20 1HA GLY 20 6.097 -11.001 6.178 650 2HA GLY 20 2HA GLY 20 4.587 -11.454 6.948 651 H GLY 21 H GLY 21 4.914 -12.052 9.375 652 1HA GLY 21 1HA GLY 21 5.388 -11.274 11.492 653 2HA GLY 21 2HA GLY 21 6.905 -10.682 10.856 654 H ALA 22 H ALA 22 6.525 -8.715 12.267 655 HA ALA 22 HA ALA 22 4.641 -6.885 10.918 656 1HB ALA 22 1HB ALA 22 5.747 -6.766 13.726 657 2HB ALA 22 2HB ALA 22 4.094 -7.206 13.285 658 3HB ALA 22 3HB ALA 22 4.677 -5.566 13.004 659 H ARG 23 H ARG 23 5.572 -5.261 9.783 660 HA ARG 23 HA ARG 23 8.325 -4.509 10.411 661 1HB ARG 23 1HB ARG 23 8.982 -4.546 8.038 662 2HB ARG 23 2HB ARG 23 8.552 -6.149 8.621 663 1HG ARG 23 1HG ARG 23 6.427 -6.029 7.510 664 2HG ARG 23 2HG ARG 23 6.740 -4.365 7.005 665 1HD ARG 23 1HD ARG 23 8.376 -6.757 6.196 666 2HD ARG 23 2HD ARG 23 7.117 -6.050 5.200 667 HE ARG 23 HE ARG 23 8.456 -4.083 4.960 668 1HH1 ARG 23 1HH1 ARG 23 10.103 -6.823 6.359 669 2HH1 ARG 23 2HH1 ARG 23 11.691 -6.207 6.003 670 1HH2 ARG 23 1HH2 ARG 23 10.547 -3.258 4.498 671 2HH2 ARG 23 2HH2 ARG 23 11.941 -4.201 4.931 672 H ALA 24 H ALA 24 8.969 -2.473 9.624 673 HA ALA 24 HA ALA 24 6.722 -0.610 9.310 674 1HB ALA 24 1HB ALA 24 8.212 -0.183 11.205 675 2HB ALA 24 2HB ALA 24 8.303 1.136 10.029 676 3HB ALA 24 3HB ALA 24 9.587 -0.074 10.111 677 H VAL 25 H VAL 25 6.284 -0.108 7.262 678 HA VAL 25 HA VAL 25 8.478 -0.018 5.310 679 HB VAL 25 HB VAL 25 6.681 -0.078 3.574 680 1HG1 VAL 25 1HG1 VAL 25 6.139 -2.449 3.867 681 2HG1 VAL 25 2HG1 VAL 25 6.611 -2.360 5.569 682 3HG1 VAL 25 3HG1 VAL 25 7.812 -2.127 4.296 683 1HG2 VAL 25 1HG2 VAL 25 4.860 -0.449 5.971 684 2HG2 VAL 25 2HG2 VAL 25 4.408 -0.782 4.297 685 3HG2 VAL 25 3HG2 VAL 25 4.827 0.859 4.766 686 H SER 26 H SER 26 8.993 1.852 4.287 687 HA SER 26 HA SER 26 8.000 4.221 5.647 688 1HB SER 26 1HB SER 26 10.039 5.321 4.684 689 2HB SER 26 2HB SER 26 10.388 3.926 5.720 690 HG SER 26 HG SER 26 10.351 2.727 3.595 691 H ILE 27 H ILE 27 7.240 6.039 4.700 692 HA ILE 27 HA ILE 27 6.606 5.963 1.826 693 HB ILE 27 HB ILE 27 5.058 6.941 4.197 694 1HG1 ILE 27 1HG1 ILE 27 3.144 6.084 2.949 695 2HG1 ILE 27 2HG1 ILE 27 4.140 5.889 1.500 696 1HG2 ILE 27 1HG2 ILE 27 4.802 8.269 1.495 697 2HG2 ILE 27 2HG2 ILE 27 5.428 9.013 2.963 698 3HG2 ILE 27 3HG2 ILE 27 3.740 8.526 2.878 699 1HD1 ILE 27 1HD1 ILE 27 3.648 3.782 2.671 700 2HD1 ILE 27 2HD1 ILE 27 4.553 4.371 4.056 701 3HD1 ILE 27 3HD1 ILE 27 5.370 4.111 2.524 702 H VAL 28 H VAL 28 7.669 7.397 0.641 703 HA VAL 28 HA VAL 28 9.005 9.642 1.971 704 HB VAL 28 HB VAL 28 10.427 9.766 -0.088 705 1HG1 VAL 28 1HG1 VAL 28 11.789 7.813 0.494 706 2HG1 VAL 28 2HG1 VAL 28 10.432 7.145 1.409 707 3HG1 VAL 28 3HG1 VAL 28 11.190 8.653 1.933 708 1HG2 VAL 28 1HG2 VAL 28 8.935 8.658 -1.686 709 2HG2 VAL 28 2HG2 VAL 28 9.041 7.139 -0.783 710 3HG2 VAL 28 3HG2 VAL 28 10.468 7.786 -1.594 711 H GLY 29 H GLY 29 7.467 11.204 2.032 712 1HA GLY 29 1HA GLY 29 6.461 13.104 1.143 713 2HA GLY 29 2HA GLY 29 6.808 12.515 -0.475 714 H ASN 30 H ASN 30 5.556 10.587 -1.147 715 HA ASN 30 HA ASN 30 3.261 9.764 0.361 716 1HB ASN 30 1HB ASN 30 1.530 10.390 -1.188 717 2HB ASN 30 2HB ASN 30 2.406 11.851 -0.770 718 1HD2 ASN 30 2HD2 ASN 30 0.739 11.089 -3.083 719 2HD2 ASN 30 1HD2 ASN 30 1.710 11.441 -4.480 720 H GLN 31 H GLN 31 5.772 8.830 -0.994 721 HA GLN 31 HA GLN 31 4.627 6.889 -2.915 722 1HB GLN 31 1HB GLN 31 6.151 8.375 -4.063 723 2HB GLN 31 2HB GLN 31 7.377 8.120 -2.829 724 1HG GLN 31 1HG GLN 31 7.620 5.797 -3.500 725 2HG GLN 31 2HG GLN 31 6.331 6.007 -4.689 726 1HE2 GLN 31 2HE2 GLN 31 9.169 5.217 -4.984 727 2HE2 GLN 31 1HE2 GLN 31 9.849 6.331 -6.118 728 H ILE 32 H ILE 32 4.691 4.819 -2.281 729 HA ILE 32 HA ILE 32 6.881 3.936 -0.535 730 HB ILE 32 HB ILE 32 4.540 3.640 0.235 731 1HG1 ILE 32 1HG1 ILE 32 6.051 1.052 -0.235 732 2HG1 ILE 32 2HG1 ILE 32 6.330 2.163 1.100 733 1HG2 ILE 32 1HG2 ILE 32 3.526 3.215 -1.963 734 2HG2 ILE 32 2HG2 ILE 32 3.123 1.950 -0.809 735 3HG2 ILE 32 3HG2 ILE 32 4.343 1.649 -2.034 736 1HD1 ILE 32 1HD1 ILE 32 3.825 0.551 0.600 737 2HD1 ILE 32 2HD1 ILE 32 4.061 1.715 1.907 738 3HD1 ILE 32 3HD1 ILE 32 5.049 0.258 1.835 739 H ASP 33 H ASP 33 7.848 1.843 -0.897 740 HA ASP 33 HA ASP 33 8.127 1.303 -3.791 741 1HB ASP 33 1HB ASP 33 10.153 2.106 -2.548 742 2HB ASP 33 2HB ASP 33 10.007 0.692 -1.483 743 H SER 34 H SER 34 7.720 -0.689 -4.601 744 HA SER 34 HA SER 34 6.017 -2.441 -3.300 745 1HB SER 34 1HB SER 34 6.260 -2.287 -5.765 746 2HB SER 34 2HB SER 34 7.833 -3.066 -5.645 747 HG SER 34 HG SER 34 6.621 -4.846 -4.596 748 H ARG 35 H ARG 35 9.483 -2.335 -3.140 749 HA ARG 35 HA ARG 35 9.819 -5.084 -2.320 750 1HB ARG 35 1HB ARG 35 11.682 -2.724 -1.998 751 2HB ARG 35 2HB ARG 35 12.104 -4.382 -1.599 752 1HG ARG 35 1HG ARG 35 11.346 -3.379 -4.336 753 2HG ARG 35 2HG ARG 35 12.989 -3.699 -3.771 754 1HD ARG 35 1HD ARG 35 12.312 -6.066 -3.378 755 2HD ARG 35 2HD ARG 35 10.747 -5.699 -4.116 756 HE ARG 35 HE ARG 35 12.495 -4.927 -6.023 757 1HH1 ARG 35 1HH1 ARG 35 12.095 -7.891 -4.208 758 2HH1 ARG 35 2HH1 ARG 35 12.799 -8.878 -5.443 759 1HH2 ARG 35 1HH2 ARG 35 13.437 -6.250 -7.637 760 2HH2 ARG 35 2HH2 ARG 35 13.528 -7.974 -7.382 761 H GLU 36 H GLU 36 9.358 -2.006 -0.686 762 HA GLU 36 HA GLU 36 9.768 -2.652 1.961 763 1HB GLU 36 1HB GLU 36 7.453 -1.018 0.859 764 2HB GLU 36 2HB GLU 36 8.057 -0.965 2.501 765 1HG GLU 36 1HG GLU 36 9.732 -0.212 0.108 766 2HG GLU 36 2HG GLU 36 8.750 0.929 1.022 767 H LEU 37 H LEU 37 6.818 -3.114 0.059 768 HA LEU 37 HA LEU 37 5.385 -4.354 2.221 769 1HB LEU 37 1HB LEU 37 4.719 -3.989 -0.701 770 2HB LEU 37 2HB LEU 37 3.612 -4.680 0.468 771 HG LEU 37 HG LEU 37 4.702 -1.856 0.578 772 1HD1 LEU 37 1HD1 LEU 37 1.971 -2.864 -0.247 773 2HD1 LEU 37 2HD1 LEU 37 3.169 -2.116 -1.304 774 3HD1 LEU 37 3HD1 LEU 37 2.412 -1.181 -0.018 775 1HD2 LEU 37 1HD2 LEU 37 2.594 -3.219 2.271 776 2HD2 LEU 37 2HD2 LEU 37 3.039 -1.513 2.328 777 3HD2 LEU 37 3HD2 LEU 37 4.218 -2.742 2.796 778 H PHE 38 H PHE 38 6.615 -5.494 -0.935 779 HA PHE 38 HA PHE 38 5.834 -8.214 -0.203 780 1HB PHE 38 1HB PHE 38 6.651 -7.026 -2.857 781 2HB PHE 38 2HB PHE 38 6.130 -8.688 -2.620 782 HD1 PHE 38 HD2 PHE 38 3.752 -9.083 -1.712 783 HD2 PHE 38 HD1 PHE 38 5.081 -5.346 -3.303 784 HE1 PHE 38 HE2 PHE 38 1.411 -8.381 -2.047 785 HE2 PHE 38 HE1 PHE 38 2.745 -4.657 -3.640 786 HZ PHE 38 HZ PHE 38 0.915 -6.167 -3.016 787 H THR 39 H THR 39 8.231 -6.951 0.908 788 HA THR 39 HA THR 39 10.607 -7.898 -0.173 789 HB THR 39 HB THR 39 10.736 -6.412 1.671 790 HG1 THR 39 HG1 THR 39 12.519 -7.616 1.930 791 1HG2 THR 39 1HG2 THR 39 8.627 -6.958 2.798 792 2HG2 THR 39 2HG2 THR 39 9.959 -7.008 3.937 793 3HG2 THR 39 3HG2 THR 39 9.296 -8.509 3.317 794 H VAL 40 H VAL 40 8.372 -9.560 2.044 795 HA VAL 40 HA VAL 40 9.290 -12.128 1.062 796 HB VAL 40 HB VAL 40 9.515 -13.039 3.428 797 1HG1 VAL 40 1HG1 VAL 40 11.827 -12.344 3.714 798 2HG1 VAL 40 2HG1 VAL 40 11.577 -10.962 2.652 799 3HG1 VAL 40 3HG1 VAL 40 11.491 -12.594 2.011 800 1HG2 VAL 40 1HG2 VAL 40 10.021 -11.461 5.240 801 2HG2 VAL 40 2HG2 VAL 40 8.398 -11.182 4.605 802 3HG2 VAL 40 3HG2 VAL 40 9.715 -10.101 4.161 803 H ASP 41 H ASP 41 7.026 -11.737 0.192 804 HA ASP 41 HA ASP 41 5.051 -13.164 1.385 805 1HB ASP 41 1HB ASP 41 5.109 -10.998 2.946 806 2HB ASP 41 2HB ASP 41 4.230 -10.265 1.595 807 H ARG 42 H ARG 42 2.954 -12.839 0.071 808 HA ARG 42 HA ARG 42 3.700 -11.775 -2.571 809 1HB ARG 42 1HB ARG 42 3.599 -14.285 -2.438 810 2HB ARG 42 2HB ARG 42 1.892 -14.150 -2.037 811 1HG ARG 42 1HG ARG 42 2.138 -14.673 -4.354 812 2HG ARG 42 2HG ARG 42 1.472 -13.057 -4.203 813 1HD ARG 42 1HD ARG 42 3.113 -12.921 -5.890 814 2HD ARG 42 2HD ARG 42 3.828 -12.210 -4.450 815 HE ARG 42 HE ARG 42 4.464 -14.995 -4.740 816 1HH1 ARG 42 1HH1 ARG 42 5.400 -11.743 -5.617 817 2HH1 ARG 42 2HH1 ARG 42 7.018 -12.190 -6.084 818 1HH2 ARG 42 1HH2 ARG 42 6.568 -15.588 -5.331 819 2HH2 ARG 42 2HH2 ARG 42 7.678 -14.391 -5.922 820 H GLU 43 H GLU 43 1.528 -11.471 -0.007 821 HA GLU 43 HA GLU 43 -0.255 -9.832 -1.632 822 1HB GLU 43 1HB GLU 43 -1.307 -12.047 -1.734 823 2HB GLU 43 2HB GLU 43 -1.263 -12.171 0.024 824 1HG GLU 43 1HG GLU 43 -2.804 -10.301 0.218 825 2HG GLU 43 2HG GLU 43 -2.814 -10.109 -1.537 826 H ILE 44 H ILE 44 -1.122 -8.173 -0.533 827 HA ILE 44 HA ILE 44 -0.568 -7.960 2.349 828 HB ILE 44 HB ILE 44 -0.406 -5.771 0.269 829 1HG1 ILE 44 1HG1 ILE 44 1.563 -7.249 0.268 830 2HG1 ILE 44 2HG1 ILE 44 1.992 -5.663 0.880 831 1HG2 ILE 44 1HG2 ILE 44 -1.350 -4.912 2.354 832 2HG2 ILE 44 2HG2 ILE 44 0.280 -4.283 2.096 833 3HG2 ILE 44 3HG2 ILE 44 0.009 -5.585 3.255 834 1HD1 ILE 44 1HD1 ILE 44 3.061 -7.409 2.161 835 2HD1 ILE 44 2HD1 ILE 44 1.487 -8.110 2.545 836 3HD1 ILE 44 3HD1 ILE 44 1.909 -6.512 3.143 837 H VAL 45 H VAL 45 -2.205 -7.125 3.605 838 HA VAL 45 HA VAL 45 -4.802 -6.847 2.269 839 HB VAL 45 HB VAL 45 -4.219 -7.351 5.204 840 1HG1 VAL 45 1HG1 VAL 45 -6.339 -6.170 4.896 841 2HG1 VAL 45 2HG1 VAL 45 -6.627 -7.846 5.379 842 3HG1 VAL 45 3HG1 VAL 45 -6.837 -7.359 3.696 843 1HG2 VAL 45 1HG2 VAL 45 -3.552 -9.246 3.862 844 2HG2 VAL 45 2HG2 VAL 45 -5.130 -9.258 3.070 845 3HG2 VAL 45 3HG2 VAL 45 -5.007 -9.633 4.790 846 H ILE 46 H ILE 46 -6.100 -5.041 2.735 847 HA ILE 46 HA ILE 46 -4.822 -2.775 4.098 848 HB ILE 46 HB ILE 46 -6.225 -2.574 1.428 849 1HG1 ILE 46 1HG1 ILE 46 -3.250 -2.347 2.086 850 2HG1 ILE 46 2HG1 ILE 46 -4.019 -3.667 1.212 851 1HG2 ILE 46 1HG2 ILE 46 -5.489 -0.244 1.470 852 2HG2 ILE 46 2HG2 ILE 46 -4.768 -0.478 3.057 853 3HG2 ILE 46 3HG2 ILE 46 -6.511 -0.602 2.847 854 1HD1 ILE 46 1HD1 ILE 46 -2.896 -2.191 -0.316 855 2HD1 ILE 46 2HD1 ILE 46 -3.808 -0.814 0.294 856 3HD1 ILE 46 3HD1 ILE 46 -4.635 -2.112 -0.568 857 H ALA 47 H ALA 47 -6.228 -2.457 5.814 858 HA ALA 47 HA ALA 47 -9.048 -3.024 5.494 859 1HB ALA 47 1HB ALA 47 -7.460 -2.085 7.903 860 2HB ALA 47 2HB ALA 47 -7.881 -3.759 7.521 861 3HB ALA 47 3HB ALA 47 -9.154 -2.604 7.910 862 H HIS 48 H HIS 48 -10.619 -1.516 5.313 863 HA HIS 48 HA HIS 48 -10.080 1.287 5.917 864 1HB HIS 48 1HB HIS 48 -9.417 1.210 3.623 865 2HB HIS 48 2HB HIS 48 -10.860 0.339 3.154 866 HD1 HIS 48 HD1 HIS 48 -9.731 3.801 4.169 867 HD2 HIS 48 HD2 HIS 48 -13.106 1.871 2.705 868 HE1 HIS 48 HE1 HIS 48 -11.312 5.636 3.463 869 HE2 HIS 48 HE2 HIS 48 -13.415 4.433 2.809 870 H GLY 49 H GLY 49 -11.694 1.338 7.491 871 1HA GLY 49 1HA GLY 49 -13.861 2.092 7.958 872 2HA GLY 49 2HA GLY 49 -14.391 1.493 6.395 873 H ASP 50 H ASP 50 -14.908 -0.690 6.167 874 HA ASP 50 HA ASP 50 -14.926 -2.340 8.611 875 1HB ASP 50 1HB ASP 50 -17.183 -1.443 8.376 876 2HB ASP 50 2HB ASP 50 -17.243 -1.995 6.703 877 H ASP 51 H ASP 51 -14.335 -1.995 5.291 878 HA ASP 51 HA ASP 51 -14.484 -4.873 4.735 879 1HB ASP 51 1HB ASP 51 -14.232 -2.458 2.942 880 2HB ASP 51 2HB ASP 51 -14.044 -4.105 2.355 881 H ARG 52 H ARG 52 -12.725 -5.668 3.200 882 HA ARG 52 HA ARG 52 -10.096 -4.664 4.050 883 1HB ARG 52 1HB ARG 52 -10.940 -7.582 3.968 884 2HB ARG 52 2HB ARG 52 -9.285 -7.011 4.187 885 1HG ARG 52 1HG ARG 52 -9.908 -5.965 6.291 886 2HG ARG 52 2HG ARG 52 -11.577 -6.493 6.076 887 1HD ARG 52 1HD ARG 52 -10.919 -8.788 6.136 888 2HD ARG 52 2HD ARG 52 -9.215 -8.361 6.164 889 HE ARG 52 HE ARG 52 -10.891 -7.416 8.364 890 1HH1 ARG 52 1HH1 ARG 52 -8.521 -9.710 7.199 891 2HH1 ARG 52 2HH1 ARG 52 -8.059 -10.233 8.789 892 1HH2 ARG 52 1HH2 ARG 52 -10.286 -8.111 10.450 893 2HH2 ARG 52 2HH2 ARG 52 -9.048 -9.326 10.631 894 H TYR 53 H TYR 53 -8.751 -4.389 2.427 895 HA TYR 53 HA TYR 53 -9.465 -5.428 -0.236 896 1HB TYR 53 1HB TYR 53 -7.746 -3.075 0.595 897 2HB TYR 53 2HB TYR 53 -8.006 -3.592 -1.068 898 HD1 TYR 53 HD2 TYR 53 -9.833 -2.453 1.954 899 HD2 TYR 53 HD1 TYR 53 -9.816 -2.693 -2.289 900 HE1 TYR 53 HE2 TYR 53 -11.867 -1.070 1.874 901 HE2 TYR 53 HE1 TYR 53 -11.813 -1.302 -2.388 902 HH TYR 53 HH TYR 53 -13.729 -0.696 -0.915 903 H ARG 54 H ARG 54 -7.607 -6.089 -1.603 904 HA ARG 54 HA ARG 54 -5.305 -6.997 -0.038 905 1HB ARG 54 1HB ARG 54 -6.952 -8.722 -1.899 906 2HB ARG 54 2HB ARG 54 -5.378 -9.188 -1.280 907 1HG ARG 54 1HG ARG 54 -6.361 -8.854 1.059 908 2HG ARG 54 2HG ARG 54 -7.925 -8.782 0.266 909 1HD ARG 54 1HD ARG 54 -5.996 -11.073 -0.025 910 2HD ARG 54 2HD ARG 54 -7.282 -11.028 1.159 911 HE ARG 54 HE ARG 54 -8.658 -10.652 -1.112 912 1HH1 ARG 54 1HH1 ARG 54 -6.096 -12.896 -0.357 913 2HH1 ARG 54 2HH1 ARG 54 -6.788 -14.221 -1.252 914 1HH2 ARG 54 1HH2 ARG 54 -9.593 -12.366 -2.313 915 2HH2 ARG 54 2HH2 ARG 54 -8.787 -13.905 -2.380 916 H LEU 55 H LEU 55 -3.716 -5.905 -0.840 917 HA LEU 55 HA LEU 55 -3.390 -5.446 -3.672 918 1HB LEU 55 1HB LEU 55 -2.727 -3.742 -1.947 919 2HB LEU 55 2HB LEU 55 -1.500 -4.868 -1.395 920 HG LEU 55 HG LEU 55 -0.413 -4.733 -3.610 921 1HD1 LEU 55 1HD1 LEU 55 -2.448 -2.566 -4.153 922 2HD1 LEU 55 2HD1 LEU 55 -2.345 -4.121 -4.964 923 3HD1 LEU 55 3HD1 LEU 55 -1.047 -2.947 -5.151 924 1HD2 LEU 55 1HD2 LEU 55 0.512 -2.476 -3.292 925 2HD2 LEU 55 2HD2 LEU 55 0.364 -3.341 -1.766 926 3HD2 LEU 55 3HD2 LEU 55 -0.804 -2.094 -2.192 927 H ARG 56 H ARG 56 -2.698 -7.077 -4.899 928 HA ARG 56 HA ARG 56 -0.963 -9.115 -3.647 929 1HB ARG 56 1HB ARG 56 -3.210 -9.964 -4.218 930 2HB ARG 56 2HB ARG 56 -2.934 -9.487 -5.907 931 1HG ARG 56 1HG ARG 56 -1.090 -11.095 -6.064 932 2HG ARG 56 2HG ARG 56 -1.339 -11.572 -4.385 933 1HD ARG 56 1HD ARG 56 -3.346 -11.852 -6.631 934 2HD ARG 56 2HD ARG 56 -2.394 -13.146 -5.902 935 HE ARG 56 HE ARG 56 -3.716 -12.054 -3.805 936 1HH1 ARG 56 1HH1 ARG 56 -4.716 -13.458 -6.833 937 2HH1 ARG 56 2HH1 ARG 56 -6.282 -13.934 -6.249 938 1HH2 ARG 56 1HH2 ARG 56 -5.729 -12.715 -3.002 939 2HH2 ARG 56 2HH2 ARG 56 -6.830 -13.532 -4.048 940 H LEU 57 H LEU 57 0.866 -9.762 -4.652 941 HA LEU 57 HA LEU 57 1.618 -8.229 -7.083 942 1HB LEU 57 1HB LEU 57 3.000 -7.898 -5.023 943 2HB LEU 57 2HB LEU 57 3.421 -9.598 -5.056 944 HG LEU 57 HG LEU 57 4.416 -9.154 -7.376 945 1HD1 LEU 57 1HD1 LEU 57 4.148 -6.295 -6.464 946 2HD1 LEU 57 2HD1 LEU 57 3.288 -7.048 -7.812 947 3HD1 LEU 57 3HD1 LEU 57 5.038 -6.857 -7.881 948 1HD2 LEU 57 1HD2 LEU 57 5.680 -7.769 -5.018 949 2HD2 LEU 57 2HD2 LEU 57 6.523 -8.281 -6.471 950 3HD2 LEU 57 3HD2 LEU 57 5.801 -9.483 -5.395 951 H THR 58 H THR 58 2.349 -9.285 -8.857 952 HA THR 58 HA THR 58 2.205 -12.197 -8.878 953 HB THR 58 HB THR 58 2.521 -11.884 -11.391 954 HG1 THR 58 HG1 THR 58 1.824 -9.188 -10.882 955 1HG2 THR 58 1HG2 THR 58 0.118 -10.531 -10.142 956 2HG2 THR 58 2HG2 THR 58 0.299 -12.263 -10.457 957 3HG2 THR 58 3HG2 THR 58 0.231 -11.130 -11.796 958 H SER 59 H SER 59 4.041 -13.430 -9.686 959 HA SER 59 HA SER 59 6.393 -12.872 -8.398 960 1HB SER 59 1HB SER 59 7.403 -14.547 -10.136 961 2HB SER 59 2HB SER 59 6.074 -15.102 -9.095 962 HG SER 59 HG SER 59 5.862 -14.183 -11.770 963 H GLN 60 H GLN 60 7.158 -10.823 -8.659 964 HA GLN 60 HA GLN 60 8.619 -9.273 -9.396 965 1HB GLN 60 1HB GLN 60 9.153 -11.215 -11.661 966 2HB GLN 60 2HB GLN 60 10.134 -9.808 -11.266 967 1HG GLN 60 1HG GLN 60 10.786 -10.777 -9.159 968 2HG GLN 60 2HG GLN 60 9.673 -12.119 -9.390 969 1HE2 GLN 60 2HE2 GLN 60 12.573 -12.150 -8.995 970 2HE2 GLN 60 1HE2 GLN 60 13.232 -12.968 -10.378 971 H ASN 61 H ASN 61 6.016 -10.326 -11.338 972 HA ASN 61 HA ASN 61 6.485 -8.695 -13.633 973 1HB ASN 61 1HB ASN 61 5.174 -10.764 -13.762 974 2HB ASN 61 2HB ASN 61 3.929 -10.054 -12.730 975 1HD2 ASN 61 2HD2 ASN 61 2.348 -10.308 -14.336 976 2HD2 ASN 61 1HD2 ASN 61 2.312 -9.291 -15.745 977 H LYS 62 H LYS 62 3.560 -8.461 -11.598 978 HA LYS 62 HA LYS 62 3.906 -5.606 -11.247 979 1HB LYS 62 1HB LYS 62 1.690 -5.088 -12.376 980 2HB LYS 62 2HB LYS 62 2.975 -5.559 -13.483 981 1HG LYS 62 1HG LYS 62 1.084 -6.641 -14.278 982 2HG LYS 62 2HG LYS 62 1.943 -7.897 -13.405 983 1HD LYS 62 1HD LYS 62 0.430 -7.768 -11.563 984 2HD LYS 62 2HD LYS 62 -0.289 -6.287 -12.200 985 1HE LYS 62 1HE LYS 62 -0.400 -8.990 -13.547 986 2HE LYS 62 2HE LYS 62 -1.683 -8.339 -12.538 987 1HZ LYS 62 1HZ LYS 62 -1.993 -6.532 -14.098 988 2HZ LYS 62 2HZ LYS 62 -2.084 -8.011 -14.918 989 3HZ LYS 62 3HZ LYS 62 -0.688 -7.072 -15.038 990 H LEU 63 H LEU 63 1.407 -4.860 -10.461 991 HA LEU 63 HA LEU 63 0.529 -6.871 -8.531 992 1HB LEU 63 1HB LEU 63 0.434 -5.197 -6.714 993 2HB LEU 63 2HB LEU 63 2.076 -5.582 -7.230 994 HG LEU 63 HG LEU 63 0.631 -3.088 -8.181 995 1HD1 LEU 63 1HD1 LEU 63 0.797 -3.128 -5.684 996 2HD1 LEU 63 2HD1 LEU 63 1.724 -1.838 -6.433 997 3HD1 LEU 63 3HD1 LEU 63 2.557 -3.271 -5.839 998 1HD2 LEU 63 1HD2 LEU 63 3.572 -3.822 -8.055 999 2HD2 LEU 63 2HD2 LEU 63 2.912 -2.306 -8.646 1000 3HD2 LEU 63 3HD2 LEU 63 2.567 -3.795 -9.518 1001 H ILE 64 H ILE 64 -1.522 -6.226 -7.467 1002 HA ILE 64 HA ILE 64 -3.235 -4.481 -9.033 1003 HB ILE 64 HB ILE 64 -4.966 -6.340 -9.321 1004 1HG1 ILE 64 1HG1 ILE 64 -3.798 -8.653 -9.675 1005 2HG1 ILE 64 2HG1 ILE 64 -2.549 -8.006 -8.613 1006 1HG2 ILE 64 1HG2 ILE 64 -2.400 -6.461 -10.944 1007 2HG2 ILE 64 2HG2 ILE 64 -3.772 -5.390 -11.221 1008 3HG2 ILE 64 3HG2 ILE 64 -3.969 -7.122 -11.451 1009 1HD1 ILE 64 1HD1 ILE 64 -4.228 -9.423 -7.468 1010 2HD1 ILE 64 2HD1 ILE 64 -5.455 -8.236 -7.867 1011 3HD1 ILE 64 3HD1 ILE 64 -4.121 -7.789 -6.804 1012 H LEU 65 H LEU 65 -5.518 -4.541 -8.116 1013 HA LEU 65 HA LEU 65 -5.430 -4.989 -5.192 1014 1HB LEU 65 1HB LEU 65 -5.339 -2.579 -5.714 1015 2HB LEU 65 2HB LEU 65 -6.812 -2.726 -6.668 1016 HG LEU 65 HG LEU 65 -8.036 -3.365 -4.593 1017 1HD1 LEU 65 1HD1 LEU 65 -6.228 -4.304 -3.292 1018 2HD1 LEU 65 2HD1 LEU 65 -6.954 -2.952 -2.408 1019 3HD1 LEU 65 3HD1 LEU 65 -5.419 -2.737 -3.237 1020 1HD2 LEU 65 1HD2 LEU 65 -8.025 -1.027 -5.365 1021 2HD2 LEU 65 2HD2 LEU 65 -6.578 -0.725 -4.398 1022 3HD2 LEU 65 3HD2 LEU 65 -8.108 -1.131 -3.602 1023 H THR 66 H THR 66 -6.713 -6.616 -4.751 1024 HA THR 66 HA THR 66 -9.418 -6.660 -5.870 1025 HB THR 66 HB THR 66 -8.059 -8.330 -7.112 1026 HG1 THR 66 HG1 THR 66 -9.517 -10.206 -6.059 1027 1HG2 THR 66 1HG2 THR 66 -7.236 -10.328 -5.977 1028 2HG2 THR 66 2HG2 THR 66 -7.764 -9.697 -4.425 1029 3HG2 THR 66 3HG2 THR 66 -6.480 -8.893 -5.305 1030 H LYS 67 H LYS 67 -10.839 -8.177 -4.575 1031 HA LYS 67 HA LYS 67 -10.005 -8.344 -1.759 1032 1HB LYS 67 1HB LYS 67 -12.751 -7.545 -2.745 1033 2HB LYS 67 2HB LYS 67 -12.289 -7.765 -1.077 1034 1HG LYS 67 1HG LYS 67 -12.175 -5.485 -1.202 1035 2HG LYS 67 2HG LYS 67 -10.515 -5.919 -1.615 1036 1HD LYS 67 1HD LYS 67 -11.328 -4.216 -3.140 1037 2HD LYS 67 2HD LYS 67 -11.083 -5.724 -4.023 1038 1HE LYS 67 1HE LYS 67 -13.449 -6.175 -4.013 1039 2HE LYS 67 2HE LYS 67 -13.752 -4.812 -2.937 1040 1HZ LYS 67 1HZ LYS 67 -13.071 -3.305 -4.660 1041 2HZ LYS 67 2HZ LYS 67 -14.277 -4.323 -5.241 1042 3HZ LYS 67 3HZ LYS 67 -12.676 -4.581 -5.688 Start of MODEL 9 1 1H MET 1 1H MET 1 10.856 58.691 -18.035 2 2H MET 1 2H MET 1 10.129 57.411 -17.196 3 3H MET 1 3H MET 1 9.644 58.996 -16.875 4 HA MET 1 HA MET 1 8.760 59.222 -19.074 5 1HB MET 1 1HB MET 1 9.553 56.320 -19.383 6 2HB MET 1 2HB MET 1 8.572 57.219 -20.545 7 1HG MET 1 1HG MET 1 10.818 57.113 -21.355 8 2HG MET 1 2HG MET 1 10.497 58.766 -20.851 9 1HE MET 1 1HE MET 1 12.422 55.440 -20.083 10 2HE MET 1 2HE MET 1 11.345 55.569 -18.698 11 3HE MET 1 3HE MET 1 13.079 55.770 -18.487 12 H MET 2 H MET 2 6.552 58.923 -19.265 13 HA MET 2 HA MET 2 5.323 57.672 -16.934 14 1HB MET 2 1HB MET 2 4.177 59.464 -19.093 15 2HB MET 2 2HB MET 2 3.277 58.868 -17.708 16 1HG MET 2 1HG MET 2 4.655 60.118 -16.202 17 2HG MET 2 2HG MET 2 5.763 60.558 -17.492 18 1HE MET 2 1HE MET 2 1.827 60.466 -17.667 19 2HE MET 2 2HE MET 2 1.412 62.096 -17.170 20 3HE MET 2 3HE MET 2 2.148 60.999 -16.024 21 H THR 3 H THR 3 4.363 55.729 -17.025 22 HA THR 3 HA THR 3 3.168 54.793 -19.527 23 HB THR 3 HB THR 3 5.477 53.918 -19.580 24 HG1 THR 3 HG1 THR 3 4.769 52.062 -20.316 25 1HG2 THR 3 1HG2 THR 3 6.219 52.281 -17.899 26 2HG2 THR 3 2HG2 THR 3 4.772 52.593 -16.954 27 3HG2 THR 3 3HG2 THR 3 5.958 53.869 -17.198 28 H ALA 4 H ALA 4 1.316 53.649 -19.185 29 HA ALA 4 HA ALA 4 0.339 53.350 -16.482 30 1HB ALA 4 1HB ALA 4 -1.156 54.091 -18.302 31 2HB ALA 4 2HB ALA 4 -1.730 52.609 -17.533 32 3HB ALA 4 3HB ALA 4 -0.938 52.536 -19.105 33 H SER 5 H SER 5 0.834 51.638 -15.285 34 HA SER 5 HA SER 5 0.803 48.968 -16.468 35 1HB SER 5 1HB SER 5 3.197 50.010 -14.923 36 2HB SER 5 2HB SER 5 2.995 48.375 -15.547 37 HG SER 5 HG SER 5 2.836 49.414 -17.673 38 H ASP 6 H ASP 6 0.396 47.328 -14.932 39 HA ASP 6 HA ASP 6 -1.131 48.084 -12.708 40 1HB ASP 6 1HB ASP 6 -1.058 45.688 -12.039 41 2HB ASP 6 2HB ASP 6 -1.471 45.915 -13.734 42 H ARG 7 H ARG 7 -0.405 49.110 -10.989 43 HA ARG 7 HA ARG 7 2.403 48.870 -10.220 44 1HB ARG 7 1HB ARG 7 1.262 51.100 -10.506 45 2HB ARG 7 2HB ARG 7 0.272 50.720 -9.099 46 1HG ARG 7 1HG ARG 7 2.274 50.610 -7.707 47 2HG ARG 7 2HG ARG 7 3.289 50.965 -9.100 48 1HD ARG 7 1HD ARG 7 2.886 52.958 -7.742 49 2HD ARG 7 2HD ARG 7 2.203 53.128 -9.355 50 HE ARG 7 HE ARG 7 0.540 52.365 -7.042 51 1HH1 ARG 7 1HH1 ARG 7 1.154 54.472 -9.790 52 2HH1 ARG 7 2HH1 ARG 7 -0.389 55.273 -9.662 53 1HH2 ARG 7 1HH2 ARG 7 -1.448 53.402 -6.880 54 2HH2 ARG 7 2HH2 ARG 7 -1.854 54.657 -8.004 55 H LEU 8 H LEU 8 2.885 47.308 -8.833 56 HA LEU 8 HA LEU 8 2.850 45.798 -7.159 57 1HB LEU 8 1HB LEU 8 1.100 47.922 -5.954 58 2HB LEU 8 2HB LEU 8 1.402 46.423 -5.107 59 HG LEU 8 HG LEU 8 3.812 46.931 -5.101 60 1HD1 LEU 8 1HD1 LEU 8 4.607 49.158 -5.717 61 2HD1 LEU 8 2HD1 LEU 8 3.014 49.539 -6.368 62 3HD1 LEU 8 3HD1 LEU 8 3.989 48.268 -7.114 63 1HD2 LEU 8 1HD2 LEU 8 2.080 49.121 -3.961 64 2HD2 LEU 8 2HD2 LEU 8 3.738 48.769 -3.465 65 3HD2 LEU 8 3HD2 LEU 8 2.451 47.579 -3.192 66 H GLY 9 H GLY 9 1.934 44.210 -8.415 67 1HA GLY 9 1HA GLY 9 -0.757 43.404 -7.569 68 2HA GLY 9 2HA GLY 9 -0.437 43.537 -9.296 69 H ALA 10 H ALA 10 -0.502 41.430 -6.778 70 HA ALA 10 HA ALA 10 1.392 39.598 -8.108 71 1HB ALA 10 1HB ALA 10 1.877 38.598 -5.920 72 2HB ALA 10 2HB ALA 10 0.777 39.739 -5.141 73 3HB ALA 10 3HB ALA 10 2.248 40.321 -5.903 74 H ASP 11 H ASP 11 0.861 37.261 -7.640 75 HA ASP 11 HA ASP 11 -2.062 36.862 -7.717 76 1HB ASP 11 1HB ASP 11 0.149 35.307 -9.078 77 2HB ASP 11 2HB ASP 11 -1.545 34.822 -9.080 78 HA PRO 12 HA PRO 12 -0.861 34.414 -4.070 79 1HB PRO 12 1HB PRO 12 -3.110 34.791 -2.657 80 2HB PRO 12 2HB PRO 12 -1.931 36.097 -2.841 81 1HG PRO 12 1HG PRO 12 -4.526 35.645 -4.292 82 2HG PRO 12 2HG PRO 12 -3.857 37.162 -3.649 83 1HD PRO 12 1HD PRO 12 -3.693 36.342 -6.293 84 2HD PRO 12 2HD PRO 12 -2.604 37.521 -5.533 85 H THR 13 H THR 13 -2.184 32.666 -2.834 86 HA THR 13 HA THR 13 -4.247 31.363 -4.402 87 HB THR 13 HB THR 13 -2.188 30.449 -5.406 88 HG1 THR 13 HG1 THR 13 -2.815 28.266 -5.180 89 1HG2 THR 13 1HG2 THR 13 -0.705 28.989 -4.101 90 2HG2 THR 13 2HG2 THR 13 -1.613 29.358 -2.626 91 3HG2 THR 13 3HG2 THR 13 -0.699 30.630 -3.448 92 H GLN 14 H GLN 14 -5.582 30.128 -3.140 93 HA GLN 14 HA GLN 14 -5.182 30.296 -0.263 94 1HB GLN 14 1HB GLN 14 -7.471 29.453 -0.069 95 2HB GLN 14 2HB GLN 14 -7.401 30.819 -1.167 96 1HG GLN 14 1HG GLN 14 -7.575 29.359 -3.075 97 2HG GLN 14 2HG GLN 14 -7.452 27.942 -2.052 98 1HE2 GLN 14 2HE2 GLN 14 -9.535 28.788 -3.915 99 2HE2 GLN 14 1HE2 GLN 14 -11.003 28.845 -2.999 100 H ALA 15 H ALA 15 -4.606 28.124 -2.782 101 HA ALA 15 HA ALA 15 -5.004 25.624 -1.548 102 1HB ALA 15 1HB ALA 15 -3.515 24.759 -3.307 103 2HB ALA 15 2HB ALA 15 -3.063 26.409 -3.731 104 3HB ALA 15 3HB ALA 15 -4.730 25.866 -3.963 105 H ALA 16 H ALA 16 -4.108 25.079 0.312 106 HA ALA 16 HA ALA 16 -1.751 26.164 1.372 107 1HB ALA 16 1HB ALA 16 -1.926 24.353 3.049 108 2HB ALA 16 2HB ALA 16 -3.179 23.590 2.065 109 3HB ALA 16 3HB ALA 16 -3.458 25.176 2.782 110 H SER 17 H SER 17 0.296 25.728 0.932 111 HA SER 17 HA SER 17 1.114 23.856 -1.012 112 1HB SER 17 1HB SER 17 2.746 25.316 1.079 113 2HB SER 17 2HB SER 17 3.404 24.482 -0.319 114 HG SER 17 HG SER 17 3.009 26.872 -0.486 115 H SER 18 H SER 18 0.241 21.888 -0.345 116 HA SER 18 HA SER 18 1.526 20.591 1.963 117 1HB SER 18 1HB SER 18 -0.893 19.676 0.392 118 2HB SER 18 2HB SER 18 -0.288 18.968 1.889 119 HG SER 18 HG SER 18 -0.613 21.384 2.589 120 HA PRO 19 HA PRO 19 3.652 18.440 -1.462 121 1HB PRO 19 1HB PRO 19 6.135 18.730 -0.603 122 2HB PRO 19 2HB PRO 19 5.240 20.133 -1.205 123 1HG PRO 19 1HG PRO 19 5.882 19.352 1.603 124 2HG PRO 19 2HG PRO 19 5.774 20.959 0.888 125 1HD PRO 19 1HD PRO 19 3.754 19.605 2.356 126 2HD PRO 19 2HD PRO 19 3.588 21.135 1.470 127 H GLY 20 H GLY 20 2.666 17.458 1.420 128 1HA GLY 20 1HA GLY 20 2.622 15.414 2.458 129 2HA GLY 20 2HA GLY 20 3.664 14.791 1.187 130 H GLY 21 H GLY 21 4.442 13.653 3.176 131 1HA GLY 21 1HA GLY 21 6.934 14.887 4.022 132 2HA GLY 21 2HA GLY 21 5.767 14.620 5.312 133 H ALA 22 H ALA 22 7.772 13.147 5.985 134 HA ALA 22 HA ALA 22 7.597 10.580 4.570 135 1HB ALA 22 1HB ALA 22 9.755 10.071 5.631 136 2HB ALA 22 2HB ALA 22 9.752 11.639 6.427 137 3HB ALA 22 3HB ALA 22 9.859 11.548 4.664 138 H ARG 23 H ARG 23 6.498 9.018 5.551 139 HA ARG 23 HA ARG 23 6.257 9.069 8.491 140 1HB ARG 23 1HB ARG 23 3.917 8.540 8.384 141 2HB ARG 23 2HB ARG 23 4.191 10.010 7.449 142 1HG ARG 23 1HG ARG 23 4.349 8.363 5.425 143 2HG ARG 23 2HG ARG 23 3.482 7.251 6.495 144 1HD ARG 23 1HD ARG 23 1.925 8.497 5.094 145 2HD ARG 23 2HD ARG 23 1.712 8.928 6.791 146 HE ARG 23 HE ARG 23 3.027 10.967 6.305 147 1HH1 ARG 23 1HH1 ARG 23 1.376 9.348 3.662 148 2HH1 ARG 23 2HH1 ARG 23 1.392 10.756 2.644 149 1HH2 ARG 23 1HH2 ARG 23 2.990 12.804 4.997 150 2HH2 ARG 23 2HH2 ARG 23 2.312 12.729 3.384 151 H ALA 24 H ALA 24 6.106 7.061 9.495 152 HA ALA 24 HA ALA 24 6.948 4.815 7.798 153 1HB ALA 24 1HB ALA 24 8.012 3.885 9.800 154 2HB ALA 24 2HB ALA 24 7.444 5.274 10.742 155 3HB ALA 24 3HB ALA 24 8.612 5.506 9.449 156 H VAL 25 H VAL 25 5.238 3.593 7.345 157 HA VAL 25 HA VAL 25 3.177 3.144 9.385 158 HB VAL 25 HB VAL 25 1.727 2.361 7.592 159 1HG1 VAL 25 1HG1 VAL 25 3.075 4.999 6.937 160 2HG1 VAL 25 2HG1 VAL 25 1.729 4.744 8.053 161 3HG1 VAL 25 3HG1 VAL 25 1.509 4.486 6.329 162 1HG2 VAL 25 1HG2 VAL 25 3.333 1.297 6.140 163 2HG2 VAL 25 2HG2 VAL 25 4.109 2.849 5.786 164 3HG2 VAL 25 3HG2 VAL 25 2.465 2.533 5.222 165 H SER 26 H SER 26 2.564 1.012 9.943 166 HA SER 26 HA SER 26 4.712 -0.912 9.373 167 1HB SER 26 1HB SER 26 3.910 -1.971 11.567 168 2HB SER 26 2HB SER 26 4.694 -0.395 11.697 169 HG SER 26 HG SER 26 1.945 -0.364 11.350 170 H ILE 27 H ILE 27 4.181 -3.123 9.399 171 HA ILE 27 HA ILE 27 1.513 -3.787 8.345 172 HB ILE 27 HB ILE 27 4.194 -4.817 7.340 173 1HG1 ILE 27 1HG1 ILE 27 3.145 -4.246 5.089 174 2HG1 ILE 27 2HG1 ILE 27 1.849 -3.447 5.981 175 1HG2 ILE 27 1HG2 ILE 27 1.451 -5.972 6.801 176 2HG2 ILE 27 2HG2 ILE 27 2.764 -6.731 7.710 177 3HG2 ILE 27 3HG2 ILE 27 2.949 -6.449 5.984 178 1HD1 ILE 27 1HD1 ILE 27 4.767 -2.736 6.141 179 2HD1 ILE 27 2HD1 ILE 27 3.422 -1.871 6.896 180 3HD1 ILE 27 3HD1 ILE 27 3.577 -1.909 5.139 181 H VAL 28 H VAL 28 0.548 -5.263 9.588 182 HA VAL 28 HA VAL 28 2.174 -6.582 11.667 183 HB VAL 28 HB VAL 28 -0.076 -6.961 12.796 184 1HG1 VAL 28 1HG1 VAL 28 0.833 -4.114 12.370 185 2HG1 VAL 28 2HG1 VAL 28 1.431 -5.252 13.597 186 3HG1 VAL 28 3HG1 VAL 28 -0.242 -4.671 13.662 187 1HG2 VAL 28 1HG2 VAL 28 -1.490 -6.629 10.799 188 2HG2 VAL 28 2HG2 VAL 28 -1.032 -4.928 10.774 189 3HG2 VAL 28 3HG2 VAL 28 -1.956 -5.584 12.125 190 H GLY 29 H GLY 29 2.860 -8.462 10.875 191 1HA GLY 29 1HA GLY 29 2.783 -10.657 10.208 192 2HA GLY 29 2HA GLY 29 1.027 -10.576 10.299 193 H ASN 30 H ASN 30 0.006 -9.288 8.558 194 HA ASN 30 HA ASN 30 1.296 -9.025 6.017 195 1HB ASN 30 1HB ASN 30 -0.042 -10.711 4.829 196 2HB ASN 30 2HB ASN 30 0.997 -11.465 6.031 197 1HD2 ASN 30 2HD2 ASN 30 -1.464 -12.436 4.825 198 2HD2 ASN 30 1HD2 ASN 30 -2.558 -12.741 6.128 199 H GLN 31 H GLN 31 0.034 -7.183 7.572 200 HA GLN 31 HA GLN 31 -2.471 -6.618 6.203 201 1HB GLN 31 1HB GLN 31 -3.188 -8.064 8.066 202 2HB GLN 31 2HB GLN 31 -2.349 -7.031 9.216 203 1HG GLN 31 1HG GLN 31 -3.870 -5.166 8.522 204 2HG GLN 31 2HG GLN 31 -4.767 -6.342 7.557 205 1HE2 GLN 31 2HE2 GLN 31 -6.641 -6.020 8.726 206 2HE2 GLN 31 1HE2 GLN 31 -6.867 -6.563 10.339 207 H ILE 32 H ILE 32 -3.199 -4.472 6.538 208 HA ILE 32 HA ILE 32 -1.796 -2.545 8.090 209 HB ILE 32 HB ILE 32 -0.182 -2.798 6.218 210 1HG1 ILE 32 1HG1 ILE 32 -1.665 -0.156 6.217 211 2HG1 ILE 32 2HG1 ILE 32 -0.423 -0.621 7.358 212 1HG2 ILE 32 1HG2 ILE 32 -0.810 -2.059 3.957 213 2HG2 ILE 32 2HG2 ILE 32 -2.480 -1.896 4.490 214 3HG2 ILE 32 3HG2 ILE 32 -1.716 -3.481 4.471 215 1HD1 ILE 32 1HD1 ILE 32 -0.036 -0.254 4.390 216 2HD1 ILE 32 2HD1 ILE 32 1.217 -0.699 5.546 217 3HD1 ILE 32 3HD1 ILE 32 0.448 0.879 5.658 218 H ASP 33 H ASP 33 -2.935 -0.484 8.055 219 HA ASP 33 HA ASP 33 -5.608 -0.751 6.840 220 1HB ASP 33 1HB ASP 33 -5.374 -0.308 9.358 221 2HB ASP 33 2HB ASP 33 -4.827 1.299 8.927 222 H SER 34 H SER 34 -6.407 0.769 5.495 223 HA SER 34 HA SER 34 -4.631 2.058 3.787 224 1HB SER 34 1HB SER 34 -6.727 3.191 2.902 225 2HB SER 34 2HB SER 34 -6.793 1.426 2.979 226 HG SER 34 HG SER 34 -7.726 1.939 5.214 227 H ARG 35 H ARG 35 -6.149 3.177 6.723 228 HA ARG 35 HA ARG 35 -6.017 5.955 6.277 229 1HB ARG 35 1HB ARG 35 -7.388 5.065 8.064 230 2HB ARG 35 2HB ARG 35 -5.975 4.380 8.858 231 1HG ARG 35 1HG ARG 35 -6.684 6.404 9.979 232 2HG ARG 35 2HG ARG 35 -5.098 6.633 9.252 233 1HD ARG 35 1HD ARG 35 -6.219 7.708 7.309 234 2HD ARG 35 2HD ARG 35 -7.743 7.625 8.200 235 HE ARG 35 HE ARG 35 -5.900 8.889 9.831 236 1HH1 ARG 35 1HH1 ARG 35 -7.403 9.460 6.733 237 2HH1 ARG 35 2HH1 ARG 35 -7.355 11.186 6.871 238 1HH2 ARG 35 1HH2 ARG 35 -5.766 11.166 10.021 239 2HH2 ARG 35 2HH2 ARG 35 -6.394 12.159 8.739 240 H GLU 36 H GLU 36 -3.704 3.647 7.610 241 HA GLU 36 HA GLU 36 -1.796 5.379 8.626 242 1HB GLU 36 1HB GLU 36 -1.202 2.807 7.159 243 2HB GLU 36 2HB GLU 36 -0.203 3.601 8.371 244 1HG GLU 36 1HG GLU 36 -2.868 2.270 8.800 245 2HG GLU 36 2HG GLU 36 -1.293 1.750 9.397 246 H LEU 37 H LEU 37 -2.265 4.235 5.321 247 HA LEU 37 HA LEU 37 0.063 5.523 4.244 248 1HB LEU 37 1HB LEU 37 -2.387 4.423 2.837 249 2HB LEU 37 2HB LEU 37 -0.852 4.825 2.062 250 HG LEU 37 HG LEU 37 -1.179 2.694 4.197 251 1HD1 LEU 37 1HD1 LEU 37 -1.037 1.041 2.415 252 2HD1 LEU 37 2HD1 LEU 37 -1.006 2.329 1.216 253 3HD1 LEU 37 3HD1 LEU 37 -2.440 2.078 2.197 254 1HD2 LEU 37 1HD2 LEU 37 1.103 3.336 2.322 255 2HD2 LEU 37 2HD2 LEU 37 1.040 1.948 3.422 256 3HD2 LEU 37 3HD2 LEU 37 1.063 3.593 4.074 257 H PHE 38 H PHE 38 -3.440 6.195 4.064 258 HA PHE 38 HA PHE 38 -2.923 8.698 2.663 259 1HB PHE 38 1HB PHE 38 -5.541 7.352 3.381 260 2HB PHE 38 2HB PHE 38 -5.387 8.741 2.349 261 HD1 PHE 38 HD2 PHE 38 -3.846 8.432 0.228 262 HD2 PHE 38 HD1 PHE 38 -5.551 5.224 2.449 263 HE1 PHE 38 HE2 PHE 38 -3.613 6.960 -1.717 264 HE2 PHE 38 HE1 PHE 38 -5.288 3.724 0.516 265 HZ PHE 38 HZ PHE 38 -4.331 4.611 -1.578 266 H THR 39 H THR 39 -2.546 8.160 5.712 267 HA THR 39 HA THR 39 -4.433 9.648 7.145 268 HB THR 39 HB THR 39 -2.809 8.224 8.300 269 HG1 THR 39 HG1 THR 39 -2.450 10.955 9.058 270 1HG2 THR 39 1HG2 THR 39 -0.451 8.894 8.555 271 2HG2 THR 39 2HG2 THR 39 -0.743 10.288 7.498 272 3HG2 THR 39 3HG2 THR 39 -0.867 8.658 6.855 273 H VAL 40 H VAL 40 -1.859 10.711 5.090 274 HA VAL 40 HA VAL 40 -2.553 13.499 5.763 275 HB VAL 40 HB VAL 40 0.102 12.521 4.641 276 1HG1 VAL 40 1HG1 VAL 40 0.844 14.859 4.976 277 2HG1 VAL 40 2HG1 VAL 40 -0.790 15.290 5.487 278 3HG1 VAL 40 3HG1 VAL 40 -0.499 14.746 3.834 279 1HG2 VAL 40 1HG2 VAL 40 -0.647 13.484 7.401 280 2HG2 VAL 40 2HG2 VAL 40 1.012 13.266 6.851 281 3HG2 VAL 40 3HG2 VAL 40 -0.074 11.880 6.971 282 H ASP 41 H ASP 41 -1.150 11.538 3.112 283 HA ASP 41 HA ASP 41 -2.329 13.389 1.183 284 1HB ASP 41 1HB ASP 41 -0.303 11.159 0.718 285 2HB ASP 41 2HB ASP 41 -0.798 12.382 -0.460 286 H ARG 42 H ARG 42 -4.185 12.907 0.292 287 HA ARG 42 HA ARG 42 -5.503 10.437 0.506 288 1HB ARG 42 1HB ARG 42 -6.654 12.581 0.256 289 2HB ARG 42 2HB ARG 42 -6.018 12.753 -1.389 290 1HG ARG 42 1HG ARG 42 -7.329 10.888 -2.157 291 2HG ARG 42 2HG ARG 42 -7.824 10.494 -0.504 292 1HD ARG 42 1HD ARG 42 -8.498 13.102 -1.862 293 2HD ARG 42 2HD ARG 42 -9.546 11.679 -1.907 294 HE ARG 42 HE ARG 42 -8.825 12.359 0.761 295 1HH1 ARG 42 1HH1 ARG 42 -10.927 13.347 -1.870 296 2HH1 ARG 42 2HH1 ARG 42 -12.129 14.025 -0.829 297 1HH2 ARG 42 1HH2 ARG 42 -10.450 13.202 2.123 298 2HH2 ARG 42 2HH2 ARG 42 -11.860 13.953 1.443 299 H GLU 43 H GLU 43 -2.849 10.987 -1.344 300 HA GLU 43 HA GLU 43 -3.468 8.711 -3.035 301 1HB GLU 43 1HB GLU 43 -4.000 10.752 -4.369 302 2HB GLU 43 2HB GLU 43 -2.332 11.254 -4.201 303 1HG GLU 43 1HG GLU 43 -1.642 9.174 -5.349 304 2HG GLU 43 2HG GLU 43 -3.352 8.798 -5.608 305 H ILE 44 H ILE 44 -1.694 7.431 -3.400 306 HA ILE 44 HA ILE 44 0.901 8.335 -2.308 307 HB ILE 44 HB ILE 44 -0.347 5.586 -1.937 308 1HG1 ILE 44 1HG1 ILE 44 -1.376 7.324 -0.477 309 2HG1 ILE 44 2HG1 ILE 44 -0.458 6.129 0.445 310 1HG2 ILE 44 1HG2 ILE 44 1.612 5.079 -0.564 311 2HG2 ILE 44 2HG2 ILE 44 2.282 6.671 -0.922 312 3HG2 ILE 44 3HG2 ILE 44 2.068 5.490 -2.212 313 1HD1 ILE 44 1HD1 ILE 44 -0.107 8.397 1.276 314 2HD1 ILE 44 2HD1 ILE 44 0.503 8.887 -0.307 315 3HD1 ILE 44 3HD1 ILE 44 1.397 7.706 0.654 316 H VAL 45 H VAL 45 2.696 7.620 -3.480 317 HA VAL 45 HA VAL 45 2.101 6.459 -6.113 318 HB VAL 45 HB VAL 45 4.534 7.972 -5.129 319 1HG1 VAL 45 1HG1 VAL 45 5.368 7.887 -7.404 320 2HG1 VAL 45 2HG1 VAL 45 3.991 6.892 -7.895 321 3HG1 VAL 45 3HG1 VAL 45 5.179 6.258 -6.766 322 1HG2 VAL 45 1HG2 VAL 45 3.808 9.715 -6.679 323 2HG2 VAL 45 2HG2 VAL 45 2.577 9.365 -5.463 324 3HG2 VAL 45 3HG2 VAL 45 2.394 8.745 -7.104 325 H ILE 46 H ILE 46 2.248 4.355 -6.119 326 HA ILE 46 HA ILE 46 4.336 2.955 -4.650 327 HB ILE 46 HB ILE 46 2.023 1.855 -6.259 328 1HG1 ILE 46 1HG1 ILE 46 2.432 2.127 -3.266 329 2HG1 ILE 46 2HG1 ILE 46 1.293 3.054 -4.247 330 1HG2 ILE 46 1HG2 ILE 46 4.001 0.423 -4.510 331 2HG2 ILE 46 2HG2 ILE 46 3.809 0.244 -6.244 332 3HG2 ILE 46 3HG2 ILE 46 2.532 -0.309 -5.152 333 1HD1 ILE 46 1HD1 ILE 46 1.201 0.091 -3.742 334 2HD1 ILE 46 2HD1 ILE 46 0.077 0.982 -4.762 335 3HD1 ILE 46 3HD1 ILE 46 0.142 1.298 -3.029 336 H ALA 47 H ALA 47 6.290 2.869 -5.609 337 HA ALA 47 HA ALA 47 6.507 2.602 -8.486 338 1HB ALA 47 1HB ALA 47 8.057 4.056 -7.256 339 2HB ALA 47 2HB ALA 47 8.915 2.770 -8.108 340 3HB ALA 47 3HB ALA 47 8.665 2.663 -6.355 341 H HIS 48 H HIS 48 6.974 0.751 -9.575 342 HA HIS 48 HA HIS 48 8.050 -1.563 -8.173 343 1HB HIS 48 1HB HIS 48 5.624 -1.883 -7.880 344 2HB HIS 48 2HB HIS 48 5.386 -1.681 -9.616 345 HD1 HIS 48 HD1 HIS 48 7.112 -4.043 -7.192 346 HD2 HIS 48 HD2 HIS 48 5.599 -4.003 -11.072 347 HE1 HIS 48 HE1 HIS 48 7.231 -6.412 -7.995 348 HE2 HIS 48 HE2 HIS 48 6.569 -6.306 -10.424 349 H GLY 49 H GLY 49 9.853 -1.620 -9.464 350 1HA GLY 49 1HA GLY 49 10.936 -2.622 -11.295 351 2HA GLY 49 2HA GLY 49 9.432 -2.518 -12.205 352 H ASP 50 H ASP 50 10.825 0.078 -10.342 353 HA ASP 50 HA ASP 50 11.481 2.169 -10.826 354 1HB ASP 50 1HB ASP 50 13.247 0.897 -12.137 355 2HB ASP 50 2HB ASP 50 12.275 1.174 -13.583 356 H ASP 51 H ASP 51 8.858 0.797 -12.065 357 HA ASP 51 HA ASP 51 7.984 3.080 -13.688 358 1HB ASP 51 1HB ASP 51 7.406 0.871 -14.548 359 2HB ASP 51 2HB ASP 51 6.728 0.376 -13.006 360 H ARG 52 H ARG 52 5.589 3.770 -13.037 361 HA ARG 52 HA ARG 52 5.561 4.079 -10.109 362 1HB ARG 52 1HB ARG 52 5.018 6.249 -12.161 363 2HB ARG 52 2HB ARG 52 4.791 6.417 -10.424 364 1HG ARG 52 1HG ARG 52 7.407 5.956 -11.838 365 2HG ARG 52 2HG ARG 52 6.863 7.455 -11.095 366 1HD ARG 52 1HD ARG 52 6.713 6.186 -8.906 367 2HD ARG 52 2HD ARG 52 7.529 4.857 -9.720 368 HE ARG 52 HE ARG 52 8.701 7.544 -9.276 369 1HH1 ARG 52 1HH1 ARG 52 9.084 4.074 -9.743 370 2HH1 ARG 52 2HH1 ARG 52 10.773 4.100 -9.331 371 1HH2 ARG 52 1HH2 ARG 52 10.930 7.538 -8.745 372 2HH2 ARG 52 2HH2 ARG 52 11.809 6.041 -8.789 373 H TYR 53 H TYR 53 3.782 3.387 -9.244 374 HA TYR 53 HA TYR 53 1.233 3.547 -10.720 375 1HB TYR 53 1HB TYR 53 2.103 1.831 -8.381 376 2HB TYR 53 2HB TYR 53 0.411 2.009 -8.851 377 HD1 TYR 53 HD2 TYR 53 3.746 0.841 -10.068 378 HD2 TYR 53 HD1 TYR 53 -0.481 0.679 -10.572 379 HE1 TYR 53 HE2 TYR 53 4.011 -0.999 -11.682 380 HE2 TYR 53 HE1 TYR 53 -0.228 -1.165 -12.175 381 HH TYR 53 HH TYR 53 1.405 -2.121 -13.629 382 H ARG 54 H ARG 54 -0.661 4.050 -9.259 383 HA ARG 54 HA ARG 54 0.077 5.863 -7.058 384 1HB ARG 54 1HB ARG 54 -1.995 6.436 -9.211 385 2HB ARG 54 2HB ARG 54 -1.596 7.506 -7.865 386 1HG ARG 54 1HG ARG 54 0.572 7.967 -8.769 387 2HG ARG 54 2HG ARG 54 0.434 6.668 -9.955 388 1HD ARG 54 1HD ARG 54 0.078 8.770 -11.068 389 2HD ARG 54 2HD ARG 54 -1.446 7.882 -11.035 390 HE ARG 54 HE ARG 54 -1.364 9.561 -8.799 391 1HH1 ARG 54 1HH1 ARG 54 -1.522 9.865 -12.292 392 2HH1 ARG 54 2HH1 ARG 54 -2.338 11.398 -12.231 393 1HH2 ARG 54 1HH2 ARG 54 -2.466 11.545 -8.738 394 2HH2 ARG 54 2HH2 ARG 54 -2.878 12.340 -10.219 395 H LEU 55 H LEU 55 -0.770 4.817 -5.324 396 HA LEU 55 HA LEU 55 -3.340 3.484 -5.473 397 1HB LEU 55 1HB LEU 55 -1.399 2.615 -4.102 398 2HB LEU 55 2HB LEU 55 -1.603 3.995 -3.055 399 HG LEU 55 HG LEU 55 -3.903 3.197 -2.520 400 1HD1 LEU 55 1HD1 LEU 55 -4.568 0.925 -3.122 401 2HD1 LEU 55 2HD1 LEU 55 -3.097 0.731 -4.082 402 3HD1 LEU 55 3HD1 LEU 55 -4.325 1.923 -4.562 403 1HD2 LEU 55 1HD2 LEU 55 -3.199 1.354 -1.058 404 2HD2 LEU 55 2HD2 LEU 55 -2.013 2.661 -1.050 405 3HD2 LEU 55 3HD2 LEU 55 -1.698 1.196 -1.968 406 H ARG 56 H ARG 56 -5.138 4.650 -5.317 407 HA ARG 56 HA ARG 56 -4.925 7.295 -4.017 408 1HB ARG 56 1HB ARG 56 -5.063 7.602 -6.400 409 2HB ARG 56 2HB ARG 56 -6.398 6.470 -6.526 410 1HG ARG 56 1HG ARG 56 -7.855 8.008 -5.301 411 2HG ARG 56 2HG ARG 56 -6.508 9.155 -5.170 412 1HD ARG 56 1HD ARG 56 -7.681 8.137 -7.756 413 2HD ARG 56 2HD ARG 56 -8.124 9.662 -7.012 414 HE ARG 56 HE ARG 56 -5.449 9.878 -7.217 415 1HH1 ARG 56 1HH1 ARG 56 -7.867 8.977 -9.572 416 2HH1 ARG 56 2HH1 ARG 56 -6.982 9.636 -10.913 417 1HH2 ARG 56 1HH2 ARG 56 -4.294 10.753 -8.973 418 2HH2 ARG 56 2HH2 ARG 56 -4.951 10.649 -10.570 419 H LEU 57 H LEU 57 -6.552 7.932 -2.711 420 HA LEU 57 HA LEU 57 -8.661 5.969 -2.107 421 1HB LEU 57 1HB LEU 57 -7.022 7.101 -0.318 422 2HB LEU 57 2HB LEU 57 -8.178 8.406 -0.422 423 HG LEU 57 HG LEU 57 -8.782 5.558 0.422 424 1HD1 LEU 57 1HD1 LEU 57 -9.128 6.518 2.637 425 2HD1 LEU 57 2HD1 LEU 57 -8.674 8.117 2.031 426 3HD1 LEU 57 3HD1 LEU 57 -7.491 6.794 2.070 427 1HD2 LEU 57 1HD2 LEU 57 -10.612 7.971 0.400 428 2HD2 LEU 57 2HD2 LEU 57 -11.003 6.368 1.025 429 3HD2 LEU 57 3HD2 LEU 57 -10.712 6.597 -0.688 430 H THR 58 H THR 58 -10.743 6.498 -2.496 431 HA THR 58 HA THR 58 -11.341 8.631 -4.306 432 HB THR 58 HB THR 58 -13.679 7.832 -4.060 433 HG1 THR 58 HG1 THR 58 -12.530 6.541 -1.851 434 1HG2 THR 58 1HG2 THR 58 -11.702 5.549 -4.303 435 2HG2 THR 58 2HG2 THR 58 -12.167 6.641 -5.607 436 3HG2 THR 58 3HG2 THR 58 -13.360 5.556 -4.895 437 H SER 59 H SER 59 -13.566 9.842 -3.675 438 HA SER 59 HA SER 59 -12.929 11.845 -1.887 439 1HB SER 59 1HB SER 59 -14.715 11.995 -3.632 440 2HB SER 59 2HB SER 59 -15.736 10.957 -2.618 441 HG SER 59 HG SER 59 -14.598 13.343 -1.607 442 H GLN 60 H GLN 60 -14.979 8.980 -1.388 443 HA GLN 60 HA GLN 60 -14.060 8.572 1.250 444 1HB GLN 60 1HB GLN 60 -15.539 10.625 1.554 445 2HB GLN 60 2HB GLN 60 -16.917 9.596 1.139 446 1HG GLN 60 1HG GLN 60 -16.704 9.862 3.550 447 2HG GLN 60 2HG GLN 60 -16.401 8.199 3.084 448 1HE2 GLN 60 2HE2 GLN 60 -15.576 9.790 5.466 449 2HE2 GLN 60 1HE2 GLN 60 -13.854 9.636 5.555 450 H ASN 61 H ASN 61 -14.903 7.231 -1.378 451 HA ASN 61 HA ASN 61 -16.936 5.350 -0.449 452 1HB ASN 61 1HB ASN 61 -17.074 6.158 -2.771 453 2HB ASN 61 2HB ASN 61 -15.469 5.502 -3.099 454 1HD2 ASN 61 2HD2 ASN 61 -17.980 3.935 -1.190 455 2HD2 ASN 61 1HD2 ASN 61 -18.215 2.604 -2.267 456 H LYS 62 H LYS 62 -13.735 4.990 -1.925 457 HA LYS 62 HA LYS 62 -12.897 2.925 -0.129 458 1HB LYS 62 1HB LYS 62 -12.754 1.127 -1.803 459 2HB LYS 62 2HB LYS 62 -14.427 1.648 -1.562 460 1HG LYS 62 1HG LYS 62 -14.301 2.989 -3.628 461 2HG LYS 62 2HG LYS 62 -12.620 2.463 -3.838 462 1HD LYS 62 1HD LYS 62 -13.411 0.109 -3.939 463 2HD LYS 62 2HD LYS 62 -15.080 0.687 -3.797 464 1HE LYS 62 1HE LYS 62 -14.821 1.919 -5.892 465 2HE LYS 62 2HE LYS 62 -13.149 1.361 -6.032 466 1HZ LYS 62 1HZ LYS 62 -15.525 -0.429 -5.971 467 2HZ LYS 62 2HZ LYS 62 -13.922 -0.892 -6.250 468 3HZ LYS 62 3HZ LYS 62 -14.731 0.080 -7.374 469 H LEU 63 H LEU 63 -10.980 1.733 -1.838 470 HA LEU 63 HA LEU 63 -9.433 4.040 -2.813 471 1HB LEU 63 1HB LEU 63 -7.370 3.170 -1.954 472 2HB LEU 63 2HB LEU 63 -8.491 3.316 -0.624 473 HG LEU 63 HG LEU 63 -8.037 0.683 -2.027 474 1HD1 LEU 63 1HD1 LEU 63 -6.503 1.835 0.312 475 2HD1 LEU 63 2HD1 LEU 63 -5.848 1.462 -1.284 476 3HD1 LEU 63 3HD1 LEU 63 -6.401 0.157 -0.228 477 1HD2 LEU 63 1HD2 LEU 63 -10.027 0.895 -0.589 478 2HD2 LEU 63 2HD2 LEU 63 -8.995 1.391 0.757 479 3HD2 LEU 63 3HD2 LEU 63 -8.852 -0.240 0.086 480 H ILE 64 H ILE 64 -7.728 3.363 -4.370 481 HA ILE 64 HA ILE 64 -8.237 0.906 -5.776 482 HB ILE 64 HB ILE 64 -8.585 2.116 -7.992 483 1HG1 ILE 64 1HG1 ILE 64 -9.909 4.333 -7.634 484 2HG1 ILE 64 2HG1 ILE 64 -9.089 4.389 -6.060 485 1HG2 ILE 64 1HG2 ILE 64 -11.026 2.262 -7.700 486 2HG2 ILE 64 2HG2 ILE 64 -10.827 2.214 -5.953 487 3HG2 ILE 64 3HG2 ILE 64 -10.357 0.822 -6.933 488 1HD1 ILE 64 1HD1 ILE 64 -6.937 4.400 -7.184 489 2HD1 ILE 64 2HD1 ILE 64 -7.961 5.725 -7.739 490 3HD1 ILE 64 3HD1 ILE 64 -7.747 4.297 -8.752 491 H LEU 65 H LEU 65 -6.799 0.849 -7.840 492 HA LEU 65 HA LEU 65 -4.284 2.265 -7.280 493 1HB LEU 65 1HB LEU 65 -4.105 -0.100 -6.618 494 2HB LEU 65 2HB LEU 65 -4.623 -0.595 -8.224 495 HG LEU 65 HG LEU 65 -2.547 0.385 -9.164 496 1HD1 LEU 65 1HD1 LEU 65 -1.847 0.943 -6.278 497 2HD1 LEU 65 2HD1 LEU 65 -2.186 2.147 -7.527 498 3HD1 LEU 65 3HD1 LEU 65 -0.761 1.122 -7.652 499 1HD2 LEU 65 1HD2 LEU 65 -0.982 -1.264 -8.259 500 2HD2 LEU 65 2HD2 LEU 65 -2.572 -1.976 -8.538 501 3HD2 LEU 65 3HD2 LEU 65 -2.067 -1.556 -6.902 502 H THR 66 H THR 66 -3.970 3.668 -8.902 503 HA THR 66 HA THR 66 -4.457 2.803 -11.668 504 HB THR 66 HB THR 66 -6.347 4.243 -10.836 505 HG1 THR 66 HG1 THR 66 -6.292 4.544 -12.924 506 1HG2 THR 66 1HG2 THR 66 -5.035 5.675 -9.295 507 2HG2 THR 66 2HG2 THR 66 -5.956 6.626 -10.456 508 3HG2 THR 66 3HG2 THR 66 -4.219 6.405 -10.677 509 H LYS 67 H LYS 67 -3.403 4.520 -13.204 510 HA LYS 67 HA LYS 67 -1.393 6.221 -12.217 511 1HB LYS 67 1HB LYS 67 0.632 5.111 -12.969 512 2HB LYS 67 2HB LYS 67 -0.161 4.155 -11.748 513 1HG LYS 67 1HG LYS 67 0.498 2.551 -13.241 514 2HG LYS 67 2HG LYS 67 -1.167 2.866 -13.752 515 1HD LYS 67 1HD LYS 67 0.270 2.754 -15.703 516 2HD LYS 67 2HD LYS 67 -0.320 4.394 -15.511 517 1HE LYS 67 1HE LYS 67 2.023 4.454 -16.103 518 2HE LYS 67 2HE LYS 67 1.842 5.002 -14.457 519 1HZ LYS 67 1HZ LYS 67 2.670 2.265 -15.236 520 2HZ LYS 67 2HZ LYS 67 2.586 2.865 -13.647 521 3HZ LYS 67 3HZ LYS 67 3.727 3.479 -14.733 522 1H MET 1 1H MET 1 -13.015 -48.179 28.445 523 2H MET 1 2H MET 1 -14.667 -48.090 28.820 524 3H MET 1 3H MET 1 -13.971 -49.578 28.451 525 HA MET 1 HA MET 1 -13.304 -47.912 30.812 526 1HB MET 1 1HB MET 1 -15.553 -48.914 30.998 527 2HB MET 1 2HB MET 1 -14.910 -50.500 30.594 528 1HG MET 1 1HG MET 1 -13.459 -50.287 32.681 529 2HG MET 1 2HG MET 1 -14.452 -48.898 33.090 530 1HE MET 1 1HE MET 1 -17.144 -49.075 33.384 531 2HE MET 1 2HE MET 1 -18.023 -50.615 33.326 532 3HE MET 1 3HE MET 1 -17.301 -49.934 31.857 533 H MET 2 H MET 2 -13.252 -51.367 29.887 534 HA MET 2 HA MET 2 -10.638 -51.628 31.189 535 1HB MET 2 1HB MET 2 -12.504 -53.154 31.834 536 2HB MET 2 2HB MET 2 -12.584 -53.761 30.178 537 1HG MET 2 1HG MET 2 -10.346 -54.686 30.405 538 2HG MET 2 2HG MET 2 -10.175 -53.985 31.996 539 1HE MET 2 1HE MET 2 -12.742 -56.008 34.150 540 2HE MET 2 2HE MET 2 -13.083 -54.470 33.320 541 3HE MET 2 3HE MET 2 -11.532 -54.732 34.115 542 H THR 3 H THR 3 -8.895 -52.649 30.164 543 HA THR 3 HA THR 3 -7.447 -53.092 28.469 544 HB THR 3 HB THR 3 -9.816 -53.342 26.599 545 HG1 THR 3 HG1 THR 3 -9.001 -54.947 28.725 546 1HG2 THR 3 1HG2 THR 3 -7.583 -53.401 25.544 547 2HG2 THR 3 2HG2 THR 3 -8.394 -54.950 25.432 548 3HG2 THR 3 3HG2 THR 3 -7.132 -54.746 26.623 549 H ALA 4 H ALA 4 -8.492 -50.414 29.114 550 HA ALA 4 HA ALA 4 -8.509 -48.984 26.568 551 1HB ALA 4 1HB ALA 4 -9.010 -48.031 29.377 552 2HB ALA 4 2HB ALA 4 -10.245 -48.467 28.199 553 3HB ALA 4 3HB ALA 4 -9.208 -47.058 27.909 554 H SER 5 H SER 5 -6.085 -50.215 28.015 555 HA SER 5 HA SER 5 -4.458 -48.116 28.973 556 1HB SER 5 1HB SER 5 -3.512 -50.763 27.889 557 2HB SER 5 2HB SER 5 -2.743 -49.755 29.129 558 HG SER 5 HG SER 5 -4.757 -51.604 29.348 559 H ASP 6 H ASP 6 -5.490 -48.667 25.902 560 HA ASP 6 HA ASP 6 -3.069 -48.302 24.416 561 1HB ASP 6 1HB ASP 6 -5.065 -49.587 23.589 562 2HB ASP 6 2HB ASP 6 -5.928 -48.069 23.424 563 H ARG 7 H ARG 7 -5.387 -46.234 25.866 564 HA ARG 7 HA ARG 7 -5.356 -44.050 24.079 565 1HB ARG 7 1HB ARG 7 -7.040 -44.384 25.899 566 2HB ARG 7 2HB ARG 7 -5.809 -43.930 27.088 567 1HG ARG 7 1HG ARG 7 -5.599 -41.710 25.914 568 2HG ARG 7 2HG ARG 7 -6.952 -42.186 24.903 569 1HD ARG 7 1HD ARG 7 -7.852 -40.847 26.651 570 2HD ARG 7 2HD ARG 7 -8.301 -42.518 27.019 571 HE ARG 7 HE ARG 7 -6.057 -41.085 28.329 572 1HH1 ARG 7 1HH1 ARG 7 -8.762 -43.336 28.452 573 2HH1 ARG 7 2HH1 ARG 7 -8.582 -43.636 30.148 574 1HH2 ARG 7 1HH2 ARG 7 -5.904 -41.405 30.556 575 2HH2 ARG 7 2HH2 ARG 7 -6.968 -42.522 31.350 576 H LEU 8 H LEU 8 -4.119 -42.280 23.875 577 HA LEU 8 HA LEU 8 -2.043 -41.705 25.865 578 1HB LEU 8 1HB LEU 8 -0.368 -41.307 23.995 579 2HB LEU 8 2HB LEU 8 -0.751 -42.985 24.354 580 HG LEU 8 HG LEU 8 -2.355 -42.912 22.369 581 1HD1 LEU 8 1HD1 LEU 8 -1.816 -41.244 20.622 582 2HD1 LEU 8 2HD1 LEU 8 -0.806 -40.383 21.781 583 3HD1 LEU 8 3HD1 LEU 8 -2.541 -40.514 22.046 584 1HD2 LEU 8 1HD2 LEU 8 -0.245 -44.092 22.310 585 2HD2 LEU 8 2HD2 LEU 8 0.610 -42.595 21.906 586 3HD2 LEU 8 3HD2 LEU 8 -0.540 -43.295 20.770 587 H GLY 9 H GLY 9 -1.362 -39.487 25.849 588 1HA GLY 9 1HA GLY 9 -3.392 -37.727 24.615 589 2HA GLY 9 2HA GLY 9 -2.410 -37.339 26.029 590 H ALA 10 H ALA 10 -0.739 -38.840 23.448 591 HA ALA 10 HA ALA 10 0.894 -36.532 23.029 592 1HB ALA 10 1HB ALA 10 2.144 -37.955 21.502 593 2HB ALA 10 2HB ALA 10 0.870 -39.173 21.573 594 3HB ALA 10 3HB ALA 10 1.819 -38.805 23.013 595 H ASP 11 H ASP 11 -0.234 -34.889 22.100 596 HA ASP 11 HA ASP 11 -0.866 -35.192 19.281 597 1HB ASP 11 1HB ASP 11 -3.022 -35.439 20.572 598 2HB ASP 11 2HB ASP 11 -2.771 -33.807 21.203 599 HA PRO 12 HA PRO 12 1.734 -31.611 19.341 600 1HB PRO 12 1HB PRO 12 1.007 -30.618 16.850 601 2HB PRO 12 2HB PRO 12 2.257 -31.837 17.144 602 1HG PRO 12 1HG PRO 12 -0.588 -32.199 16.283 603 2HG PRO 12 2HG PRO 12 0.861 -33.089 15.767 604 1HD PRO 12 1HD PRO 12 -0.871 -34.143 17.533 605 2HD PRO 12 2HD PRO 12 0.883 -34.429 17.660 606 H THR 13 H THR 13 -1.390 -30.928 17.758 607 HA THR 13 HA THR 13 -3.025 -29.425 18.141 608 HB THR 13 HB THR 13 -1.643 -28.839 20.789 609 HG1 THR 13 HG1 THR 13 -2.804 -31.063 19.962 610 1HG2 THR 13 1HG2 THR 13 -3.274 -27.106 20.143 611 2HG2 THR 13 2HG2 THR 13 -3.887 -28.091 21.491 612 3HG2 THR 13 3HG2 THR 13 -4.494 -28.351 19.850 613 H GLN 14 H GLN 14 0.201 -28.163 19.096 614 HA GLN 14 HA GLN 14 -0.404 -25.447 18.641 615 1HB GLN 14 1HB GLN 14 2.308 -26.827 18.510 616 2HB GLN 14 2HB GLN 14 2.035 -25.096 18.711 617 1HG GLN 14 1HG GLN 14 1.053 -25.433 20.873 618 2HG GLN 14 2HG GLN 14 1.136 -27.186 20.689 619 1HE2 GLN 14 2HE2 GLN 14 2.404 -27.454 22.507 620 2HE2 GLN 14 1HE2 GLN 14 4.053 -26.977 22.562 621 H ALA 15 H ALA 15 -1.442 -25.264 16.642 622 HA ALA 15 HA ALA 15 0.080 -25.863 14.221 623 1HB ALA 15 1HB ALA 15 -1.970 -25.188 13.022 624 2HB ALA 15 2HB ALA 15 -2.728 -24.801 14.568 625 3HB ALA 15 3HB ALA 15 -2.289 -26.470 14.201 626 H ALA 16 H ALA 16 1.636 -24.321 13.953 627 HA ALA 16 HA ALA 16 1.136 -21.563 14.687 628 1HB ALA 16 1HB ALA 16 3.636 -22.855 13.566 629 2HB ALA 16 2HB ALA 16 3.276 -22.596 15.276 630 3HB ALA 16 3HB ALA 16 3.523 -21.213 14.218 631 H SER 17 H SER 17 -0.448 -21.024 13.134 632 HA SER 17 HA SER 17 0.208 -20.950 10.319 633 1HB SER 17 1HB SER 17 -2.164 -21.123 11.183 634 2HB SER 17 2HB SER 17 -2.006 -19.474 11.773 635 HG SER 17 HG SER 17 -2.320 -20.416 9.192 636 H SER 18 H SER 18 2.024 -19.742 9.997 637 HA SER 18 HA SER 18 2.199 -17.129 11.331 638 1HB SER 18 1HB SER 18 4.434 -18.919 10.366 639 2HB SER 18 2HB SER 18 4.623 -17.356 11.145 640 HG SER 18 HG SER 18 3.029 -18.887 12.664 641 HA PRO 19 HA PRO 19 2.494 -15.431 7.119 642 1HB PRO 19 1HB PRO 19 2.128 -12.851 7.860 643 2HB PRO 19 2HB PRO 19 0.770 -13.971 7.666 644 1HG PRO 19 1HG PRO 19 2.138 -13.057 10.165 645 2HG PRO 19 2HG PRO 19 0.413 -13.306 9.873 646 1HD PRO 19 1HD PRO 19 1.999 -15.109 11.178 647 2HD PRO 19 2HD PRO 19 0.543 -15.549 10.295 648 H GLY 20 H GLY 20 3.851 -13.152 6.673 649 1HA GLY 20 1HA GLY 20 6.513 -13.901 7.004 650 2HA GLY 20 2HA GLY 20 5.952 -12.302 6.521 651 H GLY 21 H GLY 21 4.771 -11.235 8.657 652 1HA GLY 21 1HA GLY 21 5.462 -11.408 11.193 653 2HA GLY 21 2HA GLY 21 7.033 -10.955 10.508 654 H ALA 22 H ALA 22 6.682 -8.983 11.975 655 HA ALA 22 HA ALA 22 4.787 -7.079 10.774 656 1HB ALA 22 1HB ALA 22 6.087 -7.031 13.510 657 2HB ALA 22 2HB ALA 22 4.428 -7.512 13.163 658 3HB ALA 22 3HB ALA 22 4.927 -5.842 12.888 659 H ARG 23 H ARG 23 5.650 -5.493 9.585 660 HA ARG 23 HA ARG 23 8.464 -4.729 9.945 661 1HB ARG 23 1HB ARG 23 8.639 -4.605 7.430 662 2HB ARG 23 2HB ARG 23 8.542 -6.225 8.106 663 1HG ARG 23 1HG ARG 23 6.097 -6.220 7.531 664 2HG ARG 23 2HG ARG 23 6.371 -4.676 6.689 665 1HD ARG 23 1HD ARG 23 7.997 -5.740 5.206 666 2HD ARG 23 2HD ARG 23 7.845 -7.258 6.087 667 HE ARG 23 HE ARG 23 5.955 -6.128 4.183 668 1HH1 ARG 23 1HH1 ARG 23 6.568 -8.619 6.602 669 2HH1 ARG 23 2HH1 ARG 23 5.399 -9.710 5.926 670 1HH2 ARG 23 1HH2 ARG 23 4.439 -7.601 3.304 671 2HH2 ARG 23 2HH2 ARG 23 4.173 -9.134 4.100 672 H ALA 24 H ALA 24 8.998 -2.638 9.466 673 HA ALA 24 HA ALA 24 6.700 -0.792 9.283 674 1HB ALA 24 1HB ALA 24 8.156 0.861 10.373 675 2HB ALA 24 2HB ALA 24 9.473 -0.316 10.386 676 3HB ALA 24 3HB ALA 24 8.023 -0.611 11.325 677 H VAL 25 H VAL 25 6.422 -0.178 7.220 678 HA VAL 25 HA VAL 25 8.772 0.357 5.539 679 HB VAL 25 HB VAL 25 7.244 0.250 3.632 680 1HG1 VAL 25 1HG1 VAL 25 6.829 -2.082 5.508 681 2HG1 VAL 25 2HG1 VAL 25 8.223 -1.828 4.455 682 3HG1 VAL 25 3HG1 VAL 25 6.635 -2.103 3.760 683 1HG2 VAL 25 1HG2 VAL 25 5.067 -0.158 5.711 684 2HG2 VAL 25 2HG2 VAL 25 4.865 -0.402 3.964 685 3HG2 VAL 25 3HG2 VAL 25 5.248 1.199 4.596 686 H SER 26 H SER 26 8.982 2.381 4.490 687 HA SER 26 HA SER 26 7.491 4.509 5.838 688 1HB SER 26 1HB SER 26 9.543 5.902 5.126 689 2HB SER 26 2HB SER 26 9.776 4.710 6.393 690 HG SER 26 HG SER 26 10.203 3.894 3.756 691 H ILE 27 H ILE 27 7.113 6.431 4.732 692 HA ILE 27 HA ILE 27 6.664 6.182 1.826 693 HB ILE 27 HB ILE 27 4.856 7.466 3.894 694 1HG1 ILE 27 1HG1 ILE 27 3.107 6.082 2.631 695 2HG1 ILE 27 2HG1 ILE 27 4.456 5.255 1.852 696 1HG2 ILE 27 1HG2 ILE 27 3.491 8.345 2.052 697 2HG2 ILE 27 2HG2 ILE 27 4.700 7.780 0.889 698 3HG2 ILE 27 3HG2 ILE 27 5.116 9.031 2.046 699 1HD1 ILE 27 1HD1 ILE 27 3.930 5.351 4.815 700 2HD1 ILE 27 2HD1 ILE 27 5.242 4.476 4.030 701 3HD1 ILE 27 3HD1 ILE 27 3.570 4.002 3.754 702 H VAL 28 H VAL 28 7.770 7.672 0.746 703 HA VAL 28 HA VAL 28 9.001 9.844 2.284 704 HB VAL 28 HB VAL 28 10.594 10.025 0.320 705 1HG1 VAL 28 1HG1 VAL 28 11.162 8.794 2.384 706 2HG1 VAL 28 2HG1 VAL 28 11.904 8.063 0.970 707 3HG1 VAL 28 3HG1 VAL 28 10.473 7.328 1.693 708 1HG2 VAL 28 1HG2 VAL 28 9.185 8.969 -1.392 709 2HG2 VAL 28 2HG2 VAL 28 9.276 7.428 -0.526 710 3HG2 VAL 28 3HG2 VAL 28 10.728 8.127 -1.240 711 H GLY 29 H GLY 29 7.700 11.533 2.258 712 1HA GLY 29 1HA GLY 29 6.618 13.419 1.464 713 2HA GLY 29 2HA GLY 29 7.155 12.954 -0.159 714 H ASN 30 H ASN 30 6.039 10.986 -1.041 715 HA ASN 30 HA ASN 30 3.373 10.366 -0.222 716 1HB ASN 30 1HB ASN 30 2.210 11.382 -2.152 717 2HB ASN 30 2HB ASN 30 2.975 12.633 -1.194 718 1HD2 ASN 30 2HD2 ASN 30 2.140 12.697 -3.972 719 2HD2 ASN 30 1HD2 ASN 30 3.559 13.076 -4.900 720 H GLN 31 H GLN 31 5.537 8.771 -0.640 721 HA GLN 31 HA GLN 31 5.013 7.342 -3.102 722 1HB GLN 31 1HB GLN 31 6.669 9.220 -3.622 723 2HB GLN 31 2HB GLN 31 7.802 8.388 -2.568 724 1HG GLN 31 1HG GLN 31 6.536 6.979 -4.899 725 2HG GLN 31 2HG GLN 31 7.935 8.029 -5.130 726 1HE2 GLN 31 2HE2 GLN 31 7.636 5.126 -5.513 727 2HE2 GLN 31 1HE2 GLN 31 8.871 4.401 -4.552 728 H ILE 32 H ILE 32 6.002 5.271 -3.141 729 HA ILE 32 HA ILE 32 7.518 4.212 -0.978 730 HB ILE 32 HB ILE 32 5.306 4.304 0.145 731 1HG1 ILE 32 1HG1 ILE 32 6.136 1.467 -0.540 732 2HG1 ILE 32 2HG1 ILE 32 6.924 2.475 0.667 733 1HG2 ILE 32 1HG2 ILE 32 3.866 4.163 -1.789 734 2HG2 ILE 32 2HG2 ILE 32 3.458 2.894 -0.635 735 3HG2 ILE 32 3HG2 ILE 32 4.381 2.513 -2.086 736 1HD1 ILE 32 1HD1 ILE 32 4.860 2.524 1.969 737 2HD1 ILE 32 2HD1 ILE 32 5.415 0.883 1.677 738 3HD1 ILE 32 3HD1 ILE 32 4.058 1.524 0.751 739 H ASP 33 H ASP 33 8.232 2.049 -1.505 740 HA ASP 33 HA ASP 33 7.684 1.324 -4.307 741 1HB ASP 33 1HB ASP 33 10.084 1.677 -3.504 742 2HB ASP 33 2HB ASP 33 9.911 0.176 -2.602 743 H SER 34 H SER 34 6.932 -0.649 -4.868 744 HA SER 34 HA SER 34 5.140 -1.942 -3.141 745 1HB SER 34 1HB SER 34 4.906 -1.939 -5.588 746 2HB SER 34 2HB SER 34 6.354 -2.929 -5.746 747 HG SER 34 HG SER 34 4.643 -4.121 -4.053 748 H ARG 35 H ARG 35 8.529 -2.473 -3.729 749 HA ARG 35 HA ARG 35 8.686 -5.180 -2.911 750 1HB ARG 35 1HB ARG 35 10.704 -2.953 -3.042 751 2HB ARG 35 2HB ARG 35 11.126 -4.536 -2.376 752 1HG ARG 35 1HG ARG 35 10.110 -3.997 -5.160 753 2HG ARG 35 2HG ARG 35 11.786 -4.367 -4.711 754 1HD ARG 35 1HD ARG 35 10.934 -6.572 -3.796 755 2HD ARG 35 2HD ARG 35 9.361 -6.190 -4.506 756 HE ARG 35 HE ARG 35 10.647 -6.067 -6.687 757 1HH1 ARG 35 1HH1 ARG 35 11.736 -8.080 -4.017 758 2HH1 ARG 35 2HH1 ARG 35 12.491 -9.236 -5.067 759 1HH2 ARG 35 1HH2 ARG 35 11.671 -7.596 -8.041 760 2HH2 ARG 35 2HH2 ARG 35 12.488 -8.951 -7.315 761 H GLU 36 H GLU 36 8.920 -2.132 -1.132 762 HA GLU 36 HA GLU 36 9.737 -3.060 1.344 763 1HB GLU 36 1HB GLU 36 7.633 -0.934 0.903 764 2HB GLU 36 2HB GLU 36 8.716 -1.073 2.287 765 1HG GLU 36 1HG GLU 36 9.560 -0.461 -0.549 766 2HG GLU 36 2HG GLU 36 9.394 0.687 0.756 767 H LEU 37 H LEU 37 6.497 -2.942 0.024 768 HA LEU 37 HA LEU 37 5.198 -3.982 2.338 769 1HB LEU 37 1HB LEU 37 4.251 -3.831 -0.515 770 2HB LEU 37 2HB LEU 37 3.249 -4.223 0.857 771 HG LEU 37 HG LEU 37 4.633 -1.564 0.427 772 1HD1 LEU 37 1HD1 LEU 37 2.382 -0.694 0.006 773 2HD1 LEU 37 2HD1 LEU 37 1.721 -2.322 0.098 774 3HD1 LEU 37 3HD1 LEU 37 2.847 -1.907 -1.187 775 1HD2 LEU 37 1HD2 LEU 37 2.651 -2.432 2.533 776 2HD2 LEU 37 2HD2 LEU 37 3.268 -0.793 2.295 777 3HD2 LEU 37 3HD2 LEU 37 4.356 -2.099 2.781 778 H PHE 38 H PHE 38 6.041 -5.440 -0.798 779 HA PHE 38 HA PHE 38 5.137 -8.032 0.155 780 1HB PHE 38 1HB PHE 38 6.118 -7.169 -2.606 781 2HB PHE 38 2HB PHE 38 5.428 -8.740 -2.203 782 HD1 PHE 38 HD2 PHE 38 3.022 -8.817 -1.385 783 HD2 PHE 38 HD1 PHE 38 4.717 -5.368 -3.186 784 HE1 PHE 38 HE2 PHE 38 0.755 -7.942 -1.815 785 HE2 PHE 38 HE1 PHE 38 2.476 -4.498 -3.643 786 HZ PHE 38 HZ PHE 38 0.491 -5.791 -2.964 787 H THR 39 H THR 39 7.806 -6.613 0.844 788 HA THR 39 HA THR 39 9.953 -8.043 -0.229 789 HB THR 39 HB THR 39 10.265 -6.010 1.098 790 HG1 THR 39 HG1 THR 39 12.193 -6.784 1.366 791 1HG2 THR 39 1HG2 THR 39 10.167 -6.034 3.536 792 2HG2 THR 39 2HG2 THR 39 9.619 -7.707 3.520 793 3HG2 THR 39 3HG2 THR 39 8.589 -6.438 2.863 794 H VAL 40 H VAL 40 7.620 -9.020 2.117 795 HA VAL 40 HA VAL 40 8.997 -11.607 2.347 796 HB VAL 40 HB VAL 40 7.057 -10.458 4.375 797 1HG1 VAL 40 1HG1 VAL 40 8.868 -12.877 4.477 798 2HG1 VAL 40 2HG1 VAL 40 7.118 -12.909 4.288 799 3HG1 VAL 40 3HG1 VAL 40 7.830 -12.332 5.794 800 1HG2 VAL 40 1HG2 VAL 40 10.070 -10.539 4.436 801 2HG2 VAL 40 2HG2 VAL 40 9.072 -10.257 5.869 802 3HG2 VAL 40 3HG2 VAL 40 9.028 -9.118 4.518 803 H ASP 41 H ASP 41 5.743 -10.183 2.657 804 HA ASP 41 HA ASP 41 4.619 -12.710 1.729 805 1HB ASP 41 1HB ASP 41 3.194 -10.291 2.882 806 2HB ASP 41 2HB ASP 41 2.479 -11.874 2.592 807 H ARG 42 H ARG 42 4.140 -12.915 -0.294 808 HA ARG 42 HA ARG 42 4.118 -10.842 -2.209 809 1HB ARG 42 1HB ARG 42 4.488 -13.404 -2.471 810 2HB ARG 42 2HB ARG 42 2.744 -13.487 -2.618 811 1HG ARG 42 1HG ARG 42 3.671 -13.437 -4.827 812 2HG ARG 42 2HG ARG 42 2.906 -11.868 -4.523 813 1HD ARG 42 1HD ARG 42 4.998 -10.804 -4.159 814 2HD ARG 42 2HD ARG 42 5.841 -12.358 -4.087 815 HE ARG 42 HE ARG 42 4.540 -11.913 -6.603 816 1HH1 ARG 42 1HH1 ARG 42 7.402 -11.129 -4.738 817 2HH1 ARG 42 2HH1 ARG 42 8.426 -10.992 -6.127 818 1HH2 ARG 42 1HH2 ARG 42 5.919 -11.735 -8.444 819 2HH2 ARG 42 2HH2 ARG 42 7.599 -11.369 -8.225 820 H GLU 43 H GLU 43 1.822 -11.296 0.106 821 HA GLU 43 HA GLU 43 -0.115 -9.749 -1.407 822 1HB GLU 43 1HB GLU 43 -0.848 -12.148 -1.616 823 2HB GLU 43 2HB GLU 43 -0.988 -12.200 0.144 824 1HG GLU 43 1HG GLU 43 -2.724 -10.509 0.081 825 2HG GLU 43 2HG GLU 43 -2.532 -10.336 -1.650 826 H ILE 44 H ILE 44 -1.156 -8.258 -0.164 827 HA ILE 44 HA ILE 44 -0.576 -8.222 2.732 828 HB ILE 44 HB ILE 44 -0.516 -5.849 0.838 829 1HG1 ILE 44 1HG1 ILE 44 1.486 -7.300 0.634 830 2HG1 ILE 44 2HG1 ILE 44 1.885 -5.714 1.308 831 1HG2 ILE 44 1HG2 ILE 44 -1.390 -5.235 3.018 832 2HG2 ILE 44 2HG2 ILE 44 0.214 -4.558 2.772 833 3HG2 ILE 44 3HG2 ILE 44 0.011 -5.972 3.797 834 1HD1 ILE 44 1HD1 ILE 44 3.058 -7.527 2.464 835 2HD1 ILE 44 2HD1 ILE 44 1.511 -8.261 2.908 836 3HD1 ILE 44 3HD1 ILE 44 1.961 -6.671 3.551 837 H VAL 45 H VAL 45 -2.272 -7.486 4.026 838 HA VAL 45 HA VAL 45 -4.857 -7.250 2.668 839 HB VAL 45 HB VAL 45 -4.203 -7.815 5.570 840 1HG1 VAL 45 1HG1 VAL 45 -6.258 -6.552 5.436 841 2HG1 VAL 45 2HG1 VAL 45 -6.607 -8.225 5.852 842 3HG1 VAL 45 3HG1 VAL 45 -6.893 -7.652 4.206 843 1HG2 VAL 45 1HG2 VAL 45 -5.327 -9.585 3.393 844 2HG2 VAL 45 2HG2 VAL 45 -5.103 -10.039 5.080 845 3HG2 VAL 45 3HG2 VAL 45 -3.703 -9.671 4.076 846 H ILE 46 H ILE 46 -5.918 -5.436 2.634 847 HA ILE 46 HA ILE 46 -4.795 -3.087 4.061 848 HB ILE 46 HB ILE 46 -6.032 -3.031 1.292 849 1HG1 ILE 46 1HG1 ILE 46 -3.205 -2.538 2.236 850 2HG1 ILE 46 2HG1 ILE 46 -3.749 -3.864 1.227 851 1HG2 ILE 46 1HG2 ILE 46 -4.975 -0.742 2.949 852 2HG2 ILE 46 2HG2 ILE 46 -6.666 -1.059 2.564 853 3HG2 ILE 46 3HG2 ILE 46 -5.539 -0.628 1.273 854 1HD1 ILE 46 1HD1 ILE 46 -4.324 -2.254 -0.542 855 2HD1 ILE 46 2HD1 ILE 46 -2.615 -2.256 -0.121 856 3HD1 ILE 46 3HD1 ILE 46 -3.651 -0.956 0.456 857 H ALA 47 H ALA 47 -6.224 -2.847 5.718 858 HA ALA 47 HA ALA 47 -9.043 -3.337 5.320 859 1HB ALA 47 1HB ALA 47 -9.253 -2.846 7.706 860 2HB ALA 47 2HB ALA 47 -7.570 -2.312 7.751 861 3HB ALA 47 3HB ALA 47 -7.950 -3.998 7.418 862 H HIS 48 H HIS 48 -10.601 -1.789 5.029 863 HA HIS 48 HA HIS 48 -10.029 1.001 5.671 864 1HB HIS 48 1HB HIS 48 -9.235 0.841 3.359 865 2HB HIS 48 2HB HIS 48 -10.764 0.146 2.841 866 HD1 HIS 48 HD1 HIS 48 -9.476 3.384 4.421 867 HD2 HIS 48 HD2 HIS 48 -12.542 2.005 1.963 868 HE1 HIS 48 HE1 HIS 48 -10.728 5.442 3.688 869 HE2 HIS 48 HE2 HIS 48 -12.709 4.559 2.387 870 H GLY 49 H GLY 49 -11.703 1.116 7.130 871 1HA GLY 49 1HA GLY 49 -13.906 1.780 7.531 872 2HA GLY 49 2HA GLY 49 -14.395 1.119 5.974 873 H ASP 50 H ASP 50 -12.384 -0.501 8.307 874 HA ASP 50 HA ASP 50 -12.557 -2.433 9.469 875 1HB ASP 50 1HB ASP 50 -15.519 -1.783 9.452 876 2HB ASP 50 2HB ASP 50 -14.809 -3.098 10.373 877 H ASP 51 H ASP 51 -13.363 -2.078 6.393 878 HA ASP 51 HA ASP 51 -14.197 -4.843 5.916 879 1HB ASP 51 1HB ASP 51 -15.344 -3.100 4.648 880 2HB ASP 51 2HB ASP 51 -13.822 -2.472 4.053 881 H ARG 52 H ARG 52 -12.849 -5.829 3.923 882 HA ARG 52 HA ARG 52 -10.018 -5.324 4.538 883 1HB ARG 52 1HB ARG 52 -11.314 -8.050 4.336 884 2HB ARG 52 2HB ARG 52 -9.590 -7.766 4.484 885 1HG ARG 52 1HG ARG 52 -10.202 -6.477 6.626 886 2HG ARG 52 2HG ARG 52 -11.750 -7.314 6.502 887 1HD ARG 52 1HD ARG 52 -10.508 -9.466 6.501 888 2HD ARG 52 2HD ARG 52 -9.016 -8.562 6.751 889 HE ARG 52 HE ARG 52 -10.907 -7.870 8.721 890 1HH1 ARG 52 1HH1 ARG 52 -8.792 -10.527 7.835 891 2HH1 ARG 52 2HH1 ARG 52 -8.598 -11.084 9.472 892 1HH2 ARG 52 1HH2 ARG 52 -10.619 -8.576 10.865 893 2HH2 ARG 52 2HH2 ARG 52 -9.657 -9.986 11.174 894 H TYR 53 H TYR 53 -8.913 -4.872 2.813 895 HA TYR 53 HA TYR 53 -9.667 -5.990 0.204 896 1HB TYR 53 1HB TYR 53 -7.859 -3.661 0.878 897 2HB TYR 53 2HB TYR 53 -8.186 -4.251 -0.741 898 HD1 TYR 53 HD1 TYR 53 -9.897 -2.843 2.272 899 HD2 TYR 53 HD2 TYR 53 -9.946 -3.338 -1.961 900 HE1 TYR 53 HE1 TYR 53 -11.776 -1.244 2.114 901 HE2 TYR 53 HE2 TYR 53 -11.792 -1.732 -2.135 902 HH TYR 53 HH TYR 53 -13.590 -0.848 -0.704 903 H ARG 54 H ARG 54 -7.699 -6.511 -1.165 904 HA ARG 54 HA ARG 54 -5.397 -7.418 0.423 905 1HB ARG 54 1HB ARG 54 -6.814 -9.022 -1.709 906 2HB ARG 54 2HB ARG 54 -5.279 -9.454 -0.975 907 1HG ARG 54 1HG ARG 54 -6.429 -9.662 1.194 908 2HG ARG 54 2HG ARG 54 -7.954 -9.304 0.394 909 1HD ARG 54 1HD ARG 54 -7.616 -11.255 -1.096 910 2HD ARG 54 2HD ARG 54 -6.118 -11.626 -0.238 911 HE ARG 54 HE ARG 54 -8.663 -11.606 1.239 912 1HH1 ARG 54 1HH1 ARG 54 -5.866 -13.373 -0.013 913 2HH1 ARG 54 2HH1 ARG 54 -6.279 -14.838 0.828 914 1HH2 ARG 54 1HH2 ARG 54 -9.173 -13.544 2.321 915 2HH2 ARG 54 2HH2 ARG 54 -8.135 -14.928 2.168 916 H LEU 55 H LEU 55 -3.808 -6.131 -0.346 917 HA LEU 55 HA LEU 55 -3.622 -5.492 -3.184 918 1HB LEU 55 1HB LEU 55 -2.955 -3.868 -1.348 919 2HB LEU 55 2HB LEU 55 -1.627 -4.949 -0.971 920 HG LEU 55 HG LEU 55 -0.798 -4.611 -3.328 921 1HD1 LEU 55 1HD1 LEU 55 -1.586 -2.661 -4.566 922 2HD1 LEU 55 2HD1 LEU 55 -2.810 -2.370 -3.327 923 3HD1 LEU 55 3HD1 LEU 55 -2.900 -3.830 -4.317 924 1HD2 LEU 55 1HD2 LEU 55 -0.933 -2.253 -1.472 925 2HD2 LEU 55 2HD2 LEU 55 0.145 -2.361 -2.857 926 3HD2 LEU 55 3HD2 LEU 55 0.291 -3.520 -1.517 927 H ARG 56 H ARG 56 -2.746 -6.950 -4.537 928 HA ARG 56 HA ARG 56 -1.003 -9.019 -3.357 929 1HB ARG 56 1HB ARG 56 -3.208 -9.941 -3.863 930 2HB ARG 56 2HB ARG 56 -3.093 -9.348 -5.507 931 1HG ARG 56 1HG ARG 56 -1.317 -10.870 -6.012 932 2HG ARG 56 2HG ARG 56 -1.197 -11.359 -4.320 933 1HD ARG 56 1HD ARG 56 -3.470 -12.303 -4.462 934 2HD ARG 56 2HD ARG 56 -3.577 -11.834 -6.157 935 HE ARG 56 HE ARG 56 -1.751 -13.400 -6.604 936 1HH1 ARG 56 1HH1 ARG 56 -3.327 -13.666 -3.490 937 2HH1 ARG 56 2HH1 ARG 56 -3.069 -15.390 -3.360 938 1HH2 ARG 56 1HH2 ARG 56 -1.328 -15.660 -6.393 939 2HH2 ARG 56 2HH2 ARG 56 -1.912 -16.510 -5.014 940 H LEU 57 H LEU 57 0.780 -9.641 -4.489 941 HA LEU 57 HA LEU 57 1.421 -8.094 -6.896 942 1HB LEU 57 1HB LEU 57 2.946 -8.273 -4.721 943 2HB LEU 57 2HB LEU 57 3.437 -9.784 -5.448 944 HG LEU 57 HG LEU 57 3.703 -7.058 -6.736 945 1HD1 LEU 57 1HD1 LEU 57 5.791 -8.841 -5.490 946 2HD1 LEU 57 2HD1 LEU 57 5.234 -7.297 -4.862 947 3HD1 LEU 57 3HD1 LEU 57 6.117 -7.359 -6.390 948 1HD2 LEU 57 1HD2 LEU 57 5.081 -8.219 -8.412 949 2HD2 LEU 57 2HD2 LEU 57 3.412 -8.770 -8.431 950 3HD2 LEU 57 3HD2 LEU 57 4.661 -9.770 -7.677 951 H THR 58 H THR 58 1.688 -9.163 -8.780 952 HA THR 58 HA THR 58 0.594 -11.758 -9.078 953 HB THR 58 HB THR 58 1.236 -11.498 -11.461 954 HG1 THR 58 HG1 THR 58 2.687 -9.367 -10.333 955 1HG2 THR 58 1HG2 THR 58 -0.867 -10.523 -10.655 956 2HG2 THR 58 2HG2 THR 58 -0.157 -9.540 -11.935 957 3HG2 THR 58 3HG2 THR 58 -0.025 -9.019 -10.255 958 H SER 59 H SER 59 1.973 -13.268 -10.696 959 HA SER 59 HA SER 59 3.998 -14.489 -9.248 960 1HB SER 59 1HB SER 59 3.686 -14.468 -12.268 961 2HB SER 59 2HB SER 59 4.551 -15.674 -11.321 962 HG SER 59 HG SER 59 2.723 -16.556 -10.709 963 H GLN 60 H GLN 60 4.307 -12.123 -11.906 964 HA GLN 60 HA GLN 60 6.490 -10.808 -10.677 965 1HB GLN 60 1HB GLN 60 7.634 -12.909 -11.359 966 2HB GLN 60 2HB GLN 60 7.274 -12.529 -13.036 967 1HG GLN 60 1HG GLN 60 9.590 -11.979 -12.328 968 2HG GLN 60 2HG GLN 60 8.692 -10.593 -12.960 969 1HE2 GLN 60 2HE2 GLN 60 9.983 -9.108 -11.904 970 2HE2 GLN 60 1HE2 GLN 60 9.934 -8.880 -10.193 971 H ASN 61 H ASN 61 3.938 -10.483 -12.319 972 HA ASN 61 HA ASN 61 4.889 -8.916 -14.597 973 1HB ASN 61 1HB ASN 61 2.958 -10.288 -15.013 974 2HB ASN 61 2HB ASN 61 2.106 -9.610 -13.619 975 1HD2 ASN 61 2HD2 ASN 61 3.980 -7.818 -16.033 976 2HD2 ASN 61 1HD2 ASN 61 2.645 -6.941 -16.666 977 H LYS 62 H LYS 62 2.586 -8.271 -11.986 978 HA LYS 62 HA LYS 62 3.674 -5.664 -11.436 979 1HB LYS 62 1HB LYS 62 1.634 -4.429 -12.071 980 2HB LYS 62 2HB LYS 62 2.372 -5.194 -13.477 981 1HG LYS 62 1HG LYS 62 0.713 -6.944 -13.442 982 2HG LYS 62 2HG LYS 62 -0.005 -6.281 -11.968 983 1HD LYS 62 1HD LYS 62 -0.539 -4.201 -13.187 984 2HD LYS 62 2HD LYS 62 0.153 -4.917 -14.664 985 1HE LYS 62 1HE LYS 62 -2.236 -5.979 -13.129 986 2HE LYS 62 2HE LYS 62 -2.297 -5.079 -14.649 987 1HZ LYS 62 1HZ LYS 62 -1.119 -6.870 -15.720 988 2HZ LYS 62 2HZ LYS 62 -2.497 -7.478 -14.967 989 3HZ LYS 62 3HZ LYS 62 -0.983 -7.706 -14.262 990 H LEU 63 H LEU 63 1.330 -4.590 -10.235 991 HA LEU 63 HA LEU 63 0.536 -6.664 -8.299 992 1HB LEU 63 1HB LEU 63 0.656 -5.135 -6.433 993 2HB LEU 63 2HB LEU 63 2.207 -5.174 -7.226 994 HG LEU 63 HG LEU 63 0.215 -2.984 -7.755 995 1HD1 LEU 63 1HD1 LEU 63 2.373 -3.053 -5.639 996 2HD1 LEU 63 2HD1 LEU 63 0.630 -3.000 -5.361 997 3HD1 LEU 63 3HD1 LEU 63 1.447 -1.624 -6.107 998 1HD2 LEU 63 1HD2 LEU 63 2.224 -1.699 -8.418 999 2HD2 LEU 63 2HD2 LEU 63 2.006 -3.154 -9.391 1000 3HD2 LEU 63 3HD2 LEU 63 3.219 -3.127 -8.117 1001 H ILE 64 H ILE 64 -1.486 -6.092 -7.179 1002 HA ILE 64 HA ILE 64 -3.279 -4.264 -8.573 1003 HB ILE 64 HB ILE 64 -4.981 -6.112 -8.969 1004 1HG1 ILE 64 1HG1 ILE 64 -3.856 -8.379 -9.541 1005 2HG1 ILE 64 2HG1 ILE 64 -2.532 -7.819 -8.524 1006 1HG2 ILE 64 1HG2 ILE 64 -3.848 -4.979 -10.779 1007 2HG2 ILE 64 2HG2 ILE 64 -4.064 -6.710 -11.157 1008 3HG2 ILE 64 3HG2 ILE 64 -2.491 -6.106 -10.648 1009 1HD1 ILE 64 1HD1 ILE 64 -4.071 -9.309 -7.340 1010 2HD1 ILE 64 2HD1 ILE 64 -5.388 -8.153 -7.627 1011 3HD1 ILE 64 3HD1 ILE 64 -4.007 -7.696 -6.608 1012 H LEU 65 H LEU 65 -5.552 -4.471 -7.604 1013 HA LEU 65 HA LEU 65 -5.338 -5.066 -4.726 1014 1HB LEU 65 1HB LEU 65 -5.292 -2.622 -5.124 1015 2HB LEU 65 2HB LEU 65 -6.803 -2.753 -6.018 1016 HG LEU 65 HG LEU 65 -7.903 -3.589 -3.920 1017 1HD1 LEU 65 1HD1 LEU 65 -5.958 -4.467 -2.777 1018 2HD1 LEU 65 2HD1 LEU 65 -6.756 -3.253 -1.792 1019 3HD1 LEU 65 3HD1 LEU 65 -5.280 -2.828 -2.661 1020 1HD2 LEU 65 1HD2 LEU 65 -8.069 -1.246 -4.588 1021 2HD2 LEU 65 2HD2 LEU 65 -6.589 -0.885 -3.680 1022 3HD2 LEU 65 3HD2 LEU 65 -8.048 -1.427 -2.850 1023 H THR 66 H THR 66 -6.620 -6.771 -4.357 1024 HA THR 66 HA THR 66 -9.309 -6.849 -5.568 1025 HB THR 66 HB THR 66 -7.964 -8.403 -6.838 1026 HG1 THR 66 HG1 THR 66 -9.289 -10.177 -5.098 1027 1HG2 THR 66 1HG2 THR 66 -6.776 -10.291 -5.799 1028 2HG2 THR 66 2HG2 THR 66 -7.198 -9.683 -4.206 1029 3HG2 THR 66 3HG2 THR 66 -6.126 -8.743 -5.240 1030 H LYS 67 H LYS 67 -10.647 -8.641 -4.343 1031 HA LYS 67 HA LYS 67 -9.799 -8.805 -1.522 1032 1HB LYS 67 1HB LYS 67 -12.672 -8.697 -2.505 1033 2HB LYS 67 2HB LYS 67 -12.138 -8.772 -0.841 1034 1HG LYS 67 1HG LYS 67 -11.073 -6.549 -1.105 1035 2HG LYS 67 2HG LYS 67 -11.750 -6.467 -2.739 1036 1HD LYS 67 1HD LYS 67 -14.012 -6.777 -1.751 1037 2HD LYS 67 2HD LYS 67 -13.283 -6.649 -0.142 1038 1HE LYS 67 1HE LYS 67 -12.454 -4.408 -0.697 1039 2HE LYS 67 2HE LYS 67 -13.208 -4.519 -2.289 1040 1HZ LYS 67 1HZ LYS 67 -15.376 -4.811 -1.087 1041 2HZ LYS 67 2HZ LYS 67 -14.649 -3.304 -0.849 1042 3HZ LYS 67 3HZ LYS 67 -14.553 -4.477 0.361 Start of MODEL 10 1 1H MET 1 1H MET 1 20.428 42.421 -13.161 2 2H MET 1 2H MET 1 19.373 41.908 -11.936 3 3H MET 1 3H MET 1 20.770 42.783 -11.552 4 HA MET 1 HA MET 1 19.961 44.720 -12.596 5 1HB MET 1 1HB MET 1 17.719 44.815 -13.586 6 2HB MET 1 2HB MET 1 18.686 43.599 -14.411 7 1HG MET 1 1HG MET 1 17.560 41.844 -13.179 8 2HG MET 1 2HG MET 1 16.654 43.043 -12.262 9 1HE MET 1 1HE MET 1 14.424 44.647 -15.055 10 2HE MET 1 2HE MET 1 16.003 45.202 -14.493 11 3HE MET 1 3HE MET 1 14.803 44.641 -13.339 12 H MET 2 H MET 2 17.870 45.990 -11.804 13 HA MET 2 HA MET 2 17.356 45.118 -9.043 14 1HB MET 2 1HB MET 2 17.528 47.931 -10.152 15 2HB MET 2 2HB MET 2 17.010 47.533 -8.519 16 1HG MET 2 1HG MET 2 19.199 46.503 -8.077 17 2HG MET 2 2HG MET 2 19.706 46.918 -9.720 18 1HE MET 2 1HE MET 2 18.616 48.290 -6.214 19 2HE MET 2 2HE MET 2 17.463 49.056 -7.317 20 3HE MET 2 3HE MET 2 18.673 50.031 -6.482 21 H THR 3 H THR 3 15.384 44.564 -8.611 22 HA THR 3 HA THR 3 13.068 45.768 -9.938 23 HB THR 3 HB THR 3 13.652 43.784 -11.329 24 HG1 THR 3 HG1 THR 3 11.416 42.775 -10.080 25 1HG2 THR 3 1HG2 THR 3 13.202 42.191 -8.801 26 2HG2 THR 3 2HG2 THR 3 14.757 42.463 -9.585 27 3HG2 THR 3 3HG2 THR 3 13.511 41.524 -10.413 28 H ALA 4 H ALA 4 11.030 44.520 -8.887 29 HA ALA 4 HA ALA 4 10.918 44.997 -6.155 30 1HB ALA 4 1HB ALA 4 8.910 43.588 -6.121 31 2HB ALA 4 2HB ALA 4 9.335 42.916 -7.694 32 3HB ALA 4 3HB ALA 4 8.906 44.626 -7.544 33 H SER 5 H SER 5 12.563 44.229 -4.950 34 HA SER 5 HA SER 5 13.341 41.411 -5.107 35 1HB SER 5 1HB SER 5 15.205 42.189 -3.583 36 2HB SER 5 2HB SER 5 15.187 42.994 -5.158 37 HG SER 5 HG SER 5 15.247 44.173 -2.887 38 H ASP 6 H ASP 6 14.232 40.912 -2.579 39 HA ASP 6 HA ASP 6 11.791 40.346 -1.192 40 1HB ASP 6 1HB ASP 6 14.666 39.908 -0.420 41 2HB ASP 6 2HB ASP 6 13.325 39.425 0.600 42 H ARG 7 H ARG 7 11.027 42.535 -0.960 43 HA ARG 7 HA ARG 7 11.942 43.631 1.624 44 1HB ARG 7 1HB ARG 7 10.955 45.177 -0.810 45 2HB ARG 7 2HB ARG 7 11.088 45.872 0.805 46 1HG ARG 7 1HG ARG 7 13.533 45.356 0.768 47 2HG ARG 7 2HG ARG 7 13.340 44.808 -0.901 48 1HD ARG 7 1HD ARG 7 12.763 47.590 0.139 49 2HD ARG 7 2HD ARG 7 14.157 47.104 -0.829 50 HE ARG 7 HE ARG 7 12.279 46.397 -2.493 51 1HH1 ARG 7 1HH1 ARG 7 12.322 49.306 -0.491 52 2HH1 ARG 7 2HH1 ARG 7 11.400 50.248 -1.632 53 1HH2 ARG 7 1HH2 ARG 7 11.155 47.684 -4.009 54 2HH2 ARG 7 2HH2 ARG 7 10.790 49.334 -3.624 55 H LEU 8 H LEU 8 10.443 42.500 2.784 56 HA LEU 8 HA LEU 8 7.707 43.363 2.694 57 1HB LEU 8 1HB LEU 8 7.834 41.574 0.930 58 2HB LEU 8 2HB LEU 8 8.350 40.454 2.158 59 HG LEU 8 HG LEU 8 6.163 40.776 3.332 60 1HD1 LEU 8 1HD1 LEU 8 5.604 42.981 2.485 61 2HD1 LEU 8 2HD1 LEU 8 4.326 41.809 2.120 62 3HD1 LEU 8 3HD1 LEU 8 5.447 42.312 0.854 63 1HD2 LEU 8 1HD2 LEU 8 6.528 38.853 1.857 64 2HD2 LEU 8 2HD2 LEU 8 5.972 39.816 0.486 65 3HD2 LEU 8 3HD2 LEU 8 4.862 39.434 1.792 66 H GLY 9 H GLY 9 6.447 42.254 4.506 67 1HA GLY 9 1HA GLY 9 7.938 42.368 6.912 68 2HA GLY 9 2HA GLY 9 6.275 41.809 6.753 69 H ALA 10 H ALA 10 9.644 40.816 6.355 70 HA ALA 10 HA ALA 10 10.735 38.861 6.679 71 1HB ALA 10 1HB ALA 10 9.693 38.935 8.899 72 2HB ALA 10 2HB ALA 10 9.915 37.288 8.307 73 3HB ALA 10 3HB ALA 10 8.315 38.012 8.281 74 H ASP 11 H ASP 11 7.511 37.385 6.686 75 HA ASP 11 HA ASP 11 7.993 36.274 4.001 76 1HB ASP 11 1HB ASP 11 7.261 34.533 6.377 77 2HB ASP 11 2HB ASP 11 7.487 33.998 4.716 78 HA PRO 12 HA PRO 12 3.463 36.730 4.043 79 1HB PRO 12 1HB PRO 12 2.945 35.643 1.616 80 2HB PRO 12 2HB PRO 12 3.638 37.263 1.774 81 1HG PRO 12 1HG PRO 12 5.003 34.676 1.127 82 2HG PRO 12 2HG PRO 12 5.256 36.278 0.427 83 1HD PRO 12 1HD PRO 12 6.864 35.186 2.354 84 2HD PRO 12 2HD PRO 12 6.671 36.932 2.116 85 H THR 13 H THR 13 5.364 33.947 3.492 86 HA THR 13 HA THR 13 4.027 32.229 5.240 87 HB THR 13 HB THR 13 2.297 32.107 3.431 88 HG1 THR 13 HG1 THR 13 2.270 29.807 3.342 89 1HG2 THR 13 1HG2 THR 13 2.829 31.001 1.297 90 2HG2 THR 13 2HG2 THR 13 4.524 30.944 1.744 91 3HG2 THR 13 3HG2 THR 13 3.736 32.496 1.478 92 H GLN 14 H GLN 14 4.907 29.827 4.682 93 HA GLN 14 HA GLN 14 7.755 30.118 4.454 94 1HB GLN 14 1HB GLN 14 6.777 28.465 5.995 95 2HB GLN 14 2HB GLN 14 6.072 27.598 4.629 96 1HG GLN 14 1HG GLN 14 8.304 27.104 3.768 97 2HG GLN 14 2HG GLN 14 9.031 27.962 5.121 98 1HE2 GLN 14 2HE2 GLN 14 7.365 25.109 4.088 99 2HE2 GLN 14 1HE2 GLN 14 7.608 24.179 5.531 100 H ALA 15 H ALA 15 8.475 30.633 2.489 101 HA ALA 15 HA ALA 15 7.300 30.130 0.024 102 1HB ALA 15 1HB ALA 15 9.424 30.623 -1.008 103 2HB ALA 15 2HB ALA 15 10.264 30.356 0.527 104 3HB ALA 15 3HB ALA 15 9.145 31.712 0.360 105 H ALA 16 H ALA 16 9.641 28.124 1.802 106 HA ALA 16 HA ALA 16 9.858 26.146 -0.249 107 1HB ALA 16 1HB ALA 16 11.640 26.437 1.407 108 2HB ALA 16 2HB ALA 16 10.973 24.796 1.475 109 3HB ALA 16 3HB ALA 16 10.530 25.961 2.700 110 H SER 17 H SER 17 7.663 25.755 -0.757 111 HA SER 17 HA SER 17 5.879 24.621 1.206 112 1HB SER 17 1HB SER 17 4.345 24.333 -0.735 113 2HB SER 17 2HB SER 17 4.961 25.982 -0.614 114 HG SER 17 HG SER 17 6.671 24.749 -2.116 115 H SER 18 H SER 18 8.445 23.459 -0.603 116 HA SER 18 HA SER 18 7.519 20.765 -1.029 117 1HB SER 18 1HB SER 18 9.145 21.770 -2.572 118 2HB SER 18 2HB SER 18 10.287 21.963 -1.251 119 HG SER 18 HG SER 18 9.381 19.574 -2.458 120 HA PRO 19 HA PRO 19 8.902 19.796 3.195 121 1HB PRO 19 1HB PRO 19 6.971 18.094 3.824 122 2HB PRO 19 2HB PRO 19 6.607 19.823 3.629 123 1HG PRO 19 1HG PRO 19 6.064 17.536 1.773 124 2HG PRO 19 2HG PRO 19 5.088 18.978 2.074 125 1HD PRO 19 1HD PRO 19 6.925 18.563 -0.061 126 2HD PRO 19 2HD PRO 19 6.123 20.083 0.350 127 H GLY 20 H GLY 20 9.805 17.896 4.201 128 1HA GLY 20 1HA GLY 20 10.835 15.844 2.492 129 2HA GLY 20 2HA GLY 20 10.822 15.817 4.268 130 H GLY 21 H GLY 21 8.257 15.915 4.924 131 1HA GLY 21 1HA GLY 21 6.338 14.715 5.199 132 2HA GLY 21 2HA GLY 21 6.290 14.727 3.439 133 H ALA 22 H ALA 22 8.552 13.096 5.678 134 HA ALA 22 HA ALA 22 7.899 10.584 4.301 135 1HB ALA 22 1HB ALA 22 10.349 11.255 5.950 136 2HB ALA 22 2HB ALA 22 10.276 11.309 4.185 137 3HB ALA 22 3HB ALA 22 10.060 9.780 5.029 138 H ARG 23 H ARG 23 6.938 8.973 5.410 139 HA ARG 23 HA ARG 23 6.854 9.189 8.357 140 1HB ARG 23 1HB ARG 23 4.445 8.571 8.306 141 2HB ARG 23 2HB ARG 23 4.790 10.161 7.661 142 1HG ARG 23 1HG ARG 23 4.680 9.161 5.358 143 2HG ARG 23 2HG ARG 23 4.098 7.666 6.127 144 1HD ARG 23 1HD ARG 23 2.201 8.843 7.046 145 2HD ARG 23 2HD ARG 23 2.793 10.378 6.405 146 HE ARG 23 HE ARG 23 1.648 8.150 4.850 147 1HH1 ARG 23 1HH1 ARG 23 2.851 11.439 4.999 148 2HH1 ARG 23 2HH1 ARG 23 2.111 11.919 3.502 149 1HH2 ARG 23 1HH2 ARG 23 0.645 8.809 2.877 150 2HH2 ARG 23 2HH2 ARG 23 0.898 10.433 2.301 151 H ALA 24 H ALA 24 6.601 7.289 9.488 152 HA ALA 24 HA ALA 24 7.298 4.877 7.962 153 1HB ALA 24 1HB ALA 24 8.086 3.966 10.089 154 2HB ALA 24 2HB ALA 24 7.503 5.408 10.923 155 3HB ALA 24 3HB ALA 24 8.822 5.537 9.770 156 H VAL 25 H VAL 25 5.660 3.592 7.468 157 HA VAL 25 HA VAL 25 3.374 3.417 9.317 158 HB VAL 25 HB VAL 25 2.056 2.559 7.369 159 1HG1 VAL 25 1HG1 VAL 25 1.816 4.733 6.232 160 2HG1 VAL 25 2HG1 VAL 25 3.352 5.264 6.923 161 3HG1 VAL 25 3HG1 VAL 25 1.983 4.943 7.976 162 1HG2 VAL 25 1HG2 VAL 25 2.987 2.864 5.084 163 2HG2 VAL 25 2HG2 VAL 25 3.887 1.674 6.024 164 3HG2 VAL 25 3HG2 VAL 25 4.545 3.294 5.805 165 H SER 26 H SER 26 2.810 1.514 10.153 166 HA SER 26 HA SER 26 4.807 -0.610 9.832 167 1HB SER 26 1HB SER 26 3.678 -1.511 11.960 168 2HB SER 26 2HB SER 26 4.542 0.017 12.097 169 HG SER 26 HG SER 26 1.813 -0.501 12.234 170 H ILE 27 H ILE 27 4.295 -2.743 9.653 171 HA ILE 27 HA ILE 27 1.659 -3.405 8.483 172 HB ILE 27 HB ILE 27 4.311 -4.751 7.819 173 1HG1 ILE 27 1HG1 ILE 27 4.347 -2.456 6.963 174 2HG1 ILE 27 2HG1 ILE 27 4.220 -3.599 5.639 175 1HG2 ILE 27 1HG2 ILE 27 2.416 -6.220 7.493 176 2HG2 ILE 27 2HG2 ILE 27 3.009 -5.701 5.917 177 3HG2 ILE 27 3HG2 ILE 27 1.551 -4.981 6.592 178 1HD1 ILE 27 1HD1 ILE 27 2.796 -1.658 5.310 179 2HD1 ILE 27 2HD1 ILE 27 1.950 -2.020 6.805 180 3HD1 ILE 27 3HD1 ILE 27 1.850 -3.137 5.450 181 H VAL 28 H VAL 28 0.576 -4.970 9.613 182 HA VAL 28 HA VAL 28 2.143 -6.496 11.614 183 HB VAL 28 HB VAL 28 0.012 -6.796 12.853 184 1HG1 VAL 28 1HG1 VAL 28 0.806 -3.924 12.329 185 2HG1 VAL 28 2HG1 VAL 28 1.554 -5.027 13.480 186 3HG1 VAL 28 3HG1 VAL 28 -0.100 -4.479 13.717 187 1HG2 VAL 28 1HG2 VAL 28 -1.920 -5.377 12.308 188 2HG2 VAL 28 2HG2 VAL 28 -1.577 -6.540 11.019 189 3HG2 VAL 28 3HG2 VAL 28 -1.117 -4.825 10.849 190 H GLY 29 H GLY 29 2.663 -8.377 10.664 191 1HA GLY 29 1HA GLY 29 2.255 -10.584 10.047 192 2HA GLY 29 2HA GLY 29 0.534 -10.220 9.948 193 H ASN 30 H ASN 30 -0.125 -8.751 8.158 194 HA ASN 30 HA ASN 30 1.688 -8.025 6.109 195 1HB ASN 30 1HB ASN 30 0.965 -9.354 4.275 196 2HB ASN 30 2HB ASN 30 1.315 -10.498 5.566 197 1HD2 ASN 30 2HD2 ASN 30 -0.414 -10.756 3.218 198 2HD2 ASN 30 1HD2 ASN 30 -2.000 -11.139 3.828 199 H GLN 31 H GLN 31 -0.485 -7.035 7.928 200 HA GLN 31 HA GLN 31 -2.355 -5.955 5.919 201 1HB GLN 31 1HB GLN 31 -3.562 -7.566 7.258 202 2HB GLN 31 2HB GLN 31 -2.939 -6.871 8.747 203 1HG GLN 31 1HG GLN 31 -4.230 -4.855 8.397 204 2HG GLN 31 2HG GLN 31 -4.797 -5.453 6.847 205 1HE2 GLN 31 2HE2 GLN 31 -6.313 -4.654 9.199 206 2HE2 GLN 31 1HE2 GLN 31 -7.261 -6.023 9.659 207 H ILE 32 H ILE 32 -2.208 -3.827 5.740 208 HA ILE 32 HA ILE 32 -1.742 -2.200 8.155 209 HB ILE 32 HB ILE 32 -0.001 -1.943 6.423 210 1HG1 ILE 32 1HG1 ILE 32 -1.783 0.509 6.655 211 2HG1 ILE 32 2HG1 ILE 32 -0.624 -0.033 7.872 212 1HG2 ILE 32 1HG2 ILE 32 -0.522 -0.955 4.256 213 2HG2 ILE 32 2HG2 ILE 32 -2.247 -1.017 4.619 214 3HG2 ILE 32 3HG2 ILE 32 -1.319 -2.513 4.455 215 1HD1 ILE 32 1HD1 ILE 32 0.016 0.906 5.074 216 2HD1 ILE 32 2HD1 ILE 32 1.193 0.301 6.240 217 3HD1 ILE 32 3HD1 ILE 32 0.297 1.780 6.581 218 H ASP 33 H ASP 33 -3.034 -0.251 8.354 219 HA ASP 33 HA ASP 33 -5.686 -0.502 7.149 220 1HB ASP 33 1HB ASP 33 -5.316 -0.036 9.613 221 2HB ASP 33 2HB ASP 33 -4.783 1.574 9.167 222 H SER 34 H SER 34 -6.624 1.053 5.869 223 HA SER 34 HA SER 34 -4.929 2.314 4.014 224 1HB SER 34 1HB SER 34 -7.053 3.322 3.106 225 2HB SER 34 2HB SER 34 -7.118 1.569 3.311 226 HG SER 34 HG SER 34 -8.160 2.048 5.393 227 H ARG 35 H ARG 35 -6.272 3.394 6.976 228 HA ARG 35 HA ARG 35 -6.208 6.203 6.444 229 1HB ARG 35 1HB ARG 35 -6.405 4.621 9.007 230 2HB ARG 35 2HB ARG 35 -6.332 6.374 9.010 231 1HG ARG 35 1HG ARG 35 -8.427 4.700 7.637 232 2HG ARG 35 2HG ARG 35 -8.620 5.569 9.154 233 1HD ARG 35 1HD ARG 35 -8.249 7.689 7.998 234 2HD ARG 35 2HD ARG 35 -8.036 6.821 6.482 235 HE ARG 35 HE ARG 35 -10.552 6.208 7.659 236 1HH1 ARG 35 1HH1 ARG 35 -8.872 8.738 5.907 237 2HH1 ARG 35 2HH1 ARG 35 -10.317 9.362 5.189 238 1HH2 ARG 35 1HH2 ARG 35 -12.463 7.095 6.751 239 2HH2 ARG 35 2HH2 ARG 35 -12.344 8.457 5.675 240 H GLU 36 H GLU 36 -3.893 3.900 7.757 241 HA GLU 36 HA GLU 36 -2.048 5.719 8.808 242 1HB GLU 36 1HB GLU 36 -1.366 3.100 7.466 243 2HB GLU 36 2HB GLU 36 -0.459 3.898 8.734 244 1HG GLU 36 1HG GLU 36 -3.127 2.540 8.974 245 2HG GLU 36 2HG GLU 36 -1.617 2.055 9.714 246 H LEU 37 H LEU 37 -2.391 4.394 5.559 247 HA LEU 37 HA LEU 37 -0.118 5.718 4.449 248 1HB LEU 37 1HB LEU 37 -2.535 4.484 3.107 249 2HB LEU 37 2HB LEU 37 -1.104 5.073 2.278 250 HG LEU 37 HG LEU 37 -1.106 2.808 4.280 251 1HD1 LEU 37 1HD1 LEU 37 -2.345 2.189 2.281 252 2HD1 LEU 37 2HD1 LEU 37 -0.793 1.343 2.345 253 3HD1 LEU 37 3HD1 LEU 37 -1.010 2.726 1.261 254 1HD2 LEU 37 1HD2 LEU 37 1.044 3.872 2.436 255 2HD2 LEU 37 2HD2 LEU 37 1.164 2.408 3.415 256 3HD2 LEU 37 3HD2 LEU 37 1.030 3.987 4.195 257 H PHE 38 H PHE 38 -3.588 6.373 4.399 258 HA PHE 38 HA PHE 38 -3.118 8.876 2.949 259 1HB PHE 38 1HB PHE 38 -5.715 7.483 3.606 260 2HB PHE 38 2HB PHE 38 -5.549 8.869 2.558 261 HD1 PHE 38 HD1 PHE 38 -3.911 8.525 0.546 262 HD2 PHE 38 HD2 PHE 38 -5.769 5.362 2.669 263 HE1 PHE 38 HE1 PHE 38 -3.563 7.047 -1.374 264 HE2 PHE 38 HE2 PHE 38 -5.414 3.865 0.760 265 HZ PHE 38 HZ PHE 38 -4.295 4.708 -1.277 266 H THR 39 H THR 39 -2.489 8.534 5.801 267 HA THR 39 HA THR 39 -4.406 9.882 7.383 268 HB THR 39 HB THR 39 -2.711 8.463 8.432 269 HG1 THR 39 HG1 THR 39 -3.600 10.559 9.430 270 1HG2 THR 39 1HG2 THR 39 -0.392 9.194 8.621 271 2HG2 THR 39 2HG2 THR 39 -0.727 10.580 7.591 272 3HG2 THR 39 3HG2 THR 39 -0.831 8.932 6.935 273 H VAL 40 H VAL 40 -1.771 11.009 5.383 274 HA VAL 40 HA VAL 40 -2.426 13.786 6.109 275 HB VAL 40 HB VAL 40 0.129 12.694 4.877 276 1HG1 VAL 40 1HG1 VAL 40 -0.574 15.543 5.611 277 2HG1 VAL 40 2HG1 VAL 40 -0.420 14.917 3.984 278 3HG1 VAL 40 3HG1 VAL 40 0.997 14.974 5.026 279 1HG2 VAL 40 1HG2 VAL 40 1.196 13.436 6.957 280 2HG2 VAL 40 2HG2 VAL 40 -0.068 12.237 7.278 281 3HG2 VAL 40 3HG2 VAL 40 -0.388 13.956 7.575 282 H ASP 41 H ASP 41 -1.071 12.091 3.280 283 HA ASP 41 HA ASP 41 -2.341 13.876 1.431 284 1HB ASP 41 1HB ASP 41 -1.029 11.227 0.820 285 2HB ASP 41 2HB ASP 41 -1.312 12.550 -0.297 286 H ARG 42 H ARG 42 -3.363 12.419 -0.587 287 HA ARG 42 HA ARG 42 -5.374 10.609 0.583 288 1HB ARG 42 1HB ARG 42 -6.443 12.793 0.179 289 2HB ARG 42 2HB ARG 42 -5.896 12.773 -1.497 290 1HG ARG 42 1HG ARG 42 -7.304 10.912 -2.011 291 2HG ARG 42 2HG ARG 42 -7.729 10.706 -0.312 292 1HD ARG 42 1HD ARG 42 -8.328 13.251 -1.807 293 2HD ARG 42 2HD ARG 42 -9.423 11.862 -1.837 294 HE ARG 42 HE ARG 42 -8.691 12.699 0.810 295 1HH1 ARG 42 1HH1 ARG 42 -10.897 13.292 -1.849 296 2HH1 ARG 42 2HH1 ARG 42 -12.158 13.923 -0.833 297 1HH2 ARG 42 1HH2 ARG 42 -10.370 13.455 2.139 298 2HH2 ARG 42 2HH2 ARG 42 -11.863 13.996 1.445 299 H GLU 43 H GLU 43 -2.810 10.842 -1.297 300 HA GLU 43 HA GLU 43 -3.550 8.573 -2.946 301 1HB GLU 43 1HB GLU 43 -3.920 10.516 -4.409 302 2HB GLU 43 2HB GLU 43 -2.306 11.113 -4.051 303 1HG GLU 43 1HG GLU 43 -1.333 9.163 -5.136 304 2HG GLU 43 2HG GLU 43 -2.937 8.532 -5.483 305 H ILE 44 H ILE 44 -1.918 7.148 -3.167 306 HA ILE 44 HA ILE 44 0.745 7.873 -2.142 307 HB ILE 44 HB ILE 44 -0.728 5.232 -1.822 308 1HG1 ILE 44 1HG1 ILE 44 -1.482 6.909 -0.203 309 2HG1 ILE 44 2HG1 ILE 44 -0.518 5.681 0.606 310 1HG2 ILE 44 1HG2 ILE 44 1.269 4.481 -0.568 311 2HG2 ILE 44 2HG2 ILE 44 2.104 5.952 -1.028 312 3HG2 ILE 44 3HG2 ILE 44 1.618 4.786 -2.253 313 1HD1 ILE 44 1HD1 ILE 44 0.023 7.879 1.461 314 2HD1 ILE 44 2HD1 ILE 44 0.387 8.448 -0.174 315 3HD1 ILE 44 3HD1 ILE 44 1.408 7.219 0.584 316 H VAL 45 H VAL 45 2.461 7.204 -3.383 317 HA VAL 45 HA VAL 45 1.798 5.988 -5.968 318 HB VAL 45 HB VAL 45 4.264 7.525 -5.174 319 1HG1 VAL 45 1HG1 VAL 45 3.435 6.511 -7.887 320 2HG1 VAL 45 2HG1 VAL 45 4.740 5.856 -6.903 321 3HG1 VAL 45 3HG1 VAL 45 4.858 7.500 -7.551 322 1HG2 VAL 45 1HG2 VAL 45 2.372 9.014 -5.280 323 2HG2 VAL 45 2HG2 VAL 45 1.888 8.356 -6.849 324 3HG2 VAL 45 3HG2 VAL 45 3.384 9.278 -6.705 325 H ILE 46 H ILE 46 2.965 4.244 -6.725 326 HA ILE 46 HA ILE 46 4.592 2.777 -4.747 327 HB ILE 46 HB ILE 46 2.338 1.533 -6.344 328 1HG1 ILE 46 1HG1 ILE 46 2.526 2.001 -3.345 329 2HG1 ILE 46 2HG1 ILE 46 1.465 2.855 -4.467 330 1HG2 ILE 46 1HG2 ILE 46 4.216 0.287 -4.330 331 2HG2 ILE 46 2HG2 ILE 46 4.227 0.016 -6.068 332 3HG2 ILE 46 3HG2 ILE 46 2.854 -0.536 -5.109 333 1HD1 ILE 46 1HD1 ILE 46 0.305 1.131 -3.188 334 2HD1 ILE 46 2HD1 ILE 46 1.333 -0.100 -3.902 335 3HD1 ILE 46 3HD1 ILE 46 0.241 0.835 -4.916 336 H ALA 47 H ALA 47 6.512 2.547 -5.709 337 HA ALA 47 HA ALA 47 6.707 2.497 -8.608 338 1HB ALA 47 1HB ALA 47 9.097 2.638 -8.249 339 2HB ALA 47 2HB ALA 47 8.880 2.402 -6.513 340 3HB ALA 47 3HB ALA 47 8.253 3.862 -7.291 341 H HIS 48 H HIS 48 7.092 0.736 -9.808 342 HA HIS 48 HA HIS 48 8.291 -1.628 -8.620 343 1HB HIS 48 1HB HIS 48 5.839 -1.983 -8.476 344 2HB HIS 48 2HB HIS 48 5.723 -1.762 -10.214 345 HD1 HIS 48 HD1 HIS 48 7.348 -4.122 -7.730 346 HD2 HIS 48 HD2 HIS 48 6.043 -4.047 -11.685 347 HE1 HIS 48 HE1 HIS 48 7.620 -6.477 -8.571 348 HE2 HIS 48 HE2 HIS 48 7.088 -6.337 -11.027 349 H GLY 49 H GLY 49 10.143 -1.046 -9.869 350 1HA GLY 49 1HA GLY 49 11.468 -1.412 -11.697 351 2HA GLY 49 2HA GLY 49 10.047 -1.962 -12.596 352 H ASP 50 H ASP 50 9.602 -0.705 -14.268 353 HA ASP 50 HA ASP 50 10.511 2.087 -14.314 354 1HB ASP 50 1HB ASP 50 10.986 0.639 -16.266 355 2HB ASP 50 2HB ASP 50 9.262 0.354 -16.482 356 H ASP 51 H ASP 51 7.562 0.247 -13.947 357 HA ASP 51 HA ASP 51 5.843 2.379 -14.847 358 1HB ASP 51 1HB ASP 51 5.423 -0.168 -14.995 359 2HB ASP 51 2HB ASP 51 5.041 -0.087 -13.274 360 H ARG 52 H ARG 52 4.376 3.528 -13.546 361 HA ARG 52 HA ARG 52 5.086 3.762 -10.677 362 1HB ARG 52 1HB ARG 52 4.238 5.897 -12.651 363 2HB ARG 52 2HB ARG 52 4.326 6.156 -10.916 364 1HG ARG 52 1HG ARG 52 6.711 5.185 -12.432 365 2HG ARG 52 2HG ARG 52 6.282 6.884 -12.452 366 1HD ARG 52 1HD ARG 52 6.735 5.286 -9.933 367 2HD ARG 52 2HD ARG 52 7.964 6.264 -10.718 368 HE ARG 52 HE ARG 52 5.468 7.553 -9.905 369 1HH1 ARG 52 1HH1 ARG 52 8.941 7.197 -9.522 370 2HH1 ARG 52 2HH1 ARG 52 9.082 8.537 -8.420 371 1HH2 ARG 52 1HH2 ARG 52 5.641 9.275 -8.415 372 2HH2 ARG 52 2HH2 ARG 52 7.199 9.722 -7.768 373 H TYR 53 H TYR 53 3.496 3.082 -9.408 374 HA TYR 53 HA TYR 53 0.765 2.945 -10.477 375 1HB TYR 53 1HB TYR 53 1.976 1.537 -8.086 376 2HB TYR 53 2HB TYR 53 0.344 1.294 -8.699 377 HD1 TYR 53 HD1 TYR 53 3.902 1.098 -9.872 378 HD2 TYR 53 HD2 TYR 53 -0.032 -0.503 -10.128 379 HE1 TYR 53 HE1 TYR 53 4.740 -0.668 -11.355 380 HE2 TYR 53 HE2 TYR 53 0.792 -2.275 -11.615 381 HH TYR 53 HH TYR 53 2.673 -2.693 -13.137 382 H ARG 54 H ARG 54 -0.996 3.594 -9.092 383 HA ARG 54 HA ARG 54 -0.252 5.434 -6.929 384 1HB ARG 54 1HB ARG 54 -2.469 5.984 -8.893 385 2HB ARG 54 2HB ARG 54 -1.816 7.085 -7.698 386 1HG ARG 54 1HG ARG 54 0.242 7.292 -8.903 387 2HG ARG 54 2HG ARG 54 -0.235 6.029 -10.033 388 1HD ARG 54 1HD ARG 54 -0.603 8.045 -11.187 389 2HD ARG 54 2HD ARG 54 -2.205 7.526 -10.660 390 HE ARG 54 HE ARG 54 -1.698 9.154 -8.702 391 1HH1 ARG 54 1HH1 ARG 54 -0.813 9.593 -12.057 392 2HH1 ARG 54 2HH1 ARG 54 -0.833 11.317 -11.977 393 1HH2 ARG 54 1HH2 ARG 54 -1.750 11.436 -8.580 394 2HH2 ARG 54 2HH2 ARG 54 -1.360 12.383 -9.988 395 H LEU 55 H LEU 55 -1.019 4.403 -5.158 396 HA LEU 55 HA LEU 55 -3.664 3.167 -5.169 397 1HB LEU 55 1HB LEU 55 -1.785 2.107 -3.941 398 2HB LEU 55 2HB LEU 55 -1.634 3.537 -2.943 399 HG LEU 55 HG LEU 55 -3.934 3.104 -2.056 400 1HD1 LEU 55 1HD1 LEU 55 -4.800 1.850 -3.951 401 2HD1 LEU 55 2HD1 LEU 55 -4.981 0.943 -2.457 402 3HD1 LEU 55 3HD1 LEU 55 -3.697 0.528 -3.592 403 1HD2 LEU 55 1HD2 LEU 55 -1.982 0.828 -1.720 404 2HD2 LEU 55 2HD2 LEU 55 -3.303 1.220 -0.623 405 3HD2 LEU 55 3HD2 LEU 55 -1.962 2.337 -0.818 406 H ARG 56 H ARG 56 -5.383 4.446 -4.881 407 HA ARG 56 HA ARG 56 -4.988 7.014 -3.466 408 1HB ARG 56 1HB ARG 56 -5.018 7.326 -5.919 409 2HB ARG 56 2HB ARG 56 -6.623 6.617 -5.962 410 1HG ARG 56 1HG ARG 56 -7.556 8.444 -4.725 411 2HG ARG 56 2HG ARG 56 -5.949 9.113 -4.425 412 1HD ARG 56 1HD ARG 56 -5.663 9.419 -6.874 413 2HD ARG 56 2HD ARG 56 -7.311 8.824 -7.109 414 HE ARG 56 HE ARG 56 -8.071 10.773 -5.829 415 1HH1 ARG 56 1HH1 ARG 56 -4.888 10.856 -7.282 416 2HH1 ARG 56 2HH1 ARG 56 -4.808 12.580 -7.319 417 1HH2 ARG 56 1HH2 ARG 56 -7.959 13.076 -5.895 418 2HH2 ARG 56 2HH2 ARG 56 -6.556 13.847 -6.587 419 H LEU 57 H LEU 57 -6.704 7.809 -2.270 420 HA LEU 57 HA LEU 57 -8.826 5.843 -1.689 421 1HB LEU 57 1HB LEU 57 -7.348 6.431 0.199 422 2HB LEU 57 2HB LEU 57 -7.742 8.125 -0.005 423 HG LEU 57 HG LEU 57 -10.116 7.591 0.576 424 1HD1 LEU 57 1HD1 LEU 57 -10.646 5.452 1.618 425 2HD1 LEU 57 2HD1 LEU 57 -9.011 4.873 1.286 426 3HD1 LEU 57 3HD1 LEU 57 -10.106 5.216 -0.044 427 1HD2 LEU 57 1HD2 LEU 57 -9.712 7.366 2.960 428 2HD2 LEU 57 2HD2 LEU 57 -8.556 8.486 2.238 429 3HD2 LEU 57 3HD2 LEU 57 -8.060 6.847 2.648 430 H THR 58 H THR 58 -10.889 6.396 -2.049 431 HA THR 58 HA THR 58 -11.494 8.911 -3.329 432 HB THR 58 HB THR 58 -13.762 8.004 -3.619 433 HG1 THR 58 HG1 THR 58 -12.787 6.163 -1.754 434 1HG2 THR 58 1HG2 THR 58 -11.604 5.993 -4.286 435 2HG2 THR 58 2HG2 THR 58 -12.054 7.375 -5.263 436 3HG2 THR 58 3HG2 THR 58 -13.197 6.055 -5.026 437 H SER 59 H SER 59 -13.862 9.793 -2.517 438 HA SER 59 HA SER 59 -13.368 10.916 0.043 439 1HB SER 59 1HB SER 59 -14.664 12.034 -1.820 440 2HB SER 59 2HB SER 59 -15.990 10.915 -1.487 441 HG SER 59 HG SER 59 -16.458 11.943 0.314 442 H GLN 60 H GLN 60 -13.049 8.940 1.250 443 HA GLN 60 HA GLN 60 -13.659 7.616 2.981 444 1HB GLN 60 1HB GLN 60 -15.189 9.390 3.636 445 2HB GLN 60 2HB GLN 60 -16.413 8.741 2.554 446 1HG GLN 60 1HG GLN 60 -16.825 8.199 4.920 447 2HG GLN 60 2HG GLN 60 -16.664 6.777 3.904 448 1HE2 GLN 60 2HE2 GLN 60 -15.004 5.367 4.285 449 2HE2 GLN 60 1HE2 GLN 60 -13.943 5.487 5.645 450 H ASN 61 H ASN 61 -15.420 7.342 0.007 451 HA ASN 61 HA ASN 61 -17.016 5.117 0.491 452 1HB ASN 61 1HB ASN 61 -15.607 5.751 -2.127 453 2HB ASN 61 2HB ASN 61 -17.025 4.726 -1.922 454 1HD2 ASN 61 2HD2 ASN 61 -18.213 6.539 0.090 455 2HD2 ASN 61 1HD2 ASN 61 -18.784 7.906 -0.824 456 H LYS 62 H LYS 62 -13.963 4.944 -1.342 457 HA LYS 62 HA LYS 62 -13.002 2.652 0.114 458 1HB LYS 62 1HB LYS 62 -12.970 1.137 -1.840 459 2HB LYS 62 2HB LYS 62 -14.623 1.560 -1.361 460 1HG LYS 62 1HG LYS 62 -14.731 3.190 -3.193 461 2HG LYS 62 2HG LYS 62 -13.079 2.797 -3.667 462 1HD LYS 62 1HD LYS 62 -13.752 0.490 -4.157 463 2HD LYS 62 2HD LYS 62 -15.404 0.856 -3.638 464 1HE LYS 62 1HE LYS 62 -15.593 2.529 -5.428 465 2HE LYS 62 2HE LYS 62 -13.967 2.160 -5.960 466 1HZ LYS 62 1HZ LYS 62 -14.675 -0.068 -6.514 467 2HZ LYS 62 2HZ LYS 62 -15.668 1.055 -7.300 468 3HZ LYS 62 3HZ LYS 62 -16.223 0.253 -5.922 469 H LEU 63 H LEU 63 -11.203 1.714 -1.793 470 HA LEU 63 HA LEU 63 -9.703 4.050 -2.703 471 1HB LEU 63 1HB LEU 63 -7.594 3.160 -1.878 472 2HB LEU 63 2HB LEU 63 -8.691 3.549 -0.560 473 HG LEU 63 HG LEU 63 -8.360 0.707 -1.577 474 1HD1 LEU 63 1HD1 LEU 63 -6.159 1.560 -0.925 475 2HD1 LEU 63 2HD1 LEU 63 -6.750 0.315 0.186 476 3HD1 LEU 63 3HD1 LEU 63 -6.822 2.025 0.653 477 1HD2 LEU 63 1HD2 LEU 63 -9.174 0.138 0.667 478 2HD2 LEU 63 2HD2 LEU 63 -10.337 1.158 -0.179 479 3HD2 LEU 63 3HD2 LEU 63 -9.298 1.846 1.061 480 H ILE 64 H ILE 64 -7.901 3.338 -4.222 481 HA ILE 64 HA ILE 64 -8.503 0.877 -5.651 482 HB ILE 64 HB ILE 64 -8.746 2.179 -7.855 483 1HG1 ILE 64 1HG1 ILE 64 -9.975 4.419 -7.501 484 2HG1 ILE 64 2HG1 ILE 64 -9.287 4.419 -5.885 485 1HG2 ILE 64 1HG2 ILE 64 -11.172 2.362 -7.606 486 2HG2 ILE 64 2HG2 ILE 64 -11.009 2.286 -5.858 487 3HG2 ILE 64 3HG2 ILE 64 -10.555 0.891 -6.843 488 1HD1 ILE 64 1HD1 ILE 64 -7.046 4.452 -6.816 489 2HD1 ILE 64 2HD1 ILE 64 -8.019 5.761 -7.484 490 3HD1 ILE 64 3HD1 ILE 64 -7.705 4.328 -8.452 491 H LEU 65 H LEU 65 -7.100 0.714 -7.676 492 HA LEU 65 HA LEU 65 -4.492 2.029 -7.232 493 1HB LEU 65 1HB LEU 65 -4.445 -0.367 -6.484 494 2HB LEU 65 2HB LEU 65 -4.970 -0.847 -8.081 495 HG LEU 65 HG LEU 65 -2.480 -1.151 -7.556 496 1HD1 LEU 65 1HD1 LEU 65 -3.121 0.566 -9.937 497 2HD1 LEU 65 2HD1 LEU 65 -3.382 -1.177 -9.839 498 3HD1 LEU 65 3HD1 LEU 65 -1.752 -0.523 -9.752 499 1HD2 LEU 65 1HD2 LEU 65 -2.174 0.962 -6.364 500 2HD2 LEU 65 2HD2 LEU 65 -2.421 1.834 -7.875 501 3HD2 LEU 65 3HD2 LEU 65 -1.031 0.767 -7.691 502 H THR 66 H THR 66 -4.153 3.350 -8.875 503 HA THR 66 HA THR 66 -4.898 2.470 -11.593 504 HB THR 66 HB THR 66 -6.497 4.174 -10.811 505 HG1 THR 66 HG1 THR 66 -4.825 5.547 -12.642 506 1HG2 THR 66 1HG2 THR 66 -5.050 5.324 -9.184 507 2HG2 THR 66 2HG2 THR 66 -5.771 6.445 -10.333 508 3HG2 THR 66 3HG2 THR 66 -4.094 5.970 -10.518 509 H LYS 67 H LYS 67 -3.603 3.562 -13.298 510 HA LYS 67 HA LYS 67 -1.198 4.914 -12.461 511 1HB LYS 67 1HB LYS 67 0.374 3.359 -13.513 512 2HB LYS 67 2HB LYS 67 -0.510 2.572 -12.216 513 1HG LYS 67 1HG LYS 67 -0.615 0.915 -13.745 514 2HG LYS 67 2HG LYS 67 -2.057 1.799 -14.235 515 1HD LYS 67 1HD LYS 67 -0.781 2.959 -15.984 516 2HD LYS 67 2HD LYS 67 0.695 2.128 -15.485 517 1HE LYS 67 1HE LYS 67 -0.216 1.057 -17.446 518 2HE LYS 67 2HE LYS 67 -0.360 -0.030 -16.071 519 1HZ LYS 67 1HZ LYS 67 -2.379 -0.074 -17.335 520 2HZ LYS 67 2HZ LYS 67 -2.533 1.611 -17.258 521 3HZ LYS 67 3HZ LYS 67 -2.688 0.685 -15.857 522 1H MET 1 1H MET 1 -19.760 -54.016 -16.392 523 2H MET 1 2H MET 1 -19.542 -52.772 -17.510 524 3H MET 1 3H MET 1 -19.827 -52.407 -15.886 525 HA MET 1 HA MET 1 -17.757 -53.336 -15.223 526 1HB MET 1 1HB MET 1 -16.163 -54.142 -16.975 527 2HB MET 1 2HB MET 1 -17.586 -55.161 -16.783 528 1HG MET 1 1HG MET 1 -17.056 -53.164 -19.000 529 2HG MET 1 2HG MET 1 -17.012 -54.922 -19.135 530 1HE MET 1 1HE MET 1 -18.626 -54.847 -21.212 531 2HE MET 1 2HE MET 1 -18.715 -53.083 -21.121 532 3HE MET 1 3HE MET 1 -20.195 -54.048 -21.215 533 H MET 2 H MET 2 -17.667 -51.143 -14.683 534 HA MET 2 HA MET 2 -15.622 -49.714 -16.123 535 1HB MET 2 1HB MET 2 -16.835 -47.757 -16.673 536 2HB MET 2 2HB MET 2 -17.767 -49.095 -17.327 537 1HG MET 2 1HG MET 2 -18.345 -47.559 -14.806 538 2HG MET 2 2HG MET 2 -19.208 -47.440 -16.326 539 1HE MET 2 1HE MET 2 -21.859 -49.123 -14.052 540 2HE MET 2 2HE MET 2 -21.459 -47.744 -15.071 541 3HE MET 2 3HE MET 2 -20.672 -47.945 -13.507 542 H THR 3 H THR 3 -15.012 -47.699 -14.876 543 HA THR 3 HA THR 3 -15.801 -47.958 -12.042 544 HB THR 3 HB THR 3 -13.470 -48.642 -12.353 545 HG1 THR 3 HG1 THR 3 -13.218 -47.716 -10.459 546 1HG2 THR 3 1HG2 THR 3 -13.000 -45.820 -13.367 547 2HG2 THR 3 2HG2 THR 3 -12.982 -47.277 -14.364 548 3HG2 THR 3 3HG2 THR 3 -11.776 -47.057 -13.095 549 H ALA 4 H ALA 4 -16.033 -46.111 -10.837 550 HA ALA 4 HA ALA 4 -15.582 -43.491 -11.951 551 1HB ALA 4 1HB ALA 4 -18.429 -44.393 -11.348 552 2HB ALA 4 2HB ALA 4 -17.770 -44.018 -12.947 553 3HB ALA 4 3HB ALA 4 -17.908 -42.738 -11.736 554 H SER 5 H SER 5 -15.029 -45.375 -9.637 555 HA SER 5 HA SER 5 -16.298 -44.351 -7.322 556 1HB SER 5 1HB SER 5 -13.721 -45.932 -7.527 557 2HB SER 5 2HB SER 5 -14.756 -45.757 -6.108 558 HG SER 5 HG SER 5 -14.989 -47.733 -7.417 559 H ASP 6 H ASP 6 -15.731 -42.701 -5.998 560 HA ASP 6 HA ASP 6 -13.409 -41.083 -6.709 561 1HB ASP 6 1HB ASP 6 -15.579 -39.997 -6.091 562 2HB ASP 6 2HB ASP 6 -15.408 -40.689 -4.477 563 H ARG 7 H ARG 7 -11.506 -41.149 -5.644 564 HA ARG 7 HA ARG 7 -11.305 -42.554 -3.094 565 1HB ARG 7 1HB ARG 7 -9.361 -43.809 -3.862 566 2HB ARG 7 2HB ARG 7 -10.773 -44.208 -4.828 567 1HG ARG 7 1HG ARG 7 -8.688 -42.214 -5.713 568 2HG ARG 7 2HG ARG 7 -8.596 -43.928 -6.097 569 1HD ARG 7 1HD ARG 7 -10.651 -43.833 -7.344 570 2HD ARG 7 2HD ARG 7 -10.950 -42.178 -6.839 571 HE ARG 7 HE ARG 7 -8.428 -42.438 -8.189 572 1HH1 ARG 7 1HH1 ARG 7 -11.912 -42.287 -8.756 573 2HH1 ARG 7 2HH1 ARG 7 -11.726 -41.538 -10.318 574 1HH2 ARG 7 1HH2 ARG 7 -8.230 -41.476 -10.251 575 2HH2 ARG 7 2HH2 ARG 7 -9.654 -41.091 -11.178 576 H LEU 8 H LEU 8 -10.975 -39.730 -4.415 577 HA LEU 8 HA LEU 8 -8.243 -39.063 -3.823 578 1HB LEU 8 1HB LEU 8 -9.848 -37.957 -5.542 579 2HB LEU 8 2HB LEU 8 -10.460 -37.056 -4.172 580 HG LEU 8 HG LEU 8 -7.564 -37.007 -5.078 581 1HD1 LEU 8 1HD1 LEU 8 -9.749 -34.991 -5.583 582 2HD1 LEU 8 2HD1 LEU 8 -8.993 -36.037 -6.779 583 3HD1 LEU 8 3HD1 LEU 8 -8.045 -34.798 -5.981 584 1HD2 LEU 8 1HD2 LEU 8 -9.030 -35.217 -3.125 585 2HD2 LEU 8 2HD2 LEU 8 -7.355 -35.045 -3.664 586 3HD2 LEU 8 3HD2 LEU 8 -7.837 -36.450 -2.718 587 H GLY 9 H GLY 9 -7.874 -39.563 -1.683 588 1HA GLY 9 1HA GLY 9 -9.468 -38.132 0.341 589 2HA GLY 9 2HA GLY 9 -8.421 -39.509 0.642 590 H ALA 10 H ALA 10 -6.267 -38.452 -1.008 591 HA ALA 10 HA ALA 10 -5.023 -36.851 1.050 592 1HB ALA 10 1HB ALA 10 -3.788 -38.697 0.052 593 2HB ALA 10 2HB ALA 10 -2.964 -37.165 -0.248 594 3HB ALA 10 3HB ALA 10 -3.909 -37.936 -1.538 595 H ASP 11 H ASP 11 -5.313 -34.719 1.066 596 HA ASP 11 HA ASP 11 -6.242 -33.248 -1.224 597 1HB ASP 11 1HB ASP 11 -5.289 -32.317 1.499 598 2HB ASP 11 2HB ASP 11 -6.010 -31.259 0.280 599 HA PRO 12 HA PRO 12 -2.193 -32.145 -2.855 600 1HB PRO 12 1HB PRO 12 -3.768 -30.095 -4.315 601 2HB PRO 12 2HB PRO 12 -2.691 -31.355 -4.951 602 1HG PRO 12 1HG PRO 12 -5.365 -31.528 -5.199 603 2HG PRO 12 2HG PRO 12 -4.357 -32.963 -4.931 604 1HD PRO 12 1HD PRO 12 -6.069 -31.465 -2.985 605 2HD PRO 12 2HD PRO 12 -5.812 -33.220 -3.156 606 H THR 13 H THR 13 -4.651 -29.771 -1.993 607 HA THR 13 HA THR 13 -4.640 -27.964 -0.625 608 HB THR 13 HB THR 13 -1.871 -28.819 0.232 609 HG1 THR 13 HG1 THR 13 -3.259 -30.484 0.736 610 1HG2 THR 13 1HG2 THR 13 -2.381 -26.502 0.827 611 2HG2 THR 13 2HG2 THR 13 -2.377 -27.512 2.270 612 3HG2 THR 13 3HG2 THR 13 -3.905 -27.004 1.566 613 H GLN 14 H GLN 14 -4.168 -25.799 -0.847 614 HA GLN 14 HA GLN 14 -2.635 -25.022 -3.151 615 1HB GLN 14 1HB GLN 14 -3.943 -23.351 -1.018 616 2HB GLN 14 2HB GLN 14 -3.286 -22.712 -2.520 617 1HG GLN 14 1HG GLN 14 -4.945 -24.085 -3.759 618 2HG GLN 14 2HG GLN 14 -5.608 -24.619 -2.211 619 1HE2 GLN 14 2HE2 GLN 14 -5.231 -21.971 -4.429 620 2HE2 GLN 14 1HE2 GLN 14 -6.422 -20.917 -3.720 621 H ALA 15 H ALA 15 -0.712 -23.926 -3.216 622 HA ALA 15 HA ALA 15 1.042 -24.234 -0.909 623 1HB ALA 15 1HB ALA 15 1.611 -23.331 -3.735 624 2HB ALA 15 2HB ALA 15 1.835 -24.956 -3.099 625 3HB ALA 15 3HB ALA 15 2.822 -23.626 -2.497 626 H ALA 16 H ALA 16 -1.112 -22.112 -1.123 627 HA ALA 16 HA ALA 16 0.035 -19.561 -1.353 628 1HB ALA 16 1HB ALA 16 -1.894 -18.774 -0.038 629 2HB ALA 16 2HB ALA 16 -2.271 -20.457 0.395 630 3HB ALA 16 3HB ALA 16 -2.371 -19.918 -1.296 631 H SER 17 H SER 17 1.906 -19.153 -0.344 632 HA SER 17 HA SER 17 2.183 -19.847 2.499 633 1HB SER 17 1HB SER 17 3.856 -20.763 0.907 634 2HB SER 17 2HB SER 17 4.354 -19.119 0.510 635 HG SER 17 HG SER 17 4.317 -19.823 3.209 636 H SER 18 H SER 18 1.686 -18.203 3.797 637 HA SER 18 HA SER 18 2.808 -15.552 3.160 638 1HB SER 18 1HB SER 18 0.937 -14.692 4.725 639 2HB SER 18 2HB SER 18 0.455 -15.242 3.123 640 HG SER 18 HG SER 18 0.362 -16.813 5.511 641 HA PRO 19 HA PRO 19 5.450 -17.054 6.558 642 1HB PRO 19 1HB PRO 19 6.556 -14.339 5.975 643 2HB PRO 19 2HB PRO 19 7.403 -15.868 6.206 644 1HG PRO 19 1HG PRO 19 7.091 -14.859 3.765 645 2HG PRO 19 2HG PRO 19 6.948 -16.602 4.049 646 1HD PRO 19 1HD PRO 19 4.809 -14.580 3.565 647 2HD PRO 19 2HD PRO 19 4.892 -16.282 3.081 648 H GLY 20 H GLY 20 4.523 -13.624 6.365 649 1HA GLY 20 1HA GLY 20 3.365 -12.334 7.867 650 2HA GLY 20 2HA GLY 20 3.134 -13.761 8.884 651 H GLY 21 H GLY 21 4.072 -10.880 9.180 652 1HA GLY 21 1HA GLY 21 5.476 -11.184 11.570 653 2HA GLY 21 2HA GLY 21 6.674 -10.850 10.295 654 H ALA 22 H ALA 22 6.507 -8.836 12.209 655 HA ALA 22 HA ALA 22 4.675 -6.887 11.002 656 1HB ALA 22 1HB ALA 22 4.787 -5.690 13.150 657 2HB ALA 22 2HB ALA 22 5.887 -6.915 13.784 658 3HB ALA 22 3HB ALA 22 4.215 -7.346 13.390 659 H ARG 23 H ARG 23 5.616 -5.312 9.897 660 HA ARG 23 HA ARG 23 8.493 -4.770 10.336 661 1HB ARG 23 1HB ARG 23 8.911 -4.827 7.924 662 2HB ARG 23 2HB ARG 23 8.294 -6.381 8.476 663 1HG ARG 23 1HG ARG 23 6.003 -5.560 7.702 664 2HG ARG 23 2HG ARG 23 6.873 -4.269 6.889 665 1HD ARG 23 1HD ARG 23 6.472 -6.031 5.308 666 2HD ARG 23 2HD ARG 23 8.196 -6.026 5.665 667 HE ARG 23 HE ARG 23 7.750 -7.917 7.196 668 1HH1 ARG 23 1HH1 ARG 23 5.459 -7.289 4.600 669 2HH1 ARG 23 2HH1 ARG 23 4.814 -8.908 4.628 670 1HH2 ARG 23 1HH2 ARG 23 6.874 -10.042 7.197 671 2HH2 ARG 23 2HH2 ARG 23 5.612 -10.429 6.056 672 H ALA 24 H ALA 24 9.178 -2.711 9.733 673 HA ALA 24 HA ALA 24 7.021 -0.739 9.545 674 1HB ALA 24 1HB ALA 24 9.907 -0.366 10.336 675 2HB ALA 24 2HB ALA 24 8.541 -0.490 11.445 676 3HB ALA 24 3HB ALA 24 8.668 0.880 10.348 677 H VAL 25 H VAL 25 6.630 -0.055 7.565 678 HA VAL 25 HA VAL 25 8.848 0.111 5.619 679 HB VAL 25 HB VAL 25 7.094 0.112 3.830 680 1HG1 VAL 25 1HG1 VAL 25 6.594 -2.318 4.014 681 2HG1 VAL 25 2HG1 VAL 25 7.148 -2.289 5.685 682 3HG1 VAL 25 3HG1 VAL 25 8.281 -1.946 4.374 683 1HG2 VAL 25 1HG2 VAL 25 4.834 -0.708 4.467 684 2HG2 VAL 25 2HG2 VAL 25 5.184 0.903 5.085 685 3HG2 VAL 25 3HG2 VAL 25 5.258 -0.487 6.163 686 H SER 26 H SER 26 9.336 2.013 4.705 687 HA SER 26 HA SER 26 8.124 4.352 5.969 688 1HB SER 26 1HB SER 26 10.696 4.084 4.390 689 2HB SER 26 2HB SER 26 10.139 5.567 5.178 690 HG SER 26 HG SER 26 10.093 3.508 6.941 691 H ILE 27 H ILE 27 7.601 6.215 4.856 692 HA ILE 27 HA ILE 27 6.893 5.892 2.000 693 HB ILE 27 HB ILE 27 5.389 7.547 4.039 694 1HG1 ILE 27 1HG1 ILE 27 5.086 5.164 4.542 695 2HG1 ILE 27 2HG1 ILE 27 3.598 5.879 3.927 696 1HG2 ILE 27 1HG2 ILE 27 5.237 8.408 1.791 697 2HG2 ILE 27 2HG2 ILE 27 3.690 7.705 2.276 698 3HG2 ILE 27 3HG2 ILE 27 4.756 6.822 1.183 699 1HD1 ILE 27 1HD1 ILE 27 5.528 4.195 2.344 700 2HD1 ILE 27 2HD1 ILE 27 4.012 4.851 1.761 701 3HD1 ILE 27 3HD1 ILE 27 4.010 3.624 3.029 702 H VAL 28 H VAL 28 7.849 7.450 0.711 703 HA VAL 28 HA VAL 28 9.052 9.761 2.098 704 HB VAL 28 HB VAL 28 10.613 9.913 0.173 705 1HG1 VAL 28 1HG1 VAL 28 12.031 7.993 0.883 706 2HG1 VAL 28 2HG1 VAL 28 10.648 7.318 1.725 707 3HG1 VAL 28 3HG1 VAL 28 11.317 8.860 2.251 708 1HG2 VAL 28 1HG2 VAL 28 9.321 8.741 -1.528 709 2HG2 VAL 28 2HG2 VAL 28 9.440 7.238 -0.607 710 3HG2 VAL 28 3HG2 VAL 28 10.885 7.970 -1.297 711 H GLY 29 H GLY 29 7.633 11.378 1.937 712 1HA GLY 29 1HA GLY 29 6.609 13.175 0.859 713 2HA GLY 29 2HA GLY 29 6.975 12.427 -0.691 714 H ASN 30 H ASN 30 5.775 10.421 -1.176 715 HA ASN 30 HA ASN 30 3.594 9.554 0.400 716 1HB ASN 30 1HB ASN 30 1.716 10.095 -1.045 717 2HB ASN 30 2HB ASN 30 2.555 11.606 -0.680 718 1HD2 ASN 30 2HD2 ASN 30 0.785 11.014 -2.891 719 2HD2 ASN 30 1HD2 ASN 30 1.695 11.308 -4.324 720 H GLN 31 H GLN 31 6.030 8.658 -1.106 721 HA GLN 31 HA GLN 31 4.777 6.703 -2.900 722 1HB GLN 31 1HB GLN 31 5.987 8.316 -4.253 723 2HB GLN 31 2HB GLN 31 7.419 8.093 -3.268 724 1HG GLN 31 1HG GLN 31 7.441 5.695 -3.974 725 2HG GLN 31 2HG GLN 31 6.139 6.094 -5.101 726 1HE2 GLN 31 2HE2 GLN 31 7.399 5.474 -6.812 727 2HE2 GLN 31 1HE2 GLN 31 8.684 6.458 -7.413 728 H ILE 32 H ILE 32 5.061 4.660 -2.208 729 HA ILE 32 HA ILE 32 7.629 3.931 -0.969 730 HB ILE 32 HB ILE 32 5.649 3.580 0.487 731 1HG1 ILE 32 1HG1 ILE 32 6.956 1.001 -0.443 732 2HG1 ILE 32 2HG1 ILE 32 7.655 2.136 0.701 733 1HG2 ILE 32 1HG2 ILE 32 3.985 1.857 -0.059 734 2HG2 ILE 32 2HG2 ILE 32 4.759 1.581 -1.615 735 3HG2 ILE 32 3HG2 ILE 32 3.995 3.131 -1.277 736 1HD1 ILE 32 1HD1 ILE 32 5.153 0.506 1.126 737 2HD1 ILE 32 2HD1 ILE 32 5.782 1.734 2.236 738 3HD1 ILE 32 3HD1 ILE 32 6.729 0.291 1.891 739 H ASP 33 H ASP 33 8.536 1.876 -1.625 740 HA ASP 33 HA ASP 33 7.940 1.175 -4.393 741 1HB ASP 33 1HB ASP 33 10.296 1.529 -3.631 742 2HB ASP 33 2HB ASP 33 10.128 0.128 -2.584 743 H SER 34 H SER 34 7.264 -0.827 -5.061 744 HA SER 34 HA SER 34 5.429 -2.169 -3.404 745 1HB SER 34 1HB SER 34 5.352 -3.870 -5.294 746 2HB SER 34 2HB SER 34 5.051 -2.193 -5.769 747 HG SER 34 HG SER 34 7.281 -2.074 -6.406 748 H ARG 35 H ARG 35 8.792 -2.647 -3.895 749 HA ARG 35 HA ARG 35 8.902 -5.406 -3.201 750 1HB ARG 35 1HB ARG 35 10.668 -4.421 -4.519 751 2HB ARG 35 2HB ARG 35 11.075 -3.311 -3.222 752 1HG ARG 35 1HG ARG 35 12.014 -4.995 -1.897 753 2HG ARG 35 2HG ARG 35 11.207 -6.284 -2.800 754 1HD ARG 35 1HD ARG 35 12.581 -5.874 -4.722 755 2HD ARG 35 2HD ARG 35 13.330 -4.466 -3.940 756 HE ARG 35 HE ARG 35 13.770 -6.658 -2.261 757 1HH1 ARG 35 1HH1 ARG 35 14.556 -5.824 -5.582 758 2HH1 ARG 35 2HH1 ARG 35 16.098 -6.635 -5.559 759 1HH2 ARG 35 1HH2 ARG 35 15.756 -7.763 -2.239 760 2HH2 ARG 35 2HH2 ARG 35 16.771 -7.762 -3.644 761 H GLU 36 H GLU 36 9.128 -2.377 -1.412 762 HA GLU 36 HA GLU 36 10.094 -3.369 1.024 763 1HB GLU 36 1HB GLU 36 8.116 -1.113 0.648 764 2HB GLU 36 2HB GLU 36 9.171 -1.349 2.036 765 1HG GLU 36 1HG GLU 36 10.012 -0.678 -0.776 766 2HG GLU 36 2HG GLU 36 10.027 0.385 0.608 767 H LEU 37 H LEU 37 6.788 -3.085 -0.174 768 HA LEU 37 HA LEU 37 5.550 -4.131 2.178 769 1HB LEU 37 1HB LEU 37 4.527 -3.904 -0.669 770 2HB LEU 37 2HB LEU 37 3.525 -4.344 0.706 771 HG LEU 37 HG LEU 37 4.968 -1.706 0.434 772 1HD1 LEU 37 1HD1 LEU 37 3.225 -1.930 -1.269 773 2HD1 LEU 37 2HD1 LEU 37 2.773 -0.747 -0.038 774 3HD1 LEU 37 3HD1 LEU 37 2.052 -2.363 -0.018 775 1HD2 LEU 37 1HD2 LEU 37 2.901 -2.658 2.421 776 2HD2 LEU 37 2HD2 LEU 37 3.519 -1.010 2.300 777 3HD2 LEU 37 3HD2 LEU 37 4.606 -2.329 2.752 778 H PHE 38 H PHE 38 6.441 -5.549 -0.948 779 HA PHE 38 HA PHE 38 5.518 -8.188 -0.048 780 1HB PHE 38 1HB PHE 38 6.383 -7.264 -2.806 781 2HB PHE 38 2HB PHE 38 5.661 -8.829 -2.398 782 HD1 PHE 38 HD2 PHE 38 3.303 -8.763 -1.299 783 HD2 PHE 38 HD1 PHE 38 5.005 -5.525 -3.461 784 HE1 PHE 38 HE2 PHE 38 1.069 -7.809 -1.661 785 HE2 PHE 38 HE1 PHE 38 2.778 -4.544 -3.802 786 HZ PHE 38 HZ PHE 38 0.797 -5.699 -2.884 787 H THR 39 H THR 39 8.003 -6.935 0.908 788 HA THR 39 HA THR 39 10.230 -8.178 -0.304 789 HB THR 39 HB THR 39 10.503 -6.214 1.096 790 HG1 THR 39 HG1 THR 39 11.947 -8.494 1.376 791 1HG2 THR 39 1HG2 THR 39 10.323 -6.351 3.552 792 2HG2 THR 39 2HG2 THR 39 9.722 -8.011 3.404 793 3HG2 THR 39 3HG2 THR 39 8.780 -6.670 2.760 794 H VAL 40 H VAL 40 7.987 -9.198 2.196 795 HA VAL 40 HA VAL 40 9.468 -11.748 2.449 796 HB VAL 40 HB VAL 40 7.500 -10.488 4.367 797 1HG1 VAL 40 1HG1 VAL 40 8.965 -13.116 4.612 798 2HG1 VAL 40 2HG1 VAL 40 7.233 -12.901 4.321 799 3HG1 VAL 40 3HG1 VAL 40 7.932 -12.367 5.856 800 1HG2 VAL 40 1HG2 VAL 40 9.639 -9.405 4.497 801 2HG2 VAL 40 2HG2 VAL 40 10.475 -10.953 4.572 802 3HG2 VAL 40 3HG2 VAL 40 9.447 -10.438 5.913 803 H ASP 41 H ASP 41 6.113 -10.647 2.816 804 HA ASP 41 HA ASP 41 5.060 -13.096 1.782 805 1HB ASP 41 1HB ASP 41 3.528 -10.505 2.228 806 2HB ASP 41 2HB ASP 41 2.875 -12.137 2.169 807 H ARG 42 H ARG 42 3.011 -12.508 0.121 808 HA ARG 42 HA ARG 42 4.165 -10.956 -2.098 809 1HB ARG 42 1HB ARG 42 4.421 -13.451 -2.449 810 2HB ARG 42 2HB ARG 42 2.664 -13.565 -2.449 811 1HG ARG 42 1HG ARG 42 3.654 -13.551 -4.723 812 2HG ARG 42 2HG ARG 42 2.558 -12.196 -4.452 813 1HD ARG 42 1HD ARG 42 4.646 -11.611 -5.667 814 2HD ARG 42 2HD ARG 42 4.379 -10.670 -4.203 815 HE ARG 42 HE ARG 42 5.978 -12.426 -3.174 816 1HH1 ARG 42 1HH1 ARG 42 6.190 -11.260 -6.479 817 2HH1 ARG 42 2HH1 ARG 42 7.923 -11.415 -6.552 818 1HH2 ARG 42 1HH2 ARG 42 8.233 -12.607 -3.258 819 2HH2 ARG 42 2HH2 ARG 42 9.086 -12.193 -4.718 820 H GLU 43 H GLU 43 1.859 -11.124 0.116 821 HA GLU 43 HA GLU 43 -0.039 -9.611 -1.466 822 1HB GLU 43 1HB GLU 43 -0.905 -11.921 -1.521 823 2HB GLU 43 2HB GLU 43 -0.807 -11.993 0.220 824 1HG GLU 43 1HG GLU 43 -2.468 -10.141 0.352 825 2HG GLU 43 2HG GLU 43 -2.628 -10.249 -1.398 826 H ILE 44 H ILE 44 -0.932 -7.973 -0.351 827 HA ILE 44 HA ILE 44 -0.403 -7.769 2.543 828 HB ILE 44 HB ILE 44 -0.385 -5.563 0.461 829 1HG1 ILE 44 1HG1 ILE 44 1.692 -6.852 0.481 830 2HG1 ILE 44 2HG1 ILE 44 1.977 -5.263 1.183 831 1HG2 ILE 44 1HG2 ILE 44 0.188 -4.045 2.321 832 2HG2 ILE 44 2HG2 ILE 44 -0.081 -5.368 3.466 833 3HG2 ILE 44 3HG2 ILE 44 -1.426 -4.745 2.501 834 1HD1 ILE 44 1HD1 ILE 44 3.150 -7.009 2.400 835 2HD1 ILE 44 2HD1 ILE 44 1.617 -7.820 2.719 836 3HD1 ILE 44 3HD1 ILE 44 1.936 -6.232 3.412 837 H VAL 45 H VAL 45 -2.126 -7.129 3.782 838 HA VAL 45 HA VAL 45 -4.707 -6.866 2.406 839 HB VAL 45 HB VAL 45 -4.126 -7.513 5.309 840 1HG1 VAL 45 1HG1 VAL 45 -6.507 -8.047 5.491 841 2HG1 VAL 45 2HG1 VAL 45 -6.755 -7.579 3.808 842 3HG1 VAL 45 3HG1 VAL 45 -6.284 -6.372 4.988 843 1HG2 VAL 45 1HG2 VAL 45 -3.453 -9.336 3.818 844 2HG2 VAL 45 2HG2 VAL 45 -5.053 -9.315 3.080 845 3HG2 VAL 45 3HG2 VAL 45 -4.887 -9.777 4.772 846 H ILE 46 H ILE 46 -6.061 -5.169 2.905 847 HA ILE 46 HA ILE 46 -4.898 -2.914 4.368 848 HB ILE 46 HB ILE 46 -6.158 -2.686 1.632 849 1HG1 ILE 46 1HG1 ILE 46 -3.300 -2.169 2.520 850 2HG1 ILE 46 2HG1 ILE 46 -3.831 -3.524 1.525 851 1HG2 ILE 46 1HG2 ILE 46 -5.067 -0.545 3.469 852 2HG2 ILE 46 2HG2 ILE 46 -6.753 -0.786 3.038 853 3HG2 ILE 46 3HG2 ILE 46 -5.610 -0.266 1.805 854 1HD1 ILE 46 1HD1 ILE 46 -2.797 -1.872 0.147 855 2HD1 ILE 46 2HD1 ILE 46 -3.858 -0.620 0.764 856 3HD1 ILE 46 3HD1 ILE 46 -4.520 -1.931 -0.210 857 H ALA 47 H ALA 47 -6.272 -2.538 5.998 858 HA ALA 47 HA ALA 47 -9.067 -3.230 5.698 859 1HB ALA 47 1HB ALA 47 -7.881 -3.818 7.766 860 2HB ALA 47 2HB ALA 47 -9.234 -2.717 8.085 861 3HB ALA 47 3HB ALA 47 -7.580 -2.107 8.056 862 H HIS 48 H HIS 48 -10.718 -1.844 5.389 863 HA HIS 48 HA HIS 48 -10.408 0.975 6.080 864 1HB HIS 48 1HB HIS 48 -9.799 0.795 3.700 865 2HB HIS 48 2HB HIS 48 -11.365 0.081 3.355 866 HD1 HIS 48 HD1 HIS 48 -10.013 3.308 4.817 867 HD2 HIS 48 HD2 HIS 48 -13.254 1.899 2.642 868 HE1 HIS 48 HE1 HIS 48 -11.380 5.357 4.243 869 HE2 HIS 48 HE2 HIS 48 -13.468 4.413 3.166 870 H GLY 49 H GLY 49 -11.833 0.486 7.797 871 1HA GLY 49 1HA GLY 49 -13.964 0.637 8.678 872 2HA GLY 49 2HA GLY 49 -14.616 0.594 7.031 873 H ASP 50 H ASP 50 -15.813 -1.148 6.661 874 HA ASP 50 HA ASP 50 -15.422 -3.538 8.315 875 1HB ASP 50 1HB ASP 50 -17.707 -2.623 8.057 876 2HB ASP 50 2HB ASP 50 -17.615 -2.887 6.328 877 H ASP 51 H ASP 51 -14.831 -2.404 5.066 878 HA ASP 51 HA ASP 51 -14.837 -5.039 3.887 879 1HB ASP 51 1HB ASP 51 -15.445 -2.817 2.745 880 2HB ASP 51 2HB ASP 51 -13.713 -2.510 2.647 881 H ARG 52 H ARG 52 -13.007 -6.063 2.985 882 HA ARG 52 HA ARG 52 -10.421 -5.309 4.178 883 1HB ARG 52 1HB ARG 52 -11.490 -8.115 3.648 884 2HB ARG 52 2HB ARG 52 -9.864 -7.749 4.221 885 1HG ARG 52 1HG ARG 52 -12.464 -7.287 5.674 886 2HG ARG 52 2HG ARG 52 -11.181 -8.406 6.096 887 1HD ARG 52 1HD ARG 52 -9.659 -6.585 6.582 888 2HD ARG 52 2HD ARG 52 -10.857 -5.410 6.037 889 HE ARG 52 HE ARG 52 -11.138 -7.109 8.443 890 1HH1 ARG 52 1HH1 ARG 52 -11.776 -4.126 6.714 891 2HH1 ARG 52 2HH1 ARG 52 -12.488 -3.351 8.087 892 1HH2 ARG 52 1HH2 ARG 52 -12.064 -6.071 10.254 893 2HH2 ARG 52 2HH2 ARG 52 -12.646 -4.447 10.103 894 H TYR 53 H TYR 53 -8.992 -4.708 2.704 895 HA TYR 53 HA TYR 53 -9.439 -5.483 -0.111 896 1HB TYR 53 1HB TYR 53 -7.844 -3.208 1.101 897 2HB TYR 53 2HB TYR 53 -7.920 -3.555 -0.618 898 HD1 TYR 53 HD2 TYR 53 -10.002 -2.612 2.337 899 HD2 TYR 53 HD1 TYR 53 -9.696 -2.718 -1.929 900 HE1 TYR 53 HE2 TYR 53 -12.030 -1.243 2.150 901 HE2 TYR 53 HE1 TYR 53 -11.719 -1.328 -2.106 902 HH TYR 53 HH TYR 53 -13.725 -0.833 -0.722 903 H ARG 54 H ARG 54 -7.584 -6.102 -1.389 904 HA ARG 54 HA ARG 54 -5.260 -7.042 0.178 905 1HB ARG 54 1HB ARG 54 -6.695 -8.589 -1.987 906 2HB ARG 54 2HB ARG 54 -5.189 -9.066 -1.249 907 1HG ARG 54 1HG ARG 54 -6.388 -9.187 0.932 908 2HG ARG 54 2HG ARG 54 -7.884 -8.913 0.064 909 1HD ARG 54 1HD ARG 54 -7.369 -10.902 -1.346 910 2HD ARG 54 2HD ARG 54 -5.962 -11.212 -0.332 911 HE ARG 54 HE ARG 54 -8.621 -11.118 0.897 912 1HH1 ARG 54 1HH1 ARG 54 -5.714 -12.911 0.156 913 2HH1 ARG 54 2HH1 ARG 54 -6.242 -14.340 0.976 914 1HH2 ARG 54 1HH2 ARG 54 -9.278 -12.958 2.020 915 2HH2 ARG 54 2HH2 ARG 54 -8.265 -14.371 2.049 916 H LEU 55 H LEU 55 -3.638 -5.795 -0.559 917 HA LEU 55 HA LEU 55 -3.367 -5.203 -3.401 918 1HB LEU 55 1HB LEU 55 -2.862 -3.469 -1.717 919 2HB LEU 55 2HB LEU 55 -1.609 -4.486 -1.028 920 HG LEU 55 HG LEU 55 -0.389 -4.341 -3.211 921 1HD1 LEU 55 1HD1 LEU 55 -2.278 -3.816 -4.660 922 2HD1 LEU 55 2HD1 LEU 55 -1.001 -2.595 -4.806 923 3HD1 LEU 55 3HD1 LEU 55 -2.449 -2.256 -3.864 924 1HD2 LEU 55 1HD2 LEU 55 0.459 -2.093 -2.826 925 2HD2 LEU 55 2HD2 LEU 55 0.202 -2.935 -1.304 926 3HD2 LEU 55 3HD2 LEU 55 -0.954 -1.708 -1.840 927 H ARG 56 H ARG 56 -2.410 -6.724 -4.663 928 HA ARG 56 HA ARG 56 -0.573 -8.613 -3.353 929 1HB ARG 56 1HB ARG 56 -2.808 -9.656 -3.679 930 2HB ARG 56 2HB ARG 56 -2.664 -9.349 -5.404 931 1HG ARG 56 1HG ARG 56 -0.775 -10.836 -5.592 932 2HG ARG 56 2HG ARG 56 -0.725 -11.055 -3.832 933 1HD ARG 56 1HD ARG 56 -2.917 -12.136 -3.896 934 2HD ARG 56 2HD ARG 56 -2.997 -11.899 -5.639 935 HE ARG 56 HE ARG 56 -0.654 -13.280 -5.246 936 1HH1 ARG 56 1HH1 ARG 56 -3.997 -13.854 -4.404 937 2HH1 ARG 56 2HH1 ARG 56 -3.877 -15.577 -4.499 938 1HH2 ARG 56 1HH2 ARG 56 -0.482 -15.566 -5.376 939 2HH2 ARG 56 2HH2 ARG 56 -1.866 -16.557 -5.087 940 H LEU 57 H LEU 57 1.099 -9.415 -4.586 941 HA LEU 57 HA LEU 57 1.672 -7.883 -7.033 942 1HB LEU 57 1HB LEU 57 3.189 -7.973 -4.807 943 2HB LEU 57 2HB LEU 57 3.804 -9.410 -5.576 944 HG LEU 57 HG LEU 57 3.873 -6.594 -6.745 945 1HD1 LEU 57 1HD1 LEU 57 5.437 -6.919 -4.889 946 2HD1 LEU 57 2HD1 LEU 57 6.282 -6.742 -6.416 947 3HD1 LEU 57 3HD1 LEU 57 6.115 -8.338 -5.690 948 1HD2 LEU 57 1HD2 LEU 57 5.306 -7.563 -8.488 949 2HD2 LEU 57 2HD2 LEU 57 3.671 -8.234 -8.552 950 3HD2 LEU 57 3HD2 LEU 57 4.994 -9.179 -7.857 951 H THR 58 H THR 58 1.963 -8.970 -8.909 952 HA THR 58 HA THR 58 1.421 -11.827 -8.995 953 HB THR 58 HB THR 58 1.514 -11.522 -11.461 954 HG1 THR 58 HG1 THR 58 2.638 -9.125 -10.679 955 1HG2 THR 58 1HG2 THR 58 -0.413 -10.009 -11.667 956 2HG2 THR 58 2HG2 THR 58 -0.165 -9.481 -10.013 957 3HG2 THR 58 3HG2 THR 58 -0.618 -11.146 -10.336 958 H SER 59 H SER 59 2.920 -12.958 -10.868 959 HA SER 59 HA SER 59 5.500 -13.182 -9.705 960 1HB SER 59 1HB SER 59 4.511 -14.160 -12.387 961 2HB SER 59 2HB SER 59 5.970 -14.714 -11.559 962 HG SER 59 HG SER 59 4.269 -15.138 -9.776 963 H GLN 60 H GLN 60 6.108 -10.924 -9.741 964 HA GLN 60 HA GLN 60 7.592 -9.354 -10.377 965 1HB GLN 60 1HB GLN 60 8.062 -11.149 -12.761 966 2HB GLN 60 2HB GLN 60 9.023 -9.722 -12.382 967 1HG GLN 60 1HG GLN 60 9.766 -10.700 -10.309 968 2HG GLN 60 2HG GLN 60 8.703 -12.089 -10.520 969 1HE2 GLN 60 2HE2 GLN 60 10.568 -10.666 -13.152 970 2HE2 GLN 60 1HE2 GLN 60 11.615 -12.018 -13.370 971 H ASN 61 H ASN 61 5.112 -10.293 -12.639 972 HA ASN 61 HA ASN 61 5.394 -8.421 -14.659 973 1HB ASN 61 1HB ASN 61 3.823 -10.225 -14.867 974 2HB ASN 61 2HB ASN 61 2.876 -9.639 -13.518 975 1HD2 ASN 61 2HD2 ASN 61 1.018 -9.495 -14.704 976 2HD2 ASN 61 1HD2 ASN 61 0.761 -8.292 -15.916 977 H LYS 62 H LYS 62 2.935 -8.108 -12.122 978 HA LYS 62 HA LYS 62 3.614 -5.364 -11.567 979 1HB LYS 62 1HB LYS 62 1.487 -4.393 -12.282 980 2HB LYS 62 2HB LYS 62 2.321 -5.111 -13.667 981 1HG LYS 62 1HG LYS 62 0.858 -7.048 -13.588 982 2HG LYS 62 2HG LYS 62 0.051 -6.411 -12.147 983 1HD LYS 62 1HD LYS 62 -0.660 -4.421 -13.438 984 2HD LYS 62 2HD LYS 62 0.125 -5.093 -14.879 985 1HE LYS 62 1HE LYS 62 -1.430 -7.024 -14.764 986 2HE LYS 62 2HE LYS 62 -2.211 -6.300 -13.362 987 1HZ LYS 62 1HZ LYS 62 -2.055 -5.056 -16.058 988 2HZ LYS 62 2HZ LYS 62 -2.881 -4.434 -14.714 989 3HZ LYS 62 3HZ LYS 62 -3.414 -5.863 -15.451 990 H LEU 63 H LEU 63 1.193 -4.572 -10.429 991 HA LEU 63 HA LEU 63 0.495 -6.681 -8.521 992 1HB LEU 63 1HB LEU 63 0.566 -5.072 -6.626 993 2HB LEU 63 2HB LEU 63 2.150 -5.464 -7.274 994 HG LEU 63 HG LEU 63 0.725 -2.930 -8.105 995 1HD1 LEU 63 1HD1 LEU 63 2.610 -3.293 -5.775 996 2HD1 LEU 63 2HD1 LEU 63 0.887 -2.921 -5.652 997 3HD1 LEU 63 3HD1 LEU 63 1.997 -1.756 -6.386 998 1HD2 LEU 63 1HD2 LEU 63 3.023 -2.197 -8.581 999 2HD2 LEU 63 2HD2 LEU 63 2.630 -3.657 -9.466 1000 3HD2 LEU 63 3HD2 LEU 63 3.643 -3.747 -8.025 1001 H ILE 64 H ILE 64 -1.496 -6.040 -7.255 1002 HA ILE 64 HA ILE 64 -3.283 -4.255 -8.707 1003 HB ILE 64 HB ILE 64 -5.005 -6.165 -8.912 1004 1HG1 ILE 64 1HG1 ILE 64 -3.872 -8.415 -9.436 1005 2HG1 ILE 64 2HG1 ILE 64 -2.477 -7.779 -8.573 1006 1HG2 ILE 64 1HG2 ILE 64 -4.187 -6.799 -11.138 1007 2HG2 ILE 64 2HG2 ILE 64 -2.590 -6.159 -10.748 1008 3HG2 ILE 64 3HG2 ILE 64 -3.984 -5.076 -10.832 1009 1HD1 ILE 64 1HD1 ILE 64 -5.218 -8.144 -7.420 1010 2HD1 ILE 64 2HD1 ILE 64 -3.789 -7.582 -6.549 1011 3HD1 ILE 64 3HD1 ILE 64 -3.854 -9.225 -7.175 1012 H LEU 65 H LEU 65 -5.536 -4.367 -7.721 1013 HA LEU 65 HA LEU 65 -5.372 -4.910 -4.832 1014 1HB LEU 65 1HB LEU 65 -5.229 -2.468 -5.248 1015 2HB LEU 65 2HB LEU 65 -6.722 -2.539 -6.171 1016 HG LEU 65 HG LEU 65 -7.897 -3.268 -4.077 1017 1HD1 LEU 65 1HD1 LEU 65 -5.261 -2.633 -2.763 1018 2HD1 LEU 65 2HD1 LEU 65 -6.050 -4.206 -2.865 1019 3HD1 LEU 65 3HD1 LEU 65 -6.790 -2.909 -1.919 1020 1HD2 LEU 65 1HD2 LEU 65 -7.987 -0.947 -4.806 1021 2HD2 LEU 65 2HD2 LEU 65 -6.480 -0.608 -3.938 1022 3HD2 LEU 65 3HD2 LEU 65 -7.929 -1.054 -3.043 1023 H THR 66 H THR 66 -6.710 -6.531 -4.448 1024 HA THR 66 HA THR 66 -9.326 -6.613 -5.797 1025 HB THR 66 HB THR 66 -7.976 -8.373 -6.730 1026 HG1 THR 66 HG1 THR 66 -9.892 -9.317 -6.550 1027 1HG2 THR 66 1HG2 THR 66 -6.945 -10.145 -5.359 1028 2HG2 THR 66 2HG2 THR 66 -7.481 -9.307 -3.896 1029 3HG2 THR 66 3HG2 THR 66 -6.287 -8.551 -4.955 1030 H LYS 67 H LYS 67 -11.015 -7.669 -4.564 1031 HA LYS 67 HA LYS 67 -10.704 -8.378 -1.849 1032 1HB LYS 67 1HB LYS 67 -11.848 -6.577 -0.737 1033 2HB LYS 67 2HB LYS 67 -10.440 -5.942 -1.560 1034 1HG LYS 67 1HG LYS 67 -13.235 -5.766 -2.663 1035 2HG LYS 67 2HG LYS 67 -12.489 -4.512 -1.665 1036 1HD LYS 67 1HD LYS 67 -10.703 -4.278 -3.357 1037 2HD LYS 67 2HD LYS 67 -11.494 -5.510 -4.338 1038 1HE LYS 67 1HE LYS 67 -12.708 -2.869 -3.525 1039 2HE LYS 67 2HE LYS 67 -12.025 -3.219 -5.104 1040 1HZ LYS 67 1HZ LYS 67 -13.686 -4.879 -5.466 1041 2HZ LYS 67 2HZ LYS 67 -14.441 -3.416 -5.048 1042 3HZ LYS 67 3HZ LYS 67 -14.322 -4.666 -3.910 Start of MODEL 11 1 1H MET 1 1H MET 1 -22.777 52.259 -30.434 2 2H MET 1 2H MET 1 -22.156 53.255 -29.213 3 3H MET 1 3H MET 1 -23.074 53.909 -30.483 4 HA MET 1 HA MET 1 -24.329 53.767 -28.420 5 1HB MET 1 1HB MET 1 -25.388 53.559 -30.724 6 2HB MET 1 2HB MET 1 -25.356 51.806 -30.506 7 1HG MET 1 1HG MET 1 -26.852 51.980 -28.609 8 2HG MET 1 2HG MET 1 -26.816 53.733 -28.702 9 1HE MET 1 1HE MET 1 -29.530 52.089 -28.588 10 2HE MET 1 2HE MET 1 -30.489 52.894 -29.836 11 3HE MET 1 3HE MET 1 -29.492 53.853 -28.737 12 H MET 2 H MET 2 -22.140 51.497 -28.653 13 HA MET 2 HA MET 2 -23.285 49.851 -26.522 14 1HB MET 2 1HB MET 2 -22.523 47.762 -27.668 15 2HB MET 2 2HB MET 2 -23.823 48.577 -28.517 16 1HG MET 2 1HG MET 2 -20.901 48.674 -29.250 17 2HG MET 2 2HG MET 2 -22.148 47.767 -30.099 18 1HE MET 2 1HE MET 2 -21.196 50.676 -32.607 19 2HE MET 2 2HE MET 2 -21.408 48.937 -32.444 20 3HE MET 2 3HE MET 2 -20.139 49.766 -31.529 21 H THR 3 H THR 3 -21.600 48.567 -25.428 22 HA THR 3 HA THR 3 -18.856 49.479 -25.907 23 HB THR 3 HB THR 3 -19.841 50.953 -24.114 24 HG1 THR 3 HG1 THR 3 -18.070 50.770 -22.822 25 1HG2 THR 3 1HG2 THR 3 -20.072 48.364 -22.563 26 2HG2 THR 3 2HG2 THR 3 -21.411 49.343 -23.159 27 3HG2 THR 3 3HG2 THR 3 -20.350 49.996 -21.922 28 H ALA 4 H ALA 4 -17.249 48.073 -25.092 29 HA ALA 4 HA ALA 4 -18.073 45.313 -24.914 30 1HB ALA 4 1HB ALA 4 -16.066 45.876 -26.173 31 2HB ALA 4 2HB ALA 4 -15.655 44.839 -24.803 32 3HB ALA 4 3HB ALA 4 -15.325 46.577 -24.725 33 H SER 5 H SER 5 -19.370 45.640 -22.973 34 HA SER 5 HA SER 5 -18.209 46.408 -20.508 35 1HB SER 5 1HB SER 5 -20.279 45.197 -19.556 36 2HB SER 5 2HB SER 5 -20.576 46.533 -20.661 37 HG SER 5 HG SER 5 -20.347 44.020 -21.830 38 H ASP 6 H ASP 6 -16.373 45.355 -20.005 39 HA ASP 6 HA ASP 6 -16.559 42.444 -19.526 40 1HB ASP 6 1HB ASP 6 -15.271 42.730 -21.586 41 2HB ASP 6 2HB ASP 6 -14.220 43.907 -20.799 42 H ARG 7 H ARG 7 -16.612 42.405 -17.359 43 HA ARG 7 HA ARG 7 -14.329 43.611 -15.916 44 1HB ARG 7 1HB ARG 7 -17.085 42.925 -14.854 45 2HB ARG 7 2HB ARG 7 -15.756 43.540 -13.884 46 1HG ARG 7 1HG ARG 7 -17.142 45.010 -16.115 47 2HG ARG 7 2HG ARG 7 -17.355 45.303 -14.391 48 1HD ARG 7 1HD ARG 7 -14.969 45.905 -14.212 49 2HD ARG 7 2HD ARG 7 -14.791 45.655 -15.960 50 HE ARG 7 HE ARG 7 -16.869 47.524 -15.300 51 1HH1 ARG 7 1HH1 ARG 7 -13.407 47.176 -15.752 52 2HH1 ARG 7 2HH1 ARG 7 -13.172 48.846 -16.156 53 1HH2 ARG 7 1HH2 ARG 7 -16.531 49.738 -15.831 54 2HH2 ARG 7 2HH2 ARG 7 -14.929 50.300 -16.190 55 H LEU 8 H LEU 8 -14.602 41.124 -17.432 56 HA LEU 8 HA LEU 8 -15.045 38.987 -15.523 57 1HB LEU 8 1HB LEU 8 -14.181 38.896 -18.424 58 2HB LEU 8 2HB LEU 8 -14.642 37.520 -17.445 59 HG LEU 8 HG LEU 8 -16.469 39.791 -18.260 60 1HD1 LEU 8 1HD1 LEU 8 -16.410 36.892 -19.141 61 2HD1 LEU 8 2HD1 LEU 8 -15.926 38.277 -20.114 62 3HD1 LEU 8 3HD1 LEU 8 -17.616 38.094 -19.605 63 1HD2 LEU 8 1HD2 LEU 8 -18.262 38.408 -17.252 64 2HD2 LEU 8 2HD2 LEU 8 -17.107 39.002 -16.065 65 3HD2 LEU 8 3HD2 LEU 8 -17.032 37.314 -16.603 66 H GLY 9 H GLY 9 -13.521 37.169 -15.483 67 1HA GLY 9 1HA GLY 9 -10.823 37.279 -16.068 68 2HA GLY 9 2HA GLY 9 -11.019 37.966 -14.470 69 H ALA 10 H ALA 10 -9.702 35.458 -15.278 70 HA ALA 10 HA ALA 10 -11.257 33.208 -14.723 71 1HB ALA 10 1HB ALA 10 -9.140 32.070 -14.320 72 2HB ALA 10 2HB ALA 10 -8.316 33.622 -14.223 73 3HB ALA 10 3HB ALA 10 -9.039 33.107 -15.756 74 H ASP 11 H ASP 11 -12.028 32.334 -12.921 75 HA ASP 11 HA ASP 11 -11.685 33.706 -10.395 76 1HB ASP 11 1HB ASP 11 -13.914 32.854 -10.937 77 2HB ASP 11 2HB ASP 11 -13.260 31.228 -11.144 78 HA PRO 12 HA PRO 12 -7.990 31.352 -9.467 79 1HB PRO 12 1HB PRO 12 -8.664 32.297 -6.718 80 2HB PRO 12 2HB PRO 12 -7.121 32.385 -7.601 81 1HG PRO 12 1HG PRO 12 -8.638 34.569 -7.305 82 2HG PRO 12 2HG PRO 12 -7.806 34.237 -8.850 83 1HD PRO 12 1HD PRO 12 -10.705 33.889 -8.152 84 2HD PRO 12 2HD PRO 12 -9.962 34.441 -9.675 85 H THR 13 H THR 13 -8.436 29.201 -9.614 86 HA THR 13 HA THR 13 -10.208 27.895 -7.762 87 HB THR 13 HB THR 13 -9.342 25.793 -8.880 88 HG1 THR 13 HG1 THR 13 -7.275 26.710 -9.433 89 1HG2 THR 13 1HG2 THR 13 -10.385 26.244 -11.073 90 2HG2 THR 13 2HG2 THR 13 -10.361 27.972 -10.730 91 3HG2 THR 13 3HG2 THR 13 -11.351 26.886 -9.746 92 H GLN 14 H GLN 14 -9.548 27.742 -5.708 93 HA GLN 14 HA GLN 14 -6.727 27.809 -5.056 94 1HB GLN 14 1HB GLN 14 -9.144 27.662 -3.241 95 2HB GLN 14 2HB GLN 14 -7.487 27.993 -2.721 96 1HG GLN 14 1HG GLN 14 -9.068 29.747 -4.612 97 2HG GLN 14 2HG GLN 14 -8.928 30.020 -2.874 98 1HE2 GLN 14 2HE2 GLN 14 -7.966 32.008 -3.178 99 2HE2 GLN 14 1HE2 GLN 14 -6.328 32.180 -3.701 100 H ALA 15 H ALA 15 -5.693 25.969 -5.391 101 HA ALA 15 HA ALA 15 -6.559 23.607 -3.894 102 1HB ALA 15 1HB ALA 15 -5.831 22.137 -5.695 103 2HB ALA 15 2HB ALA 15 -5.408 23.538 -6.678 104 3HB ALA 15 3HB ALA 15 -7.082 23.231 -6.267 105 H ALA 16 H ALA 16 -5.024 23.082 -2.448 106 HA ALA 16 HA ALA 16 -2.453 24.348 -2.538 107 1HB ALA 16 1HB ALA 16 -3.626 24.043 -0.433 108 2HB ALA 16 2HB ALA 16 -2.070 23.212 -0.399 109 3HB ALA 16 3HB ALA 16 -3.560 22.284 -0.610 110 H SER 17 H SER 17 -0.624 23.575 -3.378 111 HA SER 17 HA SER 17 -0.447 20.952 -4.506 112 1HB SER 17 1HB SER 17 2.007 21.643 -4.807 113 2HB SER 17 2HB SER 17 0.817 22.670 -5.592 114 HG SER 17 HG SER 17 1.813 24.202 -4.558 115 H SER 18 H SER 18 -0.939 19.638 -2.694 116 HA SER 18 HA SER 18 0.340 19.860 -0.202 117 1HB SER 18 1HB SER 18 -0.673 17.545 0.168 118 2HB SER 18 2HB SER 18 -1.794 18.830 -0.253 119 HG SER 18 HG SER 18 -1.469 16.532 -1.465 120 HA PRO 19 HA PRO 19 4.147 17.725 -1.414 121 1HB PRO 19 1HB PRO 19 5.192 18.633 1.152 122 2HB PRO 19 2HB PRO 19 5.677 19.132 -0.477 123 1HG PRO 19 1HG PRO 19 4.390 20.795 1.255 124 2HG PRO 19 2HG PRO 19 4.237 20.909 -0.514 125 1HD PRO 19 1HD PRO 19 2.383 19.641 1.482 126 2HD PRO 19 2HD PRO 19 1.990 20.685 0.098 127 H GLY 20 H GLY 20 2.168 17.438 1.387 128 1HA GLY 20 1HA GLY 20 1.702 15.621 2.721 129 2HA GLY 20 2HA GLY 20 2.759 14.649 1.714 130 H GLY 21 H GLY 21 4.389 13.798 2.792 131 1HA GLY 21 1HA GLY 21 6.407 15.077 4.141 132 2HA GLY 21 2HA GLY 21 5.203 14.715 5.386 133 H ALA 22 H ALA 22 7.295 13.351 6.064 134 HA ALA 22 HA ALA 22 7.164 10.761 4.699 135 1HB ALA 22 1HB ALA 22 9.485 11.997 6.203 136 2HB ALA 22 2HB ALA 22 9.341 11.855 4.456 137 3HB ALA 22 3HB ALA 22 9.473 10.403 5.439 138 H ARG 23 H ARG 23 6.622 9.022 5.911 139 HA ARG 23 HA ARG 23 6.995 9.107 8.794 140 1HB ARG 23 1HB ARG 23 4.747 8.578 9.377 141 2HB ARG 23 2HB ARG 23 4.655 9.974 8.328 142 1HG ARG 23 1HG ARG 23 3.891 8.640 6.485 143 2HG ARG 23 2HG ARG 23 4.254 7.153 7.348 144 1HD ARG 23 1HD ARG 23 2.116 9.178 8.049 145 2HD ARG 23 2HD ARG 23 1.866 7.579 7.372 146 HE ARG 23 HE ARG 23 3.205 7.740 9.958 147 1HH1 ARG 23 1HH1 ARG 23 0.321 6.958 8.146 148 2HH1 ARG 23 2HH1 ARG 23 -0.467 6.222 9.514 149 1HH2 ARG 23 1HH2 ARG 23 2.201 6.656 11.687 150 2HH2 ARG 23 2HH2 ARG 23 0.606 5.999 11.483 151 H ALA 24 H ALA 24 6.429 6.898 9.767 152 HA ALA 24 HA ALA 24 7.055 4.753 7.828 153 1HB ALA 24 1HB ALA 24 8.853 5.178 9.448 154 2HB ALA 24 2HB ALA 24 8.159 3.567 9.669 155 3HB ALA 24 3HB ALA 24 7.745 4.885 10.776 156 H VAL 25 H VAL 25 5.260 3.681 7.386 157 HA VAL 25 HA VAL 25 3.238 3.181 9.456 158 HB VAL 25 HB VAL 25 1.851 2.325 7.579 159 1HG1 VAL 25 1HG1 VAL 25 1.677 4.663 8.252 160 2HG1 VAL 25 2HG1 VAL 25 1.458 4.492 6.519 161 3HG1 VAL 25 3HG1 VAL 25 2.990 5.086 7.150 162 1HG2 VAL 25 1HG2 VAL 25 2.607 2.736 5.268 163 2HG2 VAL 25 2HG2 VAL 25 3.604 1.549 6.090 164 3HG2 VAL 25 3HG2 VAL 25 4.201 3.194 5.887 165 H SER 26 H SER 26 2.632 1.038 10.025 166 HA SER 26 HA SER 26 4.833 -0.845 9.535 167 1HB SER 26 1HB SER 26 2.821 -0.715 11.793 168 2HB SER 26 2HB SER 26 4.102 -1.913 11.662 169 HG SER 26 HG SER 26 4.614 0.888 11.713 170 H ILE 27 H ILE 27 4.388 -3.077 9.416 171 HA ILE 27 HA ILE 27 1.780 -3.792 8.232 172 HB ILE 27 HB ILE 27 4.560 -4.739 7.476 173 1HG1 ILE 27 1HG1 ILE 27 3.734 -4.215 5.158 174 2HG1 ILE 27 2HG1 ILE 27 2.269 -3.549 5.872 175 1HG2 ILE 27 1HG2 ILE 27 1.925 -5.982 6.697 176 2HG2 ILE 27 2HG2 ILE 27 3.144 -6.690 7.772 177 3HG2 ILE 27 3HG2 ILE 27 3.516 -6.440 6.064 178 1HD1 ILE 27 1HD1 ILE 27 5.061 -2.538 6.314 179 2HD1 ILE 27 2HD1 ILE 27 3.572 -1.829 6.949 180 3HD1 ILE 27 3HD1 ILE 27 3.869 -1.838 5.221 181 H VAL 28 H VAL 28 0.732 -5.277 9.396 182 HA VAL 28 HA VAL 28 2.261 -6.720 11.485 183 HB VAL 28 HB VAL 28 -0.031 -7.184 12.486 184 1HG1 VAL 28 1HG1 VAL 28 1.460 -5.464 13.359 185 2HG1 VAL 28 2HG1 VAL 28 -0.212 -4.964 13.520 186 3HG1 VAL 28 3HG1 VAL 28 0.793 -4.281 12.230 187 1HG2 VAL 28 1HG2 VAL 28 -0.894 -5.076 10.483 188 2HG2 VAL 28 2HG2 VAL 28 -1.868 -5.682 11.820 189 3HG2 VAL 28 3HG2 VAL 28 -1.433 -6.774 10.524 190 H GLY 29 H GLY 29 2.989 -8.558 10.570 191 1HA GLY 29 1HA GLY 29 2.830 -10.781 9.925 192 2HA GLY 29 2HA GLY 29 1.091 -10.602 9.815 193 H ASN 30 H ASN 30 0.280 -9.387 7.992 194 HA ASN 30 HA ASN 30 2.025 -8.581 5.867 195 1HB ASN 30 1HB ASN 30 1.110 -9.989 4.096 196 2HB ASN 30 2HB ASN 30 1.820 -11.012 5.343 197 1HD2 ASN 30 2HD2 ASN 30 -0.252 -11.511 3.299 198 2HD2 ASN 30 1HD2 ASN 30 -1.618 -12.116 4.173 199 H GLN 31 H GLN 31 -0.098 -7.668 7.761 200 HA GLN 31 HA GLN 31 -2.129 -6.715 5.839 201 1HB GLN 31 1HB GLN 31 -2.989 -8.142 7.699 202 2HB GLN 31 2HB GLN 31 -2.387 -6.969 8.854 203 1HG GLN 31 1HG GLN 31 -3.897 -5.305 8.042 204 2HG GLN 31 2HG GLN 31 -4.412 -6.341 6.714 205 1HE2 GLN 31 2HE2 GLN 31 -4.652 -5.690 10.123 206 2HE2 GLN 31 1HE2 GLN 31 -5.997 -6.747 10.423 207 H ILE 32 H ILE 32 -2.951 -4.537 6.267 208 HA ILE 32 HA ILE 32 -1.373 -2.705 7.821 209 HB ILE 32 HB ILE 32 0.029 -2.943 5.766 210 1HG1 ILE 32 1HG1 ILE 32 -1.289 -0.222 6.078 211 2HG1 ILE 32 2HG1 ILE 32 0.018 -0.849 7.095 212 1HG2 ILE 32 1HG2 ILE 32 -2.361 -1.793 4.341 213 2HG2 ILE 32 2HG2 ILE 32 -1.730 -3.427 4.155 214 3HG2 ILE 32 3HG2 ILE 32 -0.765 -2.045 3.629 215 1HD1 ILE 32 1HD1 ILE 32 1.479 -0.906 5.148 216 2HD1 ILE 32 2HD1 ILE 32 0.863 0.704 5.453 217 3HD1 ILE 32 3HD1 ILE 32 0.184 -0.259 4.146 218 H ASP 33 H ASP 33 -2.431 -0.654 7.974 219 HA ASP 33 HA ASP 33 -5.249 -0.768 7.224 220 1HB ASP 33 1HB ASP 33 -4.554 -0.333 9.622 221 2HB ASP 33 2HB ASP 33 -3.925 1.219 9.070 222 H SER 34 H SER 34 -5.978 0.388 5.543 223 HA SER 34 HA SER 34 -4.413 1.796 3.775 224 1HB SER 34 1HB SER 34 -6.604 0.865 3.257 225 2HB SER 34 2HB SER 34 -7.390 2.040 4.297 226 HG SER 34 HG SER 34 -5.764 3.007 2.253 227 H ARG 35 H ARG 35 -6.191 3.061 6.566 228 HA ARG 35 HA ARG 35 -6.118 5.775 5.833 229 1HB ARG 35 1HB ARG 35 -7.676 4.959 7.495 230 2HB ARG 35 2HB ARG 35 -6.357 4.462 8.554 231 1HG ARG 35 1HG ARG 35 -6.583 7.346 7.753 232 2HG ARG 35 2HG ARG 35 -7.712 6.699 8.937 233 1HD ARG 35 1HD ARG 35 -4.713 6.552 9.174 234 2HD ARG 35 2HD ARG 35 -5.742 7.723 9.981 235 HE ARG 35 HE ARG 35 -6.612 5.114 10.561 236 1HH1 ARG 35 1HH1 ARG 35 -4.046 7.330 11.372 237 2HH1 ARG 35 2HH1 ARG 35 -3.744 6.631 12.930 238 1HH2 ARG 35 1HH2 ARG 35 -6.208 4.164 12.612 239 2HH2 ARG 35 2HH2 ARG 35 -4.981 4.842 13.642 240 H GLU 36 H GLU 36 -3.841 3.721 7.553 241 HA GLU 36 HA GLU 36 -2.123 5.726 8.452 242 1HB GLU 36 1HB GLU 36 -1.719 2.811 7.848 243 2HB GLU 36 2HB GLU 36 -0.367 3.815 8.344 244 1HG GLU 36 1HG GLU 36 -2.893 3.502 9.950 245 2HG GLU 36 2HG GLU 36 -1.460 2.487 10.156 246 H LEU 37 H LEU 37 -2.443 4.170 5.351 247 HA LEU 37 HA LEU 37 -0.060 5.322 4.240 248 1HB LEU 37 1HB LEU 37 -2.505 4.122 2.924 249 2HB LEU 37 2HB LEU 37 -1.066 4.611 2.049 250 HG LEU 37 HG LEU 37 -1.143 2.458 4.168 251 1HD1 LEU 37 1HD1 LEU 37 -2.361 1.819 2.125 252 2HD1 LEU 37 2HD1 LEU 37 -0.886 0.878 2.361 253 3HD1 LEU 37 3HD1 LEU 37 -0.919 2.197 1.176 254 1HD2 LEU 37 1HD2 LEU 37 1.067 3.304 2.290 255 2HD2 LEU 37 2HD2 LEU 37 1.118 1.926 3.393 256 3HD2 LEU 37 3HD2 LEU 37 1.030 3.564 4.042 257 H PHE 38 H PHE 38 -3.544 6.027 3.901 258 HA PHE 38 HA PHE 38 -3.025 8.310 2.236 259 1HB PHE 38 1HB PHE 38 -5.566 7.197 3.411 260 2HB PHE 38 2HB PHE 38 -5.537 8.631 2.395 261 HD1 PHE 38 HD2 PHE 38 -4.472 8.401 0.077 262 HD2 PHE 38 HD1 PHE 38 -5.722 5.081 2.428 263 HE1 PHE 38 HE2 PHE 38 -4.559 7.012 -1.943 264 HE2 PHE 38 HE1 PHE 38 -5.812 3.684 0.421 265 HZ PHE 38 HZ PHE 38 -5.240 4.645 -1.767 266 H THR 39 H THR 39 -2.813 7.951 5.514 267 HA THR 39 HA THR 39 -3.843 10.541 6.224 268 HB THR 39 HB THR 39 -3.584 8.552 7.845 269 HG1 THR 39 HG1 THR 39 -2.474 11.070 8.638 270 1HG2 THR 39 1HG2 THR 39 -0.734 9.568 7.910 271 2HG2 THR 39 2HG2 THR 39 -1.254 7.988 7.299 272 3HG2 THR 39 3HG2 THR 39 -1.427 8.380 9.008 273 H VAL 40 H VAL 40 -1.050 9.398 4.696 274 HA VAL 40 HA VAL 40 0.673 11.594 5.423 275 HB VAL 40 HB VAL 40 0.945 9.902 2.915 276 1HG1 VAL 40 1HG1 VAL 40 3.328 10.427 3.117 277 2HG1 VAL 40 2HG1 VAL 40 2.989 11.386 4.562 278 3HG1 VAL 40 3HG1 VAL 40 2.361 11.899 3.006 279 1HG2 VAL 40 1HG2 VAL 40 0.721 8.414 4.844 280 2HG2 VAL 40 2HG2 VAL 40 2.009 9.292 5.682 281 3HG2 VAL 40 3HG2 VAL 40 2.373 8.374 4.209 282 H ASP 41 H ASP 41 -1.033 10.776 2.239 283 HA ASP 41 HA ASP 41 -2.313 13.346 2.384 284 1HB ASP 41 1HB ASP 41 -0.294 13.971 1.165 285 2HB ASP 41 2HB ASP 41 -0.449 12.556 0.132 286 H ARG 42 H ARG 42 -3.972 13.396 0.507 287 HA ARG 42 HA ARG 42 -5.500 11.043 0.693 288 1HB ARG 42 1HB ARG 42 -6.418 13.348 0.433 289 2HB ARG 42 2HB ARG 42 -5.852 13.336 -1.228 290 1HG ARG 42 1HG ARG 42 -7.387 11.529 -1.775 291 2HG ARG 42 2HG ARG 42 -7.905 11.447 -0.084 292 1HD ARG 42 1HD ARG 42 -8.202 13.833 -1.886 293 2HD ARG 42 2HD ARG 42 -9.506 12.712 -1.482 294 HE ARG 42 HE ARG 42 -8.990 13.453 0.915 295 1HH1 ARG 42 1HH1 ARG 42 -8.632 15.550 -1.860 296 2HH1 ARG 42 2HH1 ARG 42 -8.851 17.006 -0.934 297 1HH2 ARG 42 1HH2 ARG 42 -9.284 15.333 2.122 298 2HH2 ARG 42 2HH2 ARG 42 -9.234 16.879 1.334 299 H GLU 43 H GLU 43 -2.846 11.523 -1.230 300 HA GLU 43 HA GLU 43 -3.684 9.327 -2.989 301 1HB GLU 43 1HB GLU 43 -3.906 11.307 -4.378 302 2HB GLU 43 2HB GLU 43 -2.300 11.860 -3.908 303 1HG GLU 43 1HG GLU 43 -1.308 9.939 -5.054 304 2HG GLU 43 2HG GLU 43 -2.911 9.366 -5.488 305 H ILE 44 H ILE 44 -2.201 7.756 -3.216 306 HA ILE 44 HA ILE 44 0.496 8.228 -2.139 307 HB ILE 44 HB ILE 44 -1.186 5.698 -2.130 308 1HG1 ILE 44 1HG1 ILE 44 -1.888 7.322 -0.416 309 2HG1 ILE 44 2HG1 ILE 44 -1.080 5.947 0.343 310 1HG2 ILE 44 1HG2 ILE 44 0.660 4.637 -0.881 311 2HG2 ILE 44 2HG2 ILE 44 1.612 6.114 -1.063 312 3HG2 ILE 44 3HG2 ILE 44 1.186 5.164 -2.481 313 1HD1 ILE 44 1HD1 ILE 44 0.167 8.634 -0.185 314 2HD1 ILE 44 2HD1 ILE 44 0.973 7.265 0.580 315 3HD1 ILE 44 3HD1 ILE 44 -0.417 8.038 1.363 316 H VAL 45 H VAL 45 2.186 7.742 -3.408 317 HA VAL 45 HA VAL 45 1.665 6.517 -6.024 318 HB VAL 45 HB VAL 45 4.107 8.029 -5.057 319 1HG1 VAL 45 1HG1 VAL 45 4.807 8.029 -7.410 320 2HG1 VAL 45 2HG1 VAL 45 3.400 7.051 -7.834 321 3HG1 VAL 45 3HG1 VAL 45 4.670 6.392 -6.789 322 1HG2 VAL 45 1HG2 VAL 45 1.880 8.899 -6.905 323 2HG2 VAL 45 2HG2 VAL 45 3.334 9.825 -6.560 324 3HG2 VAL 45 3HG2 VAL 45 2.185 9.504 -5.270 325 H ILE 46 H ILE 46 2.834 4.694 -6.687 326 HA ILE 46 HA ILE 46 4.343 3.279 -4.569 327 HB ILE 46 HB ILE 46 2.122 2.027 -6.217 328 1HG1 ILE 46 1HG1 ILE 46 2.219 2.645 -3.241 329 2HG1 ILE 46 2HG1 ILE 46 1.213 3.460 -4.433 330 1HG2 ILE 46 1HG2 ILE 46 3.923 0.450 -5.789 331 2HG2 ILE 46 2HG2 ILE 46 2.531 0.029 -4.803 332 3HG2 ILE 46 3HG2 ILE 46 3.894 0.862 -4.066 333 1HD1 ILE 46 1HD1 ILE 46 -0.064 1.852 -3.143 334 2HD1 ILE 46 2HD1 ILE 46 0.992 0.557 -3.672 335 3HD1 ILE 46 3HD1 ILE 46 -0.017 1.404 -4.836 336 H ALA 47 H ALA 47 6.331 3.107 -5.505 337 HA ALA 47 HA ALA 47 6.586 2.737 -8.365 338 1HB ALA 47 1HB ALA 47 8.678 2.813 -6.211 339 2HB ALA 47 2HB ALA 47 8.148 4.194 -7.170 340 3HB ALA 47 3HB ALA 47 8.987 2.850 -7.946 341 H HIS 48 H HIS 48 7.006 0.858 -9.402 342 HA HIS 48 HA HIS 48 7.906 -1.469 -7.869 343 1HB HIS 48 1HB HIS 48 5.463 -1.672 -7.836 344 2HB HIS 48 2HB HIS 48 5.391 -1.461 -9.568 345 HD1 HIS 48 HD1 HIS 48 6.093 -4.022 -6.960 346 HD2 HIS 48 HD2 HIS 48 6.176 -3.706 -11.100 347 HE1 HIS 48 HE1 HIS 48 6.259 -6.376 -7.811 348 HE2 HIS 48 HE2 HIS 48 6.562 -6.118 -10.302 349 H GLY 49 H GLY 49 9.881 -1.409 -9.021 350 1HA GLY 49 1HA GLY 49 11.165 -2.452 -10.622 351 2HA GLY 49 2HA GLY 49 9.702 -2.668 -11.596 352 H ASP 50 H ASP 50 9.407 -1.357 -13.294 353 HA ASP 50 HA ASP 50 11.153 1.006 -13.501 354 1HB ASP 50 1HB ASP 50 11.199 0.731 -15.826 355 2HB ASP 50 2HB ASP 50 11.179 -0.945 -15.249 356 H ASP 51 H ASP 51 7.833 0.046 -13.165 357 HA ASP 51 HA ASP 51 6.887 2.520 -14.383 358 1HB ASP 51 1HB ASP 51 5.901 0.402 -15.143 359 2HB ASP 51 2HB ASP 51 5.391 0.039 -13.500 360 H ARG 52 H ARG 52 4.938 3.464 -13.195 361 HA ARG 52 HA ARG 52 5.374 3.499 -10.276 362 1HB ARG 52 1HB ARG 52 5.034 5.945 -12.038 363 2HB ARG 52 2HB ARG 52 5.132 5.942 -10.275 364 1HG ARG 52 1HG ARG 52 7.323 5.036 -12.141 365 2HG ARG 52 2HG ARG 52 7.241 6.610 -11.347 366 1HD ARG 52 1HD ARG 52 7.452 5.618 -9.174 367 2HD ARG 52 2HD ARG 52 7.306 3.992 -9.870 368 HE ARG 52 HE ARG 52 9.451 4.489 -11.022 369 1HH1 ARG 52 1HH1 ARG 52 8.626 6.207 -8.095 370 2HH1 ARG 52 2HH1 ARG 52 10.265 6.538 -7.661 371 1HH2 ARG 52 1HH2 ARG 52 11.635 4.912 -10.458 372 2HH2 ARG 52 2HH2 ARG 52 11.989 5.800 -9.005 373 H TYR 53 H TYR 53 3.560 3.249 -9.215 374 HA TYR 53 HA TYR 53 1.024 3.389 -10.677 375 1HB TYR 53 1HB TYR 53 1.800 1.797 -8.214 376 2HB TYR 53 2HB TYR 53 0.170 1.864 -8.866 377 HD1 TYR 53 HD1 TYR 53 3.664 0.882 -9.764 378 HD2 TYR 53 HD2 TYR 53 -0.477 0.371 -10.562 379 HE1 TYR 53 HE1 TYR 53 4.182 -0.999 -11.261 380 HE2 TYR 53 HE2 TYR 53 0.021 -1.501 -12.059 381 HH TYR 53 HH TYR 53 1.962 -2.289 -13.431 382 H ARG 54 H ARG 54 -0.874 3.969 -9.303 383 HA ARG 54 HA ARG 54 -0.253 5.840 -7.120 384 1HB ARG 54 1HB ARG 54 -2.016 6.365 -9.507 385 2HB ARG 54 2HB ARG 54 -2.133 7.308 -8.030 386 1HG ARG 54 1HG ARG 54 0.152 8.080 -8.311 387 2HG ARG 54 2HG ARG 54 0.352 7.071 -9.740 388 1HD ARG 54 1HD ARG 54 -1.275 8.345 -10.977 389 2HD ARG 54 2HD ARG 54 -1.753 9.227 -9.523 390 HE ARG 54 HE ARG 54 0.662 10.053 -9.592 391 1HH1 ARG 54 1HH1 ARG 54 -1.226 9.300 -12.429 392 2HH1 ARG 54 2HH1 ARG 54 -0.443 10.480 -13.427 393 1HH2 ARG 54 1HH2 ARG 54 1.663 11.631 -10.898 394 2HH2 ARG 54 2HH2 ARG 54 1.193 11.832 -12.550 395 H LEU 55 H LEU 55 -1.141 4.984 -5.387 396 HA LEU 55 HA LEU 55 -3.742 3.668 -5.541 397 1HB LEU 55 1HB LEU 55 -1.842 2.710 -4.203 398 2HB LEU 55 2HB LEU 55 -1.942 4.104 -3.144 399 HG LEU 55 HG LEU 55 -4.322 3.413 -2.643 400 1HD1 LEU 55 1HD1 LEU 55 -3.496 0.856 -4.018 401 2HD1 LEU 55 2HD1 LEU 55 -4.698 2.013 -4.602 402 3HD1 LEU 55 3HD1 LEU 55 -4.982 1.132 -3.104 403 1HD2 LEU 55 1HD2 LEU 55 -2.158 1.437 -1.898 404 2HD2 LEU 55 2HD2 LEU 55 -3.693 1.683 -1.065 405 3HD2 LEU 55 3HD2 LEU 55 -2.489 2.965 -1.088 406 H ARG 56 H ARG 56 -5.567 4.900 -5.201 407 HA ARG 56 HA ARG 56 -5.175 7.484 -3.827 408 1HB ARG 56 1HB ARG 56 -5.190 7.862 -6.245 409 2HB ARG 56 2HB ARG 56 -6.737 7.049 -6.390 410 1HG ARG 56 1HG ARG 56 -7.752 8.814 -4.932 411 2HG ARG 56 2HG ARG 56 -6.196 9.636 -4.922 412 1HD ARG 56 1HD ARG 56 -7.656 8.985 -7.471 413 2HD ARG 56 2HD ARG 56 -7.946 10.469 -6.548 414 HE ARG 56 HE ARG 56 -5.153 10.030 -7.199 415 1HH1 ARG 56 1HH1 ARG 56 -8.207 11.367 -8.310 416 2HH1 ARG 56 2HH1 ARG 56 -7.466 12.435 -9.464 417 1HH2 ARG 56 1HH2 ARG 56 -4.181 11.462 -8.688 418 2HH2 ARG 56 2HH2 ARG 56 -5.176 12.485 -9.663 419 H LEU 57 H LEU 57 -6.929 8.317 -2.691 420 HA LEU 57 HA LEU 57 -9.007 6.344 -2.027 421 1HB LEU 57 1HB LEU 57 -7.297 7.547 -0.334 422 2HB LEU 57 2HB LEU 57 -8.513 8.821 -0.395 423 HG LEU 57 HG LEU 57 -8.964 5.960 0.493 424 1HD1 LEU 57 1HD1 LEU 57 -8.777 8.519 2.094 425 2HD1 LEU 57 2HD1 LEU 57 -7.618 7.173 2.090 426 3HD1 LEU 57 3HD1 LEU 57 -9.251 6.939 2.729 427 1HD2 LEU 57 1HD2 LEU 57 -10.860 8.305 0.532 428 2HD2 LEU 57 2HD2 LEU 57 -11.150 6.724 1.278 429 3HD2 LEU 57 3HD2 LEU 57 -11.004 6.864 -0.472 430 H THR 58 H THR 58 -11.167 6.911 -2.248 431 HA THR 58 HA THR 58 -11.723 9.293 -3.862 432 HB THR 58 HB THR 58 -14.031 8.267 -3.981 433 HG1 THR 58 HG1 THR 58 -12.961 5.900 -2.967 434 1HG2 THR 58 1HG2 THR 58 -13.404 6.395 -5.445 435 2HG2 THR 58 2HG2 THR 58 -11.754 6.462 -4.810 436 3HG2 THR 58 3HG2 THR 58 -12.408 7.815 -5.751 437 H SER 59 H SER 59 -14.107 10.175 -3.200 438 HA SER 59 HA SER 59 -13.729 11.613 -0.795 439 1HB SER 59 1HB SER 59 -16.305 11.204 -2.364 440 2HB SER 59 2HB SER 59 -15.946 12.511 -1.226 441 HG SER 59 HG SER 59 -15.233 13.505 -2.940 442 H GLN 60 H GLN 60 -13.320 9.808 0.674 443 HA GLN 60 HA GLN 60 -13.871 8.619 2.533 444 1HB GLN 60 1HB GLN 60 -15.270 10.727 2.864 445 2HB GLN 60 2HB GLN 60 -16.643 9.799 2.266 446 1HG GLN 60 1HG GLN 60 -16.245 8.165 4.127 447 2HG GLN 60 2HG GLN 60 -15.034 9.274 4.773 448 1HE2 GLN 60 2HE2 GLN 60 -15.729 11.342 5.471 449 2HE2 GLN 60 1HE2 GLN 60 -17.344 11.606 6.010 450 H ASN 61 H ASN 61 -14.623 7.595 -0.279 451 HA ASN 61 HA ASN 61 -16.868 5.833 0.377 452 1HB ASN 61 1HB ASN 61 -16.803 7.286 -1.744 453 2HB ASN 61 2HB ASN 61 -15.586 6.175 -2.341 454 1HD2 ASN 61 2HD2 ASN 61 -16.179 4.115 -2.925 455 2HD2 ASN 61 1HD2 ASN 61 -17.826 3.624 -3.107 456 H LYS 62 H LYS 62 -13.874 5.449 -1.533 457 HA LYS 62 HA LYS 62 -12.924 3.281 0.056 458 1HB LYS 62 1HB LYS 62 -13.054 1.515 -1.715 459 2HB LYS 62 2HB LYS 62 -14.587 1.959 -1.001 460 1HG LYS 62 1HG LYS 62 -15.132 1.770 -3.233 461 2HG LYS 62 2HG LYS 62 -14.839 3.509 -3.052 462 1HD LYS 62 1HD LYS 62 -12.849 3.439 -4.233 463 2HD LYS 62 2HD LYS 62 -12.560 1.732 -3.868 464 1HE LYS 62 1HE LYS 62 -13.144 2.080 -6.234 465 2HE LYS 62 2HE LYS 62 -14.296 1.047 -5.415 466 1HZ LYS 62 1HZ LYS 62 -14.676 3.916 -6.042 467 2HZ LYS 62 2HZ LYS 62 -15.771 2.939 -5.194 468 3HZ LYS 62 3HZ LYS 62 -15.436 2.611 -6.815 469 H LEU 63 H LEU 63 -11.262 2.030 -1.818 470 HA LEU 63 HA LEU 63 -9.651 4.272 -2.842 471 1HB LEU 63 1HB LEU 63 -7.604 3.315 -2.057 472 2HB LEU 63 2HB LEU 63 -8.693 3.560 -0.690 473 HG LEU 63 HG LEU 63 -8.340 0.874 -2.009 474 1HD1 LEU 63 1HD1 LEU 63 -6.146 1.598 -1.287 475 2HD1 LEU 63 2HD1 LEU 63 -6.740 0.334 -0.208 476 3HD1 LEU 63 3HD1 LEU 63 -6.788 2.011 0.316 477 1HD2 LEU 63 1HD2 LEU 63 -10.319 1.121 -0.591 478 2HD2 LEU 63 2HD2 LEU 63 -9.303 1.668 0.736 479 3HD2 LEU 63 3HD2 LEU 63 -9.150 0.026 0.129 480 H ILE 64 H ILE 64 -8.040 3.622 -4.459 481 HA ILE 64 HA ILE 64 -8.669 1.157 -5.906 482 HB ILE 64 HB ILE 64 -8.865 2.547 -8.077 483 1HG1 ILE 64 1HG1 ILE 64 -10.109 4.758 -7.631 484 2HG1 ILE 64 2HG1 ILE 64 -9.429 4.692 -6.017 485 1HG2 ILE 64 1HG2 ILE 64 -10.673 1.216 -7.158 486 2HG2 ILE 64 2HG2 ILE 64 -11.278 2.710 -7.864 487 3HG2 ILE 64 3HG2 ILE 64 -11.135 2.556 -6.114 488 1HD1 ILE 64 1HD1 ILE 64 -8.182 6.128 -7.591 489 2HD1 ILE 64 2HD1 ILE 64 -7.816 4.711 -8.567 490 3HD1 ILE 64 3HD1 ILE 64 -7.196 4.831 -6.923 491 H LEU 65 H LEU 65 -7.299 0.998 -7.911 492 HA LEU 65 HA LEU 65 -4.618 2.135 -7.431 493 1HB LEU 65 1HB LEU 65 -4.795 -0.343 -7.169 494 2HB LEU 65 2HB LEU 65 -5.367 -0.474 -8.806 495 HG LEU 65 HG LEU 65 -2.945 -1.093 -8.447 496 1HD1 LEU 65 1HD1 LEU 65 -2.148 -0.108 -10.470 497 2HD1 LEU 65 2HD1 LEU 65 -3.341 1.185 -10.366 498 3HD1 LEU 65 3HD1 LEU 65 -3.859 -0.473 -10.670 499 1HD2 LEU 65 1HD2 LEU 65 -1.314 0.692 -8.199 500 2HD2 LEU 65 2HD2 LEU 65 -2.410 0.636 -6.813 501 3HD2 LEU 65 3HD2 LEU 65 -2.614 1.878 -8.051 502 H THR 66 H THR 66 -3.527 2.921 -9.343 503 HA THR 66 HA THR 66 -4.809 3.161 -11.815 504 HB THR 66 HB THR 66 -6.443 4.580 -10.607 505 HG1 THR 66 HG1 THR 66 -5.120 6.575 -11.973 506 1HG2 THR 66 1HG2 THR 66 -4.052 6.297 -9.902 507 2HG2 THR 66 2HG2 THR 66 -5.058 5.380 -8.767 508 3HG2 THR 66 3HG2 THR 66 -5.734 6.749 -9.652 509 H LYS 67 H LYS 67 -3.744 5.138 -13.035 510 HA LYS 67 HA LYS 67 -1.519 6.396 -11.850 511 1HB LYS 67 1HB LYS 67 0.287 5.533 -13.284 512 2HB LYS 67 2HB LYS 67 -0.365 4.296 -12.225 513 1HG LYS 67 1HG LYS 67 -1.493 3.236 -14.051 514 2HG LYS 67 2HG LYS 67 -1.118 4.585 -15.125 515 1HD LYS 67 1HD LYS 67 1.290 4.104 -14.848 516 2HD LYS 67 2HD LYS 67 0.885 2.702 -13.876 517 1HE LYS 67 1HE LYS 67 -0.260 1.686 -15.771 518 2HE LYS 67 2HE LYS 67 0.014 3.131 -16.754 519 1HZ LYS 67 1HZ LYS 67 2.193 1.446 -15.631 520 2HZ LYS 67 2HZ LYS 67 2.359 2.755 -16.677 521 3HZ LYS 67 3HZ LYS 67 1.618 1.343 -17.217 522 1H MET 1 1H MET 1 -3.666 -63.639 32.212 523 2H MET 1 2H MET 1 -4.345 -62.383 33.134 524 3H MET 1 3H MET 1 -2.814 -63.019 33.519 525 HA MET 1 HA MET 1 -1.868 -62.181 31.508 526 1HB MET 1 1HB MET 1 -4.596 -60.946 30.956 527 2HB MET 1 2HB MET 1 -3.155 -60.849 29.964 528 1HG MET 1 1HG MET 1 -4.712 -62.396 28.999 529 2HG MET 1 2HG MET 1 -3.277 -63.257 29.550 530 1HE MET 1 1HE MET 1 -4.529 -65.564 29.431 531 2HE MET 1 2HE MET 1 -6.003 -64.785 28.841 532 3HE MET 1 3HE MET 1 -6.072 -65.922 30.199 533 H MET 2 H MET 2 -0.957 -60.096 31.475 534 HA MET 2 HA MET 2 -1.354 -58.610 33.924 535 1HB MET 2 1HB MET 2 0.618 -57.279 33.139 536 2HB MET 2 2HB MET 2 0.922 -59.018 33.263 537 1HG MET 2 1HG MET 2 0.269 -57.563 30.698 538 2HG MET 2 2HG MET 2 1.888 -57.951 31.246 539 1HE MET 2 1HE MET 2 1.360 -60.465 28.266 540 2HE MET 2 2HE MET 2 2.435 -59.255 28.961 541 3HE MET 2 3HE MET 2 0.839 -58.791 28.386 542 H THR 3 H THR 3 -1.244 -56.093 33.654 543 HA THR 3 HA THR 3 -3.720 -55.295 32.630 544 HB THR 3 HB THR 3 -2.567 -54.088 34.449 545 HG1 THR 3 HG1 THR 3 -4.035 -53.042 32.618 546 1HG2 THR 3 1HG2 THR 3 -0.283 -54.176 33.467 547 2HG2 THR 3 2HG2 THR 3 -0.746 -52.570 34.048 548 3HG2 THR 3 3HG2 THR 3 -0.776 -52.939 32.317 549 H ALA 4 H ALA 4 -4.389 -54.421 30.751 550 HA ALA 4 HA ALA 4 -2.372 -53.859 28.657 551 1HB ALA 4 1HB ALA 4 -3.895 -54.811 26.987 552 2HB ALA 4 2HB ALA 4 -5.010 -55.273 28.267 553 3HB ALA 4 3HB ALA 4 -3.416 -56.015 28.191 554 H SER 5 H SER 5 -2.451 -51.682 28.587 555 HA SER 5 HA SER 5 -5.020 -50.402 28.014 556 1HB SER 5 1HB SER 5 -4.559 -50.198 30.477 557 2HB SER 5 2HB SER 5 -3.047 -49.368 30.079 558 HG SER 5 HG SER 5 -5.675 -48.487 29.393 559 H ASP 6 H ASP 6 -4.823 -48.396 26.890 560 HA ASP 6 HA ASP 6 -2.240 -47.453 26.054 561 1HB ASP 6 1HB ASP 6 -2.400 -49.364 24.555 562 2HB ASP 6 2HB ASP 6 -4.001 -48.874 24.044 563 H ARG 7 H ARG 7 -2.342 -45.344 25.566 564 HA ARG 7 HA ARG 7 -4.785 -44.181 24.471 565 1HB ARG 7 1HB ARG 7 -5.284 -43.907 26.783 566 2HB ARG 7 2HB ARG 7 -3.624 -43.449 27.175 567 1HG ARG 7 1HG ARG 7 -5.167 -41.548 27.267 568 2HG ARG 7 2HG ARG 7 -3.912 -41.344 26.045 569 1HD ARG 7 1HD ARG 7 -5.489 -41.882 24.275 570 2HD ARG 7 2HD ARG 7 -6.718 -42.268 25.477 571 HE ARG 7 HE ARG 7 -6.393 -39.775 26.127 572 1HH1 ARG 7 1HH1 ARG 7 -6.262 -41.097 22.862 573 2HH1 ARG 7 2HH1 ARG 7 -6.843 -39.632 22.126 574 1HH2 ARG 7 1HH2 ARG 7 -7.156 -37.877 25.147 575 2HH2 ARG 7 2HH2 ARG 7 -7.367 -37.795 23.417 576 H LEU 8 H LEU 8 -4.087 -43.062 22.797 577 HA LEU 8 HA LEU 8 -1.511 -41.632 22.959 578 1HB LEU 8 1HB LEU 8 -2.962 -42.647 20.492 579 2HB LEU 8 2HB LEU 8 -1.435 -41.783 20.488 580 HG LEU 8 HG LEU 8 -1.899 -44.522 21.689 581 1HD1 LEU 8 1HD1 LEU 8 -0.484 -43.694 19.164 582 2HD1 LEU 8 2HD1 LEU 8 -2.020 -44.571 19.263 583 3HD1 LEU 8 3HD1 LEU 8 -0.529 -45.329 19.819 584 1HD2 LEU 8 1HD2 LEU 8 0.647 -42.918 21.365 585 2HD2 LEU 8 2HD2 LEU 8 0.543 -44.591 21.942 586 3HD2 LEU 8 3HD2 LEU 8 -0.170 -43.285 22.878 587 H GLY 9 H GLY 9 -2.301 -39.734 23.803 588 1HA GLY 9 1HA GLY 9 -4.570 -38.341 22.776 589 2HA GLY 9 2HA GLY 9 -3.324 -37.677 23.826 590 H ALA 10 H ALA 10 -4.130 -38.406 20.478 591 HA ALA 10 HA ALA 10 -1.894 -37.329 19.218 592 1HB ALA 10 1HB ALA 10 -4.756 -37.375 18.203 593 2HB ALA 10 2HB ALA 10 -3.568 -38.672 18.021 594 3HB ALA 10 3HB ALA 10 -3.311 -37.130 17.217 595 H ASP 11 H ASP 11 -1.131 -35.376 19.763 596 HA ASP 11 HA ASP 11 -2.697 -33.162 20.557 597 1HB ASP 11 1HB ASP 11 -0.279 -33.426 21.098 598 2HB ASP 11 2HB ASP 11 0.111 -33.161 19.408 599 HA PRO 12 HA PRO 12 -4.173 -32.199 16.411 600 1HB PRO 12 1HB PRO 12 -5.806 -30.142 17.139 601 2HB PRO 12 2HB PRO 12 -6.237 -31.834 17.394 602 1HG PRO 12 1HG PRO 12 -5.103 -29.858 19.341 603 2HG PRO 12 2HG PRO 12 -6.408 -31.029 19.581 604 1HD PRO 12 1HD PRO 12 -3.898 -31.493 20.453 605 2HD PRO 12 2HD PRO 12 -4.946 -32.798 19.916 606 H THR 13 H THR 13 -2.381 -30.196 18.557 607 HA THR 13 HA THR 13 -1.131 -28.329 18.333 608 HB THR 13 HB THR 13 -1.145 -29.009 15.383 609 HG1 THR 13 HG1 THR 13 -0.220 -30.441 17.415 610 1HG2 THR 13 1HG2 THR 13 -0.245 -26.759 15.861 611 2HG2 THR 13 2HG2 THR 13 1.037 -27.865 15.349 612 3HG2 THR 13 3HG2 THR 13 0.868 -27.463 17.058 613 H GLN 14 H GLN 14 -2.709 -26.865 18.971 614 HA GLN 14 HA GLN 14 -4.496 -25.657 17.100 615 1HB GLN 14 1HB GLN 14 -4.844 -23.927 18.914 616 2HB GLN 14 2HB GLN 14 -5.218 -25.586 19.352 617 1HG GLN 14 1HG GLN 14 -2.564 -24.342 20.033 618 2HG GLN 14 2HG GLN 14 -3.986 -24.082 21.053 619 1HE2 GLN 14 2HE2 GLN 14 -1.506 -25.441 21.669 620 2HE2 GLN 14 1HE2 GLN 14 -1.932 -27.058 22.147 621 H ALA 15 H ALA 15 -3.129 -25.092 15.433 622 HA ALA 15 HA ALA 15 -2.072 -22.416 15.573 623 1HB ALA 15 1HB ALA 15 0.175 -22.956 14.779 624 2HB ALA 15 2HB ALA 15 -0.182 -24.680 14.874 625 3HB ALA 15 3HB ALA 15 -0.139 -23.708 16.348 626 H ALA 16 H ALA 16 -3.382 -21.740 13.962 627 HA ALA 16 HA ALA 16 -2.953 -22.858 11.286 628 1HB ALA 16 1HB ALA 16 -4.865 -24.125 12.113 629 2HB ALA 16 2HB ALA 16 -5.361 -23.028 10.834 630 3HB ALA 16 3HB ALA 16 -5.712 -22.628 12.513 631 H SER 17 H SER 17 -1.850 -20.843 11.125 632 HA SER 17 HA SER 17 -3.316 -18.805 9.887 633 1HB SER 17 1HB SER 17 -4.012 -18.254 12.192 634 2HB SER 17 2HB SER 17 -2.310 -18.095 12.653 635 HG SER 17 HG SER 17 -3.952 -16.368 11.244 636 H SER 18 H SER 18 -1.909 -17.061 9.143 637 HA SER 18 HA SER 18 0.912 -17.913 9.048 638 1HB SER 18 1HB SER 18 -0.599 -16.084 7.165 639 2HB SER 18 2HB SER 18 1.064 -16.633 6.976 640 HG SER 18 HG SER 18 -1.299 -18.212 6.944 641 HA PRO 19 HA PRO 19 1.247 -14.299 11.796 642 1HB PRO 19 1HB PRO 19 3.712 -14.955 12.765 643 2HB PRO 19 2HB PRO 19 2.219 -15.653 13.380 644 1HG PRO 19 1HG PRO 19 4.186 -16.783 11.431 645 2HG PRO 19 2HG PRO 19 3.345 -17.593 12.772 646 1HD PRO 19 1HD PRO 19 2.542 -17.836 10.192 647 2HD PRO 19 2HD PRO 19 1.413 -17.900 11.554 648 H GLY 20 H GLY 20 3.612 -15.525 9.484 649 1HA GLY 20 1HA GLY 20 5.044 -14.457 8.032 650 2HA GLY 20 2HA GLY 20 3.960 -13.088 8.141 651 H GLY 21 H GLY 21 4.758 -11.270 8.944 652 1HA GLY 21 1HA GLY 21 6.526 -11.210 11.195 653 2HA GLY 21 2HA GLY 21 7.379 -10.819 9.718 654 H ALA 22 H ALA 22 7.058 -8.968 11.850 655 HA ALA 22 HA ALA 22 5.166 -7.057 10.636 656 1HB ALA 22 1HB ALA 22 4.543 -7.688 12.935 657 2HB ALA 22 2HB ALA 22 5.004 -5.993 12.842 658 3HB ALA 22 3HB ALA 22 6.129 -7.184 13.517 659 H ARG 23 H ARG 23 6.029 -5.191 9.862 660 HA ARG 23 HA ARG 23 8.675 -4.332 10.748 661 1HB ARG 23 1HB ARG 23 9.623 -4.185 8.541 662 2HB ARG 23 2HB ARG 23 9.060 -5.827 8.781 663 1HG ARG 23 1HG ARG 23 7.221 -5.550 7.341 664 2HG ARG 23 2HG ARG 23 7.393 -3.786 7.338 665 1HD ARG 23 1HD ARG 23 9.235 -5.829 6.074 666 2HD ARG 23 2HD ARG 23 8.221 -4.651 5.239 667 HE ARG 23 HE ARG 23 10.284 -3.653 7.078 668 1HH1 ARG 23 1HH1 ARG 23 9.204 -4.072 3.755 669 2HH1 ARG 23 2HH1 ARG 23 10.386 -2.965 3.131 670 1HH2 ARG 23 1HH2 ARG 23 11.768 -2.157 6.238 671 2HH2 ARG 23 2HH2 ARG 23 11.812 -1.886 4.522 672 H ALA 24 H ALA 24 9.212 -2.148 9.764 673 HA ALA 24 HA ALA 24 6.750 -0.584 9.393 674 1HB ALA 24 1HB ALA 24 7.938 1.314 10.389 675 2HB ALA 24 2HB ALA 24 9.372 0.316 10.588 676 3HB ALA 24 3HB ALA 24 7.922 -0.065 11.495 677 H VAL 25 H VAL 25 6.516 -0.081 7.324 678 HA VAL 25 HA VAL 25 8.871 0.494 5.644 679 HB VAL 25 HB VAL 25 7.302 0.405 3.742 680 1HG1 VAL 25 1HG1 VAL 25 8.375 -1.667 4.459 681 2HG1 VAL 25 2HG1 VAL 25 6.768 -2.003 3.840 682 3HG1 VAL 25 3HG1 VAL 25 7.052 -1.997 5.582 683 1HG2 VAL 25 1HG2 VAL 25 5.217 -0.076 5.898 684 2HG2 VAL 25 2HG2 VAL 25 4.946 -0.362 4.169 685 3HG2 VAL 25 3HG2 VAL 25 5.296 1.274 4.749 686 H SER 26 H SER 26 9.067 2.518 4.551 687 HA SER 26 HA SER 26 7.642 4.636 6.002 688 1HB SER 26 1HB SER 26 9.626 6.046 5.187 689 2HB SER 26 2HB SER 26 9.991 4.764 6.357 690 HG SER 26 HG SER 26 11.245 5.086 4.163 691 H ILE 27 H ILE 27 7.106 6.558 4.915 692 HA ILE 27 HA ILE 27 6.445 6.266 2.062 693 HB ILE 27 HB ILE 27 4.910 7.920 4.089 694 1HG1 ILE 27 1HG1 ILE 27 4.649 5.508 4.570 695 2HG1 ILE 27 2HG1 ILE 27 3.150 6.251 4.063 696 1HG2 ILE 27 1HG2 ILE 27 4.284 7.146 1.227 697 2HG2 ILE 27 2HG2 ILE 27 4.718 8.752 1.810 698 3HG2 ILE 27 3HG2 ILE 27 3.188 8.028 2.302 699 1HD1 ILE 27 1HD1 ILE 27 4.941 4.553 2.348 700 2HD1 ILE 27 2HD1 ILE 27 3.418 5.280 1.834 701 3HD1 ILE 27 3HD1 ILE 27 3.427 4.049 3.092 702 H VAL 28 H VAL 28 7.505 7.760 0.829 703 HA VAL 28 HA VAL 28 8.727 10.040 2.221 704 HB VAL 28 HB VAL 28 10.178 10.228 0.160 705 1HG1 VAL 28 1HG1 VAL 28 10.279 7.619 1.690 706 2HG1 VAL 28 2HG1 VAL 28 10.976 9.161 2.204 707 3HG1 VAL 28 3HG1 VAL 28 11.607 8.332 0.785 708 1HG2 VAL 28 1HG2 VAL 28 10.335 8.223 -1.301 709 2HG2 VAL 28 2HG2 VAL 28 8.798 9.070 -1.476 710 3HG2 VAL 28 3HG2 VAL 28 8.890 7.575 -0.530 711 H GLY 29 H GLY 29 7.280 11.655 2.236 712 1HA GLY 29 1HA GLY 29 6.221 13.531 1.320 713 2HA GLY 29 2HA GLY 29 6.573 12.896 -0.292 714 H ASN 30 H ASN 30 5.315 11.088 -1.032 715 HA ASN 30 HA ASN 30 3.072 10.133 0.500 716 1HB ASN 30 1HB ASN 30 1.292 10.769 -0.962 717 2HB ASN 30 2HB ASN 30 2.160 12.241 -0.559 718 1HD2 ASN 30 2HD2 ASN 30 0.421 11.558 -2.841 719 2HD2 ASN 30 1HD2 ASN 30 1.367 11.867 -4.261 720 H GLN 31 H GLN 31 5.593 9.329 -0.909 721 HA GLN 31 HA GLN 31 4.503 7.436 -2.884 722 1HB GLN 31 1HB GLN 31 6.144 9.079 -3.790 723 2HB GLN 31 2HB GLN 31 7.334 8.495 -2.643 724 1HG GLN 31 1HG GLN 31 7.098 6.225 -3.713 725 2HG GLN 31 2HG GLN 31 6.134 6.987 -4.953 726 1HE2 GLN 31 2HE2 GLN 31 9.285 6.570 -3.634 727 2HE2 GLN 31 1HE2 GLN 31 10.171 7.295 -4.941 728 H ILE 32 H ILE 32 5.593 5.340 -2.961 729 HA ILE 32 HA ILE 32 7.086 4.440 -0.684 730 HB ILE 32 HB ILE 32 4.836 4.342 0.291 731 1HG1 ILE 32 1HG1 ILE 32 5.913 1.596 -0.424 732 2HG1 ILE 32 2HG1 ILE 32 6.484 2.607 0.897 733 1HG2 ILE 32 1HG2 ILE 32 3.103 2.902 -0.646 734 2HG2 ILE 32 2HG2 ILE 32 4.136 2.523 -2.016 735 3HG2 ILE 32 3HG2 ILE 32 3.546 4.175 -1.793 736 1HD1 ILE 32 1HD1 ILE 32 4.254 2.426 1.931 737 2HD1 ILE 32 2HD1 ILE 32 5.049 0.870 1.725 738 3HD1 ILE 32 3HD1 ILE 32 3.756 1.358 0.617 739 H ASP 33 H ASP 33 7.978 2.329 -1.057 740 HA ASP 33 HA ASP 33 7.920 1.562 -3.887 741 1HB ASP 33 1HB ASP 33 10.113 2.008 -2.734 742 2HB ASP 33 2HB ASP 33 9.816 0.609 -1.723 743 H SER 34 H SER 34 6.800 -0.168 -4.545 744 HA SER 34 HA SER 34 5.093 -1.593 -2.965 745 1HB SER 34 1HB SER 34 4.873 -1.401 -5.384 746 2HB SER 34 2HB SER 34 6.328 -2.341 -5.618 747 HG SER 34 HG SER 34 4.486 -3.639 -4.083 748 H ARG 35 H ARG 35 8.418 -2.385 -3.799 749 HA ARG 35 HA ARG 35 8.334 -5.109 -3.087 750 1HB ARG 35 1HB ARG 35 10.114 -4.174 -4.480 751 2HB ARG 35 2HB ARG 35 10.668 -3.183 -3.139 752 1HG ARG 35 1HG ARG 35 10.635 -6.148 -2.836 753 2HG ARG 35 2HG ARG 35 11.918 -5.390 -3.757 754 1HD ARG 35 1HD ARG 35 12.507 -4.006 -1.818 755 2HD ARG 35 2HD ARG 35 11.177 -4.716 -0.890 756 HE ARG 35 HE ARG 35 12.855 -6.774 -1.842 757 1HH1 ARG 35 1HH1 ARG 35 12.865 -4.168 0.519 758 2HH1 ARG 35 2HH1 ARG 35 13.967 -4.985 1.583 759 1HH2 ARG 35 1HH2 ARG 35 14.271 -7.831 -0.421 760 2HH2 ARG 35 2HH2 ARG 35 14.737 -7.076 1.065 761 H GLU 36 H GLU 36 8.902 -2.175 -1.232 762 HA GLU 36 HA GLU 36 9.812 -3.401 1.134 763 1HB GLU 36 1HB GLU 36 8.405 -0.774 0.664 764 2HB GLU 36 2HB GLU 36 8.998 -1.267 2.247 765 1HG GLU 36 1HG GLU 36 10.595 -0.801 -0.259 766 2HG GLU 36 2HG GLU 36 10.616 0.158 1.225 767 H LEU 37 H LEU 37 6.598 -2.910 -0.144 768 HA LEU 37 HA LEU 37 5.220 -3.756 2.239 769 1HB LEU 37 1HB LEU 37 4.318 -3.586 -0.641 770 2HB LEU 37 2HB LEU 37 3.251 -3.954 0.695 771 HG LEU 37 HG LEU 37 4.761 -1.358 0.343 772 1HD1 LEU 37 1HD1 LEU 37 1.829 -1.930 -0.034 773 2HD1 LEU 37 2HD1 LEU 37 2.988 -1.589 -1.324 774 3HD1 LEU 37 3HD1 LEU 37 2.597 -0.351 -0.135 775 1HD2 LEU 37 1HD2 LEU 37 2.701 -2.193 2.377 776 2HD2 LEU 37 2HD2 LEU 37 3.344 -0.568 2.201 777 3HD2 LEU 37 3HD2 LEU 37 4.405 -1.873 2.698 778 H PHE 38 H PHE 38 5.946 -5.301 -0.903 779 HA PHE 38 HA PHE 38 4.747 -7.790 -0.062 780 1HB PHE 38 1HB PHE 38 6.238 -6.993 -2.568 781 2HB PHE 38 2HB PHE 38 5.608 -8.607 -2.313 782 HD1 PHE 38 HD1 PHE 38 3.134 -8.889 -1.957 783 HD2 PHE 38 HD2 PHE 38 4.852 -5.256 -3.362 784 HE1 PHE 38 HE1 PHE 38 0.939 -8.192 -2.825 785 HE2 PHE 38 HE2 PHE 38 2.663 -4.575 -4.239 786 HZ PHE 38 HZ PHE 38 0.705 -6.032 -3.976 787 H THR 39 H THR 39 7.693 -6.483 0.648 788 HA THR 39 HA THR 39 9.222 -8.901 0.517 789 HB THR 39 HB THR 39 10.217 -6.543 0.460 790 HG1 THR 39 HG1 THR 39 11.489 -8.433 0.752 791 1HG2 THR 39 1HG2 THR 39 9.032 -5.632 2.386 792 2HG2 THR 39 2HG2 THR 39 10.784 -5.555 2.627 793 3HG2 THR 39 3HG2 THR 39 9.833 -6.798 3.434 794 H VAL 40 H VAL 40 6.827 -7.628 2.558 795 HA VAL 40 HA VAL 40 7.610 -9.119 4.894 796 HB VAL 40 HB VAL 40 6.096 -7.082 4.962 797 1HG1 VAL 40 1HG1 VAL 40 3.946 -9.040 4.174 798 2HG1 VAL 40 2HG1 VAL 40 4.556 -7.736 3.166 799 3HG1 VAL 40 3HG1 VAL 40 3.721 -7.355 4.664 800 1HG2 VAL 40 1HG2 VAL 40 4.801 -7.945 6.855 801 2HG2 VAL 40 2HG2 VAL 40 6.476 -8.518 6.881 802 3HG2 VAL 40 3HG2 VAL 40 5.184 -9.588 6.344 803 H ASP 41 H ASP 41 4.853 -9.650 2.496 804 HA ASP 41 HA ASP 41 5.863 -12.293 2.061 805 1HB ASP 41 1HB ASP 41 4.409 -12.811 3.897 806 2HB ASP 41 2HB ASP 41 3.159 -11.731 3.310 807 H ARG 42 H ARG 42 4.534 -13.233 0.188 808 HA ARG 42 HA ARG 42 4.553 -11.323 -1.888 809 1HB ARG 42 1HB ARG 42 5.019 -13.811 -2.050 810 2HB ARG 42 2HB ARG 42 3.276 -14.050 -2.062 811 1HG ARG 42 1HG ARG 42 3.098 -12.684 -4.080 812 2HG ARG 42 2HG ARG 42 4.843 -12.442 -4.090 813 1HD ARG 42 1HD ARG 42 4.409 -14.171 -5.641 814 2HD ARG 42 2HD ARG 42 5.073 -14.948 -4.204 815 HE ARG 42 HE ARG 42 2.164 -14.823 -4.520 816 1HH1 ARG 42 1HH1 ARG 42 5.093 -16.751 -4.434 817 2HH1 ARG 42 2HH1 ARG 42 4.230 -18.255 -4.418 818 1HH2 ARG 42 1HH2 ARG 42 1.043 -16.809 -4.515 819 2HH2 ARG 42 2HH2 ARG 42 1.950 -18.291 -4.441 820 H GLU 43 H GLU 43 2.185 -11.710 0.415 821 HA GLU 43 HA GLU 43 0.210 -10.396 -1.321 822 1HB GLU 43 1HB GLU 43 -0.538 -12.716 -1.152 823 2HB GLU 43 2HB GLU 43 -0.386 -12.662 0.600 824 1HG GLU 43 1HG GLU 43 -2.160 -10.921 0.646 825 2HG GLU 43 2HG GLU 43 -2.366 -11.126 -1.087 826 H ILE 44 H ILE 44 -0.692 -8.638 -0.416 827 HA ILE 44 HA ILE 44 -0.232 -8.142 2.451 828 HB ILE 44 HB ILE 44 -0.587 -6.052 0.285 829 1HG1 ILE 44 1HG1 ILE 44 1.475 -7.276 -0.193 830 2HG1 ILE 44 2HG1 ILE 44 1.866 -5.672 0.457 831 1HG2 ILE 44 1HG2 ILE 44 0.378 -5.851 3.152 832 2HG2 ILE 44 2HG2 ILE 44 -1.176 -5.297 2.530 833 3HG2 ILE 44 3HG2 ILE 44 0.312 -4.513 1.995 834 1HD1 ILE 44 1HD1 ILE 44 1.930 -8.260 1.971 835 2HD1 ILE 44 2HD1 ILE 44 2.289 -6.674 2.652 836 3HD1 ILE 44 3HD1 ILE 44 3.325 -7.354 1.401 837 H VAL 45 H VAL 45 -1.970 -7.657 3.682 838 HA VAL 45 HA VAL 45 -4.599 -7.382 2.400 839 HB VAL 45 HB VAL 45 -3.946 -7.946 5.314 840 1HG1 VAL 45 1HG1 VAL 45 -6.335 -8.547 5.490 841 2HG1 VAL 45 2HG1 VAL 45 -6.578 -8.035 3.822 842 3HG1 VAL 45 3HG1 VAL 45 -6.089 -6.849 5.043 843 1HG2 VAL 45 1HG2 VAL 45 -4.888 -9.863 3.168 844 2HG2 VAL 45 2HG2 VAL 45 -4.640 -10.247 4.878 845 3HG2 VAL 45 3HG2 VAL 45 -3.271 -9.803 3.851 846 H ILE 46 H ILE 46 -5.897 -5.614 2.864 847 HA ILE 46 HA ILE 46 -4.594 -3.362 4.237 848 HB ILE 46 HB ILE 46 -5.912 -3.170 1.501 849 1HG1 ILE 46 1HG1 ILE 46 -2.992 -2.861 2.280 850 2HG1 ILE 46 2HG1 ILE 46 -3.672 -4.195 1.343 851 1HG2 ILE 46 1HG2 ILE 46 -5.168 -0.824 1.558 852 2HG2 ILE 46 2HG2 ILE 46 -4.618 -1.051 3.216 853 3HG2 ILE 46 3HG2 ILE 46 -6.331 -1.198 2.823 854 1HD1 ILE 46 1HD1 ILE 46 -3.487 -1.307 0.515 855 2HD1 ILE 46 2HD1 ILE 46 -4.279 -2.575 -0.416 856 3HD1 ILE 46 3HD1 ILE 46 -2.544 -2.665 -0.110 857 H ALA 47 H ALA 47 -6.021 -3.023 5.901 858 HA ALA 47 HA ALA 47 -8.851 -3.434 5.536 859 1HB ALA 47 1HB ALA 47 -7.347 -2.350 7.931 860 2HB ALA 47 2HB ALA 47 -7.745 -4.051 7.660 861 3HB ALA 47 3HB ALA 47 -9.039 -2.877 7.904 862 H HIS 48 H HIS 48 -10.364 -1.878 5.211 863 HA HIS 48 HA HIS 48 -9.660 0.929 5.656 864 1HB HIS 48 1HB HIS 48 -9.124 0.456 3.262 865 2HB HIS 48 2HB HIS 48 -10.803 -0.019 3.010 866 HD1 HIS 48 HD1 HIS 48 -8.601 2.866 2.862 867 HD2 HIS 48 HD2 HIS 48 -12.656 2.253 3.518 868 HE1 HIS 48 HE1 HIS 48 -9.682 5.087 2.461 869 HE2 HIS 48 HE2 HIS 48 -12.088 4.755 3.105 870 H GLY 49 H GLY 49 -11.209 0.996 7.349 871 1HA GLY 49 1HA GLY 49 -13.292 1.786 7.979 872 2HA GLY 49 2HA GLY 49 -13.899 1.389 6.354 873 H ASP 50 H ASP 50 -15.115 -0.368 6.156 874 HA ASP 50 HA ASP 50 -15.240 -2.235 8.446 875 1HB ASP 50 1HB ASP 50 -17.353 -1.103 7.966 876 2HB ASP 50 2HB ASP 50 -17.292 -1.634 6.291 877 H ASP 51 H ASP 51 -14.310 -1.986 5.110 878 HA ASP 51 HA ASP 51 -14.639 -4.872 4.709 879 1HB ASP 51 1HB ASP 51 -15.598 -3.353 3.012 880 2HB ASP 51 2HB ASP 51 -14.012 -2.669 2.717 881 H ARG 52 H ARG 52 -12.839 -5.880 3.349 882 HA ARG 52 HA ARG 52 -10.214 -4.927 4.244 883 1HB ARG 52 1HB ARG 52 -11.283 -7.745 4.501 884 2HB ARG 52 2HB ARG 52 -9.574 -7.351 4.639 885 1HG ARG 52 1HG ARG 52 -10.140 -5.812 6.523 886 2HG ARG 52 2HG ARG 52 -11.805 -6.420 6.459 887 1HD ARG 52 1HD ARG 52 -11.007 -8.684 6.904 888 2HD ARG 52 2HD ARG 52 -9.333 -8.091 6.956 889 HE ARG 52 HE ARG 52 -11.255 -6.909 8.808 890 1HH1 ARG 52 1HH1 ARG 52 -8.515 -9.031 8.294 891 2HH1 ARG 52 2HH1 ARG 52 -8.135 -9.121 9.991 892 1HH2 ARG 52 1HH2 ARG 52 -10.717 -7.000 11.015 893 2HH2 ARG 52 2HH2 ARG 52 -9.368 -7.949 11.519 894 H TYR 53 H TYR 53 -8.802 -4.826 2.684 895 HA TYR 53 HA TYR 53 -9.531 -5.968 0.061 896 1HB TYR 53 1HB TYR 53 -7.728 -3.615 0.786 897 2HB TYR 53 2HB TYR 53 -7.990 -4.194 -0.867 898 HD1 TYR 53 HD1 TYR 53 -9.708 -2.725 2.102 899 HD2 TYR 53 HD2 TYR 53 -9.852 -3.476 -2.087 900 HE1 TYR 53 HE1 TYR 53 -11.692 -1.291 1.910 901 HE2 TYR 53 HE2 TYR 53 -11.828 -2.016 -2.298 902 HH TYR 53 HH TYR 53 -13.640 -1.217 -0.853 903 H ARG 54 H ARG 54 -7.631 -6.557 -1.317 904 HA ARG 54 HA ARG 54 -5.303 -7.515 0.223 905 1HB ARG 54 1HB ARG 54 -6.963 -9.130 -1.747 906 2HB ARG 54 2HB ARG 54 -5.370 -9.610 -1.176 907 1HG ARG 54 1HG ARG 54 -6.173 -9.778 1.093 908 2HG ARG 54 2HG ARG 54 -7.739 -9.139 0.601 909 1HD ARG 54 1HD ARG 54 -8.162 -11.100 -0.750 910 2HD ARG 54 2HD ARG 54 -6.563 -11.746 -0.389 911 HE ARG 54 HE ARG 54 -7.477 -11.539 2.046 912 1HH1 ARG 54 1HH1 ARG 54 -9.252 -12.631 -0.772 913 2HH1 ARG 54 2HH1 ARG 54 -10.249 -13.734 0.119 914 1HH2 ARG 54 1HH2 ARG 54 -8.800 -12.952 3.220 915 2HH2 ARG 54 2HH2 ARG 54 -9.977 -13.911 2.400 916 H LEU 55 H LEU 55 -3.651 -6.455 -0.581 917 HA LEU 55 HA LEU 55 -3.451 -5.836 -3.433 918 1HB LEU 55 1HB LEU 55 -2.868 -4.134 -1.682 919 2HB LEU 55 2HB LEU 55 -1.561 -5.173 -1.164 920 HG LEU 55 HG LEU 55 -0.595 -4.957 -3.481 921 1HD1 LEU 55 1HD1 LEU 55 -1.319 -3.125 -4.897 922 2HD1 LEU 55 2HD1 LEU 55 -2.619 -2.751 -3.755 923 3HD1 LEU 55 3HD1 LEU 55 -2.630 -4.278 -4.634 924 1HD2 LEU 55 1HD2 LEU 55 0.273 -3.706 -1.567 925 2HD2 LEU 55 2HD2 LEU 55 -0.877 -2.407 -1.896 926 3HD2 LEU 55 3HD2 LEU 55 0.380 -2.796 -3.068 927 H ARG 56 H ARG 56 -2.385 -7.316 -4.738 928 HA ARG 56 HA ARG 56 -0.599 -9.236 -3.398 929 1HB ARG 56 1HB ARG 56 -2.833 -10.272 -3.732 930 2HB ARG 56 2HB ARG 56 -2.701 -9.940 -5.464 931 1HG ARG 56 1HG ARG 56 -0.806 -11.448 -5.630 932 2HG ARG 56 2HG ARG 56 -0.862 -11.733 -3.887 933 1HD ARG 56 1HD ARG 56 -3.059 -12.400 -5.843 934 2HD ARG 56 2HD ARG 56 -1.919 -13.556 -5.172 935 HE ARG 56 HE ARG 56 -2.875 -12.922 -2.913 936 1HH1 ARG 56 1HH1 ARG 56 -4.741 -12.589 -5.871 937 2HH1 ARG 56 2HH1 ARG 56 -6.274 -12.800 -5.102 938 1HH2 ARG 56 1HH2 ARG 56 -4.904 -13.220 -1.887 939 2HH2 ARG 56 2HH2 ARG 56 -6.362 -13.174 -2.833 940 H LEU 57 H LEU 57 1.083 -10.073 -4.608 941 HA LEU 57 HA LEU 57 1.753 -8.542 -7.019 942 1HB LEU 57 1HB LEU 57 3.188 -8.833 -4.757 943 2HB LEU 57 2HB LEU 57 3.775 -10.242 -5.612 944 HG LEU 57 HG LEU 57 3.969 -7.371 -6.560 945 1HD1 LEU 57 1HD1 LEU 57 5.476 -7.866 -4.722 946 2HD1 LEU 57 2HD1 LEU 57 6.381 -7.636 -6.222 947 3HD1 LEU 57 3HD1 LEU 57 6.088 -9.265 -5.591 948 1HD2 LEU 57 1HD2 LEU 57 3.756 -8.833 -8.484 949 2HD2 LEU 57 2HD2 LEU 57 5.005 -9.907 -7.839 950 3HD2 LEU 57 3HD2 LEU 57 5.422 -8.268 -8.349 951 H THR 58 H THR 58 2.196 -9.637 -8.922 952 HA THR 58 HA THR 58 1.382 -12.423 -9.066 953 HB THR 58 HB THR 58 1.677 -12.019 -11.568 954 HG1 THR 58 HG1 THR 58 1.504 -9.277 -11.088 955 1HG2 THR 58 1HG2 THR 58 -0.536 -11.941 -10.484 956 2HG2 THR 58 2HG2 THR 58 -0.405 -10.770 -11.795 957 3HG2 THR 58 3HG2 THR 58 -0.283 -10.222 -10.131 958 H SER 59 H SER 59 2.793 -13.570 -10.953 959 HA SER 59 HA SER 59 5.246 -14.162 -9.722 960 1HB SER 59 1HB SER 59 3.944 -15.773 -11.107 961 2HB SER 59 2HB SER 59 4.355 -14.837 -12.535 962 HG SER 59 HG SER 59 5.782 -16.597 -12.257 963 H GLN 60 H GLN 60 6.188 -12.010 -9.581 964 HA GLN 60 HA GLN 60 7.742 -10.473 -10.134 965 1HB GLN 60 1HB GLN 60 8.424 -12.563 -12.216 966 2HB GLN 60 2HB GLN 60 9.389 -11.121 -11.938 967 1HG GLN 60 1HG GLN 60 9.692 -11.853 -9.576 968 2HG GLN 60 2HG GLN 60 8.863 -13.356 -9.979 969 1HE2 GLN 60 2HE2 GLN 60 10.057 -13.516 -12.645 970 2HE2 GLN 60 1HE2 GLN 60 11.711 -13.981 -12.412 971 H ASN 61 H ASN 61 5.068 -10.535 -11.645 972 HA ASN 61 HA ASN 61 5.827 -9.192 -14.149 973 1HB ASN 61 1HB ASN 61 4.204 -11.048 -14.278 974 2HB ASN 61 2HB ASN 61 3.103 -10.166 -13.237 975 1HD2 ASN 61 2HD2 ASN 61 4.682 -10.167 -16.373 976 2HD2 ASN 61 1HD2 ASN 61 3.544 -9.139 -17.150 977 H LYS 62 H LYS 62 3.208 -8.692 -11.767 978 HA LYS 62 HA LYS 62 3.992 -6.020 -11.176 979 1HB LYS 62 1HB LYS 62 2.021 -4.856 -12.144 980 2HB LYS 62 2HB LYS 62 3.088 -5.521 -13.364 981 1HG LYS 62 1HG LYS 62 1.131 -6.141 -14.277 982 2HG LYS 62 2HG LYS 62 1.391 -7.546 -13.255 983 1HD LYS 62 1HD LYS 62 -0.130 -6.774 -11.609 984 2HD LYS 62 2HD LYS 62 -0.187 -5.159 -12.321 985 1HE LYS 62 1HE LYS 62 -1.240 -7.698 -13.574 986 2HE LYS 62 2HE LYS 62 -2.206 -6.421 -12.827 987 1HZ LYS 62 1HZ LYS 62 -1.370 -4.889 -14.515 988 2HZ LYS 62 2HZ LYS 62 -2.166 -6.180 -15.231 989 3HZ LYS 62 3HZ LYS 62 -0.483 -6.120 -15.231 990 H LEU 63 H LEU 63 1.522 -4.977 -10.343 991 HA LEU 63 HA LEU 63 0.688 -6.992 -8.348 992 1HB LEU 63 1HB LEU 63 0.698 -5.392 -6.568 993 2HB LEU 63 2HB LEU 63 2.299 -5.490 -7.278 994 HG LEU 63 HG LEU 63 0.367 -3.269 -7.944 995 1HD1 LEU 63 1HD1 LEU 63 0.792 -3.190 -5.532 996 2HD1 LEU 63 2HD1 LEU 63 1.626 -1.880 -6.370 997 3HD1 LEU 63 3HD1 LEU 63 2.538 -3.282 -5.824 998 1HD2 LEU 63 1HD2 LEU 63 3.337 -3.646 -8.338 999 2HD2 LEU 63 2HD2 LEU 63 2.500 -2.106 -8.560 1000 3HD2 LEU 63 3HD2 LEU 63 2.090 -3.477 -9.578 1001 H ILE 64 H ILE 64 -1.376 -6.468 -7.299 1002 HA ILE 64 HA ILE 64 -3.157 -4.754 -8.846 1003 HB ILE 64 HB ILE 64 -4.839 -6.672 -9.045 1004 1HG1 ILE 64 1HG1 ILE 64 -3.641 -8.925 -9.444 1005 2HG1 ILE 64 2HG1 ILE 64 -2.310 -8.244 -8.500 1006 1HG2 ILE 64 1HG2 ILE 64 -3.955 -7.397 -11.204 1007 2HG2 ILE 64 2HG2 ILE 64 -2.390 -6.698 -10.804 1008 3HG2 ILE 64 3HG2 ILE 64 -3.807 -5.653 -10.969 1009 1HD1 ILE 64 1HD1 ILE 64 -5.135 -8.610 -7.529 1010 2HD1 ILE 64 2HD1 ILE 64 -3.765 -8.002 -6.585 1011 3HD1 ILE 64 3HD1 ILE 64 -3.770 -9.664 -7.177 1012 H LEU 65 H LEU 65 -5.425 -4.855 -7.957 1013 HA LEU 65 HA LEU 65 -5.362 -5.176 -5.028 1014 1HB LEU 65 1HB LEU 65 -5.656 -2.808 -5.852 1015 2HB LEU 65 2HB LEU 65 -7.100 -3.335 -6.694 1016 HG LEU 65 HG LEU 65 -8.187 -3.850 -4.568 1017 1HD1 LEU 65 1HD1 LEU 65 -6.249 -4.520 -3.247 1018 2HD1 LEU 65 2HD1 LEU 65 -7.137 -3.236 -2.437 1019 3HD1 LEU 65 3HD1 LEU 65 -5.634 -2.866 -3.281 1020 1HD2 LEU 65 1HD2 LEU 65 -8.473 -1.616 -5.434 1021 2HD2 LEU 65 2HD2 LEU 65 -6.989 -1.095 -4.670 1022 3HD2 LEU 65 3HD2 LEU 65 -8.375 -1.548 -3.677 1023 H THR 66 H THR 66 -7.264 -6.189 -4.127 1024 HA THR 66 HA THR 66 -9.225 -7.411 -5.689 1025 HB THR 66 HB THR 66 -7.238 -8.705 -6.540 1026 HG1 THR 66 HG1 THR 66 -8.325 -10.817 -5.946 1027 1HG2 THR 66 1HG2 THR 66 -6.286 -10.457 -5.055 1028 2HG2 THR 66 2HG2 THR 66 -7.176 -9.778 -3.688 1029 3HG2 THR 66 3HG2 THR 66 -5.905 -8.838 -4.463 1030 H LYS 67 H LYS 67 -10.209 -9.319 -4.303 1031 HA LYS 67 HA LYS 67 -9.305 -9.645 -1.656 1032 1HB LYS 67 1HB LYS 67 -11.372 -8.922 -0.471 1033 2HB LYS 67 2HB LYS 67 -10.410 -7.617 -1.127 1034 1HG LYS 67 1HG LYS 67 -11.996 -7.229 -2.880 1035 2HG LYS 67 2HG LYS 67 -12.875 -8.711 -2.475 1036 1HD LYS 67 1HD LYS 67 -13.382 -7.752 -0.235 1037 2HD LYS 67 2HD LYS 67 -12.611 -6.248 -0.737 1038 1HE LYS 67 1HE LYS 67 -14.292 -5.903 -2.432 1039 2HE LYS 67 2HE LYS 67 -14.964 -7.505 -2.142 1040 1HZ LYS 67 1HZ LYS 67 -14.926 -5.307 -0.154 1041 2HZ LYS 67 2HZ LYS 67 -15.642 -6.835 0.042 1042 3HZ LYS 67 3HZ LYS 67 -16.270 -5.749 -1.097 Start of MODEL 12 1 1H MET 1 1H MET 1 -25.044 58.010 -24.667 2 2H MET 1 2H MET 1 -23.374 57.769 -24.686 3 3H MET 1 3H MET 1 -24.075 58.941 -25.682 4 HA MET 1 HA MET 1 -22.999 59.949 -23.782 5 1HB MET 1 1HB MET 1 -26.013 60.095 -23.678 6 2HB MET 1 2HB MET 1 -24.923 61.241 -22.923 7 1HG MET 1 1HG MET 1 -24.069 61.909 -25.077 8 2HG MET 1 2HG MET 1 -25.071 60.702 -25.875 9 1HE MET 1 1HE MET 1 -26.699 64.069 -26.960 10 2HE MET 1 2HE MET 1 -25.951 62.563 -27.489 11 3HE MET 1 3HE MET 1 -24.986 63.795 -26.671 12 H MET 2 H MET 2 -25.885 58.158 -22.617 13 HA MET 2 HA MET 2 -24.934 58.044 -19.931 14 1HB MET 2 1HB MET 2 -26.810 56.470 -19.587 15 2HB MET 2 2HB MET 2 -27.312 57.948 -20.387 16 1HG MET 2 1HG MET 2 -27.367 56.764 -22.511 17 2HG MET 2 2HG MET 2 -26.806 55.296 -21.716 18 1HE MET 2 1HE MET 2 -28.232 53.932 -19.920 19 2HE MET 2 2HE MET 2 -29.822 54.436 -19.360 20 3HE MET 2 3HE MET 2 -28.381 55.386 -18.962 21 H THR 3 H THR 3 -23.444 56.755 -19.116 22 HA THR 3 HA THR 3 -22.538 54.464 -20.710 23 HB THR 3 HB THR 3 -20.464 54.603 -19.298 24 HG1 THR 3 HG1 THR 3 -21.938 56.187 -17.801 25 1HG2 THR 3 1HG2 THR 3 -19.568 56.616 -20.373 26 2HG2 THR 3 2HG2 THR 3 -21.208 57.119 -20.800 27 3HG2 THR 3 3HG2 THR 3 -20.520 55.643 -21.498 28 H ALA 4 H ALA 4 -22.561 52.448 -19.944 29 HA ALA 4 HA ALA 4 -23.075 51.916 -17.119 30 1HB ALA 4 1HB ALA 4 -24.792 50.799 -19.342 31 2HB ALA 4 2HB ALA 4 -25.297 51.991 -18.143 32 3HB ALA 4 3HB ALA 4 -24.895 50.353 -17.642 33 H SER 5 H SER 5 -21.138 50.922 -16.817 34 HA SER 5 HA SER 5 -20.694 48.313 -17.898 35 1HB SER 5 1HB SER 5 -18.425 48.934 -18.865 36 2HB SER 5 2HB SER 5 -19.819 49.451 -19.816 37 HG SER 5 HG SER 5 -18.490 51.114 -17.912 38 H ASP 6 H ASP 6 -20.023 47.273 -16.132 39 HA ASP 6 HA ASP 6 -18.817 48.604 -13.906 40 1HB ASP 6 1HB ASP 6 -18.925 46.485 -12.776 41 2HB ASP 6 2HB ASP 6 -20.416 46.645 -13.705 42 H ARG 7 H ARG 7 -16.820 47.796 -12.878 43 HA ARG 7 HA ARG 7 -14.796 47.026 -14.896 44 1HB ARG 7 1HB ARG 7 -13.223 48.554 -13.862 45 2HB ARG 7 2HB ARG 7 -14.679 49.448 -14.316 46 1HG ARG 7 1HG ARG 7 -15.429 49.112 -11.902 47 2HG ARG 7 2HG ARG 7 -13.787 48.580 -11.558 48 1HD ARG 7 1HD ARG 7 -14.639 51.264 -12.587 49 2HD ARG 7 2HD ARG 7 -13.924 50.903 -11.022 50 HE ARG 7 HE ARG 7 -12.240 50.176 -13.237 51 1HH1 ARG 7 1HH1 ARG 7 -13.179 52.774 -11.106 52 2HH1 ARG 7 2HH1 ARG 7 -11.726 53.670 -11.370 53 1HH2 ARG 7 1HH2 ARG 7 -10.343 51.321 -13.606 54 2HH2 ARG 7 2HH2 ARG 7 -10.088 52.827 -12.774 55 H LEU 8 H LEU 8 -16.399 45.573 -12.786 56 HA LEU 8 HA LEU 8 -14.701 44.986 -10.585 57 1HB LEU 8 1HB LEU 8 -17.039 43.399 -11.667 58 2HB LEU 8 2HB LEU 8 -16.308 43.236 -10.075 59 HG LEU 8 HG LEU 8 -17.794 45.650 -11.100 60 1HD1 LEU 8 1HD1 LEU 8 -18.554 43.589 -9.017 61 2HD1 LEU 8 2HD1 LEU 8 -19.303 43.820 -10.605 62 3HD1 LEU 8 3HD1 LEU 8 -19.452 45.074 -9.364 63 1HD2 LEU 8 1HD2 LEU 8 -15.960 46.272 -9.588 64 2HD2 LEU 8 2HD2 LEU 8 -16.579 45.152 -8.371 65 3HD2 LEU 8 3HD2 LEU 8 -17.531 46.550 -8.848 66 H GLY 9 H GLY 9 -13.535 43.042 -10.127 67 1HA GLY 9 1HA GLY 9 -13.231 40.896 -11.912 68 2HA GLY 9 2HA GLY 9 -11.972 42.071 -12.237 69 H ALA 10 H ALA 10 -13.178 39.716 -9.991 70 HA ALA 10 HA ALA 10 -11.309 40.349 -7.901 71 1HB ALA 10 1HB ALA 10 -12.158 38.378 -6.788 72 2HB ALA 10 2HB ALA 10 -13.000 37.887 -8.262 73 3HB ALA 10 3HB ALA 10 -13.496 39.354 -7.422 74 H ASP 11 H ASP 11 -9.587 39.008 -7.208 75 HA ASP 11 HA ASP 11 -8.030 37.940 -9.368 76 1HB ASP 11 1HB ASP 11 -6.329 37.510 -7.535 77 2HB ASP 11 2HB ASP 11 -6.834 39.180 -7.709 78 HA PRO 12 HA PRO 12 -9.336 33.690 -8.561 79 1HB PRO 12 1HB PRO 12 -8.233 32.608 -10.730 80 2HB PRO 12 2HB PRO 12 -9.566 33.765 -10.897 81 1HG PRO 12 1HG PRO 12 -6.632 34.200 -11.294 82 2HG PRO 12 2HG PRO 12 -7.987 34.795 -12.250 83 1HD PRO 12 1HD PRO 12 -6.665 36.260 -10.283 84 2HD PRO 12 2HD PRO 12 -8.287 36.615 -10.911 85 H THR 13 H THR 13 -7.266 34.577 -6.903 86 HA THR 13 HA THR 13 -4.798 33.233 -7.394 87 HB THR 13 HB THR 13 -4.373 33.764 -4.942 88 HG1 THR 13 HG1 THR 13 -6.532 35.522 -4.975 89 1HG2 THR 13 1HG2 THR 13 -3.634 35.248 -6.764 90 2HG2 THR 13 2HG2 THR 13 -4.119 36.167 -5.336 91 3HG2 THR 13 3HG2 THR 13 -5.210 36.057 -6.720 92 H GLN 14 H GLN 14 -5.223 31.093 -7.759 93 HA GLN 14 HA GLN 14 -6.022 29.507 -5.399 94 1HB GLN 14 1HB GLN 14 -6.341 28.765 -8.329 95 2HB GLN 14 2HB GLN 14 -6.738 27.734 -6.966 96 1HG GLN 14 1HG GLN 14 -8.434 29.359 -6.234 97 2HG GLN 14 2HG GLN 14 -8.046 30.358 -7.639 98 1HE2 GLN 14 2HE2 GLN 14 -8.617 29.615 -9.710 99 2HE2 GLN 14 1HE2 GLN 14 -9.808 28.388 -9.929 100 H ALA 15 H ALA 15 -4.023 29.178 -4.513 101 HA ALA 15 HA ALA 15 -1.769 28.567 -6.225 102 1HB ALA 15 1HB ALA 15 -1.957 28.726 -3.214 103 2HB ALA 15 2HB ALA 15 -1.476 30.043 -4.307 104 3HB ALA 15 3HB ALA 15 -0.464 28.606 -4.149 105 H ALA 16 H ALA 16 -1.039 26.579 -6.686 106 HA ALA 16 HA ALA 16 -2.477 24.271 -5.867 107 1HB ALA 16 1HB ALA 16 -1.448 24.409 -8.065 108 2HB ALA 16 2HB ALA 16 -0.815 23.018 -7.174 109 3HB ALA 16 3HB ALA 16 0.164 24.473 -7.339 110 H SER 17 H SER 17 -2.323 24.298 -3.625 111 HA SER 17 HA SER 17 0.050 24.332 -2.132 112 1HB SER 17 1HB SER 17 -2.619 23.090 -1.371 113 2HB SER 17 2HB SER 17 -1.332 23.599 -0.267 114 HG SER 17 HG SER 17 -1.698 25.726 -1.532 115 H SER 18 H SER 18 1.477 22.757 -1.653 116 HA SER 18 HA SER 18 0.943 20.014 -2.579 117 1HB SER 18 1HB SER 18 3.622 21.402 -2.358 118 2HB SER 18 2HB SER 18 3.293 19.820 -3.079 119 HG SER 18 HG SER 18 1.749 21.217 -4.450 120 HA PRO 19 HA PRO 19 1.546 19.427 1.946 121 1HB PRO 19 1HB PRO 19 0.129 17.128 2.105 122 2HB PRO 19 2HB PRO 19 -0.646 18.706 2.090 123 1HG PRO 19 1HG PRO 19 -0.258 16.776 -0.175 124 2HG PRO 19 2HG PRO 19 -1.714 17.684 0.290 125 1HD PRO 19 1HD PRO 19 -0.070 18.499 -1.723 126 2HD PRO 19 2HD PRO 19 -0.957 19.646 -0.703 127 H GLY 20 H GLY 20 2.790 17.812 3.064 128 1HA GLY 20 1HA GLY 20 3.916 15.581 1.649 129 2HA GLY 20 2HA GLY 20 5.049 16.916 1.856 130 H GLY 21 H GLY 21 6.303 15.340 3.083 131 1HA GLY 21 1HA GLY 21 7.031 15.327 5.411 132 2HA GLY 21 2HA GLY 21 5.353 15.141 5.873 133 H ALA 22 H ALA 22 7.880 13.441 6.238 134 HA ALA 22 HA ALA 22 6.946 10.960 4.942 135 1HB ALA 22 1HB ALA 22 9.656 11.610 6.150 136 2HB ALA 22 2HB ALA 22 9.268 11.595 4.429 137 3HB ALA 22 3HB ALA 22 9.206 10.096 5.358 138 H ARG 23 H ARG 23 6.616 9.091 6.177 139 HA ARG 23 HA ARG 23 6.924 9.272 9.086 140 1HB ARG 23 1HB ARG 23 4.654 8.648 9.561 141 2HB ARG 23 2HB ARG 23 4.621 10.091 8.563 142 1HG ARG 23 1HG ARG 23 3.966 8.830 6.632 143 2HG ARG 23 2HG ARG 23 4.209 7.315 7.483 144 1HD ARG 23 1HD ARG 23 2.117 9.404 8.089 145 2HD ARG 23 2HD ARG 23 1.863 7.816 7.358 146 HE ARG 23 HE ARG 23 3.059 7.876 10.011 147 1HH1 ARG 23 1HH1 ARG 23 0.155 7.408 8.099 148 2HH1 ARG 23 2HH1 ARG 23 -0.685 6.568 9.360 149 1HH2 ARG 23 1HH2 ARG 23 1.946 6.786 11.678 150 2HH2 ARG 23 2HH2 ARG 23 0.337 6.161 11.365 151 H ALA 24 H ALA 24 6.526 7.135 10.104 152 HA ALA 24 HA ALA 24 7.289 4.952 8.277 153 1HB ALA 24 1HB ALA 24 9.035 5.491 9.888 154 2HB ALA 24 2HB ALA 24 8.369 3.884 10.191 155 3HB ALA 24 3HB ALA 24 7.900 5.248 11.219 156 H VAL 25 H VAL 25 5.511 3.848 7.804 157 HA VAL 25 HA VAL 25 3.482 3.348 9.885 158 HB VAL 25 HB VAL 25 2.087 2.496 8.020 159 1HG1 VAL 25 1HG1 VAL 25 1.920 4.848 8.652 160 2HG1 VAL 25 2HG1 VAL 25 1.706 4.662 6.914 161 3HG1 VAL 25 3HG1 VAL 25 3.243 5.246 7.545 162 1HG2 VAL 25 1HG2 VAL 25 2.830 2.886 5.681 163 2HG2 VAL 25 2HG2 VAL 25 3.805 1.683 6.508 164 3HG2 VAL 25 3HG2 VAL 25 4.426 3.312 6.279 165 H SER 26 H SER 26 2.860 1.222 10.454 166 HA SER 26 HA SER 26 5.001 -0.704 9.942 167 1HB SER 26 1HB SER 26 3.929 -1.887 11.976 168 2HB SER 26 2HB SER 26 4.761 -0.359 12.275 169 HG SER 26 HG SER 26 2.116 -0.027 11.647 170 H ILE 27 H ILE 27 4.548 -2.884 9.636 171 HA ILE 27 HA ILE 27 1.935 -3.547 8.444 172 HB ILE 27 HB ILE 27 4.681 -3.989 7.269 173 1HG1 ILE 27 1HG1 ILE 27 3.518 -3.461 5.144 174 2HG1 ILE 27 2HG1 ILE 27 1.995 -3.320 6.016 175 1HG2 ILE 27 1HG2 ILE 27 2.308 -5.798 6.778 176 2HG2 ILE 27 2HG2 ILE 27 3.845 -6.254 7.514 177 3HG2 ILE 27 3HG2 ILE 27 3.771 -5.791 5.818 178 1HD1 ILE 27 1HD1 ILE 27 2.753 -1.366 7.161 179 2HD1 ILE 27 2HD1 ILE 27 3.043 -1.171 5.436 180 3HD1 ILE 27 3HD1 ILE 27 4.382 -1.565 6.505 181 H VAL 28 H VAL 28 1.081 -5.375 9.245 182 HA VAL 28 HA VAL 28 2.759 -6.938 11.072 183 HB VAL 28 HB VAL 28 0.543 -7.778 12.016 184 1HG1 VAL 28 1HG1 VAL 28 1.865 -6.064 13.148 185 2HG1 VAL 28 2HG1 VAL 28 0.157 -5.698 13.315 186 3HG1 VAL 28 3HG1 VAL 28 1.132 -4.804 12.158 187 1HG2 VAL 28 1HG2 VAL 28 -0.585 -5.455 10.430 188 2HG2 VAL 28 2HG2 VAL 28 -1.458 -6.481 11.564 189 3HG2 VAL 28 3HG2 VAL 28 -0.862 -7.172 10.061 190 H GLY 29 H GLY 29 3.686 -8.427 9.745 191 1HA GLY 29 1HA GLY 29 3.861 -10.397 8.532 192 2HA GLY 29 2HA GLY 29 2.125 -10.610 8.756 193 H ASN 30 H ASN 30 0.705 -9.320 7.402 194 HA ASN 30 HA ASN 30 1.765 -8.031 5.053 195 1HB ASN 30 1HB ASN 30 0.674 -9.505 3.437 196 2HB ASN 30 2HB ASN 30 1.875 -10.399 4.379 197 1HD2 ASN 30 2HD2 ASN 30 -0.513 -11.297 2.885 198 2HD2 ASN 30 1HD2 ASN 30 -1.465 -12.191 4.031 199 H GLN 31 H GLN 31 0.465 -6.712 6.811 200 HA GLN 31 HA GLN 31 -2.111 -6.158 5.602 201 1HB GLN 31 1HB GLN 31 -2.565 -7.869 7.391 202 2HB GLN 31 2HB GLN 31 -1.991 -6.701 8.583 203 1HG GLN 31 1HG GLN 31 -3.770 -5.123 7.715 204 2HG GLN 31 2HG GLN 31 -4.421 -6.474 6.794 205 1HE2 GLN 31 2HE2 GLN 31 -4.114 -4.982 9.883 206 2HE2 GLN 31 1HE2 GLN 31 -5.143 -6.062 10.760 207 H ILE 32 H ILE 32 -2.983 -4.131 6.260 208 HA ILE 32 HA ILE 32 -1.582 -2.321 7.973 209 HB ILE 32 HB ILE 32 -0.110 -2.270 5.947 210 1HG1 ILE 32 1HG1 ILE 32 -1.627 0.308 6.446 211 2HG1 ILE 32 2HG1 ILE 32 -0.302 -0.305 7.439 212 1HG2 ILE 32 1HG2 ILE 32 -0.951 -1.199 3.874 213 2HG2 ILE 32 2HG2 ILE 32 -2.577 -1.211 4.563 214 3HG2 ILE 32 3HG2 ILE 32 -1.742 -2.729 4.232 215 1HD1 ILE 32 1HD1 ILE 32 -0.124 0.515 4.553 216 2HD1 ILE 32 2HD1 ILE 32 1.214 -0.093 5.541 217 3HD1 ILE 32 3HD1 ILE 32 0.446 1.456 5.939 218 H ASP 33 H ASP 33 -2.730 -0.184 8.016 219 HA ASP 33 HA ASP 33 -5.527 -0.465 7.154 220 1HB ASP 33 1HB ASP 33 -5.060 -0.086 9.589 221 2HB ASP 33 2HB ASP 33 -4.405 1.510 9.173 222 H SER 34 H SER 34 -6.380 0.898 5.656 223 HA SER 34 HA SER 34 -4.804 2.270 3.864 224 1HB SER 34 1HB SER 34 -7.120 1.490 3.447 225 2HB SER 34 2HB SER 34 -7.731 2.746 4.524 226 HG SER 34 HG SER 34 -6.208 3.954 2.765 227 H ARG 35 H ARG 35 -6.247 3.505 6.836 228 HA ARG 35 HA ARG 35 -6.132 6.255 6.256 229 1HB ARG 35 1HB ARG 35 -7.426 5.329 8.123 230 2HB ARG 35 2HB ARG 35 -5.951 4.815 8.932 231 1HG ARG 35 1HG ARG 35 -6.362 7.736 8.296 232 2HG ARG 35 2HG ARG 35 -7.173 7.004 9.675 233 1HD ARG 35 1HD ARG 35 -5.046 6.349 10.635 234 2HD ARG 35 2HD ARG 35 -4.199 6.903 9.201 235 HE ARG 35 HE ARG 35 -5.708 8.998 10.386 236 1HH1 ARG 35 1HH1 ARG 35 -2.725 7.188 10.745 237 2HH1 ARG 35 2HH1 ARG 35 -1.904 8.501 11.521 238 1HH2 ARG 35 1HH2 ARG 35 -4.634 10.698 11.434 239 2HH2 ARG 35 2HH2 ARG 35 -2.978 10.480 11.913 240 H GLU 36 H GLU 36 -3.711 4.024 7.525 241 HA GLU 36 HA GLU 36 -1.844 5.905 8.401 242 1HB GLU 36 1HB GLU 36 -1.531 3.067 7.417 243 2HB GLU 36 2HB GLU 36 -0.181 4.015 8.047 244 1HG GLU 36 1HG GLU 36 -2.701 3.369 9.574 245 2HG GLU 36 2HG GLU 36 -1.168 2.509 9.711 246 H LEU 37 H LEU 37 -2.406 4.564 5.209 247 HA LEU 37 HA LEU 37 -0.044 5.734 4.063 248 1HB LEU 37 1HB LEU 37 -2.498 4.522 2.785 249 2HB LEU 37 2HB LEU 37 -1.051 4.978 1.913 250 HG LEU 37 HG LEU 37 -1.180 2.858 4.076 251 1HD1 LEU 37 1HD1 LEU 37 -2.356 2.191 2.011 252 2HD1 LEU 37 2HD1 LEU 37 -0.882 1.262 2.231 253 3HD1 LEU 37 3HD1 LEU 37 -0.924 2.582 1.056 254 1HD2 LEU 37 1HD2 LEU 37 1.102 2.317 3.379 255 2HD2 LEU 37 2HD2 LEU 37 1.001 3.968 3.959 256 3HD2 LEU 37 3HD2 LEU 37 1.094 3.663 2.232 257 H PHE 38 H PHE 38 -3.545 6.388 3.793 258 HA PHE 38 HA PHE 38 -3.039 8.796 2.259 259 1HB PHE 38 1HB PHE 38 -5.654 7.545 3.155 260 2HB PHE 38 2HB PHE 38 -5.476 8.849 2.002 261 HD1 PHE 38 HD2 PHE 38 -4.282 8.406 -0.182 262 HD2 PHE 38 HD1 PHE 38 -5.446 5.294 2.488 263 HE1 PHE 38 HE2 PHE 38 -4.079 6.772 -2.008 264 HE2 PHE 38 HE1 PHE 38 -5.231 3.655 0.652 265 HZ PHE 38 HZ PHE 38 -4.549 4.397 -1.592 266 H THR 39 H THR 39 -2.164 8.800 5.036 267 HA THR 39 HA THR 39 -4.066 10.219 6.632 268 HB THR 39 HB THR 39 -2.310 8.760 7.586 269 HG1 THR 39 HG1 THR 39 -3.209 10.985 8.529 270 1HG2 THR 39 1HG2 THR 39 -0.003 9.671 7.803 271 2HG2 THR 39 2HG2 THR 39 -0.438 10.953 6.692 272 3HG2 THR 39 3HG2 THR 39 -0.426 9.285 6.126 273 H VAL 40 H VAL 40 -2.479 11.267 3.964 274 HA VAL 40 HA VAL 40 -2.695 14.043 4.795 275 HB VAL 40 HB VAL 40 -0.402 13.775 5.294 276 1HG1 VAL 40 1HG1 VAL 40 -0.048 11.611 4.165 277 2HG1 VAL 40 2HG1 VAL 40 1.257 12.761 3.839 278 3HG1 VAL 40 3HG1 VAL 40 0.031 12.447 2.616 279 1HG2 VAL 40 1HG2 VAL 40 -0.598 14.941 2.509 280 2HG2 VAL 40 2HG2 VAL 40 0.720 15.213 3.645 281 3HG2 VAL 40 3HG2 VAL 40 -0.906 15.791 4.023 282 H ASP 41 H ASP 41 -1.630 12.011 2.071 283 HA ASP 41 HA ASP 41 -3.320 13.689 0.322 284 1HB ASP 41 1HB ASP 41 -0.795 13.462 -0.162 285 2HB ASP 41 2HB ASP 41 -1.153 11.816 -0.665 286 H ARG 42 H ARG 42 -4.825 12.645 -1.078 287 HA ARG 42 HA ARG 42 -5.685 10.060 -0.064 288 1HB ARG 42 1HB ARG 42 -6.989 12.206 -1.737 289 2HB ARG 42 2HB ARG 42 -7.696 10.604 -1.622 290 1HG ARG 42 1HG ARG 42 -8.780 12.028 -0.039 291 2HG ARG 42 2HG ARG 42 -7.786 10.843 0.841 292 1HD ARG 42 1HD ARG 42 -5.973 12.709 0.827 293 2HD ARG 42 2HD ARG 42 -7.309 13.796 0.427 294 HE ARG 42 HE ARG 42 -7.720 12.107 2.767 295 1HH1 ARG 42 1HH1 ARG 42 -6.745 15.243 1.553 296 2HH1 ARG 42 2HH1 ARG 42 -6.848 16.014 3.111 297 1HH2 ARG 42 1HH2 ARG 42 -7.863 13.099 4.769 298 2HH2 ARG 42 2HH2 ARG 42 -7.531 14.800 4.930 299 H GLU 43 H GLU 43 -3.343 10.559 -1.957 300 HA GLU 43 HA GLU 43 -3.886 8.181 -3.504 301 1HB GLU 43 1HB GLU 43 -4.526 10.031 -5.021 302 2HB GLU 43 2HB GLU 43 -2.909 10.702 -4.871 303 1HG GLU 43 1HG GLU 43 -1.986 8.695 -5.896 304 2HG GLU 43 2HG GLU 43 -3.592 8.000 -6.024 305 H ILE 44 H ILE 44 -2.051 6.994 -3.825 306 HA ILE 44 HA ILE 44 0.431 8.007 -2.596 307 HB ILE 44 HB ILE 44 -0.670 5.215 -2.345 308 1HG1 ILE 44 1HG1 ILE 44 -1.916 6.791 -0.931 309 2HG1 ILE 44 2HG1 ILE 44 -0.934 5.690 0.060 310 1HG2 ILE 44 1HG2 ILE 44 1.756 5.220 -2.443 311 2HG2 ILE 44 2HG2 ILE 44 1.207 4.818 -0.818 312 3HG2 ILE 44 3HG2 ILE 44 1.820 6.430 -1.167 313 1HD1 ILE 44 1HD1 ILE 44 -0.324 8.571 -0.617 314 2HD1 ILE 44 2HD1 ILE 44 0.737 7.489 0.299 315 3HD1 ILE 44 3HD1 ILE 44 -0.835 7.923 0.936 316 H VAL 45 H VAL 45 2.344 7.332 -3.565 317 HA VAL 45 HA VAL 45 2.035 6.088 -6.226 318 HB VAL 45 HB VAL 45 4.376 7.702 -5.109 319 1HG1 VAL 45 1HG1 VAL 45 3.883 6.561 -7.871 320 2HG1 VAL 45 2HG1 VAL 45 5.182 6.144 -6.757 321 3HG1 VAL 45 3HG1 VAL 45 5.129 7.749 -7.485 322 1HG2 VAL 45 1HG2 VAL 45 3.640 9.484 -6.643 323 2HG2 VAL 45 2HG2 VAL 45 2.421 9.115 -5.435 324 3HG2 VAL 45 3HG2 VAL 45 2.231 8.518 -7.077 325 H ILE 46 H ILE 46 3.286 4.317 -6.757 326 HA ILE 46 HA ILE 46 4.773 3.004 -4.592 327 HB ILE 46 HB ILE 46 2.675 1.599 -6.295 328 1HG1 ILE 46 1HG1 ILE 46 2.645 2.298 -3.329 329 2HG1 ILE 46 2HG1 ILE 46 1.650 3.053 -4.578 330 1HG2 ILE 46 1HG2 ILE 46 3.133 -0.345 -4.853 331 2HG2 ILE 46 2HG2 ILE 46 4.426 0.552 -4.055 332 3HG2 ILE 46 3HG2 ILE 46 4.554 0.150 -5.769 333 1HD1 ILE 46 1HD1 ILE 46 0.351 1.464 -3.342 334 2HD1 ILE 46 2HD1 ILE 46 1.526 0.194 -3.662 335 3HD1 ILE 46 3HD1 ILE 46 0.570 0.867 -4.978 336 H ALA 47 H ALA 47 6.797 2.858 -5.454 337 HA ALA 47 HA ALA 47 7.148 2.534 -8.315 338 1HB ALA 47 1HB ALA 47 8.619 3.993 -7.058 339 2HB ALA 47 2HB ALA 47 9.535 2.656 -7.772 340 3HB ALA 47 3HB ALA 47 9.149 2.642 -6.046 341 H HIS 48 H HIS 48 7.567 0.673 -9.350 342 HA HIS 48 HA HIS 48 8.516 -1.667 -7.870 343 1HB HIS 48 1HB HIS 48 6.193 -2.061 -7.694 344 2HB HIS 48 2HB HIS 48 5.891 -1.551 -9.341 345 HD1 HIS 48 HD1 HIS 48 7.354 -4.468 -7.402 346 HD2 HIS 48 HD2 HIS 48 6.043 -3.532 -11.239 347 HE1 HIS 48 HE1 HIS 48 7.365 -6.631 -8.684 348 HE2 HIS 48 HE2 HIS 48 6.797 -5.978 -11.052 349 H GLY 49 H GLY 49 10.419 -1.713 -9.016 350 1HA GLY 49 1HA GLY 49 11.533 -2.937 -10.741 351 2HA GLY 49 2HA GLY 49 10.148 -2.649 -11.811 352 H ASP 50 H ASP 50 9.891 -0.588 -12.724 353 HA ASP 50 HA ASP 50 11.816 1.520 -12.137 354 1HB ASP 50 1HB ASP 50 11.613 0.165 -14.839 355 2HB ASP 50 2HB ASP 50 12.094 1.851 -14.715 356 H ASP 51 H ASP 51 8.694 0.543 -12.621 357 HA ASP 51 HA ASP 51 7.827 2.981 -14.013 358 1HB ASP 51 1HB ASP 51 7.003 0.816 -14.881 359 2HB ASP 51 2HB ASP 51 6.317 0.438 -13.295 360 H ARG 52 H ARG 52 5.564 3.709 -13.097 361 HA ARG 52 HA ARG 52 5.740 3.862 -10.161 362 1HB ARG 52 1HB ARG 52 5.177 6.129 -12.094 363 2HB ARG 52 2HB ARG 52 4.807 6.215 -10.372 364 1HG ARG 52 1HG ARG 52 7.537 5.873 -11.604 365 2HG ARG 52 2HG ARG 52 6.910 7.320 -10.834 366 1HD ARG 52 1HD ARG 52 6.678 6.058 -8.710 367 2HD ARG 52 2HD ARG 52 7.391 4.655 -9.508 368 HE ARG 52 HE ARG 52 8.783 7.165 -8.846 369 1HH1 ARG 52 1HH1 ARG 52 8.937 3.844 -10.003 370 2HH1 ARG 52 2HH1 ARG 52 10.648 3.712 -9.692 371 1HH2 ARG 52 1HH2 ARG 52 10.978 6.969 -8.462 372 2HH2 ARG 52 2HH2 ARG 52 11.808 5.499 -8.861 373 H TYR 53 H TYR 53 3.999 3.055 -9.260 374 HA TYR 53 HA TYR 53 1.453 3.096 -10.734 375 1HB TYR 53 1HB TYR 53 2.388 1.375 -8.428 376 2HB TYR 53 2HB TYR 53 0.735 1.391 -9.001 377 HD1 TYR 53 HD1 TYR 53 4.225 0.730 -10.131 378 HD2 TYR 53 HD2 TYR 53 0.080 -0.050 -10.722 379 HE1 TYR 53 HE1 TYR 53 4.791 -0.992 -11.789 380 HE2 TYR 53 HE2 TYR 53 0.626 -1.779 -12.374 381 HH TYR 53 HH TYR 53 2.370 -2.464 -13.798 382 H ARG 54 H ARG 54 -0.493 3.422 -9.338 383 HA ARG 54 HA ARG 54 0.028 5.235 -7.061 384 1HB ARG 54 1HB ARG 54 -1.732 5.862 -9.449 385 2HB ARG 54 2HB ARG 54 -1.778 6.760 -7.935 386 1HG ARG 54 1HG ARG 54 0.270 7.750 -8.295 387 2HG ARG 54 2HG ARG 54 0.832 6.472 -9.352 388 1HD ARG 54 1HD ARG 54 0.298 8.669 -10.468 389 2HD ARG 54 2HD ARG 54 -0.457 7.241 -11.171 390 HE ARG 54 HE ARG 54 -2.043 8.688 -9.220 391 1HH1 ARG 54 1HH1 ARG 54 -1.284 8.271 -12.612 392 2HH1 ARG 54 2HH1 ARG 54 -2.802 8.916 -13.145 393 1HH2 ARG 54 1HH2 ARG 54 -4.014 9.519 -9.896 394 2HH2 ARG 54 2HH2 ARG 54 -4.363 9.652 -11.602 395 H LEU 55 H LEU 55 -1.067 4.598 -5.389 396 HA LEU 55 HA LEU 55 -3.539 3.030 -5.705 397 1HB LEU 55 1HB LEU 55 -1.776 2.191 -4.165 398 2HB LEU 55 2HB LEU 55 -1.935 3.658 -3.219 399 HG LEU 55 HG LEU 55 -4.282 3.043 -2.686 400 1HD1 LEU 55 1HD1 LEU 55 -3.620 0.445 -4.089 401 2HD1 LEU 55 2HD1 LEU 55 -4.728 1.682 -4.681 402 3HD1 LEU 55 3HD1 LEU 55 -5.096 0.809 -3.200 403 1HD2 LEU 55 1HD2 LEU 55 -3.728 1.231 -1.124 404 2HD2 LEU 55 2HD2 LEU 55 -2.476 2.470 -1.127 405 3HD2 LEU 55 3HD2 LEU 55 -2.223 0.945 -1.992 406 H ARG 56 H ARG 56 -5.350 4.181 -5.784 407 HA ARG 56 HA ARG 56 -5.352 6.884 -4.591 408 1HB ARG 56 1HB ARG 56 -5.591 7.062 -6.971 409 2HB ARG 56 2HB ARG 56 -6.810 5.796 -7.009 410 1HG ARG 56 1HG ARG 56 -8.387 7.230 -5.834 411 2HG ARG 56 2HG ARG 56 -7.150 8.486 -5.699 412 1HD ARG 56 1HD ARG 56 -8.062 7.383 -8.364 413 2HD ARG 56 2HD ARG 56 -8.887 8.738 -7.571 414 HE ARG 56 HE ARG 56 -6.094 9.241 -7.728 415 1HH1 ARG 56 1HH1 ARG 56 -8.943 9.085 -9.783 416 2HH1 ARG 56 2HH1 ARG 56 -8.336 10.255 -10.922 417 1HH2 ARG 56 1HH2 ARG 56 -5.317 10.804 -9.192 418 2HH2 ARG 56 2HH2 ARG 56 -6.274 11.243 -10.563 419 H LEU 57 H LEU 57 -6.838 7.418 -3.141 420 HA LEU 57 HA LEU 57 -8.929 5.476 -2.445 421 1HB LEU 57 1HB LEU 57 -7.314 6.097 -0.657 422 2HB LEU 57 2HB LEU 57 -7.753 7.795 -0.850 423 HG LEU 57 HG LEU 57 -10.127 7.121 -0.191 424 1HD1 LEU 57 1HD1 LEU 57 -10.417 5.043 1.028 425 2HD1 LEU 57 2HD1 LEU 57 -8.749 4.595 0.681 426 3HD1 LEU 57 3HD1 LEU 57 -9.912 4.722 -0.632 427 1HD2 LEU 57 1HD2 LEU 57 -9.602 7.105 2.211 428 2HD2 LEU 57 2HD2 LEU 57 -8.625 8.283 1.351 429 3HD2 LEU 57 3HD2 LEU 57 -7.912 6.744 1.833 430 H THR 58 H THR 58 -11.079 6.285 -2.167 431 HA THR 58 HA THR 58 -11.578 8.949 -3.352 432 HB THR 58 HB THR 58 -13.943 8.052 -3.688 433 HG1 THR 58 HG1 THR 58 -12.676 5.540 -3.249 434 1HG2 THR 58 1HG2 THR 58 -11.720 6.582 -5.129 435 2HG2 THR 58 2HG2 THR 58 -12.316 8.200 -5.549 436 3HG2 THR 58 3HG2 THR 58 -13.381 6.788 -5.697 437 H SER 59 H SER 59 -12.966 10.348 -2.297 438 HA SER 59 HA SER 59 -13.039 11.480 -0.223 439 1HB SER 59 1HB SER 59 -15.386 11.063 0.591 440 2HB SER 59 2HB SER 59 -15.256 11.289 -1.145 441 HG SER 59 HG SER 59 -15.891 9.308 -1.474 442 H GLN 60 H GLN 60 -14.767 8.742 1.046 443 HA GLN 60 HA GLN 60 -12.453 7.704 2.484 444 1HB GLN 60 1HB GLN 60 -15.038 8.432 3.892 445 2HB GLN 60 2HB GLN 60 -13.650 7.649 4.635 446 1HG GLN 60 1HG GLN 60 -12.328 9.705 4.101 447 2HG GLN 60 2HG GLN 60 -13.824 10.483 3.610 448 1HE2 GLN 60 2HE2 GLN 60 -15.349 10.950 5.176 449 2HE2 GLN 60 1HE2 GLN 60 -14.947 11.036 6.858 450 H ASN 61 H ASN 61 -14.223 6.997 0.243 451 HA ASN 61 HA ASN 61 -16.089 5.015 1.240 452 1HB ASN 61 1HB ASN 61 -16.805 6.475 -0.561 453 2HB ASN 61 2HB ASN 61 -15.471 5.960 -1.589 454 1HD2 ASN 61 2HD2 ASN 61 -17.493 3.943 0.503 455 2HD2 ASN 61 1HD2 ASN 61 -18.178 2.979 -0.763 456 H LYS 62 H LYS 62 -13.670 4.886 -1.409 457 HA LYS 62 HA LYS 62 -12.778 2.258 -0.514 458 1HB LYS 62 1HB LYS 62 -13.318 1.113 -2.591 459 2HB LYS 62 2HB LYS 62 -14.805 1.769 -1.866 460 1HG LYS 62 1HG LYS 62 -14.834 3.574 -3.447 461 2HG LYS 62 2HG LYS 62 -13.260 3.119 -4.081 462 1HD LYS 62 1HD LYS 62 -14.203 1.013 -4.928 463 2HD LYS 62 2HD LYS 62 -15.781 1.433 -4.271 464 1HE LYS 62 1HE LYS 62 -15.939 3.329 -5.751 465 2HE LYS 62 2HE LYS 62 -14.294 3.060 -6.328 466 1HZ LYS 62 1HZ LYS 62 -16.586 1.196 -6.700 467 2HZ LYS 62 2HZ LYS 62 -15.011 0.943 -7.259 468 3HZ LYS 62 3HZ LYS 62 -15.927 2.205 -7.889 469 H LEU 63 H LEU 63 -11.197 1.372 -2.274 470 HA LEU 63 HA LEU 63 -9.575 3.593 -3.330 471 1HB LEU 63 1HB LEU 63 -7.517 2.504 -2.594 472 2HB LEU 63 2HB LEU 63 -8.513 2.985 -1.237 473 HG LEU 63 HG LEU 63 -8.467 0.131 -2.268 474 1HD1 LEU 63 1HD1 LEU 63 -6.172 0.854 -1.605 475 2HD1 LEU 63 2HD1 LEU 63 -6.838 -0.397 -0.557 476 3HD1 LEU 63 3HD1 LEU 63 -6.797 1.286 -0.027 477 1HD2 LEU 63 1HD2 LEU 63 -9.293 1.356 0.382 478 2HD2 LEU 63 2HD2 LEU 63 -9.294 -0.375 0.008 479 3HD2 LEU 63 3HD2 LEU 63 -10.369 0.726 -0.845 480 H ILE 64 H ILE 64 -8.014 2.895 -4.926 481 HA ILE 64 HA ILE 64 -8.464 0.424 -6.323 482 HB ILE 64 HB ILE 64 -8.993 1.641 -8.524 483 1HG1 ILE 64 1HG1 ILE 64 -10.465 3.758 -8.094 484 2HG1 ILE 64 2HG1 ILE 64 -9.581 3.855 -6.560 485 1HG2 ILE 64 1HG2 ILE 64 -10.616 0.206 -7.458 486 2HG2 ILE 64 2HG2 ILE 64 -11.404 1.638 -8.125 487 3HG2 ILE 64 3HG2 ILE 64 -11.131 1.533 -6.390 488 1HD1 ILE 64 1HD1 ILE 64 -8.647 5.314 -8.280 489 2HD1 ILE 64 2HD1 ILE 64 -8.331 3.918 -9.304 490 3HD1 ILE 64 3HD1 ILE 64 -7.488 4.088 -7.769 491 H LEU 65 H LEU 65 -7.182 0.530 -8.504 492 HA LEU 65 HA LEU 65 -4.556 1.707 -7.849 493 1HB LEU 65 1HB LEU 65 -4.845 -0.826 -8.031 494 2HB LEU 65 2HB LEU 65 -5.146 -0.599 -9.729 495 HG LEU 65 HG LEU 65 -2.805 -1.360 -9.092 496 1HD1 LEU 65 1HD1 LEU 65 -2.962 1.166 -10.697 497 2HD1 LEU 65 2HD1 LEU 65 -3.315 -0.455 -11.296 498 3HD1 LEU 65 3HD1 LEU 65 -1.688 -0.039 -10.766 499 1HD2 LEU 65 1HD2 LEU 65 -2.474 0.043 -7.147 500 2HD2 LEU 65 2HD2 LEU 65 -2.555 1.484 -8.152 501 3HD2 LEU 65 3HD2 LEU 65 -1.221 0.357 -8.357 502 H THR 66 H THR 66 -3.352 2.661 -9.593 503 HA THR 66 HA THR 66 -4.506 3.231 -12.098 504 HB THR 66 HB THR 66 -6.010 4.703 -10.819 505 HG1 THR 66 HG1 THR 66 -5.272 6.734 -11.884 506 1HG2 THR 66 1HG2 THR 66 -5.186 6.620 -9.581 507 2HG2 THR 66 2HG2 THR 66 -3.514 6.137 -9.911 508 3HG2 THR 66 3HG2 THR 66 -4.539 5.133 -8.890 509 H LYS 67 H LYS 67 -3.138 4.964 -13.210 510 HA LYS 67 HA LYS 67 -0.759 5.867 -12.087 511 1HB LYS 67 1HB LYS 67 0.911 4.499 -13.271 512 2HB LYS 67 2HB LYS 67 -0.051 3.518 -12.166 513 1HG LYS 67 1HG LYS 67 -0.074 2.113 -13.947 514 2HG LYS 67 2HG LYS 67 -1.479 3.097 -14.373 515 1HD LYS 67 1HD LYS 67 -0.288 3.050 -16.357 516 2HD LYS 67 2HD LYS 67 0.254 4.557 -15.640 517 1HE LYS 67 1HE LYS 67 1.722 1.931 -15.506 518 2HE LYS 67 2HE LYS 67 2.110 3.259 -16.586 519 1HZ LYS 67 1HZ LYS 67 2.655 4.624 -14.689 520 2HZ LYS 67 2HZ LYS 67 3.539 3.200 -14.607 521 3HZ LYS 67 3HZ LYS 67 2.194 3.408 -13.616 522 1H MET 1 1H MET 1 -39.150 -48.028 11.108 523 2H MET 1 2H MET 1 -38.360 -47.246 9.841 524 3H MET 1 3H MET 1 -39.336 -46.362 10.909 525 HA MET 1 HA MET 1 -37.828 -46.842 12.711 526 1HB MET 1 1HB MET 1 -36.993 -49.017 11.910 527 2HB MET 1 2HB MET 1 -36.199 -48.218 10.558 528 1HG MET 1 1HG MET 1 -34.751 -47.005 12.150 529 2HG MET 1 2HG MET 1 -35.530 -47.864 13.475 530 1HE MET 1 1HE MET 1 -33.158 -48.621 14.337 531 2HE MET 1 2HE MET 1 -32.349 -47.825 12.999 532 3HE MET 1 3HE MET 1 -31.983 -49.515 13.369 533 H MET 2 H MET 2 -37.574 -44.729 12.911 534 HA MET 2 HA MET 2 -36.385 -43.112 10.851 535 1HB MET 2 1HB MET 2 -38.129 -42.187 12.291 536 2HB MET 2 2HB MET 2 -37.151 -42.484 13.709 537 1HG MET 2 1HG MET 2 -35.504 -40.860 12.925 538 2HG MET 2 2HG MET 2 -36.465 -40.559 11.491 539 1HE MET 2 1HE MET 2 -37.004 -37.232 13.507 540 2HE MET 2 2HE MET 2 -36.567 -37.934 11.939 541 3HE MET 2 3HE MET 2 -35.525 -38.175 13.331 542 H THR 3 H THR 3 -34.404 -44.351 10.675 543 HA THR 3 HA THR 3 -32.621 -44.520 12.902 544 HB THR 3 HB THR 3 -32.459 -46.219 11.232 545 HG1 THR 3 HG1 THR 3 -30.145 -44.552 10.954 546 1HG2 THR 3 1HG2 THR 3 -31.746 -45.794 8.934 547 2HG2 THR 3 2HG2 THR 3 -31.764 -44.059 9.244 548 3HG2 THR 3 3HG2 THR 3 -33.273 -44.986 9.305 549 H ALA 4 H ALA 4 -32.423 -42.419 13.658 550 HA ALA 4 HA ALA 4 -30.654 -40.677 12.056 551 1HB ALA 4 1HB ALA 4 -32.817 -39.796 13.996 552 2HB ALA 4 2HB ALA 4 -32.865 -39.657 12.239 553 3HB ALA 4 3HB ALA 4 -31.691 -38.736 13.161 554 H SER 5 H SER 5 -30.177 -42.854 14.066 555 HA SER 5 HA SER 5 -28.887 -41.320 16.216 556 1HB SER 5 1HB SER 5 -28.917 -43.550 17.412 557 2HB SER 5 2HB SER 5 -30.504 -42.872 17.082 558 HG SER 5 HG SER 5 -29.856 -45.241 16.502 559 H ASP 6 H ASP 6 -28.127 -42.576 13.335 560 HA ASP 6 HA ASP 6 -25.852 -44.173 13.693 561 1HB ASP 6 1HB ASP 6 -26.343 -42.156 11.481 562 2HB ASP 6 2HB ASP 6 -25.212 -43.497 11.425 563 H ARG 7 H ARG 7 -23.867 -43.753 14.402 564 HA ARG 7 HA ARG 7 -23.110 -40.978 14.947 565 1HB ARG 7 1HB ARG 7 -21.948 -43.602 15.923 566 2HB ARG 7 2HB ARG 7 -21.295 -42.009 16.312 567 1HG ARG 7 1HG ARG 7 -23.342 -41.413 17.462 568 2HG ARG 7 2HG ARG 7 -24.056 -42.977 17.042 569 1HD ARG 7 1HD ARG 7 -22.378 -44.136 18.346 570 2HD ARG 7 2HD ARG 7 -21.574 -42.609 18.697 571 HE ARG 7 HE ARG 7 -24.277 -42.506 19.545 572 1HH1 ARG 7 1HH1 ARG 7 -21.186 -43.908 20.376 573 2HH1 ARG 7 2HH1 ARG 7 -21.538 -44.032 22.067 574 1HH2 ARG 7 1HH2 ARG 7 -24.752 -42.656 21.796 575 2HH2 ARG 7 2HH2 ARG 7 -23.585 -43.323 22.872 576 H LEU 8 H LEU 8 -21.825 -39.988 13.550 577 HA LEU 8 HA LEU 8 -19.543 -41.341 12.393 578 1HB LEU 8 1HB LEU 8 -20.062 -40.855 10.095 579 2HB LEU 8 2HB LEU 8 -21.363 -41.821 10.751 580 HG LEU 8 HG LEU 8 -21.489 -38.810 10.380 581 1HD1 LEU 8 1HD1 LEU 8 -22.624 -41.035 8.663 582 2HD1 LEU 8 2HD1 LEU 8 -21.312 -39.929 8.222 583 3HD1 LEU 8 3HD1 LEU 8 -22.947 -39.307 8.463 584 1HD2 LEU 8 1HD2 LEU 8 -22.987 -39.673 12.138 585 2HD2 LEU 8 2HD2 LEU 8 -23.686 -40.811 10.978 586 3HD2 LEU 8 3HD2 LEU 8 -23.888 -39.075 10.743 587 H GLY 9 H GLY 9 -18.024 -39.814 11.476 588 1HA GLY 9 1HA GLY 9 -18.423 -37.046 11.238 589 2HA GLY 9 2HA GLY 9 -17.866 -37.372 12.882 590 H ALA 10 H ALA 10 -16.752 -36.304 10.096 591 HA ALA 10 HA ALA 10 -14.194 -37.750 10.207 592 1HB ALA 10 1HB ALA 10 -13.721 -36.760 8.003 593 2HB ALA 10 2HB ALA 10 -15.275 -35.924 8.071 594 3HB ALA 10 3HB ALA 10 -15.235 -37.687 8.012 595 H ASP 11 H ASP 11 -12.647 -36.846 11.353 596 HA ASP 11 HA ASP 11 -12.769 -34.143 12.239 597 1HB ASP 11 1HB ASP 11 -11.851 -35.863 13.691 598 2HB ASP 11 2HB ASP 11 -10.606 -36.239 12.516 599 HA PRO 12 HA PRO 12 -10.881 -32.468 8.570 600 1HB PRO 12 1HB PRO 12 -10.388 -29.948 9.520 601 2HB PRO 12 2HB PRO 12 -11.987 -30.486 9.017 602 1HG PRO 12 1HG PRO 12 -10.816 -30.361 11.777 603 2HG PRO 12 2HG PRO 12 -12.415 -29.844 11.226 604 1HD PRO 12 1HD PRO 12 -12.082 -32.185 12.485 605 2HD PRO 12 2HD PRO 12 -13.237 -32.019 11.153 606 H THR 13 H THR 13 -9.367 -31.978 11.739 607 HA THR 13 HA THR 13 -7.216 -32.253 12.466 608 HB THR 13 HB THR 13 -6.533 -33.229 9.688 609 HG1 THR 13 HG1 THR 13 -8.139 -34.300 11.484 610 1HG2 THR 13 1HG2 THR 13 -4.587 -32.644 11.009 611 2HG2 THR 13 2HG2 THR 13 -4.690 -34.398 10.819 612 3HG2 THR 13 3HG2 THR 13 -5.178 -33.636 12.338 613 H GLN 14 H GLN 14 -7.012 -31.080 9.094 614 HA GLN 14 HA GLN 14 -4.739 -29.492 9.540 615 1HB GLN 14 1HB GLN 14 -6.810 -29.367 7.343 616 2HB GLN 14 2HB GLN 14 -5.250 -28.526 7.308 617 1HG GLN 14 1HG GLN 14 -5.674 -31.522 7.390 618 2HG GLN 14 2HG GLN 14 -5.196 -30.569 5.982 619 1HE2 GLN 14 2HE2 GLN 14 -3.092 -29.674 5.929 620 2HE2 GLN 14 1HE2 GLN 14 -1.832 -30.264 6.950 621 H ALA 15 H ALA 15 -4.495 -27.341 9.881 622 HA ALA 15 HA ALA 15 -6.711 -25.495 9.852 623 1HB ALA 15 1HB ALA 15 -6.397 -24.733 12.154 624 2HB ALA 15 2HB ALA 15 -5.215 -26.005 12.422 625 3HB ALA 15 3HB ALA 15 -6.901 -26.421 12.118 626 H ALA 16 H ALA 16 -5.594 -24.393 8.264 627 HA ALA 16 HA ALA 16 -2.791 -23.873 8.423 628 1HB ALA 16 1HB ALA 16 -3.938 -24.228 6.291 629 2HB ALA 16 2HB ALA 16 -3.123 -22.668 6.319 630 3HB ALA 16 3HB ALA 16 -4.863 -22.745 6.551 631 H SER 17 H SER 17 -1.714 -22.095 9.050 632 HA SER 17 HA SER 17 -3.081 -19.541 9.347 633 1HB SER 17 1HB SER 17 -1.527 -20.824 11.622 634 2HB SER 17 2HB SER 17 -2.159 -19.182 11.629 635 HG SER 17 HG SER 17 -4.065 -21.030 11.002 636 H SER 18 H SER 18 -1.891 -18.202 8.196 637 HA SER 18 HA SER 18 0.778 -18.838 7.389 638 1HB SER 18 1HB SER 18 -0.754 -16.243 6.991 639 2HB SER 18 2HB SER 18 0.632 -16.814 6.057 640 HG SER 18 HG SER 18 -0.896 -18.757 5.706 641 HA PRO 19 HA PRO 19 3.032 -17.045 10.736 642 1HB PRO 19 1HB PRO 19 5.332 -16.373 9.386 643 2HB PRO 19 2HB PRO 19 4.953 -17.987 9.977 644 1HG PRO 19 1HG PRO 19 4.635 -16.852 7.229 645 2HG PRO 19 2HG PRO 19 5.213 -18.462 7.730 646 1HD PRO 19 1HD PRO 19 2.713 -18.075 6.800 647 2HD PRO 19 2HD PRO 19 3.048 -19.263 8.075 648 H GLY 20 H GLY 20 3.824 -15.016 11.489 649 1HA GLY 20 1HA GLY 20 2.527 -12.765 10.167 650 2HA GLY 20 2HA GLY 20 3.245 -12.769 11.778 651 H GLY 21 H GLY 21 5.006 -11.575 11.998 652 1HA GLY 21 1HA GLY 21 7.237 -10.961 11.402 653 2HA GLY 21 2HA GLY 21 6.838 -11.275 9.716 654 H ALA 22 H ALA 22 6.938 -8.888 12.224 655 HA ALA 22 HA ALA 22 5.319 -7.026 10.606 656 1HB ALA 22 1HB ALA 22 5.954 -6.907 13.557 657 2HB ALA 22 2HB ALA 22 4.414 -7.427 12.847 658 3HB ALA 22 3HB ALA 22 4.963 -5.758 12.654 659 H ARG 23 H ARG 23 6.179 -5.089 10.029 660 HA ARG 23 HA ARG 23 8.863 -4.365 10.920 661 1HB ARG 23 1HB ARG 23 9.819 -4.284 8.761 662 2HB ARG 23 2HB ARG 23 9.011 -5.859 8.848 663 1HG ARG 23 1HG ARG 23 7.024 -4.389 7.784 664 2HG ARG 23 2HG ARG 23 8.386 -3.464 7.165 665 1HD ARG 23 1HD ARG 23 7.783 -5.115 5.541 666 2HD ARG 23 2HD ARG 23 9.318 -5.618 6.283 667 HE ARG 23 HE ARG 23 8.030 -7.208 7.597 668 1HH1 ARG 23 1HH1 ARG 23 6.480 -5.882 4.744 669 2HH1 ARG 23 2HH1 ARG 23 5.298 -7.147 4.644 670 1HH2 ARG 23 1HH2 ARG 23 6.457 -8.835 7.504 671 2HH2 ARG 23 2HH2 ARG 23 5.264 -8.829 6.246 672 H ALA 24 H ALA 24 9.437 -2.154 10.123 673 HA ALA 24 HA ALA 24 7.007 -0.497 9.847 674 1HB ALA 24 1HB ALA 24 9.668 0.229 11.088 675 2HB ALA 24 2HB ALA 24 8.175 -0.108 11.965 676 3HB ALA 24 3HB ALA 24 8.288 1.306 10.912 677 H VAL 25 H VAL 25 6.787 -0.018 7.762 678 HA VAL 25 HA VAL 25 9.138 0.596 6.129 679 HB VAL 25 HB VAL 25 7.631 0.494 4.201 680 1HG1 VAL 25 1HG1 VAL 25 7.370 -1.883 6.064 681 2HG1 VAL 25 2HG1 VAL 25 8.698 -1.566 4.936 682 3HG1 VAL 25 3HG1 VAL 25 7.076 -1.928 4.326 683 1HG2 VAL 25 1HG2 VAL 25 5.269 -0.283 4.540 684 2HG2 VAL 25 2HG2 VAL 25 5.602 1.340 5.142 685 3HG2 VAL 25 3HG2 VAL 25 5.474 -0.016 6.281 686 H SER 26 H SER 26 9.338 2.596 5.023 687 HA SER 26 HA SER 26 7.859 4.750 6.381 688 1HB SER 26 1HB SER 26 9.757 6.183 5.445 689 2HB SER 26 2HB SER 26 10.214 4.981 6.659 690 HG SER 26 HG SER 26 10.302 4.018 4.098 691 H ILE 27 H ILE 27 7.180 6.554 5.251 692 HA ILE 27 HA ILE 27 6.561 6.203 2.383 693 HB ILE 27 HB ILE 27 4.708 7.444 4.433 694 1HG1 ILE 27 1HG1 ILE 27 4.802 5.045 4.821 695 2HG1 ILE 27 2HG1 ILE 27 3.238 5.487 4.139 696 1HG2 ILE 27 1HG2 ILE 27 3.039 7.387 2.608 697 2HG2 ILE 27 2HG2 ILE 27 4.298 6.835 1.500 698 3HG2 ILE 27 3HG2 ILE 27 4.423 8.426 2.255 699 1HD1 ILE 27 1HD1 ILE 27 4.012 3.438 3.143 700 2HD1 ILE 27 2HD1 ILE 27 5.543 4.184 2.689 701 3HD1 ILE 27 3HD1 ILE 27 4.045 4.713 1.918 702 H VAL 28 H VAL 28 7.130 7.953 1.182 703 HA VAL 28 HA VAL 28 8.044 10.344 2.668 704 HB VAL 28 HB VAL 28 9.329 10.882 0.546 705 1HG1 VAL 28 1HG1 VAL 28 11.099 9.221 0.993 706 2HG1 VAL 28 2HG1 VAL 28 9.970 8.296 1.976 707 3HG1 VAL 28 3HG1 VAL 28 10.432 9.929 2.463 708 1HG2 VAL 28 1HG2 VAL 28 8.046 9.496 -1.027 709 2HG2 VAL 28 2HG2 VAL 28 8.564 8.052 -0.170 710 3HG2 VAL 28 3HG2 VAL 28 9.750 9.033 -1.019 711 H GLY 29 H GLY 29 6.212 11.521 2.860 712 1HA GLY 29 1HA GLY 29 4.585 13.022 2.216 713 2HA GLY 29 2HA GLY 29 5.194 12.910 0.563 714 H ASN 30 H ASN 30 4.599 10.955 -0.639 715 HA ASN 30 HA ASN 30 2.427 9.330 0.273 716 1HB ASN 30 1HB ASN 30 0.804 9.985 -1.450 717 2HB ASN 30 2HB ASN 30 1.173 11.353 -0.426 718 1HD2 ASN 30 2HD2 ASN 30 0.071 11.330 -3.079 719 2HD2 ASN 30 1HD2 ASN 30 1.161 12.227 -4.074 720 H GLN 31 H GLN 31 4.715 8.315 -0.227 721 HA GLN 31 HA GLN 31 4.388 6.876 -2.717 722 1HB GLN 31 1HB GLN 31 5.781 8.914 -3.242 723 2HB GLN 31 2HB GLN 31 6.994 8.275 -2.172 724 1HG GLN 31 1HG GLN 31 6.195 6.320 -4.121 725 2HG GLN 31 2HG GLN 31 6.715 7.803 -4.891 726 1HE2 GLN 31 2HE2 GLN 31 8.547 6.941 -5.759 727 2HE2 GLN 31 1HE2 GLN 31 9.917 6.462 -4.821 728 H ILE 32 H ILE 32 5.683 4.984 -2.829 729 HA ILE 32 HA ILE 32 7.355 4.139 -0.670 730 HB ILE 32 HB ILE 32 5.130 3.841 0.392 731 1HG1 ILE 32 1HG1 ILE 32 6.558 1.244 -0.290 732 2HG1 ILE 32 2HG1 ILE 32 6.982 2.326 1.031 733 1HG2 ILE 32 1HG2 ILE 32 3.571 2.149 -0.470 734 2HG2 ILE 32 2HG2 ILE 32 4.611 1.906 -1.877 735 3HG2 ILE 32 3HG2 ILE 32 3.819 3.461 -1.626 736 1HD1 ILE 32 1HD1 ILE 32 5.784 0.399 1.839 737 2HD1 ILE 32 2HD1 ILE 32 4.411 0.793 0.795 738 3HD1 ILE 32 3HD1 ILE 32 4.857 1.878 2.108 739 H ASP 33 H ASP 33 8.174 1.887 -1.106 740 HA ASP 33 HA ASP 33 8.029 1.244 -3.975 741 1HB ASP 33 1HB ASP 33 10.296 1.728 -2.891 742 2HB ASP 33 2HB ASP 33 10.085 0.225 -1.999 743 H SER 34 H SER 34 7.183 -0.654 -4.640 744 HA SER 34 HA SER 34 5.420 -2.065 -3.107 745 1HB SER 34 1HB SER 34 5.329 -2.061 -5.534 746 2HB SER 34 2HB SER 34 6.869 -2.905 -5.643 747 HG SER 34 HG SER 34 5.073 -4.264 -4.126 748 H ARG 35 H ARG 35 8.856 -2.675 -3.539 749 HA ARG 35 HA ARG 35 8.923 -5.366 -2.714 750 1HB ARG 35 1HB ARG 35 10.981 -3.176 -2.695 751 2HB ARG 35 2HB ARG 35 11.370 -4.794 -2.119 752 1HG ARG 35 1HG ARG 35 10.378 -4.099 -4.885 753 2HG ARG 35 2HG ARG 35 12.065 -4.405 -4.449 754 1HD ARG 35 1HD ARG 35 9.780 -6.370 -4.210 755 2HD ARG 35 2HD ARG 35 11.039 -6.385 -5.460 756 HE ARG 35 HE ARG 35 12.543 -6.559 -3.303 757 1HH1 ARG 35 1HH1 ARG 35 9.549 -8.247 -4.003 758 2HH1 ARG 35 2HH1 ARG 35 9.917 -9.581 -2.958 759 1HH2 ARG 35 1HH2 ARG 35 13.034 -8.310 -1.984 760 2HH2 ARG 35 2HH2 ARG 35 11.927 -9.648 -1.826 761 H GLU 36 H GLU 36 8.959 -2.363 -0.863 762 HA GLU 36 HA GLU 36 9.746 -3.392 1.610 763 1HB GLU 36 1HB GLU 36 7.792 -1.122 1.137 764 2HB GLU 36 2HB GLU 36 8.776 -1.372 2.569 765 1HG GLU 36 1HG GLU 36 9.821 -0.732 -0.182 766 2HG GLU 36 2HG GLU 36 9.614 0.431 1.134 767 H LEU 37 H LEU 37 6.586 -3.267 0.061 768 HA LEU 37 HA LEU 37 5.143 -4.141 2.419 769 1HB LEU 37 1HB LEU 37 4.306 -3.914 -0.495 770 2HB LEU 37 2HB LEU 37 3.235 -4.294 0.829 771 HG LEU 37 HG LEU 37 4.739 -1.691 0.489 772 1HD1 LEU 37 1HD1 LEU 37 1.798 -2.341 0.156 773 2HD1 LEU 37 2HD1 LEU 37 2.930 -1.917 -1.128 774 3HD1 LEU 37 3HD1 LEU 37 2.514 -0.723 0.094 775 1HD2 LEU 37 1HD2 LEU 37 3.418 -0.912 2.402 776 2HD2 LEU 37 2HD2 LEU 37 4.462 -2.254 2.844 777 3HD2 LEU 37 3HD2 LEU 37 2.735 -2.539 2.592 778 H PHE 38 H PHE 38 5.964 -5.609 -0.736 779 HA PHE 38 HA PHE 38 4.953 -8.199 0.144 780 1HB PHE 38 1HB PHE 38 6.183 -7.362 -2.492 781 2HB PHE 38 2HB PHE 38 5.383 -8.901 -2.174 782 HD1 PHE 38 HD1 PHE 38 2.929 -8.919 -1.640 783 HD2 PHE 38 HD2 PHE 38 4.920 -5.429 -3.055 784 HE1 PHE 38 HE1 PHE 38 0.765 -7.945 -2.279 785 HE2 PHE 38 HE2 PHE 38 2.769 -4.440 -3.682 786 HZ PHE 38 HZ PHE 38 0.692 -5.708 -3.293 787 H THR 39 H THR 39 7.334 -7.192 1.496 788 HA THR 39 HA THR 39 9.646 -8.477 0.434 789 HB THR 39 HB THR 39 9.783 -6.444 1.843 790 HG1 THR 39 HG1 THR 39 11.097 -8.717 2.971 791 1HG2 THR 39 1HG2 THR 39 8.969 -8.274 4.105 792 2HG2 THR 39 2HG2 THR 39 7.997 -6.971 3.427 793 3HG2 THR 39 3HG2 THR 39 9.508 -6.608 4.275 794 H VAL 40 H VAL 40 6.974 -9.866 1.701 795 HA VAL 40 HA VAL 40 8.474 -12.232 2.481 796 HB VAL 40 HB VAL 40 8.255 -11.233 4.632 797 1HG1 VAL 40 1HG1 VAL 40 6.427 -9.661 4.133 798 2HG1 VAL 40 2HG1 VAL 40 6.159 -10.536 5.643 799 3HG1 VAL 40 3HG1 VAL 40 5.267 -11.002 4.195 800 1HG2 VAL 40 1HG2 VAL 40 7.929 -13.640 4.584 801 2HG2 VAL 40 2HG2 VAL 40 6.196 -13.416 4.319 802 3HG2 VAL 40 3HG2 VAL 40 6.925 -12.914 5.843 803 H ASP 41 H ASP 41 5.149 -10.922 2.376 804 HA ASP 41 HA ASP 41 4.311 -13.379 0.965 805 1HB ASP 41 1HB ASP 41 3.189 -12.711 3.167 806 2HB ASP 41 2HB ASP 41 2.492 -11.345 2.292 807 H ARG 42 H ARG 42 3.185 -13.158 -1.023 808 HA ARG 42 HA ARG 42 3.791 -10.673 -2.401 809 1HB ARG 42 1HB ARG 42 4.336 -13.016 -3.284 810 2HB ARG 42 2HB ARG 42 2.607 -13.202 -3.547 811 1HG ARG 42 1HG ARG 42 2.671 -11.266 -5.076 812 2HG ARG 42 2HG ARG 42 4.418 -11.176 -4.840 813 1HD ARG 42 1HD ARG 42 3.850 -12.351 -6.918 814 2HD ARG 42 2HD ARG 42 4.656 -13.435 -5.774 815 HE ARG 42 HE ARG 42 1.710 -13.439 -5.936 816 1HH1 ARG 42 1HH1 ARG 42 4.751 -15.072 -6.523 817 2HH1 ARG 42 2HH1 ARG 42 4.022 -16.636 -6.668 818 1HH2 ARG 42 1HH2 ARG 42 0.741 -15.487 -6.168 819 2HH2 ARG 42 2HH2 ARG 42 1.735 -16.876 -6.477 820 H GLU 43 H GLU 43 1.515 -11.165 -0.423 821 HA GLU 43 HA GLU 43 -0.359 -9.514 -1.900 822 1HB GLU 43 1HB GLU 43 -1.284 -11.746 -2.294 823 2HB GLU 43 2HB GLU 43 -1.250 -12.106 -0.580 824 1HG GLU 43 1HG GLU 43 -2.949 -10.477 -0.124 825 2HG GLU 43 2HG GLU 43 -2.888 -9.897 -1.790 826 H ILE 44 H ILE 44 -1.417 -8.077 -0.592 827 HA ILE 44 HA ILE 44 -0.672 -8.103 2.255 828 HB ILE 44 HB ILE 44 -0.824 -5.688 0.450 829 1HG1 ILE 44 1HG1 ILE 44 1.176 -7.030 -0.012 830 2HG1 ILE 44 2HG1 ILE 44 1.594 -5.503 0.769 831 1HG2 ILE 44 1HG2 ILE 44 -1.520 -5.169 2.720 832 2HG2 ILE 44 2HG2 ILE 44 0.046 -4.431 2.368 833 3HG2 ILE 44 3HG2 ILE 44 -0.044 -5.895 3.358 834 1HD1 ILE 44 1HD1 ILE 44 1.438 -8.179 2.140 835 2HD1 ILE 44 2HD1 ILE 44 1.918 -6.651 2.890 836 3HD1 ILE 44 3HD1 ILE 44 2.925 -7.369 1.631 837 H VAL 45 H VAL 45 -2.253 -7.336 3.666 838 HA VAL 45 HA VAL 45 -4.934 -6.991 2.538 839 HB VAL 45 HB VAL 45 -4.150 -7.657 5.396 840 1HG1 VAL 45 1HG1 VAL 45 -6.279 -6.444 5.260 841 2HG1 VAL 45 2HG1 VAL 45 -6.565 -8.118 5.711 842 3HG1 VAL 45 3HG1 VAL 45 -6.879 -7.580 4.065 843 1HG2 VAL 45 1HG2 VAL 45 -3.639 -9.481 3.830 844 2HG2 VAL 45 2HG2 VAL 45 -5.302 -9.461 3.248 845 3HG2 VAL 45 3HG2 VAL 45 -4.968 -9.923 4.906 846 H ILE 46 H ILE 46 -6.174 -5.238 3.075 847 HA ILE 46 HA ILE 46 -4.854 -3.033 4.500 848 HB ILE 46 HB ILE 46 -6.223 -2.718 1.801 849 1HG1 ILE 46 1HG1 ILE 46 -3.292 -2.495 2.508 850 2HG1 ILE 46 2HG1 ILE 46 -4.028 -3.784 1.559 851 1HG2 ILE 46 1HG2 ILE 46 -6.548 -0.790 3.266 852 2HG2 ILE 46 2HG2 ILE 46 -5.490 -0.395 1.931 853 3HG2 ILE 46 3HG2 ILE 46 -4.808 -0.684 3.526 854 1HD1 ILE 46 1HD1 ILE 46 -4.668 -2.094 -0.142 855 2HD1 ILE 46 2HD1 ILE 46 -2.924 -2.227 0.090 856 3HD1 ILE 46 3HD1 ILE 46 -3.809 -0.878 0.797 857 H ALA 47 H ALA 47 -6.224 -2.694 6.197 858 HA ALA 47 HA ALA 47 -9.059 -3.164 5.896 859 1HB ALA 47 1HB ALA 47 -9.177 -2.618 8.258 860 2HB ALA 47 2HB ALA 47 -7.491 -2.090 8.239 861 3HB ALA 47 3HB ALA 47 -7.884 -3.798 7.959 862 H HIS 48 H HIS 48 -10.580 -1.634 5.556 863 HA HIS 48 HA HIS 48 -10.009 1.173 6.069 864 1HB HIS 48 1HB HIS 48 -9.276 0.917 3.760 865 2HB HIS 48 2HB HIS 48 -10.793 0.132 3.335 866 HD1 HIS 48 HD1 HIS 48 -9.610 3.552 4.630 867 HD2 HIS 48 HD2 HIS 48 -12.711 1.809 2.458 868 HE1 HIS 48 HE1 HIS 48 -11.022 5.458 3.806 869 HE2 HIS 48 HE2 HIS 48 -13.030 4.360 2.773 870 H GLY 49 H GLY 49 -11.574 1.307 7.592 871 1HA GLY 49 1HA GLY 49 -13.780 2.192 7.932 872 2HA GLY 49 2HA GLY 49 -14.323 1.277 6.542 873 H ASP 50 H ASP 50 -14.616 -0.939 6.709 874 HA ASP 50 HA ASP 50 -14.072 -2.270 9.242 875 1HB ASP 50 1HB ASP 50 -16.368 -1.311 9.529 876 2HB ASP 50 2HB ASP 50 -16.900 -2.246 8.133 877 H ASP 51 H ASP 51 -13.929 -2.220 5.964 878 HA ASP 51 HA ASP 51 -14.479 -5.074 5.558 879 1HB ASP 51 1HB ASP 51 -15.603 -3.535 4.049 880 2HB ASP 51 2HB ASP 51 -14.078 -2.776 3.611 881 H ARG 52 H ARG 52 -12.854 -6.015 3.847 882 HA ARG 52 HA ARG 52 -10.126 -5.252 4.619 883 1HB ARG 52 1HB ARG 52 -11.115 -8.079 4.197 884 2HB ARG 52 2HB ARG 52 -9.469 -7.623 4.616 885 1HG ARG 52 1HG ARG 52 -11.909 -7.138 6.344 886 2HG ARG 52 2HG ARG 52 -10.786 -8.488 6.536 887 1HD ARG 52 1HD ARG 52 -8.993 -6.967 7.080 888 2HD ARG 52 2HD ARG 52 -9.986 -5.573 6.706 889 HE ARG 52 HE ARG 52 -11.413 -6.751 8.632 890 1HH1 ARG 52 1HH1 ARG 52 -8.005 -6.021 8.419 891 2HH1 ARG 52 2HH1 ARG 52 -7.845 -5.644 10.104 892 1HH2 ARG 52 1HH2 ARG 52 -11.202 -6.311 10.861 893 2HH2 ARG 52 2HH2 ARG 52 -9.652 -5.861 11.510 894 H TYR 53 H TYR 53 -8.995 -4.644 2.908 895 HA TYR 53 HA TYR 53 -9.722 -5.691 0.247 896 1HB TYR 53 1HB TYR 53 -8.220 -3.181 1.080 897 2HB TYR 53 2HB TYR 53 -8.319 -3.763 -0.581 898 HD1 TYR 53 HD2 TYR 53 -10.262 -2.357 2.228 899 HD2 TYR 53 HD1 TYR 53 -10.333 -3.521 -1.865 900 HE1 TYR 53 HE2 TYR 53 -12.420 -1.210 1.951 901 HE2 TYR 53 HE1 TYR 53 -12.495 -2.394 -2.162 902 HH TYR 53 HH TYR 53 -13.818 -0.329 0.282 903 H ARG 54 H ARG 54 -7.808 -6.039 -1.222 904 HA ARG 54 HA ARG 54 -5.416 -6.893 0.240 905 1HB ARG 54 1HB ARG 54 -7.046 -8.615 -1.622 906 2HB ARG 54 2HB ARG 54 -5.383 -8.981 -1.209 907 1HG ARG 54 1HG ARG 54 -6.081 -9.044 1.208 908 2HG ARG 54 2HG ARG 54 -7.751 -8.900 0.668 909 1HD ARG 54 1HD ARG 54 -7.520 -10.969 -0.615 910 2HD ARG 54 2HD ARG 54 -5.834 -11.110 -0.110 911 HE ARG 54 HE ARG 54 -7.888 -11.026 1.966 912 1HH1 ARG 54 1HH1 ARG 54 -5.535 -12.900 0.166 913 2HH1 ARG 54 2HH1 ARG 54 -5.597 -14.261 1.241 914 1HH2 ARG 54 1HH2 ARG 54 -8.006 -12.847 3.364 915 2HH2 ARG 54 2HH2 ARG 54 -7.002 -14.228 3.042 916 H LEU 55 H LEU 55 -3.701 -6.115 -0.670 917 HA LEU 55 HA LEU 55 -3.709 -5.306 -3.500 918 1HB LEU 55 1HB LEU 55 -2.923 -3.654 -1.819 919 2HB LEU 55 2HB LEU 55 -1.659 -4.770 -1.336 920 HG LEU 55 HG LEU 55 -0.674 -4.613 -3.610 921 1HD1 LEU 55 1HD1 LEU 55 -1.413 -2.879 -5.147 922 2HD1 LEU 55 2HD1 LEU 55 -2.764 -2.485 -4.089 923 3HD1 LEU 55 3HD1 LEU 55 -2.686 -4.061 -4.875 924 1HD2 LEU 55 1HD2 LEU 55 0.235 -2.355 -3.365 925 2HD2 LEU 55 2HD2 LEU 55 0.153 -3.185 -1.818 926 3HD2 LEU 55 3HD2 LEU 55 -1.036 -1.963 -2.205 927 H ARG 56 H ARG 56 -3.035 -6.811 -4.885 928 HA ARG 56 HA ARG 56 -1.293 -8.948 -3.866 929 1HB ARG 56 1HB ARG 56 -3.463 -9.824 -4.468 930 2HB ARG 56 2HB ARG 56 -3.419 -9.030 -6.032 931 1HG ARG 56 1HG ARG 56 -1.653 -10.488 -6.787 932 2HG ARG 56 2HG ARG 56 -1.504 -11.215 -5.186 933 1HD ARG 56 1HD ARG 56 -3.951 -11.366 -6.936 934 2HD ARG 56 2HD ARG 56 -2.754 -12.647 -6.766 935 HE ARG 56 HE ARG 56 -4.145 -11.659 -4.379 936 1HH1 ARG 56 1HH1 ARG 56 -3.689 -14.239 -6.731 937 2HH1 ARG 56 2HH1 ARG 56 -4.393 -15.456 -5.717 938 1HH2 ARG 56 1HH2 ARG 56 -5.065 -13.246 -3.065 939 2HH2 ARG 56 2HH2 ARG 56 -5.195 -14.877 -3.636 940 H LEU 57 H LEU 57 0.566 -9.379 -4.830 941 HA LEU 57 HA LEU 57 1.304 -7.847 -7.248 942 1HB LEU 57 1HB LEU 57 2.704 -7.537 -5.187 943 2HB LEU 57 2HB LEU 57 3.059 -9.253 -5.177 944 HG LEU 57 HG LEU 57 4.158 -8.937 -7.422 945 1HD1 LEU 57 1HD1 LEU 57 3.079 -6.911 -8.136 946 2HD1 LEU 57 2HD1 LEU 57 4.818 -6.648 -8.064 947 3HD1 LEU 57 3HD1 LEU 57 3.781 -6.021 -6.791 948 1HD2 LEU 57 1HD2 LEU 57 5.518 -9.109 -5.403 949 2HD2 LEU 57 2HD2 LEU 57 5.280 -7.387 -5.104 950 3HD2 LEU 57 3HD2 LEU 57 6.222 -7.906 -6.498 951 H THR 58 H THR 58 2.297 -9.011 -8.947 952 HA THR 58 HA THR 58 1.908 -11.938 -8.880 953 HB THR 58 HB THR 58 1.996 -11.774 -11.373 954 HG1 THR 58 HG1 THR 58 1.844 -8.963 -10.935 955 1HG2 THR 58 1HG2 THR 58 -0.208 -10.619 -11.688 956 2HG2 THR 58 2HG2 THR 58 -0.113 -10.111 -10.001 957 3HG2 THR 58 3HG2 THR 58 -0.203 -11.831 -10.395 958 H SER 59 H SER 59 3.625 -13.250 -9.623 959 HA SER 59 HA SER 59 5.852 -13.706 -8.901 960 1HB SER 59 1HB SER 59 6.087 -12.580 -11.703 961 2HB SER 59 2HB SER 59 7.076 -13.863 -10.967 962 HG SER 59 HG SER 59 5.534 -15.264 -11.350 963 H GLN 60 H GLN 60 6.860 -11.187 -11.071 964 HA GLN 60 HA GLN 60 7.394 -9.271 -8.937 965 1HB GLN 60 1HB GLN 60 9.680 -8.890 -9.681 966 2HB GLN 60 2HB GLN 60 9.490 -10.542 -9.144 967 1HG GLN 60 1HG GLN 60 9.279 -11.262 -11.512 968 2HG GLN 60 2HG GLN 60 9.590 -9.583 -11.995 969 1HE2 GLN 60 2HE2 GLN 60 11.621 -8.675 -11.580 970 2HE2 GLN 60 1HE2 GLN 60 13.035 -9.660 -11.358 971 H ASN 61 H ASN 61 5.557 -9.669 -11.227 972 HA ASN 61 HA ASN 61 6.512 -7.989 -13.375 973 1HB ASN 61 1HB ASN 61 5.357 -10.041 -13.931 974 2HB ASN 61 2HB ASN 61 3.946 -9.563 -13.015 975 1HD2 ASN 61 2HD2 ASN 61 5.798 -7.467 -15.125 976 2HD2 ASN 61 1HD2 ASN 61 4.542 -7.241 -16.293 977 H LYS 62 H LYS 62 3.393 -8.077 -11.656 978 HA LYS 62 HA LYS 62 3.379 -5.180 -11.396 979 1HB LYS 62 1HB LYS 62 1.083 -5.108 -12.553 980 2HB LYS 62 2HB LYS 62 2.513 -5.218 -13.583 981 1HG LYS 62 1HG LYS 62 0.908 -6.676 -14.529 982 2HG LYS 62 2HG LYS 62 2.096 -7.706 -13.715 983 1HD LYS 62 1HD LYS 62 0.588 -8.100 -11.886 984 2HD LYS 62 2HD LYS 62 -0.571 -6.935 -12.526 985 1HE LYS 62 1HE LYS 62 -1.164 -9.329 -12.985 986 2HE LYS 62 2HE LYS 62 -1.043 -8.300 -14.408 987 1HZ LYS 62 1HZ LYS 62 1.095 -10.140 -13.453 988 2HZ LYS 62 2HZ LYS 62 1.154 -9.193 -14.859 989 3HZ LYS 62 3HZ LYS 62 0.037 -10.446 -14.736 990 H LEU 63 H LEU 63 1.103 -4.530 -10.511 991 HA LEU 63 HA LEU 63 0.238 -6.524 -8.543 992 1HB LEU 63 1HB LEU 63 0.099 -4.778 -6.807 993 2HB LEU 63 2HB LEU 63 1.741 -5.135 -7.313 994 HG LEU 63 HG LEU 63 0.229 -2.755 -8.403 995 1HD1 LEU 63 1HD1 LEU 63 0.266 -2.573 -5.965 996 2HD1 LEU 63 2HD1 LEU 63 1.332 -1.378 -6.700 997 3HD1 LEU 63 3HD1 LEU 63 2.004 -2.823 -5.950 998 1HD2 LEU 63 1HD2 LEU 63 2.215 -3.389 -9.673 999 2HD2 LEU 63 2HD2 LEU 63 3.187 -3.406 -8.204 1000 3HD2 LEU 63 3HD2 LEU 63 2.519 -1.884 -8.789 1001 H ILE 64 H ILE 64 -1.854 -5.989 -7.565 1002 HA ILE 64 HA ILE 64 -3.623 -4.206 -8.998 1003 HB ILE 64 HB ILE 64 -5.260 -6.107 -9.524 1004 1HG1 ILE 64 1HG1 ILE 64 -3.994 -8.268 -10.226 1005 2HG1 ILE 64 2HG1 ILE 64 -2.727 -7.706 -9.143 1006 1HG2 ILE 64 1HG2 ILE 64 -2.761 -5.835 -11.184 1007 2HG2 ILE 64 2HG2 ILE 64 -4.173 -4.774 -11.247 1008 3HG2 ILE 64 3HG2 ILE 64 -4.322 -6.468 -11.756 1009 1HD1 ILE 64 1HD1 ILE 64 -4.294 -7.757 -7.273 1010 2HD1 ILE 64 2HD1 ILE 64 -4.174 -9.322 -8.073 1011 3HD1 ILE 64 3HD1 ILE 64 -5.567 -8.293 -8.368 1012 H LEU 65 H LEU 65 -5.986 -4.619 -8.152 1013 HA LEU 65 HA LEU 65 -5.748 -4.950 -5.248 1014 1HB LEU 65 1HB LEU 65 -6.443 -2.708 -6.141 1015 2HB LEU 65 2HB LEU 65 -7.870 -3.460 -6.829 1016 HG LEU 65 HG LEU 65 -8.638 -4.077 -4.563 1017 1HD1 LEU 65 1HD1 LEU 65 -6.446 -4.246 -3.480 1018 2HD1 LEU 65 2HD1 LEU 65 -7.519 -3.162 -2.595 1019 3HD1 LEU 65 3HD1 LEU 65 -6.234 -2.499 -3.607 1020 1HD2 LEU 65 1HD2 LEU 65 -9.372 -1.983 -5.582 1021 2HD2 LEU 65 2HD2 LEU 65 -7.972 -1.166 -4.893 1022 3HD2 LEU 65 3HD2 LEU 65 -9.215 -1.818 -3.824 1023 H THR 66 H THR 66 -7.508 -6.045 -4.152 1024 HA THR 66 HA THR 66 -9.428 -7.565 -5.544 1025 HB THR 66 HB THR 66 -7.426 -8.873 -6.256 1026 HG1 THR 66 HG1 THR 66 -9.233 -10.113 -6.152 1027 1HG2 THR 66 1HG2 THR 66 -5.997 -8.536 -4.288 1028 2HG2 THR 66 2HG2 THR 66 -6.194 -10.254 -4.654 1029 3HG2 THR 66 3HG2 THR 66 -7.112 -9.530 -3.319 1030 H LYS 67 H LYS 67 -10.439 -9.204 -3.963 1031 HA LYS 67 HA LYS 67 -9.689 -9.646 -1.386 1032 1HB LYS 67 1HB LYS 67 -10.874 -8.189 0.039 1033 2HB LYS 67 2HB LYS 67 -10.125 -7.123 -1.128 1034 1HG LYS 67 1HG LYS 67 -12.200 -6.186 -1.038 1035 2HG LYS 67 2HG LYS 67 -12.498 -7.352 -2.329 1036 1HD LYS 67 1HD LYS 67 -13.489 -8.912 -0.734 1037 2HD LYS 67 2HD LYS 67 -13.093 -7.829 0.600 1038 1HE LYS 67 1HE LYS 67 -14.994 -7.235 -1.662 1039 2HE LYS 67 2HE LYS 67 -15.464 -7.681 -0.023 1040 1HZ LYS 67 1HZ LYS 67 -14.319 -5.676 0.777 1041 2HZ LYS 67 2HZ LYS 67 -15.596 -5.322 -0.278 1042 3HZ LYS 67 3HZ LYS 67 -13.995 -5.223 -0.825 Start of MODEL 13 1 1H MET 1 1H MET 1 -32.875 58.372 12.870 2 2H MET 1 2H MET 1 -31.548 59.414 12.763 3 3H MET 1 3H MET 1 -32.738 59.687 13.929 4 HA MET 1 HA MET 1 -30.769 58.724 14.927 5 1HB MET 1 1HB MET 1 -31.876 57.022 16.210 6 2HB MET 1 2HB MET 1 -33.074 58.257 15.815 7 1HG MET 1 1HG MET 1 -33.965 56.860 14.052 8 2HG MET 1 2HG MET 1 -32.729 55.653 14.356 9 1HE MET 1 1HE MET 1 -35.975 53.864 15.654 10 2HE MET 1 2HE MET 1 -34.578 53.785 14.552 11 3HE MET 1 3HE MET 1 -35.853 54.962 14.263 12 H MET 2 H MET 2 -30.943 57.911 11.914 13 HA MET 2 HA MET 2 -30.445 55.180 11.705 14 1HB MET 2 1HB MET 2 -31.110 56.604 9.812 15 2HB MET 2 2HB MET 2 -29.551 57.420 9.873 16 1HG MET 2 1HG MET 2 -28.437 55.277 9.327 17 2HG MET 2 2HG MET 2 -30.030 54.516 9.199 18 1HE MET 2 1HE MET 2 -28.603 57.934 6.437 19 2HE MET 2 2HE MET 2 -27.596 57.204 7.683 20 3HE MET 2 3HE MET 2 -29.018 58.130 8.141 21 H THR 3 H THR 3 -28.976 54.792 13.457 22 HA THR 3 HA THR 3 -26.156 55.279 12.702 23 HB THR 3 HB THR 3 -27.296 54.608 15.455 24 HG1 THR 3 HG1 THR 3 -27.409 56.691 15.727 25 1HG2 THR 3 1HG2 THR 3 -24.447 55.272 14.621 26 2HG2 THR 3 2HG2 THR 3 -25.050 53.687 15.120 27 3HG2 THR 3 3HG2 THR 3 -25.012 55.029 16.268 28 H ALA 4 H ALA 4 -25.903 53.579 11.329 29 HA ALA 4 HA ALA 4 -25.783 50.946 12.501 30 1HB ALA 4 1HB ALA 4 -28.106 50.997 11.845 31 2HB ALA 4 2HB ALA 4 -27.214 49.906 10.779 32 3HB ALA 4 3HB ALA 4 -27.648 51.521 10.223 33 H SER 5 H SER 5 -23.615 50.917 12.035 34 HA SER 5 HA SER 5 -22.963 50.711 9.167 35 1HB SER 5 1HB SER 5 -21.142 51.737 11.365 36 2HB SER 5 2HB SER 5 -20.715 51.595 9.658 37 HG SER 5 HG SER 5 -22.648 53.313 10.845 38 H ASP 6 H ASP 6 -23.129 48.565 9.001 39 HA ASP 6 HA ASP 6 -21.939 46.791 10.952 40 1HB ASP 6 1HB ASP 6 -22.896 44.987 9.658 41 2HB ASP 6 2HB ASP 6 -24.098 46.247 9.841 42 H ARG 7 H ARG 7 -20.225 45.398 10.617 43 HA ARG 7 HA ARG 7 -18.704 45.523 8.136 44 1HB ARG 7 1HB ARG 7 -16.597 46.198 9.258 45 2HB ARG 7 2HB ARG 7 -17.798 47.471 9.343 46 1HG ARG 7 1HG ARG 7 -17.262 45.517 11.589 47 2HG ARG 7 2HG ARG 7 -16.464 47.100 11.437 48 1HD ARG 7 1HD ARG 7 -18.613 48.233 11.591 49 2HD ARG 7 2HD ARG 7 -19.443 46.675 11.674 50 HE ARG 7 HE ARG 7 -17.526 46.814 13.721 51 1HH1 ARG 7 1HH1 ARG 7 -20.607 48.235 12.829 52 2HH1 ARG 7 2HH1 ARG 7 -21.073 48.530 14.472 53 1HH2 ARG 7 1HH2 ARG 7 -18.157 47.216 15.877 54 2HH2 ARG 7 2HH2 ARG 7 -19.685 47.960 16.201 55 H LEU 8 H LEU 8 -17.041 43.901 8.033 56 HA LEU 8 HA LEU 8 -17.341 41.721 10.001 57 1HB LEU 8 1HB LEU 8 -17.297 41.446 6.980 58 2HB LEU 8 2HB LEU 8 -17.291 40.118 8.119 59 HG LEU 8 HG LEU 8 -19.547 42.106 7.834 60 1HD1 LEU 8 1HD1 LEU 8 -20.774 40.333 6.727 61 2HD1 LEU 8 2HD1 LEU 8 -19.380 39.269 6.822 62 3HD1 LEU 8 3HD1 LEU 8 -19.308 40.723 5.828 63 1HD2 LEU 8 1HD2 LEU 8 -20.832 40.526 9.192 64 2HD2 LEU 8 2HD2 LEU 8 -19.425 41.142 10.065 65 3HD2 LEU 8 3HD2 LEU 8 -19.386 39.523 9.385 66 H GLY 9 H GLY 9 -15.427 41.196 10.840 67 1HA GLY 9 1HA GLY 9 -12.995 41.502 9.143 68 2HA GLY 9 2HA GLY 9 -13.030 42.016 10.835 69 H ALA 10 H ALA 10 -14.884 39.333 10.775 70 HA ALA 10 HA ALA 10 -12.659 37.663 11.719 71 1HB ALA 10 1HB ALA 10 -14.552 37.982 13.223 72 2HB ALA 10 2HB ALA 10 -14.385 36.291 12.772 73 3HB ALA 10 3HB ALA 10 -15.633 37.286 12.024 74 H ASP 11 H ASP 11 -12.097 37.476 9.323 75 HA ASP 11 HA ASP 11 -13.765 35.834 7.674 76 1HB ASP 11 1HB ASP 11 -11.914 35.939 6.056 77 2HB ASP 11 2HB ASP 11 -12.266 37.525 6.699 78 HA PRO 12 HA PRO 12 -12.422 31.976 9.265 79 1HB PRO 12 1HB PRO 12 -13.121 30.715 6.719 80 2HB PRO 12 2HB PRO 12 -13.891 30.563 8.298 81 1HG PRO 12 1HG PRO 12 -15.073 31.867 6.225 82 2HG PRO 12 2HG PRO 12 -15.323 32.332 7.927 83 1HD PRO 12 1HD PRO 12 -13.505 33.557 5.862 84 2HD PRO 12 2HD PRO 12 -14.558 34.354 7.045 85 H THR 13 H THR 13 -10.179 32.115 9.401 86 HA THR 13 HA THR 13 -8.611 31.413 7.068 87 HB THR 13 HB THR 13 -6.643 31.645 8.633 88 HG1 THR 13 HG1 THR 13 -8.085 31.329 10.552 89 1HG2 THR 13 1HG2 THR 13 -6.791 34.118 8.786 90 2HG2 THR 13 2HG2 THR 13 -8.513 34.007 8.386 91 3HG2 THR 13 3HG2 THR 13 -7.301 33.506 7.209 92 H GLN 14 H GLN 14 -9.564 29.324 6.819 93 HA GLN 14 HA GLN 14 -8.922 27.351 8.911 94 1HB GLN 14 1HB GLN 14 -11.018 27.251 6.716 95 2HB GLN 14 2HB GLN 14 -10.734 25.984 7.906 96 1HG GLN 14 1HG GLN 14 -11.684 28.803 8.468 97 2HG GLN 14 2HG GLN 14 -12.680 27.343 8.465 98 1HE2 GLN 14 2HE2 GLN 14 -10.313 29.187 10.212 99 2HE2 GLN 14 1HE2 GLN 14 -10.411 28.275 11.685 100 H ALA 15 H ALA 15 -7.229 28.438 6.647 101 HA ALA 15 HA ALA 15 -6.909 26.279 4.807 102 1HB ALA 15 1HB ALA 15 -6.282 28.554 4.156 103 2HB ALA 15 2HB ALA 15 -4.907 27.469 4.038 104 3HB ALA 15 3HB ALA 15 -5.033 28.571 5.395 105 H ALA 16 H ALA 16 -6.591 24.407 5.984 106 HA ALA 16 HA ALA 16 -4.441 24.262 7.953 107 1HB ALA 16 1HB ALA 16 -6.361 22.136 7.021 108 2HB ALA 16 2HB ALA 16 -6.608 23.179 8.413 109 3HB ALA 16 3HB ALA 16 -5.278 22.017 8.407 110 H SER 17 H SER 17 -2.461 24.216 7.016 111 HA SER 17 HA SER 17 -1.860 23.009 4.542 112 1HB SER 17 1HB SER 17 0.008 23.548 6.875 113 2HB SER 17 2HB SER 17 0.486 23.276 5.198 114 HG SER 17 HG SER 17 -1.199 25.175 4.968 115 H SER 18 H SER 18 -2.289 20.901 4.201 116 HA SER 18 HA SER 18 -1.985 18.906 6.247 117 1HB SER 18 1HB SER 18 -2.500 18.490 3.295 118 2HB SER 18 2HB SER 18 -2.855 17.368 4.615 119 HG SER 18 HG SER 18 -3.997 19.808 5.003 120 HA PRO 19 HA PRO 19 2.363 18.575 5.327 121 1HB PRO 19 1HB PRO 19 2.991 16.602 7.095 122 2HB PRO 19 2HB PRO 19 2.645 18.264 7.608 123 1HG PRO 19 1HG PRO 19 0.826 15.866 7.595 124 2HG PRO 19 2HG PRO 19 1.059 17.084 8.866 125 1HD PRO 19 1HD PRO 19 -1.037 17.161 7.153 126 2HD PRO 19 2HD PRO 19 -0.272 18.641 7.819 127 H GLY 20 H GLY 20 3.595 17.396 3.929 128 1HA GLY 20 1HA GLY 20 2.755 14.641 3.315 129 2HA GLY 20 2HA GLY 20 2.987 15.798 2.018 130 H GLY 21 H GLY 21 4.867 15.269 4.974 131 1HA GLY 21 1HA GLY 21 7.327 15.146 3.438 132 2HA GLY 21 2HA GLY 21 7.160 15.136 5.191 133 H ALA 22 H ALA 22 8.434 13.364 5.648 134 HA ALA 22 HA ALA 22 7.785 10.848 4.315 135 1HB ALA 22 1HB ALA 22 9.821 9.968 5.328 136 2HB ALA 22 2HB ALA 22 10.076 11.498 6.164 137 3HB ALA 22 3HB ALA 22 10.150 11.432 4.407 138 H ARG 23 H ARG 23 6.563 9.364 5.329 139 HA ARG 23 HA ARG 23 6.213 9.607 8.244 140 1HB ARG 23 1HB ARG 23 3.822 9.022 7.973 141 2HB ARG 23 2HB ARG 23 4.224 10.538 7.178 142 1HG ARG 23 1HG ARG 23 4.334 9.298 5.030 143 2HG ARG 23 2HG ARG 23 3.751 7.863 5.872 144 1HD ARG 23 1HD ARG 23 1.877 8.911 4.789 145 2HD ARG 23 2HD ARG 23 1.724 9.155 6.527 146 HE ARG 23 HE ARG 23 2.932 11.410 5.890 147 1HH1 ARG 23 1HH1 ARG 23 0.293 9.808 4.225 148 2HH1 ARG 23 2HH1 ARG 23 -0.342 11.299 3.597 149 1HH2 ARG 23 1HH2 ARG 23 2.088 13.370 5.046 150 2HH2 ARG 23 2HH2 ARG 23 0.668 13.316 4.057 151 H ALA 24 H ALA 24 6.124 7.735 9.377 152 HA ALA 24 HA ALA 24 6.980 5.330 7.917 153 1HB ALA 24 1HB ALA 24 8.436 6.109 9.729 154 2HB ALA 24 2HB ALA 24 7.769 4.523 10.094 155 3HB ALA 24 3HB ALA 24 7.112 5.965 10.878 156 H VAL 25 H VAL 25 5.507 3.794 7.543 157 HA VAL 25 HA VAL 25 3.197 3.532 9.356 158 HB VAL 25 HB VAL 25 1.931 2.599 7.439 159 1HG1 VAL 25 1HG1 VAL 25 1.777 4.986 8.021 160 2HG1 VAL 25 2HG1 VAL 25 1.559 4.706 6.301 161 3HG1 VAL 25 3HG1 VAL 25 3.089 5.340 6.900 162 1HG2 VAL 25 1HG2 VAL 25 3.771 1.765 6.117 163 2HG2 VAL 25 2HG2 VAL 25 4.370 3.395 5.830 164 3HG2 VAL 25 3HG2 VAL 25 2.815 2.884 5.150 165 H SER 26 H SER 26 2.747 1.590 10.210 166 HA SER 26 HA SER 26 4.810 -0.476 9.873 167 1HB SER 26 1HB SER 26 2.674 -0.205 11.998 168 2HB SER 26 2HB SER 26 4.034 -1.330 12.008 169 HG SER 26 HG SER 26 4.212 1.513 12.039 170 H ILE 27 H ILE 27 4.249 -2.664 9.776 171 HA ILE 27 HA ILE 27 1.642 -3.277 8.528 172 HB ILE 27 HB ILE 27 4.267 -4.647 7.890 173 1HG1 ILE 27 1HG1 ILE 27 4.286 -2.308 7.050 174 2HG1 ILE 27 2HG1 ILE 27 4.254 -3.471 5.736 175 1HG2 ILE 27 1HG2 ILE 27 2.998 -5.604 6.008 176 2HG2 ILE 27 2HG2 ILE 27 1.531 -4.849 6.634 177 3HG2 ILE 27 3HG2 ILE 27 2.369 -6.084 7.578 178 1HD1 ILE 27 1HD1 ILE 27 1.888 -1.908 6.764 179 2HD1 ILE 27 2HD1 ILE 27 1.849 -3.093 5.446 180 3HD1 ILE 27 3HD1 ILE 27 2.794 -1.604 5.289 181 H VAL 28 H VAL 28 0.514 -4.817 9.640 182 HA VAL 28 HA VAL 28 1.963 -6.263 11.758 183 HB VAL 28 HB VAL 28 -0.264 -6.605 12.834 184 1HG1 VAL 28 1HG1 VAL 28 1.131 -4.745 13.532 185 2HG1 VAL 28 2HG1 VAL 28 -0.556 -4.286 13.576 186 3HG1 VAL 28 3HG1 VAL 28 0.460 -3.723 12.256 187 1HG2 VAL 28 1HG2 VAL 28 -2.183 -5.302 12.110 188 2HG2 VAL 28 2HG2 VAL 28 -1.714 -6.489 10.895 189 3HG2 VAL 28 3HG2 VAL 28 -1.314 -4.785 10.664 190 H GLY 29 H GLY 29 2.701 -8.051 10.771 191 1HA GLY 29 1HA GLY 29 2.520 -10.272 10.105 192 2HA GLY 29 2HA GLY 29 0.765 -10.078 9.989 193 H ASN 30 H ASN 30 -0.002 -8.680 8.214 194 HA ASN 30 HA ASN 30 1.791 -7.881 6.130 195 1HB ASN 30 1HB ASN 30 1.034 -9.266 4.333 196 2HB ASN 30 2HB ASN 30 1.446 -10.358 5.651 197 1HD2 ASN 30 2HD2 ASN 30 -0.365 -10.662 3.345 198 2HD2 ASN 30 1HD2 ASN 30 -1.909 -11.090 4.012 199 H GLN 31 H GLN 31 -0.400 -6.945 7.980 200 HA GLN 31 HA GLN 31 -2.307 -5.959 5.944 201 1HB GLN 31 1HB GLN 31 -3.371 -7.569 7.484 202 2HB GLN 31 2HB GLN 31 -2.898 -6.573 8.859 203 1HG GLN 31 1HG GLN 31 -4.290 -4.753 8.034 204 2HG GLN 31 2HG GLN 31 -4.769 -5.745 6.648 205 1HE2 GLN 31 2HE2 GLN 31 -5.030 -5.263 10.069 206 2HE2 GLN 31 1HE2 GLN 31 -6.396 -6.283 10.336 207 H ILE 32 H ILE 32 -2.090 -3.844 5.635 208 HA ILE 32 HA ILE 32 -1.603 -2.067 7.934 209 HB ILE 32 HB ILE 32 0.016 -1.893 6.058 210 1HG1 ILE 32 1HG1 ILE 32 -1.724 0.559 6.430 211 2HG1 ILE 32 2HG1 ILE 32 -0.412 0.042 7.488 212 1HG2 ILE 32 1HG2 ILE 32 -1.454 -2.465 4.200 213 2HG2 ILE 32 2HG2 ILE 32 -0.713 -0.883 3.914 214 3HG2 ILE 32 3HG2 ILE 32 -2.382 -0.997 4.465 215 1HD1 ILE 32 1HD1 ILE 32 -0.114 0.934 4.628 216 2HD1 ILE 32 2HD1 ILE 32 1.185 0.383 5.689 217 3HD1 ILE 32 3HD1 ILE 32 0.297 1.863 6.074 218 H ASP 33 H ASP 33 -2.890 -0.091 8.025 219 HA ASP 33 HA ASP 33 -5.582 -0.454 6.923 220 1HB ASP 33 1HB ASP 33 -5.199 -0.009 9.417 221 2HB ASP 33 2HB ASP 33 -4.775 1.621 8.957 222 H SER 34 H SER 34 -6.548 1.079 5.644 223 HA SER 34 HA SER 34 -4.923 2.526 3.887 224 1HB SER 34 1HB SER 34 -7.088 3.526 3.076 225 2HB SER 34 2HB SER 34 -7.086 1.757 3.174 226 HG SER 34 HG SER 34 -7.992 2.306 5.443 227 H ARG 35 H ARG 35 -6.271 3.380 6.932 228 HA ARG 35 HA ARG 35 -6.368 6.204 6.613 229 1HB ARG 35 1HB ARG 35 -7.562 4.740 8.362 230 2HB ARG 35 2HB ARG 35 -6.046 4.752 9.254 231 1HG ARG 35 1HG ARG 35 -7.486 7.274 8.460 232 2HG ARG 35 2HG ARG 35 -7.804 6.419 9.956 233 1HD ARG 35 1HD ARG 35 -5.498 6.724 10.668 234 2HD ARG 35 2HD ARG 35 -5.103 7.525 9.135 235 HE ARG 35 HE ARG 35 -7.109 9.059 10.059 236 1HH1 ARG 35 1HH1 ARG 35 -4.216 7.849 11.659 237 2HH1 ARG 35 2HH1 ARG 35 -4.080 9.237 12.689 238 1HH2 ARG 35 1HH2 ARG 35 -6.901 10.874 11.444 239 2HH2 ARG 35 2HH2 ARG 35 -5.571 10.955 12.559 240 H GLU 36 H GLU 36 -3.917 3.927 7.762 241 HA GLU 36 HA GLU 36 -2.076 5.734 8.839 242 1HB GLU 36 1HB GLU 36 -1.399 3.197 7.303 243 2HB GLU 36 2HB GLU 36 -0.399 3.983 8.515 244 1HG GLU 36 1HG GLU 36 -2.973 2.486 8.898 245 2HG GLU 36 2HG GLU 36 -1.380 2.081 9.530 246 H LEU 37 H LEU 37 -2.468 4.603 5.529 247 HA LEU 37 HA LEU 37 -0.265 6.094 4.462 248 1HB LEU 37 1HB LEU 37 -2.616 4.768 3.096 249 2HB LEU 37 2HB LEU 37 -1.256 5.475 2.246 250 HG LEU 37 HG LEU 37 -1.112 3.144 4.165 251 1HD1 LEU 37 1HD1 LEU 37 -0.694 1.772 2.224 252 2HD1 LEU 37 2HD1 LEU 37 -0.822 3.175 1.156 253 3HD1 LEU 37 3HD1 LEU 37 -2.243 2.597 2.035 254 1HD2 LEU 37 1HD2 LEU 37 1.205 2.936 3.385 255 2HD2 LEU 37 2HD2 LEU 37 0.922 4.470 4.205 256 3HD2 LEU 37 3HD2 LEU 37 1.024 4.410 2.453 257 H PHE 38 H PHE 38 -3.810 6.498 4.331 258 HA PHE 38 HA PHE 38 -3.468 9.102 3.031 259 1HB PHE 38 1HB PHE 38 -5.967 7.454 3.476 260 2HB PHE 38 2HB PHE 38 -5.853 8.927 2.510 261 HD1 PHE 38 HD1 PHE 38 -4.436 8.885 0.420 262 HD2 PHE 38 HD2 PHE 38 -5.456 5.349 2.571 263 HE1 PHE 38 HE1 PHE 38 -3.910 7.515 -1.556 264 HE2 PHE 38 HE2 PHE 38 -4.928 3.991 0.589 265 HZ PHE 38 HZ PHE 38 -4.159 5.087 -1.490 266 H THR 39 H THR 39 -2.960 8.678 5.926 267 HA THR 39 HA THR 39 -5.019 9.757 7.500 268 HB THR 39 HB THR 39 -3.178 8.663 8.598 269 HG1 THR 39 HG1 THR 39 -3.342 10.003 10.223 270 1HG2 THR 39 1HG2 THR 39 -1.404 9.108 7.010 271 2HG2 THR 39 2HG2 THR 39 -0.884 9.585 8.634 272 3HG2 THR 39 3HG2 THR 39 -1.383 10.821 7.460 273 H VAL 40 H VAL 40 -2.258 11.319 5.920 274 HA VAL 40 HA VAL 40 -3.863 13.770 5.672 275 HB VAL 40 HB VAL 40 -1.696 15.095 6.014 276 1HG1 VAL 40 1HG1 VAL 40 -2.017 15.226 8.438 277 2HG1 VAL 40 2HG1 VAL 40 -2.927 13.715 8.382 278 3HG1 VAL 40 3HG1 VAL 40 -3.562 15.154 7.595 279 1HG2 VAL 40 1HG2 VAL 40 0.002 14.110 7.476 280 2HG2 VAL 40 2HG2 VAL 40 -0.146 13.194 5.981 281 3HG2 VAL 40 3HG2 VAL 40 -0.864 12.581 7.473 282 H ASP 41 H ASP 41 -4.235 12.952 3.546 283 HA ASP 41 HA ASP 41 -2.982 13.969 1.445 284 1HB ASP 41 1HB ASP 41 -0.999 12.414 2.312 285 2HB ASP 41 2HB ASP 41 -1.921 11.155 1.505 286 H ARG 42 H ARG 42 -3.583 12.491 -0.654 287 HA ARG 42 HA ARG 42 -5.835 10.760 0.089 288 1HB ARG 42 1HB ARG 42 -6.507 13.203 -0.601 289 2HB ARG 42 2HB ARG 42 -6.147 12.655 -2.227 290 1HG ARG 42 1HG ARG 42 -8.404 12.236 -2.110 291 2HG ARG 42 2HG ARG 42 -7.752 10.667 -1.601 292 1HD ARG 42 1HD ARG 42 -8.912 12.859 0.116 293 2HD ARG 42 2HD ARG 42 -9.541 11.231 -0.123 294 HE ARG 42 HE ARG 42 -6.900 11.340 1.056 295 1HH1 ARG 42 1HH1 ARG 42 -10.346 11.270 1.680 296 2HH1 ARG 42 2HH1 ARG 42 -10.158 10.751 3.328 297 1HH2 ARG 42 1HH2 ARG 42 -6.644 10.674 3.219 298 2HH2 ARG 42 2HH2 ARG 42 -8.054 10.399 4.183 299 H GLU 43 H GLU 43 -3.002 11.065 -1.537 300 HA GLU 43 HA GLU 43 -3.618 8.743 -3.191 301 1HB GLU 43 1HB GLU 43 -3.930 10.684 -4.682 302 2HB GLU 43 2HB GLU 43 -2.292 11.227 -4.322 303 1HG GLU 43 1HG GLU 43 -1.370 9.291 -5.422 304 2HG GLU 43 2HG GLU 43 -2.977 8.602 -5.634 305 H ILE 44 H ILE 44 -2.006 7.322 -3.291 306 HA ILE 44 HA ILE 44 0.641 8.072 -2.197 307 HB ILE 44 HB ILE 44 -0.892 5.468 -1.856 308 1HG1 ILE 44 1HG1 ILE 44 -1.613 7.247 -0.344 309 2HG1 ILE 44 2HG1 ILE 44 -0.788 5.975 0.547 310 1HG2 ILE 44 1HG2 ILE 44 1.021 4.675 -0.521 311 2HG2 ILE 44 2HG2 ILE 44 1.925 6.122 -0.990 312 3HG2 ILE 44 3HG2 ILE 44 1.448 4.933 -2.209 313 1HD1 ILE 44 1HD1 ILE 44 -0.186 8.201 1.353 314 2HD1 ILE 44 2HD1 ILE 44 0.393 8.629 -0.256 315 3HD1 ILE 44 3HD1 ILE 44 1.209 7.366 0.670 316 H VAL 45 H VAL 45 2.396 7.349 -3.325 317 HA VAL 45 HA VAL 45 1.863 6.123 -5.949 318 HB VAL 45 HB VAL 45 4.413 7.467 -4.998 319 1HG1 VAL 45 1HG1 VAL 45 4.985 7.577 -7.363 320 2HG1 VAL 45 2HG1 VAL 45 3.472 6.779 -7.786 321 3HG1 VAL 45 3HG1 VAL 45 4.700 5.907 -6.869 322 1HG2 VAL 45 1HG2 VAL 45 3.682 9.429 -6.277 323 2HG2 VAL 45 2HG2 VAL 45 2.587 9.085 -4.951 324 3HG2 VAL 45 3HG2 VAL 45 2.136 8.663 -6.603 325 H ILE 46 H ILE 46 2.991 4.281 -6.580 326 HA ILE 46 HA ILE 46 4.501 2.845 -4.510 327 HB ILE 46 HB ILE 46 2.295 1.594 -6.194 328 1HG1 ILE 46 1HG1 ILE 46 2.414 2.155 -3.210 329 2HG1 ILE 46 2HG1 ILE 46 1.381 2.971 -4.376 330 1HG2 ILE 46 1HG2 ILE 46 4.219 0.093 -5.771 331 2HG2 ILE 46 2HG2 ILE 46 2.774 -0.441 -4.913 332 3HG2 ILE 46 3HG2 ILE 46 4.055 0.388 -4.037 333 1HD1 ILE 46 1HD1 ILE 46 0.117 1.361 -3.141 334 2HD1 ILE 46 2HD1 ILE 46 1.251 0.072 -3.569 335 3HD1 ILE 46 3HD1 ILE 46 0.245 0.837 -4.817 336 H ALA 47 H ALA 47 6.488 2.744 -5.427 337 HA ALA 47 HA ALA 47 6.776 2.558 -8.300 338 1HB ALA 47 1HB ALA 47 8.306 3.955 -6.962 339 2HB ALA 47 2HB ALA 47 9.180 2.706 -7.853 340 3HB ALA 47 3HB ALA 47 8.882 2.517 -6.123 341 H HIS 48 H HIS 48 7.229 0.732 -9.451 342 HA HIS 48 HA HIS 48 8.220 -1.634 -8.016 343 1HB HIS 48 1HB HIS 48 5.836 -2.020 -8.080 344 2HB HIS 48 2HB HIS 48 5.761 -1.634 -9.784 345 HD1 HIS 48 HD1 HIS 48 7.177 -4.273 -7.471 346 HD2 HIS 48 HD2 HIS 48 6.185 -3.737 -11.469 347 HE1 HIS 48 HE1 HIS 48 7.456 -6.532 -8.542 348 HE2 HIS 48 HE2 HIS 48 7.069 -6.113 -11.012 349 H GLY 49 H GLY 49 10.245 -1.401 -9.063 350 1HA GLY 49 1HA GLY 49 11.660 -2.242 -10.665 351 2HA GLY 49 2HA GLY 49 10.265 -2.661 -11.645 352 H ASP 50 H ASP 50 10.103 -1.615 -13.455 353 HA ASP 50 HA ASP 50 11.601 0.852 -13.848 354 1HB ASP 50 1HB ASP 50 9.928 -0.675 -15.869 355 2HB ASP 50 2HB ASP 50 11.143 0.562 -16.211 356 H ASP 51 H ASP 51 8.355 -0.220 -13.314 357 HA ASP 51 HA ASP 51 7.223 2.229 -14.439 358 1HB ASP 51 1HB ASP 51 6.372 -0.057 -15.119 359 2HB ASP 51 2HB ASP 51 5.758 -0.248 -13.477 360 H ARG 52 H ARG 52 5.300 3.096 -13.234 361 HA ARG 52 HA ARG 52 5.658 2.994 -10.330 362 1HB ARG 52 1HB ARG 52 5.537 5.488 -12.068 363 2HB ARG 52 2HB ARG 52 5.125 5.522 -10.345 364 1HG ARG 52 1HG ARG 52 7.416 4.512 -9.897 365 2HG ARG 52 2HG ARG 52 7.784 4.885 -11.596 366 1HD ARG 52 1HD ARG 52 6.877 6.934 -9.556 367 2HD ARG 52 2HD ARG 52 8.559 6.597 -9.960 368 HE ARG 52 HE ARG 52 7.735 7.214 -12.354 369 1HH1 ARG 52 1HH1 ARG 52 6.630 8.725 -9.382 370 2HH1 ARG 52 2HH1 ARG 52 6.396 10.278 -10.116 371 1HH2 ARG 52 1HH2 ARG 52 7.454 9.257 -13.309 372 2HH2 ARG 52 2HH2 ARG 52 6.873 10.572 -12.344 373 H TYR 53 H TYR 53 3.811 2.837 -9.247 374 HA TYR 53 HA TYR 53 1.275 3.096 -10.729 375 1HB TYR 53 1HB TYR 53 1.956 1.263 -8.422 376 2HB TYR 53 2HB TYR 53 0.374 1.375 -9.202 377 HD1 TYR 53 HD1 TYR 53 3.956 0.500 -9.862 378 HD2 TYR 53 HD2 TYR 53 -0.098 0.056 -11.099 379 HE1 TYR 53 HE1 TYR 53 4.647 -1.221 -11.459 380 HE2 TYR 53 HE2 TYR 53 0.599 -1.692 -12.703 381 HH TYR 53 HH TYR 53 2.624 -2.397 -13.921 382 H ARG 54 H ARG 54 -0.613 3.454 -9.162 383 HA ARG 54 HA ARG 54 0.156 5.095 -6.857 384 1HB ARG 54 1HB ARG 54 -1.787 6.009 -8.980 385 2HB ARG 54 2HB ARG 54 -1.478 6.830 -7.461 386 1HG ARG 54 1HG ARG 54 0.891 7.147 -8.181 387 2HG ARG 54 2HG ARG 54 0.457 6.458 -9.749 388 1HD ARG 54 1HD ARG 54 -1.241 8.250 -10.022 389 2HD ARG 54 2HD ARG 54 -0.703 8.941 -8.487 390 HE ARG 54 HE ARG 54 1.300 8.594 -10.566 391 1HH1 ARG 54 1HH1 ARG 54 -0.825 10.758 -8.798 392 2HH1 ARG 54 2HH1 ARG 54 -0.041 12.199 -9.383 393 1HH2 ARG 54 1HH2 ARG 54 2.338 10.481 -11.310 394 2HH2 ARG 54 2HH2 ARG 54 1.768 12.035 -10.795 395 H LEU 55 H LEU 55 -0.947 4.595 -5.151 396 HA LEU 55 HA LEU 55 -3.530 3.202 -5.371 397 1HB LEU 55 1HB LEU 55 -1.765 2.113 -3.979 398 2HB LEU 55 2HB LEU 55 -1.726 3.527 -2.950 399 HG LEU 55 HG LEU 55 -4.105 3.090 -2.323 400 1HD1 LEU 55 1HD1 LEU 55 -4.835 1.899 -4.323 401 2HD1 LEU 55 2HD1 LEU 55 -5.116 0.923 -2.880 402 3HD1 LEU 55 3HD1 LEU 55 -3.755 0.569 -3.938 403 1HD2 LEU 55 1HD2 LEU 55 -2.285 2.246 -0.920 404 2HD2 LEU 55 2HD2 LEU 55 -2.256 0.741 -1.846 405 3HD2 LEU 55 3HD2 LEU 55 -3.688 1.167 -0.891 406 H ARG 56 H ARG 56 -5.294 4.447 -5.100 407 HA ARG 56 HA ARG 56 -4.959 7.018 -3.677 408 1HB ARG 56 1HB ARG 56 -4.979 7.357 -6.146 409 2HB ARG 56 2HB ARG 56 -6.543 6.546 -6.235 410 1HG ARG 56 1HG ARG 56 -7.597 8.318 -5.024 411 2HG ARG 56 2HG ARG 56 -6.042 9.085 -4.676 412 1HD ARG 56 1HD ARG 56 -5.710 9.432 -7.102 413 2HD ARG 56 2HD ARG 56 -7.318 8.769 -7.389 414 HE ARG 56 HE ARG 56 -8.217 10.643 -6.104 415 1HH1 ARG 56 1HH1 ARG 56 -4.944 10.922 -7.323 416 2HH1 ARG 56 2HH1 ARG 56 -4.953 12.665 -7.317 417 1HH2 ARG 56 1HH2 ARG 56 -8.220 12.961 -6.096 418 2HH2 ARG 56 2HH2 ARG 56 -6.786 13.799 -6.626 419 H LEU 57 H LEU 57 -6.697 7.794 -2.534 420 HA LEU 57 HA LEU 57 -8.806 5.798 -2.012 421 1HB LEU 57 1HB LEU 57 -7.324 6.245 -0.110 422 2HB LEU 57 2HB LEU 57 -7.700 7.944 -0.194 423 HG LEU 57 HG LEU 57 -10.082 7.422 0.346 424 1HD1 LEU 57 1HD1 LEU 57 -10.159 5.139 -0.437 425 2HD1 LEU 57 2HD1 LEU 57 -10.616 5.211 1.267 426 3HD1 LEU 57 3HD1 LEU 57 -9.007 4.629 0.797 427 1HD2 LEU 57 1HD2 LEU 57 -8.600 8.136 2.128 428 2HD2 LEU 57 2HD2 LEU 57 -7.993 6.507 2.350 429 3HD2 LEU 57 3HD2 LEU 57 -9.667 6.893 2.746 430 H THR 58 H THR 58 -10.900 6.430 -2.101 431 HA THR 58 HA THR 58 -11.586 8.921 -3.356 432 HB THR 58 HB THR 58 -13.891 8.125 -3.250 433 HG1 THR 58 HG1 THR 58 -12.746 6.162 -1.567 434 1HG2 THR 58 1HG2 THR 58 -13.685 6.123 -4.617 435 2HG2 THR 58 2HG2 THR 58 -12.018 5.902 -4.072 436 3HG2 THR 58 3HG2 THR 58 -12.460 7.303 -5.062 437 H SER 59 H SER 59 -13.567 10.127 -2.295 438 HA SER 59 HA SER 59 -12.724 10.958 0.347 439 1HB SER 59 1HB SER 59 -14.968 12.029 -1.363 440 2HB SER 59 2HB SER 59 -14.219 12.816 0.023 441 HG SER 59 HG SER 59 -12.744 13.543 -1.263 442 H GLN 60 H GLN 60 -14.508 8.396 -0.522 443 HA GLN 60 HA GLN 60 -16.020 8.311 1.899 444 1HB GLN 60 1HB GLN 60 -18.292 8.250 0.808 445 2HB GLN 60 2HB GLN 60 -17.502 9.814 0.835 446 1HG GLN 60 1HG GLN 60 -16.794 9.497 -1.485 447 2HG GLN 60 2HG GLN 60 -17.639 7.949 -1.527 448 1HE2 GLN 60 2HE2 GLN 60 -19.906 7.932 -1.531 449 2HE2 GLN 60 1HE2 GLN 60 -20.820 9.340 -1.908 450 H ASN 61 H ASN 61 -15.594 6.969 -1.327 451 HA ASN 61 HA ASN 61 -17.212 4.666 -0.725 452 1HB ASN 61 1HB ASN 61 -17.265 5.638 -2.975 453 2HB ASN 61 2HB ASN 61 -15.575 5.220 -3.201 454 1HD2 ASN 61 2HD2 ASN 61 -17.882 3.142 -1.552 455 2HD2 ASN 61 1HD2 ASN 61 -17.881 1.896 -2.751 456 H LYS 62 H LYS 62 -13.899 4.767 -2.081 457 HA LYS 62 HA LYS 62 -12.964 2.678 -0.343 458 1HB LYS 62 1HB LYS 62 -12.797 0.900 -2.018 459 2HB LYS 62 2HB LYS 62 -14.460 1.397 -1.835 460 1HG LYS 62 1HG LYS 62 -14.331 2.699 -3.889 461 2HG LYS 62 2HG LYS 62 -12.624 2.257 -4.058 462 1HD LYS 62 1HD LYS 62 -13.262 -0.094 -4.226 463 2HD LYS 62 2HD LYS 62 -14.966 0.333 -4.064 464 1HE LYS 62 1HE LYS 62 -13.137 1.262 -6.265 465 2HE LYS 62 2HE LYS 62 -14.275 -0.077 -6.404 466 1HZ LYS 62 1HZ LYS 62 -15.021 2.751 -5.816 467 2HZ LYS 62 2HZ LYS 62 -16.103 1.472 -6.019 468 3HZ LYS 62 3HZ LYS 62 -15.163 1.998 -7.314 469 H LEU 63 H LEU 63 -11.083 1.586 -2.111 470 HA LEU 63 HA LEU 63 -9.476 3.893 -2.971 471 1HB LEU 63 1HB LEU 63 -7.433 2.830 -2.126 472 2HB LEU 63 2HB LEU 63 -8.539 3.241 -0.828 473 HG LEU 63 HG LEU 63 -8.389 0.422 -1.926 474 1HD1 LEU 63 1HD1 LEU 63 -6.137 1.074 -1.207 475 2HD1 LEU 63 2HD1 LEU 63 -6.841 -0.093 -0.105 476 3HD1 LEU 63 3HD1 LEU 63 -6.774 1.614 0.349 477 1HD2 LEU 63 1HD2 LEU 63 -9.290 1.569 0.728 478 2HD2 LEU 63 2HD2 LEU 63 -9.306 -0.139 0.270 479 3HD2 LEU 63 3HD2 LEU 63 -10.341 1.007 -0.561 480 H ILE 64 H ILE 64 -7.824 3.270 -4.571 481 HA ILE 64 HA ILE 64 -8.406 0.853 -6.058 482 HB ILE 64 HB ILE 64 -8.806 2.228 -8.193 483 1HG1 ILE 64 1HG1 ILE 64 -10.068 4.405 -7.665 484 2HG1 ILE 64 2HG1 ILE 64 -9.286 4.350 -6.094 485 1HG2 ILE 64 1HG2 ILE 64 -11.226 2.395 -7.785 486 2HG2 ILE 64 2HG2 ILE 64 -10.940 2.158 -6.064 487 3HG2 ILE 64 3HG2 ILE 64 -10.550 0.877 -7.203 488 1HD1 ILE 64 1HD1 ILE 64 -8.113 5.830 -7.586 489 2HD1 ILE 64 2HD1 ILE 64 -7.929 4.535 -8.780 490 3HD1 ILE 64 3HD1 ILE 64 -7.095 4.439 -7.220 491 H LEU 65 H LEU 65 -7.124 0.848 -8.154 492 HA LEU 65 HA LEU 65 -4.421 1.903 -7.640 493 1HB LEU 65 1HB LEU 65 -4.740 -0.605 -7.820 494 2HB LEU 65 2HB LEU 65 -5.268 -0.364 -9.479 495 HG LEU 65 HG LEU 65 -2.894 -1.179 -9.145 496 1HD1 LEU 65 1HD1 LEU 65 -3.101 1.408 -10.669 497 2HD1 LEU 65 2HD1 LEU 65 -3.676 -0.158 -11.247 498 3HD1 LEU 65 3HD1 LEU 65 -1.963 0.085 -10.940 499 1HD2 LEU 65 1HD2 LEU 65 -2.295 0.195 -7.236 500 2HD2 LEU 65 2HD2 LEU 65 -2.404 1.646 -8.222 501 3HD2 LEU 65 3HD2 LEU 65 -1.157 0.432 -8.561 502 H THR 66 H THR 66 -3.348 2.944 -9.390 503 HA THR 66 HA THR 66 -4.686 3.538 -11.832 504 HB THR 66 HB THR 66 -6.018 5.021 -10.386 505 HG1 THR 66 HG1 THR 66 -5.828 6.769 -11.660 506 1HG2 THR 66 1HG2 THR 66 -5.014 6.855 -9.141 507 2HG2 THR 66 2HG2 THR 66 -3.408 6.350 -9.651 508 3HG2 THR 66 3HG2 THR 66 -4.345 5.315 -8.577 509 H LYS 67 H LYS 67 -3.318 4.741 -13.287 510 HA LYS 67 HA LYS 67 -1.014 6.088 -12.511 511 1HB LYS 67 1HB LYS 67 0.790 4.647 -13.209 512 2HB LYS 67 2HB LYS 67 -0.141 3.857 -11.954 513 1HG LYS 67 1HG LYS 67 -0.439 3.251 -14.894 514 2HG LYS 67 2HG LYS 67 0.652 2.383 -13.817 515 1HD LYS 67 1HD LYS 67 -1.263 1.670 -12.451 516 2HD LYS 67 2HD LYS 67 -2.356 2.535 -13.543 517 1HE LYS 67 1HE LYS 67 -0.537 0.218 -14.269 518 2HE LYS 67 2HE LYS 67 -2.292 0.151 -14.072 519 1HZ LYS 67 1HZ LYS 67 -1.512 0.315 -16.416 520 2HZ LYS 67 2HZ LYS 67 -0.938 1.887 -16.089 521 3HZ LYS 67 3HZ LYS 67 -2.600 1.532 -15.952 522 1H MET 1 1H MET 1 41.436 -57.256 15.937 523 2H MET 1 2H MET 1 41.242 -55.756 16.697 524 3H MET 1 3H MET 1 42.671 -56.624 16.914 525 HA MET 1 HA MET 1 42.945 -54.771 15.392 526 1HB MET 1 1HB MET 1 43.158 -57.489 14.065 527 2HB MET 1 2HB MET 1 44.003 -56.031 13.541 528 1HG MET 1 1HG MET 1 45.546 -57.364 14.741 529 2HG MET 1 2HG MET 1 45.136 -55.994 15.781 530 1HE MET 1 1HE MET 1 43.659 -60.341 16.358 531 2HE MET 1 2HE MET 1 44.875 -59.854 15.181 532 3HE MET 1 3HE MET 1 43.194 -59.367 14.965 533 H MET 2 H MET 2 40.985 -53.675 15.033 534 HA MET 2 HA MET 2 40.188 -53.632 12.335 535 1HB MET 2 1HB MET 2 37.868 -54.319 12.469 536 2HB MET 2 2HB MET 2 38.909 -55.654 12.937 537 1HG MET 2 1HG MET 2 38.391 -55.297 15.259 538 2HG MET 2 2HG MET 2 37.474 -53.858 14.895 539 1HE MET 2 1HE MET 2 34.364 -55.288 12.990 540 2HE MET 2 2HE MET 2 35.871 -54.677 12.269 541 3HE MET 2 3HE MET 2 35.146 -53.850 13.636 542 H THR 3 H THR 3 38.085 -52.197 12.153 543 HA THR 3 HA THR 3 37.807 -50.375 14.418 544 HB THR 3 HB THR 3 39.526 -49.311 13.060 545 HG1 THR 3 HG1 THR 3 38.455 -47.309 12.809 546 1HG2 THR 3 1HG2 THR 3 38.982 -50.307 10.880 547 2HG2 THR 3 2HG2 THR 3 39.072 -48.563 10.765 548 3HG2 THR 3 3HG2 THR 3 37.502 -49.346 10.791 549 H ALA 4 H ALA 4 35.750 -50.043 14.815 550 HA ALA 4 HA ALA 4 33.782 -50.537 12.653 551 1HB ALA 4 1HB ALA 4 33.400 -50.767 15.652 552 2HB ALA 4 2HB ALA 4 33.662 -52.112 14.538 553 3HB ALA 4 3HB ALA 4 32.199 -51.134 14.404 554 H SER 5 H SER 5 32.277 -49.024 12.184 555 HA SER 5 HA SER 5 31.638 -46.846 13.949 556 1HB SER 5 1HB SER 5 33.807 -46.091 12.903 557 2HB SER 5 2HB SER 5 32.999 -46.119 11.341 558 HG SER 5 HG SER 5 32.849 -44.272 13.353 559 H ASP 6 H ASP 6 29.538 -46.623 13.692 560 HA ASP 6 HA ASP 6 28.331 -46.500 11.058 561 1HB ASP 6 1HB ASP 6 28.198 -48.893 11.545 562 2HB ASP 6 2HB ASP 6 27.460 -48.561 13.112 563 H ARG 7 H ARG 7 27.879 -44.365 11.551 564 HA ARG 7 HA ARG 7 25.604 -43.958 13.327 565 1HB ARG 7 1HB ARG 7 28.157 -42.307 13.445 566 2HB ARG 7 2HB ARG 7 26.640 -41.827 14.192 567 1HG ARG 7 1HG ARG 7 26.717 -43.838 15.619 568 2HG ARG 7 2HG ARG 7 28.245 -44.303 14.870 569 1HD ARG 7 1HD ARG 7 28.632 -43.207 17.022 570 2HD ARG 7 2HD ARG 7 29.266 -42.239 15.693 571 HE ARG 7 HE ARG 7 26.624 -41.444 16.359 572 1HH1 ARG 7 1HH1 ARG 7 29.941 -41.198 17.473 573 2HH1 ARG 7 2HH1 ARG 7 29.685 -39.684 18.279 574 1HH2 ARG 7 1HH2 ARG 7 26.278 -39.477 17.474 575 2HH2 ARG 7 2HH2 ARG 7 27.604 -38.715 18.280 576 H LEU 8 H LEU 8 24.231 -42.342 12.644 577 HA LEU 8 HA LEU 8 24.978 -40.526 10.564 578 1HB LEU 8 1HB LEU 8 23.243 -41.226 8.933 579 2HB LEU 8 2HB LEU 8 24.523 -42.401 9.121 580 HG LEU 8 HG LEU 8 21.807 -42.655 10.432 581 1HD1 LEU 8 1HD1 LEU 8 21.320 -44.309 8.716 582 2HD1 LEU 8 2HD1 LEU 8 22.845 -43.928 7.905 583 3HD1 LEU 8 3HD1 LEU 8 21.562 -42.712 8.016 584 1HD2 LEU 8 1HD2 LEU 8 22.435 -44.978 10.778 585 2HD2 LEU 8 2HD2 LEU 8 23.587 -43.894 11.570 586 3HD2 LEU 8 3HD2 LEU 8 24.012 -44.684 10.038 587 H GLY 9 H GLY 9 24.459 -39.119 12.231 588 1HA GLY 9 1HA GLY 9 21.559 -38.601 12.429 589 2HA GLY 9 2HA GLY 9 22.660 -38.324 13.771 590 H ALA 10 H ALA 10 24.083 -37.595 10.827 591 HA ALA 10 HA ALA 10 24.026 -34.759 11.453 592 1HB ALA 10 1HB ALA 10 25.800 -34.533 9.821 593 2HB ALA 10 2HB ALA 10 25.592 -36.216 9.320 594 3HB ALA 10 3HB ALA 10 26.163 -35.844 10.947 595 H ASP 11 H ASP 11 22.270 -33.730 10.749 596 HA ASP 11 HA ASP 11 21.936 -33.416 7.908 597 1HB ASP 11 1HB ASP 11 19.648 -34.114 7.668 598 2HB ASP 11 2HB ASP 11 20.484 -35.444 8.498 599 HA PRO 12 HA PRO 12 20.982 -29.389 9.397 600 1HB PRO 12 1HB PRO 12 19.768 -28.258 7.284 601 2HB PRO 12 2HB PRO 12 21.470 -28.738 7.213 602 1HG PRO 12 1HG PRO 12 19.030 -30.180 6.217 603 2HG PRO 12 2HG PRO 12 20.575 -29.922 5.386 604 1HD PRO 12 1HD PRO 12 19.962 -32.258 6.658 605 2HD PRO 12 2HD PRO 12 21.628 -31.646 6.539 606 H THR 13 H THR 13 18.348 -31.405 8.326 607 HA THR 13 HA THR 13 16.141 -31.475 8.780 608 HB THR 13 HB THR 13 16.726 -29.577 11.064 609 HG1 THR 13 HG1 THR 13 17.344 -32.222 10.656 610 1HG2 THR 13 1HG2 THR 13 14.326 -29.823 10.558 611 2HG2 THR 13 2HG2 THR 13 14.735 -30.598 12.088 612 3HG2 THR 13 3HG2 THR 13 14.501 -31.565 10.641 613 H GLN 14 H GLN 14 15.109 -30.549 7.103 614 HA GLN 14 HA GLN 14 15.385 -27.798 6.442 615 1HB GLN 14 1HB GLN 14 13.511 -29.906 5.334 616 2HB GLN 14 2HB GLN 14 13.679 -28.288 4.675 617 1HG GLN 14 1HG GLN 14 14.960 -29.772 3.324 618 2HG GLN 14 2HG GLN 14 16.089 -28.772 4.245 619 1HE2 GLN 14 2HE2 GLN 14 14.773 -31.960 3.809 620 2HE2 GLN 14 1HE2 GLN 14 15.959 -32.805 4.738 621 H ALA 15 H ALA 15 14.708 -26.777 8.369 622 HA ALA 15 HA ALA 15 11.955 -27.008 9.223 623 1HB ALA 15 1HB ALA 15 12.520 -25.270 10.838 624 2HB ALA 15 2HB ALA 15 14.066 -25.003 10.037 625 3HB ALA 15 3HB ALA 15 13.741 -26.541 10.843 626 H ALA 16 H ALA 16 13.902 -24.870 7.260 627 HA ALA 16 HA ALA 16 13.424 -23.095 5.910 628 1HB ALA 16 1HB ALA 16 11.283 -23.170 4.710 629 2HB ALA 16 2HB ALA 16 10.688 -24.380 5.852 630 3HB ALA 16 3HB ALA 16 12.030 -24.780 4.797 631 H SER 17 H SER 17 13.109 -22.804 8.793 632 HA SER 17 HA SER 17 10.826 -21.324 9.501 633 1HB SER 17 1HB SER 17 12.393 -20.521 11.412 634 2HB SER 17 2HB SER 17 12.097 -22.261 11.276 635 HG SER 17 HG SER 17 14.366 -21.579 11.546 636 H SER 18 H SER 18 10.534 -19.846 7.797 637 HA SER 18 HA SER 18 12.513 -17.715 7.453 638 1HB SER 18 1HB SER 18 9.929 -18.201 5.944 639 2HB SER 18 2HB SER 18 11.222 -17.082 5.501 640 HG SER 18 HG SER 18 11.493 -19.922 5.710 641 HA PRO 19 HA PRO 19 9.868 -15.447 10.274 642 1HB PRO 19 1HB PRO 19 11.682 -13.739 11.184 643 2HB PRO 19 2HB PRO 19 11.767 -15.453 11.580 644 1HG PRO 19 1HG PRO 19 13.361 -13.894 9.591 645 2HG PRO 19 2HG PRO 19 13.879 -15.205 10.660 646 1HD PRO 19 1HD PRO 19 13.188 -15.467 7.951 647 2HD PRO 19 2HD PRO 19 13.333 -16.794 9.127 648 H GLY 20 H GLY 20 9.181 -13.221 10.553 649 1HA GLY 20 1HA GLY 20 9.892 -11.085 8.855 650 2HA GLY 20 2HA GLY 20 8.494 -11.925 8.213 651 H GLY 21 H GLY 21 6.767 -12.430 9.905 652 1HA GLY 21 1HA GLY 21 5.138 -11.630 11.315 653 2HA GLY 21 2HA GLY 21 6.476 -11.003 12.283 654 H ALA 22 H ALA 22 6.198 -8.921 12.728 655 HA ALA 22 HA ALA 22 4.606 -7.239 10.932 656 1HB ALA 22 1HB ALA 22 4.514 -5.683 12.800 657 2HB ALA 22 2HB ALA 22 5.640 -6.677 13.719 658 3HB ALA 22 3HB ALA 22 4.037 -7.290 13.351 659 H ARG 23 H ARG 23 5.503 -5.626 9.773 660 HA ARG 23 HA ARG 23 8.375 -5.105 10.123 661 1HB ARG 23 1HB ARG 23 8.727 -5.244 7.717 662 2HB ARG 23 2HB ARG 23 8.058 -6.752 8.307 663 1HG ARG 23 1HG ARG 23 5.769 -5.537 7.596 664 2HG ARG 23 2HG ARG 23 6.884 -4.753 6.466 665 1HD ARG 23 1HD ARG 23 6.035 -6.659 5.345 666 2HD ARG 23 2HD ARG 23 7.673 -7.094 5.867 667 HE ARG 23 HE ARG 23 5.837 -7.886 7.867 668 1HH1 ARG 23 1HH1 ARG 23 6.888 -8.813 4.636 669 2HH1 ARG 23 2HH1 ARG 23 6.345 -10.446 4.816 670 1HH2 ARG 23 1HH2 ARG 23 5.075 -10.030 8.039 671 2HH2 ARG 23 2HH2 ARG 23 5.311 -11.131 6.733 672 H ALA 24 H ALA 24 9.048 -3.031 9.679 673 HA ALA 24 HA ALA 24 6.904 -1.045 9.514 674 1HB ALA 24 1HB ALA 24 9.788 -0.697 10.316 675 2HB ALA 24 2HB ALA 24 8.448 -0.944 11.435 676 3HB ALA 24 3HB ALA 24 8.515 0.514 10.446 677 H VAL 25 H VAL 25 6.548 -0.051 7.625 678 HA VAL 25 HA VAL 25 8.786 0.159 5.700 679 HB VAL 25 HB VAL 25 7.062 0.210 3.900 680 1HG1 VAL 25 1HG1 VAL 25 6.552 -2.197 3.941 681 2HG1 VAL 25 2HG1 VAL 25 6.959 -2.255 5.662 682 3HG1 VAL 25 3HG1 VAL 25 8.220 -1.887 4.481 683 1HG2 VAL 25 1HG2 VAL 25 5.131 1.000 5.185 684 2HG2 VAL 25 2HG2 VAL 25 5.152 -0.470 6.160 685 3HG2 VAL 25 3HG2 VAL 25 4.763 -0.566 4.440 686 H SER 26 H SER 26 9.266 2.119 4.915 687 HA SER 26 HA SER 26 7.944 4.397 6.155 688 1HB SER 26 1HB SER 26 10.540 4.318 4.615 689 2HB SER 26 2HB SER 26 9.932 5.656 5.587 690 HG SER 26 HG SER 26 9.895 3.542 7.158 691 H ILE 27 H ILE 27 7.453 6.292 4.988 692 HA ILE 27 HA ILE 27 6.822 5.908 2.126 693 HB ILE 27 HB ILE 27 5.217 7.598 4.079 694 1HG1 ILE 27 1HG1 ILE 27 4.962 5.217 4.683 695 2HG1 ILE 27 2HG1 ILE 27 3.473 5.868 3.986 696 1HG2 ILE 27 1HG2 ILE 27 3.566 7.659 2.269 697 2HG2 ILE 27 2HG2 ILE 27 4.657 6.754 1.230 698 3HG2 ILE 27 3HG2 ILE 27 5.105 8.374 1.788 699 1HD1 ILE 27 1HD1 ILE 27 5.489 4.144 2.549 700 2HD1 ILE 27 2HD1 ILE 27 4.000 4.798 1.833 701 3HD1 ILE 27 3HD1 ILE 27 3.917 3.647 3.165 702 H VAL 28 H VAL 28 7.748 7.396 0.824 703 HA VAL 28 HA VAL 28 9.040 9.681 2.167 704 HB VAL 28 HB VAL 28 10.503 9.836 0.149 705 1HG1 VAL 28 1HG1 VAL 28 10.596 7.210 1.645 706 2HG1 VAL 28 2HG1 VAL 28 11.323 8.731 2.156 707 3HG1 VAL 28 3HG1 VAL 28 11.937 7.902 0.724 708 1HG2 VAL 28 1HG2 VAL 28 9.274 7.175 -0.586 709 2HG2 VAL 28 2HG2 VAL 28 10.669 7.912 -1.369 710 3HG2 VAL 28 3HG2 VAL 28 9.093 8.684 -1.493 711 H GLY 29 H GLY 29 7.522 11.222 2.161 712 1HA GLY 29 1HA GLY 29 6.435 13.064 1.227 713 2HA GLY 29 2HA GLY 29 6.798 12.449 -0.386 714 H ASN 30 H ASN 30 5.658 10.433 -1.002 715 HA ASN 30 HA ASN 30 3.437 9.504 0.530 716 1HB ASN 30 1HB ASN 30 1.615 10.039 -0.993 717 2HB ASN 30 2HB ASN 30 2.417 11.524 -0.512 718 1HD2 ASN 30 2HD2 ASN 30 0.773 10.866 -2.864 719 2HD2 ASN 30 1HD2 ASN 30 1.736 11.284 -4.232 720 H GLN 31 H GLN 31 5.945 8.680 -0.941 721 HA GLN 31 HA GLN 31 4.746 6.724 -2.796 722 1HB GLN 31 1HB GLN 31 6.048 8.353 -4.067 723 2HB GLN 31 2HB GLN 31 7.427 8.143 -3.012 724 1HG GLN 31 1HG GLN 31 7.689 5.858 -3.777 725 2HG GLN 31 2HG GLN 31 6.264 6.010 -4.790 726 1HE2 GLN 31 2HE2 GLN 31 9.036 5.370 -5.481 727 2HE2 GLN 31 1HE2 GLN 31 9.520 6.553 -6.636 728 H ILE 32 H ILE 32 4.882 4.733 -2.058 729 HA ILE 32 HA ILE 32 7.339 3.879 -0.661 730 HB ILE 32 HB ILE 32 5.232 3.540 0.570 731 1HG1 ILE 32 1HG1 ILE 32 6.510 0.952 -0.333 732 2HG1 ILE 32 2HG1 ILE 32 7.141 1.999 0.935 733 1HG2 ILE 32 1HG2 ILE 32 3.733 3.249 -1.349 734 2HG2 ILE 32 2HG2 ILE 32 3.552 1.927 -0.194 735 3HG2 ILE 32 3HG2 ILE 32 4.464 1.673 -1.690 736 1HD1 ILE 32 1HD1 ILE 32 5.981 0.114 1.913 737 2HD1 ILE 32 2HD1 ILE 32 4.531 0.469 0.969 738 3HD1 ILE 32 3HD1 ILE 32 5.060 1.579 2.228 739 H ASP 33 H ASP 33 8.224 1.780 -1.310 740 HA ASP 33 HA ASP 33 7.753 1.157 -4.133 741 1HB ASP 33 1HB ASP 33 10.115 1.597 -3.218 742 2HB ASP 33 2HB ASP 33 9.960 0.030 -2.401 743 H SER 34 H SER 34 7.200 -0.875 -4.828 744 HA SER 34 HA SER 34 5.450 -2.351 -3.212 745 1HB SER 34 1HB SER 34 5.471 -3.978 -5.117 746 2HB SER 34 2HB SER 34 5.191 -2.306 -5.620 747 HG SER 34 HG SER 34 7.666 -2.366 -5.840 748 H ARG 35 H ARG 35 8.844 -2.530 -3.681 749 HA ARG 35 HA ARG 35 9.231 -5.277 -3.017 750 1HB ARG 35 1HB ARG 35 11.149 -2.940 -2.930 751 2HB ARG 35 2HB ARG 35 11.615 -4.622 -2.687 752 1HG ARG 35 1HG ARG 35 10.444 -3.435 -5.215 753 2HG ARG 35 2HG ARG 35 12.112 -3.949 -4.956 754 1HD ARG 35 1HD ARG 35 11.315 -6.257 -4.619 755 2HD ARG 35 2HD ARG 35 9.672 -5.708 -4.932 756 HE ARG 35 HE ARG 35 11.230 -4.949 -7.099 757 1HH1 ARG 35 1HH1 ARG 35 10.134 -7.905 -5.583 758 2HH1 ARG 35 2HH1 ARG 35 10.197 -8.822 -7.054 759 1HH2 ARG 35 1HH2 ARG 35 11.310 -6.141 -9.024 760 2HH2 ARG 35 2HH2 ARG 35 10.864 -7.814 -9.016 761 H GLU 36 H GLU 36 9.171 -2.275 -1.146 762 HA GLU 36 HA GLU 36 10.144 -3.207 1.283 763 1HB GLU 36 1HB GLU 36 7.979 -1.139 0.835 764 2HB GLU 36 2HB GLU 36 8.945 -1.321 2.299 765 1HG GLU 36 1HG GLU 36 9.898 -0.482 -0.438 766 2HG GLU 36 2HG GLU 36 9.815 0.513 1.021 767 H LEU 37 H LEU 37 6.854 -3.213 -0.004 768 HA LEU 37 HA LEU 37 5.661 -4.437 2.293 769 1HB LEU 37 1HB LEU 37 4.641 -4.190 -0.547 770 2HB LEU 37 2HB LEU 37 3.692 -4.729 0.831 771 HG LEU 37 HG LEU 37 4.880 -1.969 0.495 772 1HD1 LEU 37 1HD1 LEU 37 2.567 -1.251 0.222 773 2HD1 LEU 37 2HD1 LEU 37 2.018 -2.922 0.309 774 3HD1 LEU 37 3HD1 LEU 37 3.032 -2.390 -1.037 775 1HD2 LEU 37 1HD2 LEU 37 4.812 -2.591 2.838 776 2HD2 LEU 37 2HD2 LEU 37 3.124 -3.095 2.683 777 3HD2 LEU 37 3HD2 LEU 37 3.558 -1.396 2.490 778 H PHE 38 H PHE 38 6.543 -5.640 -0.943 779 HA PHE 38 HA PHE 38 5.832 -8.361 -0.086 780 1HB PHE 38 1HB PHE 38 6.484 -7.249 -2.845 781 2HB PHE 38 2HB PHE 38 5.903 -8.885 -2.527 782 HD1 PHE 38 HD1 PHE 38 3.580 -9.117 -1.481 783 HD2 PHE 38 HD2 PHE 38 4.985 -5.494 -3.230 784 HE1 PHE 38 HE1 PHE 38 1.257 -8.333 -1.723 785 HE2 PHE 38 HE2 PHE 38 2.672 -4.702 -3.469 786 HZ PHE 38 HZ PHE 38 0.796 -6.129 -2.722 787 H THR 39 H THR 39 8.286 -7.042 0.804 788 HA THR 39 HA THR 39 10.541 -8.029 -0.579 789 HB THR 39 HB THR 39 10.787 -6.261 1.059 790 HG1 THR 39 HG1 THR 39 12.545 -7.172 2.323 791 1HG2 THR 39 1HG2 THR 39 9.976 -8.268 3.168 792 2HG2 THR 39 2HG2 THR 39 9.028 -6.879 2.627 793 3HG2 THR 39 3HG2 THR 39 10.554 -6.633 3.480 794 H VAL 40 H VAL 40 8.736 -9.313 2.204 795 HA VAL 40 HA VAL 40 9.490 -12.003 1.344 796 HB VAL 40 HB VAL 40 9.446 -11.204 4.266 797 1HG1 VAL 40 1HG1 VAL 40 10.403 -13.449 4.629 798 2HG1 VAL 40 2HG1 VAL 40 10.264 -13.773 2.899 799 3HG1 VAL 40 3HG1 VAL 40 8.811 -13.507 3.866 800 1HG2 VAL 40 1HG2 VAL 40 11.853 -11.771 2.520 801 2HG2 VAL 40 2HG2 VAL 40 11.882 -11.497 4.261 802 3HG2 VAL 40 3HG2 VAL 40 11.399 -10.195 3.160 803 H ASP 41 H ASP 41 7.404 -11.992 0.393 804 HA ASP 41 HA ASP 41 5.358 -13.258 1.458 805 1HB ASP 41 1HB ASP 41 5.285 -11.073 3.033 806 2HB ASP 41 2HB ASP 41 4.399 -10.419 1.677 807 H ARG 42 H ARG 42 3.184 -12.615 0.102 808 HA ARG 42 HA ARG 42 4.012 -11.274 -2.395 809 1HB ARG 42 1HB ARG 42 4.016 -13.980 -2.326 810 2HB ARG 42 2HB ARG 42 2.350 -13.701 -2.770 811 1HG ARG 42 1HG ARG 42 3.654 -14.007 -4.756 812 2HG ARG 42 2HG ARG 42 3.092 -12.328 -4.678 813 1HD ARG 42 1HD ARG 42 5.323 -11.773 -3.605 814 2HD ARG 42 2HD ARG 42 5.858 -13.381 -4.073 815 HE ARG 42 HE ARG 42 4.823 -11.785 -6.234 816 1HH1 ARG 42 1HH1 ARG 42 7.663 -12.803 -4.439 817 2HH1 ARG 42 2HH1 ARG 42 8.775 -12.254 -5.647 818 1HH2 ARG 42 1HH2 ARG 42 6.286 -11.082 -7.818 819 2HH2 ARG 42 2HH2 ARG 42 7.971 -11.280 -7.594 820 H GLU 43 H GLU 43 1.876 -11.412 0.074 821 HA GLU 43 HA GLU 43 -0.090 -9.885 -1.478 822 1HB GLU 43 1HB GLU 43 -0.941 -12.186 -1.494 823 2HB GLU 43 2HB GLU 43 -0.810 -12.272 0.259 824 1HG GLU 43 1HG GLU 43 -2.506 -10.549 0.486 825 2HG GLU 43 2HG GLU 43 -2.635 -10.413 -1.266 826 H ILE 44 H ILE 44 -0.903 -8.209 -0.372 827 HA ILE 44 HA ILE 44 -0.333 -7.984 2.511 828 HB ILE 44 HB ILE 44 -0.301 -5.793 0.410 829 1HG1 ILE 44 1HG1 ILE 44 1.729 -7.162 0.427 830 2HG1 ILE 44 2HG1 ILE 44 2.059 -5.535 0.998 831 1HG2 ILE 44 1HG2 ILE 44 -1.282 -4.955 2.471 832 2HG2 ILE 44 2HG2 ILE 44 0.323 -4.279 2.263 833 3HG2 ILE 44 3HG2 ILE 44 0.058 -5.602 3.401 834 1HD1 ILE 44 1HD1 ILE 44 1.674 -7.963 2.748 835 2HD1 ILE 44 2HD1 ILE 44 2.043 -6.335 3.300 836 3HD1 ILE 44 3HD1 ILE 44 3.224 -7.226 2.338 837 H VAL 45 H VAL 45 -2.030 -7.253 3.776 838 HA VAL 45 HA VAL 45 -4.628 -6.993 2.428 839 HB VAL 45 HB VAL 45 -4.070 -7.457 5.376 840 1HG1 VAL 45 1HG1 VAL 45 -6.449 -8.044 5.520 841 2HG1 VAL 45 2HG1 VAL 45 -6.657 -7.587 3.827 842 3HG1 VAL 45 3HG1 VAL 45 -6.212 -6.382 5.025 843 1HG2 VAL 45 1HG2 VAL 45 -4.890 -9.427 3.240 844 2HG2 VAL 45 2HG2 VAL 45 -4.797 -9.775 4.978 845 3HG2 VAL 45 3HG2 VAL 45 -3.333 -9.367 4.088 846 H ILE 46 H ILE 46 -5.946 -5.247 2.853 847 HA ILE 46 HA ILE 46 -4.725 -2.956 4.237 848 HB ILE 46 HB ILE 46 -6.024 -2.814 1.489 849 1HG1 ILE 46 1HG1 ILE 46 -3.154 -2.283 2.348 850 2HG1 ILE 46 2HG1 ILE 46 -3.719 -3.691 1.443 851 1HG2 ILE 46 1HG2 ILE 46 -6.606 -0.896 2.852 852 2HG2 ILE 46 2HG2 ILE 46 -5.491 -0.398 1.576 853 3HG2 ILE 46 3HG2 ILE 46 -4.907 -0.591 3.232 854 1HD1 ILE 46 1HD1 ILE 46 -2.649 -2.085 -0.020 855 2HD1 ILE 46 2HD1 ILE 46 -3.787 -0.830 0.496 856 3HD1 ILE 46 3HD1 ILE 46 -4.359 -2.236 -0.422 857 H ALA 47 H ALA 47 -6.114 -2.662 5.900 858 HA ALA 47 HA ALA 47 -8.918 -3.261 5.595 859 1HB ALA 47 1HB ALA 47 -7.404 -2.106 7.934 860 2HB ALA 47 2HB ALA 47 -7.725 -3.831 7.684 861 3HB ALA 47 3HB ALA 47 -9.059 -2.706 7.971 862 H HIS 48 H HIS 48 -10.557 -1.794 5.285 863 HA HIS 48 HA HIS 48 -10.001 1.038 5.801 864 1HB HIS 48 1HB HIS 48 -9.546 0.791 3.428 865 2HB HIS 48 2HB HIS 48 -11.067 -0.051 3.171 866 HD1 HIS 48 HD1 HIS 48 -9.959 3.349 4.471 867 HD2 HIS 48 HD2 HIS 48 -13.014 1.560 2.317 868 HE1 HIS 48 HE1 HIS 48 -11.485 5.239 3.796 869 HE2 HIS 48 HE2 HIS 48 -13.484 4.049 2.798 870 H GLY 49 H GLY 49 -11.442 0.977 7.569 871 1HA GLY 49 1HA GLY 49 -13.498 1.599 8.377 872 2HA GLY 49 2HA GLY 49 -14.179 1.397 6.775 873 H ASP 50 H ASP 50 -15.618 -0.151 6.605 874 HA ASP 50 HA ASP 50 -15.760 -2.219 8.650 875 1HB ASP 50 1HB ASP 50 -17.584 -1.648 6.294 876 2HB ASP 50 2HB ASP 50 -17.903 -2.795 7.585 877 H ASP 51 H ASP 51 -14.715 -1.785 5.380 878 HA ASP 51 HA ASP 51 -14.882 -4.652 4.814 879 1HB ASP 51 1HB ASP 51 -15.875 -2.999 3.228 880 2HB ASP 51 2HB ASP 51 -14.261 -2.352 2.951 881 H ARG 52 H ARG 52 -13.060 -5.547 3.445 882 HA ARG 52 HA ARG 52 -10.439 -4.556 4.329 883 1HB ARG 52 1HB ARG 52 -11.253 -7.467 4.381 884 2HB ARG 52 2HB ARG 52 -9.657 -6.846 4.732 885 1HG ARG 52 1HG ARG 52 -12.163 -6.321 6.309 886 2HG ARG 52 2HG ARG 52 -10.850 -7.395 6.777 887 1HD ARG 52 1HD ARG 52 -9.320 -5.475 6.835 888 2HD ARG 52 2HD ARG 52 -10.653 -4.409 6.406 889 HE ARG 52 HE ARG 52 -10.401 -5.907 8.936 890 1HH1 ARG 52 1HH1 ARG 52 -11.818 -3.245 7.105 891 2HH1 ARG 52 2HH1 ARG 52 -12.436 -2.462 8.513 892 1HH2 ARG 52 1HH2 ARG 52 -11.261 -4.867 10.780 893 2HH2 ARG 52 2HH2 ARG 52 -12.133 -3.379 10.605 894 H TYR 53 H TYR 53 -9.001 -4.482 2.711 895 HA TYR 53 HA TYR 53 -9.713 -5.738 0.137 896 1HB TYR 53 1HB TYR 53 -8.062 -3.237 0.637 897 2HB TYR 53 2HB TYR 53 -8.480 -3.899 -0.939 898 HD1 TYR 53 HD1 TYR 53 -10.002 -2.504 2.159 899 HD2 TYR 53 HD2 TYR 53 -10.415 -3.129 -2.029 900 HE1 TYR 53 HE1 TYR 53 -12.024 -1.107 2.156 901 HE2 TYR 53 HE2 TYR 53 -12.446 -1.733 -2.051 902 HH TYR 53 HH TYR 53 -14.191 -0.974 -0.493 903 H ARG 54 H ARG 54 -7.671 -6.048 -1.244 904 HA ARG 54 HA ARG 54 -5.304 -6.726 0.368 905 1HB ARG 54 1HB ARG 54 -6.667 -8.639 -1.544 906 2HB ARG 54 2HB ARG 54 -5.072 -8.887 -0.852 907 1HG ARG 54 1HG ARG 54 -6.050 -8.925 1.393 908 2HG ARG 54 2HG ARG 54 -7.656 -8.688 0.694 909 1HD ARG 54 1HD ARG 54 -5.828 -11.040 0.140 910 2HD ARG 54 2HD ARG 54 -7.207 -11.057 1.238 911 HE ARG 54 HE ARG 54 -8.546 -10.465 -0.834 912 1HH1 ARG 54 1HH1 ARG 54 -5.671 -12.437 -0.941 913 2HH1 ARG 54 2HH1 ARG 54 -6.188 -13.326 -2.322 914 1HH2 ARG 54 1HH2 ARG 54 -9.231 -11.650 -2.622 915 2HH2 ARG 54 2HH2 ARG 54 -8.202 -12.881 -3.291 916 H LEU 55 H LEU 55 -3.546 -6.019 -0.515 917 HA LEU 55 HA LEU 55 -3.435 -5.361 -3.375 918 1HB LEU 55 1HB LEU 55 -2.846 -3.544 -1.792 919 2HB LEU 55 2HB LEU 55 -1.582 -4.543 -1.113 920 HG LEU 55 HG LEU 55 -0.415 -4.548 -3.320 921 1HD1 LEU 55 1HD1 LEU 55 -1.134 -2.908 -5.007 922 2HD1 LEU 55 2HD1 LEU 55 -2.600 -2.572 -4.076 923 3HD1 LEU 55 3HD1 LEU 55 -2.324 -4.176 -4.769 924 1HD2 LEU 55 1HD2 LEU 55 -0.984 -1.799 -2.189 925 2HD2 LEU 55 2HD2 LEU 55 0.409 -2.253 -3.165 926 3HD2 LEU 55 3HD2 LEU 55 0.202 -2.942 -1.558 927 H ARG 56 H ARG 56 -2.447 -6.848 -4.642 928 HA ARG 56 HA ARG 56 -0.598 -8.728 -3.333 929 1HB ARG 56 1HB ARG 56 -2.779 -9.791 -3.635 930 2HB ARG 56 2HB ARG 56 -2.732 -9.444 -5.357 931 1HG ARG 56 1HG ARG 56 -0.891 -10.945 -5.678 932 2HG ARG 56 2HG ARG 56 -0.704 -11.146 -3.950 933 1HD ARG 56 1HD ARG 56 -2.875 -12.247 -3.799 934 2HD ARG 56 2HD ARG 56 -3.120 -11.986 -5.541 935 HE ARG 56 HE ARG 56 -1.355 -13.559 -5.969 936 1HH1 ARG 56 1HH1 ARG 56 -2.381 -13.409 -2.606 937 2HH1 ARG 56 2HH1 ARG 56 -1.677 -14.947 -2.211 938 1HH2 ARG 56 1HH2 ARG 56 -0.486 -15.599 -5.438 939 2HH2 ARG 56 2HH2 ARG 56 -0.620 -16.216 -3.824 940 H LEU 57 H LEU 57 1.101 -9.504 -4.524 941 HA LEU 57 HA LEU 57 1.675 -7.985 -6.999 942 1HB LEU 57 1HB LEU 57 3.183 -7.526 -5.088 943 2HB LEU 57 2HB LEU 57 3.589 -9.232 -5.001 944 HG LEU 57 HG LEU 57 4.555 -9.035 -7.309 945 1HD1 LEU 57 1HD1 LEU 57 3.294 -7.077 -8.038 946 2HD1 LEU 57 2HD1 LEU 57 5.038 -6.844 -8.223 947 3HD1 LEU 57 3HD1 LEU 57 4.178 -6.093 -6.879 948 1HD2 LEU 57 1HD2 LEU 57 5.982 -8.993 -5.317 949 2HD2 LEU 57 2HD2 LEU 57 5.775 -7.240 -5.211 950 3HD2 LEU 57 3HD2 LEU 57 6.607 -7.946 -6.598 951 H THR 58 H THR 58 2.270 -9.082 -8.792 952 HA THR 58 HA THR 58 1.831 -11.926 -8.942 953 HB THR 58 HB THR 58 2.293 -11.665 -11.320 954 HG1 THR 58 HG1 THR 58 3.278 -9.145 -10.487 955 1HG2 THR 58 1HG2 THR 58 0.629 -9.357 -10.301 956 2HG2 THR 58 2HG2 THR 58 0.067 -11.013 -10.526 957 3HG2 THR 58 3HG2 THR 58 0.549 -10.061 -11.929 958 H SER 59 H SER 59 3.588 -13.168 -10.270 959 HA SER 59 HA SER 59 6.062 -12.979 -8.753 960 1HB SER 59 1HB SER 59 5.216 -15.005 -10.859 961 2HB SER 59 2HB SER 59 6.588 -15.140 -9.752 962 HG SER 59 HG SER 59 5.279 -15.774 -8.243 963 H GLN 60 H GLN 60 5.147 -11.233 -11.305 964 HA GLN 60 HA GLN 60 7.743 -10.809 -12.359 965 1HB GLN 60 1HB GLN 60 7.399 -12.911 -13.502 966 2HB GLN 60 2HB GLN 60 5.816 -12.389 -14.069 967 1HG GLN 60 1HG GLN 60 6.898 -10.651 -15.437 968 2HG GLN 60 2HG GLN 60 8.480 -11.204 -14.870 969 1HE2 GLN 60 2HE2 GLN 60 9.135 -11.657 -16.960 970 2HE2 GLN 60 1HE2 GLN 60 8.569 -13.037 -17.831 971 H ASN 61 H ASN 61 4.280 -10.447 -12.944 972 HA ASN 61 HA ASN 61 4.719 -8.464 -14.979 973 1HB ASN 61 1HB ASN 61 2.217 -9.647 -13.798 974 2HB ASN 61 2HB ASN 61 2.157 -8.304 -14.926 975 1HD2 ASN 61 2HD2 ASN 61 2.798 -11.685 -14.526 976 2HD2 ASN 61 1HD2 ASN 61 2.968 -12.055 -16.201 977 H LYS 62 H LYS 62 2.632 -8.200 -12.095 978 HA LYS 62 HA LYS 62 3.534 -5.523 -11.520 979 1HB LYS 62 1HB LYS 62 1.456 -4.388 -12.141 980 2HB LYS 62 2HB LYS 62 2.185 -5.126 -13.556 981 1HG LYS 62 1HG LYS 62 0.639 -7.058 -13.265 982 2HG LYS 62 2HG LYS 62 -0.157 -6.167 -11.973 983 1HD LYS 62 1HD LYS 62 -0.731 -4.375 -13.573 984 2HD LYS 62 2HD LYS 62 0.069 -5.292 -14.864 985 1HE LYS 62 1HE LYS 62 -1.517 -7.146 -14.481 986 2HE LYS 62 2HE LYS 62 -2.335 -6.176 -13.262 987 1HZ LYS 62 1HZ LYS 62 -3.494 -6.029 -15.356 988 2HZ LYS 62 2HZ LYS 62 -2.080 -5.558 -16.143 989 3HZ LYS 62 3HZ LYS 62 -2.791 -4.536 -15.006 990 H LEU 63 H LEU 63 1.159 -4.611 -10.372 991 HA LEU 63 HA LEU 63 0.497 -6.642 -8.350 992 1HB LEU 63 1HB LEU 63 0.566 -4.965 -6.563 993 2HB LEU 63 2HB LEU 63 2.132 -5.178 -7.295 994 HG LEU 63 HG LEU 63 0.321 -2.880 -8.037 995 1HD1 LEU 63 1HD1 LEU 63 1.503 -1.505 -6.444 996 2HD1 LEU 63 2HD1 LEU 63 2.471 -2.878 -5.917 997 3HD1 LEU 63 3HD1 LEU 63 0.736 -2.853 -5.603 998 1HD2 LEU 63 1HD2 LEU 63 3.312 -3.312 -8.286 999 2HD2 LEU 63 2HD2 LEU 63 2.446 -1.841 -8.729 1000 3HD2 LEU 63 3HD2 LEU 63 2.147 -3.324 -9.614 1001 H ILE 64 H ILE 64 -1.562 -6.164 -7.251 1002 HA ILE 64 HA ILE 64 -3.384 -4.483 -8.770 1003 HB ILE 64 HB ILE 64 -4.978 -6.467 -9.096 1004 1HG1 ILE 64 1HG1 ILE 64 -3.681 -8.623 -9.608 1005 2HG1 ILE 64 2HG1 ILE 64 -2.360 -7.917 -8.705 1006 1HG2 ILE 64 1HG2 ILE 64 -4.061 -6.968 -11.306 1007 2HG2 ILE 64 2HG2 ILE 64 -2.514 -6.248 -10.832 1008 3HG2 ILE 64 3HG2 ILE 64 -3.963 -5.248 -10.940 1009 1HD1 ILE 64 1HD1 ILE 64 -3.719 -7.894 -6.697 1010 2HD1 ILE 64 2HD1 ILE 64 -3.668 -9.508 -7.397 1011 3HD1 ILE 64 3HD1 ILE 64 -5.096 -8.504 -7.608 1012 H LEU 65 H LEU 65 -5.694 -4.764 -7.947 1013 HA LEU 65 HA LEU 65 -5.615 -5.018 -5.012 1014 1HB LEU 65 1HB LEU 65 -6.283 -2.827 -5.984 1015 2HB LEU 65 2HB LEU 65 -7.632 -3.603 -6.788 1016 HG LEU 65 HG LEU 65 -8.596 -4.182 -4.582 1017 1HD1 LEU 65 1HD1 LEU 65 -7.660 -3.166 -2.539 1018 2HD1 LEU 65 2HD1 LEU 65 -6.293 -2.562 -3.474 1019 3HD1 LEU 65 3HD1 LEU 65 -6.526 -4.301 -3.276 1020 1HD2 LEU 65 1HD2 LEU 65 -9.291 -2.126 -5.700 1021 2HD2 LEU 65 2HD2 LEU 65 -7.953 -1.236 -4.957 1022 3HD2 LEU 65 3HD2 LEU 65 -9.261 -1.896 -3.954 1023 H THR 66 H THR 66 -7.311 -6.225 -4.013 1024 HA THR 66 HA THR 66 -9.120 -7.819 -5.535 1025 HB THR 66 HB THR 66 -7.057 -9.056 -6.112 1026 HG1 THR 66 HG1 THR 66 -7.853 -11.069 -4.719 1027 1HG2 THR 66 1HG2 THR 66 -5.756 -8.484 -4.083 1028 2HG2 THR 66 2HG2 THR 66 -5.762 -10.214 -4.425 1029 3HG2 THR 66 3HG2 THR 66 -6.773 -9.575 -3.144 1030 H LYS 67 H LYS 67 -10.328 -9.315 -4.217 1031 HA LYS 67 HA LYS 67 -10.198 -8.896 -1.312 1032 1HB LYS 67 1HB LYS 67 -12.534 -8.180 -3.108 1033 2HB LYS 67 2HB LYS 67 -12.764 -8.570 -1.398 1034 1HG LYS 67 1HG LYS 67 -11.261 -6.739 -0.783 1035 2HG LYS 67 2HG LYS 67 -11.089 -6.325 -2.491 1036 1HD LYS 67 1HD LYS 67 -12.765 -4.920 -1.315 1037 2HD LYS 67 2HD LYS 67 -13.449 -5.826 -2.657 1038 1HE LYS 67 1HE LYS 67 -14.293 -7.519 -1.100 1039 2HE LYS 67 2HE LYS 67 -13.621 -6.597 0.258 1040 1HZ LYS 67 1HZ LYS 67 -16.010 -6.213 -0.117 1041 2HZ LYS 67 2HZ LYS 67 -15.650 -5.548 -1.631 1042 3HZ LYS 67 3HZ LYS 67 -15.087 -4.800 -0.221 Start of MODEL 14 1 1H MET 1 1H MET 1 16.153 49.311 45.169 2 2H MET 1 2H MET 1 15.767 50.413 43.946 3 3H MET 1 3H MET 1 16.074 50.958 45.521 4 HA MET 1 HA MET 1 17.946 51.396 44.078 5 1HB MET 1 1HB MET 1 19.695 50.419 45.520 6 2HB MET 1 2HB MET 1 18.344 51.009 46.467 7 1HG MET 1 1HG MET 1 17.496 48.737 46.711 8 2HG MET 1 2HG MET 1 18.834 48.131 45.733 9 1HE MET 1 1HE MET 1 18.102 47.018 48.631 10 2HE MET 1 2HE MET 1 19.702 46.881 49.378 11 3HE MET 1 3HE MET 1 19.463 46.398 47.692 12 H MET 2 H MET 2 16.500 48.399 43.563 13 HA MET 2 HA MET 2 18.271 47.816 41.338 14 1HB MET 2 1HB MET 2 19.380 46.740 43.338 15 2HB MET 2 2HB MET 2 17.935 45.762 43.572 16 1HG MET 2 1HG MET 2 19.658 44.502 42.452 17 2HG MET 2 2HG MET 2 18.278 44.750 41.383 18 1HE MET 2 1HE MET 2 21.103 47.327 42.336 19 2HE MET 2 2HE MET 2 22.271 47.091 41.035 20 3HE MET 2 3HE MET 2 21.958 45.814 42.222 21 H THR 3 H THR 3 15.421 48.445 42.010 22 HA THR 3 HA THR 3 13.752 46.236 41.817 23 HB THR 3 HB THR 3 13.226 49.065 40.902 24 HG1 THR 3 HG1 THR 3 12.878 47.771 43.429 25 1HG2 THR 3 1HG2 THR 3 10.859 48.551 41.339 26 2HG2 THR 3 2HG2 THR 3 11.298 46.892 41.737 27 3HG2 THR 3 3HG2 THR 3 11.512 47.493 40.096 28 H ALA 4 H ALA 4 15.365 48.137 39.338 29 HA ALA 4 HA ALA 4 13.910 46.863 37.162 30 1HB ALA 4 1HB ALA 4 14.598 49.197 36.953 31 2HB ALA 4 2HB ALA 4 15.332 48.199 35.697 32 3HB ALA 4 3HB ALA 4 16.293 48.707 37.086 33 H SER 5 H SER 5 14.395 44.696 37.470 34 HA SER 5 HA SER 5 17.106 43.890 36.691 35 1HB SER 5 1HB SER 5 15.298 42.539 38.719 36 2HB SER 5 2HB SER 5 16.800 41.851 38.125 37 HG SER 5 HG SER 5 16.614 44.371 39.449 38 H ASP 6 H ASP 6 15.039 44.353 34.862 39 HA ASP 6 HA ASP 6 13.621 41.926 34.271 40 1HB ASP 6 1HB ASP 6 12.851 44.200 33.558 41 2HB ASP 6 2HB ASP 6 14.188 44.248 32.416 42 H ARG 7 H ARG 7 13.954 40.646 32.274 43 HA ARG 7 HA ARG 7 16.722 39.943 32.007 44 1HB ARG 7 1HB ARG 7 15.094 38.157 32.028 45 2HB ARG 7 2HB ARG 7 14.220 38.873 30.674 46 1HG ARG 7 1HG ARG 7 15.557 36.953 29.950 47 2HG ARG 7 2HG ARG 7 16.108 38.431 29.184 48 1HD ARG 7 1HD ARG 7 17.901 38.561 30.963 49 2HD ARG 7 2HD ARG 7 17.390 36.944 31.471 50 HE ARG 7 HE ARG 7 17.877 36.597 28.845 51 1HH1 ARG 7 1HH1 ARG 7 19.760 38.080 31.400 52 2HH1 ARG 7 2HH1 ARG 7 21.276 37.636 30.705 53 1HH2 ARG 7 1HH2 ARG 7 19.891 35.987 27.924 54 2HH2 ARG 7 2HH2 ARG 7 21.355 36.434 28.752 55 H LEU 8 H LEU 8 17.609 41.865 31.093 56 HA LEU 8 HA LEU 8 16.959 42.676 28.445 57 1HB LEU 8 1HB LEU 8 19.431 43.050 30.139 58 2HB LEU 8 2HB LEU 8 19.369 43.610 28.482 59 HG LEU 8 HG LEU 8 17.447 45.059 29.046 60 1HD1 LEU 8 1HD1 LEU 8 16.508 43.868 30.928 61 2HD1 LEU 8 2HD1 LEU 8 16.929 45.497 31.414 62 3HD1 LEU 8 3HD1 LEU 8 17.958 44.145 31.885 63 1HD2 LEU 8 1HD2 LEU 8 19.948 45.458 30.693 64 2HD2 LEU 8 2HD2 LEU 8 18.738 46.698 30.366 65 3HD2 LEU 8 3HD2 LEU 8 19.658 46.003 29.036 66 H GLY 9 H GLY 9 16.771 40.932 27.111 67 1HA GLY 9 1HA GLY 9 18.257 39.834 25.403 68 2HA GLY 9 2HA GLY 9 19.143 39.192 26.786 69 H ALA 10 H ALA 10 15.648 39.519 26.229 70 HA ALA 10 HA ALA 10 15.346 36.652 26.785 71 1HB ALA 10 1HB ALA 10 13.255 38.850 26.933 72 2HB ALA 10 2HB ALA 10 14.137 38.177 28.318 73 3HB ALA 10 3HB ALA 10 13.032 37.157 27.397 74 H ASP 11 H ASP 11 15.705 35.839 24.741 75 HA ASP 11 HA ASP 11 13.846 36.698 22.620 76 1HB ASP 11 1HB ASP 11 15.517 35.874 21.009 77 2HB ASP 11 2HB ASP 11 16.196 37.111 22.042 78 HA PRO 12 HA PRO 12 12.075 32.587 23.270 79 1HB PRO 12 1HB PRO 12 10.366 33.383 20.994 80 2HB PRO 12 2HB PRO 12 9.903 32.904 22.625 81 1HG PRO 12 1HG PRO 12 9.694 35.455 21.798 82 2HG PRO 12 2HG PRO 12 10.150 35.052 23.470 83 1HD PRO 12 1HD PRO 12 11.891 35.898 21.171 84 2HD PRO 12 2HD PRO 12 11.954 36.397 22.886 85 H THR 13 H THR 13 12.015 30.645 22.059 86 HA THR 13 HA THR 13 12.935 30.675 19.314 87 HB THR 13 HB THR 13 15.040 30.591 20.476 88 HG1 THR 13 HG1 THR 13 15.832 28.708 19.564 89 1HG2 THR 13 1HG2 THR 13 14.285 29.816 22.675 90 2HG2 THR 13 2HG2 THR 13 15.626 28.818 22.076 91 3HG2 THR 13 3HG2 THR 13 13.973 28.221 21.985 92 H GLN 14 H GLN 14 11.671 29.341 18.236 93 HA GLN 14 HA GLN 14 11.021 26.705 19.243 94 1HB GLN 14 1HB GLN 14 9.246 28.607 19.976 95 2HB GLN 14 2HB GLN 14 8.601 28.232 18.388 96 1HG GLN 14 1HG GLN 14 9.124 26.141 20.473 97 2HG GLN 14 2HG GLN 14 7.605 27.024 20.371 98 1HE2 GLN 14 2HE2 GLN 14 6.416 25.205 19.970 99 2HE2 GLN 14 1HE2 GLN 14 6.484 24.320 18.483 100 H ALA 15 H ALA 15 11.969 25.791 17.488 101 HA ALA 15 HA ALA 15 10.845 26.466 14.848 102 1HB ALA 15 1HB ALA 15 13.037 25.971 13.862 103 2HB ALA 15 2HB ALA 15 13.690 25.670 15.470 104 3HB ALA 15 3HB ALA 15 13.135 27.289 15.027 105 H ALA 16 H ALA 16 10.117 24.361 16.906 106 HA ALA 16 HA ALA 16 10.893 21.809 16.103 107 1HB ALA 16 1HB ALA 16 9.586 22.247 18.121 108 2HB ALA 16 2HB ALA 16 8.786 21.036 17.104 109 3HB ALA 16 3HB ALA 16 8.196 22.699 17.131 110 H SER 17 H SER 17 11.048 21.554 13.904 111 HA SER 17 HA SER 17 8.726 22.058 12.198 112 1HB SER 17 1HB SER 17 11.540 21.213 11.437 113 2HB SER 17 2HB SER 17 10.292 21.814 10.344 114 HG SER 17 HG SER 17 10.752 23.518 12.422 115 H SER 18 H SER 18 7.439 20.482 11.518 116 HA SER 18 HA SER 18 8.419 17.778 11.109 117 1HB SER 18 1HB SER 18 7.703 17.762 13.477 118 2HB SER 18 2HB SER 18 6.099 18.294 12.990 119 HG SER 18 HG SER 18 7.402 15.841 12.460 120 HA PRO 19 HA PRO 19 5.233 18.853 7.990 121 1HB PRO 19 1HB PRO 19 6.699 18.497 5.818 122 2HB PRO 19 2HB PRO 19 6.962 19.936 6.834 123 1HG PRO 19 1HG PRO 19 8.581 17.429 6.633 124 2HG PRO 19 2HG PRO 19 9.125 19.099 6.838 125 1HD PRO 19 1HD PRO 19 8.823 17.216 8.905 126 2HD PRO 19 2HD PRO 19 8.999 18.969 9.107 127 H GLY 20 H GLY 20 4.911 17.411 5.797 128 1HA GLY 20 1HA GLY 20 4.248 14.786 6.539 129 2HA GLY 20 2HA GLY 20 4.331 15.380 4.889 130 H GLY 21 H GLY 21 6.542 15.618 3.972 131 1HA GLY 21 1HA GLY 21 8.549 14.716 3.332 132 2HA GLY 21 2HA GLY 21 8.886 14.630 5.062 133 H ALA 22 H ALA 22 9.826 12.692 5.294 134 HA ALA 22 HA ALA 22 8.579 10.319 4.104 135 1HB ALA 22 1HB ALA 22 10.555 9.113 4.898 136 2HB ALA 22 2HB ALA 22 11.148 10.569 5.696 137 3HB ALA 22 3HB ALA 22 11.012 10.515 3.935 138 H ARG 23 H ARG 23 7.524 8.795 5.302 139 HA ARG 23 HA ARG 23 7.463 9.067 8.231 140 1HB ARG 23 1HB ARG 23 5.026 8.946 8.309 141 2HB ARG 23 2HB ARG 23 5.529 10.377 7.410 142 1HG ARG 23 1HG ARG 23 5.025 9.235 5.303 143 2HG ARG 23 2HG ARG 23 4.517 7.798 6.214 144 1HD ARG 23 1HD ARG 23 2.773 9.108 7.313 145 2HD ARG 23 2HD ARG 23 3.290 10.557 6.449 146 HE ARG 23 HE ARG 23 1.929 8.224 5.296 147 1HH1 ARG 23 1HH1 ARG 23 3.194 11.458 4.916 148 2HH1 ARG 23 2HH1 ARG 23 2.262 11.806 3.499 149 1HH2 ARG 23 1HH2 ARG 23 0.675 8.675 3.403 150 2HH2 ARG 23 2HH2 ARG 23 0.836 10.233 2.642 151 H ALA 24 H ALA 24 6.729 7.192 9.328 152 HA ALA 24 HA ALA 24 7.202 4.757 7.750 153 1HB ALA 24 1HB ALA 24 7.959 3.712 9.829 154 2HB ALA 24 2HB ALA 24 7.570 5.192 10.707 155 3HB ALA 24 3HB ALA 24 8.861 5.196 9.502 156 H VAL 25 H VAL 25 5.651 3.328 7.487 157 HA VAL 25 HA VAL 25 3.322 3.427 9.290 158 HB VAL 25 HB VAL 25 1.929 2.600 7.360 159 1HG1 VAL 25 1HG1 VAL 25 1.772 4.796 6.232 160 2HG1 VAL 25 2HG1 VAL 25 3.308 5.270 6.951 161 3HG1 VAL 25 3HG1 VAL 25 1.916 4.959 7.977 162 1HG2 VAL 25 1HG2 VAL 25 2.884 2.931 5.058 163 2HG2 VAL 25 2HG2 VAL 25 3.641 1.628 5.981 164 3HG2 VAL 25 3HG2 VAL 25 4.467 3.179 5.805 165 H SER 26 H SER 26 2.560 1.473 10.043 166 HA SER 26 HA SER 26 4.517 -0.695 9.738 167 1HB SER 26 1HB SER 26 3.388 -1.561 11.887 168 2HB SER 26 2HB SER 26 4.293 -0.068 12.015 169 HG SER 26 HG SER 26 1.492 -0.432 11.948 170 H ILE 27 H ILE 27 3.915 -2.840 9.681 171 HA ILE 27 HA ILE 27 1.274 -3.473 8.491 172 HB ILE 27 HB ILE 27 4.011 -4.569 7.780 173 1HG1 ILE 27 1HG1 ILE 27 3.215 -4.167 5.453 174 2HG1 ILE 27 2HG1 ILE 27 1.750 -3.446 6.092 175 1HG2 ILE 27 1HG2 ILE 27 2.898 -6.305 6.454 176 2HG2 ILE 27 2HG2 ILE 27 1.350 -5.834 7.148 177 3HG2 ILE 27 3HG2 ILE 27 2.613 -6.493 8.185 178 1HD1 ILE 27 1HD1 ILE 27 4.527 -2.430 6.603 179 2HD1 ILE 27 2HD1 ILE 27 3.008 -1.657 7.084 180 3HD1 ILE 27 3HD1 ILE 27 3.423 -1.804 5.377 181 H VAL 28 H VAL 28 0.122 -4.924 9.682 182 HA VAL 28 HA VAL 28 1.539 -6.230 11.888 183 HB VAL 28 HB VAL 28 -0.801 -6.741 12.744 184 1HG1 VAL 28 1HG1 VAL 28 -1.143 -4.467 13.601 185 2HG1 VAL 28 2HG1 VAL 28 0.010 -3.852 12.406 186 3HG1 VAL 28 3HG1 VAL 28 0.555 -4.954 13.675 187 1HG2 VAL 28 1HG2 VAL 28 -2.006 -6.451 10.611 188 2HG2 VAL 28 2HG2 VAL 28 -1.601 -4.742 10.632 189 3HG2 VAL 28 3HG2 VAL 28 -2.641 -5.409 11.886 190 H GLY 29 H GLY 29 2.475 -7.987 10.980 191 1HA GLY 29 1HA GLY 29 2.513 -10.248 10.398 192 2HA GLY 29 2HA GLY 29 0.761 -10.219 10.312 193 H ASN 30 H ASN 30 -0.237 -9.250 8.429 194 HA ASN 30 HA ASN 30 1.485 -8.741 6.117 195 1HB ASN 30 1HB ASN 30 0.239 -10.301 4.683 196 2HB ASN 30 2HB ASN 30 1.049 -11.174 5.985 197 1HD2 ASN 30 2HD2 ASN 30 -1.309 -11.861 4.340 198 2HD2 ASN 30 1HD2 ASN 30 -2.571 -12.180 5.467 199 H GLN 31 H GLN 31 -0.630 -7.448 7.994 200 HA GLN 31 HA GLN 31 -2.396 -6.439 5.846 201 1HB GLN 31 1HB GLN 31 -3.669 -7.806 7.421 202 2HB GLN 31 2HB GLN 31 -3.088 -6.827 8.762 203 1HG GLN 31 1HG GLN 31 -4.244 -4.864 7.794 204 2HG GLN 31 2HG GLN 31 -4.851 -5.888 6.507 205 1HE2 GLN 31 2HE2 GLN 31 -5.077 -5.052 9.868 206 2HE2 GLN 31 1HE2 GLN 31 -6.565 -5.868 10.175 207 H ILE 32 H ILE 32 -1.951 -4.404 5.372 208 HA ILE 32 HA ILE 32 -1.108 -2.553 7.495 209 HB ILE 32 HB ILE 32 0.218 -2.635 5.375 210 1HG1 ILE 32 1HG1 ILE 32 -1.184 0.015 5.871 211 2HG1 ILE 32 2HG1 ILE 32 0.186 -0.598 6.797 212 1HG2 ILE 32 1HG2 ILE 32 -1.621 -3.071 3.824 213 2HG2 ILE 32 2HG2 ILE 32 -0.677 -1.661 3.335 214 3HG2 ILE 32 3HG2 ILE 32 -2.251 -1.445 4.108 215 1HD1 ILE 32 1HD1 ILE 32 1.564 -0.515 4.768 216 2HD1 ILE 32 2HD1 ILE 32 0.933 1.054 5.220 217 3HD1 ILE 32 3HD1 ILE 32 0.204 0.161 3.884 218 H ASP 33 H ASP 33 -2.189 -0.431 7.562 219 HA ASP 33 HA ASP 33 -5.069 -0.656 7.018 220 1HB ASP 33 1HB ASP 33 -4.638 -0.479 9.347 221 2HB ASP 33 2HB ASP 33 -3.511 0.847 9.126 222 H SER 34 H SER 34 -6.060 0.805 5.751 223 HA SER 34 HA SER 34 -4.579 2.305 3.928 224 1HB SER 34 1HB SER 34 -6.832 1.401 3.454 225 2HB SER 34 2HB SER 34 -7.520 2.521 4.620 226 HG SER 34 HG SER 34 -6.181 4.047 3.018 227 H ARG 35 H ARG 35 -5.813 3.106 7.019 228 HA ARG 35 HA ARG 35 -5.916 5.948 6.689 229 1HB ARG 35 1HB ARG 35 -7.233 4.931 8.422 230 2HB ARG 35 2HB ARG 35 -5.822 4.202 9.148 231 1HG ARG 35 1HG ARG 35 -5.987 7.181 8.957 232 2HG ARG 35 2HG ARG 35 -6.909 6.319 10.194 233 1HD ARG 35 1HD ARG 35 -3.917 6.344 9.788 234 2HD ARG 35 2HD ARG 35 -4.831 6.961 11.179 235 HE ARG 35 HE ARG 35 -5.153 4.123 10.641 236 1HH1 ARG 35 1HH1 ARG 35 -3.292 6.524 12.383 237 2HH1 ARG 35 2HH1 ARG 35 -2.745 5.400 13.580 238 1HH2 ARG 35 1HH2 ARG 35 -4.403 2.665 12.191 239 2HH2 ARG 35 2HH2 ARG 35 -3.378 3.198 13.475 240 H GLU 36 H GLU 36 -3.449 3.665 7.698 241 HA GLU 36 HA GLU 36 -1.491 5.426 8.625 242 1HB GLU 36 1HB GLU 36 -1.264 2.799 7.155 243 2HB GLU 36 2HB GLU 36 0.115 3.617 7.845 244 1HG GLU 36 1HG GLU 36 -2.280 2.874 9.507 245 2HG GLU 36 2HG GLU 36 -0.945 1.743 9.205 246 H LEU 37 H LEU 37 -2.081 4.253 5.317 247 HA LEU 37 HA LEU 37 0.115 5.680 4.168 248 1HB LEU 37 1HB LEU 37 -2.358 4.499 2.877 249 2HB LEU 37 2HB LEU 37 -0.951 5.089 2.023 250 HG LEU 37 HG LEU 37 -0.923 2.746 3.938 251 1HD1 LEU 37 1HD1 LEU 37 -2.225 2.231 1.936 252 2HD1 LEU 37 2HD1 LEU 37 -0.686 1.361 1.921 253 3HD1 LEU 37 3HD1 LEU 37 -0.903 2.792 0.908 254 1HD2 LEU 37 1HD2 LEU 37 1.192 3.749 2.042 255 2HD2 LEU 37 2HD2 LEU 37 1.302 2.340 3.100 256 3HD2 LEU 37 3HD2 LEU 37 1.208 3.955 3.786 257 H PHE 38 H PHE 38 -3.389 6.236 4.322 258 HA PHE 38 HA PHE 38 -3.051 8.789 2.904 259 1HB PHE 38 1HB PHE 38 -5.539 7.194 3.547 260 2HB PHE 38 2HB PHE 38 -5.509 8.702 2.645 261 HD1 PHE 38 HD2 PHE 38 -4.509 8.772 0.407 262 HD2 PHE 38 HD1 PHE 38 -4.909 5.113 2.529 263 HE1 PHE 38 HE2 PHE 38 -4.128 7.531 -1.689 264 HE2 PHE 38 HE1 PHE 38 -4.502 3.864 0.456 265 HZ PHE 38 HZ PHE 38 -4.131 5.077 -1.652 266 H THR 39 H THR 39 -2.308 8.394 5.728 267 HA THR 39 HA THR 39 -4.177 9.444 7.503 268 HB THR 39 HB THR 39 -2.115 8.430 8.280 269 HG1 THR 39 HG1 THR 39 -1.440 10.599 9.551 270 1HG2 THR 39 1HG2 THR 39 0.035 9.634 8.173 271 2HG2 THR 39 2HG2 THR 39 -0.725 10.868 7.183 272 3HG2 THR 39 3HG2 THR 39 -0.575 9.218 6.560 273 H VAL 40 H VAL 40 -2.185 11.104 5.164 274 HA VAL 40 HA VAL 40 -3.501 13.636 5.928 275 HB VAL 40 HB VAL 40 -0.601 13.369 5.045 276 1HG1 VAL 40 1HG1 VAL 40 -2.155 15.860 5.782 277 2HG1 VAL 40 2HG1 VAL 40 -1.646 15.420 4.156 278 3HG1 VAL 40 3HG1 VAL 40 -0.445 15.790 5.395 279 1HG2 VAL 40 1HG2 VAL 40 -0.878 12.686 7.358 280 2HG2 VAL 40 2HG2 VAL 40 -1.748 14.186 7.714 281 3HG2 VAL 40 3HG2 VAL 40 -0.044 14.239 7.267 282 H ASP 41 H ASP 41 -1.722 11.906 3.374 283 HA ASP 41 HA ASP 41 -2.661 13.618 1.298 284 1HB ASP 41 1HB ASP 41 -1.431 10.861 1.095 285 2HB ASP 41 2HB ASP 41 -1.631 12.013 -0.242 286 H ARG 42 H ARG 42 -3.727 12.526 -0.689 287 HA ARG 42 HA ARG 42 -5.994 10.879 0.220 288 1HB ARG 42 1HB ARG 42 -6.531 13.292 -0.422 289 2HB ARG 42 2HB ARG 42 -6.070 12.871 -2.056 290 1HG ARG 42 1HG ARG 42 -7.857 11.166 -2.093 291 2HG ARG 42 2HG ARG 42 -8.332 11.643 -0.475 292 1HD ARG 42 1HD ARG 42 -8.602 14.016 -1.456 293 2HD ARG 42 2HD ARG 42 -8.549 13.226 -3.025 294 HE ARG 42 HE ARG 42 -10.570 12.660 -0.949 295 1HH1 ARG 42 1HH1 ARG 42 -9.639 12.897 -4.332 296 2HH1 ARG 42 2HH1 ARG 42 -11.248 12.552 -4.917 297 1HH2 ARG 42 1HH2 ARG 42 -12.645 12.191 -1.714 298 2HH2 ARG 42 2HH2 ARG 42 -12.941 12.123 -3.418 299 H GLU 43 H GLU 43 -3.252 11.044 -1.555 300 HA GLU 43 HA GLU 43 -3.892 8.697 -3.102 301 1HB GLU 43 1HB GLU 43 -4.450 10.678 -4.557 302 2HB GLU 43 2HB GLU 43 -2.756 11.148 -4.474 303 1HG GLU 43 1HG GLU 43 -2.132 9.007 -5.545 304 2HG GLU 43 2HG GLU 43 -3.830 8.582 -5.652 305 H ILE 44 H ILE 44 -2.099 7.466 -3.492 306 HA ILE 44 HA ILE 44 0.477 8.428 -2.446 307 HB ILE 44 HB ILE 44 -0.801 5.736 -1.853 308 1HG1 ILE 44 1HG1 ILE 44 -1.630 7.615 -0.450 309 2HG1 ILE 44 2HG1 ILE 44 -0.711 6.454 0.497 310 1HG2 ILE 44 1HG2 ILE 44 1.243 5.253 -0.540 311 2HG2 ILE 44 2HG2 ILE 44 1.974 6.731 -1.179 312 3HG2 ILE 44 3HG2 ILE 44 1.561 5.413 -2.274 313 1HD1 ILE 44 1HD1 ILE 44 0.269 9.125 -0.502 314 2HD1 ILE 44 2HD1 ILE 44 1.231 7.954 0.406 315 3HD1 ILE 44 3HD1 ILE 44 -0.163 8.710 1.151 316 H VAL 45 H VAL 45 2.289 7.559 -3.496 317 HA VAL 45 HA VAL 45 1.724 6.265 -6.059 318 HB VAL 45 HB VAL 45 4.254 7.674 -5.186 319 1HG1 VAL 45 1HG1 VAL 45 4.907 7.523 -7.561 320 2HG1 VAL 45 2HG1 VAL 45 3.467 6.555 -7.881 321 3HG1 VAL 45 3HG1 VAL 45 4.728 5.933 -6.821 322 1HG2 VAL 45 1HG2 VAL 45 2.366 9.218 -5.471 323 2HG2 VAL 45 2HG2 VAL 45 2.084 8.597 -7.090 324 3HG2 VAL 45 3HG2 VAL 45 3.583 9.465 -6.721 325 H ILE 46 H ILE 46 2.834 4.400 -6.665 326 HA ILE 46 HA ILE 46 4.260 2.985 -4.520 327 HB ILE 46 HB ILE 46 2.110 1.741 -6.271 328 1HG1 ILE 46 1HG1 ILE 46 2.111 2.268 -3.287 329 2HG1 ILE 46 2HG1 ILE 46 1.190 3.190 -4.469 330 1HG2 ILE 46 1HG2 ILE 46 2.477 -0.291 -4.930 331 2HG2 ILE 46 2HG2 ILE 46 3.778 0.511 -4.079 332 3HG2 ILE 46 3HG2 ILE 46 3.938 0.176 -5.795 333 1HD1 ILE 46 1HD1 ILE 46 0.841 0.262 -3.846 334 2HD1 ILE 46 2HD1 ILE 46 -0.108 1.207 -4.994 335 3HD1 ILE 46 3HD1 ILE 46 -0.181 1.584 -3.269 336 H ALA 47 H ALA 47 6.309 2.840 -5.410 337 HA ALA 47 HA ALA 47 6.617 2.575 -8.263 338 1HB ALA 47 1HB ALA 47 9.002 2.822 -7.792 339 2HB ALA 47 2HB ALA 47 8.677 2.771 -6.057 340 3HB ALA 47 3HB ALA 47 8.061 4.104 -7.034 341 H HIS 48 H HIS 48 7.220 0.770 -9.326 342 HA HIS 48 HA HIS 48 8.154 -1.572 -7.844 343 1HB HIS 48 1HB HIS 48 5.778 -1.955 -7.916 344 2HB HIS 48 2HB HIS 48 5.711 -1.504 -9.619 345 HD1 HIS 48 HD1 HIS 48 6.957 -4.315 -7.420 346 HD2 HIS 48 HD2 HIS 48 6.103 -3.514 -11.394 347 HE1 HIS 48 HE1 HIS 48 7.104 -6.527 -8.579 348 HE2 HIS 48 HE2 HIS 48 6.890 -5.962 -11.040 349 H GLY 49 H GLY 49 10.196 -1.394 -8.835 350 1HA GLY 49 1HA GLY 49 11.662 -2.156 -10.437 351 2HA GLY 49 2HA GLY 49 10.294 -2.610 -11.437 352 H ASP 50 H ASP 50 10.062 -1.485 -13.243 353 HA ASP 50 HA ASP 50 11.460 1.073 -13.515 354 1HB ASP 50 1HB ASP 50 11.706 -0.764 -15.223 355 2HB ASP 50 2HB ASP 50 9.998 -0.531 -15.630 356 H ASP 51 H ASP 51 8.269 -0.241 -13.195 357 HA ASP 51 HA ASP 51 7.019 2.233 -14.181 358 1HB ASP 51 1HB ASP 51 6.235 0.085 -15.116 359 2HB ASP 51 2HB ASP 51 5.745 -0.442 -13.507 360 H ARG 52 H ARG 52 5.019 2.899 -12.973 361 HA ARG 52 HA ARG 52 5.198 2.591 -10.073 362 1HB ARG 52 1HB ARG 52 5.388 5.297 -11.446 363 2HB ARG 52 2HB ARG 52 5.060 5.066 -9.734 364 1HG ARG 52 1HG ARG 52 7.274 3.868 -9.590 365 2HG ARG 52 2HG ARG 52 7.577 4.401 -11.248 366 1HD ARG 52 1HD ARG 52 7.085 6.188 -8.848 367 2HD ARG 52 2HD ARG 52 8.623 5.932 -9.664 368 HE ARG 52 HE ARG 52 7.296 6.844 -11.695 369 1HH1 ARG 52 1HH1 ARG 52 7.020 7.955 -8.403 370 2HH1 ARG 52 2HH1 ARG 52 6.544 9.551 -8.863 371 1HH2 ARG 52 1HH2 ARG 52 6.652 8.943 -12.293 372 2HH2 ARG 52 2HH2 ARG 52 6.333 10.141 -11.059 373 H TYR 53 H TYR 53 3.288 2.962 -9.022 374 HA TYR 53 HA TYR 53 0.914 3.370 -10.734 375 1HB TYR 53 1HB TYR 53 1.190 1.579 -8.294 376 2HB TYR 53 2HB TYR 53 -0.282 1.827 -9.223 377 HD1 TYR 53 HD2 TYR 53 3.214 0.569 -9.540 378 HD2 TYR 53 HD1 TYR 53 -0.785 0.454 -11.022 379 HE1 TYR 53 HE2 TYR 53 3.822 -1.300 -11.037 380 HE2 TYR 53 HE1 TYR 53 -0.180 -1.422 -12.494 381 HH TYR 53 HH TYR 53 2.202 -2.231 -13.580 382 H ARG 54 H ARG 54 -1.062 3.919 -9.251 383 HA ARG 54 HA ARG 54 -0.266 5.725 -7.060 384 1HB ARG 54 1HB ARG 54 -2.100 6.421 -9.370 385 2HB ARG 54 2HB ARG 54 -1.946 7.389 -7.904 386 1HG ARG 54 1HG ARG 54 0.440 7.763 -8.431 387 2HG ARG 54 2HG ARG 54 0.260 6.808 -9.894 388 1HD ARG 54 1HD ARG 54 -1.229 9.371 -9.294 389 2HD ARG 54 2HD ARG 54 0.161 9.214 -10.373 390 HE ARG 54 HE ARG 54 -1.192 7.933 -11.870 391 1HH1 ARG 54 1HH1 ARG 54 -2.963 9.561 -9.311 392 2HH1 ARG 54 2HH1 ARG 54 -4.491 9.469 -10.143 393 1HH2 ARG 54 1HH2 ARG 54 -3.191 7.890 -12.985 394 2HH2 ARG 54 2HH2 ARG 54 -4.599 8.555 -12.239 395 H LEU 55 H LEU 55 -1.177 4.709 -5.387 396 HA LEU 55 HA LEU 55 -3.855 3.572 -5.551 397 1HB LEU 55 1HB LEU 55 -1.731 2.868 -4.039 398 2HB LEU 55 2HB LEU 55 -2.477 3.978 -2.917 399 HG LEU 55 HG LEU 55 -3.760 1.480 -4.081 400 1HD1 LEU 55 1HD1 LEU 55 -2.048 1.014 -2.450 401 2HD1 LEU 55 2HD1 LEU 55 -3.644 0.663 -1.797 402 3HD1 LEU 55 3HD1 LEU 55 -2.788 2.126 -1.297 403 1HD2 LEU 55 1HD2 LEU 55 -4.890 3.354 -1.999 404 2HD2 LEU 55 2HD2 LEU 55 -5.655 1.924 -2.713 405 3HD2 LEU 55 3HD2 LEU 55 -5.371 3.347 -3.694 406 H ARG 56 H ARG 56 -5.630 4.771 -5.256 407 HA ARG 56 HA ARG 56 -5.366 7.338 -3.819 408 1HB ARG 56 1HB ARG 56 -5.669 7.846 -6.147 409 2HB ARG 56 2HB ARG 56 -6.990 6.693 -6.281 410 1HG ARG 56 1HG ARG 56 -8.336 8.143 -4.734 411 2HG ARG 56 2HG ARG 56 -7.001 9.294 -4.761 412 1HD ARG 56 1HD ARG 56 -8.537 8.371 -7.204 413 2HD ARG 56 2HD ARG 56 -8.845 9.868 -6.320 414 HE ARG 56 HE ARG 56 -6.174 9.918 -6.975 415 1HH1 ARG 56 1HH1 ARG 56 -9.221 9.846 -8.703 416 2HH1 ARG 56 2HH1 ARG 56 -8.591 10.688 -10.082 417 1HH2 ARG 56 1HH2 ARG 56 -5.358 11.074 -8.779 418 2HH2 ARG 56 2HH2 ARG 56 -6.422 11.406 -10.113 419 H LEU 57 H LEU 57 -6.955 7.892 -2.371 420 HA LEU 57 HA LEU 57 -8.944 5.820 -1.781 421 1HB LEU 57 1HB LEU 57 -7.093 6.741 -0.089 422 2HB LEU 57 2HB LEU 57 -8.271 8.010 0.162 423 HG LEU 57 HG LEU 57 -8.770 5.055 0.579 424 1HD1 LEU 57 1HD1 LEU 57 -8.320 7.243 2.602 425 2HD1 LEU 57 2HD1 LEU 57 -7.200 5.923 2.224 426 3HD1 LEU 57 3HD1 LEU 57 -8.758 5.580 2.967 427 1HD2 LEU 57 1HD2 LEU 57 -10.503 7.417 1.292 428 2HD2 LEU 57 2HD2 LEU 57 -10.840 5.717 1.659 429 3HD2 LEU 57 3HD2 LEU 57 -10.805 6.268 -0.014 430 H THR 58 H THR 58 -11.031 6.325 -2.031 431 HA THR 58 HA THR 58 -11.763 8.899 -3.139 432 HB THR 58 HB THR 58 -14.062 7.906 -3.249 433 HG1 THR 58 HG1 THR 58 -12.910 5.422 -2.632 434 1HG2 THR 58 1HG2 THR 58 -13.530 6.268 -4.995 435 2HG2 THR 58 2HG2 THR 58 -11.852 6.223 -4.461 436 3HG2 THR 58 3HG2 THR 58 -12.526 7.696 -5.165 437 H SER 59 H SER 59 -14.107 9.623 -2.196 438 HA SER 59 HA SER 59 -13.532 10.672 0.384 439 1HB SER 59 1HB SER 59 -16.182 10.675 -1.098 440 2HB SER 59 2HB SER 59 -15.728 11.745 0.224 441 HG SER 59 HG SER 59 -15.449 12.661 -1.916 442 H GLN 60 H GLN 60 -13.126 8.654 1.484 443 HA GLN 60 HA GLN 60 -13.629 7.281 3.195 444 1HB GLN 60 1HB GLN 60 -15.140 8.998 4.024 445 2HB GLN 60 2HB GLN 60 -16.407 8.419 2.940 446 1HG GLN 60 1HG GLN 60 -16.682 6.400 4.173 447 2HG GLN 60 2HG GLN 60 -15.246 6.729 5.146 448 1HE2 GLN 60 2HE2 GLN 60 -16.446 6.568 7.061 449 2HE2 GLN 60 1HE2 GLN 60 -17.554 7.805 7.544 450 H ASN 61 H ASN 61 -15.304 7.032 0.255 451 HA ASN 61 HA ASN 61 -16.936 4.803 0.754 452 1HB ASN 61 1HB ASN 61 -17.281 6.349 -1.158 453 2HB ASN 61 2HB ASN 61 -15.796 5.736 -1.904 454 1HD2 ASN 61 2HD2 ASN 61 -19.121 5.094 -1.222 455 2HD2 ASN 61 1HD2 ASN 61 -19.248 3.651 -2.154 456 H LYS 62 H LYS 62 -13.764 4.974 -0.921 457 HA LYS 62 HA LYS 62 -13.063 2.305 -0.182 458 1HB LYS 62 1HB LYS 62 -13.116 1.300 -2.398 459 2HB LYS 62 2HB LYS 62 -14.738 1.807 -1.923 460 1HG LYS 62 1HG LYS 62 -14.551 3.775 -3.339 461 2HG LYS 62 2HG LYS 62 -12.888 3.345 -3.761 462 1HD LYS 62 1HD LYS 62 -13.685 1.316 -4.858 463 2HD LYS 62 2HD LYS 62 -15.341 1.699 -4.371 464 1HE LYS 62 1HE LYS 62 -15.266 3.753 -5.702 465 2HE LYS 62 2HE LYS 62 -13.612 3.368 -6.200 466 1HZ LYS 62 1HZ LYS 62 -14.360 1.532 -7.430 467 2HZ LYS 62 2HZ LYS 62 -15.448 2.767 -7.808 468 3HZ LYS 62 3HZ LYS 62 -15.891 1.532 -6.721 469 H LEU 63 H LEU 63 -11.163 1.605 -1.912 470 HA LEU 63 HA LEU 63 -9.693 3.983 -2.760 471 1HB LEU 63 1HB LEU 63 -7.562 3.131 -1.933 472 2HB LEU 63 2HB LEU 63 -8.675 3.380 -0.608 473 HG LEU 63 HG LEU 63 -8.166 0.661 -1.833 474 1HD1 LEU 63 1HD1 LEU 63 -6.069 1.563 -0.942 475 2HD1 LEU 63 2HD1 LEU 63 -6.660 0.223 0.031 476 3HD1 LEU 63 3HD1 LEU 63 -6.858 1.880 0.602 477 1HD2 LEU 63 1HD2 LEU 63 -10.238 0.817 -0.583 478 2HD2 LEU 63 2HD2 LEU 63 -9.382 1.504 0.796 479 3HD2 LEU 63 3HD2 LEU 63 -9.075 -0.168 0.295 480 H ILE 64 H ILE 64 -7.953 3.364 -4.350 481 HA ILE 64 HA ILE 64 -8.493 0.910 -5.841 482 HB ILE 64 HB ILE 64 -8.794 2.277 -7.988 483 1HG1 ILE 64 1HG1 ILE 64 -10.084 4.485 -7.496 484 2HG1 ILE 64 2HG1 ILE 64 -9.292 4.433 -5.929 485 1HG2 ILE 64 1HG2 ILE 64 -11.028 2.302 -5.975 486 2HG2 ILE 64 2HG2 ILE 64 -10.594 0.957 -7.024 487 3HG2 ILE 64 3HG2 ILE 64 -11.230 2.445 -7.719 488 1HD1 ILE 64 1HD1 ILE 64 -7.843 4.477 -8.578 489 2HD1 ILE 64 2HD1 ILE 64 -7.137 4.531 -6.968 490 3HD1 ILE 64 3HD1 ILE 64 -8.120 5.872 -7.543 491 H LEU 65 H LEU 65 -7.075 0.826 -7.831 492 HA LEU 65 HA LEU 65 -4.493 2.166 -7.303 493 1HB LEU 65 1HB LEU 65 -4.413 -0.227 -6.662 494 2HB LEU 65 2HB LEU 65 -4.939 -0.667 -8.276 495 HG LEU 65 HG LEU 65 -2.817 0.416 -9.152 496 1HD1 LEU 65 1HD1 LEU 65 -2.306 1.854 -7.293 497 2HD1 LEU 65 2HD1 LEU 65 -0.975 0.729 -7.581 498 3HD1 LEU 65 3HD1 LEU 65 -2.100 0.443 -6.255 499 1HD2 LEU 65 1HD2 LEU 65 -1.423 -1.495 -8.663 500 2HD2 LEU 65 2HD2 LEU 65 -3.097 -2.024 -8.887 501 3HD2 LEU 65 3HD2 LEU 65 -2.413 -1.892 -7.255 502 H THR 66 H THR 66 -4.167 3.565 -8.962 503 HA THR 66 HA THR 66 -4.862 2.702 -11.679 504 HB THR 66 HB THR 66 -6.682 4.163 -10.859 505 HG1 THR 66 HG1 THR 66 -5.638 5.992 -12.549 506 1HG2 THR 66 1HG2 THR 66 -4.494 6.233 -10.505 507 2HG2 THR 66 2HG2 THR 66 -5.414 5.461 -9.211 508 3HG2 THR 66 3HG2 THR 66 -6.228 6.527 -10.366 509 H LYS 67 H LYS 67 -3.924 4.359 -13.298 510 HA LYS 67 HA LYS 67 -1.776 6.009 -12.409 511 1HB LYS 67 1HB LYS 67 0.010 4.945 -13.799 512 2HB LYS 67 2HB LYS 67 -0.445 4.024 -12.389 513 1HG LYS 67 1HG LYS 67 -1.744 2.505 -13.763 514 2HG LYS 67 2HG LYS 67 -1.406 3.466 -15.189 515 1HD LYS 67 1HD LYS 67 0.991 3.012 -14.948 516 2HD LYS 67 2HD LYS 67 0.666 2.075 -13.496 517 1HE LYS 67 1HE LYS 67 -0.537 0.422 -14.744 518 2HE LYS 67 2HE LYS 67 -0.454 1.390 -16.211 519 1HZ LYS 67 1HZ LYS 67 1.182 -0.415 -16.165 520 2HZ LYS 67 2HZ LYS 67 1.899 0.281 -14.788 521 3HZ LYS 67 3HZ LYS 67 1.908 1.110 -16.264 522 1H MET 1 1H MET 1 -12.051 -13.466 50.974 523 2H MET 1 2H MET 1 -11.435 -13.026 52.494 524 3H MET 1 3H MET 1 -10.429 -12.999 51.128 525 HA MET 1 HA MET 1 -12.788 -11.293 51.580 526 1HB MET 1 1HB MET 1 -9.834 -10.685 51.743 527 2HB MET 1 2HB MET 1 -11.069 -9.438 51.652 528 1HG MET 1 1HG MET 1 -12.077 -10.317 53.730 529 2HG MET 1 2HG MET 1 -10.772 -11.501 53.825 530 1HE MET 1 1HE MET 1 -10.361 -7.761 52.589 531 2HE MET 1 2HE MET 1 -10.076 -6.954 54.119 532 3HE MET 1 3HE MET 1 -11.646 -7.692 53.789 533 H MET 2 H MET 2 -10.092 -12.194 49.468 534 HA MET 2 HA MET 2 -11.634 -11.441 47.160 535 1HB MET 2 1HB MET 2 -9.995 -9.877 46.221 536 2HB MET 2 2HB MET 2 -10.555 -9.274 47.773 537 1HG MET 2 1HG MET 2 -8.503 -10.117 48.815 538 2HG MET 2 2HG MET 2 -7.937 -10.676 47.241 539 1HE MET 2 1HE MET 2 -5.708 -9.313 47.510 540 2HE MET 2 2HE MET 2 -6.203 -8.650 49.074 541 3HE MET 2 3HE MET 2 -5.623 -7.571 47.804 542 H THR 3 H THR 3 -10.773 -12.340 45.230 543 HA THR 3 HA THR 3 -9.556 -14.850 45.551 544 HB THR 3 HB THR 3 -9.626 -13.213 42.993 545 HG1 THR 3 HG1 THR 3 -11.724 -13.604 42.880 546 1HG2 THR 3 1HG2 THR 3 -9.690 -16.208 43.487 547 2HG2 THR 3 2HG2 THR 3 -8.320 -15.293 42.829 548 3HG2 THR 3 3HG2 THR 3 -9.829 -15.429 41.913 549 H ALA 4 H ALA 4 -7.496 -15.515 45.562 550 HA ALA 4 HA ALA 4 -5.369 -13.753 46.060 551 1HB ALA 4 1HB ALA 4 -3.919 -15.700 45.866 552 2HB ALA 4 2HB ALA 4 -5.218 -16.614 45.085 553 3HB ALA 4 3HB ALA 4 -5.380 -16.109 46.778 554 H SER 5 H SER 5 -6.704 -14.805 43.079 555 HA SER 5 HA SER 5 -4.422 -14.465 41.434 556 1HB SER 5 1HB SER 5 -7.370 -14.353 40.684 557 2HB SER 5 2HB SER 5 -6.031 -14.584 39.568 558 HG SER 5 HG SER 5 -5.534 -16.477 40.971 559 H ASP 6 H ASP 6 -5.511 -12.086 43.224 560 HA ASP 6 HA ASP 6 -6.073 -9.939 41.505 561 1HB ASP 6 1HB ASP 6 -6.363 -9.807 43.964 562 2HB ASP 6 2HB ASP 6 -4.610 -9.870 44.165 563 H ARG 7 H ARG 7 -4.842 -9.754 39.759 564 HA ARG 7 HA ARG 7 -3.117 -9.303 38.376 565 1HB ARG 7 1HB ARG 7 -1.703 -8.378 40.905 566 2HB ARG 7 2HB ARG 7 -1.125 -8.127 39.254 567 1HG ARG 7 1HG ARG 7 -3.376 -6.925 38.879 568 2HG ARG 7 2HG ARG 7 -3.494 -6.908 40.625 569 1HD ARG 7 1HD ARG 7 -2.524 -4.822 39.832 570 2HD ARG 7 2HD ARG 7 -1.340 -5.723 40.767 571 HE ARG 7 HE ARG 7 -0.914 -6.506 38.157 572 1HH1 ARG 7 1HH1 ARG 7 -0.899 -3.403 39.799 573 2HH1 ARG 7 2HH1 ARG 7 0.300 -2.728 38.745 574 1HH2 ARG 7 1HH2 ARG 7 0.631 -5.612 36.802 575 2HH2 ARG 7 2HH2 ARG 7 1.171 -3.982 37.048 576 H LEU 8 H LEU 8 -3.297 -11.846 40.117 577 HA LEU 8 HA LEU 8 -0.602 -12.882 39.619 578 1HB LEU 8 1HB LEU 8 -1.806 -13.258 41.847 579 2HB LEU 8 2HB LEU 8 -2.892 -14.330 40.985 580 HG LEU 8 HG LEU 8 0.100 -14.759 41.098 581 1HD1 LEU 8 1HD1 LEU 8 -0.307 -16.407 42.853 582 2HD1 LEU 8 2HD1 LEU 8 -2.009 -15.973 42.868 583 3HD1 LEU 8 3HD1 LEU 8 -0.802 -14.793 43.375 584 1HD2 LEU 8 1HD2 LEU 8 -0.480 -17.064 40.486 585 2HD2 LEU 8 2HD2 LEU 8 -1.020 -15.913 39.268 586 3HD2 LEU 8 3HD2 LEU 8 -2.186 -16.609 40.401 587 H GLY 9 H GLY 9 -0.271 -14.276 37.940 588 1HA GLY 9 1HA GLY 9 -0.763 -15.451 36.005 589 2HA GLY 9 2HA GLY 9 -2.437 -15.536 36.530 590 H ALA 10 H ALA 10 -0.360 -12.735 36.015 591 HA ALA 10 HA ALA 10 -2.471 -11.273 34.773 592 1HB ALA 10 1HB ALA 10 -0.799 -10.210 36.224 593 2HB ALA 10 2HB ALA 10 -0.838 -9.466 34.614 594 3HB ALA 10 3HB ALA 10 0.467 -10.588 35.045 595 H ASP 11 H ASP 11 0.171 -13.200 33.635 596 HA ASP 11 HA ASP 11 0.165 -12.297 30.927 597 1HB ASP 11 1HB ASP 11 1.073 -14.934 32.141 598 2HB ASP 11 2HB ASP 11 1.361 -14.443 30.479 599 HA PRO 12 HA PRO 12 -3.923 -14.087 30.484 600 1HB PRO 12 1HB PRO 12 -4.528 -13.023 28.044 601 2HB PRO 12 2HB PRO 12 -4.544 -12.063 29.530 602 1HG PRO 12 1HG PRO 12 -2.414 -12.251 27.427 603 2HG PRO 12 2HG PRO 12 -3.036 -10.818 28.261 604 1HD PRO 12 1HD PRO 12 -0.705 -12.044 28.941 605 2HD PRO 12 2HD PRO 12 -1.724 -11.163 30.118 606 H THR 13 H THR 13 -1.351 -14.383 28.114 607 HA THR 13 HA THR 13 -0.959 -15.786 26.350 608 HB THR 13 HB THR 13 -2.426 -17.837 28.054 609 HG1 THR 13 HG1 THR 13 0.311 -17.044 28.154 610 1HG2 THR 13 1HG2 THR 13 -0.150 -18.150 26.073 611 2HG2 THR 13 2HG2 THR 13 -1.827 -18.640 25.803 612 3HG2 THR 13 3HG2 THR 13 -0.867 -19.444 27.042 613 H GLN 14 H GLN 14 -2.626 -14.372 25.261 614 HA GLN 14 HA GLN 14 -5.347 -15.156 25.126 615 1HB GLN 14 1HB GLN 14 -5.543 -13.465 23.341 616 2HB GLN 14 2HB GLN 14 -4.681 -12.839 24.751 617 1HG GLN 14 1HG GLN 14 -2.551 -13.172 23.584 618 2HG GLN 14 2HG GLN 14 -3.418 -13.787 22.182 619 1HE2 GLN 14 2HE2 GLN 14 -5.572 -11.803 22.454 620 2HE2 GLN 14 1HE2 GLN 14 -4.914 -10.324 21.905 621 H ALA 15 H ALA 15 -6.527 -16.026 23.400 622 HA ALA 15 HA ALA 15 -5.300 -18.163 22.019 623 1HB ALA 15 1HB ALA 15 -7.481 -18.476 20.958 624 2HB ALA 15 2HB ALA 15 -7.997 -16.894 21.536 625 3HB ALA 15 3HB ALA 15 -7.664 -18.189 22.693 626 H ALA 16 H ALA 16 -3.611 -17.313 20.809 627 HA ALA 16 HA ALA 16 -4.378 -16.236 18.219 628 1HB ALA 16 1HB ALA 16 -2.789 -14.373 18.306 629 2HB ALA 16 2HB ALA 16 -2.446 -14.742 19.990 630 3HB ALA 16 3HB ALA 16 -4.048 -14.201 19.527 631 H SER 17 H SER 17 -3.650 -18.211 17.422 632 HA SER 17 HA SER 17 -0.984 -19.128 17.947 633 1HB SER 17 1HB SER 17 -2.975 -20.012 15.842 634 2HB SER 17 2HB SER 17 -1.514 -20.879 16.310 635 HG SER 17 HG SER 17 -2.891 -20.330 18.520 636 H SER 18 H SER 18 -2.513 -17.080 15.610 637 HA SER 18 HA SER 18 -0.327 -17.043 13.746 638 1HB SER 18 1HB SER 18 -2.626 -15.086 14.076 639 2HB SER 18 2HB SER 18 -1.573 -15.230 12.667 640 HG SER 18 HG SER 18 -2.420 -17.621 12.918 641 HA PRO 19 HA PRO 19 2.041 -14.298 16.459 642 1HB PRO 19 1HB PRO 19 4.053 -14.426 14.319 643 2HB PRO 19 2HB PRO 19 4.185 -14.933 15.996 644 1HG PRO 19 1HG PRO 19 4.102 -16.693 13.977 645 2HG PRO 19 2HG PRO 19 3.394 -17.046 15.577 646 1HD PRO 19 1HD PRO 19 2.017 -16.221 13.039 647 2HD PRO 19 2HD PRO 19 1.522 -17.408 14.269 648 H GLY 20 H GLY 20 1.987 -12.131 16.475 649 1HA GLY 20 1HA GLY 20 1.091 -10.683 14.134 650 2HA GLY 20 2HA GLY 20 1.379 -10.029 15.748 651 H GLY 21 H GLY 21 3.279 -11.531 13.135 652 1HA GLY 21 1HA GLY 21 5.694 -10.175 13.751 653 2HA GLY 21 2HA GLY 21 5.317 -10.997 12.245 654 H ALA 22 H ALA 22 5.245 -7.972 13.948 655 HA ALA 22 HA ALA 22 4.090 -6.571 11.647 656 1HB ALA 22 1HB ALA 22 3.340 -5.968 13.912 657 2HB ALA 22 2HB ALA 22 4.075 -4.603 13.066 658 3HB ALA 22 3HB ALA 22 4.991 -5.465 14.311 659 H ARG 23 H ARG 23 5.185 -5.065 10.424 660 HA ARG 23 HA ARG 23 8.005 -4.548 10.971 661 1HB ARG 23 1HB ARG 23 8.665 -4.997 8.659 662 2HB ARG 23 2HB ARG 23 7.983 -6.441 9.392 663 1HG ARG 23 1HG ARG 23 5.815 -5.857 8.240 664 2HG ARG 23 2HG ARG 23 6.713 -4.633 7.353 665 1HD ARG 23 1HD ARG 23 8.248 -6.427 6.549 666 2HD ARG 23 2HD ARG 23 7.255 -7.611 7.395 667 HE ARG 23 HE ARG 23 6.295 -5.957 5.132 668 1HH1 ARG 23 1HH1 ARG 23 6.320 -8.980 6.922 669 2HH1 ARG 23 2HH1 ARG 23 5.311 -9.809 5.759 670 1HH2 ARG 23 1HH2 ARG 23 4.965 -7.055 3.602 671 2HH2 ARG 23 2HH2 ARG 23 4.537 -8.730 3.911 672 H ALA 24 H ALA 24 8.822 -2.652 9.940 673 HA ALA 24 HA ALA 24 6.679 -0.697 9.451 674 1HB ALA 24 1HB ALA 24 8.033 -0.239 11.410 675 2HB ALA 24 2HB ALA 24 8.285 0.984 10.181 676 3HB ALA 24 3HB ALA 24 9.509 -0.262 10.438 677 H VAL 25 H VAL 25 6.480 0.153 7.495 678 HA VAL 25 HA VAL 25 8.776 0.067 5.628 679 HB VAL 25 HB VAL 25 7.143 -0.036 3.766 680 1HG1 VAL 25 1HG1 VAL 25 8.069 -2.123 4.596 681 2HG1 VAL 25 2HG1 VAL 25 6.385 -2.365 4.126 682 3HG1 VAL 25 3HG1 VAL 25 6.814 -2.231 5.832 683 1HG2 VAL 25 1HG2 VAL 25 5.088 -0.241 5.989 684 2HG2 VAL 25 2HG2 VAL 25 4.761 -0.533 4.285 685 3HG2 VAL 25 3HG2 VAL 25 5.248 1.076 4.815 686 H SER 26 H SER 26 9.258 1.963 4.538 687 HA SER 26 HA SER 26 8.020 4.329 5.734 688 1HB SER 26 1HB SER 26 10.627 4.071 4.226 689 2HB SER 26 2HB SER 26 10.055 5.519 5.043 690 HG SER 26 HG SER 26 10.512 3.027 6.313 691 H ILE 27 H ILE 27 7.610 6.202 4.549 692 HA ILE 27 HA ILE 27 6.958 5.843 1.677 693 HB ILE 27 HB ILE 27 5.551 7.835 3.460 694 1HG1 ILE 27 1HG1 ILE 27 5.230 5.610 4.519 695 2HG1 ILE 27 2HG1 ILE 27 3.717 6.250 3.886 696 1HG2 ILE 27 1HG2 ILE 27 5.314 8.116 1.073 697 2HG2 ILE 27 2HG2 ILE 27 3.764 7.656 1.777 698 3HG2 ILE 27 3HG2 ILE 27 4.735 6.461 0.902 699 1HD1 ILE 27 1HD1 ILE 27 5.442 4.131 2.600 700 2HD1 ILE 27 2HD1 ILE 27 3.925 4.771 1.946 701 3HD1 ILE 27 3HD1 ILE 27 3.932 3.890 3.465 702 H VAL 28 H VAL 28 8.036 7.269 0.387 703 HA VAL 28 HA VAL 28 9.520 9.437 1.718 704 HB VAL 28 HB VAL 28 10.780 9.608 -0.460 705 1HG1 VAL 28 1HG1 VAL 28 12.171 7.663 -0.036 706 2HG1 VAL 28 2HG1 VAL 28 10.886 6.903 0.882 707 3HG1 VAL 28 3HG1 VAL 28 11.637 8.376 1.487 708 1HG2 VAL 28 1HG2 VAL 28 9.293 7.070 -1.116 709 2HG2 VAL 28 2HG2 VAL 28 10.663 7.709 -2.023 710 3HG2 VAL 28 3HG2 VAL 28 9.151 8.607 -1.959 711 H GLY 29 H GLY 29 8.056 11.034 1.968 712 1HA GLY 29 1HA GLY 29 7.024 12.991 1.284 713 2HA GLY 29 2HA GLY 29 7.337 12.543 -0.391 714 H ASN 30 H ASN 30 6.004 10.901 -1.357 715 HA ASN 30 HA ASN 30 3.525 10.166 0.007 716 1HB ASN 30 1HB ASN 30 2.090 10.988 -1.797 717 2HB ASN 30 2HB ASN 30 2.998 12.323 -1.111 718 1HD2 ASN 30 2HD2 ASN 30 2.587 10.250 -3.837 719 2HD2 ASN 30 1HD2 ASN 30 3.512 11.196 -4.965 720 H GLN 31 H GLN 31 6.065 9.003 -1.345 721 HA GLN 31 HA GLN 31 4.677 7.077 -3.095 722 1HB GLN 31 1HB GLN 31 6.180 8.500 -4.369 723 2HB GLN 31 2HB GLN 31 7.519 8.098 -3.296 724 1HG GLN 31 1HG GLN 31 7.440 5.785 -4.038 725 2HG GLN 31 2HG GLN 31 6.044 6.133 -5.061 726 1HE2 GLN 31 2HE2 GLN 31 9.474 6.428 -4.720 727 2HE2 GLN 31 1HE2 GLN 31 9.803 6.995 -6.310 728 H ILE 32 H ILE 32 4.562 5.135 -2.168 729 HA ILE 32 HA ILE 32 6.793 4.185 -0.510 730 HB ILE 32 HB ILE 32 4.542 3.925 0.454 731 1HG1 ILE 32 1HG1 ILE 32 5.805 1.273 -0.325 732 2HG1 ILE 32 2HG1 ILE 32 6.289 2.272 1.039 733 1HG2 ILE 32 1HG2 ILE 32 2.888 2.455 -0.495 734 2HG2 ILE 32 2HG2 ILE 32 3.938 2.097 -1.865 735 3HG2 ILE 32 3HG2 ILE 32 3.289 3.723 -1.665 736 1HD1 ILE 32 1HD1 ILE 32 4.063 1.935 2.041 737 2HD1 ILE 32 2HD1 ILE 32 4.934 0.427 1.802 738 3HD1 ILE 32 3HD1 ILE 32 3.642 0.888 0.689 739 H ASP 33 H ASP 33 7.646 2.033 -0.917 740 HA ASP 33 HA ASP 33 7.658 1.410 -3.793 741 1HB ASP 33 1HB ASP 33 9.823 2.016 -2.665 742 2HB ASP 33 2HB ASP 33 9.700 0.545 -1.727 743 H SER 34 H SER 34 7.061 -0.554 -4.534 744 HA SER 34 HA SER 34 5.296 -2.103 -3.029 745 1HB SER 34 1HB SER 34 5.225 -1.879 -5.516 746 2HB SER 34 2HB SER 34 6.697 -2.854 -5.622 747 HG SER 34 HG SER 34 5.268 -4.412 -4.281 748 H ARG 35 H ARG 35 8.702 -2.294 -3.442 749 HA ARG 35 HA ARG 35 9.046 -5.059 -2.815 750 1HB ARG 35 1HB ARG 35 10.800 -3.950 -4.007 751 2HB ARG 35 2HB ARG 35 10.962 -2.734 -2.762 752 1HG ARG 35 1HG ARG 35 11.475 -5.600 -2.090 753 2HG ARG 35 2HG ARG 35 12.680 -4.664 -2.980 754 1HD ARG 35 1HD ARG 35 12.899 -3.084 -1.211 755 2HD ARG 35 2HD ARG 35 11.473 -3.716 -0.382 756 HE ARG 35 HE ARG 35 13.496 -5.696 -0.669 757 1HH1 ARG 35 1HH1 ARG 35 12.561 -2.904 1.228 758 2HH1 ARG 35 2HH1 ARG 35 13.424 -3.417 2.651 759 1HH2 ARG 35 1HH2 ARG 35 14.660 -6.358 1.180 760 2HH2 ARG 35 2HH2 ARG 35 14.612 -5.396 2.616 761 H GLU 36 H GLU 36 8.888 -2.101 -0.955 762 HA GLU 36 HA GLU 36 9.712 -3.039 1.520 763 1HB GLU 36 1HB GLU 36 7.581 -0.992 0.887 764 2HB GLU 36 2HB GLU 36 8.334 -1.201 2.463 765 1HG GLU 36 1HG GLU 36 9.705 -0.352 -0.093 766 2HG GLU 36 2HG GLU 36 9.322 0.665 1.298 767 H LEU 37 H LEU 37 6.449 -2.995 0.102 768 HA LEU 37 HA LEU 37 5.187 -4.160 2.371 769 1HB LEU 37 1HB LEU 37 4.277 -3.912 -0.504 770 2HB LEU 37 2HB LEU 37 3.250 -4.451 0.806 771 HG LEU 37 HG LEU 37 4.518 -1.703 0.632 772 1HD1 LEU 37 1HD1 LEU 37 2.793 -2.035 -1.057 773 2HD1 LEU 37 2HD1 LEU 37 2.236 -0.932 0.196 774 3HD1 LEU 37 3HD1 LEU 37 1.660 -2.598 0.177 775 1HD2 LEU 37 1HD2 LEU 37 2.533 -2.873 2.592 776 2HD2 LEU 37 2HD2 LEU 37 3.021 -1.184 2.527 777 3HD2 LEU 37 3HD2 LEU 37 4.209 -2.421 2.939 778 H PHE 38 H PHE 38 6.240 -5.418 -0.764 779 HA PHE 38 HA PHE 38 5.406 -8.124 0.029 780 1HB PHE 38 1HB PHE 38 6.254 -7.006 -2.668 781 2HB PHE 38 2HB PHE 38 5.716 -8.669 -2.369 782 HD1 PHE 38 HD1 PHE 38 3.377 -9.135 -1.806 783 HD2 PHE 38 HD2 PHE 38 4.675 -5.179 -2.771 784 HE1 PHE 38 HE1 PHE 38 1.049 -8.446 -2.159 785 HE2 PHE 38 HE2 PHE 38 2.340 -4.502 -3.127 786 HZ PHE 38 HZ PHE 38 0.527 -6.117 -2.806 787 H THR 39 H THR 39 7.806 -6.830 1.126 788 HA THR 39 HA THR 39 10.170 -7.719 -0.069 789 HB THR 39 HB THR 39 10.058 -6.091 1.802 790 HG1 THR 39 HG1 THR 39 12.023 -7.205 1.281 791 1HG2 THR 39 1HG2 THR 39 8.448 -7.219 3.260 792 2HG2 THR 39 2HG2 THR 39 9.956 -6.913 4.135 793 3HG2 THR 39 3HG2 THR 39 9.604 -8.535 3.533 794 H VAL 40 H VAL 40 7.854 -9.477 1.881 795 HA VAL 40 HA VAL 40 9.428 -11.915 1.465 796 HB VAL 40 HB VAL 40 9.722 -11.394 3.788 797 1HG1 VAL 40 1HG1 VAL 40 7.874 -9.883 4.136 798 2HG1 VAL 40 2HG1 VAL 40 7.858 -11.160 5.352 799 3HG1 VAL 40 3HG1 VAL 40 6.723 -11.216 4.010 800 1HG2 VAL 40 1HG2 VAL 40 9.429 -13.739 3.270 801 2HG2 VAL 40 2HG2 VAL 40 7.686 -13.611 3.485 802 3HG2 VAL 40 3HG2 VAL 40 8.766 -13.379 4.868 803 H ASP 41 H ASP 41 6.223 -10.592 2.201 804 HA ASP 41 HA ASP 41 4.835 -12.997 1.474 805 1HB ASP 41 1HB ASP 41 3.766 -10.180 1.828 806 2HB ASP 41 2HB ASP 41 2.792 -11.638 1.719 807 H ARG 42 H ARG 42 2.993 -12.738 -0.199 808 HA ARG 42 HA ARG 42 4.010 -11.441 -2.629 809 1HB ARG 42 1HB ARG 42 4.182 -13.905 -2.797 810 2HB ARG 42 2HB ARG 42 2.456 -14.035 -2.449 811 1HG ARG 42 1HG ARG 42 1.953 -12.799 -4.501 812 2HG ARG 42 2HG ARG 42 3.667 -12.708 -4.870 813 1HD ARG 42 1HD ARG 42 2.118 -15.275 -4.554 814 2HD ARG 42 2HD ARG 42 2.465 -14.512 -6.094 815 HE ARG 42 HE ARG 42 4.545 -15.496 -4.263 816 1HH1 ARG 42 1HH1 ARG 42 3.258 -15.026 -7.475 817 2HH1 ARG 42 2HH1 ARG 42 4.564 -15.869 -8.269 818 1HH2 ARG 42 1HH2 ARG 42 6.216 -16.677 -5.263 819 2HH2 ARG 42 2HH2 ARG 42 6.220 -16.852 -6.991 820 H GLU 43 H GLU 43 1.724 -11.480 -0.291 821 HA GLU 43 HA GLU 43 -0.121 -9.860 -1.810 822 1HB GLU 43 1HB GLU 43 -0.992 -12.168 -2.081 823 2HB GLU 43 2HB GLU 43 -1.038 -12.329 -0.338 824 1HG GLU 43 1HG GLU 43 -2.675 -10.478 -0.248 825 2HG GLU 43 2HG GLU 43 -2.683 -10.444 -1.998 826 H ILE 44 H ILE 44 -1.172 -8.400 -0.516 827 HA ILE 44 HA ILE 44 -0.588 -8.450 2.366 828 HB ILE 44 HB ILE 44 -0.288 -6.061 0.500 829 1HG1 ILE 44 1HG1 ILE 44 1.654 -7.605 0.516 830 2HG1 ILE 44 2HG1 ILE 44 2.050 -6.035 1.198 831 1HG2 ILE 44 1HG2 ILE 44 0.326 -4.768 2.501 832 2HG2 ILE 44 2HG2 ILE 44 -0.061 -6.153 3.506 833 3HG2 ILE 44 3HG2 ILE 44 -1.334 -5.355 2.576 834 1HD1 ILE 44 1HD1 ILE 44 3.046 -7.834 2.493 835 2HD1 ILE 44 2HD1 ILE 44 1.446 -8.540 2.764 836 3HD1 ILE 44 3HD1 ILE 44 1.850 -6.965 3.451 837 H VAL 45 H VAL 45 -2.179 -7.501 3.642 838 HA VAL 45 HA VAL 45 -4.766 -7.129 2.293 839 HB VAL 45 HB VAL 45 -4.242 -7.590 5.241 840 1HG1 VAL 45 1HG1 VAL 45 -6.817 -7.706 3.656 841 2HG1 VAL 45 2HG1 VAL 45 -6.350 -6.432 4.788 842 3HG1 VAL 45 3HG1 VAL 45 -6.649 -8.059 5.378 843 1HG2 VAL 45 1HG2 VAL 45 -5.085 -9.576 3.125 844 2HG2 VAL 45 2HG2 VAL 45 -5.034 -9.890 4.854 845 3HG2 VAL 45 3HG2 VAL 45 -3.541 -9.543 3.968 846 H ILE 46 H ILE 46 -6.014 -5.313 2.749 847 HA ILE 46 HA ILE 46 -4.636 -3.058 4.066 848 HB ILE 46 HB ILE 46 -6.049 -2.877 1.378 849 1HG1 ILE 46 1HG1 ILE 46 -3.107 -2.538 2.056 850 2HG1 ILE 46 2HG1 ILE 46 -3.813 -3.898 1.189 851 1HG2 ILE 46 1HG2 ILE 46 -5.380 -0.514 1.409 852 2HG2 ILE 46 2HG2 ILE 46 -4.654 -0.737 3.005 853 3HG2 ILE 46 3HG2 ILE 46 -6.405 -0.892 2.804 854 1HD1 ILE 46 1HD1 ILE 46 -3.791 -1.043 0.250 855 2HD1 ILE 46 2HD1 ILE 46 -4.451 -2.396 -0.641 856 3HD1 ILE 46 3HD1 ILE 46 -2.721 -2.310 -0.314 857 H ALA 47 H ALA 47 -6.000 -2.708 5.801 858 HA ALA 47 HA ALA 47 -8.827 -3.162 5.525 859 1HB ALA 47 1HB ALA 47 -8.894 -2.785 7.923 860 2HB ALA 47 2HB ALA 47 -7.227 -2.253 7.902 861 3HB ALA 47 3HB ALA 47 -7.613 -3.927 7.523 862 H HIS 48 H HIS 48 -10.380 -1.631 5.437 863 HA HIS 48 HA HIS 48 -9.678 1.155 5.919 864 1HB HIS 48 1HB HIS 48 -9.305 1.106 3.579 865 2HB HIS 48 2HB HIS 48 -10.662 0.034 3.300 866 HD1 HIS 48 HD1 HIS 48 -10.054 3.623 4.388 867 HD2 HIS 48 HD2 HIS 48 -12.944 1.292 2.525 868 HE1 HIS 48 HE1 HIS 48 -11.875 5.207 3.704 869 HE2 HIS 48 HE2 HIS 48 -13.709 3.713 2.846 870 H GLY 49 H GLY 49 -11.062 1.156 7.737 871 1HA GLY 49 1HA GLY 49 -13.098 1.779 8.623 872 2HA GLY 49 2HA GLY 49 -13.829 1.622 7.052 873 H ASP 50 H ASP 50 -15.229 0.033 6.832 874 HA ASP 50 HA ASP 50 -15.257 -2.139 8.789 875 1HB ASP 50 1HB ASP 50 -17.387 -1.059 8.439 876 2HB ASP 50 2HB ASP 50 -17.251 -1.261 6.692 877 H ASP 51 H ASP 51 -14.454 -1.533 5.477 878 HA ASP 51 HA ASP 51 -14.595 -4.375 4.805 879 1HB ASP 51 1HB ASP 51 -15.709 -2.605 3.364 880 2HB ASP 51 2HB ASP 51 -14.085 -2.073 2.918 881 H ARG 52 H ARG 52 -12.794 -5.135 3.292 882 HA ARG 52 HA ARG 52 -10.188 -4.003 3.904 883 1HB ARG 52 1HB ARG 52 -10.908 -6.885 4.550 884 2HB ARG 52 2HB ARG 52 -9.273 -6.254 4.554 885 1HG ARG 52 1HG ARG 52 -10.006 -4.603 6.309 886 2HG ARG 52 2HG ARG 52 -11.513 -5.522 6.391 887 1HD ARG 52 1HD ARG 52 -8.722 -6.569 6.943 888 2HD ARG 52 2HD ARG 52 -9.972 -6.238 8.140 889 HE ARG 52 HE ARG 52 -11.290 -8.028 6.829 890 1HH1 ARG 52 1HH1 ARG 52 -7.809 -8.030 7.350 891 2HH1 ARG 52 2HH1 ARG 52 -7.677 -9.761 7.242 892 1HH2 ARG 52 1HH2 ARG 52 -11.109 -10.293 6.704 893 2HH2 ARG 52 2HH2 ARG 52 -9.551 -11.049 6.877 894 H TYR 53 H TYR 53 -8.648 -4.496 2.358 895 HA TYR 53 HA TYR 53 -9.626 -5.904 -0.029 896 1HB TYR 53 1HB TYR 53 -7.886 -3.428 0.162 897 2HB TYR 53 2HB TYR 53 -8.173 -4.316 -1.335 898 HD1 TYR 53 HD1 TYR 53 -10.025 -2.536 1.390 899 HD2 TYR 53 HD2 TYR 53 -9.958 -3.752 -2.711 900 HE1 TYR 53 HE1 TYR 53 -12.041 -1.179 0.971 901 HE2 TYR 53 HE2 TYR 53 -11.981 -2.412 -3.132 902 HH TYR 53 HH TYR 53 -13.900 -1.520 -1.804 903 H ARG 54 H ARG 54 -7.657 -6.440 -1.507 904 HA ARG 54 HA ARG 54 -5.366 -7.337 0.109 905 1HB ARG 54 1HB ARG 54 -6.890 -9.064 -1.850 906 2HB ARG 54 2HB ARG 54 -5.401 -9.529 -1.041 907 1HG ARG 54 1HG ARG 54 -6.463 -9.704 1.049 908 2HG ARG 54 2HG ARG 54 -7.856 -8.759 0.529 909 1HD ARG 54 1HD ARG 54 -8.408 -11.131 0.704 910 2HD ARG 54 2HD ARG 54 -8.555 -10.556 -0.960 911 HE ARG 54 HE ARG 54 -6.055 -11.836 -0.194 912 1HH1 ARG 54 1HH1 ARG 54 -9.124 -12.049 -1.863 913 2HH1 ARG 54 2HH1 ARG 54 -8.688 -13.481 -2.738 914 1HH2 ARG 54 1HH2 ARG 54 -5.472 -13.710 -1.367 915 2HH2 ARG 54 2HH2 ARG 54 -6.633 -14.452 -2.431 916 H LEU 55 H LEU 55 -3.779 -6.172 -0.737 917 HA LEU 55 HA LEU 55 -3.526 -5.707 -3.600 918 1HB LEU 55 1HB LEU 55 -2.914 -3.969 -1.897 919 2HB LEU 55 2HB LEU 55 -1.622 -5.007 -1.340 920 HG LEU 55 HG LEU 55 -0.652 -4.837 -3.696 921 1HD1 LEU 55 1HD1 LEU 55 -1.363 -3.001 -5.100 922 2HD1 LEU 55 2HD1 LEU 55 -2.647 -2.608 -3.959 923 3HD1 LEU 55 3HD1 LEU 55 -2.697 -4.127 -4.835 924 1HD2 LEU 55 1HD2 LEU 55 0.334 -2.639 -3.318 925 2HD2 LEU 55 2HD2 LEU 55 0.272 -3.561 -1.817 926 3HD2 LEU 55 3HD2 LEU 55 -0.912 -2.279 -2.120 927 H ARG 56 H ARG 56 -2.605 -7.180 -4.910 928 HA ARG 56 HA ARG 56 -0.731 -9.126 -3.700 929 1HB ARG 56 1HB ARG 56 -2.901 -10.123 -4.315 930 2HB ARG 56 2HB ARG 56 -2.657 -9.614 -5.974 931 1HG ARG 56 1HG ARG 56 -0.628 -11.021 -6.101 932 2HG ARG 56 2HG ARG 56 -0.937 -11.564 -4.445 933 1HD ARG 56 1HD ARG 56 -2.738 -11.985 -6.852 934 2HD ARG 56 2HD ARG 56 -1.753 -13.212 -6.045 935 HE ARG 56 HE ARG 56 -3.196 -12.600 -4.027 936 1HH1 ARG 56 1HH1 ARG 56 -4.332 -12.628 -7.323 937 2HH1 ARG 56 2HH1 ARG 56 -5.971 -13.015 -6.917 938 1HH2 ARG 56 1HH2 ARG 56 -5.307 -13.054 -3.440 939 2HH2 ARG 56 2HH2 ARG 56 -6.531 -13.239 -4.666 940 H LEU 57 H LEU 57 1.112 -9.604 -4.787 941 HA LEU 57 HA LEU 57 1.701 -7.951 -7.179 942 1HB LEU 57 1HB LEU 57 3.076 -7.915 -4.888 943 2HB LEU 57 2HB LEU 57 3.844 -9.328 -5.593 944 HG LEU 57 HG LEU 57 3.767 -6.593 -6.896 945 1HD1 LEU 57 1HD1 LEU 57 5.979 -7.935 -5.350 946 2HD1 LEU 57 2HD1 LEU 57 5.070 -6.496 -4.877 947 3HD1 LEU 57 3HD1 LEU 57 6.135 -6.446 -6.281 948 1HD2 LEU 57 1HD2 LEU 57 5.483 -7.491 -8.363 949 2HD2 LEU 57 2HD2 LEU 57 3.992 -8.428 -8.497 950 3HD2 LEU 57 3HD2 LEU 57 5.361 -9.062 -7.578 951 H THR 58 H THR 58 2.069 -8.946 -9.027 952 HA THR 58 HA THR 58 1.784 -11.824 -9.203 953 HB THR 58 HB THR 58 2.031 -11.400 -11.708 954 HG1 THR 58 HG1 THR 58 1.677 -8.674 -11.068 955 1HG2 THR 58 1HG2 THR 58 -0.169 -11.587 -10.661 956 2HG2 THR 58 2HG2 THR 58 -0.203 -10.360 -11.921 957 3HG2 THR 58 3HG2 THR 58 -0.131 -9.868 -10.235 958 H SER 59 H SER 59 3.378 -12.798 -11.051 959 HA SER 59 HA SER 59 5.884 -12.945 -9.791 960 1HB SER 59 1HB SER 59 4.753 -14.762 -11.133 961 2HB SER 59 2HB SER 59 5.254 -13.895 -12.576 962 HG SER 59 HG SER 59 7.270 -14.492 -12.253 963 H GLN 60 H GLN 60 6.455 -10.690 -9.749 964 HA GLN 60 HA GLN 60 7.879 -9.023 -10.298 965 1HB GLN 60 1HB GLN 60 9.296 -10.865 -11.218 966 2HB GLN 60 2HB GLN 60 8.510 -10.661 -12.772 967 1HG GLN 60 1HG GLN 60 10.642 -9.606 -12.844 968 2HG GLN 60 2HG GLN 60 9.394 -8.358 -12.873 969 1HE2 GLN 60 2HE2 GLN 60 9.142 -7.005 -11.064 970 2HE2 GLN 60 1HE2 GLN 60 10.351 -6.878 -9.831 971 H ASN 61 H ASN 61 5.418 -9.971 -12.496 972 HA ASN 61 HA ASN 61 5.755 -8.091 -14.579 973 1HB ASN 61 1HB ASN 61 4.413 -10.059 -14.919 974 2HB ASN 61 2HB ASN 61 3.313 -9.597 -13.623 975 1HD2 ASN 61 2HD2 ASN 61 4.557 -7.322 -16.014 976 2HD2 ASN 61 1HD2 ASN 61 3.057 -7.107 -16.842 977 H LYS 62 H LYS 62 3.485 -7.996 -11.799 978 HA LYS 62 HA LYS 62 3.412 -5.129 -11.753 979 1HB LYS 62 1HB LYS 62 1.054 -4.885 -12.439 980 2HB LYS 62 2HB LYS 62 2.056 -5.471 -13.763 981 1HG LYS 62 1HG LYS 62 1.214 -7.729 -13.408 982 2HG LYS 62 2HG LYS 62 0.288 -7.193 -12.014 983 1HD LYS 62 1HD LYS 62 -1.046 -5.733 -13.478 984 2HD LYS 62 2HD LYS 62 -0.134 -6.300 -14.859 985 1HE LYS 62 1HE LYS 62 -0.948 -8.559 -14.513 986 2HE LYS 62 2HE LYS 62 -1.786 -8.054 -13.053 987 1HZ LYS 62 1HZ LYS 62 -3.294 -8.210 -14.925 988 2HZ LYS 62 2HZ LYS 62 -2.384 -7.100 -15.808 989 3HZ LYS 62 3HZ LYS 62 -3.189 -6.609 -14.420 990 H LEU 63 H LEU 63 1.209 -4.542 -10.449 991 HA LEU 63 HA LEU 63 0.538 -6.653 -8.563 992 1HB LEU 63 1HB LEU 63 0.579 -5.095 -6.648 993 2HB LEU 63 2HB LEU 63 2.168 -5.357 -7.327 994 HG LEU 63 HG LEU 63 0.532 -2.928 -8.019 995 1HD1 LEU 63 1HD1 LEU 63 1.679 -1.718 -6.286 996 2HD1 LEU 63 2HD1 LEU 63 2.565 -3.171 -5.796 997 3HD1 LEU 63 3HD1 LEU 63 0.817 -3.083 -5.578 998 1HD2 LEU 63 1HD2 LEU 63 2.404 -3.433 -9.494 999 2HD2 LEU 63 2HD2 LEU 63 3.491 -3.538 -8.105 1000 3HD2 LEU 63 3HD2 LEU 63 2.755 -1.995 -8.531 1001 H ILE 64 H ILE 64 -1.477 -6.109 -7.360 1002 HA ILE 64 HA ILE 64 -3.324 -4.383 -8.795 1003 HB ILE 64 HB ILE 64 -4.965 -6.288 -9.113 1004 1HG1 ILE 64 1HG1 ILE 64 -3.759 -8.533 -9.587 1005 2HG1 ILE 64 2HG1 ILE 64 -2.476 -7.921 -8.547 1006 1HG2 ILE 64 1HG2 ILE 64 -4.068 -6.924 -11.301 1007 2HG2 ILE 64 2HG2 ILE 64 -2.468 -6.347 -10.812 1008 3HG2 ILE 64 3HG2 ILE 64 -3.804 -5.201 -10.981 1009 1HD1 ILE 64 1HD1 ILE 64 -4.086 -7.721 -6.715 1010 2HD1 ILE 64 2HD1 ILE 64 -4.013 -9.372 -7.340 1011 3HD1 ILE 64 3HD1 ILE 64 -5.367 -8.334 -7.760 1012 H LEU 65 H LEU 65 -5.544 -4.498 -7.813 1013 HA LEU 65 HA LEU 65 -5.367 -5.045 -4.915 1014 1HB LEU 65 1HB LEU 65 -5.301 -2.596 -5.423 1015 2HB LEU 65 2HB LEU 65 -6.827 -2.764 -6.266 1016 HG LEU 65 HG LEU 65 -7.876 -3.480 -4.082 1017 1HD1 LEU 65 1HD1 LEU 65 -5.870 -4.232 -2.939 1018 2HD1 LEU 65 2HD1 LEU 65 -6.651 -2.951 -2.003 1019 3HD1 LEU 65 3HD1 LEU 65 -5.223 -2.595 -2.964 1020 1HD2 LEU 65 1HD2 LEU 65 -6.596 -0.740 -4.054 1021 2HD2 LEU 65 2HD2 LEU 65 -8.060 -1.231 -3.196 1022 3HD2 LEU 65 3HD2 LEU 65 -8.049 -1.160 -4.963 1023 H THR 66 H THR 66 -6.697 -6.722 -4.497 1024 HA THR 66 HA THR 66 -9.288 -6.812 -5.890 1025 HB THR 66 HB THR 66 -7.702 -8.351 -6.991 1026 HG1 THR 66 HG1 THR 66 -9.063 -10.199 -6.853 1027 1HG2 THR 66 1HG2 THR 66 -6.274 -8.887 -5.065 1028 2HG2 THR 66 2HG2 THR 66 -6.900 -10.358 -5.825 1029 3HG2 THR 66 3HG2 THR 66 -7.613 -9.766 -4.315 1030 H LYS 67 H LYS 67 -10.605 -8.623 -4.899 1031 HA LYS 67 HA LYS 67 -10.574 -8.411 -1.969 1032 1HB LYS 67 1HB LYS 67 -12.854 -8.462 -3.964 1033 2HB LYS 67 2HB LYS 67 -13.100 -8.758 -2.241 1034 1HG LYS 67 1HG LYS 67 -11.768 -6.241 -3.249 1035 2HG LYS 67 2HG LYS 67 -13.519 -6.373 -3.116 1036 1HD LYS 67 1HD LYS 67 -11.524 -6.700 -0.865 1037 2HD LYS 67 2HD LYS 67 -12.592 -5.309 -1.121 1038 1HE LYS 67 1HE LYS 67 -14.539 -6.884 -0.878 1039 2HE LYS 67 2HE LYS 67 -13.416 -8.172 -0.471 1040 1HZ LYS 67 1HZ LYS 67 -14.393 -7.144 1.494 1041 2HZ LYS 67 2HZ LYS 67 -13.722 -5.657 1.064 1042 3HZ LYS 67 3HZ LYS 67 -12.714 -6.944 1.458 Start of MODEL 15 1 1H MET 1 1H MET 1 27.235 72.398 10.112 2 2H MET 1 2H MET 1 25.624 71.910 10.178 3 3H MET 1 3H MET 1 25.990 73.521 9.890 4 HA MET 1 HA MET 1 25.287 72.384 7.876 5 1HB MET 1 1HB MET 1 27.220 73.013 6.467 6 2HB MET 1 2HB MET 1 26.861 74.245 7.669 7 1HG MET 1 1HG MET 1 28.716 73.494 9.045 8 2HG MET 1 2HG MET 1 29.045 72.188 7.921 9 1HE MET 1 1HE MET 1 31.597 73.060 7.963 10 2HE MET 1 2HE MET 1 31.164 74.431 8.961 11 3HE MET 1 3HE MET 1 32.066 74.684 7.463 12 H MET 2 H MET 2 26.866 70.418 9.925 13 HA MET 2 HA MET 2 28.090 68.622 8.018 14 1HB MET 2 1HB MET 2 27.593 68.196 10.972 15 2HB MET 2 2HB MET 2 28.640 67.234 9.937 16 1HG MET 2 1HG MET 2 29.989 68.711 11.282 17 2HG MET 2 2HG MET 2 30.086 69.196 9.587 18 1HE MET 2 1HE MET 2 31.002 71.063 12.034 19 2HE MET 2 2HE MET 2 30.344 72.612 11.490 20 3HE MET 2 3HE MET 2 31.099 71.523 10.339 21 H THR 3 H THR 3 26.231 68.207 6.740 22 HA THR 3 HA THR 3 23.922 66.912 7.915 23 HB THR 3 HB THR 3 24.631 67.234 4.972 24 HG1 THR 3 HG1 THR 3 23.903 69.065 6.867 25 1HG2 THR 3 1HG2 THR 3 22.830 65.578 5.463 26 2HG2 THR 3 2HG2 THR 3 22.250 66.995 4.577 27 3HG2 THR 3 3HG2 THR 3 21.933 66.852 6.314 28 H ALA 4 H ALA 4 24.295 64.890 8.673 29 HA ALA 4 HA ALA 4 26.047 63.040 7.223 30 1HB ALA 4 1HB ALA 4 24.551 62.694 9.833 31 2HB ALA 4 2HB ALA 4 26.225 63.213 9.665 32 3HB ALA 4 3HB ALA 4 25.755 61.591 9.161 33 H SER 5 H SER 5 25.119 62.041 5.521 34 HA SER 5 HA SER 5 22.318 61.369 5.479 35 1HB SER 5 1HB SER 5 23.040 60.253 3.260 36 2HB SER 5 2HB SER 5 23.220 62.001 3.392 37 HG SER 5 HG SER 5 25.166 61.429 2.681 38 H ASP 6 H ASP 6 21.784 59.793 6.909 39 HA ASP 6 HA ASP 6 23.607 57.606 7.432 40 1HB ASP 6 1HB ASP 6 22.418 58.655 9.315 41 2HB ASP 6 2HB ASP 6 20.868 58.185 8.611 42 H ARG 7 H ARG 7 23.552 55.703 6.450 43 HA ARG 7 HA ARG 7 21.311 55.022 4.720 44 1HB ARG 7 1HB ARG 7 24.101 53.901 5.048 45 2HB ARG 7 2HB ARG 7 22.875 53.027 4.168 46 1HG ARG 7 1HG ARG 7 24.331 54.286 2.679 47 2HG ARG 7 2HG ARG 7 22.667 54.830 2.573 48 1HD ARG 7 1HD ARG 7 23.133 56.793 3.857 49 2HD ARG 7 2HD ARG 7 24.756 56.221 4.263 50 HE ARG 7 HE ARG 7 25.383 56.593 1.976 51 1HH1 ARG 7 1HH1 ARG 7 22.322 58.006 2.925 52 2HH1 ARG 7 2HH1 ARG 7 22.300 59.161 1.630 53 1HH2 ARG 7 1HH2 ARG 7 25.395 58.150 0.322 54 2HH2 ARG 7 2HH2 ARG 7 24.059 59.246 0.165 55 H LEU 8 H LEU 8 19.677 54.255 5.959 56 HA LEU 8 HA LEU 8 20.264 51.980 7.714 57 1HB LEU 8 1HB LEU 8 18.055 52.585 8.850 58 2HB LEU 8 2HB LEU 8 19.430 53.629 9.162 59 HG LEU 8 HG LEU 8 18.484 55.177 7.354 60 1HD1 LEU 8 1HD1 LEU 8 16.043 55.029 6.958 61 2HD1 LEU 8 2HD1 LEU 8 16.060 53.433 7.725 62 3HD1 LEU 8 3HD1 LEU 8 16.962 53.695 6.243 63 1HD2 LEU 8 1HD2 LEU 8 16.856 54.733 9.863 64 2HD2 LEU 8 2HD2 LEU 8 16.911 56.214 8.899 65 3HD2 LEU 8 3HD2 LEU 8 18.356 55.662 9.756 66 H GLY 9 H GLY 9 18.436 50.389 7.902 67 1HA GLY 9 1HA GLY 9 16.292 50.030 6.312 68 2HA GLY 9 2HA GLY 9 17.621 49.679 5.202 69 H ALA 10 H ALA 10 15.576 48.426 7.550 70 HA ALA 10 HA ALA 10 17.228 46.218 8.381 71 1HB ALA 10 1HB ALA 10 15.189 45.360 9.426 72 2HB ALA 10 2HB ALA 10 14.246 46.621 8.627 73 3HB ALA 10 3HB ALA 10 15.442 47.055 9.843 74 H ASP 11 H ASP 11 17.049 44.057 7.719 75 HA ASP 11 HA ASP 11 15.537 43.597 5.229 76 1HB ASP 11 1HB ASP 11 17.954 44.001 4.719 77 2HB ASP 11 2HB ASP 11 18.367 42.616 5.737 78 HA PRO 12 HA PRO 12 14.588 40.284 8.274 79 1HB PRO 12 1HB PRO 12 11.922 40.225 7.901 80 2HB PRO 12 2HB PRO 12 12.697 41.501 8.833 81 1HG PRO 12 1HG PRO 12 11.718 41.560 5.990 82 2HG PRO 12 2HG PRO 12 11.555 42.802 7.262 83 1HD PRO 12 1HD PRO 12 13.473 42.836 5.269 84 2HD PRO 12 2HD PRO 12 13.640 43.666 6.828 85 H THR 13 H THR 13 15.369 38.434 7.405 86 HA THR 13 HA THR 13 14.398 37.368 4.921 87 HB THR 13 HB THR 13 16.102 35.975 7.020 88 HG1 THR 13 HG1 THR 13 16.774 37.636 4.815 89 1HG2 THR 13 1HG2 THR 13 16.835 34.580 5.120 90 2HG2 THR 13 2HG2 THR 13 15.695 35.424 4.068 91 3HG2 THR 13 3HG2 THR 13 15.094 34.428 5.400 92 H GLN 14 H GLN 14 12.214 37.091 5.184 93 HA GLN 14 HA GLN 14 11.234 35.445 7.411 94 1HB GLN 14 1HB GLN 14 9.696 37.082 5.390 95 2HB GLN 14 2HB GLN 14 9.010 36.235 6.773 96 1HG GLN 14 1HG GLN 14 10.193 37.674 8.304 97 2HG GLN 14 2HG GLN 14 11.048 38.460 6.971 98 1HE2 GLN 14 2HE2 GLN 14 9.358 39.645 9.017 99 2HE2 GLN 14 1HE2 GLN 14 8.079 40.452 8.172 100 H ALA 15 H ALA 15 11.638 33.372 6.871 101 HA ALA 15 HA ALA 15 10.000 32.112 4.897 102 1HB ALA 15 1HB ALA 15 12.991 32.141 4.378 103 2HB ALA 15 2HB ALA 15 11.748 32.917 3.384 104 3HB ALA 15 3HB ALA 15 11.813 31.156 3.514 105 H ALA 16 H ALA 16 9.533 30.124 5.679 106 HA ALA 16 HA ALA 16 11.411 28.851 7.589 107 1HB ALA 16 1HB ALA 16 8.401 29.020 7.896 108 2HB ALA 16 2HB ALA 16 9.588 29.967 8.807 109 3HB ALA 16 3HB ALA 16 9.511 28.196 8.989 110 H SER 17 H SER 17 10.513 26.524 8.066 111 HA SER 17 HA SER 17 9.534 25.264 5.592 112 1HB SER 17 1HB SER 17 11.934 24.316 7.227 113 2HB SER 17 2HB SER 17 11.248 23.510 5.814 114 HG SER 17 HG SER 17 11.658 25.940 5.035 115 H SER 18 H SER 18 8.389 23.350 5.904 116 HA SER 18 HA SER 18 7.477 22.914 8.682 117 1HB SER 18 1HB SER 18 5.958 22.466 6.098 118 2HB SER 18 2HB SER 18 5.326 22.246 7.735 119 HG SER 18 HG SER 18 5.666 24.491 8.073 120 HA PRO 19 HA PRO 19 9.173 18.762 8.247 121 1HB PRO 19 1HB PRO 19 7.376 18.248 10.566 122 2HB PRO 19 2HB PRO 19 9.112 17.956 10.408 123 1HG PRO 19 1HG PRO 19 8.215 19.973 11.889 124 2HG PRO 19 2HG PRO 19 9.652 20.165 10.883 125 1HD PRO 19 1HD PRO 19 6.845 21.113 10.373 126 2HD PRO 19 2HD PRO 19 8.390 21.962 10.105 127 H GLY 20 H GLY 20 8.393 17.552 6.664 128 1HA GLY 20 1HA GLY 20 6.045 15.993 6.903 129 2HA GLY 20 2HA GLY 20 5.711 17.383 5.879 130 H GLY 21 H GLY 21 8.453 15.131 6.285 131 1HA GLY 21 1HA GLY 21 8.531 14.826 3.332 132 2HA GLY 21 2HA GLY 21 9.886 14.551 4.419 133 H ALA 22 H ALA 22 10.174 12.579 5.330 134 HA ALA 22 HA ALA 22 8.611 10.402 4.210 135 1HB ALA 22 1HB ALA 22 10.378 8.952 5.059 136 2HB ALA 22 2HB ALA 22 11.135 10.334 5.854 137 3HB ALA 22 3HB ALA 22 11.036 10.272 4.094 138 H ARG 23 H ARG 23 7.467 8.917 5.402 139 HA ARG 23 HA ARG 23 7.296 9.275 8.307 140 1HB ARG 23 1HB ARG 23 4.854 8.943 8.210 141 2HB ARG 23 2HB ARG 23 5.367 10.412 7.423 142 1HG ARG 23 1HG ARG 23 5.209 9.148 5.223 143 2HG ARG 23 2HG ARG 23 4.434 7.850 6.134 144 1HD ARG 23 1HD ARG 23 2.728 9.518 6.912 145 2HD ARG 23 2HD ARG 23 3.465 10.712 5.872 146 HE ARG 23 HE ARG 23 1.976 8.308 4.977 147 1HH1 ARG 23 1HH1 ARG 23 3.511 11.364 4.158 148 2HH1 ARG 23 2HH1 ARG 23 2.602 11.563 2.695 149 1HH2 ARG 23 1HH2 ARG 23 0.761 8.625 3.045 150 2HH2 ARG 23 2HH2 ARG 23 1.040 10.054 2.097 151 H ALA 24 H ALA 24 6.744 7.350 9.467 152 HA ALA 24 HA ALA 24 7.279 4.907 7.912 153 1HB ALA 24 1HB ALA 24 8.140 3.943 9.949 154 2HB ALA 24 2HB ALA 24 7.675 5.370 10.879 155 3HB ALA 24 3HB ALA 24 8.944 5.489 9.649 156 H VAL 25 H VAL 25 5.750 3.421 7.770 157 HA VAL 25 HA VAL 25 3.517 3.443 9.699 158 HB VAL 25 HB VAL 25 2.039 2.631 7.897 159 1HG1 VAL 25 1HG1 VAL 25 2.071 5.008 8.400 160 2HG1 VAL 25 2HG1 VAL 25 1.827 4.764 6.662 161 3HG1 VAL 25 3HG1 VAL 25 3.409 5.247 7.264 162 1HG2 VAL 25 1HG2 VAL 25 4.421 3.120 6.099 163 2HG2 VAL 25 2HG2 VAL 25 2.767 2.797 5.542 164 3HG2 VAL 25 3HG2 VAL 25 3.636 1.567 6.441 165 H SER 26 H SER 26 2.744 1.357 10.280 166 HA SER 26 HA SER 26 4.714 -0.754 9.774 167 1HB SER 26 1HB SER 26 3.747 -1.771 11.900 168 2HB SER 26 2HB SER 26 4.574 -0.219 12.116 169 HG SER 26 HG SER 26 1.850 -0.113 11.583 170 H ILE 27 H ILE 27 4.072 -2.903 9.702 171 HA ILE 27 HA ILE 27 1.394 -3.434 8.584 172 HB ILE 27 HB ILE 27 4.071 -4.340 7.471 173 1HG1 ILE 27 1HG1 ILE 27 2.926 -3.765 5.276 174 2HG1 ILE 27 2HG1 ILE 27 1.599 -3.091 6.214 175 1HG2 ILE 27 1HG2 ILE 27 2.819 -6.374 7.796 176 2HG2 ILE 27 2HG2 ILE 27 2.943 -5.999 6.083 177 3HG2 ILE 27 3HG2 ILE 27 1.436 -5.699 6.932 178 1HD1 ILE 27 1HD1 ILE 27 3.157 -1.388 5.411 179 2HD1 ILE 27 2HD1 ILE 27 4.455 -2.164 6.328 180 3HD1 ILE 27 3HD1 ILE 27 3.088 -1.450 7.169 181 H VAL 28 H VAL 28 0.411 -5.133 9.549 182 HA VAL 28 HA VAL 28 1.973 -6.596 11.584 183 HB VAL 28 HB VAL 28 -0.288 -7.222 12.541 184 1HG1 VAL 28 1HG1 VAL 28 -0.627 -5.057 13.638 185 2HG1 VAL 28 2HG1 VAL 28 0.381 -4.278 12.425 186 3HG1 VAL 28 3HG1 VAL 28 1.085 -5.456 13.530 187 1HG2 VAL 28 1HG2 VAL 28 -1.702 -6.805 10.599 188 2HG2 VAL 28 2HG2 VAL 28 -1.252 -5.092 10.594 189 3HG2 VAL 28 3HG2 VAL 28 -2.205 -5.758 11.926 190 H GLY 29 H GLY 29 2.839 -8.268 10.509 191 1HA GLY 29 1HA GLY 29 2.885 -10.440 9.741 192 2HA GLY 29 2HA GLY 29 1.114 -10.462 9.758 193 H ASN 30 H ASN 30 0.046 -9.179 8.043 194 HA ASN 30 HA ASN 30 1.605 -8.248 5.821 195 1HB ASN 30 1HB ASN 30 0.683 -9.628 4.095 196 2HB ASN 30 2HB ASN 30 1.354 -10.708 5.306 197 1HD2 ASN 30 2HD2 ASN 30 -0.711 -11.116 3.283 198 2HD2 ASN 30 1HD2 ASN 30 -2.103 -11.706 4.123 199 H GLN 31 H GLN 31 -0.433 -7.404 7.866 200 HA GLN 31 HA GLN 31 -2.518 -6.385 6.037 201 1HB GLN 31 1HB GLN 31 -3.453 -7.779 7.793 202 2HB GLN 31 2HB GLN 31 -2.623 -6.845 9.024 203 1HG GLN 31 1HG GLN 31 -3.967 -4.864 8.425 204 2HG GLN 31 2HG GLN 31 -4.820 -5.837 7.228 205 1HE2 GLN 31 2HE2 GLN 31 -5.838 -4.445 9.624 206 2HE2 GLN 31 1HE2 GLN 31 -6.607 -5.661 10.588 207 H ILE 32 H ILE 32 -3.323 -4.201 6.529 208 HA ILE 32 HA ILE 32 -1.718 -2.365 8.046 209 HB ILE 32 HB ILE 32 -0.246 -2.613 6.057 210 1HG1 ILE 32 1HG1 ILE 32 -1.657 0.070 6.173 211 2HG1 ILE 32 2HG1 ILE 32 -0.327 -0.446 7.205 212 1HG2 ILE 32 1HG2 ILE 32 -0.982 -1.835 3.847 213 2HG2 ILE 32 2HG2 ILE 32 -2.628 -1.673 4.473 214 3HG2 ILE 32 3HG2 ILE 32 -1.878 -3.271 4.380 215 1HD1 ILE 32 1HD1 ILE 32 -0.168 -0.136 4.212 216 2HD1 ILE 32 2HD1 ILE 32 1.160 -0.555 5.304 217 3HD1 ILE 32 3HD1 ILE 32 0.401 1.030 5.399 218 H ASP 33 H ASP 33 -2.761 -0.301 8.184 219 HA ASP 33 HA ASP 33 -5.537 -0.360 7.265 220 1HB ASP 33 1HB ASP 33 -4.840 0.146 9.700 221 2HB ASP 33 2HB ASP 33 -4.326 1.713 9.109 222 H SER 34 H SER 34 -6.388 1.113 5.856 223 HA SER 34 HA SER 34 -4.667 2.323 3.977 224 1HB SER 34 1HB SER 34 -6.735 3.398 3.072 225 2HB SER 34 2HB SER 34 -6.917 1.661 3.347 226 HG SER 34 HG SER 34 -7.782 2.439 5.519 227 H ARG 35 H ARG 35 -5.938 3.424 6.959 228 HA ARG 35 HA ARG 35 -5.862 6.229 6.477 229 1HB ARG 35 1HB ARG 35 -6.033 4.541 8.965 230 2HB ARG 35 2HB ARG 35 -5.790 6.278 9.102 231 1HG ARG 35 1HG ARG 35 -8.109 4.898 7.740 232 2HG ARG 35 2HG ARG 35 -8.158 5.713 9.308 233 1HD ARG 35 1HD ARG 35 -7.726 6.972 6.599 234 2HD ARG 35 2HD ARG 35 -9.070 7.216 7.703 235 HE ARG 35 HE ARG 35 -6.809 7.967 9.082 236 1HH1 ARG 35 1HH1 ARG 35 -8.593 9.048 6.273 237 2HH1 ARG 35 2HH1 ARG 35 -7.973 10.660 6.357 238 1HH2 ARG 35 1HH2 ARG 35 -6.003 10.103 9.200 239 2HH2 ARG 35 2HH2 ARG 35 -6.543 11.270 8.027 240 H GLU 36 H GLU 36 -3.537 3.896 7.653 241 HA GLU 36 HA GLU 36 -1.583 5.641 8.613 242 1HB GLU 36 1HB GLU 36 -1.100 3.009 7.212 243 2HB GLU 36 2HB GLU 36 -0.024 3.796 8.362 244 1HG GLU 36 1HG GLU 36 -2.713 2.573 8.946 245 2HG GLU 36 2HG GLU 36 -1.141 1.965 9.429 246 H LEU 37 H LEU 37 -2.146 4.354 5.380 247 HA LEU 37 HA LEU 37 0.133 5.638 4.193 248 1HB LEU 37 1HB LEU 37 -2.350 4.492 2.892 249 2HB LEU 37 2HB LEU 37 -0.869 4.924 2.053 250 HG LEU 37 HG LEU 37 -1.073 2.761 4.171 251 1HD1 LEU 37 1HD1 LEU 37 -0.949 1.166 2.321 252 2HD1 LEU 37 2HD1 LEU 37 -0.935 2.488 1.163 253 3HD1 LEU 37 3HD1 LEU 37 -2.369 2.198 2.147 254 1HD2 LEU 37 1HD2 LEU 37 1.159 3.787 3.962 255 2HD2 LEU 37 2HD2 LEU 37 1.149 3.443 2.235 256 3HD2 LEU 37 3HD2 LEU 37 1.157 2.117 3.387 257 H PHE 38 H PHE 38 -3.348 6.293 4.166 258 HA PHE 38 HA PHE 38 -2.964 8.789 2.687 259 1HB PHE 38 1HB PHE 38 -5.544 7.462 3.603 260 2HB PHE 38 2HB PHE 38 -5.388 8.780 2.449 261 HD1 PHE 38 HD2 PHE 38 -3.726 8.199 0.424 262 HD2 PHE 38 HD1 PHE 38 -5.882 5.339 2.726 263 HE1 PHE 38 HE2 PHE 38 -3.571 6.577 -1.415 264 HE2 PHE 38 HE1 PHE 38 -5.721 3.719 0.885 265 HZ PHE 38 HZ PHE 38 -4.551 4.344 -1.187 266 H THR 39 H THR 39 -1.990 8.605 5.381 267 HA THR 39 HA THR 39 -3.694 9.688 7.316 268 HB THR 39 HB THR 39 -1.647 8.668 7.993 269 HG1 THR 39 HG1 THR 39 -2.457 10.879 8.973 270 1HG2 THR 39 1HG2 THR 39 0.550 9.614 7.528 271 2HG2 THR 39 2HG2 THR 39 -0.179 10.878 6.544 272 3HG2 THR 39 3HG2 THR 39 -0.275 9.196 6.021 273 H VAL 40 H VAL 40 -1.366 11.420 5.173 274 HA VAL 40 HA VAL 40 -2.643 13.937 5.977 275 HB VAL 40 HB VAL 40 -0.605 15.041 5.012 276 1HG1 VAL 40 1HG1 VAL 40 -0.173 13.057 7.255 277 2HG1 VAL 40 2HG1 VAL 40 -0.798 14.694 7.403 278 3HG1 VAL 40 3HG1 VAL 40 0.869 14.435 6.909 279 1HG2 VAL 40 1HG2 VAL 40 0.196 13.328 3.490 280 2HG2 VAL 40 2HG2 VAL 40 0.417 12.191 4.825 281 3HG2 VAL 40 3HG2 VAL 40 1.422 13.636 4.717 282 H ASP 41 H ASP 41 -1.284 12.379 3.073 283 HA ASP 41 HA ASP 41 -3.015 14.011 1.356 284 1HB ASP 41 1HB ASP 41 -1.838 12.783 -0.484 285 2HB ASP 41 2HB ASP 41 -0.744 13.654 0.579 286 H ARG 42 H ARG 42 -3.728 12.225 -0.613 287 HA ARG 42 HA ARG 42 -5.086 10.007 0.713 288 1HB ARG 42 1HB ARG 42 -6.586 12.010 0.637 289 2HB ARG 42 2HB ARG 42 -6.516 11.934 -1.121 290 1HG ARG 42 1HG ARG 42 -7.656 9.846 -1.155 291 2HG ARG 42 2HG ARG 42 -7.492 9.651 0.587 292 1HD ARG 42 1HD ARG 42 -9.108 11.805 -0.804 293 2HD ARG 42 2HD ARG 42 -9.764 10.358 -0.025 294 HE ARG 42 HE ARG 42 -8.300 12.473 1.440 295 1HH1 ARG 42 1HH1 ARG 42 -10.909 10.148 1.219 296 2HH1 ARG 42 2HH1 ARG 42 -11.588 10.574 2.758 297 1HH2 ARG 42 1HH2 ARG 42 -9.139 13.024 3.458 298 2HH2 ARG 42 2HH2 ARG 42 -10.562 12.203 4.043 299 H GLU 43 H GLU 43 -2.849 10.591 -1.283 300 HA GLU 43 HA GLU 43 -3.523 8.342 -3.011 301 1HB GLU 43 1HB GLU 43 -4.156 10.246 -4.399 302 2HB GLU 43 2HB GLU 43 -2.638 11.056 -4.076 303 1HG GLU 43 1HG GLU 43 -1.478 9.177 -5.251 304 2HG GLU 43 2HG GLU 43 -3.061 8.544 -5.682 305 H ILE 44 H ILE 44 -1.793 7.098 -3.409 306 HA ILE 44 HA ILE 44 0.843 7.972 -2.411 307 HB ILE 44 HB ILE 44 -0.481 5.273 -1.997 308 1HG1 ILE 44 1HG1 ILE 44 -1.285 7.026 -0.451 309 2HG1 ILE 44 2HG1 ILE 44 -0.376 5.774 0.394 310 1HG2 ILE 44 1HG2 ILE 44 1.915 5.015 -2.442 311 2HG2 ILE 44 2HG2 ILE 44 1.532 4.608 -0.777 312 3HG2 ILE 44 3HG2 ILE 44 2.280 6.158 -1.157 313 1HD1 ILE 44 1HD1 ILE 44 0.616 8.524 -0.363 314 2HD1 ILE 44 2HD1 ILE 44 1.588 7.283 0.434 315 3HD1 ILE 44 3HD1 ILE 44 0.172 7.969 1.260 316 H VAL 45 H VAL 45 2.630 7.206 -3.603 317 HA VAL 45 HA VAL 45 1.908 5.929 -6.174 318 HB VAL 45 HB VAL 45 4.452 7.448 -5.447 319 1HG1 VAL 45 1HG1 VAL 45 3.491 6.390 -8.096 320 2HG1 VAL 45 2HG1 VAL 45 4.858 5.794 -7.157 321 3HG1 VAL 45 3HG1 VAL 45 4.912 7.398 -7.843 322 1HG2 VAL 45 1HG2 VAL 45 2.480 8.935 -5.511 323 2HG2 VAL 45 2HG2 VAL 45 2.091 8.337 -7.116 324 3HG2 VAL 45 3HG2 VAL 45 3.576 9.249 -6.863 325 H ILE 46 H ILE 46 2.051 3.809 -5.852 326 HA ILE 46 HA ILE 46 4.254 2.570 -4.443 327 HB ILE 46 HB ILE 46 2.077 1.254 -6.083 328 1HG1 ILE 46 1HG1 ILE 46 2.178 1.795 -3.115 329 2HG1 ILE 46 2HG1 ILE 46 1.131 2.612 -4.264 330 1HG2 ILE 46 1HG2 ILE 46 3.982 -0.215 -5.728 331 2HG2 ILE 46 2HG2 ILE 46 2.595 -0.756 -4.784 332 3HG2 ILE 46 3HG2 ILE 46 3.906 0.090 -3.987 333 1HD1 ILE 46 1HD1 ILE 46 -0.088 0.941 -3.012 334 2HD1 ILE 46 2HD1 ILE 46 1.023 -0.320 -3.562 335 3HD1 ILE 46 3HD1 ILE 46 -0.012 0.514 -4.723 336 H ALA 47 H ALA 47 6.191 2.683 -5.469 337 HA ALA 47 HA ALA 47 6.339 2.450 -8.369 338 1HB ALA 47 1HB ALA 47 7.724 4.089 -7.163 339 2HB ALA 47 2HB ALA 47 8.712 2.940 -8.072 340 3HB ALA 47 3HB ALA 47 8.555 2.785 -6.320 341 H HIS 48 H HIS 48 7.235 0.743 -9.474 342 HA HIS 48 HA HIS 48 8.352 -1.525 -7.971 343 1HB HIS 48 1HB HIS 48 5.971 -2.020 -8.079 344 2HB HIS 48 2HB HIS 48 5.932 -1.706 -9.809 345 HD1 HIS 48 HD1 HIS 48 7.305 -4.225 -7.323 346 HD2 HIS 48 HD2 HIS 48 6.505 -3.847 -11.373 347 HE1 HIS 48 HE1 HIS 48 7.672 -6.515 -8.306 348 HE2 HIS 48 HE2 HIS 48 7.383 -6.194 -10.792 349 H GLY 49 H GLY 49 10.369 -1.255 -9.030 350 1HA GLY 49 1HA GLY 49 11.778 -2.016 -10.666 351 2HA GLY 49 2HA GLY 49 10.404 -2.418 -11.683 352 H ASP 50 H ASP 50 10.450 -1.275 -13.491 353 HA ASP 50 HA ASP 50 11.694 1.369 -13.559 354 1HB ASP 50 1HB ASP 50 10.516 -0.335 -15.782 355 2HB ASP 50 2HB ASP 50 11.322 1.211 -16.019 356 H ASP 51 H ASP 51 8.567 -0.067 -13.298 357 HA ASP 51 HA ASP 51 7.237 2.343 -14.321 358 1HB ASP 51 1HB ASP 51 6.506 0.077 -15.119 359 2HB ASP 51 2HB ASP 51 6.047 -0.311 -13.466 360 H ARG 52 H ARG 52 5.259 3.026 -13.062 361 HA ARG 52 HA ARG 52 5.572 2.754 -10.172 362 1HB ARG 52 1HB ARG 52 5.439 5.430 -11.572 363 2HB ARG 52 2HB ARG 52 5.228 5.212 -9.844 364 1HG ARG 52 1HG ARG 52 7.567 4.163 -9.880 365 2HG ARG 52 2HG ARG 52 7.719 4.865 -11.490 366 1HD ARG 52 1HD ARG 52 7.244 6.341 -8.916 367 2HD ARG 52 2HD ARG 52 8.679 6.407 -9.926 368 HE ARG 52 HE ARG 52 6.814 7.284 -11.620 369 1HH1 ARG 52 1HH1 ARG 52 7.459 8.165 -8.278 370 2HH1 ARG 52 2HH1 ARG 52 6.883 9.782 -8.472 371 1HH2 ARG 52 1HH2 ARG 52 6.044 9.384 -11.869 372 2HH2 ARG 52 2HH2 ARG 52 6.102 10.505 -10.531 373 H TYR 53 H TYR 53 3.707 2.745 -9.092 374 HA TYR 53 HA TYR 53 1.225 3.054 -10.700 375 1HB TYR 53 1HB TYR 53 1.809 1.154 -8.400 376 2HB TYR 53 2HB TYR 53 0.223 1.378 -9.144 377 HD1 TYR 53 HD2 TYR 53 3.662 0.126 -9.722 378 HD2 TYR 53 HD1 TYR 53 -0.315 0.320 -11.215 379 HE1 TYR 53 HE2 TYR 53 4.211 -1.610 -11.374 380 HE2 TYR 53 HE1 TYR 53 0.213 -1.405 -12.873 381 HH TYR 53 HH TYR 53 2.114 -2.378 -13.975 382 H ARG 54 H ARG 54 -0.707 3.480 -9.201 383 HA ARG 54 HA ARG 54 -0.006 5.201 -6.943 384 1HB ARG 54 1HB ARG 54 -1.647 5.996 -9.341 385 2HB ARG 54 2HB ARG 54 -1.730 6.853 -7.809 386 1HG ARG 54 1HG ARG 54 0.617 7.451 -7.980 387 2HG ARG 54 2HG ARG 54 0.760 6.504 -9.455 388 1HD ARG 54 1HD ARG 54 -0.689 7.945 -10.642 389 2HD ARG 54 2HD ARG 54 -1.138 8.835 -9.187 390 HE ARG 54 HE ARG 54 1.514 9.218 -9.281 391 1HH1 ARG 54 1HH1 ARG 54 -0.868 9.465 -11.835 392 2HH1 ARG 54 2HH1 ARG 54 -0.117 10.847 -12.570 393 1HH2 ARG 54 1HH2 ARG 54 2.493 11.040 -10.221 394 2HH2 ARG 54 2HH2 ARG 54 1.821 11.742 -11.666 395 H LEU 55 H LEU 55 -1.264 4.879 -5.278 396 HA LEU 55 HA LEU 55 -3.781 3.388 -5.592 397 1HB LEU 55 1HB LEU 55 -2.014 2.361 -4.160 398 2HB LEU 55 2HB LEU 55 -2.067 3.770 -3.127 399 HG LEU 55 HG LEU 55 -4.426 3.236 -2.571 400 1HD1 LEU 55 1HD1 LEU 55 -3.879 0.707 -4.146 401 2HD1 LEU 55 2HD1 LEU 55 -5.028 1.977 -4.566 402 3HD1 LEU 55 3HD1 LEU 55 -5.287 0.992 -3.124 403 1HD2 LEU 55 1HD2 LEU 55 -2.418 1.051 -2.010 404 2HD2 LEU 55 2HD2 LEU 55 -3.901 1.313 -1.109 405 3HD2 LEU 55 3HD2 LEU 55 -2.639 2.533 -1.079 406 H ARG 56 H ARG 56 -5.584 4.612 -5.369 407 HA ARG 56 HA ARG 56 -5.314 7.223 -4.026 408 1HB ARG 56 1HB ARG 56 -5.469 7.464 -6.481 409 2HB ARG 56 2HB ARG 56 -6.952 6.521 -6.495 410 1HG ARG 56 1HG ARG 56 -8.087 8.288 -5.253 411 2HG ARG 56 2HG ARG 56 -6.588 9.198 -5.146 412 1HD ARG 56 1HD ARG 56 -8.032 8.478 -7.697 413 2HD ARG 56 2HD ARG 56 -8.012 10.061 -6.946 414 HE ARG 56 HE ARG 56 -5.413 9.644 -7.255 415 1HH1 ARG 56 1HH1 ARG 56 -8.060 9.185 -9.540 416 2HH1 ARG 56 2HH1 ARG 56 -7.042 9.456 -10.936 417 1HH2 ARG 56 1HH2 ARG 56 -4.121 10.000 -9.075 418 2HH2 ARG 56 2HH2 ARG 56 -4.812 9.899 -10.666 419 H LEU 57 H LEU 57 -6.908 7.839 -2.658 420 HA LEU 57 HA LEU 57 -8.980 5.828 -2.063 421 1HB LEU 57 1HB LEU 57 -7.353 6.168 -0.260 422 2HB LEU 57 2HB LEU 57 -7.694 7.895 -0.266 423 HG LEU 57 HG LEU 57 -10.042 7.371 0.434 424 1HD1 LEU 57 1HD1 LEU 57 -8.985 4.577 0.814 425 2HD1 LEU 57 2HD1 LEU 57 -10.202 5.088 -0.352 426 3HD1 LEU 57 3HD1 LEU 57 -10.541 5.184 1.381 427 1HD2 LEU 57 1HD2 LEU 57 -8.416 8.089 2.041 428 2HD2 LEU 57 2HD2 LEU 57 -7.830 6.446 2.274 429 3HD2 LEU 57 3HD2 LEU 57 -9.461 6.886 2.767 430 H THR 58 H THR 58 -11.096 6.506 -1.786 431 HA THR 58 HA THR 58 -11.805 9.093 -2.911 432 HB THR 58 HB THR 58 -14.130 8.310 -2.684 433 HG1 THR 58 HG1 THR 58 -12.881 6.263 -1.191 434 1HG2 THR 58 1HG2 THR 58 -14.041 6.316 -4.122 435 2HG2 THR 58 2HG2 THR 58 -12.317 6.137 -3.750 436 3HG2 THR 58 3HG2 THR 58 -12.888 7.552 -4.662 437 H SER 59 H SER 59 -13.853 10.092 -1.604 438 HA SER 59 HA SER 59 -12.919 11.378 0.634 439 1HB SER 59 1HB SER 59 -15.796 10.650 0.019 440 2HB SER 59 2HB SER 59 -15.278 11.892 1.162 441 HG SER 59 HG SER 59 -14.776 13.188 -0.448 442 H GLN 60 H GLN 60 -14.756 8.316 0.515 443 HA GLN 60 HA GLN 60 -13.431 7.253 2.792 444 1HB GLN 60 1HB GLN 60 -14.997 8.903 3.911 445 2HB GLN 60 2HB GLN 60 -16.345 7.963 3.292 446 1HG GLN 60 1HG GLN 60 -15.954 7.370 5.587 447 2HG GLN 60 2HG GLN 60 -15.525 6.006 4.539 448 1HE2 GLN 60 2HE2 GLN 60 -14.187 5.073 6.077 449 2HE2 GLN 60 1HE2 GLN 60 -12.651 5.752 6.514 450 H ASN 61 H ASN 61 -15.620 7.041 0.196 451 HA ASN 61 HA ASN 61 -17.022 4.728 0.945 452 1HB ASN 61 1HB ASN 61 -17.775 4.557 -1.378 453 2HB ASN 61 2HB ASN 61 -17.948 6.182 -0.752 454 1HD2 ASN 61 2HD2 ASN 61 -16.337 4.138 -3.033 455 2HD2 ASN 61 1HD2 ASN 61 -15.607 5.415 -3.963 456 H LYS 62 H LYS 62 -14.465 4.903 -1.571 457 HA LYS 62 HA LYS 62 -13.402 2.360 -0.566 458 1HB LYS 62 1HB LYS 62 -13.525 1.202 -2.674 459 2HB LYS 62 2HB LYS 62 -15.147 1.813 -2.316 460 1HG LYS 62 1HG LYS 62 -14.816 3.679 -3.874 461 2HG LYS 62 2HG LYS 62 -13.152 3.123 -4.184 462 1HD LYS 62 1HD LYS 62 -14.062 1.004 -5.094 463 2HD LYS 62 2HD LYS 62 -15.692 1.616 -4.832 464 1HE LYS 62 1HE LYS 62 -15.281 3.449 -6.380 465 2HE LYS 62 2HE LYS 62 -13.624 2.892 -6.632 466 1HZ LYS 62 1HZ LYS 62 -16.104 1.437 -7.381 467 2HZ LYS 62 2HZ LYS 62 -14.540 0.801 -7.527 468 3HZ LYS 62 3HZ LYS 62 -14.995 2.157 -8.425 469 H LEU 63 H LEU 63 -11.555 1.728 -2.394 470 HA LEU 63 HA LEU 63 -10.141 4.169 -3.202 471 1HB LEU 63 1HB LEU 63 -7.994 3.309 -2.435 472 2HB LEU 63 2HB LEU 63 -9.091 3.537 -1.107 473 HG LEU 63 HG LEU 63 -8.591 0.842 -2.342 474 1HD1 LEU 63 1HD1 LEU 63 -6.475 1.750 -1.488 475 2HD1 LEU 63 2HD1 LEU 63 -7.040 0.423 -0.491 476 3HD1 LEU 63 3HD1 LEU 63 -7.234 2.083 0.059 477 1HD2 LEU 63 1HD2 LEU 63 -9.480 0.007 -0.253 478 2HD2 LEU 63 2HD2 LEU 63 -10.653 1.072 -1.014 479 3HD2 LEU 63 3HD2 LEU 63 -9.694 1.648 0.352 480 H ILE 64 H ILE 64 -8.382 3.573 -4.796 481 HA ILE 64 HA ILE 64 -8.945 1.148 -6.341 482 HB ILE 64 HB ILE 64 -9.176 2.504 -8.461 483 1HG1 ILE 64 1HG1 ILE 64 -10.283 4.855 -7.901 484 2HG1 ILE 64 2HG1 ILE 64 -9.309 4.717 -6.439 485 1HG2 ILE 64 1HG2 ILE 64 -11.581 2.917 -8.173 486 2HG2 ILE 64 2HG2 ILE 64 -11.380 2.746 -6.425 487 3HG2 ILE 64 3HG2 ILE 64 -11.067 1.377 -7.489 488 1HD1 ILE 64 1HD1 ILE 64 -8.249 4.638 -9.253 489 2HD1 ILE 64 2HD1 ILE 64 -7.288 4.532 -7.774 490 3HD1 ILE 64 3HD1 ILE 64 -8.183 6.001 -8.147 491 H LEU 65 H LEU 65 -7.501 1.032 -8.284 492 HA LEU 65 HA LEU 65 -4.829 2.068 -7.606 493 1HB LEU 65 1HB LEU 65 -5.055 -0.396 -7.795 494 2HB LEU 65 2HB LEU 65 -5.614 -0.213 -9.443 495 HG LEU 65 HG LEU 65 -3.423 0.738 -10.080 496 1HD1 LEU 65 1HD1 LEU 65 -2.578 0.037 -7.249 497 2HD1 LEU 65 2HD1 LEU 65 -2.744 1.670 -7.910 498 3HD1 LEU 65 3HD1 LEU 65 -1.518 0.567 -8.568 499 1HD2 LEU 65 1HD2 LEU 65 -3.304 -1.963 -8.737 500 2HD2 LEU 65 2HD2 LEU 65 -2.133 -1.363 -9.907 501 3HD2 LEU 65 3HD2 LEU 65 -3.808 -1.627 -10.384 502 H THR 66 H THR 66 -3.548 2.969 -9.375 503 HA THR 66 HA THR 66 -4.773 3.598 -11.859 504 HB THR 66 HB THR 66 -6.080 5.156 -10.492 505 HG1 THR 66 HG1 THR 66 -4.464 7.056 -11.663 506 1HG2 THR 66 1HG2 THR 66 -3.435 6.341 -9.674 507 2HG2 THR 66 2HG2 THR 66 -4.533 5.454 -8.625 508 3HG2 THR 66 3HG2 THR 66 -5.008 7.028 -9.293 509 H LYS 67 H LYS 67 -3.436 5.363 -12.986 510 HA LYS 67 HA LYS 67 -0.655 5.450 -12.134 511 1HB LYS 67 1HB LYS 67 -1.541 4.266 -14.776 512 2HB LYS 67 2HB LYS 67 0.113 4.740 -14.416 513 1HG LYS 67 1HG LYS 67 0.249 3.071 -12.656 514 2HG LYS 67 2HG LYS 67 -1.446 2.617 -12.924 515 1HD LYS 67 1HD LYS 67 0.160 1.064 -13.996 516 2HD LYS 67 2HD LYS 67 -0.924 1.834 -15.170 517 1HE LYS 67 1HE LYS 67 1.393 1.734 -15.978 518 2HE LYS 67 2HE LYS 67 0.830 3.396 -15.787 519 1HZ LYS 67 1HZ LYS 67 3.079 3.088 -14.924 520 2HZ LYS 67 2HZ LYS 67 2.530 1.921 -13.851 521 3HZ LYS 67 3HZ LYS 67 2.019 3.532 -13.679 522 1H MET 1 1H MET 1 20.948 -63.481 30.095 523 2H MET 1 2H MET 1 22.536 -62.923 30.124 524 3H MET 1 3H MET 1 22.021 -63.963 28.886 525 HA MET 1 HA MET 1 22.183 -61.721 28.064 526 1HB MET 1 1HB MET 1 19.311 -62.597 28.442 527 2HB MET 1 2HB MET 1 19.851 -61.423 27.262 528 1HG MET 1 1HG MET 1 21.210 -63.189 26.175 529 2HG MET 1 2HG MET 1 20.569 -64.351 27.349 530 1HE MET 1 1HE MET 1 19.673 -65.941 25.330 531 2HE MET 1 2HE MET 1 20.406 -64.767 24.222 532 3HE MET 1 3HE MET 1 18.741 -65.288 23.983 533 H MET 2 H MET 2 21.950 -59.553 28.362 534 HA MET 2 HA MET 2 20.776 -58.650 30.882 535 1HB MET 2 1HB MET 2 21.879 -56.515 30.437 536 2HB MET 2 2HB MET 2 23.032 -57.840 30.363 537 1HG MET 2 1HG MET 2 21.799 -56.452 27.970 538 2HG MET 2 2HG MET 2 23.415 -56.163 28.601 539 1HE MET 2 1HE MET 2 24.293 -59.112 29.416 540 2HE MET 2 2HE MET 2 25.380 -58.016 28.560 541 3HE MET 2 3HE MET 2 25.133 -59.649 27.960 542 H THR 3 H THR 3 18.800 -57.723 30.925 543 HA THR 3 HA THR 3 17.220 -57.591 28.554 544 HB THR 3 HB THR 3 16.565 -56.432 31.298 545 HG1 THR 3 HG1 THR 3 15.475 -58.876 30.490 546 1HG2 THR 3 1HG2 THR 3 14.229 -56.750 30.578 547 2HG2 THR 3 2HG2 THR 3 14.783 -57.335 29.009 548 3HG2 THR 3 3HG2 THR 3 15.071 -55.649 29.479 549 H ALA 4 H ALA 4 18.450 -56.180 27.245 550 HA ALA 4 HA ALA 4 18.839 -53.418 28.025 551 1HB ALA 4 1HB ALA 4 20.446 -54.548 26.546 552 2HB ALA 4 2HB ALA 4 19.751 -53.110 25.777 553 3HB ALA 4 3HB ALA 4 19.187 -54.718 25.333 554 H SER 5 H SER 5 16.763 -52.686 28.477 555 HA SER 5 HA SER 5 14.609 -52.992 26.653 556 1HB SER 5 1HB SER 5 14.361 -52.710 29.163 557 2HB SER 5 2HB SER 5 14.798 -51.016 28.944 558 HG SER 5 HG SER 5 12.954 -50.703 27.710 559 H ASP 6 H ASP 6 15.420 -52.188 24.679 560 HA ASP 6 HA ASP 6 16.670 -49.681 24.353 561 1HB ASP 6 1HB ASP 6 16.836 -51.494 22.708 562 2HB ASP 6 2HB ASP 6 15.134 -51.343 22.317 563 H ARG 7 H ARG 7 15.924 -47.682 24.084 564 HA ARG 7 HA ARG 7 13.238 -47.027 23.280 565 1HB ARG 7 1HB ARG 7 12.663 -45.869 25.418 566 2HB ARG 7 2HB ARG 7 12.711 -47.617 25.558 567 1HG ARG 7 1HG ARG 7 14.923 -47.470 26.604 568 2HG ARG 7 2HG ARG 7 14.884 -45.724 26.450 569 1HD ARG 7 1HD ARG 7 14.324 -46.456 28.713 570 2HD ARG 7 2HD ARG 7 12.976 -45.612 27.945 571 HE ARG 7 HE ARG 7 12.021 -47.864 27.505 572 1HH1 ARG 7 1HH1 ARG 7 14.381 -47.514 30.055 573 2HH1 ARG 7 2HH1 ARG 7 13.757 -48.832 30.981 574 1HH2 ARG 7 1HH2 ARG 7 11.147 -49.542 28.724 575 2HH2 ARG 7 2HH2 ARG 7 11.882 -49.978 30.251 576 H LEU 8 H LEU 8 13.066 -44.835 22.736 577 HA LEU 8 HA LEU 8 14.984 -42.884 23.552 578 1HB LEU 8 1HB LEU 8 16.135 -42.467 21.478 579 2HB LEU 8 2HB LEU 8 16.345 -44.157 21.902 580 HG LEU 8 HG LEU 8 14.339 -43.175 19.860 581 1HD1 LEU 8 1HD1 LEU 8 16.659 -42.695 19.178 582 2HD1 LEU 8 2HD1 LEU 8 15.880 -43.911 18.154 583 3HD1 LEU 8 3HD1 LEU 8 17.053 -44.397 19.385 584 1HD2 LEU 8 1HD2 LEU 8 15.379 -45.952 20.465 585 2HD2 LEU 8 2HD2 LEU 8 14.282 -45.533 19.148 586 3HD2 LEU 8 3HD2 LEU 8 13.763 -45.362 20.834 587 H GLY 9 H GLY 9 14.361 -40.809 23.078 588 1HA GLY 9 1HA GLY 9 11.650 -40.590 21.966 589 2HA GLY 9 2HA GLY 9 12.462 -39.390 22.965 590 H ALA 10 H ALA 10 11.498 -40.075 19.899 591 HA ALA 10 HA ALA 10 13.320 -38.054 18.771 592 1HB ALA 10 1HB ALA 10 12.331 -40.548 17.382 593 2HB ALA 10 2HB ALA 10 13.984 -40.256 17.908 594 3HB ALA 10 3HB ALA 10 13.278 -39.274 16.618 595 H ASP 11 H ASP 11 12.172 -36.338 18.337 596 HA ASP 11 HA ASP 11 9.516 -36.588 17.102 597 1HB ASP 11 1HB ASP 11 9.229 -36.243 19.566 598 2HB ASP 11 2HB ASP 11 10.132 -34.745 19.431 599 HA PRO 12 HA PRO 12 11.425 -33.723 14.258 600 1HB PRO 12 1HB PRO 12 9.084 -32.518 13.347 601 2HB PRO 12 2HB PRO 12 9.757 -34.019 12.722 602 1HG PRO 12 1HG PRO 12 7.588 -33.632 14.743 603 2HG PRO 12 2HG PRO 12 7.668 -34.795 13.402 604 1HD PRO 12 1HD PRO 12 8.194 -35.573 15.910 605 2HD PRO 12 2HD PRO 12 9.169 -36.182 14.558 606 H THR 13 H THR 13 8.641 -32.351 16.015 607 HA THR 13 HA THR 13 8.372 -30.548 17.344 608 HB THR 13 HB THR 13 11.376 -30.286 17.404 609 HG1 THR 13 HG1 THR 13 9.824 -32.310 18.268 610 1HG2 THR 13 1HG2 THR 13 10.239 -28.379 18.342 611 2HG2 THR 13 2HG2 THR 13 10.947 -29.332 19.636 612 3HG2 THR 13 3HG2 THR 13 9.219 -29.440 19.333 613 H GLN 14 H GLN 14 10.040 -30.310 14.373 614 HA GLN 14 HA GLN 14 10.368 -27.479 14.289 615 1HB GLN 14 1HB GLN 14 10.358 -29.532 12.070 616 2HB GLN 14 2HB GLN 14 10.755 -27.835 11.854 617 1HG GLN 14 1HG GLN 14 12.646 -28.064 13.373 618 2HG GLN 14 2HG GLN 14 12.257 -29.758 13.621 619 1HE2 GLN 14 2HE2 GLN 14 12.606 -31.225 11.911 620 2HE2 GLN 14 1HE2 GLN 14 13.643 -30.831 10.584 621 H ALA 15 H ALA 15 8.757 -26.094 14.262 622 HA ALA 15 HA ALA 15 6.634 -26.469 12.278 623 1HB ALA 15 1HB ALA 15 6.035 -25.740 15.164 624 2HB ALA 15 2HB ALA 15 5.701 -27.294 14.393 625 3HB ALA 15 3HB ALA 15 4.866 -25.843 13.835 626 H ALA 16 H ALA 16 7.530 -24.888 11.034 627 HA ALA 16 HA ALA 16 8.341 -22.336 11.978 628 1HB ALA 16 1HB ALA 16 8.349 -21.680 9.608 629 2HB ALA 16 2HB ALA 16 7.503 -23.179 9.195 630 3HB ALA 16 3HB ALA 16 9.146 -23.239 9.859 631 H SER 17 H SER 17 6.814 -21.303 13.170 632 HA SER 17 HA SER 17 4.051 -21.280 12.565 633 1HB SER 17 1HB SER 17 5.552 -19.436 14.434 634 2HB SER 17 2HB SER 17 3.828 -19.811 14.479 635 HG SER 17 HG SER 17 4.789 -22.126 14.648 636 H SER 18 H SER 18 6.605 -18.789 12.295 637 HA SER 18 HA SER 18 5.151 -17.526 10.133 638 1HB SER 18 1HB SER 18 5.672 -15.969 12.701 639 2HB SER 18 2HB SER 18 4.966 -15.329 11.218 640 HG SER 18 HG SER 18 3.409 -17.248 11.674 641 HA PRO 19 HA PRO 19 9.425 -16.549 9.154 642 1HB PRO 19 1HB PRO 19 9.002 -15.320 6.796 643 2HB PRO 19 2HB PRO 19 8.792 -17.060 6.973 644 1HG PRO 19 1HG PRO 19 6.728 -14.890 6.940 645 2HG PRO 19 2HG PRO 19 6.695 -16.480 6.153 646 1HD PRO 19 1HD PRO 19 5.428 -15.911 8.520 647 2HD PRO 19 2HD PRO 19 5.952 -17.531 8.073 648 H GLY 20 H GLY 20 7.138 -14.524 10.267 649 1HA GLY 20 1HA GLY 20 8.845 -12.491 11.084 650 2HA GLY 20 2HA GLY 20 8.038 -11.936 9.626 651 H GLY 21 H GLY 21 7.365 -10.347 11.455 652 1HA GLY 21 1HA GLY 21 4.630 -11.143 12.139 653 2HA GLY 21 2HA GLY 21 5.632 -10.474 13.400 654 H ALA 22 H ALA 22 5.729 -8.321 13.651 655 HA ALA 22 HA ALA 22 4.280 -6.674 11.708 656 1HB ALA 22 1HB ALA 22 4.361 -4.933 13.423 657 2HB ALA 22 2HB ALA 22 5.315 -5.988 14.473 658 3HB ALA 22 3HB ALA 22 3.652 -6.411 14.049 659 H ARG 23 H ARG 23 5.323 -5.134 10.460 660 HA ARG 23 HA ARG 23 8.165 -4.646 10.940 661 1HB ARG 23 1HB ARG 23 8.715 -4.950 8.599 662 2HB ARG 23 2HB ARG 23 7.995 -6.421 9.236 663 1HG ARG 23 1HG ARG 23 5.947 -6.000 8.095 664 2HG ARG 23 2HG ARG 23 6.437 -4.374 7.645 665 1HD ARG 23 1HD ARG 23 7.756 -6.920 6.697 666 2HD ARG 23 2HD ARG 23 6.603 -5.955 5.769 667 HE ARG 23 HE ARG 23 8.226 -4.251 5.556 668 1HH1 ARG 23 1HH1 ARG 23 9.488 -7.064 7.225 669 2HH1 ARG 23 2HH1 ARG 23 11.151 -6.630 6.943 670 1HH2 ARG 23 1HH2 ARG 23 10.428 -3.682 5.178 671 2HH2 ARG 23 2HH2 ARG 23 11.661 -4.736 5.795 672 H ALA 24 H ALA 24 8.950 -2.677 10.061 673 HA ALA 24 HA ALA 24 6.815 -0.696 9.614 674 1HB ALA 24 1HB ALA 24 8.427 0.975 10.434 675 2HB ALA 24 2HB ALA 24 9.613 -0.318 10.684 676 3HB ALA 24 3HB ALA 24 8.122 -0.289 11.629 677 H VAL 25 H VAL 25 6.742 0.345 7.744 678 HA VAL 25 HA VAL 25 9.069 0.313 5.935 679 HB VAL 25 HB VAL 25 7.528 0.202 4.006 680 1HG1 VAL 25 1HG1 VAL 25 7.142 -2.099 5.934 681 2HG1 VAL 25 2HG1 VAL 25 8.493 -1.911 4.815 682 3HG1 VAL 25 3HG1 VAL 25 6.867 -2.158 4.198 683 1HG2 VAL 25 1HG2 VAL 25 5.549 1.188 4.977 684 2HG2 VAL 25 2HG2 VAL 25 5.386 -0.161 6.112 685 3HG2 VAL 25 3HG2 VAL 25 5.153 -0.427 4.373 686 H SER 26 H SER 26 9.342 2.235 4.710 687 HA SER 26 HA SER 26 7.919 4.523 5.907 688 1HB SER 26 1HB SER 26 9.926 5.848 5.112 689 2HB SER 26 2HB SER 26 10.281 4.613 6.324 690 HG SER 26 HG SER 26 10.481 3.612 3.793 691 H ILE 27 H ILE 27 7.525 6.355 4.685 692 HA ILE 27 HA ILE 27 6.981 5.923 1.823 693 HB ILE 27 HB ILE 27 5.094 7.075 3.903 694 1HG1 ILE 27 1HG1 ILE 27 3.437 5.658 2.593 695 2HG1 ILE 27 2HG1 ILE 27 4.805 4.986 1.724 696 1HG2 ILE 27 1HG2 ILE 27 4.970 7.552 0.928 697 2HG2 ILE 27 2HG2 ILE 27 5.216 8.774 2.172 698 3HG2 ILE 27 3HG2 ILE 27 3.671 7.923 2.064 699 1HD1 ILE 27 1HD1 ILE 27 4.326 4.792 4.694 700 2HD1 ILE 27 2HD1 ILE 27 5.710 4.122 3.821 701 3HD1 ILE 27 3HD1 ILE 27 4.088 3.513 3.490 702 H VAL 28 H VAL 28 7.726 7.562 0.575 703 HA VAL 28 HA VAL 28 8.956 9.822 1.996 704 HB VAL 28 HB VAL 28 10.279 10.176 -0.165 705 1HG1 VAL 28 1HG1 VAL 28 10.640 7.555 1.314 706 2HG1 VAL 28 2HG1 VAL 28 11.232 9.133 1.819 707 3HG1 VAL 28 3HG1 VAL 28 11.875 8.376 0.365 708 1HG2 VAL 28 1HG2 VAL 28 8.819 8.909 -1.667 709 2HG2 VAL 28 2HG2 VAL 28 9.170 7.431 -0.781 710 3HG2 VAL 28 3HG2 VAL 28 10.449 8.236 -1.686 711 H GLY 29 H GLY 29 7.374 11.326 2.151 712 1HA GLY 29 1HA GLY 29 6.135 13.137 1.435 713 2HA GLY 29 2HA GLY 29 6.560 12.751 -0.232 714 H ASN 30 H ASN 30 5.494 10.821 -1.168 715 HA ASN 30 HA ASN 30 3.230 9.688 0.203 716 1HB ASN 30 1HB ASN 30 1.509 10.323 -1.312 717 2HB ASN 30 2HB ASN 30 2.325 11.808 -0.860 718 1HD2 ASN 30 2HD2 ASN 30 0.716 10.986 -3.215 719 2HD2 ASN 30 1HD2 ASN 30 1.679 11.352 -4.607 720 H GLN 31 H GLN 31 5.857 9.008 -1.148 721 HA GLN 31 HA GLN 31 4.841 7.070 -3.120 722 1HB GLN 31 1HB GLN 31 6.487 8.815 -3.977 723 2HB GLN 31 2HB GLN 31 7.685 8.109 -2.895 724 1HG GLN 31 1HG GLN 31 7.551 5.990 -4.068 725 2HG GLN 31 2HG GLN 31 6.299 6.622 -5.130 726 1HE2 GLN 31 2HE2 GLN 31 9.689 6.588 -4.412 727 2HE2 GLN 31 1HE2 GLN 31 10.214 7.389 -5.844 728 H ILE 32 H ILE 32 6.005 5.004 -3.199 729 HA ILE 32 HA ILE 32 7.463 4.079 -0.923 730 HB ILE 32 HB ILE 32 5.149 4.123 0.037 731 1HG1 ILE 32 1HG1 ILE 32 6.358 1.363 -0.368 732 2HG1 ILE 32 2HG1 ILE 32 6.757 2.498 0.911 733 1HG2 ILE 32 1HG2 ILE 32 4.539 2.066 -2.094 734 2HG2 ILE 32 2HG2 ILE 32 3.919 3.715 -2.051 735 3HG2 ILE 32 3HG2 ILE 32 3.449 2.577 -0.798 736 1HD1 ILE 32 1HD1 ILE 32 5.353 0.732 1.753 737 2HD1 ILE 32 2HD1 ILE 32 4.122 1.093 0.540 738 3HD1 ILE 32 3HD1 ILE 32 4.479 2.274 1.801 739 H ASP 33 H ASP 33 8.294 1.950 -1.294 740 HA ASP 33 HA ASP 33 8.090 1.109 -4.085 741 1HB ASP 33 1HB ASP 33 10.330 1.518 -2.942 742 2HB ASP 33 2HB ASP 33 10.013 0.069 -1.995 743 H SER 34 H SER 34 7.292 -0.824 -4.721 744 HA SER 34 HA SER 34 5.380 -2.108 -3.073 745 1HB SER 34 1HB SER 34 5.312 -3.813 -4.927 746 2HB SER 34 2HB SER 34 5.170 -2.146 -5.505 747 HG SER 34 HG SER 34 7.674 -2.489 -5.593 748 H ARG 35 H ARG 35 8.748 -2.592 -3.454 749 HA ARG 35 HA ARG 35 8.953 -5.329 -2.698 750 1HB ARG 35 1HB ARG 35 10.972 -3.109 -2.671 751 2HB ARG 35 2HB ARG 35 11.335 -4.802 -2.314 752 1HG ARG 35 1HG ARG 35 10.612 -5.458 -4.538 753 2HG ARG 35 2HG ARG 35 10.158 -3.775 -4.895 754 1HD ARG 35 1HD ARG 35 12.904 -4.752 -4.174 755 2HD ARG 35 2HD ARG 35 12.348 -4.372 -5.803 756 HE ARG 35 HE ARG 35 11.848 -2.061 -4.723 757 1HH1 ARG 35 1HH1 ARG 35 14.655 -4.082 -4.184 758 2HH1 ARG 35 2HH1 ARG 35 15.653 -2.756 -3.679 759 1HH2 ARG 35 1HH2 ARG 35 13.155 -0.311 -4.050 760 2HH2 ARG 35 2HH2 ARG 35 14.795 -0.610 -3.598 761 H GLU 36 H GLU 36 8.932 -2.277 -0.943 762 HA GLU 36 HA GLU 36 9.761 -3.224 1.552 763 1HB GLU 36 1HB GLU 36 7.747 -1.014 1.038 764 2HB GLU 36 2HB GLU 36 8.778 -1.195 2.455 765 1HG GLU 36 1HG GLU 36 9.705 -0.604 -0.365 766 2HG GLU 36 2HG GLU 36 9.631 0.530 0.976 767 H LEU 37 H LEU 37 6.540 -3.031 0.124 768 HA LEU 37 HA LEU 37 5.197 -4.035 2.418 769 1HB LEU 37 1HB LEU 37 4.313 -3.853 -0.480 770 2HB LEU 37 2HB LEU 37 3.253 -4.270 0.857 771 HG LEU 37 HG LEU 37 4.669 -1.615 0.471 772 1HD1 LEU 37 1HD1 LEU 37 2.422 -0.714 0.127 773 2HD1 LEU 37 2HD1 LEU 37 1.739 -2.332 0.271 774 3HD1 LEU 37 3HD1 LEU 37 2.815 -1.938 -1.070 775 1HD2 LEU 37 1HD2 LEU 37 4.495 -2.074 2.845 776 2HD2 LEU 37 2HD2 LEU 37 2.797 -2.536 2.657 777 3HD2 LEU 37 3HD2 LEU 37 3.287 -0.858 2.409 778 H PHE 38 H PHE 38 6.157 -5.441 -0.691 779 HA PHE 38 HA PHE 38 5.192 -8.089 0.107 780 1HB PHE 38 1HB PHE 38 6.407 -7.150 -2.503 781 2HB PHE 38 2HB PHE 38 5.614 -8.695 -2.210 782 HD1 PHE 38 HD1 PHE 38 3.142 -8.356 -1.098 783 HD2 PHE 38 HD2 PHE 38 5.141 -5.610 -3.661 784 HE1 PHE 38 HE1 PHE 38 0.987 -7.383 -1.729 785 HE2 PHE 38 HE2 PHE 38 2.966 -4.617 -4.268 786 HZ PHE 38 HZ PHE 38 0.893 -5.511 -3.300 787 H THR 39 H THR 39 7.482 -6.975 1.455 788 HA THR 39 HA THR 39 9.958 -7.823 0.469 789 HB THR 39 HB THR 39 9.844 -6.219 2.272 790 HG1 THR 39 HG1 THR 39 11.662 -7.759 2.139 791 1HG2 THR 39 1HG2 THR 39 9.208 -6.891 4.565 792 2HG2 THR 39 2HG2 THR 39 8.700 -8.463 3.944 793 3HG2 THR 39 3HG2 THR 39 7.857 -6.999 3.441 794 H VAL 40 H VAL 40 7.758 -9.491 2.749 795 HA VAL 40 HA VAL 40 9.422 -11.914 2.443 796 HB VAL 40 HB VAL 40 7.420 -11.227 4.628 797 1HG1 VAL 40 1HG1 VAL 40 9.191 -13.656 4.346 798 2HG1 VAL 40 2HG1 VAL 40 7.429 -13.622 4.235 799 3HG1 VAL 40 3HG1 VAL 40 8.224 -13.265 5.769 800 1HG2 VAL 40 1HG2 VAL 40 10.440 -11.363 4.708 801 2HG2 VAL 40 2HG2 VAL 40 9.389 -11.097 6.094 802 3HG2 VAL 40 3HG2 VAL 40 9.456 -9.896 4.793 803 H ASP 41 H ASP 41 5.984 -10.991 2.807 804 HA ASP 41 HA ASP 41 5.163 -13.359 1.323 805 1HB ASP 41 1HB ASP 41 3.948 -12.377 3.378 806 2HB ASP 41 2HB ASP 41 3.339 -11.141 2.276 807 H ARG 42 H ARG 42 3.070 -12.462 -0.240 808 HA ARG 42 HA ARG 42 4.141 -10.280 -1.866 809 1HB ARG 42 1HB ARG 42 4.728 -12.733 -2.684 810 2HB ARG 42 2HB ARG 42 3.059 -12.715 -3.241 811 1HG ARG 42 1HG ARG 42 3.480 -10.793 -4.639 812 2HG ARG 42 2HG ARG 42 5.123 -10.666 -4.024 813 1HD ARG 42 1HD ARG 42 5.203 -11.700 -6.178 814 2HD ARG 42 2HD ARG 42 5.581 -12.932 -4.977 815 HE ARG 42 HE ARG 42 2.796 -12.867 -5.678 816 1HH1 ARG 42 1HH1 ARG 42 5.926 -14.119 -6.597 817 2HH1 ARG 42 2HH1 ARG 42 5.277 -15.424 -7.529 818 1HH2 ARG 42 1HH2 ARG 42 1.935 -14.547 -6.924 819 2HH2 ARG 42 2HH2 ARG 42 2.994 -15.661 -7.728 820 H GLU 43 H GLU 43 1.852 -10.892 0.037 821 HA GLU 43 HA GLU 43 -0.127 -9.438 -1.519 822 1HB GLU 43 1HB GLU 43 -0.712 -11.878 -1.709 823 2HB GLU 43 2HB GLU 43 -0.916 -11.912 0.033 824 1HG GLU 43 1HG GLU 43 -2.707 -10.230 -0.140 825 2HG GLU 43 2HG GLU 43 -2.516 -10.229 -1.908 826 H ILE 44 H ILE 44 -1.195 -7.972 -0.319 827 HA ILE 44 HA ILE 44 -0.689 -7.910 2.593 828 HB ILE 44 HB ILE 44 -0.651 -5.541 0.700 829 1HG1 ILE 44 1HG1 ILE 44 1.361 -6.947 0.513 830 2HG1 ILE 44 2HG1 ILE 44 1.741 -5.368 1.202 831 1HG2 ILE 44 1HG2 ILE 44 -0.109 -5.654 3.674 832 2HG2 ILE 44 2HG2 ILE 44 -1.542 -4.969 2.915 833 3HG2 ILE 44 3HG2 ILE 44 0.025 -4.220 2.641 834 1HD1 ILE 44 1HD1 ILE 44 2.957 -7.120 2.344 835 2HD1 ILE 44 2HD1 ILE 44 1.454 -7.974 2.701 836 3HD1 ILE 44 3HD1 ILE 44 1.781 -6.402 3.437 837 H VAL 45 H VAL 45 -2.424 -7.150 3.859 838 HA VAL 45 HA VAL 45 -4.959 -6.823 2.408 839 HB VAL 45 HB VAL 45 -4.542 -7.464 5.337 840 1HG1 VAL 45 1HG1 VAL 45 -6.653 -6.316 4.928 841 2HG1 VAL 45 2HG1 VAL 45 -6.948 -8.007 5.328 842 3HG1 VAL 45 3HG1 VAL 45 -7.056 -7.444 3.661 843 1HG2 VAL 45 1HG2 VAL 45 -5.314 -9.282 3.062 844 2HG2 VAL 45 2HG2 VAL 45 -5.270 -9.726 4.782 845 3HG2 VAL 45 3HG2 VAL 45 -3.781 -9.301 3.921 846 H ILE 46 H ILE 46 -5.192 -4.717 1.991 847 HA ILE 46 HA ILE 46 -4.625 -2.686 3.966 848 HB ILE 46 HB ILE 46 -5.963 -2.397 1.259 849 1HG1 ILE 46 1HG1 ILE 46 -3.053 -2.008 1.969 850 2HG1 ILE 46 2HG1 ILE 46 -3.687 -3.408 1.121 851 1HG2 ILE 46 1HG2 ILE 46 -4.638 -0.334 3.023 852 2HG2 ILE 46 2HG2 ILE 46 -6.376 -0.496 2.762 853 3HG2 ILE 46 3HG2 ILE 46 -5.318 -0.054 1.420 854 1HD1 ILE 46 1HD1 ILE 46 -2.645 -1.783 -0.397 855 2HD1 ILE 46 2HD1 ILE 46 -3.818 -0.570 0.125 856 3HD1 ILE 46 3HD1 ILE 46 -4.372 -1.999 -0.742 857 H ALA 47 H ALA 47 -6.056 -2.624 5.646 858 HA ALA 47 HA ALA 47 -8.869 -3.196 5.220 859 1HB ALA 47 1HB ALA 47 -9.064 -3.020 7.655 860 2HB ALA 47 2HB ALA 47 -7.386 -2.452 7.753 861 3HB ALA 47 3HB ALA 47 -7.737 -4.094 7.208 862 H HIS 48 H HIS 48 -10.512 -1.711 5.388 863 HA HIS 48 HA HIS 48 -9.904 1.073 6.070 864 1HB HIS 48 1HB HIS 48 -9.532 0.983 3.638 865 2HB HIS 48 2HB HIS 48 -11.099 0.244 3.429 866 HD1 HIS 48 HD1 HIS 48 -9.691 3.509 4.793 867 HD2 HIS 48 HD2 HIS 48 -13.076 1.987 2.905 868 HE1 HIS 48 HE1 HIS 48 -11.195 5.491 4.395 869 HE2 HIS 48 HE2 HIS 48 -13.296 4.515 3.422 870 H GLY 49 H GLY 49 -11.319 0.984 7.861 871 1HA GLY 49 1HA GLY 49 -13.377 1.556 8.694 872 2HA GLY 49 2HA GLY 49 -14.090 1.301 7.091 873 H ASP 50 H ASP 50 -15.565 -0.229 7.177 874 HA ASP 50 HA ASP 50 -15.295 -2.428 9.088 875 1HB ASP 50 1HB ASP 50 -17.496 -1.317 8.772 876 2HB ASP 50 2HB ASP 50 -17.497 -1.827 7.085 877 H ASP 51 H ASP 51 -14.625 -1.720 5.783 878 HA ASP 51 HA ASP 51 -14.749 -4.558 4.974 879 1HB ASP 51 1HB ASP 51 -15.813 -2.736 3.584 880 2HB ASP 51 2HB ASP 51 -14.195 -2.101 3.291 881 H ARG 52 H ARG 52 -12.918 -5.299 3.548 882 HA ARG 52 HA ARG 52 -10.315 -4.172 4.298 883 1HB ARG 52 1HB ARG 52 -10.949 -7.122 4.535 884 2HB ARG 52 2HB ARG 52 -9.397 -6.369 4.862 885 1HG ARG 52 1HG ARG 52 -10.323 -5.194 6.756 886 2HG ARG 52 2HG ARG 52 -11.926 -5.866 6.425 887 1HD ARG 52 1HD ARG 52 -11.006 -7.200 8.166 888 2HD ARG 52 2HD ARG 52 -10.873 -8.160 6.695 889 HE ARG 52 HE ARG 52 -8.580 -6.615 7.721 890 1HH1 ARG 52 1HH1 ARG 52 -9.991 -9.626 6.612 891 2HH1 ARG 52 2HH1 ARG 52 -8.540 -10.555 6.839 892 1HH2 ARG 52 1HH2 ARG 52 -6.642 -7.853 8.027 893 2HH2 ARG 52 2HH2 ARG 52 -6.640 -9.548 7.655 894 H TYR 53 H TYR 53 -8.869 -4.286 2.692 895 HA TYR 53 HA TYR 53 -9.697 -5.570 0.175 896 1HB TYR 53 1HB TYR 53 -8.118 -3.007 0.568 897 2HB TYR 53 2HB TYR 53 -8.405 -3.790 -0.987 898 HD1 TYR 53 HD1 TYR 53 -10.095 -2.080 1.842 899 HD2 TYR 53 HD2 TYR 53 -10.425 -3.441 -2.190 900 HE1 TYR 53 HE1 TYR 53 -12.201 -0.841 1.581 901 HE2 TYR 53 HE2 TYR 53 -12.526 -2.212 -2.426 902 HH TYR 53 HH TYR 53 -14.321 -1.322 -1.025 903 H ARG 54 H ARG 54 -7.767 -5.958 -1.280 904 HA ARG 54 HA ARG 54 -5.396 -6.791 0.247 905 1HB ARG 54 1HB ARG 54 -6.991 -8.607 -1.587 906 2HB ARG 54 2HB ARG 54 -5.412 -8.989 -0.905 907 1HG ARG 54 1HG ARG 54 -6.253 -9.181 1.270 908 2HG ARG 54 2HG ARG 54 -7.745 -8.337 0.851 909 1HD ARG 54 1HD ARG 54 -8.165 -10.728 1.111 910 2HD ARG 54 2HD ARG 54 -8.413 -10.245 -0.568 911 HE ARG 54 HE ARG 54 -5.752 -11.204 -0.207 912 1HH1 ARG 54 1HH1 ARG 54 -9.091 -12.293 -0.408 913 2HH1 ARG 54 2HH1 ARG 54 -8.655 -13.881 -0.999 914 1HH2 ARG 54 1HH2 ARG 54 -5.194 -13.285 -1.025 915 2HH2 ARG 54 2HH2 ARG 54 -6.466 -14.426 -1.350 916 H LEU 55 H LEU 55 -3.609 -6.323 -0.744 917 HA LEU 55 HA LEU 55 -3.624 -5.577 -3.584 918 1HB LEU 55 1HB LEU 55 -2.926 -3.827 -1.925 919 2HB LEU 55 2HB LEU 55 -1.603 -4.863 -1.450 920 HG LEU 55 HG LEU 55 -0.690 -4.703 -3.750 921 1HD1 LEU 55 1HD1 LEU 55 -1.591 -2.974 -5.274 922 2HD1 LEU 55 2HD1 LEU 55 -2.943 -2.742 -4.166 923 3HD1 LEU 55 3HD1 LEU 55 -2.747 -4.288 -4.982 924 1HD2 LEU 55 1HD2 LEU 55 0.061 -2.371 -3.591 925 2HD2 LEU 55 2HD2 LEU 55 0.147 -3.216 -2.052 926 3HD2 LEU 55 3HD2 LEU 55 -1.164 -2.061 -2.357 927 H ARG 56 H ARG 56 -2.734 -7.050 -4.905 928 HA ARG 56 HA ARG 56 -0.924 -9.059 -3.703 929 1HB ARG 56 1HB ARG 56 -3.073 -10.073 -4.158 930 2HB ARG 56 2HB ARG 56 -3.066 -9.459 -5.798 931 1HG ARG 56 1HG ARG 56 -1.392 -10.951 -6.486 932 2HG ARG 56 2HG ARG 56 -0.908 -11.296 -4.824 933 1HD ARG 56 1HD ARG 56 -2.149 -13.156 -5.889 934 2HD ARG 56 2HD ARG 56 -2.924 -12.530 -4.445 935 HE ARG 56 HE ARG 56 -3.811 -11.815 -7.169 936 1HH1 ARG 56 1HH1 ARG 56 -4.484 -12.653 -3.834 937 2HH1 ARG 56 2HH1 ARG 56 -6.192 -12.858 -4.106 938 1HH2 ARG 56 1HH2 ARG 56 -6.066 -11.984 -7.513 939 2HH2 ARG 56 2HH2 ARG 56 -7.094 -12.456 -6.193 940 H LEU 57 H LEU 57 0.889 -9.613 -4.805 941 HA LEU 57 HA LEU 57 1.506 -8.048 -7.232 942 1HB LEU 57 1HB LEU 57 2.914 -7.479 -5.279 943 2HB LEU 57 2HB LEU 57 3.367 -9.168 -5.111 944 HG LEU 57 HG LEU 57 4.411 -8.966 -7.423 945 1HD1 LEU 57 1HD1 LEU 57 3.238 -7.014 -8.210 946 2HD1 LEU 57 2HD1 LEU 57 4.981 -6.745 -8.199 947 3HD1 LEU 57 3HD1 LEU 57 3.985 -6.038 -6.949 948 1HD2 LEU 57 1HD2 LEU 57 6.436 -7.798 -6.582 949 2HD2 LEU 57 2HD2 LEU 57 5.816 -9.024 -5.471 950 3HD2 LEU 57 3HD2 LEU 57 5.508 -7.322 -5.154 951 H THR 58 H THR 58 2.390 -9.084 -8.967 952 HA THR 58 HA THR 58 2.109 -11.957 -9.111 953 HB THR 58 HB THR 58 2.702 -11.707 -11.482 954 HG1 THR 58 HG1 THR 58 3.359 -9.079 -10.655 955 1HG2 THR 58 1HG2 THR 58 0.369 -11.315 -10.846 956 2HG2 THR 58 2HG2 THR 58 0.833 -10.278 -12.201 957 3HG2 THR 58 3HG2 THR 58 0.723 -9.609 -10.568 958 H SER 59 H SER 59 4.086 -12.940 -10.565 959 HA SER 59 HA SER 59 6.237 -13.340 -8.891 960 1HB SER 59 1HB SER 59 6.269 -13.468 -11.930 961 2HB SER 59 2HB SER 59 7.377 -14.298 -10.846 962 HG SER 59 HG SER 59 5.855 -15.697 -10.281 963 H GLN 60 H GLN 60 5.870 -10.964 -11.525 964 HA GLN 60 HA GLN 60 7.441 -9.037 -10.191 965 1HB GLN 60 1HB GLN 60 9.412 -8.910 -11.540 966 2HB GLN 60 2HB GLN 60 9.281 -10.561 -10.948 967 1HG GLN 60 1HG GLN 60 8.442 -9.678 -13.692 968 2HG GLN 60 2HG GLN 60 10.008 -10.381 -13.317 969 1HE2 GLN 60 2HE2 GLN 60 10.117 -12.573 -12.792 970 2HE2 GLN 60 1HE2 GLN 60 8.834 -13.672 -13.153 971 H ASN 61 H ASN 61 5.482 -10.032 -12.749 972 HA ASN 61 HA ASN 61 6.013 -8.021 -14.652 973 1HB ASN 61 1HB ASN 61 4.887 -10.115 -15.239 974 2HB ASN 61 2HB ASN 61 3.488 -9.641 -14.275 975 1HD2 ASN 61 2HD2 ASN 61 5.288 -9.113 -17.195 976 2HD2 ASN 61 1HD2 ASN 61 4.066 -8.171 -18.004 977 H LYS 62 H LYS 62 3.074 -8.290 -12.595 978 HA LYS 62 HA LYS 62 3.198 -5.407 -12.089 979 1HB LYS 62 1HB LYS 62 0.868 -5.040 -12.801 980 2HB LYS 62 2HB LYS 62 1.864 -5.567 -14.156 981 1HG LYS 62 1HG LYS 62 0.965 -7.848 -13.913 982 2HG LYS 62 2HG LYS 62 -0.029 -7.314 -12.560 983 1HD LYS 62 1HD LYS 62 -1.209 -5.748 -14.032 984 2HD LYS 62 2HD LYS 62 -0.204 -6.252 -15.382 985 1HE LYS 62 1HE LYS 62 -1.105 -8.546 -15.138 986 2HE LYS 62 2HE LYS 62 -2.151 -7.973 -13.846 987 1HZ LYS 62 1HZ LYS 62 -3.294 -8.111 -15.972 988 2HZ LYS 62 2HZ LYS 62 -2.194 -7.021 -16.650 989 3HZ LYS 62 3HZ LYS 62 -3.231 -6.509 -15.418 990 H LEU 63 H LEU 63 0.884 -4.902 -10.835 991 HA LEU 63 HA LEU 63 0.299 -7.081 -8.967 992 1HB LEU 63 1HB LEU 63 0.433 -5.716 -7.040 993 2HB LEU 63 2HB LEU 63 1.960 -5.563 -7.878 994 HG LEU 63 HG LEU 63 -0.256 -3.513 -7.978 995 1HD1 LEU 63 1HD1 LEU 63 1.101 -2.192 -6.431 996 2HD1 LEU 63 2HD1 LEU 63 2.322 -3.455 -6.384 997 3HD1 LEU 63 3HD1 LEU 63 0.716 -3.750 -5.712 998 1HD2 LEU 63 1HD2 LEU 63 1.539 -2.029 -8.852 999 2HD2 LEU 63 2HD2 LEU 63 1.101 -3.356 -9.919 1000 3HD2 LEU 63 3HD2 LEU 63 2.585 -3.452 -8.972 1001 H ILE 64 H ILE 64 -1.739 -6.576 -7.743 1002 HA ILE 64 HA ILE 64 -3.580 -4.881 -9.236 1003 HB ILE 64 HB ILE 64 -5.253 -6.786 -9.428 1004 1HG1 ILE 64 1HG1 ILE 64 -3.981 -9.091 -9.745 1005 2HG1 ILE 64 2HG1 ILE 64 -2.789 -8.367 -8.660 1006 1HG2 ILE 64 1HG2 ILE 64 -4.070 -5.835 -11.353 1007 2HG2 ILE 64 2HG2 ILE 64 -4.356 -7.570 -11.551 1008 3HG2 ILE 64 3HG2 ILE 64 -2.748 -6.988 -11.118 1009 1HD1 ILE 64 1HD1 ILE 64 -4.410 -9.820 -7.516 1010 2HD1 ILE 64 2HD1 ILE 64 -5.705 -8.718 -7.999 1011 3HD1 ILE 64 3HD1 ILE 64 -4.429 -8.162 -6.924 1012 H LEU 65 H LEU 65 -5.801 -4.973 -8.226 1013 HA LEU 65 HA LEU 65 -5.571 -5.188 -5.296 1014 1HB LEU 65 1HB LEU 65 -6.234 -2.984 -6.195 1015 2HB LEU 65 2HB LEU 65 -7.625 -3.702 -7.004 1016 HG LEU 65 HG LEU 65 -8.540 -4.308 -4.770 1017 1HD1 LEU 65 1HD1 LEU 65 -6.455 -4.429 -3.497 1018 2HD1 LEU 65 2HD1 LEU 65 -7.599 -3.324 -2.741 1019 3HD1 LEU 65 3HD1 LEU 65 -6.255 -2.682 -3.669 1020 1HD2 LEU 65 1HD2 LEU 65 -7.924 -1.370 -5.105 1021 2HD2 LEU 65 2HD2 LEU 65 -9.233 -2.052 -4.140 1022 3HD2 LEU 65 3HD2 LEU 65 -9.250 -2.245 -5.892 1023 H THR 66 H THR 66 -7.332 -6.213 -4.148 1024 HA THR 66 HA THR 66 -9.236 -7.752 -5.575 1025 HB THR 66 HB THR 66 -7.309 -9.140 -6.121 1026 HG1 THR 66 HG1 THR 66 -9.145 -10.330 -5.832 1027 1HG2 THR 66 1HG2 THR 66 -5.887 -8.519 -4.208 1028 2HG2 THR 66 2HG2 THR 66 -5.987 -10.256 -4.428 1029 3HG2 THR 66 3HG2 THR 66 -6.903 -9.482 -3.139 1030 H LYS 67 H LYS 67 -10.366 -9.292 -4.076 1031 HA LYS 67 HA LYS 67 -10.090 -8.781 -1.222 1032 1HB LYS 67 1HB LYS 67 -12.560 -8.132 -2.874 1033 2HB LYS 67 2HB LYS 67 -12.674 -8.528 -1.149 1034 1HG LYS 67 1HG LYS 67 -11.262 -6.626 -0.596 1035 2HG LYS 67 2HG LYS 67 -11.066 -6.256 -2.310 1036 1HD LYS 67 1HD LYS 67 -12.745 -4.823 -1.224 1037 2HD LYS 67 2HD LYS 67 -13.434 -5.795 -2.533 1038 1HE LYS 67 1HE LYS 67 -14.909 -5.774 -0.556 1039 2HE LYS 67 2HE LYS 67 -14.319 -7.401 -0.898 1040 1HZ LYS 67 1HZ LYS 67 -14.234 -6.886 1.466 1041 2HZ LYS 67 2HZ LYS 67 -13.239 -5.561 1.162 1042 3HZ LYS 67 3HZ LYS 67 -12.674 -7.110 0.866 Start of MODEL 16 1 1H MET 1 1H MET 1 12.947 64.563 -25.619 2 2H MET 1 2H MET 1 13.972 65.186 -24.410 3 3H MET 1 3H MET 1 12.376 64.730 -24.037 4 HA MET 1 HA MET 1 14.510 62.888 -24.910 5 1HB MET 1 1HB MET 1 13.174 63.192 -22.195 6 2HB MET 1 2HB MET 1 14.394 61.994 -22.619 7 1HG MET 1 1HG MET 1 15.385 63.782 -21.345 8 2HG MET 1 2HG MET 1 16.014 63.785 -23.001 9 1HE MET 1 1HE MET 1 15.976 67.580 -21.932 10 2HE MET 1 2HE MET 1 16.987 66.215 -22.428 11 3HE MET 1 3HE MET 1 16.224 66.223 -20.833 12 H MET 2 H MET 2 13.605 60.615 -23.833 13 HA MET 2 HA MET 2 10.939 60.256 -25.033 14 1HB MET 2 1HB MET 2 11.615 57.884 -25.396 15 2HB MET 2 2HB MET 2 12.560 59.036 -26.322 16 1HG MET 2 1HG MET 2 14.386 58.850 -24.710 17 2HG MET 2 2HG MET 2 13.436 57.693 -23.772 18 1HE MET 2 1HE MET 2 15.577 56.081 -23.907 19 2HE MET 2 2HE MET 2 16.471 57.201 -24.954 20 3HE MET 2 3HE MET 2 16.290 55.493 -25.409 21 H THR 3 H THR 3 9.769 58.323 -24.122 22 HA THR 3 HA THR 3 9.562 58.673 -21.270 23 HB THR 3 HB THR 3 7.577 57.134 -21.559 24 HG1 THR 3 HG1 THR 3 7.173 56.289 -23.498 25 1HG2 THR 3 1HG2 THR 3 7.663 59.567 -23.353 26 2HG2 THR 3 2HG2 THR 3 7.315 59.569 -21.621 27 3HG2 THR 3 3HG2 THR 3 6.200 58.788 -22.749 28 H ALA 4 H ALA 4 11.964 57.401 -22.031 29 HA ALA 4 HA ALA 4 11.748 54.559 -21.834 30 1HB ALA 4 1HB ALA 4 14.136 56.384 -21.530 31 2HB ALA 4 2HB ALA 4 13.606 55.590 -23.003 32 3HB ALA 4 3HB ALA 4 14.235 54.634 -21.653 33 H SER 5 H SER 5 10.477 54.320 -19.944 34 HA SER 5 HA SER 5 12.062 54.145 -17.525 35 1HB SER 5 1HB SER 5 9.432 55.634 -17.559 36 2HB SER 5 2HB SER 5 10.421 55.321 -16.141 37 HG SER 5 HG SER 5 12.018 56.495 -17.805 38 H ASP 6 H ASP 6 11.835 51.892 -17.937 39 HA ASP 6 HA ASP 6 9.121 50.796 -18.004 40 1HB ASP 6 1HB ASP 6 10.174 48.685 -18.673 41 2HB ASP 6 2HB ASP 6 10.764 50.002 -19.688 42 H ARG 7 H ARG 7 8.602 48.947 -16.685 43 HA ARG 7 HA ARG 7 9.402 49.410 -13.947 44 1HB ARG 7 1HB ARG 7 7.045 49.071 -14.492 45 2HB ARG 7 2HB ARG 7 7.407 47.501 -15.174 46 1HG ARG 7 1HG ARG 7 8.046 48.028 -12.305 47 2HG ARG 7 2HG ARG 7 6.375 47.725 -12.770 48 1HD ARG 7 1HD ARG 7 7.096 45.592 -13.829 49 2HD ARG 7 2HD ARG 7 8.741 45.896 -13.241 50 HE ARG 7 HE ARG 7 7.011 46.013 -11.047 51 1HH1 ARG 7 1HH1 ARG 7 8.108 43.612 -13.375 52 2HH1 ARG 7 2HH1 ARG 7 7.929 42.286 -12.265 53 1HH2 ARG 7 1HH2 ARG 7 6.766 44.267 -9.626 54 2HH2 ARG 7 2HH2 ARG 7 7.171 42.661 -10.146 55 H LEU 8 H LEU 8 10.860 48.262 -12.817 56 HA LEU 8 HA LEU 8 11.498 45.545 -13.664 57 1HB LEU 8 1HB LEU 8 13.888 45.887 -13.593 58 2HB LEU 8 2HB LEU 8 13.180 46.966 -14.776 59 HG LEU 8 HG LEU 8 14.008 47.803 -11.984 60 1HD1 LEU 8 1HD1 LEU 8 15.445 48.245 -14.593 61 2HD1 LEU 8 2HD1 LEU 8 15.941 47.148 -13.305 62 3HD1 LEU 8 3HD1 LEU 8 15.907 48.884 -13.012 63 1HD2 LEU 8 1HD2 LEU 8 13.739 50.076 -12.792 64 2HD2 LEU 8 2HD2 LEU 8 12.221 49.190 -12.946 65 3HD2 LEU 8 3HD2 LEU 8 13.217 49.471 -14.369 66 H GLY 9 H GLY 9 12.557 44.295 -11.971 67 1HA GLY 9 1HA GLY 9 13.190 45.161 -9.427 68 2HA GLY 9 2HA GLY 9 11.451 44.906 -9.395 69 H ALA 10 H ALA 10 11.929 42.700 -11.484 70 HA ALA 10 HA ALA 10 12.112 40.437 -11.528 71 1HB ALA 10 1HB ALA 10 13.972 39.399 -10.357 72 2HB ALA 10 2HB ALA 10 14.209 40.855 -9.392 73 3HB ALA 10 3HB ALA 10 14.481 40.901 -11.136 74 H ASP 11 H ASP 11 10.048 40.014 -10.782 75 HA ASP 11 HA ASP 11 9.268 39.919 -8.072 76 1HB ASP 11 1HB ASP 11 8.102 38.474 -10.458 77 2HB ASP 11 2HB ASP 11 7.307 38.656 -8.896 78 HA PRO 12 HA PRO 12 11.200 36.053 -6.896 79 1HB PRO 12 1HB PRO 12 9.675 35.521 -4.685 80 2HB PRO 12 2HB PRO 12 10.951 36.736 -4.698 81 1HG PRO 12 1HG PRO 12 7.984 37.112 -4.973 82 2HG PRO 12 2HG PRO 12 9.165 38.053 -4.035 83 1HD PRO 12 1HD PRO 12 8.229 38.876 -6.427 84 2HD PRO 12 2HD PRO 12 9.865 39.253 -5.889 85 H THR 13 H THR 13 10.833 34.276 -8.071 86 HA THR 13 HA THR 13 8.259 33.379 -8.889 87 HB THR 13 HB THR 13 9.505 31.319 -9.647 88 HG1 THR 13 HG1 THR 13 11.233 31.811 -7.937 89 1HG2 THR 13 1HG2 THR 13 9.163 33.260 -11.134 90 2HG2 THR 13 2HG2 THR 13 10.727 32.477 -11.428 91 3HG2 THR 13 3HG2 THR 13 10.646 33.983 -10.512 92 H GLN 14 H GLN 14 6.828 32.251 -7.790 93 HA GLN 14 HA GLN 14 7.499 31.146 -5.183 94 1HB GLN 14 1HB GLN 14 4.813 31.356 -6.567 95 2HB GLN 14 2HB GLN 14 5.080 31.023 -4.853 96 1HG GLN 14 1HG GLN 14 5.727 33.590 -6.321 97 2HG GLN 14 2HG GLN 14 4.400 33.327 -5.195 98 1HE2 GLN 14 2HE2 GLN 14 6.631 35.209 -5.092 99 2HE2 GLN 14 1HE2 GLN 14 7.454 34.920 -3.602 100 H ALA 15 H ALA 15 8.473 29.255 -5.373 101 HA ALA 15 HA ALA 15 7.606 27.263 -7.317 102 1HB ALA 15 1HB ALA 15 9.543 25.981 -6.542 103 2HB ALA 15 2HB ALA 15 9.814 27.147 -5.248 104 3HB ALA 15 3HB ALA 15 9.993 27.638 -6.935 105 H ALA 16 H ALA 16 6.638 25.325 -6.804 106 HA ALA 16 HA ALA 16 5.212 25.191 -4.308 107 1HB ALA 16 1HB ALA 16 4.107 24.580 -6.410 108 2HB ALA 16 2HB ALA 16 4.097 23.232 -5.273 109 3HB ALA 16 3HB ALA 16 5.237 23.246 -6.617 110 H SER 17 H SER 17 7.351 25.084 -3.169 111 HA SER 17 HA SER 17 8.676 22.513 -3.167 112 1HB SER 17 1HB SER 17 9.076 24.924 -1.374 113 2HB SER 17 2HB SER 17 10.145 23.507 -1.451 114 HG SER 17 HG SER 17 10.364 24.064 -3.765 115 H SER 18 H SER 18 7.071 21.081 -2.505 116 HA SER 18 HA SER 18 5.759 21.543 0.051 117 1HB SER 18 1HB SER 18 5.333 19.258 -1.875 118 2HB SER 18 2HB SER 18 4.273 19.747 -0.576 119 HG SER 18 HG SER 18 4.206 21.853 -1.771 120 HA PRO 19 HA PRO 19 9.044 18.951 1.813 121 1HB PRO 19 1HB PRO 19 8.237 19.302 4.412 122 2HB PRO 19 2HB PRO 19 9.243 20.463 3.549 123 1HG PRO 19 1HG PRO 19 6.302 20.483 4.060 124 2HG PRO 19 2HG PRO 19 7.455 21.826 4.155 125 1HD PRO 19 1HD PRO 19 5.828 21.478 2.011 126 2HD PRO 19 2HD PRO 19 7.467 22.145 1.840 127 H GLY 20 H GLY 20 8.848 16.824 1.701 128 1HA GLY 20 1HA GLY 20 6.406 15.540 2.812 129 2HA GLY 20 2HA GLY 20 7.214 14.978 1.358 130 H GLY 21 H GLY 21 7.674 15.502 4.831 131 1HA GLY 21 1HA GLY 21 10.084 14.092 5.133 132 2HA GLY 21 2HA GLY 21 8.870 14.353 6.394 133 H ALA 22 H ALA 22 10.430 12.028 6.175 134 HA ALA 22 HA ALA 22 8.852 9.968 4.892 135 1HB ALA 22 1HB ALA 22 11.274 9.762 4.968 136 2HB ALA 22 2HB ALA 22 10.509 8.413 5.812 137 3HB ALA 22 3HB ALA 22 11.235 9.738 6.730 138 H ARG 23 H ARG 23 6.893 9.730 5.780 139 HA ARG 23 HA ARG 23 6.585 9.398 8.648 140 1HB ARG 23 1HB ARG 23 4.222 9.051 8.185 141 2HB ARG 23 2HB ARG 23 4.798 10.452 7.295 142 1HG ARG 23 1HG ARG 23 4.935 9.090 5.269 143 2HG ARG 23 2HG ARG 23 4.313 7.710 6.158 144 1HD ARG 23 1HD ARG 23 2.526 8.754 4.900 145 2HD ARG 23 2HD ARG 23 2.249 8.963 6.631 146 HE ARG 23 HE ARG 23 3.238 11.257 6.298 147 1HH1 ARG 23 1HH1 ARG 23 1.496 9.576 3.764 148 2HH1 ARG 23 2HH1 ARG 23 1.111 11.041 2.912 149 1HH2 ARG 23 1HH2 ARG 23 2.671 13.187 5.196 150 2HH2 ARG 23 2HH2 ARG 23 1.777 13.072 3.726 151 H ALA 24 H ALA 24 6.431 7.500 9.738 152 HA ALA 24 HA ALA 24 7.200 5.077 8.232 153 1HB ALA 24 1HB ALA 24 7.473 5.650 11.184 154 2HB ALA 24 2HB ALA 24 8.752 5.820 9.980 155 3HB ALA 24 3HB ALA 24 8.080 4.223 10.337 156 H VAL 25 H VAL 25 5.718 3.579 7.911 157 HA VAL 25 HA VAL 25 3.430 3.394 9.767 158 HB VAL 25 HB VAL 25 2.094 2.538 7.867 159 1HG1 VAL 25 1HG1 VAL 25 1.968 4.907 8.431 160 2HG1 VAL 25 2HG1 VAL 25 1.792 4.671 6.695 161 3HG1 VAL 25 3HG1 VAL 25 3.335 5.249 7.357 162 1HG2 VAL 25 1HG2 VAL 25 3.842 1.616 6.473 163 2HG2 VAL 25 2HG2 VAL 25 4.524 3.226 6.214 164 3HG2 VAL 25 3HG2 VAL 25 2.927 2.826 5.563 165 H SER 26 H SER 26 2.844 1.343 10.452 166 HA SER 26 HA SER 26 4.922 -0.687 9.999 167 1HB SER 26 1HB SER 26 2.859 -0.500 12.207 168 2HB SER 26 2HB SER 26 4.130 -1.702 12.104 169 HG SER 26 HG SER 26 4.251 0.925 12.903 170 H ILE 27 H ILE 27 4.369 -2.855 9.873 171 HA ILE 27 HA ILE 27 1.739 -3.477 8.702 172 HB ILE 27 HB ILE 27 4.300 -4.690 7.678 173 1HG1 ILE 27 1HG1 ILE 27 4.253 -2.259 7.165 174 2HG1 ILE 27 2HG1 ILE 27 4.183 -3.258 5.724 175 1HG2 ILE 27 1HG2 ILE 27 2.342 -6.071 7.360 176 2HG2 ILE 27 2HG2 ILE 27 2.927 -5.458 5.807 177 3HG2 ILE 27 3HG2 ILE 27 1.508 -4.733 6.565 178 1HD1 ILE 27 1HD1 ILE 27 1.801 -2.844 5.548 179 2HD1 ILE 27 2HD1 ILE 27 2.699 -1.330 5.594 180 3HD1 ILE 27 3HD1 ILE 27 1.842 -1.872 7.026 181 H VAL 28 H VAL 28 0.847 -5.301 9.640 182 HA VAL 28 HA VAL 28 2.587 -6.739 11.525 183 HB VAL 28 HB VAL 28 0.387 -7.505 12.579 184 1HG1 VAL 28 1HG1 VAL 28 1.088 -4.569 12.668 185 2HG1 VAL 28 2HG1 VAL 28 1.810 -5.853 13.632 186 3HG1 VAL 28 3HG1 VAL 28 0.116 -5.424 13.869 187 1HG2 VAL 28 1HG2 VAL 28 -1.099 -6.905 10.709 188 2HG2 VAL 28 2HG2 VAL 28 -0.730 -5.195 10.976 189 3HG2 VAL 28 3HG2 VAL 28 -1.588 -6.114 12.209 190 H GLY 29 H GLY 29 3.402 -8.323 10.303 191 1HA GLY 29 1HA GLY 29 3.436 -10.409 9.282 192 2HA GLY 29 2HA GLY 29 1.689 -10.452 9.356 193 H ASN 30 H ASN 30 0.491 -9.225 7.795 194 HA ASN 30 HA ASN 30 1.902 -7.988 5.573 195 1HB ASN 30 1HB ASN 30 0.957 -9.307 3.827 196 2HB ASN 30 2HB ASN 30 1.656 -10.451 4.969 197 1HD2 ASN 30 2HD2 ASN 30 -0.470 -10.754 2.972 198 2HD2 ASN 30 1HD2 ASN 30 -1.850 -11.352 3.849 199 H GLN 31 H GLN 31 0.004 -7.336 7.803 200 HA GLN 31 HA GLN 31 -2.362 -6.503 6.257 201 1HB GLN 31 1HB GLN 31 -2.317 -7.969 8.531 202 2HB GLN 31 2HB GLN 31 -2.379 -6.369 9.236 203 1HG GLN 31 1HG GLN 31 -4.391 -7.483 7.285 204 2HG GLN 31 2HG GLN 31 -4.595 -7.449 9.027 205 1HE2 GLN 31 2HE2 GLN 31 -4.606 -5.579 6.096 206 2HE2 GLN 31 1HE2 GLN 31 -5.293 -4.152 6.777 207 H ILE 32 H ILE 32 -3.156 -4.371 6.578 208 HA ILE 32 HA ILE 32 -1.768 -2.386 8.118 209 HB ILE 32 HB ILE 32 -0.259 -2.560 6.141 210 1HG1 ILE 32 1HG1 ILE 32 -1.823 0.019 6.395 211 2HG1 ILE 32 2HG1 ILE 32 -0.384 -0.429 7.306 212 1HG2 ILE 32 1HG2 ILE 32 -1.059 -1.743 3.944 213 2HG2 ILE 32 2HG2 ILE 32 -2.699 -1.711 4.589 214 3HG2 ILE 32 3HG2 ILE 32 -1.846 -3.242 4.447 215 1HD1 ILE 32 1HD1 ILE 32 0.108 1.192 5.554 216 2HD1 ILE 32 2HD1 ILE 32 -0.495 0.074 4.331 217 3HD1 ILE 32 3HD1 ILE 32 0.942 -0.343 5.278 218 H ASP 33 H ASP 33 -2.947 -0.335 8.058 219 HA ASP 33 HA ASP 33 -5.684 -0.634 7.023 220 1HB ASP 33 1HB ASP 33 -5.343 -0.287 9.518 221 2HB ASP 33 2HB ASP 33 -4.793 1.330 9.129 222 H SER 34 H SER 34 -6.670 1.086 5.933 223 HA SER 34 HA SER 34 -5.032 2.431 4.067 224 1HB SER 34 1HB SER 34 -7.188 3.578 3.410 225 2HB SER 34 2HB SER 34 -7.254 1.813 3.426 226 HG SER 34 HG SER 34 -7.916 2.706 5.868 227 H ARG 35 H ARG 35 -6.079 3.278 7.222 228 HA ARG 35 HA ARG 35 -6.119 6.124 6.929 229 1HB ARG 35 1HB ARG 35 -7.298 5.049 8.775 230 2HB ARG 35 2HB ARG 35 -5.796 4.405 9.390 231 1HG ARG 35 1HG ARG 35 -6.537 6.335 10.697 232 2HG ARG 35 2HG ARG 35 -5.008 6.681 9.869 233 1HD ARG 35 1HD ARG 35 -6.376 7.765 8.044 234 2HD ARG 35 2HD ARG 35 -7.772 7.599 9.131 235 HE ARG 35 HE ARG 35 -5.846 8.869 10.623 236 1HH1 ARG 35 1HH1 ARG 35 -7.508 9.575 7.585 237 2HH1 ARG 35 2HH1 ARG 35 -7.302 11.284 7.768 238 1HH2 ARG 35 1HH2 ARG 35 -5.590 11.097 10.805 239 2HH2 ARG 35 2HH2 ARG 35 -6.241 12.161 9.605 240 H GLU 36 H GLU 36 -3.654 3.772 7.866 241 HA GLU 36 HA GLU 36 -1.708 5.535 8.794 242 1HB GLU 36 1HB GLU 36 -1.164 2.970 7.295 243 2HB GLU 36 2HB GLU 36 -0.155 3.729 8.517 244 1HG GLU 36 1HG GLU 36 -2.843 2.426 8.951 245 2HG GLU 36 2HG GLU 36 -1.269 1.806 9.453 246 H LEU 37 H LEU 37 -2.365 4.345 5.538 247 HA LEU 37 HA LEU 37 -0.145 5.686 4.334 248 1HB LEU 37 1HB LEU 37 -2.599 4.409 3.086 249 2HB LEU 37 2HB LEU 37 -1.199 4.996 2.184 250 HG LEU 37 HG LEU 37 -1.145 2.769 4.219 251 1HD1 LEU 37 1HD1 LEU 37 -2.336 2.117 2.169 252 2HD1 LEU 37 2HD1 LEU 37 -0.797 1.251 2.350 253 3HD1 LEU 37 3HD1 LEU 37 -0.932 2.584 1.214 254 1HD2 LEU 37 1HD2 LEU 37 1.148 2.390 3.397 255 2HD2 LEU 37 2HD2 LEU 37 0.954 3.968 4.160 256 3HD2 LEU 37 3HD2 LEU 37 1.010 3.839 2.399 257 H PHE 38 H PHE 38 -3.634 6.222 4.341 258 HA PHE 38 HA PHE 38 -3.300 8.748 2.896 259 1HB PHE 38 1HB PHE 38 -5.828 7.264 3.661 260 2HB PHE 38 2HB PHE 38 -5.712 8.662 2.589 261 HD1 PHE 38 HD1 PHE 38 -4.230 8.417 0.497 262 HD2 PHE 38 HD2 PHE 38 -5.736 5.128 2.748 263 HE1 PHE 38 HE1 PHE 38 -3.880 6.930 -1.433 264 HE2 PHE 38 HE2 PHE 38 -5.366 3.640 0.833 265 HZ PHE 38 HZ PHE 38 -4.449 4.533 -1.279 266 H THR 39 H THR 39 -2.464 8.492 5.671 267 HA THR 39 HA THR 39 -4.336 9.594 7.461 268 HB THR 39 HB THR 39 -2.362 8.517 8.308 269 HG1 THR 39 HG1 THR 39 -2.942 9.977 9.804 270 1HG2 THR 39 1HG2 THR 39 -0.785 10.691 6.930 271 2HG2 THR 39 2HG2 THR 39 -0.766 8.966 6.574 272 3HG2 THR 39 3HG2 THR 39 -0.118 9.553 8.118 273 H VAL 40 H VAL 40 -2.071 11.161 5.231 274 HA VAL 40 HA VAL 40 -3.228 13.783 5.983 275 HB VAL 40 HB VAL 40 -0.440 13.274 4.911 276 1HG1 VAL 40 1HG1 VAL 40 -1.768 15.829 5.836 277 2HG1 VAL 40 2HG1 VAL 40 -1.316 15.435 4.168 278 3HG1 VAL 40 3HG1 VAL 40 -0.067 15.683 5.396 279 1HG2 VAL 40 1HG2 VAL 40 -1.335 14.060 7.685 280 2HG2 VAL 40 2HG2 VAL 40 0.345 13.992 7.136 281 3HG2 VAL 40 3HG2 VAL 40 -0.622 12.514 7.207 282 H ASP 41 H ASP 41 -1.591 12.079 3.328 283 HA ASP 41 HA ASP 41 -2.833 13.779 1.319 284 1HB ASP 41 1HB ASP 41 -1.230 11.203 0.954 285 2HB ASP 41 2HB ASP 41 -1.578 12.412 -0.288 286 H ARG 42 H ARG 42 -3.609 12.192 -0.720 287 HA ARG 42 HA ARG 42 -5.594 10.309 0.432 288 1HB ARG 42 1HB ARG 42 -6.444 12.735 -0.205 289 2HB ARG 42 2HB ARG 42 -6.378 12.124 -1.844 290 1HG ARG 42 1HG ARG 42 -8.609 11.854 -1.029 291 2HG ARG 42 2HG ARG 42 -7.888 10.263 -1.155 292 1HD ARG 42 1HD ARG 42 -7.451 10.271 1.250 293 2HD ARG 42 2HD ARG 42 -8.125 11.889 1.370 294 HE ARG 42 HE ARG 42 -10.046 10.223 0.233 295 1HH1 ARG 42 1HH1 ARG 42 -8.438 10.699 3.305 296 2HH1 ARG 42 2HH1 ARG 42 -9.757 10.034 4.218 297 1HH2 ARG 42 1HH2 ARG 42 -11.748 9.329 1.416 298 2HH2 ARG 42 2HH2 ARG 42 -11.629 9.242 3.142 299 H GLU 43 H GLU 43 -3.013 10.624 -1.448 300 HA GLU 43 HA GLU 43 -3.693 8.330 -3.106 301 1HB GLU 43 1HB GLU 43 -4.189 10.270 -4.538 302 2HB GLU 43 2HB GLU 43 -2.612 10.949 -4.179 303 1HG GLU 43 1HG GLU 43 -1.527 9.096 -5.338 304 2HG GLU 43 2HG GLU 43 -3.097 8.374 -5.670 305 H ILE 44 H ILE 44 -1.986 6.978 -3.363 306 HA ILE 44 HA ILE 44 0.618 7.837 -2.259 307 HB ILE 44 HB ILE 44 -0.725 5.106 -1.988 308 1HG1 ILE 44 1HG1 ILE 44 -1.638 6.840 -0.460 309 2HG1 ILE 44 2HG1 ILE 44 -0.779 5.596 0.421 310 1HG2 ILE 44 1HG2 ILE 44 1.979 6.040 -0.992 311 2HG2 ILE 44 2HG2 ILE 44 1.685 4.874 -2.285 312 3HG2 ILE 44 3HG2 ILE 44 1.222 4.480 -0.630 313 1HD1 ILE 44 1HD1 ILE 44 -0.296 7.755 1.347 314 2HD1 ILE 44 2HD1 ILE 44 0.281 8.327 -0.236 315 3HD1 ILE 44 3HD1 ILE 44 1.147 7.050 0.620 316 H VAL 45 H VAL 45 2.417 7.219 -3.379 317 HA VAL 45 HA VAL 45 1.955 6.072 -6.069 318 HB VAL 45 HB VAL 45 4.426 7.489 -4.997 319 1HG1 VAL 45 1HG1 VAL 45 3.663 6.624 -7.790 320 2HG1 VAL 45 2HG1 VAL 45 4.967 5.978 -6.787 321 3HG1 VAL 45 3HG1 VAL 45 5.054 7.636 -7.396 322 1HG2 VAL 45 1HG2 VAL 45 2.178 8.531 -6.745 323 2HG2 VAL 45 2HG2 VAL 45 3.684 9.401 -6.392 324 3HG2 VAL 45 3HG2 VAL 45 2.535 9.030 -5.095 325 H ILE 46 H ILE 46 3.016 4.235 -6.733 326 HA ILE 46 HA ILE 46 4.577 2.753 -4.721 327 HB ILE 46 HB ILE 46 2.339 1.531 -6.380 328 1HG1 ILE 46 1HG1 ILE 46 2.493 2.083 -3.391 329 2HG1 ILE 46 2HG1 ILE 46 1.447 2.902 -4.547 330 1HG2 ILE 46 1HG2 ILE 46 2.800 -0.516 -5.078 331 2HG2 ILE 46 2HG2 ILE 46 4.141 0.309 -4.283 332 3HG2 ILE 46 3HG2 ILE 46 4.202 -0.007 -6.013 333 1HD1 ILE 46 1HD1 ILE 46 1.299 -0.022 -3.827 334 2HD1 ILE 46 2HD1 ILE 46 0.228 0.836 -4.931 335 3HD1 ILE 46 3HD1 ILE 46 0.255 1.267 -3.216 336 H ALA 47 H ALA 47 6.551 2.648 -5.693 337 HA ALA 47 HA ALA 47 6.773 2.398 -8.571 338 1HB ALA 47 1HB ALA 47 9.202 2.583 -8.174 339 2HB ALA 47 2HB ALA 47 8.901 2.502 -6.431 340 3HB ALA 47 3HB ALA 47 8.288 3.870 -7.363 341 H HIS 48 H HIS 48 7.266 0.562 -9.698 342 HA HIS 48 HA HIS 48 8.202 -1.809 -8.239 343 1HB HIS 48 1HB HIS 48 5.751 -2.013 -8.348 344 2HB HIS 48 2HB HIS 48 5.803 -1.785 -10.078 345 HD1 HIS 48 HD1 HIS 48 7.225 -4.251 -7.540 346 HD2 HIS 48 HD2 HIS 48 5.944 -4.076 -11.477 347 HE1 HIS 48 HE1 HIS 48 7.351 -6.600 -8.393 348 HE2 HIS 48 HE2 HIS 48 6.816 -6.430 -10.827 349 H GLY 49 H GLY 49 10.234 -1.520 -9.298 350 1HA GLY 49 1HA GLY 49 11.649 -2.327 -10.938 351 2HA GLY 49 2HA GLY 49 10.269 -2.639 -11.973 352 H ASP 50 H ASP 50 10.231 -1.386 -13.705 353 HA ASP 50 HA ASP 50 11.433 1.293 -13.581 354 1HB ASP 50 1HB ASP 50 10.575 -0.376 -15.966 355 2HB ASP 50 2HB ASP 50 11.285 1.236 -16.064 356 H ASP 51 H ASP 51 8.423 -0.310 -13.556 357 HA ASP 51 HA ASP 51 6.959 2.007 -14.589 358 1HB ASP 51 1HB ASP 51 6.346 -0.247 -15.400 359 2HB ASP 51 2HB ASP 51 6.013 -0.754 -13.748 360 H ARG 52 H ARG 52 4.989 2.698 -13.320 361 HA ARG 52 HA ARG 52 5.315 2.430 -10.438 362 1HB ARG 52 1HB ARG 52 5.355 5.102 -11.863 363 2HB ARG 52 2HB ARG 52 5.138 4.915 -10.124 364 1HG ARG 52 1HG ARG 52 7.320 3.817 -9.970 365 2HG ARG 52 2HG ARG 52 7.554 4.048 -11.705 366 1HD ARG 52 1HD ARG 52 7.509 6.458 -11.411 367 2HD ARG 52 2HD ARG 52 7.212 6.267 -9.671 368 HE ARG 52 HE ARG 52 9.488 4.828 -10.175 369 1HH1 ARG 52 1HH1 ARG 52 8.518 8.149 -10.599 370 2HH1 ARG 52 2HH1 ARG 52 10.110 8.779 -10.385 371 1HH2 ARG 52 1HH2 ARG 52 11.593 5.660 -9.831 372 2HH2 ARG 52 2HH2 ARG 52 11.872 7.365 -9.936 373 H TYR 53 H TYR 53 3.478 2.683 -9.292 374 HA TYR 53 HA TYR 53 0.978 3.128 -10.808 375 1HB TYR 53 1HB TYR 53 1.666 1.050 -8.723 376 2HB TYR 53 2HB TYR 53 -0.000 1.554 -8.975 377 HD1 TYR 53 HD2 TYR 53 2.892 -0.129 -10.524 378 HD2 TYR 53 HD1 TYR 53 -1.223 0.844 -10.872 379 HE1 TYR 53 HE2 TYR 53 2.672 -1.757 -12.362 380 HE2 TYR 53 HE1 TYR 53 -1.477 -0.772 -12.713 381 HH TYR 53 HH TYR 53 -0.245 -1.974 -14.294 382 H ARG 54 H ARG 54 -0.864 3.521 -9.105 383 HA ARG 54 HA ARG 54 0.035 5.133 -6.840 384 1HB ARG 54 1HB ARG 54 -1.911 6.131 -8.910 385 2HB ARG 54 2HB ARG 54 -1.534 6.952 -7.406 386 1HG ARG 54 1HG ARG 54 0.817 7.185 -8.201 387 2HG ARG 54 2HG ARG 54 0.309 6.498 -9.754 388 1HD ARG 54 1HD ARG 54 -1.419 8.300 -9.899 389 2HD ARG 54 2HD ARG 54 -0.731 9.012 -8.445 390 HE ARG 54 HE ARG 54 1.014 8.633 -10.777 391 1HH1 ARG 54 1HH1 ARG 54 -0.579 10.765 -8.497 392 2HH1 ARG 54 2HH1 ARG 54 0.099 12.211 -9.200 393 1HH2 ARG 54 1HH2 ARG 54 1.892 10.522 -11.701 394 2HH2 ARG 54 2HH2 ARG 54 1.468 12.087 -11.047 395 H LEU 55 H LEU 55 -0.938 4.193 -5.164 396 HA LEU 55 HA LEU 55 -3.573 3.007 -5.367 397 1HB LEU 55 1HB LEU 55 -1.836 2.022 -3.916 398 2HB LEU 55 2HB LEU 55 -1.823 3.484 -2.942 399 HG LEU 55 HG LEU 55 -4.187 3.047 -2.282 400 1HD1 LEU 55 1HD1 LEU 55 -4.895 1.816 -4.270 401 2HD1 LEU 55 2HD1 LEU 55 -5.224 0.900 -2.811 402 3HD1 LEU 55 3HD1 LEU 55 -3.851 0.481 -3.822 403 1HD2 LEU 55 1HD2 LEU 55 -3.726 1.158 -0.792 404 2HD2 LEU 55 2HD2 LEU 55 -2.325 2.231 -0.895 405 3HD2 LEU 55 3HD2 LEU 55 -2.334 0.715 -1.787 406 H ARG 56 H ARG 56 -5.310 4.283 -5.396 407 HA ARG 56 HA ARG 56 -5.074 6.960 -4.185 408 1HB ARG 56 1HB ARG 56 -5.167 7.197 -6.558 409 2HB ARG 56 2HB ARG 56 -6.499 6.052 -6.672 410 1HG ARG 56 1HG ARG 56 -7.959 7.655 -5.519 411 2HG ARG 56 2HG ARG 56 -6.619 8.802 -5.449 412 1HD ARG 56 1HD ARG 56 -7.834 7.682 -7.990 413 2HD ARG 56 2HD ARG 56 -8.167 9.281 -7.324 414 HE ARG 56 HE ARG 56 -5.463 9.258 -7.569 415 1HH1 ARG 56 1HH1 ARG 56 -8.087 8.641 -9.801 416 2HH1 ARG 56 2HH1 ARG 56 -7.206 9.190 -11.197 417 1HH2 ARG 56 1HH2 ARG 56 -4.304 9.957 -9.346 418 2HH2 ARG 56 2HH2 ARG 56 -5.015 9.950 -10.934 419 H LEU 57 H LEU 57 -6.687 7.693 -2.884 420 HA LEU 57 HA LEU 57 -8.857 5.783 -2.227 421 1HB LEU 57 1HB LEU 57 -7.228 6.307 -0.409 422 2HB LEU 57 2HB LEU 57 -7.695 7.998 -0.524 423 HG LEU 57 HG LEU 57 -9.991 7.446 0.191 424 1HD1 LEU 57 1HD1 LEU 57 -10.553 5.220 0.986 425 2HD1 LEU 57 2HD1 LEU 57 -8.965 4.618 0.489 426 3HD1 LEU 57 3HD1 LEU 57 -10.120 5.197 -0.712 427 1HD2 LEU 57 1HD2 LEU 57 -8.332 8.032 1.878 428 2HD2 LEU 57 2HD2 LEU 57 -7.868 6.355 2.031 429 3HD2 LEU 57 3HD2 LEU 57 -9.492 6.861 2.518 430 H THR 58 H THR 58 -10.941 6.483 -2.315 431 HA THR 58 HA THR 58 -11.541 8.959 -3.668 432 HB THR 58 HB THR 58 -13.883 8.233 -3.546 433 HG1 THR 58 HG1 THR 58 -12.778 6.309 -1.804 434 1HG2 THR 58 1HG2 THR 58 -13.674 6.142 -4.838 435 2HG2 THR 58 2HG2 THR 58 -11.987 6.015 -4.343 436 3HG2 THR 58 3HG2 THR 58 -12.509 7.350 -5.363 437 H SER 59 H SER 59 -13.662 10.096 -2.612 438 HA SER 59 HA SER 59 -12.893 11.593 -0.437 439 1HB SER 59 1HB SER 59 -15.757 10.844 -1.103 440 2HB SER 59 2HB SER 59 -15.215 12.269 -0.229 441 HG SER 59 HG SER 59 -13.914 12.566 -2.343 442 H GLN 60 H GLN 60 -14.407 8.413 -0.430 443 HA GLN 60 HA GLN 60 -13.405 7.630 2.042 444 1HB GLN 60 1HB GLN 60 -15.339 7.674 3.515 445 2HB GLN 60 2HB GLN 60 -14.955 9.294 2.999 446 1HG GLN 60 1HG GLN 60 -16.804 9.339 1.474 447 2HG GLN 60 2HG GLN 60 -17.107 7.620 1.734 448 1HE2 GLN 60 2HE2 GLN 60 -18.930 9.856 2.060 449 2HE2 GLN 60 1HE2 GLN 60 -19.438 9.852 3.709 450 H ASN 61 H ASN 61 -15.640 7.343 -0.518 451 HA ASN 61 HA ASN 61 -17.136 5.094 0.024 452 1HB ASN 61 1HB ASN 61 -15.959 5.884 -2.675 453 2HB ASN 61 2HB ASN 61 -17.309 4.766 -2.428 454 1HD2 ASN 61 2HD2 ASN 61 -19.327 5.572 -1.797 455 2HD2 ASN 61 1HD2 ASN 61 -19.699 7.259 -1.893 456 H LYS 62 H LYS 62 -14.177 4.957 -2.008 457 HA LYS 62 HA LYS 62 -13.296 2.556 -0.636 458 1HB LYS 62 1HB LYS 62 -13.296 1.147 -2.624 459 2HB LYS 62 2HB LYS 62 -14.931 1.696 -2.281 460 1HG LYS 62 1HG LYS 62 -14.717 3.409 -4.028 461 2HG LYS 62 2HG LYS 62 -13.099 2.824 -4.390 462 1HD LYS 62 1HD LYS 62 -14.044 0.613 -4.960 463 2HD LYS 62 2HD LYS 62 -15.653 1.254 -4.640 464 1HE LYS 62 1HE LYS 62 -15.353 2.911 -6.424 465 2HE LYS 62 2HE LYS 62 -13.743 2.283 -6.764 466 1HZ LYS 62 1HZ LYS 62 -14.813 0.141 -7.308 467 2HZ LYS 62 2HZ LYS 62 -15.256 1.406 -8.336 468 3HZ LYS 62 3HZ LYS 62 -16.325 0.873 -7.142 469 H LEU 63 H LEU 63 -11.430 1.640 -2.358 470 HA LEU 63 HA LEU 63 -9.861 3.930 -3.246 471 1HB LEU 63 1HB LEU 63 -7.786 2.941 -2.370 472 2HB LEU 63 2HB LEU 63 -8.894 3.434 -1.102 473 HG LEU 63 HG LEU 63 -8.701 0.551 -2.009 474 1HD1 LEU 63 1HD1 LEU 63 -6.457 1.323 -1.282 475 2HD1 LEU 63 2HD1 LEU 63 -7.157 0.189 -0.136 476 3HD1 LEU 63 3HD1 LEU 63 -7.157 1.908 0.232 477 1HD2 LEU 63 1HD2 LEU 63 -9.594 0.149 0.261 478 2HD2 LEU 63 2HD2 LEU 63 -10.683 1.103 -0.737 479 3HD2 LEU 63 3HD2 LEU 63 -9.715 1.887 0.509 480 H ILE 64 H ILE 64 -8.082 3.208 -4.720 481 HA ILE 64 HA ILE 64 -8.573 0.713 -6.126 482 HB ILE 64 HB ILE 64 -8.840 1.962 -8.345 483 1HG1 ILE 64 1HG1 ILE 64 -10.146 4.198 -8.001 484 2HG1 ILE 64 2HG1 ILE 64 -9.386 4.211 -6.418 485 1HG2 ILE 64 1HG2 ILE 64 -11.133 2.062 -6.390 486 2HG2 ILE 64 2HG2 ILE 64 -10.650 0.674 -7.349 487 3HG2 ILE 64 3HG2 ILE 64 -11.271 2.118 -8.141 488 1HD1 ILE 64 1HD1 ILE 64 -8.180 5.584 -8.040 489 2HD1 ILE 64 2HD1 ILE 64 -7.908 4.156 -9.037 490 3HD1 ILE 64 3HD1 ILE 64 -7.191 4.256 -7.426 491 H LEU 65 H LEU 65 -7.139 0.621 -8.131 492 HA LEU 65 HA LEU 65 -4.544 1.920 -7.518 493 1HB LEU 65 1HB LEU 65 -4.607 -0.581 -7.211 494 2HB LEU 65 2HB LEU 65 -5.006 -0.740 -8.905 495 HG LEU 65 HG LEU 65 -2.845 0.325 -9.482 496 1HD1 LEU 65 1HD1 LEU 65 -1.126 0.574 -7.754 497 2HD1 LEU 65 2HD1 LEU 65 -2.307 0.153 -6.524 498 3HD1 LEU 65 3HD1 LEU 65 -2.500 1.634 -7.464 499 1HD2 LEU 65 1HD2 LEU 65 -2.675 -2.132 -7.732 500 2HD2 LEU 65 2HD2 LEU 65 -1.438 -1.608 -8.865 501 3HD2 LEU 65 3HD2 LEU 65 -3.021 -2.086 -9.457 502 H THR 66 H THR 66 -3.411 2.799 -9.369 503 HA THR 66 HA THR 66 -4.584 2.903 -11.894 504 HB THR 66 HB THR 66 -6.304 4.309 -10.854 505 HG1 THR 66 HG1 THR 66 -6.152 5.127 -12.805 506 1HG2 THR 66 1HG2 THR 66 -4.040 6.137 -10.102 507 2HG2 THR 66 2HG2 THR 66 -5.044 5.229 -8.973 508 3HG2 THR 66 3HG2 THR 66 -5.743 6.526 -9.943 509 H LYS 67 H LYS 67 -3.484 4.938 -13.091 510 HA LYS 67 HA LYS 67 -1.230 6.148 -11.915 511 1HB LYS 67 1HB LYS 67 0.573 5.054 -13.162 512 2HB LYS 67 2HB LYS 67 -0.167 3.953 -11.998 513 1HG LYS 67 1HG LYS 67 -1.415 2.873 -13.815 514 2HG LYS 67 2HG LYS 67 -0.697 4.006 -14.982 515 1HD LYS 67 1HD LYS 67 1.536 3.158 -14.429 516 2HD LYS 67 2HD LYS 67 0.827 2.027 -13.281 517 1HE LYS 67 1HE LYS 67 -0.381 0.923 -15.118 518 2HE LYS 67 2HE LYS 67 0.312 2.080 -16.254 519 1HZ LYS 67 1HZ LYS 67 1.834 0.102 -14.649 520 2HZ LYS 67 2HZ LYS 67 2.519 1.255 -15.673 521 3HZ LYS 67 3HZ LYS 67 1.555 0.031 -16.316 522 1H MET 1 1H MET 1 -2.823 -53.916 41.969 523 2H MET 1 2H MET 1 -2.667 -53.762 43.644 524 3H MET 1 3H MET 1 -1.356 -54.289 42.714 525 HA MET 1 HA MET 1 -2.614 -51.627 42.504 526 1HB MET 1 1HB MET 1 -1.478 -51.910 44.659 527 2HB MET 1 2HB MET 1 -0.027 -52.453 43.850 528 1HG MET 1 1HG MET 1 0.143 -50.233 42.745 529 2HG MET 1 2HG MET 1 -1.247 -49.697 43.685 530 1HE MET 1 1HE MET 1 1.705 -47.790 45.366 531 2HE MET 1 2HE MET 1 0.128 -47.639 44.604 532 3HE MET 1 3HE MET 1 1.513 -48.181 43.653 533 H MET 2 H MET 2 -2.545 -51.422 40.305 534 HA MET 2 HA MET 2 0.041 -51.072 39.101 535 1HB MET 2 1HB MET 2 -0.255 -53.501 38.792 536 2HB MET 2 2HB MET 2 -1.790 -53.214 37.991 537 1HG MET 2 1HG MET 2 -0.678 -52.090 36.170 538 2HG MET 2 2HG MET 2 0.875 -52.242 36.990 539 1HE MET 2 1HE MET 2 1.314 -54.757 34.022 540 2HE MET 2 2HE MET 2 1.995 -53.367 34.860 541 3HE MET 2 3HE MET 2 0.465 -53.214 33.979 542 H THR 3 H THR 3 -0.079 -49.352 37.888 543 HA THR 3 HA THR 3 -2.350 -48.827 36.165 544 HB THR 3 HB THR 3 -1.392 -46.778 38.174 545 HG1 THR 3 HG1 THR 3 -3.479 -48.612 38.152 546 1HG2 THR 3 1HG2 THR 3 -3.248 -45.390 37.381 547 2HG2 THR 3 2HG2 THR 3 -3.652 -46.611 36.179 548 3HG2 THR 3 3HG2 THR 3 -2.118 -45.753 36.066 549 H ALA 4 H ALA 4 -1.776 -47.648 34.321 550 HA ALA 4 HA ALA 4 0.994 -47.765 33.628 551 1HB ALA 4 1HB ALA 4 -0.830 -48.106 32.006 552 2HB ALA 4 2HB ALA 4 0.279 -46.849 31.493 553 3HB ALA 4 3HB ALA 4 -1.281 -46.408 32.171 554 H SER 5 H SER 5 -0.620 -45.510 35.458 555 HA SER 5 HA SER 5 0.924 -43.213 34.517 556 1HB SER 5 1HB SER 5 -1.081 -43.428 36.807 557 2HB SER 5 2HB SER 5 -0.380 -41.930 36.162 558 HG SER 5 HG SER 5 -1.407 -43.267 34.126 559 H ASP 6 H ASP 6 1.574 -45.813 36.376 560 HA ASP 6 HA ASP 6 2.730 -44.768 38.714 561 1HB ASP 6 1HB ASP 6 3.810 -46.859 38.971 562 2HB ASP 6 2HB ASP 6 2.272 -47.213 38.207 563 H ARG 7 H ARG 7 4.015 -45.348 35.495 564 HA ARG 7 HA ARG 7 6.007 -43.274 35.890 565 1HB ARG 7 1HB ARG 7 7.250 -45.193 36.657 566 2HB ARG 7 2HB ARG 7 6.793 -46.119 35.236 567 1HG ARG 7 1HG ARG 7 9.128 -45.290 35.181 568 2HG ARG 7 2HG ARG 7 8.166 -44.696 33.843 569 1HD ARG 7 1HD ARG 7 9.571 -42.924 34.795 570 2HD ARG 7 2HD ARG 7 7.868 -42.543 34.944 571 HE ARG 7 HE ARG 7 8.935 -43.859 37.271 572 1HH1 ARG 7 1HH1 ARG 7 8.564 -40.774 35.667 573 2HH1 ARG 7 2HH1 ARG 7 8.703 -39.837 37.118 574 1HH2 ARG 7 1HH2 ARG 7 9.036 -42.643 39.216 575 2HH2 ARG 7 2HH2 ARG 7 8.953 -40.909 39.146 576 H LEU 8 H LEU 8 5.252 -42.040 34.304 577 HA LEU 8 HA LEU 8 5.817 -42.719 31.595 578 1HB LEU 8 1HB LEU 8 3.691 -43.923 31.816 579 2HB LEU 8 2HB LEU 8 2.905 -42.452 32.389 580 HG LEU 8 HG LEU 8 3.219 -41.399 30.211 581 1HD1 LEU 8 1HD1 LEU 8 4.051 -42.663 28.282 582 2HD1 LEU 8 2HD1 LEU 8 4.483 -43.984 29.371 583 3HD1 LEU 8 3HD1 LEU 8 5.303 -42.430 29.518 584 1HD2 LEU 8 1HD2 LEU 8 1.179 -42.685 30.609 585 2HD2 LEU 8 2HD2 LEU 8 1.983 -44.137 30.008 586 3HD2 LEU 8 3HD2 LEU 8 1.669 -42.793 28.912 587 H GLY 9 H GLY 9 6.735 -40.880 31.010 588 1HA GLY 9 1HA GLY 9 5.679 -38.317 31.976 589 2HA GLY 9 2HA GLY 9 7.228 -38.577 31.186 590 H ALA 10 H ALA 10 3.728 -38.588 30.599 591 HA ALA 10 HA ALA 10 4.038 -38.308 27.762 592 1HB ALA 10 1HB ALA 10 2.015 -39.310 28.731 593 2HB ALA 10 2HB ALA 10 1.614 -37.916 27.749 594 3HB ALA 10 3HB ALA 10 1.614 -37.781 29.515 595 H ASP 11 H ASP 11 5.264 -36.561 27.271 596 HA ASP 11 HA ASP 11 5.125 -34.067 28.566 597 1HB ASP 11 1HB ASP 11 6.646 -33.265 26.840 598 2HB ASP 11 2HB ASP 11 7.156 -34.854 27.420 599 HA PRO 12 HA PRO 12 1.709 -32.353 26.219 600 1HB PRO 12 1HB PRO 12 1.363 -30.167 27.651 601 2HB PRO 12 2HB PRO 12 1.133 -31.742 28.409 602 1HG PRO 12 1HG PRO 12 3.507 -29.923 28.573 603 2HG PRO 12 2HG PRO 12 2.699 -30.813 29.873 604 1HD PRO 12 1HD PRO 12 4.982 -31.665 28.529 605 2HD PRO 12 2HD PRO 12 3.880 -32.722 29.429 606 H THR 13 H THR 13 4.730 -31.775 25.643 607 HA THR 13 HA THR 13 5.332 -29.161 25.144 608 HB THR 13 HB THR 13 6.054 -31.461 23.307 609 HG1 THR 13 HG1 THR 13 7.226 -32.212 24.892 610 1HG2 THR 13 1HG2 THR 13 8.133 -30.197 22.939 611 2HG2 THR 13 2HG2 THR 13 7.522 -28.896 23.963 612 3HG2 THR 13 3HG2 THR 13 6.724 -29.270 22.438 613 H GLN 14 H GLN 14 4.852 -27.652 23.683 614 HA GLN 14 HA GLN 14 3.679 -28.230 21.124 615 1HB GLN 14 1HB GLN 14 1.677 -28.294 22.597 616 2HB GLN 14 2HB GLN 14 2.041 -26.671 23.162 617 1HG GLN 14 1HG GLN 14 1.799 -25.883 20.800 618 2HG GLN 14 2HG GLN 14 1.235 -27.505 20.386 619 1HE2 GLN 14 2HE2 GLN 14 0.453 -24.519 21.979 620 2HE2 GLN 14 1HE2 GLN 14 -1.214 -24.858 22.251 621 H ALA 15 H ALA 15 4.630 -26.801 19.787 622 HA ALA 15 HA ALA 15 5.054 -24.051 20.661 623 1HB ALA 15 1HB ALA 15 7.246 -25.747 19.448 624 2HB ALA 15 2HB ALA 15 7.160 -25.218 21.119 625 3HB ALA 15 3HB ALA 15 7.360 -24.025 19.838 626 H ALA 16 H ALA 16 3.168 -23.874 19.236 627 HA ALA 16 HA ALA 16 3.282 -24.485 16.484 628 1HB ALA 16 1HB ALA 16 1.169 -24.236 17.670 629 2HB ALA 16 2HB ALA 16 1.246 -23.092 16.328 630 3HB ALA 16 3HB ALA 16 1.514 -22.531 17.970 631 H SER 17 H SER 17 4.585 -23.548 15.063 632 HA SER 17 HA SER 17 5.882 -21.043 15.518 633 1HB SER 17 1HB SER 17 6.825 -21.405 13.249 634 2HB SER 17 2HB SER 17 7.014 -22.830 14.279 635 HG SER 17 HG SER 17 4.740 -22.582 12.612 636 H SER 18 H SER 18 4.981 -19.120 15.231 637 HA SER 18 HA SER 18 2.872 -18.807 13.217 638 1HB SER 18 1HB SER 18 2.207 -16.802 14.755 639 2HB SER 18 2HB SER 18 1.801 -18.431 15.278 640 HG SER 18 HG SER 18 4.128 -17.012 16.066 641 HA PRO 19 HA PRO 19 6.334 -16.223 11.687 642 1HB PRO 19 1HB PRO 19 5.143 -16.749 9.047 643 2HB PRO 19 2HB PRO 19 6.759 -17.163 9.653 644 1HG PRO 19 1HG PRO 19 4.870 -19.025 9.183 645 2HG PRO 19 2HG PRO 19 6.066 -19.207 10.479 646 1HD PRO 19 1HD PRO 19 3.202 -18.316 10.652 647 2HD PRO 19 2HD PRO 19 4.095 -19.439 11.707 648 H GLY 20 H GLY 20 6.339 -14.255 10.369 649 1HA GLY 20 1HA GLY 20 4.677 -12.759 9.092 650 2HA GLY 20 2HA GLY 20 3.777 -12.803 10.603 651 H GLY 21 H GLY 21 4.681 -11.862 12.470 652 1HA GLY 21 1HA GLY 21 6.014 -10.384 13.665 653 2HA GLY 21 2HA GLY 21 7.203 -10.470 12.369 654 H ALA 22 H ALA 22 6.392 -8.118 13.837 655 HA ALA 22 HA ALA 22 4.880 -6.510 11.958 656 1HB ALA 22 1HB ALA 22 5.229 -4.699 13.546 657 2HB ALA 22 2HB ALA 22 6.329 -5.716 14.480 658 3HB ALA 22 3HB ALA 22 4.622 -6.135 14.354 659 H ARG 23 H ARG 23 5.762 -5.373 10.331 660 HA ARG 23 HA ARG 23 8.652 -4.798 10.404 661 1HB ARG 23 1HB ARG 23 8.732 -5.122 7.988 662 2HB ARG 23 2HB ARG 23 8.132 -6.577 8.768 663 1HG ARG 23 1HG ARG 23 5.790 -5.761 8.203 664 2HG ARG 23 2HG ARG 23 6.553 -4.546 7.182 665 1HD ARG 23 1HD ARG 23 6.001 -6.350 5.750 666 2HD ARG 23 2HD ARG 23 7.730 -6.463 6.017 667 HE ARG 23 HE ARG 23 5.679 -8.228 7.149 668 1HH1 ARG 23 1HH1 ARG 23 9.067 -7.489 6.720 669 2HH1 ARG 23 2HH1 ARG 23 9.594 -9.081 7.182 670 1HH2 ARG 23 1HH2 ARG 23 6.359 -10.314 7.753 671 2HH2 ARG 23 2HH2 ARG 23 8.050 -10.682 7.781 672 H ALA 24 H ALA 24 9.263 -2.757 9.951 673 HA ALA 24 HA ALA 24 7.103 -0.789 9.674 674 1HB ALA 24 1HB ALA 24 8.493 -0.594 11.663 675 2HB ALA 24 2HB ALA 24 8.691 0.810 10.621 676 3HB ALA 24 3HB ALA 24 9.935 -0.430 10.657 677 H VAL 25 H VAL 25 6.833 0.152 7.786 678 HA VAL 25 HA VAL 25 9.109 0.423 5.931 679 HB VAL 25 HB VAL 25 7.420 0.385 4.089 680 1HG1 VAL 25 1HG1 VAL 25 6.988 -2.035 4.171 681 2HG1 VAL 25 2HG1 VAL 25 7.378 -2.046 5.890 682 3HG1 VAL 25 3HG1 VAL 25 8.633 -1.660 4.711 683 1HG2 VAL 25 1HG2 VAL 25 5.503 -0.333 6.312 684 2HG2 VAL 25 2HG2 VAL 25 5.140 -0.470 4.592 685 3HG2 VAL 25 3HG2 VAL 25 5.448 1.116 5.308 686 H SER 26 H SER 26 9.414 2.372 4.954 687 HA SER 26 HA SER 26 8.013 4.603 6.238 688 1HB SER 26 1HB SER 26 10.663 4.538 4.771 689 2HB SER 26 2HB SER 26 9.948 5.979 5.517 690 HG SER 26 HG SER 26 10.505 3.584 6.939 691 H ILE 27 H ILE 27 7.453 6.449 5.104 692 HA ILE 27 HA ILE 27 6.964 6.150 2.224 693 HB ILE 27 HB ILE 27 4.975 6.935 4.355 694 1HG1 ILE 27 1HG1 ILE 27 3.408 5.678 2.850 695 2HG1 ILE 27 2HG1 ILE 27 4.778 5.292 1.811 696 1HG2 ILE 27 1HG2 ILE 27 5.036 8.911 2.943 697 2HG2 ILE 27 2HG2 ILE 27 3.542 8.013 2.649 698 3HG2 ILE 27 3HG2 ILE 27 4.869 7.908 1.498 699 1HD1 ILE 27 1HD1 ILE 27 4.539 4.491 4.708 700 2HD1 ILE 27 2HD1 ILE 27 5.801 4.004 3.564 701 3HD1 ILE 27 3HD1 ILE 27 4.137 3.469 3.322 702 H VAL 28 H VAL 28 7.664 7.875 1.071 703 HA VAL 28 HA VAL 28 8.642 10.183 2.600 704 HB VAL 28 HB VAL 28 10.037 10.705 0.580 705 1HG1 VAL 28 1HG1 VAL 28 11.729 8.985 1.048 706 2HG1 VAL 28 2HG1 VAL 28 10.521 8.012 1.875 707 3HG1 VAL 28 3HG1 VAL 28 10.984 9.584 2.530 708 1HG2 VAL 28 1HG2 VAL 28 9.127 7.953 -0.306 709 2HG2 VAL 28 2HG2 VAL 28 10.430 8.884 -1.045 710 3HG2 VAL 28 3HG2 VAL 28 8.770 9.475 -1.115 711 H GLY 29 H GLY 29 6.894 11.479 2.751 712 1HA GLY 29 1HA GLY 29 5.454 13.144 1.976 713 2HA GLY 29 2HA GLY 29 5.948 12.784 0.336 714 H ASN 30 H ASN 30 5.064 10.931 -0.702 715 HA ASN 30 HA ASN 30 2.918 9.476 0.583 716 1HB ASN 30 1HB ASN 30 1.237 9.952 -1.115 717 2HB ASN 30 2HB ASN 30 1.757 11.456 -0.385 718 1HD2 ASN 30 2HD2 ASN 30 0.499 10.888 -2.969 719 2HD2 ASN 30 1HD2 ASN 30 1.553 11.560 -4.170 720 H GLN 31 H GLN 31 5.626 9.110 -0.673 721 HA GLN 31 HA GLN 31 4.934 7.316 -2.897 722 1HB GLN 31 1HB GLN 31 6.474 9.176 -3.422 723 2HB GLN 31 2HB GLN 31 7.591 8.616 -2.179 724 1HG GLN 31 1HG GLN 31 7.900 6.530 -3.465 725 2HG GLN 31 2HG GLN 31 6.830 7.152 -4.705 726 1HE2 GLN 31 2HE2 GLN 31 8.398 7.130 -6.291 727 2HE2 GLN 31 1HE2 GLN 31 9.699 8.272 -6.313 728 H ILE 32 H ILE 32 5.933 5.282 -3.038 729 HA ILE 32 HA ILE 32 7.487 4.174 -0.883 730 HB ILE 32 HB ILE 32 5.232 4.122 0.164 731 1HG1 ILE 32 1HG1 ILE 32 6.309 1.369 -0.571 732 2HG1 ILE 32 2HG1 ILE 32 6.910 2.382 0.734 733 1HG2 ILE 32 1HG2 ILE 32 3.870 3.938 -1.857 734 2HG2 ILE 32 2HG2 ILE 32 3.489 2.645 -0.722 735 3HG2 ILE 32 3HG2 ILE 32 4.485 2.308 -2.137 736 1HD1 ILE 32 1HD1 ILE 32 4.179 1.142 0.543 737 2HD1 ILE 32 2HD1 ILE 32 4.729 2.187 1.855 738 3HD1 ILE 32 3HD1 ILE 32 5.497 0.626 1.588 739 H ASP 33 H ASP 33 8.178 1.945 -1.419 740 HA ASP 33 HA ASP 33 7.813 1.346 -4.284 741 1HB ASP 33 1HB ASP 33 10.158 1.826 -3.363 742 2HB ASP 33 2HB ASP 33 10.034 0.293 -2.521 743 H SER 34 H SER 34 7.467 -0.778 -4.940 744 HA SER 34 HA SER 34 5.589 -2.188 -3.340 745 1HB SER 34 1HB SER 34 5.750 -3.907 -5.194 746 2HB SER 34 2HB SER 34 5.447 -2.254 -5.757 747 HG SER 34 HG SER 34 7.933 -2.277 -5.895 748 H ARG 35 H ARG 35 9.010 -2.340 -3.578 749 HA ARG 35 HA ARG 35 9.401 -5.065 -2.823 750 1HB ARG 35 1HB ARG 35 11.143 -2.706 -3.187 751 2HB ARG 35 2HB ARG 35 11.704 -3.828 -1.954 752 1HG ARG 35 1HG ARG 35 12.774 -4.455 -3.978 753 2HG ARG 35 2HG ARG 35 11.522 -5.666 -3.693 754 1HD ARG 35 1HD ARG 35 11.601 -5.000 -6.034 755 2HD ARG 35 2HD ARG 35 10.061 -4.537 -5.308 756 HE ARG 35 HE ARG 35 11.060 -2.265 -5.095 757 1HH1 ARG 35 1HH1 ARG 35 12.156 -4.430 -7.616 758 2HH1 ARG 35 2HH1 ARG 35 12.671 -3.143 -8.654 759 1HH2 ARG 35 1HH2 ARG 35 11.716 -0.587 -6.448 760 2HH2 ARG 35 2HH2 ARG 35 12.414 -0.953 -7.998 761 H GLU 36 H GLU 36 9.136 -2.064 -1.004 762 HA GLU 36 HA GLU 36 9.935 -3.002 1.501 763 1HB GLU 36 1HB GLU 36 7.867 -0.877 0.886 764 2HB GLU 36 2HB GLU 36 8.698 -1.096 2.425 765 1HG GLU 36 1HG GLU 36 9.947 -0.282 -0.195 766 2HG GLU 36 2HG GLU 36 9.688 0.741 1.218 767 H LEU 37 H LEU 37 6.761 -3.004 -0.035 768 HA LEU 37 HA LEU 37 5.397 -4.082 2.237 769 1HB LEU 37 1HB LEU 37 4.535 -3.813 -0.662 770 2HB LEU 37 2HB LEU 37 3.480 -4.310 0.651 771 HG LEU 37 HG LEU 37 4.811 -1.616 0.378 772 1HD1 LEU 37 1HD1 LEU 37 1.948 -2.500 0.007 773 2HD1 LEU 37 2HD1 LEU 37 3.037 -1.858 -1.223 774 3HD1 LEU 37 3HD1 LEU 37 2.470 -0.813 0.093 775 1HD2 LEU 37 1HD2 LEU 37 3.445 -0.966 2.320 776 2HD2 LEU 37 2HD2 LEU 37 4.601 -2.242 2.708 777 3HD2 LEU 37 3HD2 LEU 37 2.894 -2.641 2.479 778 H PHE 38 H PHE 38 6.361 -5.364 -0.919 779 HA PHE 38 HA PHE 38 5.540 -8.066 -0.136 780 1HB PHE 38 1HB PHE 38 6.524 -7.018 -2.812 781 2HB PHE 38 2HB PHE 38 5.814 -8.604 -2.518 782 HD1 PHE 38 HD1 PHE 38 3.415 -8.646 -1.555 783 HD2 PHE 38 HD2 PHE 38 5.122 -5.250 -3.522 784 HE1 PHE 38 HE1 PHE 38 1.156 -7.752 -1.977 785 HE2 PHE 38 HE2 PHE 38 2.848 -4.383 -3.954 786 HZ PHE 38 HZ PHE 38 0.866 -5.636 -3.185 787 H THR 39 H THR 39 7.885 -6.857 1.074 788 HA THR 39 HA THR 39 10.271 -7.765 -0.081 789 HB THR 39 HB THR 39 10.374 -6.097 1.636 790 HG1 THR 39 HG1 THR 39 11.905 -8.179 1.602 791 1HG2 THR 39 1HG2 THR 39 8.377 -6.743 2.928 792 2HG2 THR 39 2HG2 THR 39 9.785 -6.537 3.967 793 3HG2 THR 39 3HG2 THR 39 9.250 -8.164 3.526 794 H VAL 40 H VAL 40 7.983 -9.345 2.087 795 HA VAL 40 HA VAL 40 9.561 -11.825 1.848 796 HB VAL 40 HB VAL 40 8.636 -12.560 4.028 797 1HG1 VAL 40 1HG1 VAL 40 10.842 -11.543 3.899 798 2HG1 VAL 40 2HG1 VAL 40 10.059 -11.148 5.430 799 3HG1 VAL 40 3HG1 VAL 40 10.141 -9.943 4.138 800 1HG2 VAL 40 1HG2 VAL 40 7.543 -9.744 4.162 801 2HG2 VAL 40 2HG2 VAL 40 7.629 -10.860 5.519 802 3HG2 VAL 40 3HG2 VAL 40 6.608 -11.232 4.143 803 H ASP 41 H ASP 41 6.249 -10.600 2.391 804 HA ASP 41 HA ASP 41 5.084 -13.062 1.392 805 1HB ASP 41 1HB ASP 41 4.213 -11.449 3.294 806 2HB ASP 41 2HB ASP 41 3.526 -10.541 1.943 807 H ARG 42 H ARG 42 3.012 -12.330 -0.147 808 HA ARG 42 HA ARG 42 4.104 -10.682 -2.320 809 1HB ARG 42 1HB ARG 42 4.538 -13.085 -2.808 810 2HB ARG 42 2HB ARG 42 2.804 -13.386 -2.751 811 1HG ARG 42 1HG ARG 42 2.449 -11.922 -4.654 812 2HG ARG 42 2HG ARG 42 4.150 -11.475 -4.669 813 1HD ARG 42 1HD ARG 42 3.138 -14.288 -5.107 814 2HD ARG 42 2HD ARG 42 3.512 -13.143 -6.402 815 HE ARG 42 HE ARG 42 5.777 -13.256 -4.813 816 1HH1 ARG 42 1HH1 ARG 42 3.899 -15.483 -6.739 817 2HH1 ARG 42 2HH1 ARG 42 5.262 -16.471 -7.163 818 1HH2 ARG 42 1HH2 ARG 42 7.587 -14.519 -5.411 819 2HH2 ARG 42 2HH2 ARG 42 7.360 -15.891 -6.454 820 H GLU 43 H GLU 43 1.816 -10.962 -0.136 821 HA GLU 43 HA GLU 43 -0.140 -9.489 -1.715 822 1HB GLU 43 1HB GLU 43 -0.832 -11.870 -1.818 823 2HB GLU 43 2HB GLU 43 -0.827 -11.937 -0.069 824 1HG GLU 43 1HG GLU 43 -2.661 -10.286 -0.023 825 2HG GLU 43 2HG GLU 43 -2.670 -10.265 -1.801 826 H ILE 44 H ILE 44 -1.118 -7.915 -0.519 827 HA ILE 44 HA ILE 44 -0.508 -7.811 2.358 828 HB ILE 44 HB ILE 44 -0.546 -5.498 0.391 829 1HG1 ILE 44 1HG1 ILE 44 1.508 -6.851 0.265 830 2HG1 ILE 44 2HG1 ILE 44 1.828 -5.251 0.907 831 1HG2 ILE 44 1HG2 ILE 44 0.104 -4.085 2.284 832 2HG2 ILE 44 2HG2 ILE 44 -0.061 -5.455 3.376 833 3HG2 ILE 44 3HG2 ILE 44 -1.482 -4.806 2.553 834 1HD1 ILE 44 1HD1 ILE 44 3.090 -6.936 2.087 835 2HD1 ILE 44 2HD1 ILE 44 1.609 -7.785 2.515 836 3HD1 ILE 44 3HD1 ILE 44 1.914 -6.181 3.159 837 H VAL 45 H VAL 45 -2.144 -7.092 3.691 838 HA VAL 45 HA VAL 45 -4.811 -6.943 2.462 839 HB VAL 45 HB VAL 45 -4.136 -7.399 5.386 840 1HG1 VAL 45 1HG1 VAL 45 -6.467 -8.148 5.546 841 2HG1 VAL 45 2HG1 VAL 45 -6.707 -7.775 3.844 842 3HG1 VAL 45 3HG1 VAL 45 -6.361 -6.474 4.983 843 1HG2 VAL 45 1HG2 VAL 45 -4.685 -9.771 4.985 844 2HG2 VAL 45 2HG2 VAL 45 -3.266 -9.256 4.062 845 3HG2 VAL 45 3HG2 VAL 45 -4.823 -9.425 3.261 846 H ILE 46 H ILE 46 -6.168 -5.203 2.872 847 HA ILE 46 HA ILE 46 -4.972 -2.900 4.275 848 HB ILE 46 HB ILE 46 -6.262 -2.703 1.537 849 1HG1 ILE 46 1HG1 ILE 46 -3.349 -2.470 2.353 850 2HG1 ILE 46 2HG1 ILE 46 -4.066 -3.732 1.337 851 1HG2 ILE 46 1HG2 ILE 46 -4.876 -0.582 3.199 852 2HG2 ILE 46 2HG2 ILE 46 -6.616 -0.761 3.022 853 3HG2 ILE 46 3HG2 ILE 46 -5.630 -0.350 1.617 854 1HD1 ILE 46 1HD1 ILE 46 -3.734 -0.817 0.652 855 2HD1 ILE 46 2HD1 ILE 46 -4.590 -1.988 -0.347 856 3HD1 ILE 46 3HD1 ILE 46 -2.867 -2.193 -0.038 857 H ALA 47 H ALA 47 -6.423 -2.600 5.896 858 HA ALA 47 HA ALA 47 -9.232 -3.182 5.505 859 1HB ALA 47 1HB ALA 47 -8.052 -3.865 7.564 860 2HB ALA 47 2HB ALA 47 -9.414 -2.799 7.899 861 3HB ALA 47 3HB ALA 47 -7.765 -2.171 7.959 862 H HIS 48 H HIS 48 -10.816 -1.670 5.306 863 HA HIS 48 HA HIS 48 -10.215 1.160 5.767 864 1HB HIS 48 1HB HIS 48 -9.761 0.774 3.394 865 2HB HIS 48 2HB HIS 48 -11.346 0.057 3.183 866 HD1 HIS 48 HD1 HIS 48 -9.841 3.385 4.216 867 HD2 HIS 48 HD2 HIS 48 -13.251 1.845 2.406 868 HE1 HIS 48 HE1 HIS 48 -11.134 5.382 3.439 869 HE2 HIS 48 HE2 HIS 48 -13.325 4.432 2.630 870 H GLY 49 H GLY 49 -11.675 1.066 7.583 871 1HA GLY 49 1HA GLY 49 -13.734 1.614 8.389 872 2HA GLY 49 2HA GLY 49 -14.448 1.295 6.805 873 H ASP 50 H ASP 50 -15.783 -0.358 6.833 874 HA ASP 50 HA ASP 50 -15.315 -2.561 8.721 875 1HB ASP 50 1HB ASP 50 -17.744 -1.713 7.108 876 2HB ASP 50 2HB ASP 50 -17.649 -3.289 7.890 877 H ASP 51 H ASP 51 -14.932 -1.720 5.426 878 HA ASP 51 HA ASP 51 -15.032 -4.496 4.520 879 1HB ASP 51 1HB ASP 51 -16.092 -2.493 3.273 880 2HB ASP 51 2HB ASP 51 -14.451 -2.035 2.859 881 H ARG 52 H ARG 52 -13.187 -5.225 3.104 882 HA ARG 52 HA ARG 52 -10.599 -4.075 3.846 883 1HB ARG 52 1HB ARG 52 -11.387 -6.965 4.353 884 2HB ARG 52 2HB ARG 52 -9.718 -6.391 4.320 885 1HG ARG 52 1HG ARG 52 -10.233 -4.882 6.207 886 2HG ARG 52 2HG ARG 52 -11.872 -5.541 6.256 887 1HD ARG 52 1HD ARG 52 -10.943 -7.795 6.656 888 2HD ARG 52 2HD ARG 52 -9.305 -7.109 6.660 889 HE ARG 52 HE ARG 52 -11.018 -5.852 8.588 890 1HH1 ARG 52 1HH1 ARG 52 -9.011 -8.687 8.023 891 2HH1 ARG 52 2HH1 ARG 52 -8.779 -8.995 9.705 892 1HH2 ARG 52 1HH2 ARG 52 -10.697 -6.290 10.804 893 2HH2 ARG 52 2HH2 ARG 52 -9.737 -7.646 11.292 894 H TYR 53 H TYR 53 -9.018 -4.370 2.363 895 HA TYR 53 HA TYR 53 -9.713 -5.788 -0.140 896 1HB TYR 53 1HB TYR 53 -8.080 -3.243 0.186 897 2HB TYR 53 2HB TYR 53 -8.458 -4.043 -1.342 898 HD1 TYR 53 HD1 TYR 53 -10.070 -2.360 1.572 899 HD2 TYR 53 HD2 TYR 53 -10.408 -3.471 -2.509 900 HE1 TYR 53 HE1 TYR 53 -12.107 -1.014 1.388 901 HE2 TYR 53 HE2 TYR 53 -12.433 -2.110 -2.723 902 HH TYR 53 HH TYR 53 -14.190 -1.236 -1.272 903 H ARG 54 H ARG 54 -7.590 -6.096 -1.451 904 HA ARG 54 HA ARG 54 -5.296 -6.714 0.241 905 1HB ARG 54 1HB ARG 54 -6.688 -8.709 -1.569 906 2HB ARG 54 2HB ARG 54 -5.052 -8.926 -0.949 907 1HG ARG 54 1HG ARG 54 -5.992 -8.720 1.368 908 2HG ARG 54 2HG ARG 54 -7.600 -8.799 0.649 909 1HD ARG 54 1HD ARG 54 -5.469 -10.903 0.281 910 2HD ARG 54 2HD ARG 54 -6.706 -10.983 1.525 911 HE ARG 54 HE ARG 54 -8.161 -10.713 -0.732 912 1HH1 ARG 54 1HH1 ARG 54 -5.556 -12.899 0.135 913 2HH1 ARG 54 2HH1 ARG 54 -6.191 -14.195 -0.833 914 1HH2 ARG 54 1HH2 ARG 54 -8.964 -12.402 -1.981 915 2HH2 ARG 54 2HH2 ARG 54 -8.105 -13.921 -2.031 916 H LEU 55 H LEU 55 -3.747 -5.532 -0.644 917 HA LEU 55 HA LEU 55 -3.511 -5.091 -3.487 918 1HB LEU 55 1HB LEU 55 -2.784 -3.401 -1.845 919 2HB LEU 55 2HB LEU 55 -1.562 -4.518 -1.252 920 HG LEU 55 HG LEU 55 -0.455 -4.454 -3.480 921 1HD1 LEU 55 1HD1 LEU 55 -1.079 -2.709 -5.103 922 2HD1 LEU 55 2HD1 LEU 55 -2.484 -2.298 -4.110 923 3HD1 LEU 55 3HD1 LEU 55 -2.381 -3.873 -4.879 924 1HD2 LEU 55 1HD2 LEU 55 0.509 -2.218 -3.235 925 2HD2 LEU 55 2HD2 LEU 55 0.340 -3.042 -1.684 926 3HD2 LEU 55 3HD2 LEU 55 -0.800 -1.772 -2.140 927 H ARG 56 H ARG 56 -2.846 -6.730 -4.760 928 HA ARG 56 HA ARG 56 -1.102 -8.784 -3.573 929 1HB ARG 56 1HB ARG 56 -3.526 -9.375 -4.217 930 2HB ARG 56 2HB ARG 56 -3.003 -9.219 -5.887 931 1HG ARG 56 1HG ARG 56 -1.344 -10.984 -5.524 932 2HG ARG 56 2HG ARG 56 -1.881 -11.151 -3.868 933 1HD ARG 56 1HD ARG 56 -4.210 -11.597 -4.852 934 2HD ARG 56 2HD ARG 56 -3.381 -11.796 -6.398 935 HE ARG 56 HE ARG 56 -2.290 -13.374 -4.238 936 1HH1 ARG 56 1HH1 ARG 56 -4.553 -13.310 -6.922 937 2HH1 ARG 56 2HH1 ARG 56 -4.747 -15.041 -6.942 938 1HH2 ARG 56 1HH2 ARG 56 -2.568 -15.620 -4.270 939 2HH2 ARG 56 2HH2 ARG 56 -3.619 -16.351 -5.439 940 H LEU 57 H LEU 57 0.677 -9.456 -4.666 941 HA LEU 57 HA LEU 57 1.369 -8.002 -7.139 942 1HB LEU 57 1HB LEU 57 2.851 -7.535 -5.206 943 2HB LEU 57 2HB LEU 57 3.183 -9.254 -5.056 944 HG LEU 57 HG LEU 57 4.214 -9.187 -7.346 945 1HD1 LEU 57 1HD1 LEU 57 4.844 -6.984 -8.257 946 2HD1 LEU 57 2HD1 LEU 57 3.845 -6.203 -7.033 947 3HD1 LEU 57 3HD1 LEU 57 3.100 -7.236 -8.256 948 1HD2 LEU 57 1HD2 LEU 57 5.443 -7.322 -5.301 949 2HD2 LEU 57 2HD2 LEU 57 6.298 -8.122 -6.622 950 3HD2 LEU 57 3HD2 LEU 57 5.592 -9.081 -5.321 951 H THR 58 H THR 58 1.944 -9.125 -8.908 952 HA THR 58 HA THR 58 1.439 -11.960 -9.039 953 HB THR 58 HB THR 58 1.958 -11.764 -11.427 954 HG1 THR 58 HG1 THR 58 2.880 -9.226 -10.585 955 1HG2 THR 58 1HG2 THR 58 -0.310 -11.150 -10.717 956 2HG2 THR 58 2HG2 THR 58 0.196 -10.175 -12.086 957 3HG2 THR 58 3HG2 THR 58 0.210 -9.488 -10.459 958 H SER 59 H SER 59 3.192 -13.184 -10.512 959 HA SER 59 HA SER 59 5.412 -13.766 -9.007 960 1HB SER 59 1HB SER 59 6.411 -14.656 -11.156 961 2HB SER 59 2HB SER 59 4.773 -15.213 -10.827 962 HG SER 59 HG SER 59 3.987 -13.758 -12.327 963 H GLN 60 H GLN 60 5.018 -11.122 -11.267 964 HA GLN 60 HA GLN 60 6.945 -9.483 -10.145 965 1HB GLN 60 1HB GLN 60 8.602 -11.140 -10.995 966 2HB GLN 60 2HB GLN 60 8.017 -10.874 -12.626 967 1HG GLN 60 1HG GLN 60 10.104 -9.665 -12.162 968 2HG GLN 60 2HG GLN 60 8.783 -8.586 -12.571 969 1HE2 GLN 60 2HE2 GLN 60 9.775 -6.838 -11.566 970 2HE2 GLN 60 1HE2 GLN 60 9.910 -6.702 -9.842 971 H ASN 61 H ASN 61 5.028 -10.455 -12.795 972 HA ASN 61 HA ASN 61 5.386 -8.532 -14.736 973 1HB ASN 61 1HB ASN 61 2.804 -9.892 -13.899 974 2HB ASN 61 2HB ASN 61 2.941 -8.877 -15.330 975 1HD2 ASN 61 2HD2 ASN 61 2.293 -11.694 -15.120 976 2HD2 ASN 61 1HD2 ASN 61 3.485 -12.555 -16.052 977 H LYS 62 H LYS 62 2.733 -8.330 -12.346 978 HA LYS 62 HA LYS 62 3.237 -5.502 -11.939 979 1HB LYS 62 1HB LYS 62 0.967 -4.799 -12.642 980 2HB LYS 62 2HB LYS 62 1.924 -5.398 -13.978 981 1HG LYS 62 1HG LYS 62 0.743 -7.565 -13.821 982 2HG LYS 62 2HG LYS 62 -0.258 -6.900 -12.530 983 1HD LYS 62 1HD LYS 62 -1.102 -5.198 -14.056 984 2HD LYS 62 2HD LYS 62 -0.077 -5.819 -15.350 985 1HE LYS 62 1HE LYS 62 -2.269 -6.659 -15.724 986 2HE LYS 62 2HE LYS 62 -1.314 -8.009 -15.113 987 1HZ LYS 62 1HZ LYS 62 -3.130 -6.335 -13.468 988 2HZ LYS 62 2HZ LYS 62 -2.300 -7.711 -12.962 989 3HZ LYS 62 3HZ LYS 62 -3.532 -7.849 -14.106 990 H LEU 63 H LEU 63 0.906 -4.755 -10.773 991 HA LEU 63 HA LEU 63 0.230 -6.775 -8.779 992 1HB LEU 63 1HB LEU 63 0.364 -5.143 -6.933 993 2HB LEU 63 2HB LEU 63 1.933 -5.423 -7.662 994 HG LEU 63 HG LEU 63 0.218 -3.028 -8.340 995 1HD1 LEU 63 1HD1 LEU 63 1.550 -1.731 -6.769 996 2HD1 LEU 63 2HD1 LEU 63 2.352 -3.200 -6.231 997 3HD1 LEU 63 3HD1 LEU 63 0.619 -2.998 -5.946 998 1HD2 LEU 63 1HD2 LEU 63 3.174 -3.589 -8.680 999 2HD2 LEU 63 2HD2 LEU 63 2.375 -2.057 -9.034 1000 3HD2 LEU 63 3HD2 LEU 63 1.972 -3.500 -9.968 1001 H ILE 64 H ILE 64 -1.753 -6.099 -7.554 1002 HA ILE 64 HA ILE 64 -3.534 -4.304 -8.986 1003 HB ILE 64 HB ILE 64 -5.259 -6.185 -9.251 1004 1HG1 ILE 64 1HG1 ILE 64 -4.150 -8.446 -9.828 1005 2HG1 ILE 64 2HG1 ILE 64 -2.759 -7.851 -8.931 1006 1HG2 ILE 64 1HG2 ILE 64 -4.436 -6.799 -11.473 1007 2HG2 ILE 64 2HG2 ILE 64 -2.875 -6.118 -11.083 1008 3HG2 ILE 64 3HG2 ILE 64 -4.298 -5.070 -11.153 1009 1HD1 ILE 64 1HD1 ILE 64 -4.188 -9.309 -7.591 1010 2HD1 ILE 64 2HD1 ILE 64 -5.527 -8.183 -7.793 1011 3HD1 ILE 64 3HD1 ILE 64 -4.080 -7.696 -6.913 1012 H LEU 65 H LEU 65 -5.800 -4.495 -7.994 1013 HA LEU 65 HA LEU 65 -5.540 -4.918 -5.096 1014 1HB LEU 65 1HB LEU 65 -5.821 -2.522 -5.733 1015 2HB LEU 65 2HB LEU 65 -7.318 -2.943 -6.546 1016 HG LEU 65 HG LEU 65 -8.255 -3.673 -4.345 1017 1HD1 LEU 65 1HD1 LEU 65 -5.706 -2.529 -3.243 1018 2HD1 LEU 65 2HD1 LEU 65 -6.173 -4.226 -3.225 1019 3HD1 LEU 65 3HD1 LEU 65 -7.093 -3.050 -2.278 1020 1HD2 LEU 65 1HD2 LEU 65 -8.705 -1.416 -5.209 1021 2HD2 LEU 65 2HD2 LEU 65 -7.260 -0.834 -4.392 1022 3HD2 LEU 65 3HD2 LEU 65 -8.613 -1.444 -3.444 1023 H THR 66 H THR 66 -6.738 -6.643 -4.439 1024 HA THR 66 HA THR 66 -9.389 -7.045 -5.639 1025 HB THR 66 HB THR 66 -7.743 -8.585 -6.693 1026 HG1 THR 66 HG1 THR 66 -8.834 -10.573 -5.373 1027 1HG2 THR 66 1HG2 THR 66 -7.214 -9.557 -3.872 1028 2HG2 THR 66 2HG2 THR 66 -6.088 -8.657 -4.886 1029 3HG2 THR 66 3HG2 THR 66 -6.585 -10.279 -5.361 1030 H LYS 67 H LYS 67 -10.466 -8.953 -4.312 1031 HA LYS 67 HA LYS 67 -9.944 -8.604 -1.428 1032 1HB LYS 67 1HB LYS 67 -12.642 -8.465 -2.808 1033 2HB LYS 67 2HB LYS 67 -12.442 -8.656 -1.080 1034 1HG LYS 67 1HG LYS 67 -11.328 -6.510 -0.942 1035 2HG LYS 67 2HG LYS 67 -11.477 -6.295 -2.693 1036 1HD LYS 67 1HD LYS 67 -13.207 -5.057 -1.419 1037 2HD LYS 67 2HD LYS 67 -13.905 -6.289 -2.491 1038 1HE LYS 67 1HE LYS 67 -14.140 -7.817 -0.591 1039 2HE LYS 67 2HE LYS 67 -13.437 -6.598 0.476 1040 1HZ LYS 67 1HZ LYS 67 -15.868 -6.709 0.548 1041 2HZ LYS 67 2HZ LYS 67 -15.928 -6.188 -1.059 1042 3HZ LYS 67 3HZ LYS 67 -15.278 -5.184 0.134 Start of MODEL 17 1 1H MET 1 1H MET 1 -29.722 60.052 28.251 2 2H MET 1 2H MET 1 -28.196 60.511 27.695 3 3H MET 1 3H MET 1 -28.334 59.685 29.166 4 HA MET 1 HA MET 1 -29.156 57.734 28.049 5 1HB MET 1 1HB MET 1 -28.642 59.371 25.536 6 2HB MET 1 2HB MET 1 -28.946 57.633 25.550 7 1HG MET 1 1HG MET 1 -31.176 58.024 26.510 8 2HG MET 1 2HG MET 1 -30.872 59.764 26.451 9 1HE MET 1 1HE MET 1 -33.481 59.300 23.593 10 2HE MET 1 2HE MET 1 -33.128 60.041 25.145 11 3HE MET 1 3HE MET 1 -33.429 58.308 25.040 12 H MET 2 H MET 2 -27.542 56.436 28.579 13 HA MET 2 HA MET 2 -24.827 57.024 27.579 14 1HB MET 2 1HB MET 2 -25.624 55.665 30.150 15 2HB MET 2 2HB MET 2 -23.971 55.822 29.568 16 1HG MET 2 1HG MET 2 -24.174 58.287 29.680 17 2HG MET 2 2HG MET 2 -25.827 58.107 30.288 18 1HE MET 2 1HE MET 2 -22.764 55.817 31.198 19 2HE MET 2 2HE MET 2 -22.109 56.651 32.614 20 3HE MET 2 3HE MET 2 -22.027 57.397 31.014 21 H THR 3 H THR 3 -24.042 55.536 26.211 22 HA THR 3 HA THR 3 -24.810 52.747 26.445 23 HB THR 3 HB THR 3 -25.255 54.234 23.843 24 HG1 THR 3 HG1 THR 3 -26.989 53.597 25.964 25 1HG2 THR 3 1HG2 THR 3 -25.914 51.420 24.718 26 2HG2 THR 3 2HG2 THR 3 -24.696 51.884 23.530 27 3HG2 THR 3 3HG2 THR 3 -26.409 52.159 23.188 28 H ALA 4 H ALA 4 -23.294 51.344 25.529 29 HA ALA 4 HA ALA 4 -21.161 52.409 23.867 30 1HB ALA 4 1HB ALA 4 -20.356 52.854 26.117 31 2HB ALA 4 2HB ALA 4 -19.370 51.612 25.337 32 3HB ALA 4 3HB ALA 4 -20.568 51.163 26.550 33 H SER 5 H SER 5 -21.134 50.989 22.226 34 HA SER 5 HA SER 5 -21.871 48.218 22.614 35 1HB SER 5 1HB SER 5 -21.402 48.090 20.126 36 2HB SER 5 2HB SER 5 -22.619 49.288 20.590 37 HG SER 5 HG SER 5 -19.885 49.810 20.078 38 H ASP 6 H ASP 6 -20.412 46.943 23.584 39 HA ASP 6 HA ASP 6 -17.618 47.363 23.550 40 1HB ASP 6 1HB ASP 6 -18.723 46.181 25.384 41 2HB ASP 6 2HB ASP 6 -19.170 44.880 24.292 42 H ARG 7 H ARG 7 -16.069 46.597 22.179 43 HA ARG 7 HA ARG 7 -16.968 45.247 19.783 44 1HB ARG 7 1HB ARG 7 -14.305 46.405 20.597 45 2HB ARG 7 2HB ARG 7 -14.511 45.497 19.103 46 1HG ARG 7 1HG ARG 7 -14.583 47.875 18.634 47 2HG ARG 7 2HG ARG 7 -16.172 47.178 18.346 48 1HD ARG 7 1HD ARG 7 -16.976 48.025 20.450 49 2HD ARG 7 2HD ARG 7 -15.365 48.620 20.872 50 HE ARG 7 HE ARG 7 -16.253 49.761 18.415 51 1HH1 ARG 7 1HH1 ARG 7 -16.809 49.898 21.859 52 2HH1 ARG 7 2HH1 ARG 7 -17.252 51.583 21.849 53 1HH2 ARG 7 1HH2 ARG 7 -16.838 51.965 18.388 54 2HH2 ARG 7 2HH2 ARG 7 -17.265 52.761 19.863 55 H LEU 8 H LEU 8 -17.576 43.291 20.835 56 HA LEU 8 HA LEU 8 -15.602 41.534 21.955 57 1HB LEU 8 1HB LEU 8 -18.236 41.483 22.113 58 2HB LEU 8 2HB LEU 8 -18.142 40.549 20.630 59 HG LEU 8 HG LEU 8 -16.968 39.802 23.314 60 1HD1 LEU 8 1HD1 LEU 8 -19.211 38.574 21.717 61 2HD1 LEU 8 2HD1 LEU 8 -19.397 39.576 23.144 62 3HD1 LEU 8 3HD1 LEU 8 -18.610 38.008 23.279 63 1HD2 LEU 8 1HD2 LEU 8 -16.881 38.271 20.705 64 2HD2 LEU 8 2HD2 LEU 8 -16.372 37.637 22.271 65 3HD2 LEU 8 3HD2 LEU 8 -15.503 38.983 21.539 66 H GLY 9 H GLY 9 -13.906 40.940 20.760 67 1HA GLY 9 1HA GLY 9 -13.868 40.979 17.916 68 2HA GLY 9 2HA GLY 9 -12.609 40.356 18.957 69 H ALA 10 H ALA 10 -13.388 39.232 16.492 70 HA ALA 10 HA ALA 10 -13.964 36.523 17.423 71 1HB ALA 10 1HB ALA 10 -15.590 36.095 15.653 72 2HB ALA 10 2HB ALA 10 -15.508 37.795 15.160 73 3HB ALA 10 3HB ALA 10 -16.155 37.374 16.746 74 H ASP 11 H ASP 11 -11.819 36.010 16.965 75 HA ASP 11 HA ASP 11 -10.875 36.339 14.223 76 1HB ASP 11 1HB ASP 11 -8.680 35.660 15.038 77 2HB ASP 11 2HB ASP 11 -9.301 36.962 16.040 78 HA PRO 12 HA PRO 12 -12.174 32.150 13.513 79 1HB PRO 12 1HB PRO 12 -11.304 31.846 10.968 80 2HB PRO 12 2HB PRO 12 -12.665 32.904 11.373 81 1HG PRO 12 1HG PRO 12 -9.799 33.609 10.837 82 2HG PRO 12 2HG PRO 12 -11.257 34.434 10.272 83 1HD PRO 12 1HD PRO 12 -9.746 35.273 12.404 84 2HD PRO 12 2HD PRO 12 -11.475 35.616 12.232 85 H THR 13 H THR 13 -11.159 30.507 14.487 86 HA THR 13 HA THR 13 -8.279 30.144 14.148 87 HB THR 13 HB THR 13 -9.107 30.046 16.447 88 HG1 THR 13 HG1 THR 13 -7.314 28.716 15.788 89 1HG2 THR 13 1HG2 THR 13 -10.697 27.640 15.546 90 2HG2 THR 13 2HG2 THR 13 -11.368 29.206 16.009 91 3HG2 THR 13 3HG2 THR 13 -10.534 28.207 17.208 92 H GLN 14 H GLN 14 -7.444 28.674 12.853 93 HA GLN 14 HA GLN 14 -8.627 26.129 12.361 94 1HB GLN 14 1HB GLN 14 -9.978 27.470 10.792 95 2HB GLN 14 2HB GLN 14 -8.503 28.108 10.070 96 1HG GLN 14 1HG GLN 14 -7.877 25.820 9.380 97 2HG GLN 14 2HG GLN 14 -9.410 25.245 10.028 98 1HE2 GLN 14 2HE2 GLN 14 -10.064 24.478 8.012 99 2HE2 GLN 14 1HE2 GLN 14 -10.563 25.543 6.728 100 H ALA 15 H ALA 15 -7.061 24.705 11.838 101 HA ALA 15 HA ALA 15 -4.393 25.763 11.147 102 1HB ALA 15 1HB ALA 15 -4.996 23.289 12.754 103 2HB ALA 15 2HB ALA 15 -4.487 24.828 13.417 104 3HB ALA 15 3HB ALA 15 -3.399 23.916 12.359 105 H ALA 16 H ALA 16 -3.097 24.535 9.733 106 HA ALA 16 HA ALA 16 -4.617 22.822 7.903 107 1HB ALA 16 1HB ALA 16 -3.435 24.729 6.928 108 2HB ALA 16 2HB ALA 16 -2.784 23.216 6.318 109 3HB ALA 16 3HB ALA 16 -1.900 24.103 7.552 110 H SER 17 H SER 17 -4.417 20.713 8.041 111 HA SER 17 HA SER 17 -2.603 19.436 9.807 112 1HB SER 17 1HB SER 17 -4.231 18.173 7.575 113 2HB SER 17 2HB SER 17 -3.549 17.343 8.962 114 HG SER 17 HG SER 17 -4.981 18.373 10.278 115 H SER 18 H SER 18 -0.497 19.937 9.293 116 HA SER 18 HA SER 18 0.597 19.859 6.685 117 1HB SER 18 1HB SER 18 2.040 19.679 9.359 118 2HB SER 18 2HB SER 18 2.726 20.204 7.826 119 HG SER 18 HG SER 18 0.717 21.754 8.089 120 HA PRO 19 HA PRO 19 0.787 15.375 6.483 121 1HB PRO 19 1HB PRO 19 1.930 15.199 4.018 122 2HB PRO 19 2HB PRO 19 0.232 15.600 4.251 123 1HG PRO 19 1HG PRO 19 2.549 17.438 3.728 124 2HG PRO 19 2HG PRO 19 0.910 17.455 3.011 125 1HD PRO 19 1HD PRO 19 1.630 19.115 5.025 126 2HD PRO 19 2HD PRO 19 -0.011 18.504 4.850 127 H GLY 20 H GLY 20 2.311 13.886 7.017 128 1HA GLY 20 1HA GLY 20 4.927 14.722 7.796 129 2HA GLY 20 2HA GLY 20 4.307 13.081 7.795 130 H GLY 21 H GLY 21 6.590 15.003 6.498 131 1HA GLY 21 1HA GLY 21 6.727 14.418 3.777 132 2HA GLY 21 2HA GLY 21 8.110 14.743 4.807 133 H ALA 22 H ALA 22 8.955 12.889 6.082 134 HA ALA 22 HA ALA 22 8.539 10.320 4.705 135 1HB ALA 22 1HB ALA 22 10.956 11.349 6.182 136 2HB ALA 22 2HB ALA 22 10.822 11.152 4.444 137 3HB ALA 22 3HB ALA 22 10.798 9.737 5.498 138 H ARG 23 H ARG 23 7.528 8.822 5.904 139 HA ARG 23 HA ARG 23 7.435 9.178 8.826 140 1HB ARG 23 1HB ARG 23 5.055 8.990 8.900 141 2HB ARG 23 2HB ARG 23 5.396 10.220 7.689 142 1HG ARG 23 1HG ARG 23 5.078 8.544 5.923 143 2HG ARG 23 2HG ARG 23 4.689 7.334 7.153 144 1HD ARG 23 1HD ARG 23 2.598 8.070 6.379 145 2HD ARG 23 2HD ARG 23 2.836 8.960 7.887 146 HE ARG 23 HE ARG 23 3.672 10.801 6.281 147 1HH1 ARG 23 1HH1 ARG 23 1.126 8.509 5.614 148 2HH1 ARG 23 2HH1 ARG 23 0.290 9.536 4.501 149 1HH2 ARG 23 1HH2 ARG 23 2.574 12.190 4.778 150 2HH2 ARG 23 2HH2 ARG 23 1.106 11.620 4.022 151 H ALA 24 H ALA 24 6.916 7.255 9.984 152 HA ALA 24 HA ALA 24 7.520 4.820 8.436 153 1HB ALA 24 1HB ALA 24 9.076 5.363 10.249 154 2HB ALA 24 2HB ALA 24 8.237 3.856 10.549 155 3HB ALA 24 3HB ALA 24 7.764 5.316 11.418 156 H VAL 25 H VAL 25 5.897 3.525 7.988 157 HA VAL 25 HA VAL 25 3.604 3.321 9.845 158 HB VAL 25 HB VAL 25 2.240 2.544 7.887 159 1HG1 VAL 25 1HG1 VAL 25 3.452 5.315 7.693 160 2HG1 VAL 25 2HG1 VAL 25 2.055 4.834 8.664 161 3HG1 VAL 25 3HG1 VAL 25 1.952 4.798 6.906 162 1HG2 VAL 25 1HG2 VAL 25 3.983 1.813 6.408 163 2HG2 VAL 25 2HG2 VAL 25 4.662 3.446 6.312 164 3HG2 VAL 25 3HG2 VAL 25 3.070 3.102 5.622 165 H SER 26 H SER 26 2.916 1.296 10.393 166 HA SER 26 HA SER 26 4.985 -0.741 10.059 167 1HB SER 26 1HB SER 26 3.823 -1.850 12.021 168 2HB SER 26 2HB SER 26 4.559 -0.284 12.360 169 HG SER 26 HG SER 26 1.837 -0.506 11.605 170 H ILE 27 H ILE 27 4.561 -2.854 9.612 171 HA ILE 27 HA ILE 27 1.937 -3.526 8.415 172 HB ILE 27 HB ILE 27 4.704 -4.092 7.391 173 1HG1 ILE 27 1HG1 ILE 27 3.641 -3.773 5.195 174 2HG1 ILE 27 2HG1 ILE 27 2.075 -3.574 5.959 175 1HG2 ILE 27 1HG2 ILE 27 3.879 -6.342 7.800 176 2HG2 ILE 27 2HG2 ILE 27 3.925 -6.019 6.055 177 3HG2 ILE 27 3HG2 ILE 27 2.388 -5.977 6.924 178 1HD1 ILE 27 1HD1 ILE 27 2.880 -1.560 7.053 179 2HD1 ILE 27 2HD1 ILE 27 3.064 -1.459 5.301 180 3HD1 ILE 27 3HD1 ILE 27 4.463 -1.776 6.310 181 H VAL 28 H VAL 28 0.985 -5.232 9.341 182 HA VAL 28 HA VAL 28 2.585 -6.894 11.183 183 HB VAL 28 HB VAL 28 0.506 -7.049 12.646 184 1HG1 VAL 28 1HG1 VAL 28 0.854 -4.862 13.730 185 2HG1 VAL 28 2HG1 VAL 28 1.739 -4.308 12.313 186 3HG1 VAL 28 3HG1 VAL 28 2.393 -5.631 13.294 187 1HG2 VAL 28 1HG2 VAL 28 -1.148 -6.326 11.014 188 2HG2 VAL 28 2HG2 VAL 28 -0.368 -4.745 10.901 189 3HG2 VAL 28 3HG2 VAL 28 -1.163 -5.238 12.406 190 H GLY 29 H GLY 29 2.727 -8.874 10.342 191 1HA GLY 29 1HA GLY 29 2.128 -10.830 9.299 192 2HA GLY 29 2HA GLY 29 0.501 -10.528 9.897 193 H ASN 30 H ASN 30 2.609 -8.964 7.537 194 HA ASN 30 HA ASN 30 2.225 -7.988 5.536 195 1HB ASN 30 1HB ASN 30 1.614 -9.445 3.782 196 2HB ASN 30 2HB ASN 30 2.393 -10.453 4.986 197 1HD2 ASN 30 2HD2 ASN 30 -0.630 -9.602 3.464 198 2HD2 ASN 30 1HD2 ASN 30 -1.521 -10.987 3.982 199 H GLN 31 H GLN 31 0.144 -7.525 7.631 200 HA GLN 31 HA GLN 31 -2.012 -6.633 5.837 201 1HB GLN 31 1HB GLN 31 -2.833 -8.141 7.604 202 2HB GLN 31 2HB GLN 31 -2.093 -7.135 8.843 203 1HG GLN 31 1HG GLN 31 -3.603 -5.304 8.307 204 2HG GLN 31 2HG GLN 31 -4.337 -6.269 7.010 205 1HE2 GLN 31 2HE2 GLN 31 -5.506 -5.077 9.450 206 2HE2 GLN 31 1HE2 GLN 31 -6.280 -6.391 10.272 207 H ILE 32 H ILE 32 -2.994 -4.531 6.399 208 HA ILE 32 HA ILE 32 -1.513 -2.622 7.949 209 HB ILE 32 HB ILE 32 -0.074 -2.740 5.914 210 1HG1 ILE 32 1HG1 ILE 32 -1.595 -0.117 6.222 211 2HG1 ILE 32 2HG1 ILE 32 -0.228 -0.641 7.185 212 1HG2 ILE 32 1HG2 ILE 32 -1.773 -3.366 4.281 213 2HG2 ILE 32 2HG2 ILE 32 -0.906 -1.927 3.758 214 3HG2 ILE 32 3HG2 ILE 32 -2.533 -1.786 4.439 215 1HD1 ILE 32 1HD1 ILE 32 -0.165 -0.050 4.242 216 2HD1 ILE 32 2HD1 ILE 32 1.194 -0.608 5.204 217 3HD1 ILE 32 3HD1 ILE 32 0.474 0.969 5.529 218 H ASP 33 H ASP 33 -2.611 -0.522 7.931 219 HA ASP 33 HA ASP 33 -5.445 -0.844 7.152 220 1HB ASP 33 1HB ASP 33 -4.747 -0.438 9.607 221 2HB ASP 33 2HB ASP 33 -4.397 1.205 9.101 222 H SER 34 H SER 34 -6.408 0.611 5.871 223 HA SER 34 HA SER 34 -4.911 2.146 4.067 224 1HB SER 34 1HB SER 34 -7.084 1.256 3.462 225 2HB SER 34 2HB SER 34 -7.880 2.194 4.723 226 HG SER 34 HG SER 34 -6.444 3.770 3.022 227 H ARG 35 H ARG 35 -6.147 2.909 7.173 228 HA ARG 35 HA ARG 35 -6.332 5.742 6.904 229 1HB ARG 35 1HB ARG 35 -5.907 4.075 9.385 230 2HB ARG 35 2HB ARG 35 -6.328 5.777 9.357 231 1HG ARG 35 1HG ARG 35 -8.029 3.516 8.343 232 2HG ARG 35 2HG ARG 35 -8.284 4.429 9.826 233 1HD ARG 35 1HD ARG 35 -8.610 6.478 8.475 234 2HD ARG 35 2HD ARG 35 -8.422 5.511 7.003 235 HE ARG 35 HE ARG 35 -10.428 4.400 8.639 236 1HH1 ARG 35 1HH1 ARG 35 -9.836 7.174 6.582 237 2HH1 ARG 35 2HH1 ARG 35 -11.517 7.454 6.260 238 1HH2 ARG 35 1HH2 ARG 35 -12.620 4.706 8.143 239 2HH2 ARG 35 2HH2 ARG 35 -13.109 6.003 7.100 240 H GLU 36 H GLU 36 -3.740 3.539 7.799 241 HA GLU 36 HA GLU 36 -1.902 5.441 8.742 242 1HB GLU 36 1HB GLU 36 -1.250 2.837 7.353 243 2HB GLU 36 2HB GLU 36 -0.211 3.734 8.457 244 1HG GLU 36 1HG GLU 36 -2.821 2.380 9.153 245 2HG GLU 36 2HG GLU 36 -1.188 1.836 9.593 246 H LEU 37 H LEU 37 -2.481 4.151 5.516 247 HA LEU 37 HA LEU 37 -0.243 5.512 4.339 248 1HB LEU 37 1HB LEU 37 -2.635 4.177 3.041 249 2HB LEU 37 2HB LEU 37 -1.225 4.791 2.186 250 HG LEU 37 HG LEU 37 -1.172 2.556 4.230 251 1HD1 LEU 37 1HD1 LEU 37 -0.967 2.452 1.211 252 2HD1 LEU 37 2HD1 LEU 37 -2.288 1.834 2.213 253 3HD1 LEU 37 3HD1 LEU 37 -0.687 1.107 2.319 254 1HD2 LEU 37 1HD2 LEU 37 0.913 3.804 4.224 255 2HD2 LEU 37 2HD2 LEU 37 1.013 3.655 2.468 256 3HD2 LEU 37 3HD2 LEU 37 1.141 2.216 3.480 257 H PHE 38 H PHE 38 -3.648 6.224 4.754 258 HA PHE 38 HA PHE 38 -3.328 8.698 3.165 259 1HB PHE 38 1HB PHE 38 -5.808 7.049 3.700 260 2HB PHE 38 2HB PHE 38 -5.790 8.585 2.834 261 HD1 PHE 38 HD1 PHE 38 -4.746 8.727 0.604 262 HD2 PHE 38 HD2 PHE 38 -5.076 5.019 2.677 263 HE1 PHE 38 HE1 PHE 38 -4.319 7.518 -1.481 264 HE2 PHE 38 HE2 PHE 38 -4.624 3.814 0.577 265 HZ PHE 38 HZ PHE 38 -4.245 5.055 -1.504 266 H THR 39 H THR 39 -2.639 8.351 5.987 267 HA THR 39 HA THR 39 -4.551 9.282 7.771 268 HB THR 39 HB THR 39 -2.455 8.479 8.630 269 HG1 THR 39 HG1 THR 39 -3.390 10.143 9.908 270 1HG2 THR 39 1HG2 THR 39 -0.324 9.682 8.281 271 2HG2 THR 39 2HG2 THR 39 -1.132 10.754 7.143 272 3HG2 THR 39 3HG2 THR 39 -0.992 9.038 6.790 273 H VAL 40 H VAL 40 -2.430 11.103 5.625 274 HA VAL 40 HA VAL 40 -4.284 13.345 5.682 275 HB VAL 40 HB VAL 40 -2.276 14.958 5.785 276 1HG1 VAL 40 1HG1 VAL 40 -3.907 14.754 7.641 277 2HG1 VAL 40 2HG1 VAL 40 -2.276 15.061 8.266 278 3HG1 VAL 40 3HG1 VAL 40 -2.964 13.427 8.303 279 1HG2 VAL 40 1HG2 VAL 40 -0.526 13.263 5.479 280 2HG2 VAL 40 2HG2 VAL 40 -0.956 12.545 7.023 281 3HG2 VAL 40 3HG2 VAL 40 -0.279 14.177 6.974 282 H ASP 41 H ASP 41 -4.526 12.025 3.529 283 HA ASP 41 HA ASP 41 -2.791 12.813 1.447 284 1HB ASP 41 1HB ASP 41 -2.611 9.901 2.294 285 2HB ASP 41 2HB ASP 41 -1.831 10.632 0.896 286 H ARG 42 H ARG 42 -3.787 12.350 -0.535 287 HA ARG 42 HA ARG 42 -6.299 10.779 -0.361 288 1HB ARG 42 1HB ARG 42 -6.468 13.321 -0.754 289 2HB ARG 42 2HB ARG 42 -5.753 13.009 -2.331 290 1HG ARG 42 1HG ARG 42 -8.166 13.208 -2.526 291 2HG ARG 42 2HG ARG 42 -7.640 11.551 -2.888 292 1HD ARG 42 1HD ARG 42 -9.679 11.666 -1.455 293 2HD ARG 42 2HD ARG 42 -8.338 10.785 -0.719 294 HE ARG 42 HE ARG 42 -8.219 13.484 0.067 295 1HH1 ARG 42 1HH1 ARG 42 -10.193 10.621 0.547 296 2HH1 ARG 42 2HH1 ARG 42 -10.638 11.061 2.170 297 1HH2 ARG 42 1HH2 ARG 42 -8.818 14.060 2.176 298 2HH2 ARG 42 2HH2 ARG 42 -9.899 13.040 3.082 299 H GLU 43 H GLU 43 -3.497 9.963 -1.078 300 HA GLU 43 HA GLU 43 -3.712 8.518 -3.319 301 1HB GLU 43 1HB GLU 43 -4.035 10.545 -4.674 302 2HB GLU 43 2HB GLU 43 -2.503 11.183 -4.119 303 1HG GLU 43 1HG GLU 43 -1.322 9.350 -5.220 304 2HG GLU 43 2HG GLU 43 -2.863 8.668 -5.736 305 H ILE 44 H ILE 44 -2.045 7.158 -3.348 306 HA ILE 44 HA ILE 44 0.555 8.014 -2.246 307 HB ILE 44 HB ILE 44 -0.804 5.303 -1.920 308 1HG1 ILE 44 1HG1 ILE 44 -1.714 7.075 -0.442 309 2HG1 ILE 44 2HG1 ILE 44 -0.890 5.819 0.468 310 1HG2 ILE 44 1HG2 ILE 44 1.138 4.705 -0.538 311 2HG2 ILE 44 2HG2 ILE 44 1.900 6.241 -0.945 312 3HG2 ILE 44 3HG2 ILE 44 1.600 5.031 -2.205 313 1HD1 ILE 44 1HD1 ILE 44 0.211 8.539 -0.216 314 2HD1 ILE 44 2HD1 ILE 44 1.072 7.269 0.661 315 3HD1 ILE 44 3HD1 ILE 44 -0.364 8.009 1.363 316 H VAL 45 H VAL 45 2.334 7.372 -3.411 317 HA VAL 45 HA VAL 45 1.774 6.206 -6.044 318 HB VAL 45 HB VAL 45 4.192 7.754 -5.082 319 1HG1 VAL 45 1HG1 VAL 45 4.824 6.124 -6.779 320 2HG1 VAL 45 2HG1 VAL 45 4.919 7.766 -7.430 321 3HG1 VAL 45 3HG1 VAL 45 3.551 6.726 -7.841 322 1HG2 VAL 45 1HG2 VAL 45 3.366 9.524 -6.620 323 2HG2 VAL 45 2HG2 VAL 45 2.247 9.175 -5.297 324 3HG2 VAL 45 3HG2 VAL 45 1.926 8.537 -6.916 325 H ILE 46 H ILE 46 2.855 4.427 -6.756 326 HA ILE 46 HA ILE 46 4.421 2.911 -4.748 327 HB ILE 46 HB ILE 46 2.156 1.782 -6.438 328 1HG1 ILE 46 1HG1 ILE 46 2.404 2.037 -3.427 329 2HG1 ILE 46 2HG1 ILE 46 1.417 3.076 -4.450 330 1HG2 ILE 46 1HG2 ILE 46 2.615 -0.335 -5.283 331 2HG2 ILE 46 2HG2 ILE 46 4.008 0.393 -4.489 332 3HG2 ILE 46 3HG2 ILE 46 3.992 0.187 -6.246 333 1HD1 ILE 46 1HD1 ILE 46 0.085 1.387 -3.326 334 2HD1 ILE 46 2HD1 ILE 46 1.045 0.116 -4.072 335 3HD1 ILE 46 3HD1 ILE 46 0.051 1.167 -5.070 336 H ALA 47 H ALA 47 6.402 2.860 -5.717 337 HA ALA 47 HA ALA 47 6.633 2.584 -8.582 338 1HB ALA 47 1HB ALA 47 9.012 2.856 -8.216 339 2HB ALA 47 2HB ALA 47 8.794 2.717 -6.482 340 3HB ALA 47 3HB ALA 47 8.115 4.095 -7.350 341 H HIS 48 H HIS 48 7.157 0.730 -9.671 342 HA HIS 48 HA HIS 48 8.111 -1.596 -8.185 343 1HB HIS 48 1HB HIS 48 5.663 -1.837 -8.175 344 2HB HIS 48 2HB HIS 48 5.633 -1.611 -9.924 345 HD1 HIS 48 HD1 HIS 48 6.590 -4.128 -7.271 346 HD2 HIS 48 HD2 HIS 48 6.331 -3.879 -11.406 347 HE1 HIS 48 HE1 HIS 48 6.809 -6.475 -8.088 348 HE2 HIS 48 HE2 HIS 48 6.924 -6.251 -10.598 349 H GLY 49 H GLY 49 10.091 -1.472 -9.250 350 1HA GLY 49 1HA GLY 49 11.381 -2.485 -10.918 351 2HA GLY 49 2HA GLY 49 9.969 -2.559 -11.974 352 H ASP 50 H ASP 50 9.468 -0.852 -13.254 353 HA ASP 50 HA ASP 50 11.066 1.605 -13.044 354 1HB ASP 50 1HB ASP 50 12.012 0.200 -14.878 355 2HB ASP 50 2HB ASP 50 10.436 0.210 -15.663 356 H ASP 51 H ASP 51 8.119 0.033 -13.388 357 HA ASP 51 HA ASP 51 6.694 2.339 -14.442 358 1HB ASP 51 1HB ASP 51 6.128 0.072 -15.262 359 2HB ASP 51 2HB ASP 51 5.706 -0.402 -13.627 360 H ARG 52 H ARG 52 4.683 3.005 -13.199 361 HA ARG 52 HA ARG 52 5.036 2.854 -10.290 362 1HB ARG 52 1HB ARG 52 4.755 5.451 -11.801 363 2HB ARG 52 2HB ARG 52 4.791 5.276 -10.048 364 1HG ARG 52 1HG ARG 52 7.088 4.404 -10.200 365 2HG ARG 52 2HG ARG 52 7.057 4.658 -11.941 366 1HD ARG 52 1HD ARG 52 6.802 6.774 -9.805 367 2HD ARG 52 2HD ARG 52 8.203 6.490 -10.853 368 HE ARG 52 HE ARG 52 5.891 6.980 -12.410 369 1HH1 ARG 52 1HH1 ARG 52 8.171 8.653 -10.350 370 2HH1 ARG 52 2HH1 ARG 52 7.983 10.162 -11.165 371 1HH2 ARG 52 1HH2 ARG 52 5.610 8.972 -13.463 372 2HH2 ARG 52 2HH2 ARG 52 6.532 10.355 -12.945 373 H TYR 53 H TYR 53 3.202 2.896 -9.180 374 HA TYR 53 HA TYR 53 0.659 3.085 -10.678 375 1HB TYR 53 1HB TYR 53 1.385 1.477 -8.208 376 2HB TYR 53 2HB TYR 53 -0.242 1.617 -8.866 377 HD1 TYR 53 HD1 TYR 53 3.228 0.635 -9.928 378 HD2 TYR 53 HD2 TYR 53 -0.950 -0.031 -10.340 379 HE1 TYR 53 HE1 TYR 53 3.690 -1.273 -11.402 380 HE2 TYR 53 HE2 TYR 53 -0.519 -1.937 -11.831 381 HH TYR 53 HH TYR 53 1.295 -2.727 -13.323 382 H ARG 54 H ARG 54 -1.202 3.797 -9.286 383 HA ARG 54 HA ARG 54 -0.412 5.653 -7.150 384 1HB ARG 54 1HB ARG 54 -2.246 6.226 -9.488 385 2HB ARG 54 2HB ARG 54 -2.210 7.209 -8.020 386 1HG ARG 54 1HG ARG 54 0.045 7.892 -8.470 387 2HG ARG 54 2HG ARG 54 0.174 6.741 -9.802 388 1HD ARG 54 1HD ARG 54 -1.431 7.967 -11.095 389 2HD ARG 54 2HD ARG 54 -1.810 9.012 -9.729 390 HE ARG 54 HE ARG 54 0.608 9.773 -9.944 391 1HH1 ARG 54 1HH1 ARG 54 -1.198 8.603 -12.692 392 2HH1 ARG 54 2HH1 ARG 54 -0.386 9.648 -13.813 393 1HH2 ARG 54 1HH2 ARG 54 1.691 11.117 -11.428 394 2HH2 ARG 54 2HH2 ARG 54 1.260 11.017 -13.103 395 H LEU 55 H LEU 55 -1.267 4.701 -5.416 396 HA LEU 55 HA LEU 55 -3.907 3.479 -5.442 397 1HB LEU 55 1HB LEU 55 -2.022 2.574 -4.068 398 2HB LEU 55 2HB LEU 55 -2.032 4.060 -3.114 399 HG LEU 55 HG LEU 55 -4.392 3.502 -2.413 400 1HD1 LEU 55 1HD1 LEU 55 -3.811 0.831 -3.690 401 2HD1 LEU 55 2HD1 LEU 55 -4.949 2.032 -4.312 402 3HD1 LEU 55 3HD1 LEU 55 -5.231 1.252 -2.751 403 1HD2 LEU 55 1HD2 LEU 55 -3.703 1.777 -0.817 404 2HD2 LEU 55 2HD2 LEU 55 -2.457 3.013 -0.997 405 3HD2 LEU 55 3HD2 LEU 55 -2.273 1.441 -1.778 406 H ARG 56 H ARG 56 -5.630 4.824 -5.427 407 HA ARG 56 HA ARG 56 -5.317 7.474 -4.176 408 1HB ARG 56 1HB ARG 56 -5.357 7.593 -6.630 409 2HB ARG 56 2HB ARG 56 -6.912 6.779 -6.653 410 1HG ARG 56 1HG ARG 56 -7.954 8.648 -5.530 411 2HG ARG 56 2HG ARG 56 -6.385 9.459 -5.375 412 1HD ARG 56 1HD ARG 56 -7.805 8.787 -7.951 413 2HD ARG 56 2HD ARG 56 -7.651 10.386 -7.226 414 HE ARG 56 HE ARG 56 -5.097 9.854 -7.500 415 1HH1 ARG 56 1HH1 ARG 56 -7.650 9.004 -9.787 416 2HH1 ARG 56 2HH1 ARG 56 -6.599 9.145 -11.153 417 1HH2 ARG 56 1HH2 ARG 56 -3.757 10.003 -9.311 418 2HH2 ARG 56 2HH2 ARG 56 -4.393 9.684 -10.893 419 H LEU 57 H LEU 57 -6.965 8.257 -2.944 420 HA LEU 57 HA LEU 57 -9.118 6.333 -2.317 421 1HB LEU 57 1HB LEU 57 -7.230 7.032 -0.593 422 2HB LEU 57 2HB LEU 57 -8.240 8.456 -0.384 423 HG LEU 57 HG LEU 57 -9.293 5.637 -0.004 424 1HD1 LEU 57 1HD1 LEU 57 -7.459 5.985 1.568 425 2HD1 LEU 57 2HD1 LEU 57 -9.018 5.967 2.396 426 3HD1 LEU 57 3HD1 LEU 57 -8.195 7.499 2.107 427 1HD2 LEU 57 1HD2 LEU 57 -11.001 7.340 -0.372 428 2HD2 LEU 57 2HD2 LEU 57 -10.332 8.315 0.934 429 3HD2 LEU 57 3HD2 LEU 57 -11.045 6.750 1.293 430 H THR 58 H THR 58 -11.173 7.090 -2.184 431 HA THR 58 HA THR 58 -11.850 9.537 -3.529 432 HB THR 58 HB THR 58 -14.192 8.903 -3.003 433 HG1 THR 58 HG1 THR 58 -12.865 7.241 -1.238 434 1HG2 THR 58 1HG2 THR 58 -13.108 7.936 -4.986 435 2HG2 THR 58 2HG2 THR 58 -14.250 6.799 -4.287 436 3HG2 THR 58 3HG2 THR 58 -12.522 6.589 -4.020 437 H SER 59 H SER 59 -13.807 10.815 -2.327 438 HA SER 59 HA SER 59 -12.670 12.306 -0.253 439 1HB SER 59 1HB SER 59 -15.621 11.961 -0.869 440 2HB SER 59 2HB SER 59 -14.888 13.293 0.019 441 HG SER 59 HG SER 59 -13.692 13.779 -1.921 442 H GLN 60 H GLN 60 -14.777 9.455 -0.169 443 HA GLN 60 HA GLN 60 -13.897 8.701 2.433 444 1HB GLN 60 1HB GLN 60 -15.940 9.007 3.718 445 2HB GLN 60 2HB GLN 60 -15.415 10.553 3.086 446 1HG GLN 60 1HG GLN 60 -17.115 10.486 1.392 447 2HG GLN 60 2HG GLN 60 -17.583 8.852 1.886 448 1HE2 GLN 60 2HE2 GLN 60 -19.130 11.340 1.794 449 2HE2 GLN 60 1HE2 GLN 60 -19.763 11.551 3.390 450 H ASN 61 H ASN 61 -15.458 8.111 -0.417 451 HA ASN 61 HA ASN 61 -17.249 5.997 0.251 452 1HB ASN 61 1HB ASN 61 -17.408 7.203 -1.884 453 2HB ASN 61 2HB ASN 61 -15.873 6.530 -2.394 454 1HD2 ASN 61 2HD2 ASN 61 -16.817 5.534 -4.195 455 2HD2 ASN 61 1HD2 ASN 61 -17.827 4.127 -4.074 456 H LYS 62 H LYS 62 -14.144 5.676 -1.499 457 HA LYS 62 HA LYS 62 -13.288 3.445 0.078 458 1HB LYS 62 1HB LYS 62 -13.251 1.866 -1.947 459 2HB LYS 62 2HB LYS 62 -14.820 2.141 -1.203 460 1HG LYS 62 1HG LYS 62 -15.181 2.163 -3.535 461 2HG LYS 62 2HG LYS 62 -15.280 3.825 -2.987 462 1HD LYS 62 1HD LYS 62 -13.012 4.241 -3.817 463 2HD LYS 62 2HD LYS 62 -12.880 2.555 -4.299 464 1HE LYS 62 1HE LYS 62 -14.875 4.530 -5.396 465 2HE LYS 62 2HE LYS 62 -13.404 4.031 -6.215 466 1HZ LYS 62 1HZ LYS 62 -14.245 1.767 -6.274 467 2HZ LYS 62 2HZ LYS 62 -15.346 2.821 -7.009 468 3HZ LYS 62 3HZ LYS 62 -15.649 2.236 -5.457 469 H LEU 63 H LEU 63 -11.535 2.279 -1.820 470 HA LEU 63 HA LEU 63 -9.974 4.507 -2.869 471 1HB LEU 63 1HB LEU 63 -7.880 3.756 -1.962 472 2HB LEU 63 2HB LEU 63 -9.011 3.919 -0.622 473 HG LEU 63 HG LEU 63 -8.371 1.250 -1.910 474 1HD1 LEU 63 1HD1 LEU 63 -6.894 0.880 0.022 475 2HD1 LEU 63 2HD1 LEU 63 -7.117 2.573 0.501 476 3HD1 LEU 63 3HD1 LEU 63 -6.331 2.174 -1.037 477 1HD2 LEU 63 1HD2 LEU 63 -9.286 0.354 0.161 478 2HD2 LEU 63 2HD2 LEU 63 -10.488 1.352 -0.664 479 3HD2 LEU 63 3HD2 LEU 63 -9.617 1.986 0.744 480 H ILE 64 H ILE 64 -8.220 3.656 -4.352 481 HA ILE 64 HA ILE 64 -8.852 1.129 -5.637 482 HB ILE 64 HB ILE 64 -9.123 2.287 -7.901 483 1HG1 ILE 64 1HG1 ILE 64 -10.383 4.552 -7.625 484 2HG1 ILE 64 2HG1 ILE 64 -9.588 4.640 -6.058 485 1HG2 ILE 64 1HG2 ILE 64 -11.564 2.536 -7.606 486 2HG2 ILE 64 2HG2 ILE 64 -11.336 2.471 -5.861 487 3HG2 ILE 64 3HG2 ILE 64 -10.930 1.072 -6.846 488 1HD1 ILE 64 1HD1 ILE 64 -8.176 4.456 -8.709 489 2HD1 ILE 64 2HD1 ILE 64 -7.401 4.598 -7.131 490 3HD1 ILE 64 3HD1 ILE 64 -8.403 5.915 -7.761 491 H LEU 65 H LEU 65 -7.478 0.925 -7.694 492 HA LEU 65 HA LEU 65 -4.811 2.157 -7.255 493 1HB LEU 65 1HB LEU 65 -4.859 -0.186 -6.499 494 2HB LEU 65 2HB LEU 65 -5.497 -0.707 -8.048 495 HG LEU 65 HG LEU 65 -3.037 -1.160 -7.600 496 1HD1 LEU 65 1HD1 LEU 65 -4.113 -1.169 -9.856 497 2HD1 LEU 65 2HD1 LEU 65 -2.388 -0.853 -9.836 498 3HD1 LEU 65 3HD1 LEU 65 -3.520 0.476 -10.066 499 1HD2 LEU 65 1HD2 LEU 65 -2.534 1.004 -6.555 500 2HD2 LEU 65 2HD2 LEU 65 -2.758 1.790 -8.116 501 3HD2 LEU 65 3HD2 LEU 65 -1.450 0.621 -7.896 502 H THR 66 H THR 66 -4.481 3.509 -8.930 503 HA THR 66 HA THR 66 -5.172 2.555 -11.633 504 HB THR 66 HB THR 66 -6.867 4.204 -10.930 505 HG1 THR 66 HG1 THR 66 -6.781 4.829 -12.935 506 1HG2 THR 66 1HG2 THR 66 -5.542 5.444 -9.270 507 2HG2 THR 66 2HG2 THR 66 -6.279 6.528 -10.451 508 3HG2 THR 66 3HG2 THR 66 -4.560 6.129 -10.575 509 H LYS 67 H LYS 67 -4.081 4.229 -13.236 510 HA LYS 67 HA LYS 67 -1.467 5.098 -12.270 511 1HB LYS 67 1HB LYS 67 -2.002 3.473 -14.790 512 2HB LYS 67 2HB LYS 67 -0.494 4.327 -14.472 513 1HG LYS 67 1HG LYS 67 -0.100 2.920 -12.508 514 2HG LYS 67 2HG LYS 67 -1.645 2.102 -12.801 515 1HD LYS 67 1HD LYS 67 0.349 0.836 -13.625 516 2HD LYS 67 2HD LYS 67 -0.847 1.184 -14.854 517 1HE LYS 67 1HE LYS 67 0.496 3.080 -15.625 518 2HE LYS 67 2HE LYS 67 1.692 2.753 -14.381 519 1HZ LYS 67 1HZ LYS 67 0.929 0.961 -16.645 520 2HZ LYS 67 2HZ LYS 67 2.037 0.573 -15.419 521 3HZ LYS 67 3HZ LYS 67 2.379 1.828 -16.494 522 1H MET 1 1H MET 1 18.728 -46.081 42.196 523 2H MET 1 2H MET 1 19.606 -45.788 40.776 524 3H MET 1 3H MET 1 17.930 -45.919 40.706 525 HA MET 1 HA MET 1 17.625 -43.927 41.917 526 1HB MET 1 1HB MET 1 20.648 -43.917 42.048 527 2HB MET 1 2HB MET 1 19.663 -42.517 42.412 528 1HG MET 1 1HG MET 1 18.633 -43.704 44.284 529 2HG MET 1 2HG MET 1 19.581 -45.140 43.889 530 1HE MET 1 1HE MET 1 21.277 -43.922 47.223 531 2HE MET 1 2HE MET 1 20.467 -45.248 46.395 532 3HE MET 1 3HE MET 1 19.556 -43.804 46.817 533 H MET 2 H MET 2 17.022 -42.353 40.552 534 HA MET 2 HA MET 2 18.486 -42.079 38.029 535 1HB MET 2 1HB MET 2 16.526 -41.066 37.098 536 2HB MET 2 2HB MET 2 16.009 -42.524 37.914 537 1HG MET 2 1HG MET 2 15.789 -39.732 39.050 538 2HG MET 2 2HG MET 2 14.473 -40.634 38.274 539 1HE MET 2 1HE MET 2 13.560 -40.559 42.126 540 2HE MET 2 2HE MET 2 13.023 -40.108 40.520 541 3HE MET 2 3HE MET 2 14.418 -39.314 41.236 542 H THR 3 H THR 3 19.539 -40.195 37.540 543 HA THR 3 HA THR 3 19.144 -37.884 39.317 544 HB THR 3 HB THR 3 21.866 -39.093 38.735 545 HG1 THR 3 HG1 THR 3 20.061 -39.291 40.872 546 1HG2 THR 3 1HG2 THR 3 21.919 -36.635 38.912 547 2HG2 THR 3 2HG2 THR 3 22.717 -37.396 40.274 548 3HG2 THR 3 3HG2 THR 3 21.093 -36.724 40.465 549 H ALA 4 H ALA 4 18.257 -36.690 37.695 550 HA ALA 4 HA ALA 4 20.046 -35.458 35.823 551 1HB ALA 4 1HB ALA 4 17.734 -37.068 34.686 552 2HB ALA 4 2HB ALA 4 19.445 -37.490 34.555 553 3HB ALA 4 3HB ALA 4 18.837 -36.026 33.787 554 H SER 5 H SER 5 19.275 -33.852 37.408 555 HA SER 5 HA SER 5 16.571 -32.885 37.072 556 1HB SER 5 1HB SER 5 18.901 -31.697 38.603 557 2HB SER 5 2HB SER 5 17.211 -31.217 38.723 558 HG SER 5 HG SER 5 16.816 -33.482 39.325 559 H ASP 6 H ASP 6 19.412 -32.606 35.363 560 HA ASP 6 HA ASP 6 19.010 -29.907 34.396 561 1HB ASP 6 1HB ASP 6 21.290 -30.708 34.410 562 2HB ASP 6 2HB ASP 6 20.847 -32.152 33.512 563 H ARG 7 H ARG 7 17.823 -29.337 32.663 564 HA ARG 7 HA ARG 7 16.768 -31.463 30.914 565 1HB ARG 7 1HB ARG 7 14.650 -30.012 30.813 566 2HB ARG 7 2HB ARG 7 14.925 -30.970 32.269 567 1HG ARG 7 1HG ARG 7 15.747 -29.003 33.423 568 2HG ARG 7 2HG ARG 7 15.510 -28.029 31.957 569 1HD ARG 7 1HD ARG 7 13.143 -28.283 32.069 570 2HD ARG 7 2HD ARG 7 13.264 -29.526 33.317 571 HE ARG 7 HE ARG 7 14.449 -27.358 34.467 572 1HH1 ARG 7 1HH1 ARG 7 11.343 -27.835 32.885 573 2HH1 ARG 7 2HH1 ARG 7 10.511 -26.713 33.915 574 1HH2 ARG 7 1HH2 ARG 7 13.361 -25.881 35.804 575 2HH2 ARG 7 2HH2 ARG 7 11.661 -25.578 35.563 576 H LEU 8 H LEU 8 17.196 -31.143 28.864 577 HA LEU 8 HA LEU 8 18.056 -28.494 27.938 578 1HB LEU 8 1HB LEU 8 19.389 -30.628 27.512 579 2HB LEU 8 2HB LEU 8 18.116 -31.114 26.421 580 HG LEU 8 HG LEU 8 20.130 -30.150 25.315 581 1HD1 LEU 8 1HD1 LEU 8 17.971 -30.150 24.154 582 2HD1 LEU 8 2HD1 LEU 8 18.955 -28.759 23.708 583 3HD1 LEU 8 3HD1 LEU 8 17.618 -28.554 24.834 584 1HD2 LEU 8 1HD2 LEU 8 20.577 -27.763 25.402 585 2HD2 LEU 8 2HD2 LEU 8 20.647 -28.452 27.020 586 3HD2 LEU 8 3HD2 LEU 8 19.222 -27.531 26.513 587 H GLY 9 H GLY 9 16.430 -27.239 27.250 588 1HA GLY 9 1HA GLY 9 14.968 -27.417 25.055 589 2HA GLY 9 2HA GLY 9 14.006 -28.426 26.121 590 H ALA 10 H ALA 10 14.388 -25.374 24.971 591 HA ALA 10 HA ALA 10 12.452 -24.301 26.828 592 1HB ALA 10 1HB ALA 10 13.786 -22.339 27.482 593 2HB ALA 10 2HB ALA 10 15.169 -22.986 26.596 594 3HB ALA 10 3HB ALA 10 14.562 -23.831 28.031 595 H ASP 11 H ASP 11 14.882 -23.067 24.531 596 HA ASP 11 HA ASP 11 12.681 -22.039 22.841 597 1HB ASP 11 1HB ASP 11 14.123 -20.245 23.709 598 2HB ASP 11 2HB ASP 11 15.530 -21.051 23.041 599 HA PRO 12 HA PRO 12 14.494 -25.091 20.059 600 1HB PRO 12 1HB PRO 12 12.253 -25.801 18.828 601 2HB PRO 12 2HB PRO 12 12.466 -26.183 20.543 602 1HG PRO 12 1HG PRO 12 10.857 -24.009 19.270 603 2HG PRO 12 2HG PRO 12 10.450 -25.012 20.675 604 1HD PRO 12 1HD PRO 12 11.550 -22.424 20.738 605 2HD PRO 12 2HD PRO 12 11.487 -23.562 22.100 606 H THR 13 H THR 13 13.871 -21.978 19.505 607 HA THR 13 HA THR 13 13.811 -20.523 17.738 608 HB THR 13 HB THR 13 15.110 -22.779 16.203 609 HG1 THR 13 HG1 THR 13 16.078 -21.631 18.288 610 1HG2 THR 13 1HG2 THR 13 15.980 -21.048 14.740 611 2HG2 THR 13 2HG2 THR 13 15.169 -19.807 15.688 612 3HG2 THR 13 3HG2 THR 13 14.216 -20.968 14.768 613 H GLN 14 H GLN 14 11.539 -20.554 17.722 614 HA GLN 14 HA GLN 14 10.259 -22.299 15.731 615 1HB GLN 14 1HB GLN 14 8.172 -21.869 17.064 616 2HB GLN 14 2HB GLN 14 9.436 -22.741 17.940 617 1HG GLN 14 1HG GLN 14 10.079 -20.626 19.042 618 2HG GLN 14 2HG GLN 14 8.782 -19.807 18.191 619 1HE2 GLN 14 2HE2 GLN 14 6.661 -20.181 18.759 620 2HE2 GLN 14 1HE2 GLN 14 6.225 -20.947 20.247 621 H ALA 15 H ALA 15 9.256 -21.429 14.044 622 HA ALA 15 HA ALA 15 8.439 -19.945 12.524 623 1HB ALA 15 1HB ALA 15 6.934 -18.234 13.366 624 2HB ALA 15 2HB ALA 15 7.585 -18.417 14.996 625 3HB ALA 15 3HB ALA 15 6.694 -19.736 14.245 626 H ALA 16 H ALA 16 11.203 -19.675 13.300 627 HA ALA 16 HA ALA 16 11.857 -16.927 13.744 628 1HB ALA 16 1HB ALA 16 14.157 -17.623 13.325 629 2HB ALA 16 2HB ALA 16 13.603 -19.176 12.697 630 3HB ALA 16 3HB ALA 16 13.348 -18.769 14.389 631 H SER 17 H SER 17 10.536 -18.337 11.070 632 HA SER 17 HA SER 17 11.829 -17.240 8.882 633 1HB SER 17 1HB SER 17 9.493 -17.173 7.881 634 2HB SER 17 2HB SER 17 9.960 -18.733 8.567 635 HG SER 17 HG SER 17 7.836 -17.986 9.171 636 H SER 18 H SER 18 9.473 -15.837 11.071 637 HA SER 18 HA SER 18 10.521 -13.165 10.553 638 1HB SER 18 1HB SER 18 7.557 -13.801 10.395 639 2HB SER 18 2HB SER 18 8.274 -12.199 10.274 640 HG SER 18 HG SER 18 9.510 -13.654 8.468 641 HA PRO 19 HA PRO 19 10.076 -14.280 15.050 642 1HB PRO 19 1HB PRO 19 12.059 -12.062 15.139 643 2HB PRO 19 2HB PRO 19 12.069 -13.620 15.972 644 1HG PRO 19 1HG PRO 19 13.668 -13.234 13.877 645 2HG PRO 19 2HG PRO 19 12.829 -14.787 14.089 646 1HD PRO 19 1HD PRO 19 12.191 -12.529 12.237 647 2HD PRO 19 2HD PRO 19 12.099 -14.274 11.950 648 H GLY 20 H GLY 20 10.264 -11.090 13.526 649 1HA GLY 20 1HA GLY 20 8.242 -10.080 15.421 650 2HA GLY 20 2HA GLY 20 9.367 -9.059 14.529 651 H GLY 21 H GLY 21 6.288 -10.493 14.563 652 1HA GLY 21 1HA GLY 21 5.705 -10.707 11.823 653 2HA GLY 21 2HA GLY 21 4.533 -10.491 13.107 654 H ALA 22 H ALA 22 6.113 -7.946 13.796 655 HA ALA 22 HA ALA 22 4.719 -6.219 11.876 656 1HB ALA 22 1HB ALA 22 4.902 -4.471 13.583 657 2HB ALA 22 2HB ALA 22 5.769 -5.587 14.635 658 3HB ALA 22 3HB ALA 22 4.089 -5.907 14.207 659 H ARG 23 H ARG 23 5.835 -4.829 10.584 660 HA ARG 23 HA ARG 23 8.681 -4.359 11.127 661 1HB ARG 23 1HB ARG 23 9.241 -4.590 8.770 662 2HB ARG 23 2HB ARG 23 8.543 -6.091 9.366 663 1HG ARG 23 1HG ARG 23 6.392 -5.480 8.355 664 2HG ARG 23 2HG ARG 23 7.120 -4.002 7.704 665 1HD ARG 23 1HD ARG 23 8.717 -5.359 6.436 666 2HD ARG 23 2HD ARG 23 7.996 -6.831 7.106 667 HE ARG 23 HE ARG 23 6.288 -5.000 5.587 668 1HH1 ARG 23 1HH1 ARG 23 7.965 -8.084 5.763 669 2HH1 ARG 23 2HH1 ARG 23 7.117 -8.742 4.416 670 1HH2 ARG 23 1HH2 ARG 23 5.144 -5.935 3.842 671 2HH2 ARG 23 2HH2 ARG 23 5.561 -7.525 3.312 672 H ALA 24 H ALA 24 9.461 -2.361 10.282 673 HA ALA 24 HA ALA 24 7.309 -0.384 9.904 674 1HB ALA 24 1HB ALA 24 8.792 -0.031 11.824 675 2HB ALA 24 2HB ALA 24 8.933 1.276 10.642 676 3HB ALA 24 3HB ALA 24 10.186 0.034 10.743 677 H VAL 25 H VAL 25 6.964 0.311 7.909 678 HA VAL 25 HA VAL 25 9.223 0.491 6.016 679 HB VAL 25 HB VAL 25 7.581 0.319 4.176 680 1HG1 VAL 25 1HG1 VAL 25 8.693 -1.715 4.942 681 2HG1 VAL 25 2HG1 VAL 25 7.047 -2.048 4.390 682 3HG1 VAL 25 3HG1 VAL 25 7.408 -1.976 6.112 683 1HG2 VAL 25 1HG2 VAL 25 5.621 1.224 5.255 684 2HG2 VAL 25 2HG2 VAL 25 5.594 -0.120 6.411 685 3HG2 VAL 25 3HG2 VAL 25 5.261 -0.413 4.698 686 H SER 26 H SER 26 9.484 2.409 4.911 687 HA SER 26 HA SER 26 8.172 4.690 6.195 688 1HB SER 26 1HB SER 26 10.042 6.015 5.185 689 2HB SER 26 2HB SER 26 10.574 4.751 6.291 690 HG SER 26 HG SER 26 10.444 3.649 3.906 691 H ILE 27 H ILE 27 7.385 6.452 5.116 692 HA ILE 27 HA ILE 27 6.691 6.107 2.263 693 HB ILE 27 HB ILE 27 4.999 7.588 4.302 694 1HG1 ILE 27 1HG1 ILE 27 4.929 5.218 4.903 695 2HG1 ILE 27 2HG1 ILE 27 3.400 5.720 4.195 696 1HG2 ILE 27 1HG2 ILE 27 4.728 8.369 2.024 697 2HG2 ILE 27 2HG2 ILE 27 3.271 7.515 2.553 698 3HG2 ILE 27 3HG2 ILE 27 4.419 6.721 1.468 699 1HD1 ILE 27 1HD1 ILE 27 4.054 4.682 2.082 700 2HD1 ILE 27 2HD1 ILE 27 4.044 3.536 3.414 701 3HD1 ILE 27 3HD1 ILE 27 5.570 4.183 2.821 702 H VAL 28 H VAL 28 7.426 7.739 1.038 703 HA VAL 28 HA VAL 28 8.381 10.181 2.383 704 HB VAL 28 HB VAL 28 10.207 10.291 0.682 705 1HG1 VAL 28 1HG1 VAL 28 11.675 8.646 1.753 706 2HG1 VAL 28 2HG1 VAL 28 10.266 7.850 2.463 707 3HG1 VAL 28 3HG1 VAL 28 10.678 9.500 2.930 708 1HG2 VAL 28 1HG2 VAL 28 9.242 8.825 -1.033 709 2HG2 VAL 28 2HG2 VAL 28 9.370 7.441 0.058 710 3HG2 VAL 28 3HG2 VAL 28 10.826 8.236 -0.537 711 H GLY 29 H GLY 29 7.104 11.799 1.823 712 1HA GLY 29 1HA GLY 29 5.806 13.217 0.546 713 2HA GLY 29 2HA GLY 29 6.834 12.738 -0.801 714 H ASN 30 H ASN 30 4.462 11.078 1.221 715 HA ASN 30 HA ASN 30 2.900 9.526 0.792 716 1HB ASN 30 1HB ASN 30 1.056 10.233 -0.516 717 2HB ASN 30 2HB ASN 30 1.753 11.668 0.218 718 1HD2 ASN 30 2HD2 ASN 30 1.192 9.931 -2.710 719 2HD2 ASN 30 1HD2 ASN 30 1.619 11.195 -3.814 720 H GLN 31 H GLN 31 5.472 9.206 -0.688 721 HA GLN 31 HA GLN 31 4.510 7.365 -2.787 722 1HB GLN 31 1HB GLN 31 6.022 9.121 -3.633 723 2HB GLN 31 2HB GLN 31 7.241 8.646 -2.455 724 1HG GLN 31 1HG GLN 31 7.442 6.470 -3.531 725 2HG GLN 31 2HG GLN 31 6.191 6.933 -4.698 726 1HE2 GLN 31 2HE2 GLN 31 7.633 6.631 -6.425 727 2HE2 GLN 31 1HE2 GLN 31 8.906 7.747 -6.770 728 H ILE 32 H ILE 32 5.733 5.335 -3.004 729 HA ILE 32 HA ILE 32 7.260 4.339 -0.816 730 HB ILE 32 HB ILE 32 5.024 4.167 0.207 731 1HG1 ILE 32 1HG1 ILE 32 6.169 1.479 -0.626 732 2HG1 ILE 32 2HG1 ILE 32 6.695 2.451 0.754 733 1HG2 ILE 32 1HG2 ILE 32 3.322 2.679 -0.764 734 2HG2 ILE 32 2HG2 ILE 32 4.333 2.470 -2.191 735 3HG2 ILE 32 3HG2 ILE 32 3.672 4.055 -1.808 736 1HD1 ILE 32 1HD1 ILE 32 3.978 1.221 0.413 737 2HD1 ILE 32 2HD1 ILE 32 4.547 2.154 1.805 738 3HD1 ILE 32 3HD1 ILE 32 5.281 0.589 1.419 739 H ASP 33 H ASP 33 8.035 2.141 -1.304 740 HA ASP 33 HA ASP 33 7.904 1.595 -4.183 741 1HB ASP 33 1HB ASP 33 10.139 2.051 -2.989 742 2HB ASP 33 2HB ASP 33 9.934 0.493 -2.224 743 H SER 34 H SER 34 7.225 -0.389 -4.900 744 HA SER 34 HA SER 34 5.496 -1.965 -3.323 745 1HB SER 34 1HB SER 34 5.261 -1.795 -5.737 746 2HB SER 34 2HB SER 34 6.840 -2.537 -6.006 747 HG SER 34 HG SER 34 5.395 -4.175 -4.458 748 H ARG 35 H ARG 35 8.890 -2.097 -3.812 749 HA ARG 35 HA ARG 35 9.360 -4.828 -3.219 750 1HB ARG 35 1HB ARG 35 11.104 -2.385 -3.017 751 2HB ARG 35 2HB ARG 35 11.677 -4.023 -2.650 752 1HG ARG 35 1HG ARG 35 11.079 -4.737 -4.917 753 2HG ARG 35 2HG ARG 35 10.490 -3.120 -5.266 754 1HD ARG 35 1HD ARG 35 13.273 -3.731 -4.416 755 2HD ARG 35 2HD ARG 35 12.786 -3.620 -6.100 756 HE ARG 35 HE ARG 35 11.925 -1.274 -5.123 757 1HH1 ARG 35 1HH1 ARG 35 15.021 -2.884 -4.915 758 2HH1 ARG 35 2HH1 ARG 35 15.918 -1.403 -4.784 759 1HH2 ARG 35 1HH2 ARG 35 13.088 0.649 -4.934 760 2HH2 ARG 35 2HH2 ARG 35 14.817 0.627 -4.817 761 H GLU 36 H GLU 36 9.036 -1.952 -1.229 762 HA GLU 36 HA GLU 36 9.975 -3.029 1.202 763 1HB GLU 36 1HB GLU 36 7.884 -0.867 0.892 764 2HB GLU 36 2HB GLU 36 8.952 -1.111 2.256 765 1HG GLU 36 1HG GLU 36 9.827 -0.345 -0.517 766 2HG GLU 36 2HG GLU 36 9.615 0.783 0.832 767 H LEU 37 H LEU 37 6.757 -2.906 -0.236 768 HA LEU 37 HA LEU 37 5.433 -3.969 2.081 769 1HB LEU 37 1HB LEU 37 4.496 -3.640 -0.771 770 2HB LEU 37 2HB LEU 37 3.465 -4.127 0.560 771 HG LEU 37 HG LEU 37 4.868 -1.469 0.295 772 1HD1 LEU 37 1HD1 LEU 37 2.612 -0.555 0.023 773 2HD1 LEU 37 2HD1 LEU 37 1.941 -2.188 0.034 774 3HD1 LEU 37 3HD1 LEU 37 3.009 -1.679 -1.273 775 1HD2 LEU 37 1HD2 LEU 37 2.970 -2.497 2.408 776 2HD2 LEU 37 2HD2 LEU 37 3.570 -0.832 2.278 777 3HD2 LEU 37 3HD2 LEU 37 4.690 -2.154 2.613 778 H PHE 38 H PHE 38 6.825 -5.290 -0.844 779 HA PHE 38 HA PHE 38 5.797 -7.959 -0.144 780 1HB PHE 38 1HB PHE 38 6.503 -6.842 -2.869 781 2HB PHE 38 2HB PHE 38 6.026 -8.502 -2.557 782 HD1 PHE 38 HD2 PHE 38 4.857 -5.030 -2.724 783 HD2 PHE 38 HD1 PHE 38 3.752 -9.087 -2.091 784 HE1 PHE 38 HE2 PHE 38 2.482 -4.420 -2.993 785 HE2 PHE 38 HE1 PHE 38 1.384 -8.491 -2.356 786 HZ PHE 38 HZ PHE 38 0.745 -6.155 -2.802 787 H THR 39 H THR 39 8.223 -6.664 0.857 788 HA THR 39 HA THR 39 10.556 -7.485 -0.349 789 HB THR 39 HB THR 39 10.599 -6.014 1.555 790 HG1 THR 39 HG1 THR 39 12.149 -8.211 1.370 791 1HG2 THR 39 1HG2 THR 39 8.745 -6.877 2.837 792 2HG2 THR 39 2HG2 THR 39 10.196 -6.858 3.843 793 3HG2 THR 39 3HG2 THR 39 9.625 -8.375 3.157 794 H VAL 40 H VAL 40 8.405 -9.330 1.768 795 HA VAL 40 HA VAL 40 9.461 -11.836 0.684 796 HB VAL 40 HB VAL 40 9.573 -12.876 2.969 797 1HG1 VAL 40 1HG1 VAL 40 11.738 -11.940 3.652 798 2HG1 VAL 40 2HG1 VAL 40 11.479 -10.569 2.579 799 3HG1 VAL 40 3HG1 VAL 40 11.659 -12.181 1.897 800 1HG2 VAL 40 1HG2 VAL 40 9.359 -10.025 3.966 801 2HG2 VAL 40 2HG2 VAL 40 9.741 -11.432 4.960 802 3HG2 VAL 40 3HG2 VAL 40 8.156 -11.290 4.184 803 H ASP 41 H ASP 41 7.171 -11.261 -0.283 804 HA ASP 41 HA ASP 41 4.975 -12.176 1.244 805 1HB ASP 41 1HB ASP 41 5.042 -9.185 0.670 806 2HB ASP 41 2HB ASP 41 3.731 -10.069 1.427 807 H ARG 42 H ARG 42 3.233 -12.530 -0.175 808 HA ARG 42 HA ARG 42 3.666 -11.578 -2.958 809 1HB ARG 42 1HB ARG 42 3.845 -14.118 -2.437 810 2HB ARG 42 2HB ARG 42 2.093 -14.063 -2.249 811 1HG ARG 42 1HG ARG 42 1.912 -13.166 -4.561 812 2HG ARG 42 2HG ARG 42 3.651 -13.326 -4.716 813 1HD ARG 42 1HD ARG 42 2.598 -15.227 -5.746 814 2HD ARG 42 2HD ARG 42 3.406 -15.772 -4.273 815 HE ARG 42 HE ARG 42 0.760 -15.129 -3.604 816 1HH1 ARG 42 1HH1 ARG 42 2.465 -17.466 -5.593 817 2HH1 ARG 42 2HH1 ARG 42 1.270 -18.700 -5.389 818 1HH2 ARG 42 1HH2 ARG 42 -0.835 -16.734 -3.398 819 2HH2 ARG 42 2HH2 ARG 42 -0.623 -18.280 -4.160 820 H GLU 43 H GLU 43 1.828 -11.241 -0.246 821 HA GLU 43 HA GLU 43 -0.198 -9.738 -1.657 822 1HB GLU 43 1HB GLU 43 -1.057 -12.033 -1.637 823 2HB GLU 43 2HB GLU 43 -0.788 -12.126 0.102 824 1HG GLU 43 1HG GLU 43 -2.478 -10.367 0.425 825 2HG GLU 43 2HG GLU 43 -2.767 -10.343 -1.319 826 H ILE 44 H ILE 44 -1.041 -8.108 -0.467 827 HA ILE 44 HA ILE 44 -0.393 -7.978 2.400 828 HB ILE 44 HB ILE 44 -0.392 -5.670 0.421 829 1HG1 ILE 44 1HG1 ILE 44 1.639 -7.067 0.278 830 2HG1 ILE 44 2HG1 ILE 44 2.001 -5.485 0.925 831 1HG2 ILE 44 1HG2 ILE 44 -1.306 -5.006 2.597 832 2HG2 ILE 44 2HG2 ILE 44 0.253 -4.251 2.257 833 3HG2 ILE 44 3HG2 ILE 44 0.161 -5.607 3.386 834 1HD1 ILE 44 1HD1 ILE 44 1.720 -8.019 2.514 835 2HD1 ILE 44 2HD1 ILE 44 2.028 -6.419 3.188 836 3HD1 ILE 44 3HD1 ILE 44 3.217 -7.168 2.123 837 H VAL 45 H VAL 45 -2.055 -7.287 3.719 838 HA VAL 45 HA VAL 45 -4.686 -7.094 2.433 839 HB VAL 45 HB VAL 45 -4.009 -7.698 5.333 840 1HG1 VAL 45 1HG1 VAL 45 -6.665 -7.700 3.913 841 2HG1 VAL 45 2HG1 VAL 45 -6.147 -6.547 5.146 842 3HG1 VAL 45 3HG1 VAL 45 -6.398 -8.243 5.575 843 1HG2 VAL 45 1HG2 VAL 45 -3.387 -9.533 3.863 844 2HG2 VAL 45 2HG2 VAL 45 -4.987 -9.516 3.115 845 3HG2 VAL 45 3HG2 VAL 45 -4.808 -9.957 4.808 846 H ILE 46 H ILE 46 -6.053 -5.390 2.855 847 HA ILE 46 HA ILE 46 -4.850 -3.055 4.208 848 HB ILE 46 HB ILE 46 -6.186 -2.988 1.473 849 1HG1 ILE 46 1HG1 ILE 46 -3.295 -2.487 2.255 850 2HG1 ILE 46 2HG1 ILE 46 -3.892 -3.910 1.417 851 1HG2 ILE 46 1HG2 ILE 46 -4.967 -0.744 3.094 852 2HG2 ILE 46 2HG2 ILE 46 -6.691 -1.003 2.807 853 3HG2 ILE 46 3HG2 ILE 46 -5.636 -0.610 1.471 854 1HD1 ILE 46 1HD1 ILE 46 -3.872 -1.084 0.379 855 2HD1 ILE 46 2HD1 ILE 46 -4.588 -2.461 -0.460 856 3HD1 ILE 46 3HD1 ILE 46 -2.853 -2.423 -0.145 857 H ALA 47 H ALA 47 -6.245 -2.800 5.899 858 HA ALA 47 HA ALA 47 -9.078 -3.310 5.553 859 1HB ALA 47 1HB ALA 47 -7.528 -2.398 7.978 860 2HB ALA 47 2HB ALA 47 -7.939 -4.064 7.605 861 3HB ALA 47 3HB ALA 47 -9.216 -2.892 7.983 862 H HIS 48 H HIS 48 -10.646 -1.795 5.402 863 HA HIS 48 HA HIS 48 -9.987 1.014 5.864 864 1HB HIS 48 1HB HIS 48 -9.447 0.651 3.493 865 2HB HIS 48 2HB HIS 48 -11.027 -0.052 3.217 866 HD1 HIS 48 HD1 HIS 48 -9.294 3.245 3.497 867 HD2 HIS 48 HD2 HIS 48 -13.165 1.795 3.124 868 HE1 HIS 48 HE1 HIS 48 -10.716 5.232 2.895 869 HE2 HIS 48 HE2 HIS 48 -13.059 4.353 2.921 870 H GLY 49 H GLY 49 -11.450 1.062 7.569 871 1HA GLY 49 1HA GLY 49 -13.545 1.819 8.244 872 2HA GLY 49 2HA GLY 49 -14.238 1.268 6.729 873 H ASP 50 H ASP 50 -14.926 -0.787 6.493 874 HA ASP 50 HA ASP 50 -14.551 -2.649 8.733 875 1HB ASP 50 1HB ASP 50 -17.179 -2.087 7.333 876 2HB ASP 50 2HB ASP 50 -16.915 -3.434 8.432 877 H ASP 51 H ASP 51 -14.559 -1.971 5.430 878 HA ASP 51 HA ASP 51 -14.666 -4.734 4.565 879 1HB ASP 51 1HB ASP 51 -15.820 -2.906 3.262 880 2HB ASP 51 2HB ASP 51 -14.242 -2.186 2.950 881 H ARG 52 H ARG 52 -12.870 -5.490 3.090 882 HA ARG 52 HA ARG 52 -10.250 -4.396 3.828 883 1HB ARG 52 1HB ARG 52 -11.133 -7.251 4.261 884 2HB ARG 52 2HB ARG 52 -9.449 -6.780 4.212 885 1HG ARG 52 1HG ARG 52 -9.709 -5.369 6.152 886 2HG ARG 52 2HG ARG 52 -11.453 -5.620 6.129 887 1HD ARG 52 1HD ARG 52 -9.359 -7.733 6.629 888 2HD ARG 52 2HD ARG 52 -10.354 -6.957 7.869 889 HE ARG 52 HE ARG 52 -11.089 -9.129 6.182 890 1HH1 ARG 52 1HH1 ARG 52 -12.414 -6.255 7.680 891 2HH1 ARG 52 2HH1 ARG 52 -14.010 -6.900 7.815 892 1HH2 ARG 52 1HH2 ARG 52 -13.187 -9.978 6.363 893 2HH2 ARG 52 2HH2 ARG 52 -14.457 -9.015 7.057 894 H TYR 53 H TYR 53 -8.758 -4.557 2.293 895 HA TYR 53 HA TYR 53 -9.500 -5.740 -0.283 896 1HB TYR 53 1HB TYR 53 -7.655 -3.411 0.351 897 2HB TYR 53 2HB TYR 53 -7.979 -4.048 -1.269 898 HD1 TYR 53 HD1 TYR 53 -9.730 -2.588 1.701 899 HD2 TYR 53 HD2 TYR 53 -9.712 -3.121 -2.506 900 HE1 TYR 53 HE1 TYR 53 -11.646 -1.038 1.519 901 HE2 TYR 53 HE2 TYR 53 -11.631 -1.576 -2.722 902 HH TYR 53 HH TYR 53 -13.522 -0.783 -1.208 903 H ARG 54 H ARG 54 -7.639 -6.457 -1.605 904 HA ARG 54 HA ARG 54 -5.362 -7.377 0.016 905 1HB ARG 54 1HB ARG 54 -7.167 -9.015 -1.742 906 2HB ARG 54 2HB ARG 54 -5.469 -9.447 -1.672 907 1HG ARG 54 1HG ARG 54 -6.580 -10.825 -0.112 908 2HG ARG 54 2HG ARG 54 -5.700 -9.622 0.814 909 1HD ARG 54 1HD ARG 54 -7.872 -9.871 1.810 910 2HD ARG 54 2HD ARG 54 -7.818 -8.304 1.016 911 HE ARG 54 HE ARG 54 -8.882 -9.977 -0.866 912 1HH1 ARG 54 1HH1 ARG 54 -9.758 -9.077 2.411 913 2HH1 ARG 54 2HH1 ARG 54 -11.448 -9.390 2.164 914 1HH2 ARG 54 1HH2 ARG 54 -11.114 -10.406 -1.157 915 2HH2 ARG 54 2HH2 ARG 54 -12.216 -10.150 0.161 916 H LEU 55 H LEU 55 -3.720 -6.236 -0.764 917 HA LEU 55 HA LEU 55 -3.409 -5.679 -3.607 918 1HB LEU 55 1HB LEU 55 -2.773 -4.021 -1.805 919 2HB LEU 55 2HB LEU 55 -1.524 -5.143 -1.277 920 HG LEU 55 HG LEU 55 -0.451 -4.916 -3.544 921 1HD1 LEU 55 1HD1 LEU 55 -1.121 -3.028 -4.953 922 2HD1 LEU 55 2HD1 LEU 55 -2.485 -2.700 -3.894 923 3HD1 LEU 55 3HD1 LEU 55 -2.418 -4.206 -4.815 924 1HD2 LEU 55 1HD2 LEU 55 -0.812 -2.333 -2.004 925 2HD2 LEU 55 2HD2 LEU 55 0.529 -2.743 -3.089 926 3HD2 LEU 55 3HD2 LEU 55 0.310 -3.636 -1.579 927 H ARG 56 H ARG 56 -2.738 -7.349 -4.824 928 HA ARG 56 HA ARG 56 -0.957 -9.364 -3.587 929 1HB ARG 56 1HB ARG 56 -3.198 -10.214 -3.988 930 2HB ARG 56 2HB ARG 56 -3.105 -9.769 -5.682 931 1HG ARG 56 1HG ARG 56 -1.322 -11.382 -6.028 932 2HG ARG 56 2HG ARG 56 -1.349 -11.810 -4.315 933 1HD ARG 56 1HD ARG 56 -3.625 -12.159 -6.281 934 2HD ARG 56 2HD ARG 56 -2.582 -13.442 -5.639 935 HE ARG 56 HE ARG 56 -3.599 -12.365 -3.381 936 1HH1 ARG 56 1HH1 ARG 56 -5.186 -13.446 -6.340 937 2HH1 ARG 56 2HH1 ARG 56 -6.624 -13.941 -5.491 938 1HH2 ARG 56 1HH2 ARG 56 -5.463 -13.006 -2.313 939 2HH2 ARG 56 2HH2 ARG 56 -6.772 -13.702 -3.222 940 H LEU 57 H LEU 57 0.794 -10.082 -4.728 941 HA LEU 57 HA LEU 57 1.412 -8.650 -7.240 942 1HB LEU 57 1HB LEU 57 2.782 -8.347 -4.957 943 2HB LEU 57 2HB LEU 57 3.552 -9.827 -5.475 944 HG LEU 57 HG LEU 57 3.477 -7.329 -7.179 945 1HD1 LEU 57 1HD1 LEU 57 5.787 -6.948 -6.423 946 2HD1 LEU 57 2HD1 LEU 57 5.607 -8.270 -5.271 947 3HD1 LEU 57 3HD1 LEU 57 4.620 -6.818 -5.115 948 1HD2 LEU 57 1HD2 LEU 57 3.936 -9.345 -8.457 949 2HD2 LEU 57 2HD2 LEU 57 5.178 -9.814 -7.310 950 3HD2 LEU 57 3HD2 LEU 57 5.407 -8.386 -8.312 951 H THR 58 H THR 58 2.207 -9.782 -8.917 952 HA THR 58 HA THR 58 1.677 -12.590 -9.086 953 HB THR 58 HB THR 58 2.553 -12.384 -11.389 954 HG1 THR 58 HG1 THR 58 3.512 -9.973 -10.329 955 1HG2 THR 58 1HG2 THR 58 0.750 -10.059 -10.682 956 2HG2 THR 58 2HG2 THR 58 0.210 -11.716 -10.951 957 3HG2 THR 58 3HG2 THR 58 0.925 -10.799 -12.275 958 H SER 59 H SER 59 3.549 -13.868 -10.352 959 HA SER 59 HA SER 59 5.591 -14.412 -8.552 960 1HB SER 59 1HB SER 59 4.858 -15.997 -10.284 961 2HB SER 59 2HB SER 59 5.539 -14.955 -11.528 962 HG SER 59 HG SER 59 7.123 -15.925 -9.406 963 H GLN 60 H GLN 60 5.515 -12.185 -11.295 964 HA GLN 60 HA GLN 60 7.609 -10.572 -10.266 965 1HB GLN 60 1HB GLN 60 8.936 -12.535 -11.077 966 2HB GLN 60 2HB GLN 60 8.362 -12.227 -12.689 967 1HG GLN 60 1HG GLN 60 9.432 -9.984 -12.581 968 2HG GLN 60 2HG GLN 60 10.131 -10.462 -11.025 969 1HE2 GLN 60 2HE2 GLN 60 11.710 -12.098 -11.005 970 2HE2 GLN 60 1HE2 GLN 60 12.590 -12.539 -12.413 971 H ASN 61 H ASN 61 5.108 -11.157 -12.336 972 HA ASN 61 HA ASN 61 5.714 -9.445 -14.527 973 1HB ASN 61 1HB ASN 61 4.003 -11.241 -14.642 974 2HB ASN 61 2HB ASN 61 2.955 -10.285 -13.587 975 1HD2 ASN 61 2HD2 ASN 61 4.315 -10.592 -16.756 976 2HD2 ASN 61 1HD2 ASN 61 3.326 -9.409 -17.530 977 H LYS 62 H LYS 62 3.252 -8.930 -12.005 978 HA LYS 62 HA LYS 62 4.017 -6.216 -11.552 979 1HB LYS 62 1HB LYS 62 1.997 -5.158 -12.409 980 2HB LYS 62 2HB LYS 62 2.780 -6.022 -13.729 981 1HG LYS 62 1HG LYS 62 1.200 -7.817 -13.562 982 2HG LYS 62 2HG LYS 62 0.441 -7.064 -12.153 983 1HD LYS 62 1HD LYS 62 -0.089 -5.091 -13.620 984 2HD LYS 62 2HD LYS 62 0.504 -6.038 -14.990 985 1HE LYS 62 1HE LYS 62 -1.205 -7.712 -14.589 986 2HE LYS 62 2HE LYS 62 -1.758 -6.838 -13.164 987 1HZ LYS 62 1HZ LYS 62 -1.870 -5.902 -15.986 988 2HZ LYS 62 2HZ LYS 62 -2.292 -4.945 -14.652 989 3HZ LYS 62 3HZ LYS 62 -3.179 -6.337 -15.012 990 H LEU 63 H LEU 63 1.525 -5.280 -10.563 991 HA LEU 63 HA LEU 63 0.692 -7.286 -8.590 992 1HB LEU 63 1HB LEU 63 0.818 -5.735 -6.741 993 2HB LEU 63 2HB LEU 63 2.404 -5.926 -7.440 994 HG LEU 63 HG LEU 63 0.623 -3.558 -8.040 995 1HD1 LEU 63 1HD1 LEU 63 1.110 -3.636 -5.649 996 2HD1 LEU 63 2HD1 LEU 63 1.936 -2.292 -6.435 997 3HD1 LEU 63 3HD1 LEU 63 2.833 -3.755 -5.995 998 1HD2 LEU 63 1HD2 LEU 63 2.366 -3.945 -9.693 999 2HD2 LEU 63 2HD2 LEU 63 3.576 -4.014 -8.416 1000 3HD2 LEU 63 3HD2 LEU 63 2.732 -2.505 -8.755 1001 H ILE 64 H ILE 64 -1.300 -6.480 -7.428 1002 HA ILE 64 HA ILE 64 -2.975 -4.674 -8.960 1003 HB ILE 64 HB ILE 64 -4.773 -6.465 -9.279 1004 1HG1 ILE 64 1HG1 ILE 64 -3.763 -8.766 -9.754 1005 2HG1 ILE 64 2HG1 ILE 64 -2.381 -8.236 -8.812 1006 1HG2 ILE 64 1HG2 ILE 64 -3.687 -5.441 -11.149 1007 2HG2 ILE 64 2HG2 ILE 64 -3.866 -7.161 -11.462 1008 3HG2 ILE 64 3HG2 ILE 64 -2.292 -6.513 -10.996 1009 1HD1 ILE 64 1HD1 ILE 64 -5.221 -8.472 -7.820 1010 2HD1 ILE 64 2HD1 ILE 64 -3.834 -7.947 -6.865 1011 3HD1 ILE 64 3HD1 ILE 64 -3.896 -9.584 -7.490 1012 H LEU 65 H LEU 65 -5.283 -4.746 -8.085 1013 HA LEU 65 HA LEU 65 -5.203 -5.171 -5.154 1014 1HB LEU 65 1HB LEU 65 -5.062 -2.760 -5.691 1015 2HB LEU 65 2HB LEU 65 -6.515 -2.885 -6.681 1016 HG LEU 65 HG LEU 65 -7.810 -3.478 -4.638 1017 1HD1 LEU 65 1HD1 LEU 65 -5.225 -2.840 -3.189 1018 2HD1 LEU 65 2HD1 LEU 65 -6.000 -4.423 -3.258 1019 3HD1 LEU 65 3HD1 LEU 65 -6.790 -3.091 -2.430 1020 1HD2 LEU 65 1HD2 LEU 65 -7.766 -1.201 -5.426 1021 2HD2 LEU 65 2HD2 LEU 65 -6.320 -0.860 -4.485 1022 3HD2 LEU 65 3HD2 LEU 65 -7.838 -1.233 -3.668 1023 H THR 66 H THR 66 -6.578 -6.792 -4.722 1024 HA THR 66 HA THR 66 -9.154 -6.862 -6.144 1025 HB THR 66 HB THR 66 -7.686 -8.602 -7.084 1026 HG1 THR 66 HG1 THR 66 -9.380 -9.843 -7.184 1027 1HG2 THR 66 1HG2 THR 66 -7.597 -9.696 -4.262 1028 2HG2 THR 66 2HG2 THR 66 -6.254 -8.967 -5.124 1029 3HG2 THR 66 3HG2 THR 66 -6.942 -10.490 -5.695 1030 H LYS 67 H LYS 67 -10.758 -8.249 -4.973 1031 HA LYS 67 HA LYS 67 -10.411 -8.860 -2.242 1032 1HB LYS 67 1HB LYS 67 -12.027 -7.310 -1.270 1033 2HB LYS 67 2HB LYS 67 -10.632 -6.460 -1.928 1034 1HG LYS 67 1HG LYS 67 -13.206 -6.712 -3.468 1035 2HG LYS 67 2HG LYS 67 -12.963 -5.446 -2.274 1036 1HD LYS 67 1HD LYS 67 -10.914 -4.756 -3.537 1037 2HD LYS 67 2HD LYS 67 -11.347 -5.913 -4.782 1038 1HE LYS 67 1HE LYS 67 -13.051 -3.573 -3.871 1039 2HE LYS 67 2HE LYS 67 -12.065 -3.617 -5.347 1040 1HZ LYS 67 1HZ LYS 67 -14.378 -4.086 -5.834 1041 2HZ LYS 67 2HZ LYS 67 -14.383 -5.377 -4.738 1042 3HZ LYS 67 3HZ LYS 67 -13.438 -5.460 -6.135 Start of MODEL 18 1 1H MET 1 1H MET 1 -34.066 60.802 6.811 2 2H MET 1 2H MET 1 -34.014 59.920 5.364 3 3H MET 1 3H MET 1 -32.583 60.299 6.165 4 HA MET 1 HA MET 1 -33.064 58.863 7.950 5 1HB MET 1 1HB MET 1 -35.747 58.426 6.610 6 2HB MET 1 2HB MET 1 -35.148 57.552 8.009 7 1HG MET 1 1HG MET 1 -36.703 59.256 8.722 8 2HG MET 1 2HG MET 1 -35.088 59.644 9.296 9 1HE MET 1 1HE MET 1 -37.974 60.559 6.801 10 2HE MET 1 2HE MET 1 -36.696 60.096 5.680 11 3HE MET 1 3HE MET 1 -37.218 61.776 5.769 12 H MET 2 H MET 2 -32.510 56.669 7.863 13 HA MET 2 HA MET 2 -32.671 55.089 5.528 14 1HB MET 2 1HB MET 2 -30.390 55.167 4.762 15 2HB MET 2 2HB MET 2 -30.995 56.808 4.798 16 1HG MET 2 1HG MET 2 -29.191 55.538 6.835 17 2HG MET 2 2HG MET 2 -28.739 56.743 5.633 18 1HE MET 2 1HE MET 2 -28.309 56.840 8.922 19 2HE MET 2 2HE MET 2 -28.580 58.566 9.177 20 3HE MET 2 3HE MET 2 -27.629 58.025 7.794 21 H THR 3 H THR 3 -30.813 53.275 5.751 22 HA THR 3 HA THR 3 -30.499 52.665 8.619 23 HB THR 3 HB THR 3 -30.708 50.607 6.377 24 HG1 THR 3 HG1 THR 3 -32.680 51.872 6.926 25 1HG2 THR 3 1HG2 THR 3 -30.985 48.979 8.213 26 2HG2 THR 3 2HG2 THR 3 -30.793 50.288 9.396 27 3HG2 THR 3 3HG2 THR 3 -29.442 49.839 8.342 28 H ALA 4 H ALA 4 -28.491 53.511 8.880 29 HA ALA 4 HA ALA 4 -26.439 53.124 6.867 30 1HB ALA 4 1HB ALA 4 -26.722 55.317 7.893 31 2HB ALA 4 2HB ALA 4 -25.117 54.671 8.203 32 3HB ALA 4 3HB ALA 4 -26.345 54.640 9.472 33 H SER 5 H SER 5 -27.523 51.021 8.946 34 HA SER 5 HA SER 5 -25.274 50.247 10.476 35 1HB SER 5 1HB SER 5 -26.453 48.040 10.669 36 2HB SER 5 2HB SER 5 -27.483 49.420 11.066 37 HG SER 5 HG SER 5 -27.398 48.038 8.574 38 H ASP 6 H ASP 6 -23.583 50.519 8.914 39 HA ASP 6 HA ASP 6 -23.362 48.509 6.825 40 1HB ASP 6 1HB ASP 6 -21.305 49.574 6.173 41 2HB ASP 6 2HB ASP 6 -22.471 50.862 6.493 42 H ARG 7 H ARG 7 -22.070 46.741 6.905 43 HA ARG 7 HA ARG 7 -20.288 46.204 9.073 44 1HB ARG 7 1HB ARG 7 -21.651 44.233 9.912 45 2HB ARG 7 2HB ARG 7 -22.266 45.828 10.344 46 1HG ARG 7 1HG ARG 7 -23.921 45.680 8.542 47 2HG ARG 7 2HG ARG 7 -23.296 44.087 8.086 48 1HD ARG 7 1HD ARG 7 -24.490 44.796 10.761 49 2HD ARG 7 2HD ARG 7 -25.336 43.947 9.467 50 HE ARG 7 HE ARG 7 -23.052 42.489 9.947 51 1HH1 ARG 7 1HH1 ARG 7 -25.773 43.561 11.888 52 2HH1 ARG 7 2HH1 ARG 7 -25.745 42.156 12.906 53 1HH2 ARG 7 1HH2 ARG 7 -23.005 40.645 11.307 54 2HH2 ARG 7 2HH2 ARG 7 -24.187 40.498 12.591 55 H LEU 8 H LEU 8 -18.727 45.348 7.875 56 HA LEU 8 HA LEU 8 -19.338 43.373 5.822 57 1HB LEU 8 1HB LEU 8 -16.939 43.529 5.241 58 2HB LEU 8 2HB LEU 8 -17.770 45.073 5.157 59 HG LEU 8 HG LEU 8 -16.767 45.370 7.601 60 1HD1 LEU 8 1HD1 LEU 8 -15.783 43.178 7.795 61 2HD1 LEU 8 2HD1 LEU 8 -14.512 44.385 7.777 62 3HD1 LEU 8 3HD1 LEU 8 -14.819 43.433 6.325 63 1HD2 LEU 8 1HD2 LEU 8 -16.312 46.834 5.703 64 2HD2 LEU 8 2HD2 LEU 8 -15.116 45.692 5.083 65 3HD2 LEU 8 3HD2 LEU 8 -14.840 46.532 6.623 66 H GLY 9 H GLY 9 -18.541 41.223 5.946 67 1HA GLY 9 1HA GLY 9 -17.328 40.337 8.434 68 2HA GLY 9 2HA GLY 9 -19.001 39.874 8.201 69 H ALA 10 H ALA 10 -15.876 39.823 6.538 70 HA ALA 10 HA ALA 10 -16.631 37.364 5.138 71 1HB ALA 10 1HB ALA 10 -15.544 39.163 3.844 72 2HB ALA 10 2HB ALA 10 -14.588 37.687 3.880 73 3HB ALA 10 3HB ALA 10 -14.133 39.057 4.896 74 H ASP 11 H ASP 11 -14.388 35.974 4.911 75 HA ASP 11 HA ASP 11 -13.030 35.738 7.471 76 1HB ASP 11 1HB ASP 11 -13.509 33.429 7.838 77 2HB ASP 11 2HB ASP 11 -15.033 34.216 7.604 78 HA PRO 12 HA PRO 12 -9.914 34.760 4.417 79 1HB PRO 12 1HB PRO 12 -7.782 35.147 5.972 80 2HB PRO 12 2HB PRO 12 -8.878 36.484 5.626 81 1HG PRO 12 1HG PRO 12 -8.614 34.860 8.119 82 2HG PRO 12 2HG PRO 12 -8.994 36.585 7.915 83 1HD PRO 12 1HD PRO 12 -10.844 34.469 8.309 84 2HD PRO 12 2HD PRO 12 -11.222 36.146 7.902 85 H THR 13 H THR 13 -11.246 32.551 6.090 86 HA THR 13 HA THR 13 -9.285 30.834 7.131 87 HB THR 13 HB THR 13 -11.902 29.902 5.917 88 HG1 THR 13 HG1 THR 13 -12.683 31.363 7.297 89 1HG2 THR 13 1HG2 THR 13 -10.231 28.897 8.251 90 2HG2 THR 13 2HG2 THR 13 -10.375 28.129 6.669 91 3HG2 THR 13 3HG2 THR 13 -11.792 28.233 7.726 92 H GLN 14 H GLN 14 -7.559 30.461 5.811 93 HA GLN 14 HA GLN 14 -8.090 28.940 3.338 94 1HB GLN 14 1HB GLN 14 -7.024 31.151 2.870 95 2HB GLN 14 2HB GLN 14 -5.720 30.721 3.962 96 1HG GLN 14 1HG GLN 14 -4.949 30.435 1.732 97 2HG GLN 14 2HG GLN 14 -5.159 28.827 2.434 98 1HE2 GLN 14 2HE2 GLN 14 -5.075 29.643 -0.341 99 2HE2 GLN 14 1HE2 GLN 14 -6.560 29.135 -1.057 100 H ALA 15 H ALA 15 -8.124 27.010 4.494 101 HA ALA 15 HA ALA 15 -5.716 26.248 5.976 102 1HB ALA 15 1HB ALA 15 -7.008 24.299 6.693 103 2HB ALA 15 2HB ALA 15 -8.335 24.772 5.623 104 3HB ALA 15 3HB ALA 15 -7.912 25.779 7.006 105 H ALA 16 H ALA 16 -4.143 25.138 4.977 106 HA ALA 16 HA ALA 16 -4.815 23.553 2.600 107 1HB ALA 16 1HB ALA 16 -3.240 25.374 2.145 108 2HB ALA 16 2HB ALA 16 -2.469 23.807 1.931 109 3HB ALA 16 3HB ALA 16 -2.150 24.732 3.390 110 H SER 17 H SER 17 -4.938 21.455 2.988 111 HA SER 17 HA SER 17 -4.250 20.179 5.344 112 1HB SER 17 1HB SER 17 -4.492 18.909 2.606 113 2HB SER 17 2HB SER 17 -4.658 18.087 4.158 114 HG SER 17 HG SER 17 -6.319 20.131 4.195 115 H SER 18 H SER 18 -2.211 20.494 6.055 116 HA SER 18 HA SER 18 0.094 20.360 4.398 117 1HB SER 18 1HB SER 18 -0.035 20.209 7.407 118 2HB SER 18 2HB SER 18 1.323 20.737 6.415 119 HG SER 18 HG SER 18 -0.959 22.152 5.870 120 HA PRO 19 HA PRO 19 0.263 15.839 4.521 121 1HB PRO 19 1HB PRO 19 2.672 16.242 2.843 122 2HB PRO 19 2HB PRO 19 1.183 15.355 2.491 123 1HG PRO 19 1HG PRO 19 1.752 17.697 1.294 124 2HG PRO 19 2HG PRO 19 0.094 17.236 1.708 125 1HD PRO 19 1HD PRO 19 1.975 19.076 3.166 126 2HD PRO 19 2HD PRO 19 0.249 19.284 2.803 127 H GLY 20 H GLY 20 2.803 18.142 5.259 128 1HA GLY 20 1HA GLY 20 4.313 18.073 7.039 129 2HA GLY 20 2HA GLY 20 3.825 16.412 7.330 130 H GLY 21 H GLY 21 4.438 14.900 5.368 131 1HA GLY 21 1HA GLY 21 6.357 15.202 3.557 132 2HA GLY 21 2HA GLY 21 7.311 15.223 5.024 133 H ALA 22 H ALA 22 8.092 13.319 5.643 134 HA ALA 22 HA ALA 22 7.026 10.917 4.340 135 1HB ALA 22 1HB ALA 22 9.699 11.360 5.685 136 2HB ALA 22 2HB ALA 22 9.415 11.420 3.956 137 3HB ALA 22 3HB ALA 22 9.207 9.899 4.825 138 H ARG 23 H ARG 23 6.559 9.050 5.567 139 HA ARG 23 HA ARG 23 6.831 9.199 8.472 140 1HB ARG 23 1HB ARG 23 4.468 8.603 8.866 141 2HB ARG 23 2HB ARG 23 4.631 10.181 8.113 142 1HG ARG 23 1HG ARG 23 4.020 7.694 6.517 143 2HG ARG 23 2HG ARG 23 2.761 8.662 7.276 144 1HD ARG 23 1HD ARG 23 3.650 10.650 6.025 145 2HD ARG 23 2HD ARG 23 4.705 9.531 5.158 146 HE ARG 23 HE ARG 23 2.133 8.536 4.889 147 1HH1 ARG 23 1HH1 ARG 23 3.867 11.440 3.973 148 2HH1 ARG 23 2HH1 ARG 23 2.818 11.779 2.619 149 1HH2 ARG 23 1HH2 ARG 23 0.767 9.003 3.090 150 2HH2 ARG 23 2HH2 ARG 23 1.078 10.414 2.135 151 H ALA 24 H ALA 24 6.282 7.114 9.497 152 HA ALA 24 HA ALA 24 6.984 4.853 7.703 153 1HB ALA 24 1HB ALA 24 8.724 5.404 9.355 154 2HB ALA 24 2HB ALA 24 8.046 3.790 9.618 155 3HB ALA 24 3HB ALA 24 7.567 5.137 10.669 156 H VAL 25 H VAL 25 5.420 3.462 7.392 157 HA VAL 25 HA VAL 25 3.225 3.219 9.359 158 HB VAL 25 HB VAL 25 1.782 2.503 7.526 159 1HG1 VAL 25 1HG1 VAL 25 1.679 4.592 6.225 160 2HG1 VAL 25 2HG1 VAL 25 3.268 5.046 6.835 161 3HG1 VAL 25 3HG1 VAL 25 1.917 4.897 7.950 162 1HG2 VAL 25 1HG2 VAL 25 4.217 2.869 5.771 163 2HG2 VAL 25 2HG2 VAL 25 2.577 2.550 5.184 164 3HG2 VAL 25 3HG2 VAL 25 3.424 1.339 6.149 165 H SER 26 H SER 26 2.551 1.130 9.961 166 HA SER 26 HA SER 26 4.646 -0.868 9.521 167 1HB SER 26 1HB SER 26 3.694 -1.897 11.614 168 2HB SER 26 2HB SER 26 4.300 -0.254 11.845 169 HG SER 26 HG SER 26 1.679 -0.283 11.113 170 H ILE 27 H ILE 27 4.119 -3.041 9.370 171 HA ILE 27 HA ILE 27 1.443 -3.716 8.333 172 HB ILE 27 HB ILE 27 4.128 -4.668 7.315 173 1HG1 ILE 27 1HG1 ILE 27 3.048 -4.226 5.084 174 2HG1 ILE 27 2HG1 ILE 27 1.683 -3.520 5.938 175 1HG2 ILE 27 1HG2 ILE 27 1.465 -6.018 6.891 176 2HG2 ILE 27 2HG2 ILE 27 2.867 -6.680 7.721 177 3HG2 ILE 27 3HG2 ILE 27 2.931 -6.388 5.980 178 1HD1 ILE 27 1HD1 ILE 27 4.525 -2.550 6.025 179 2HD1 ILE 27 2HD1 ILE 27 3.158 -1.796 6.846 180 3HD1 ILE 27 3HD1 ILE 27 3.224 -1.832 5.088 181 H VAL 28 H VAL 28 0.439 -5.204 9.542 182 HA VAL 28 HA VAL 28 2.057 -6.577 11.579 183 HB VAL 28 HB VAL 28 -0.142 -6.963 12.745 184 1HG1 VAL 28 1HG1 VAL 28 0.586 -4.080 12.200 185 2HG1 VAL 28 2HG1 VAL 28 1.356 -5.140 13.377 186 3HG1 VAL 28 3HG1 VAL 28 -0.334 -4.673 13.595 187 1HG2 VAL 28 1HG2 VAL 28 -2.077 -5.611 12.093 188 2HG2 VAL 28 2HG2 VAL 28 -1.645 -6.731 10.796 189 3HG2 VAL 28 3HG2 VAL 28 -1.208 -5.024 10.670 190 H GLY 29 H GLY 29 2.738 -8.445 10.712 191 1HA GLY 29 1HA GLY 29 2.610 -10.630 9.993 192 2HA GLY 29 2HA GLY 29 0.855 -10.489 9.957 193 H ASN 30 H ASN 30 -0.066 -9.187 8.196 194 HA ASN 30 HA ASN 30 1.591 -8.325 6.022 195 1HB ASN 30 1HB ASN 30 0.761 -9.724 4.286 196 2HB ASN 30 2HB ASN 30 1.238 -10.821 5.579 197 1HD2 ASN 30 2HD2 ASN 30 -0.719 -10.991 3.323 198 2HD2 ASN 30 1HD2 ASN 30 -2.202 -11.499 4.075 199 H GLN 31 H GLN 31 -0.495 -7.478 8.033 200 HA GLN 31 HA GLN 31 -2.635 -6.551 6.225 201 1HB GLN 31 1HB GLN 31 -2.866 -7.902 8.621 202 2HB GLN 31 2HB GLN 31 -2.978 -6.245 9.169 203 1HG GLN 31 1HG GLN 31 -4.749 -7.477 7.068 204 2HG GLN 31 2HG GLN 31 -5.161 -7.337 8.775 205 1HE2 GLN 31 2HE2 GLN 31 -3.963 -4.687 9.063 206 2HE2 GLN 31 1HE2 GLN 31 -5.038 -3.594 8.263 207 H ILE 32 H ILE 32 -3.352 -4.341 6.495 208 HA ILE 32 HA ILE 32 -1.822 -2.435 7.978 209 HB ILE 32 HB ILE 32 -0.273 -2.836 6.061 210 1HG1 ILE 32 1HG1 ILE 32 -1.562 -0.087 6.062 211 2HG1 ILE 32 2HG1 ILE 32 -0.324 -0.648 7.188 212 1HG2 ILE 32 1HG2 ILE 32 -1.925 -3.436 4.361 213 2HG2 ILE 32 2HG2 ILE 32 -0.880 -2.134 3.797 214 3HG2 ILE 32 3HG2 ILE 32 -2.514 -1.766 4.348 215 1HD1 ILE 32 1HD1 ILE 32 0.010 -0.317 4.225 216 2HD1 ILE 32 2HD1 ILE 32 1.261 -0.845 5.355 217 3HD1 ILE 32 3HD1 ILE 32 0.602 0.787 5.464 218 H ASP 33 H ASP 33 -2.861 -0.364 7.952 219 HA ASP 33 HA ASP 33 -5.645 -0.523 6.958 220 1HB ASP 33 1HB ASP 33 -5.123 -0.222 9.468 221 2HB ASP 33 2HB ASP 33 -4.630 1.396 9.047 222 H SER 34 H SER 34 -6.555 1.226 5.862 223 HA SER 34 HA SER 34 -4.923 2.641 4.092 224 1HB SER 34 1HB SER 34 -7.790 3.203 4.853 225 2HB SER 34 2HB SER 34 -6.981 3.784 3.394 226 HG SER 34 HG SER 34 -7.217 1.038 4.036 227 H ARG 35 H ARG 35 -5.980 3.415 7.294 228 HA ARG 35 HA ARG 35 -5.773 6.232 7.178 229 1HB ARG 35 1HB ARG 35 -5.607 4.213 9.444 230 2HB ARG 35 2HB ARG 35 -5.412 5.939 9.733 231 1HG ARG 35 1HG ARG 35 -7.833 4.648 8.498 232 2HG ARG 35 2HG ARG 35 -7.682 5.152 10.180 233 1HD ARG 35 1HD ARG 35 -7.225 7.464 9.385 234 2HD ARG 35 2HD ARG 35 -7.568 6.922 7.745 235 HE ARG 35 HE ARG 35 -9.796 6.213 9.095 236 1HH1 ARG 35 1HH1 ARG 35 -8.045 9.229 8.905 237 2HH1 ARG 35 2HH1 ARG 35 -9.471 10.202 9.095 238 1HH2 ARG 35 1HH2 ARG 35 -11.672 7.462 9.338 239 2HH2 ARG 35 2HH2 ARG 35 -11.528 9.200 9.361 240 H GLU 36 H GLU 36 -3.461 3.670 7.937 241 HA GLU 36 HA GLU 36 -1.323 5.203 8.779 242 1HB GLU 36 1HB GLU 36 -1.237 2.644 7.178 243 2HB GLU 36 2HB GLU 36 0.068 3.278 8.175 244 1HG GLU 36 1HG GLU 36 -1.426 3.087 10.162 245 2HG GLU 36 2HG GLU 36 -2.626 2.320 9.132 246 H LEU 37 H LEU 37 -2.129 4.167 5.482 247 HA LEU 37 HA LEU 37 0.167 5.430 4.308 248 1HB LEU 37 1HB LEU 37 -2.327 4.315 3.042 249 2HB LEU 37 2HB LEU 37 -0.899 4.799 2.157 250 HG LEU 37 HG LEU 37 -0.951 2.586 4.227 251 1HD1 LEU 37 1HD1 LEU 37 -0.851 1.041 2.330 252 2HD1 LEU 37 2HD1 LEU 37 -1.033 2.388 1.202 253 3HD1 LEU 37 3HD1 LEU 37 -2.340 1.967 2.322 254 1HD2 LEU 37 1HD2 LEU 37 1.154 3.387 2.208 255 2HD2 LEU 37 2HD2 LEU 37 1.236 1.979 3.265 256 3HD2 LEU 37 3HD2 LEU 37 1.250 3.597 3.959 257 H PHE 38 H PHE 38 -3.343 6.081 4.213 258 HA PHE 38 HA PHE 38 -2.898 8.567 2.772 259 1HB PHE 38 1HB PHE 38 -5.494 7.226 3.597 260 2HB PHE 38 2HB PHE 38 -5.339 8.618 2.530 261 HD1 PHE 38 HD2 PHE 38 -4.217 8.350 0.311 262 HD2 PHE 38 HD1 PHE 38 -5.268 5.026 2.771 263 HE1 PHE 38 HE2 PHE 38 -4.040 6.853 -1.636 264 HE2 PHE 38 HE1 PHE 38 -5.081 3.524 0.815 265 HZ PHE 38 HZ PHE 38 -4.468 4.456 -1.396 266 H THR 39 H THR 39 -2.112 8.291 5.594 267 HA THR 39 HA THR 39 -3.845 9.513 7.384 268 HB THR 39 HB THR 39 -1.778 8.406 8.083 269 HG1 THR 39 HG1 THR 39 -2.186 9.610 9.765 270 1HG2 THR 39 1HG2 THR 39 -0.339 10.831 6.975 271 2HG2 THR 39 2HG2 THR 39 -0.302 9.214 6.282 272 3HG2 THR 39 3HG2 THR 39 0.408 9.492 7.868 273 H VAL 40 H VAL 40 -1.896 10.884 4.847 274 HA VAL 40 HA VAL 40 -2.991 13.536 5.439 275 HB VAL 40 HB VAL 40 -0.770 14.554 4.714 276 1HG1 VAL 40 1HG1 VAL 40 -0.819 12.980 7.306 277 2HG1 VAL 40 2HG1 VAL 40 -1.442 14.610 7.049 278 3HG1 VAL 40 3HG1 VAL 40 0.279 14.301 6.931 279 1HG2 VAL 40 1HG2 VAL 40 1.238 13.170 5.005 280 2HG2 VAL 40 2HG2 VAL 40 0.238 12.597 3.677 281 3HG2 VAL 40 3HG2 VAL 40 0.237 11.738 5.217 282 H ASP 41 H ASP 41 -1.370 11.453 3.095 283 HA ASP 41 HA ASP 41 -2.231 13.156 0.873 284 1HB ASP 41 1HB ASP 41 -0.484 10.685 0.929 285 2HB ASP 41 2HB ASP 41 -0.885 11.593 -0.516 286 H ARG 42 H ARG 42 -4.266 12.869 0.309 287 HA ARG 42 HA ARG 42 -5.792 10.558 0.374 288 1HB ARG 42 1HB ARG 42 -6.586 12.935 -0.087 289 2HB ARG 42 2HB ARG 42 -6.036 12.702 -1.743 290 1HG ARG 42 1HG ARG 42 -7.617 10.827 -2.004 291 2HG ARG 42 2HG ARG 42 -8.191 11.117 -0.364 292 1HD ARG 42 1HD ARG 42 -8.825 13.402 -1.031 293 2HD ARG 42 2HD ARG 42 -8.350 13.022 -2.686 294 HE ARG 42 HE ARG 42 -10.394 11.369 -1.381 295 1HH1 ARG 42 1HH1 ARG 42 -9.552 13.738 -3.811 296 2HH1 ARG 42 2HH1 ARG 42 -11.110 13.678 -4.580 297 1HH2 ARG 42 1HH2 ARG 42 -12.435 11.299 -2.398 298 2HH2 ARG 42 2HH2 ARG 42 -12.731 12.255 -3.815 299 H GLU 43 H GLU 43 -3.044 11.028 -1.455 300 HA GLU 43 HA GLU 43 -3.669 8.734 -3.130 301 1HB GLU 43 1HB GLU 43 -4.169 10.747 -4.545 302 2HB GLU 43 2HB GLU 43 -2.494 11.240 -4.339 303 1HG GLU 43 1HG GLU 43 -1.732 9.213 -5.443 304 2HG GLU 43 2HG GLU 43 -3.407 8.684 -5.631 305 H ILE 44 H ILE 44 -1.969 7.418 -3.417 306 HA ILE 44 HA ILE 44 0.651 8.215 -2.340 307 HB ILE 44 HB ILE 44 -0.750 5.555 -1.957 308 1HG1 ILE 44 1HG1 ILE 44 -1.608 7.375 -0.503 309 2HG1 ILE 44 2HG1 ILE 44 -0.828 6.104 0.421 310 1HG2 ILE 44 1HG2 ILE 44 1.181 4.881 -0.617 311 2HG2 ILE 44 2HG2 ILE 44 1.981 6.411 -0.973 312 3HG2 ILE 44 3HG2 ILE 44 1.653 5.255 -2.274 313 1HD1 ILE 44 1HD1 ILE 44 1.191 7.492 0.599 314 2HD1 ILE 44 2HD1 ILE 44 -0.226 8.289 1.287 315 3HD1 ILE 44 3HD1 ILE 44 0.370 8.766 -0.304 316 H VAL 45 H VAL 45 2.412 7.438 -3.461 317 HA VAL 45 HA VAL 45 1.837 6.196 -6.064 318 HB VAL 45 HB VAL 45 4.357 7.657 -5.174 319 1HG1 VAL 45 1HG1 VAL 45 3.534 6.684 -7.910 320 2HG1 VAL 45 2HG1 VAL 45 4.802 5.980 -6.908 321 3HG1 VAL 45 3HG1 VAL 45 4.982 7.623 -7.536 322 1HG2 VAL 45 1HG2 VAL 45 2.479 9.202 -5.315 323 2HG2 VAL 45 2HG2 VAL 45 2.052 8.586 -6.920 324 3HG2 VAL 45 3HG2 VAL 45 3.566 9.461 -6.682 325 H ILE 46 H ILE 46 2.965 4.375 -6.731 326 HA ILE 46 HA ILE 46 4.484 2.924 -4.663 327 HB ILE 46 HB ILE 46 2.188 1.724 -6.258 328 1HG1 ILE 46 1HG1 ILE 46 2.489 2.203 -3.278 329 2HG1 ILE 46 2HG1 ILE 46 1.412 3.091 -4.351 330 1HG2 ILE 46 1HG2 ILE 46 2.655 -0.337 -4.975 331 2HG2 ILE 46 2HG2 ILE 46 4.104 0.447 -4.304 332 3HG2 ILE 46 3HG2 ILE 46 3.986 0.133 -6.032 333 1HD1 ILE 46 1HD1 ILE 46 0.161 1.464 -3.107 334 2HD1 ILE 46 2HD1 ILE 46 1.241 0.177 -3.627 335 3HD1 ILE 46 3HD1 ILE 46 0.196 0.973 -4.801 336 H ALA 47 H ALA 47 6.408 2.569 -5.597 337 HA ALA 47 HA ALA 47 6.649 2.317 -8.459 338 1HB ALA 47 1HB ALA 47 8.766 2.212 -6.319 339 2HB ALA 47 2HB ALA 47 8.247 3.649 -7.191 340 3HB ALA 47 3HB ALA 47 9.045 2.341 -8.065 341 H HIS 48 H HIS 48 6.955 0.451 -9.558 342 HA HIS 48 HA HIS 48 8.017 -1.905 -8.198 343 1HB HIS 48 1HB HIS 48 5.730 -2.486 -7.991 344 2HB HIS 48 2HB HIS 48 5.306 -1.776 -9.539 345 HD1 HIS 48 HD1 HIS 48 7.324 -4.752 -8.232 346 HD2 HIS 48 HD2 HIS 48 5.123 -3.575 -11.552 347 HE1 HIS 48 HE1 HIS 48 7.267 -6.747 -9.758 348 HE2 HIS 48 HE2 HIS 48 6.161 -5.906 -11.855 349 H GLY 49 H GLY 49 9.888 -1.819 -9.411 350 1HA GLY 49 1HA GLY 49 11.098 -2.646 -11.199 351 2HA GLY 49 2HA GLY 49 9.617 -2.763 -12.155 352 H ASP 50 H ASP 50 10.516 0.061 -10.347 353 HA ASP 50 HA ASP 50 11.084 2.181 -10.894 354 1HB ASP 50 1HB ASP 50 12.131 0.862 -13.403 355 2HB ASP 50 2HB ASP 50 12.210 2.610 -13.144 356 H ASP 51 H ASP 51 8.552 0.562 -12.184 357 HA ASP 51 HA ASP 51 7.564 2.763 -13.778 358 1HB ASP 51 1HB ASP 51 7.076 0.313 -14.317 359 2HB ASP 51 2HB ASP 51 6.063 0.285 -12.884 360 H ARG 52 H ARG 52 5.285 3.609 -13.090 361 HA ARG 52 HA ARG 52 5.388 4.059 -10.185 362 1HB ARG 52 1HB ARG 52 4.828 6.116 -12.349 363 2HB ARG 52 2HB ARG 52 4.691 6.414 -10.624 364 1HG ARG 52 1HG ARG 52 7.206 5.667 -12.096 365 2HG ARG 52 2HG ARG 52 6.798 7.264 -11.486 366 1HD ARG 52 1HD ARG 52 6.933 6.545 -9.226 367 2HD ARG 52 2HD ARG 52 7.007 4.843 -9.698 368 HE ARG 52 HE ARG 52 9.192 6.069 -10.870 369 1HH1 ARG 52 1HH1 ARG 52 8.034 5.603 -7.602 370 2HH1 ARG 52 2HH1 ARG 52 9.631 5.554 -6.924 371 1HH2 ARG 52 1HH2 ARG 52 11.277 6.001 -9.968 372 2HH2 ARG 52 2HH2 ARG 52 11.476 5.751 -8.252 373 H TYR 53 H TYR 53 3.688 3.275 -9.292 374 HA TYR 53 HA TYR 53 1.081 3.356 -10.646 375 1HB TYR 53 1HB TYR 53 2.150 1.606 -8.407 376 2HB TYR 53 2HB TYR 53 0.433 1.687 -8.807 377 HD1 TYR 53 HD2 TYR 53 3.760 0.935 -10.317 378 HD2 TYR 53 HD1 TYR 53 -0.436 0.307 -10.457 379 HE1 TYR 53 HE2 TYR 53 4.081 -0.751 -12.062 380 HE2 TYR 53 HE1 TYR 53 -0.143 -1.390 -12.211 381 HH TYR 53 HH TYR 53 2.971 -2.615 -13.078 382 H ARG 54 H ARG 54 -0.781 3.816 -9.236 383 HA ARG 54 HA ARG 54 -0.115 5.622 -6.999 384 1HB ARG 54 1HB ARG 54 -2.038 6.174 -9.281 385 2HB ARG 54 2HB ARG 54 -1.931 7.143 -7.834 386 1HG ARG 54 1HG ARG 54 0.166 7.992 -8.381 387 2HG ARG 54 2HG ARG 54 0.505 6.691 -9.530 388 1HD ARG 54 1HD ARG 54 0.054 8.790 -10.687 389 2HD ARG 54 2HD ARG 54 -1.166 7.572 -11.051 390 HE ARG 54 HE ARG 54 -1.796 9.469 -8.927 391 1HH1 ARG 54 1HH1 ARG 54 -2.228 8.453 -12.247 392 2HH1 ARG 54 2HH1 ARG 54 -3.625 9.455 -12.512 393 1HH2 ARG 54 1HH2 ARG 54 -3.637 10.768 -9.232 394 2HH2 ARG 54 2HH2 ARG 54 -4.428 10.802 -10.783 395 H LEU 55 H LEU 55 -0.924 4.592 -5.313 396 HA LEU 55 HA LEU 55 -3.526 3.290 -5.407 397 1HB LEU 55 1HB LEU 55 -1.616 2.287 -4.144 398 2HB LEU 55 2HB LEU 55 -1.613 3.686 -3.089 399 HG LEU 55 HG LEU 55 -3.940 3.090 -2.383 400 1HD1 LEU 55 1HD1 LEU 55 -4.773 0.832 -2.837 401 2HD1 LEU 55 2HD1 LEU 55 -3.418 0.572 -3.929 402 3HD1 LEU 55 3HD1 LEU 55 -4.616 1.792 -4.306 403 1HD2 LEU 55 1HD2 LEU 55 -1.835 0.987 -1.912 404 2HD2 LEU 55 2HD2 LEU 55 -3.274 1.230 -0.927 405 3HD2 LEU 55 3HD2 LEU 55 -2.025 2.481 -0.989 406 H ARG 56 H ARG 56 -5.285 4.519 -5.163 407 HA ARG 56 HA ARG 56 -4.963 7.096 -3.755 408 1HB ARG 56 1HB ARG 56 -5.100 7.485 -6.159 409 2HB ARG 56 2HB ARG 56 -6.556 6.503 -6.265 410 1HG ARG 56 1HG ARG 56 -7.838 8.133 -5.117 411 2HG ARG 56 2HG ARG 56 -6.388 9.037 -4.652 412 1HD ARG 56 1HD ARG 56 -7.551 10.147 -6.495 413 2HD ARG 56 2HD ARG 56 -5.977 9.562 -7.011 414 HE ARG 56 HE ARG 56 -8.479 8.109 -7.625 415 1HH1 ARG 56 1HH1 ARG 56 -5.378 9.420 -8.608 416 2HH1 ARG 56 2HH1 ARG 56 -5.518 8.846 -10.246 417 1HH2 ARG 56 1HH2 ARG 56 -8.675 7.430 -9.782 418 2HH2 ARG 56 2HH2 ARG 56 -7.381 7.724 -10.903 419 H LEU 57 H LEU 57 -6.583 7.750 -2.430 420 HA LEU 57 HA LEU 57 -8.647 5.753 -1.822 421 1HB LEU 57 1HB LEU 57 -7.057 6.291 -0.013 422 2HB LEU 57 2HB LEU 57 -7.578 7.967 -0.076 423 HG LEU 57 HG LEU 57 -9.864 7.264 0.584 424 1HD1 LEU 57 1HD1 LEU 57 -8.583 4.541 0.945 425 2HD1 LEU 57 2HD1 LEU 57 -9.826 4.973 -0.240 426 3HD1 LEU 57 3HD1 LEU 57 -10.195 4.994 1.483 427 1HD2 LEU 57 1HD2 LEU 57 -9.369 6.863 2.914 428 2HD2 LEU 57 2HD2 LEU 57 -8.227 8.036 2.244 429 3HD2 LEU 57 3HD2 LEU 57 -7.734 6.365 2.516 430 H THR 58 H THR 58 -10.774 6.344 -1.750 431 HA THR 58 HA THR 58 -11.531 8.838 -3.037 432 HB THR 58 HB THR 58 -13.819 7.943 -2.905 433 HG1 THR 58 HG1 THR 58 -12.541 6.091 -1.252 434 1HG2 THR 58 1HG2 THR 58 -12.398 7.268 -4.789 435 2HG2 THR 58 2HG2 THR 58 -13.525 5.976 -4.348 436 3HG2 THR 58 3HG2 THR 58 -11.831 5.873 -3.864 437 H SER 59 H SER 59 -13.699 9.789 -1.911 438 HA SER 59 HA SER 59 -12.869 11.069 0.417 439 1HB SER 59 1HB SER 59 -15.695 10.615 -0.560 440 2HB SER 59 2HB SER 59 -15.178 11.869 0.551 441 HG SER 59 HG SER 59 -14.011 12.837 -1.069 442 H GLN 60 H GLN 60 -15.439 8.568 0.178 443 HA GLN 60 HA GLN 60 -14.727 7.671 2.919 444 1HB GLN 60 1HB GLN 60 -17.525 8.130 1.845 445 2HB GLN 60 2HB GLN 60 -17.160 7.351 3.381 446 1HG GLN 60 1HG GLN 60 -16.423 10.194 2.695 447 2HG GLN 60 2HG GLN 60 -17.870 9.723 3.585 448 1HE2 GLN 60 2HE2 GLN 60 -14.480 10.245 3.713 449 2HE2 GLN 60 1HE2 GLN 60 -14.269 9.936 5.397 450 H ASN 61 H ASN 61 -15.620 6.801 -0.335 451 HA ASN 61 HA ASN 61 -17.005 4.399 0.429 452 1HB ASN 61 1HB ASN 61 -17.110 3.890 -2.005 453 2HB ASN 61 2HB ASN 61 -17.808 5.429 -1.553 454 1HD2 ASN 61 2HD2 ASN 61 -16.754 7.346 -2.168 455 2HD2 ASN 61 1HD2 ASN 61 -15.576 7.350 -3.431 456 H LYS 62 H LYS 62 -14.023 4.653 -1.621 457 HA LYS 62 HA LYS 62 -12.970 2.288 -0.281 458 1HB LYS 62 1HB LYS 62 -12.840 0.942 -2.351 459 2HB LYS 62 2HB LYS 62 -14.518 1.290 -1.928 460 1HG LYS 62 1HG LYS 62 -14.474 3.164 -3.563 461 2HG LYS 62 2HG LYS 62 -12.858 2.629 -4.063 462 1HD LYS 62 1HD LYS 62 -13.713 0.554 -4.863 463 2HD LYS 62 2HD LYS 62 -15.302 0.858 -4.139 464 1HE LYS 62 1HE LYS 62 -14.040 2.417 -6.388 465 2HE LYS 62 2HE LYS 62 -15.365 1.270 -6.532 466 1HZ LYS 62 1HZ LYS 62 -15.462 3.788 -4.945 467 2HZ LYS 62 2HZ LYS 62 -16.750 2.711 -5.215 468 3HZ LYS 62 3HZ LYS 62 -16.102 3.588 -6.499 469 H LEU 63 H LEU 63 -11.078 1.505 -2.093 470 HA LEU 63 HA LEU 63 -9.630 3.909 -2.964 471 1HB LEU 63 1HB LEU 63 -7.516 2.998 -2.185 472 2HB LEU 63 2HB LEU 63 -8.607 3.304 -0.854 473 HG LEU 63 HG LEU 63 -8.217 0.545 -2.043 474 1HD1 LEU 63 1HD1 LEU 63 -6.742 1.787 0.303 475 2HD1 LEU 63 2HD1 LEU 63 -6.055 1.362 -1.264 476 3HD1 LEU 63 3HD1 LEU 63 -6.647 0.099 -0.200 477 1HD2 LEU 63 1HD2 LEU 63 -9.255 1.444 0.655 478 2HD2 LEU 63 2HD2 LEU 63 -9.087 -0.222 0.105 479 3HD2 LEU 63 3HD2 LEU 63 -10.242 0.847 -0.680 480 H ILE 64 H ILE 64 -7.858 3.297 -4.522 481 HA ILE 64 HA ILE 64 -8.387 0.881 -6.052 482 HB ILE 64 HB ILE 64 -8.608 2.178 -8.171 483 1HG1 ILE 64 1HG1 ILE 64 -9.143 4.521 -6.306 484 2HG1 ILE 64 2HG1 ILE 64 -7.700 4.355 -7.298 485 1HG2 ILE 64 1HG2 ILE 64 -10.827 2.621 -6.159 486 2HG2 ILE 64 2HG2 ILE 64 -10.554 1.157 -7.097 487 3HG2 ILE 64 3HG2 ILE 64 -10.993 2.657 -7.918 488 1HD1 ILE 64 1HD1 ILE 64 -10.521 4.630 -8.281 489 2HD1 ILE 64 2HD1 ILE 64 -9.103 4.428 -9.301 490 3HD1 ILE 64 3HD1 ILE 64 -9.277 5.878 -8.309 491 H LEU 65 H LEU 65 -6.860 0.756 -7.953 492 HA LEU 65 HA LEU 65 -4.295 2.135 -7.412 493 1HB LEU 65 1HB LEU 65 -4.216 -0.195 -6.603 494 2HB LEU 65 2HB LEU 65 -4.694 -0.775 -8.181 495 HG LEU 65 HG LEU 65 -2.586 0.202 -9.100 496 1HD1 LEU 65 1HD1 LEU 65 -2.163 1.875 -7.368 497 2HD1 LEU 65 2HD1 LEU 65 -0.781 0.787 -7.557 498 3HD1 LEU 65 3HD1 LEU 65 -1.871 0.592 -6.188 499 1HD2 LEU 65 1HD2 LEU 65 -1.121 -1.560 -8.288 500 2HD2 LEU 65 2HD2 LEU 65 -2.749 -2.164 -8.578 501 3HD2 LEU 65 3HD2 LEU 65 -2.216 -1.847 -6.922 502 H THR 66 H THR 66 -3.884 3.399 -9.079 503 HA THR 66 HA THR 66 -4.275 2.430 -11.821 504 HB THR 66 HB THR 66 -6.294 3.748 -11.310 505 HG1 THR 66 HG1 THR 66 -4.824 5.588 -12.836 506 1HG2 THR 66 1HG2 THR 66 -5.362 5.117 -9.490 507 2HG2 THR 66 2HG2 THR 66 -6.147 6.118 -10.716 508 3HG2 THR 66 3HG2 THR 66 -4.386 5.991 -10.656 509 H LYS 67 H LYS 67 -3.174 4.046 -13.374 510 HA LYS 67 HA LYS 67 -1.228 5.774 -12.078 511 1HB LYS 67 1HB LYS 67 0.632 4.841 -13.556 512 2HB LYS 67 2HB LYS 67 0.154 3.864 -12.186 513 1HG LYS 67 1HG LYS 67 -1.110 2.386 -13.642 514 2HG LYS 67 2HG LYS 67 -0.727 3.402 -15.050 515 1HD LYS 67 1HD LYS 67 1.665 2.936 -14.718 516 2HD LYS 67 2HD LYS 67 1.276 1.939 -13.314 517 1HE LYS 67 1HE LYS 67 0.063 0.375 -14.734 518 2HE LYS 67 2HE LYS 67 0.369 1.394 -16.151 519 1HZ LYS 67 1HZ LYS 67 2.508 0.157 -14.495 520 2HZ LYS 67 2HZ LYS 67 2.681 0.954 -15.987 521 3HZ LYS 67 3HZ LYS 67 1.887 -0.533 -15.915 522 1H MET 1 1H MET 1 -16.649 -47.222 44.424 523 2H MET 1 2H MET 1 -17.397 -45.878 45.120 524 3H MET 1 3H MET 1 -16.578 -45.710 43.654 525 HA MET 1 HA MET 1 -18.152 -47.139 42.548 526 1HB MET 1 1HB MET 1 -18.798 -48.528 44.461 527 2HB MET 1 2HB MET 1 -19.560 -47.136 45.237 528 1HG MET 1 1HG MET 1 -21.209 -47.025 43.420 529 2HG MET 1 2HG MET 1 -20.440 -48.430 42.664 530 1HE MET 1 1HE MET 1 -20.956 -47.880 46.537 531 2HE MET 1 2HE MET 1 -22.528 -48.612 46.781 532 3HE MET 1 3HE MET 1 -22.367 -47.119 45.830 533 H MET 2 H MET 2 -18.727 -44.586 44.907 534 HA MET 2 HA MET 2 -20.945 -43.519 43.374 535 1HB MET 2 1HB MET 2 -21.107 -41.836 45.180 536 2HB MET 2 2HB MET 2 -21.096 -43.472 45.811 537 1HG MET 2 1HG MET 2 -18.701 -43.240 46.368 538 2HG MET 2 2HG MET 2 -18.746 -41.578 45.754 539 1HE MET 2 1HE MET 2 -18.406 -41.233 49.688 540 2HE MET 2 2HE MET 2 -17.635 -40.894 48.155 541 3HE MET 2 3HE MET 2 -17.765 -42.561 48.718 542 H THR 3 H THR 3 -17.870 -43.436 42.598 543 HA THR 3 HA THR 3 -18.061 -40.734 41.466 544 HB THR 3 HB THR 3 -15.598 -41.707 42.944 545 HG1 THR 3 HG1 THR 3 -16.945 -39.371 43.681 546 1HG2 THR 3 1HG2 THR 3 -14.717 -39.447 42.504 547 2HG2 THR 3 2HG2 THR 3 -16.128 -39.075 41.530 548 3HG2 THR 3 3HG2 THR 3 -15.008 -40.326 41.007 549 H ALA 4 H ALA 4 -18.096 -41.193 39.353 550 HA ALA 4 HA ALA 4 -16.433 -43.268 38.226 551 1HB ALA 4 1HB ALA 4 -17.429 -42.607 36.077 552 2HB ALA 4 2HB ALA 4 -18.251 -41.255 36.866 553 3HB ALA 4 3HB ALA 4 -18.660 -42.911 37.308 554 H SER 5 H SER 5 -14.304 -42.686 38.467 555 HA SER 5 HA SER 5 -13.512 -39.984 37.609 556 1HB SER 5 1HB SER 5 -11.427 -40.490 38.953 557 2HB SER 5 2HB SER 5 -12.924 -40.401 39.882 558 HG SER 5 HG SER 5 -12.403 -42.326 40.566 559 H ASP 6 H ASP 6 -12.061 -39.629 36.057 560 HA ASP 6 HA ASP 6 -10.377 -41.793 35.043 561 1HB ASP 6 1HB ASP 6 -12.257 -41.581 33.442 562 2HB ASP 6 2HB ASP 6 -11.965 -39.855 33.319 563 H ARG 7 H ARG 7 -8.357 -41.030 34.210 564 HA ARG 7 HA ARG 7 -7.768 -38.199 34.504 565 1HB ARG 7 1HB ARG 7 -5.733 -38.725 35.918 566 2HB ARG 7 2HB ARG 7 -7.288 -38.961 36.719 567 1HG ARG 7 1HG ARG 7 -7.135 -41.383 36.330 568 2HG ARG 7 2HG ARG 7 -5.587 -41.148 35.514 569 1HD ARG 7 1HD ARG 7 -5.387 -41.871 37.916 570 2HD ARG 7 2HD ARG 7 -4.542 -40.373 37.527 571 HE ARG 7 HE ARG 7 -6.359 -39.163 38.570 572 1HH1 ARG 7 1HH1 ARG 7 -6.245 -42.596 39.256 573 2HH1 ARG 7 2HH1 ARG 7 -7.076 -42.432 40.781 574 1HH2 ARG 7 1HH2 ARG 7 -7.431 -38.944 40.555 575 2HH2 ARG 7 2HH2 ARG 7 -7.729 -40.361 41.518 576 H LEU 8 H LEU 8 -7.947 -39.908 32.215 577 HA LEU 8 HA LEU 8 -5.128 -39.915 31.295 578 1HB LEU 8 1HB LEU 8 -6.539 -42.152 31.498 579 2HB LEU 8 2HB LEU 8 -7.292 -41.583 30.042 580 HG LEU 8 HG LEU 8 -5.511 -43.204 29.585 581 1HD1 LEU 8 1HD1 LEU 8 -4.263 -41.952 27.906 582 2HD1 LEU 8 2HD1 LEU 8 -4.818 -40.422 28.628 583 3HD1 LEU 8 3HD1 LEU 8 -5.981 -41.529 27.874 584 1HD2 LEU 8 1HD2 LEU 8 -3.633 -41.183 30.788 585 2HD2 LEU 8 2HD2 LEU 8 -3.184 -42.685 30.001 586 3HD2 LEU 8 3HD2 LEU 8 -4.095 -42.719 31.510 587 H GLY 9 H GLY 9 -4.719 -38.458 29.752 588 1HA GLY 9 1HA GLY 9 -6.401 -37.871 27.565 589 2HA GLY 9 2HA GLY 9 -6.603 -36.630 28.801 590 H ALA 10 H ALA 10 -4.376 -35.875 29.718 591 HA ALA 10 HA ALA 10 -2.321 -34.963 29.484 592 1HB ALA 10 1HB ALA 10 -2.117 -36.502 26.912 593 2HB ALA 10 2HB ALA 10 -1.608 -37.075 28.504 594 3HB ALA 10 3HB ALA 10 -0.791 -35.702 27.747 595 H ASP 11 H ASP 11 -4.216 -34.931 26.490 596 HA ASP 11 HA ASP 11 -4.732 -33.319 24.989 597 1HB ASP 11 1HB ASP 11 -4.162 -31.523 27.381 598 2HB ASP 11 2HB ASP 11 -4.828 -30.944 25.876 599 HA PRO 12 HA PRO 12 -0.414 -32.152 23.837 600 1HB PRO 12 1HB PRO 12 -0.082 -33.752 21.747 601 2HB PRO 12 2HB PRO 12 0.007 -34.419 23.384 602 1HG PRO 12 1HG PRO 12 -2.215 -34.549 21.398 603 2HG PRO 12 2HG PRO 12 -1.663 -35.792 22.540 604 1HD PRO 12 1HD PRO 12 -3.849 -34.072 22.929 605 2HD PRO 12 2HD PRO 12 -3.049 -35.043 24.185 606 H THR 13 H THR 13 -3.449 -31.657 22.680 607 HA THR 13 HA THR 13 -2.853 -30.803 19.994 608 HB THR 13 HB THR 13 -5.362 -30.321 21.626 609 HG1 THR 13 HG1 THR 13 -4.334 -32.551 20.360 610 1HG2 THR 13 1HG2 THR 13 -4.942 -30.301 18.637 611 2HG2 THR 13 2HG2 THR 13 -5.174 -28.858 19.633 612 3HG2 THR 13 3HG2 THR 13 -6.474 -30.055 19.479 613 H GLN 14 H GLN 14 -2.311 -28.808 19.335 614 HA GLN 14 HA GLN 14 -3.045 -26.417 20.740 615 1HB GLN 14 1HB GLN 14 -0.792 -25.595 21.133 616 2HB GLN 14 2HB GLN 14 -1.054 -27.069 22.044 617 1HG GLN 14 1HG GLN 14 0.269 -28.339 20.513 618 2HG GLN 14 2HG GLN 14 0.355 -26.985 19.383 619 1HE2 GLN 14 2HE2 GLN 14 2.610 -26.942 19.409 620 2HE2 GLN 14 1HE2 GLN 14 3.503 -26.396 20.780 621 H ALA 15 H ALA 15 -2.210 -24.481 19.562 622 HA ALA 15 HA ALA 15 -2.018 -25.037 16.673 623 1HB ALA 15 1HB ALA 15 -3.907 -23.652 17.371 624 2HB ALA 15 2HB ALA 15 -2.799 -22.734 16.351 625 3HB ALA 15 3HB ALA 15 -2.821 -22.479 18.101 626 H ALA 16 H ALA 16 -0.988 -22.208 18.545 627 HA ALA 16 HA ALA 16 0.973 -21.156 18.859 628 1HB ALA 16 1HB ALA 16 3.096 -22.299 18.583 629 2HB ALA 16 2HB ALA 16 2.300 -23.620 17.736 630 3HB ALA 16 3HB ALA 16 1.944 -23.323 19.433 631 H SER 17 H SER 17 0.937 -22.891 15.728 632 HA SER 17 HA SER 17 2.607 -21.218 14.276 633 1HB SER 17 1HB SER 17 1.697 -23.382 13.475 634 2HB SER 17 2HB SER 17 0.117 -22.649 13.293 635 HG SER 17 HG SER 17 2.475 -21.776 11.950 636 H SER 18 H SER 18 2.485 -19.075 14.066 637 HA SER 18 HA SER 18 0.033 -17.806 13.214 638 1HB SER 18 1HB SER 18 0.326 -16.035 15.029 639 2HB SER 18 2HB SER 18 -0.295 -17.609 15.577 640 HG SER 18 HG SER 18 1.998 -18.087 16.052 641 HA PRO 19 HA PRO 19 3.325 -15.760 10.841 642 1HB PRO 19 1HB PRO 19 1.044 -14.229 9.737 643 2HB PRO 19 2HB PRO 19 2.246 -15.232 8.898 644 1HG PRO 19 1HG PRO 19 -0.305 -16.038 9.173 645 2HG PRO 19 2HG PRO 19 1.045 -17.184 9.255 646 1HD PRO 19 1HD PRO 19 -0.544 -15.962 11.481 647 2HD PRO 19 2HD PRO 19 -0.000 -17.653 11.285 648 H GLY 20 H GLY 20 4.404 -14.416 12.222 649 1HA GLY 20 1HA GLY 20 3.001 -11.969 13.133 650 2HA GLY 20 2HA GLY 20 4.213 -12.804 14.073 651 H GLY 21 H GLY 21 4.794 -12.650 10.703 652 1HA GLY 21 1HA GLY 21 7.198 -11.171 11.005 653 2HA GLY 21 2HA GLY 21 6.451 -11.662 9.489 654 H ALA 22 H ALA 22 6.522 -9.211 11.987 655 HA ALA 22 HA ALA 22 4.865 -7.429 10.361 656 1HB ALA 22 1HB ALA 22 4.056 -7.822 12.650 657 2HB ALA 22 2HB ALA 22 4.535 -6.138 12.410 658 3HB ALA 22 3HB ALA 22 5.596 -7.252 13.285 659 H ARG 23 H ARG 23 5.683 -5.536 9.631 660 HA ARG 23 HA ARG 23 8.383 -4.789 10.424 661 1HB ARG 23 1HB ARG 23 9.171 -4.595 8.089 662 2HB ARG 23 2HB ARG 23 8.827 -6.264 8.548 663 1HG ARG 23 1HG ARG 23 6.840 -4.582 7.033 664 2HG ARG 23 2HG ARG 23 8.129 -5.480 6.216 665 1HD ARG 23 1HD ARG 23 7.259 -7.554 7.364 666 2HD ARG 23 2HD ARG 23 5.888 -6.586 7.909 667 HE ARG 23 HE ARG 23 6.041 -6.261 5.174 668 1HH1 ARG 23 1HH1 ARG 23 5.492 -8.914 7.402 669 2HH1 ARG 23 2HH1 ARG 23 4.570 -9.832 6.243 670 1HH2 ARG 23 1HH2 ARG 23 4.820 -7.512 3.649 671 2HH2 ARG 23 2HH2 ARG 23 4.216 -9.063 4.175 672 H ALA 24 H ALA 24 9.026 -2.670 9.537 673 HA ALA 24 HA ALA 24 6.663 -0.920 9.262 674 1HB ALA 24 1HB ALA 24 7.882 -0.569 11.359 675 2HB ALA 24 2HB ALA 24 7.985 0.841 10.308 676 3HB ALA 24 3HB ALA 24 9.361 -0.257 10.465 677 H VAL 25 H VAL 25 6.434 -0.062 7.348 678 HA VAL 25 HA VAL 25 8.760 0.247 5.558 679 HB VAL 25 HB VAL 25 7.172 0.131 3.696 680 1HG1 VAL 25 1HG1 VAL 25 6.595 -2.228 3.876 681 2HG1 VAL 25 2HG1 VAL 25 6.814 -2.160 5.625 682 3HG1 VAL 25 3HG1 VAL 25 8.202 -1.939 4.555 683 1HG2 VAL 25 1HG2 VAL 25 4.814 -0.540 4.152 684 2HG2 VAL 25 2HG2 VAL 25 5.209 1.095 4.679 685 3HG2 VAL 25 3HG2 VAL 25 5.105 -0.211 5.875 686 H SER 26 H SER 26 9.035 2.243 4.458 687 HA SER 26 HA SER 26 7.657 4.453 5.827 688 1HB SER 26 1HB SER 26 9.637 5.812 5.026 689 2HB SER 26 2HB SER 26 10.070 4.477 6.098 690 HG SER 26 HG SER 26 10.074 4.155 3.279 691 H ILE 27 H ILE 27 7.155 6.336 4.711 692 HA ILE 27 HA ILE 27 6.675 6.072 1.801 693 HB ILE 27 HB ILE 27 4.843 7.286 3.901 694 1HG1 ILE 27 1HG1 ILE 27 3.115 5.989 2.534 695 2HG1 ILE 27 2HG1 ILE 27 4.456 5.225 1.704 696 1HG2 ILE 27 1HG2 ILE 27 4.812 7.834 0.931 697 2HG2 ILE 27 2HG2 ILE 27 5.069 8.995 2.229 698 3HG2 ILE 27 3HG2 ILE 27 3.489 8.228 2.038 699 1HD1 ILE 27 1HD1 ILE 27 5.257 4.346 3.859 700 2HD1 ILE 27 2HD1 ILE 27 3.639 3.803 3.437 701 3HD1 ILE 27 3HD1 ILE 27 3.852 5.060 4.651 702 H VAL 28 H VAL 28 7.709 7.594 0.665 703 HA VAL 28 HA VAL 28 8.964 9.809 2.159 704 HB VAL 28 HB VAL 28 10.509 9.998 0.233 705 1HG1 VAL 28 1HG1 VAL 28 10.388 7.279 1.581 706 2HG1 VAL 28 2HG1 VAL 28 11.155 8.731 2.228 707 3HG1 VAL 28 3HG1 VAL 28 11.824 7.968 0.790 708 1HG2 VAL 28 1HG2 VAL 28 9.183 8.999 -1.545 709 2HG2 VAL 28 2HG2 VAL 28 9.157 7.452 -0.706 710 3HG2 VAL 28 3HG2 VAL 28 10.668 8.073 -1.349 711 H GLY 29 H GLY 29 7.564 11.439 2.163 712 1HA GLY 29 1HA GLY 29 6.422 13.268 1.308 713 2HA GLY 29 2HA GLY 29 6.839 12.752 -0.330 714 H ASN 30 H ASN 30 5.695 10.854 -1.143 715 HA ASN 30 HA ASN 30 3.432 9.806 0.267 716 1HB ASN 30 1HB ASN 30 1.699 10.370 -1.290 717 2HB ASN 30 2HB ASN 30 2.460 11.868 -0.761 718 1HD2 ASN 30 2HD2 ASN 30 0.891 11.239 -3.152 719 2HD2 ASN 30 1HD2 ASN 30 1.893 11.714 -4.491 720 H GLN 31 H GLN 31 6.006 9.083 -1.102 721 HA GLN 31 HA GLN 31 5.029 7.250 -3.205 722 1HB GLN 31 1HB GLN 31 6.871 9.147 -3.560 723 2HB GLN 31 2HB GLN 31 7.940 7.975 -2.780 724 1HG GLN 31 1HG GLN 31 6.295 7.179 -5.165 725 2HG GLN 31 2HG GLN 31 7.743 8.138 -5.388 726 1HE2 GLN 31 2HE2 GLN 31 9.782 7.220 -4.815 727 2HE2 GLN 31 1HE2 GLN 31 9.968 5.501 -4.668 728 H ILE 32 H ILE 32 5.961 5.122 -3.241 729 HA ILE 32 HA ILE 32 7.415 4.080 -1.021 730 HB ILE 32 HB ILE 32 5.182 4.255 0.055 731 1HG1 ILE 32 1HG1 ILE 32 5.977 1.382 -0.500 732 2HG1 ILE 32 2HG1 ILE 32 6.751 2.431 0.677 733 1HG2 ILE 32 1HG2 ILE 32 3.316 2.852 -0.707 734 2HG2 ILE 32 2HG2 ILE 32 4.276 2.335 -2.087 735 3HG2 ILE 32 3HG2 ILE 32 3.773 4.021 -1.949 736 1HD1 ILE 32 1HD1 ILE 32 5.204 0.908 1.727 737 2HD1 ILE 32 2HD1 ILE 32 3.877 1.540 0.757 738 3HD1 ILE 32 3HD1 ILE 32 4.680 2.580 1.941 739 H ASP 33 H ASP 33 8.118 1.905 -1.426 740 HA ASP 33 HA ASP 33 7.754 1.167 -4.257 741 1HB ASP 33 1HB ASP 33 10.089 1.705 -3.313 742 2HB ASP 33 2HB ASP 33 9.947 0.172 -2.453 743 H SER 34 H SER 34 7.362 -0.972 -4.855 744 HA SER 34 HA SER 34 5.602 -2.420 -3.238 745 1HB SER 34 1HB SER 34 7.162 -3.359 -5.655 746 2HB SER 34 2HB SER 34 5.734 -4.158 -4.980 747 HG SER 34 HG SER 34 5.743 -1.450 -5.888 748 H ARG 35 H ARG 35 9.061 -2.469 -3.460 749 HA ARG 35 HA ARG 35 9.554 -5.104 -2.530 750 1HB ARG 35 1HB ARG 35 11.217 -2.578 -2.325 751 2HB ARG 35 2HB ARG 35 11.814 -4.170 -1.887 752 1HG ARG 35 1HG ARG 35 10.878 -3.330 -4.620 753 2HG ARG 35 2HG ARG 35 12.549 -3.525 -4.115 754 1HD ARG 35 1HD ARG 35 12.192 -5.885 -3.721 755 2HD ARG 35 2HD ARG 35 10.484 -5.718 -4.146 756 HE ARG 35 HE ARG 35 11.987 -4.769 -6.294 757 1HH1 ARG 35 1HH1 ARG 35 11.449 -7.791 -4.604 758 2HH1 ARG 35 2HH1 ARG 35 11.807 -8.761 -6.016 759 1HH2 ARG 35 1HH2 ARG 35 12.449 -6.033 -8.109 760 2HH2 ARG 35 2HH2 ARG 35 12.343 -7.762 -8.003 761 H GLU 36 H GLU 36 9.133 -2.015 -0.894 762 HA GLU 36 HA GLU 36 9.735 -2.732 1.704 763 1HB GLU 36 1HB GLU 36 7.584 -0.801 0.812 764 2HB GLU 36 2HB GLU 36 8.365 -0.813 2.376 765 1HG GLU 36 1HG GLU 36 9.929 -0.436 -0.149 766 2HG GLU 36 2HG GLU 36 9.139 0.915 0.643 767 H LEU 37 H LEU 37 6.596 -2.862 0.085 768 HA LEU 37 HA LEU 37 5.221 -3.879 2.389 769 1HB LEU 37 1HB LEU 37 4.366 -3.669 -0.513 770 2HB LEU 37 2HB LEU 37 3.310 -4.107 0.820 771 HG LEU 37 HG LEU 37 4.726 -1.456 0.555 772 1HD1 LEU 37 1HD1 LEU 37 2.986 -1.759 -1.161 773 2HD1 LEU 37 2HD1 LEU 37 2.571 -0.506 0.017 774 3HD1 LEU 37 3HD1 LEU 37 1.823 -2.111 0.093 775 1HD2 LEU 37 1HD2 LEU 37 2.591 -2.362 2.494 776 2HD2 LEU 37 2HD2 LEU 37 3.290 -0.743 2.398 777 3HD2 LEU 37 3HD2 LEU 37 4.291 -2.112 2.880 778 H PHE 38 H PHE 38 6.079 -5.252 -0.794 779 HA PHE 38 HA PHE 38 5.201 -7.889 0.060 780 1HB PHE 38 1HB PHE 38 6.295 -6.957 -2.606 781 2HB PHE 38 2HB PHE 38 5.561 -8.528 -2.300 782 HD1 PHE 38 HD1 PHE 38 3.125 -8.666 -1.737 783 HD2 PHE 38 HD2 PHE 38 4.950 -5.031 -3.027 784 HE1 PHE 38 HE1 PHE 38 0.919 -7.741 -2.268 785 HE2 PHE 38 HE2 PHE 38 2.723 -4.120 -3.570 786 HZ PHE 38 HZ PHE 38 0.711 -5.472 -3.208 787 H THR 39 H THR 39 7.636 -6.648 1.209 788 HA THR 39 HA THR 39 9.995 -7.729 0.218 789 HB THR 39 HB THR 39 9.907 -6.029 2.000 790 HG1 THR 39 HG1 THR 39 11.815 -7.249 1.751 791 1HG2 THR 39 1HG2 THR 39 9.513 -6.670 4.336 792 2HG2 THR 39 2HG2 THR 39 9.092 -8.298 3.823 793 3HG2 THR 39 3HG2 THR 39 8.068 -6.941 3.337 794 H VAL 40 H VAL 40 7.437 -9.262 2.006 795 HA VAL 40 HA VAL 40 8.849 -11.842 1.807 796 HB VAL 40 HB VAL 40 7.372 -10.878 4.278 797 1HG1 VAL 40 1HG1 VAL 40 6.906 -13.229 3.854 798 2HG1 VAL 40 2HG1 VAL 40 7.945 -13.047 5.268 799 3HG1 VAL 40 3HG1 VAL 40 8.618 -13.577 3.722 800 1HG2 VAL 40 1HG2 VAL 40 9.657 -9.979 4.106 801 2HG2 VAL 40 2HG2 VAL 40 10.283 -11.616 3.917 802 3HG2 VAL 40 3HG2 VAL 40 9.513 -11.153 5.422 803 H ASP 41 H ASP 41 5.768 -10.166 2.365 804 HA ASP 41 HA ASP 41 4.270 -12.560 1.623 805 1HB ASP 41 1HB ASP 41 3.408 -9.853 2.652 806 2HB ASP 41 2HB ASP 41 2.267 -11.116 2.173 807 H ARG 42 H ARG 42 4.146 -12.904 -0.472 808 HA ARG 42 HA ARG 42 4.046 -11.056 -2.574 809 1HB ARG 42 1HB ARG 42 4.399 -13.505 -2.857 810 2HB ARG 42 2HB ARG 42 2.702 -13.781 -2.452 811 1HG ARG 42 1HG ARG 42 2.059 -12.428 -4.465 812 2HG ARG 42 2HG ARG 42 3.779 -12.345 -4.889 813 1HD ARG 42 1HD ARG 42 2.193 -14.887 -4.550 814 2HD ARG 42 2HD ARG 42 2.548 -14.124 -6.100 815 HE ARG 42 HE ARG 42 4.981 -14.480 -4.900 816 1HH1 ARG 42 1HH1 ARG 42 2.349 -16.577 -5.794 817 2HH1 ARG 42 2HH1 ARG 42 3.380 -17.919 -6.190 818 1HH2 ARG 42 1HH2 ARG 42 6.363 -16.248 -5.454 819 2HH2 ARG 42 2HH2 ARG 42 5.638 -17.738 -5.962 820 H GLU 43 H GLU 43 1.782 -11.414 -0.159 821 HA GLU 43 HA GLU 43 -0.186 -9.894 -1.669 822 1HB GLU 43 1HB GLU 43 -0.972 -12.240 -1.828 823 2HB GLU 43 2HB GLU 43 -0.952 -12.354 -0.081 824 1HG GLU 43 1HG GLU 43 -2.689 -10.651 0.072 825 2HG GLU 43 2HG GLU 43 -2.704 -10.484 -1.681 826 H ILE 44 H ILE 44 -1.137 -8.325 -0.479 827 HA ILE 44 HA ILE 44 -0.568 -8.232 2.417 828 HB ILE 44 HB ILE 44 -0.458 -5.899 0.461 829 1HG1 ILE 44 1HG1 ILE 44 1.535 -7.361 0.365 830 2HG1 ILE 44 2HG1 ILE 44 1.931 -5.775 1.021 831 1HG2 ILE 44 1HG2 ILE 44 0.199 -4.527 2.388 832 2HG2 ILE 44 2HG2 ILE 44 -0.020 -5.921 3.440 833 3HG2 ILE 44 3HG2 ILE 44 -1.405 -5.219 2.613 834 1HD1 ILE 44 1HD1 ILE 44 1.886 -6.705 3.267 835 2HD1 ILE 44 2HD1 ILE 44 3.065 -7.527 2.246 836 3HD1 ILE 44 3HD1 ILE 44 1.518 -8.298 2.615 837 H VAL 45 H VAL 45 -2.244 -7.406 3.694 838 HA VAL 45 HA VAL 45 -4.829 -7.075 2.348 839 HB VAL 45 HB VAL 45 -4.294 -7.643 5.287 840 1HG1 VAL 45 1HG1 VAL 45 -6.695 -8.201 5.370 841 2HG1 VAL 45 2HG1 VAL 45 -6.851 -7.765 3.667 842 3HG1 VAL 45 3HG1 VAL 45 -6.452 -6.531 4.863 843 1HG2 VAL 45 1HG2 VAL 45 -3.557 -9.500 3.841 844 2HG2 VAL 45 2HG2 VAL 45 -5.160 -9.538 3.102 845 3HG2 VAL 45 3HG2 VAL 45 -4.967 -9.934 4.811 846 H ILE 46 H ILE 46 -6.132 -5.295 2.785 847 HA ILE 46 HA ILE 46 -4.872 -3.059 4.193 848 HB ILE 46 HB ILE 46 -6.097 -2.861 1.424 849 1HG1 ILE 46 1HG1 ILE 46 -3.213 -2.508 2.325 850 2HG1 ILE 46 2HG1 ILE 46 -3.837 -3.802 1.308 851 1HG2 ILE 46 1HG2 ILE 46 -4.974 -0.705 3.214 852 2HG2 ILE 46 2HG2 ILE 46 -6.655 -0.915 2.720 853 3HG2 ILE 46 3HG2 ILE 46 -5.434 -0.489 1.525 854 1HD1 ILE 46 1HD1 ILE 46 -3.735 -0.874 0.602 855 2HD1 ILE 46 2HD1 ILE 46 -4.357 -2.147 -0.436 856 3HD1 ILE 46 3HD1 ILE 46 -2.649 -2.122 0.006 857 H ALA 47 H ALA 47 -6.291 -2.596 5.766 858 HA ALA 47 HA ALA 47 -9.123 -3.067 5.404 859 1HB ALA 47 1HB ALA 47 -9.295 -2.376 7.757 860 2HB ALA 47 2HB ALA 47 -7.587 -1.938 7.754 861 3HB ALA 47 3HB ALA 47 -8.067 -3.611 7.530 862 H HIS 48 H HIS 48 -10.620 -1.563 4.973 863 HA HIS 48 HA HIS 48 -10.103 1.255 5.582 864 1HB HIS 48 1HB HIS 48 -9.470 1.297 3.295 865 2HB HIS 48 2HB HIS 48 -10.762 0.187 2.825 866 HD1 HIS 48 HD1 HIS 48 -10.287 3.775 3.942 867 HD2 HIS 48 HD2 HIS 48 -13.113 1.384 2.071 868 HE1 HIS 48 HE1 HIS 48 -12.092 5.345 3.170 869 HE2 HIS 48 HE2 HIS 48 -13.904 3.846 2.241 870 H GLY 49 H GLY 49 -11.681 1.243 7.208 871 1HA GLY 49 1HA GLY 49 -13.876 1.798 7.789 872 2HA GLY 49 2HA GLY 49 -14.410 1.327 6.180 873 H ASP 50 H ASP 50 -12.328 -0.615 8.116 874 HA ASP 50 HA ASP 50 -12.489 -2.611 9.138 875 1HB ASP 50 1HB ASP 50 -14.312 -1.614 10.461 876 2HB ASP 50 2HB ASP 50 -15.467 -2.074 9.221 877 H ASP 51 H ASP 51 -13.442 -2.014 6.092 878 HA ASP 51 HA ASP 51 -14.235 -4.755 5.471 879 1HB ASP 51 1HB ASP 51 -15.115 -2.612 4.260 880 2HB ASP 51 2HB ASP 51 -13.538 -2.616 3.449 881 H ARG 52 H ARG 52 -12.868 -5.864 3.676 882 HA ARG 52 HA ARG 52 -10.054 -5.459 4.402 883 1HB ARG 52 1HB ARG 52 -11.495 -8.104 4.048 884 2HB ARG 52 2HB ARG 52 -9.771 -7.915 4.301 885 1HG ARG 52 1HG ARG 52 -11.904 -7.087 6.253 886 2HG ARG 52 2HG ARG 52 -10.937 -8.562 6.348 887 1HD ARG 52 1HD ARG 52 -8.921 -7.252 6.598 888 2HD ARG 52 2HD ARG 52 -9.836 -5.753 6.392 889 HE ARG 52 HE ARG 52 -10.959 -7.108 8.526 890 1HH1 ARG 52 1HH1 ARG 52 -7.901 -5.601 7.745 891 2HH1 ARG 52 2HH1 ARG 52 -7.547 -5.202 9.390 892 1HH2 ARG 52 1HH2 ARG 52 -10.473 -6.564 10.690 893 2HH2 ARG 52 2HH2 ARG 52 -8.995 -5.741 11.066 894 H TYR 53 H TYR 53 -8.954 -4.839 2.734 895 HA TYR 53 HA TYR 53 -9.606 -5.829 0.029 896 1HB TYR 53 1HB TYR 53 -8.059 -3.384 0.946 897 2HB TYR 53 2HB TYR 53 -8.136 -3.911 -0.727 898 HD1 TYR 53 HD1 TYR 53 -10.525 -3.239 2.080 899 HD2 TYR 53 HD2 TYR 53 -9.643 -2.775 -2.069 900 HE1 TYR 53 HE1 TYR 53 -12.604 -1.953 1.774 901 HE2 TYR 53 HE2 TYR 53 -11.710 -1.492 -2.364 902 HH TYR 53 HH TYR 53 -13.648 -0.434 0.325 903 H ARG 54 H ARG 54 -7.719 -6.294 -1.333 904 HA ARG 54 HA ARG 54 -5.382 -7.217 0.166 905 1HB ARG 54 1HB ARG 54 -6.934 -8.803 -1.880 906 2HB ARG 54 2HB ARG 54 -5.355 -9.275 -1.292 907 1HG ARG 54 1HG ARG 54 -6.317 -9.397 1.014 908 2HG ARG 54 2HG ARG 54 -7.912 -9.097 0.292 909 1HD ARG 54 1HD ARG 54 -7.608 -11.123 -1.110 910 2HD ARG 54 2HD ARG 54 -6.079 -11.434 -0.281 911 HE ARG 54 HE ARG 54 -8.565 -11.277 1.277 912 1HH1 ARG 54 1HH1 ARG 54 -5.773 -13.111 0.218 913 2HH1 ARG 54 2HH1 ARG 54 -6.182 -14.502 1.170 914 1HH2 ARG 54 1HH2 ARG 54 -9.093 -13.129 2.534 915 2HH2 ARG 54 2HH2 ARG 54 -8.065 -14.522 2.468 916 H LEU 55 H LEU 55 -3.805 -5.977 -0.583 917 HA LEU 55 HA LEU 55 -3.579 -5.359 -3.413 918 1HB LEU 55 1HB LEU 55 -3.038 -3.663 -1.618 919 2HB LEU 55 2HB LEU 55 -1.712 -4.680 -1.106 920 HG LEU 55 HG LEU 55 -0.741 -4.394 -3.433 921 1HD1 LEU 55 1HD1 LEU 55 -2.786 -3.733 -4.583 922 2HD1 LEU 55 2HD1 LEU 55 -1.515 -2.511 -4.761 923 3HD1 LEU 55 3HD1 LEU 55 -2.837 -2.245 -3.626 924 1HD2 LEU 55 1HD2 LEU 55 0.153 -2.168 -2.971 925 2HD2 LEU 55 2HD2 LEU 55 0.134 -3.169 -1.518 926 3HD2 LEU 55 3HD2 LEU 55 -1.093 -1.914 -1.752 927 H ARG 56 H ARG 56 -2.604 -6.815 -4.704 928 HA ARG 56 HA ARG 56 -0.799 -8.775 -3.432 929 1HB ARG 56 1HB ARG 56 -3.073 -9.696 -3.951 930 2HB ARG 56 2HB ARG 56 -2.794 -9.339 -5.652 931 1HG ARG 56 1HG ARG 56 -0.906 -10.903 -5.657 932 2HG ARG 56 2HG ARG 56 -1.199 -11.257 -3.953 933 1HD ARG 56 1HD ARG 56 -3.442 -12.074 -4.530 934 2HD ARG 56 2HD ARG 56 -3.108 -11.772 -6.240 935 HE ARG 56 HE ARG 56 -1.156 -13.473 -5.048 936 1HH1 ARG 56 1HH1 ARG 56 -4.354 -13.419 -6.443 937 2HH1 ARG 56 2HH1 ARG 56 -4.384 -15.126 -6.751 938 1HH2 ARG 56 1HH2 ARG 56 -1.183 -15.744 -5.480 939 2HH2 ARG 56 2HH2 ARG 56 -2.599 -16.435 -6.228 940 H LEU 57 H LEU 57 0.985 -9.389 -4.567 941 HA LEU 57 HA LEU 57 1.604 -7.791 -6.958 942 1HB LEU 57 1HB LEU 57 3.075 -7.450 -4.985 943 2HB LEU 57 2HB LEU 57 3.487 -9.148 -5.012 944 HG LEU 57 HG LEU 57 4.531 -8.835 -7.261 945 1HD1 LEU 57 1HD1 LEU 57 3.246 -6.895 -7.981 946 2HD1 LEU 57 2HD1 LEU 57 4.974 -6.571 -8.055 947 3HD1 LEU 57 3HD1 LEU 57 3.998 -5.916 -6.734 948 1HD2 LEU 57 1HD2 LEU 57 5.607 -7.065 -5.056 949 2HD2 LEU 57 2HD2 LEU 57 6.521 -7.641 -6.456 950 3HD2 LEU 57 3HD2 LEU 57 5.918 -8.780 -5.263 951 H THR 58 H THR 58 2.310 -8.779 -8.779 952 HA THR 58 HA THR 58 1.844 -11.644 -9.020 953 HB THR 58 HB THR 58 2.320 -11.293 -11.428 954 HG1 THR 58 HG1 THR 58 3.215 -8.832 -10.462 955 1HG2 THR 58 1HG2 THR 58 0.421 -9.785 -11.952 956 2HG2 THR 58 2HG2 THR 58 0.435 -9.222 -10.276 957 3HG2 THR 58 3HG2 THR 58 0.029 -10.902 -10.643 958 H SER 59 H SER 59 3.627 -12.692 -10.609 959 HA SER 59 HA SER 59 5.946 -13.080 -9.114 960 1HB SER 59 1HB SER 59 5.586 -13.523 -12.087 961 2HB SER 59 2HB SER 59 6.771 -14.302 -11.042 962 HG SER 59 HG SER 59 5.276 -15.749 -10.809 963 H GLN 60 H GLN 60 5.770 -11.370 -12.260 964 HA GLN 60 HA GLN 60 7.963 -9.612 -11.334 965 1HB GLN 60 1HB GLN 60 7.758 -11.109 -13.948 966 2HB GLN 60 2HB GLN 60 8.752 -9.682 -13.785 967 1HG GLN 60 1HG GLN 60 10.305 -11.345 -13.458 968 2HG GLN 60 2HG GLN 60 9.832 -10.975 -11.805 969 1HE2 GLN 60 2HE2 GLN 60 9.537 -13.243 -14.429 970 2HE2 GLN 60 1HE2 GLN 60 9.006 -14.584 -13.498 971 H ASN 61 H ASN 61 4.928 -9.879 -13.004 972 HA ASN 61 HA ASN 61 5.428 -7.741 -14.856 973 1HB ASN 61 1HB ASN 61 3.893 -9.610 -15.397 974 2HB ASN 61 2HB ASN 61 2.763 -9.004 -14.186 975 1HD2 ASN 61 2HD2 ASN 61 2.481 -9.371 -17.072 976 2HD2 ASN 61 1HD2 ASN 61 2.025 -7.840 -17.721 977 H LYS 62 H LYS 62 2.846 -7.875 -12.332 978 HA LYS 62 HA LYS 62 3.325 -5.068 -11.725 979 1HB LYS 62 1HB LYS 62 1.080 -4.336 -12.350 980 2HB LYS 62 2HB LYS 62 1.908 -5.013 -13.748 981 1HG LYS 62 1HG LYS 62 0.647 -7.078 -13.589 982 2HG LYS 62 2HG LYS 62 -0.111 -6.542 -12.095 983 1HD LYS 62 1HD LYS 62 -1.116 -4.640 -13.342 984 2HD LYS 62 2HD LYS 62 -0.430 -5.320 -14.821 985 1HE LYS 62 1HE LYS 62 -1.737 -7.352 -14.540 986 2HE LYS 62 2HE LYS 62 -2.367 -6.756 -13.007 987 1HZ LYS 62 1HZ LYS 62 -2.836 -5.573 -15.679 988 2HZ LYS 62 2HZ LYS 62 -3.380 -4.920 -14.228 989 3HZ LYS 62 3HZ LYS 62 -3.964 -6.418 -14.743 990 H LEU 63 H LEU 63 1.010 -4.430 -10.458 991 HA LEU 63 HA LEU 63 0.377 -6.599 -8.569 992 1HB LEU 63 1HB LEU 63 0.413 -5.041 -6.676 993 2HB LEU 63 2HB LEU 63 1.990 -5.193 -7.429 994 HG LEU 63 HG LEU 63 0.174 -2.876 -8.042 995 1HD1 LEU 63 1HD1 LEU 63 2.217 -3.078 -5.824 996 2HD1 LEU 63 2HD1 LEU 63 0.476 -2.927 -5.636 997 3HD1 LEU 63 3HD1 LEU 63 1.402 -1.600 -6.321 998 1HD2 LEU 63 1HD2 LEU 63 2.051 -3.218 -9.573 999 2HD2 LEU 63 2HD2 LEU 63 3.175 -3.259 -8.214 1000 3HD2 LEU 63 3HD2 LEU 63 2.301 -1.773 -8.603 1001 H ILE 64 H ILE 64 -1.675 -6.088 -7.335 1002 HA ILE 64 HA ILE 64 -3.525 -4.333 -8.765 1003 HB ILE 64 HB ILE 64 -5.205 -6.213 -8.964 1004 1HG1 ILE 64 1HG1 ILE 64 -4.002 -8.523 -9.342 1005 2HG1 ILE 64 2HG1 ILE 64 -2.742 -7.839 -8.330 1006 1HG2 ILE 64 1HG2 ILE 64 -2.728 -6.342 -10.700 1007 2HG2 ILE 64 2HG2 ILE 64 -4.111 -5.276 -10.921 1008 3HG2 ILE 64 3HG2 ILE 64 -4.297 -7.010 -11.113 1009 1HD1 ILE 64 1HD1 ILE 64 -4.268 -9.266 -7.083 1010 2HD1 ILE 64 2HD1 ILE 64 -5.603 -8.196 -7.502 1011 3HD1 ILE 64 3HD1 ILE 64 -4.287 -7.594 -6.490 1012 H LEU 65 H LEU 65 -5.736 -4.409 -7.687 1013 HA LEU 65 HA LEU 65 -5.497 -4.993 -4.830 1014 1HB LEU 65 1HB LEU 65 -5.298 -2.574 -5.156 1015 2HB LEU 65 2HB LEU 65 -6.751 -2.564 -6.122 1016 HG LEU 65 HG LEU 65 -8.028 -3.230 -4.097 1017 1HD1 LEU 65 1HD1 LEU 65 -5.397 -2.819 -2.673 1018 2HD1 LEU 65 2HD1 LEU 65 -6.266 -4.338 -2.837 1019 3HD1 LEU 65 3HD1 LEU 65 -6.962 -3.030 -1.892 1020 1HD2 LEU 65 1HD2 LEU 65 -7.949 -0.904 -4.730 1021 2HD2 LEU 65 2HD2 LEU 65 -6.407 -0.699 -3.905 1022 3HD2 LEU 65 3HD2 LEU 65 -7.865 -1.020 -2.968 1023 H THR 66 H THR 66 -6.881 -6.564 -4.359 1024 HA THR 66 HA THR 66 -9.605 -6.484 -5.516 1025 HB THR 66 HB THR 66 -8.273 -8.031 -6.903 1026 HG1 THR 66 HG1 THR 66 -9.890 -9.743 -5.338 1027 1HG2 THR 66 1HG2 THR 66 -6.595 -8.658 -5.191 1028 2HG2 THR 66 2HG2 THR 66 -7.299 -10.062 -5.988 1029 3HG2 THR 66 3HG2 THR 66 -7.824 -9.618 -4.372 1030 H LYS 67 H LYS 67 -11.067 -8.027 -4.310 1031 HA LYS 67 HA LYS 67 -10.206 -8.376 -1.524 1032 1HB LYS 67 1HB LYS 67 -13.029 -7.914 -2.500 1033 2HB LYS 67 2HB LYS 67 -12.551 -8.178 -0.837 1034 1HG LYS 67 1HG LYS 67 -12.829 -5.877 -0.956 1035 2HG LYS 67 2HG LYS 67 -11.095 -6.082 -1.121 1036 1HD LYS 67 1HD LYS 67 -11.910 -4.418 -2.699 1037 2HD LYS 67 2HD LYS 67 -11.307 -5.821 -3.567 1038 1HE LYS 67 1HE LYS 67 -13.608 -6.631 -3.842 1039 2HE LYS 67 2HE LYS 67 -14.213 -5.239 -2.958 1040 1HZ LYS 67 1HZ LYS 67 -14.352 -5.042 -5.410 1041 2HZ LYS 67 2HZ LYS 67 -12.654 -5.039 -5.465 1042 3HZ LYS 67 3HZ LYS 67 -13.479 -3.796 -4.659 Start of MODEL 19 1 1H MET 1 1H MET 1 -24.903 64.615 -5.995 2 2H MET 1 2H MET 1 -24.554 63.193 -5.154 3 3H MET 1 3H MET 1 -23.325 64.002 -5.990 4 HA MET 1 HA MET 1 -23.466 65.882 -4.548 5 1HB MET 1 1HB MET 1 -25.599 64.281 -3.112 6 2HB MET 1 2HB MET 1 -24.919 65.812 -2.568 7 1HG MET 1 1HG MET 1 -25.834 66.958 -4.480 8 2HG MET 1 2HG MET 1 -26.416 65.438 -5.152 9 1HE MET 1 1HE MET 1 -28.809 66.332 -5.488 10 2HE MET 1 2HE MET 1 -28.400 67.931 -4.843 11 3HE MET 1 3HE MET 1 -29.810 67.065 -4.219 12 H MET 2 H MET 2 -23.807 62.479 -3.545 13 HA MET 2 HA MET 2 -21.797 62.603 -1.533 14 1HB MET 2 1HB MET 2 -22.847 60.250 -3.129 15 2HB MET 2 2HB MET 2 -21.763 60.125 -1.741 16 1HG MET 2 1HG MET 2 -23.474 61.088 -0.299 17 2HG MET 2 2HG MET 2 -24.536 61.297 -1.672 18 1HE MET 2 1HE MET 2 -22.669 58.724 0.570 19 2HE MET 2 2HE MET 2 -22.198 58.157 -1.041 20 3HE MET 2 3HE MET 2 -23.273 57.174 -0.035 21 H THR 3 H THR 3 -19.934 63.525 -2.222 22 HA THR 3 HA THR 3 -18.912 63.085 -4.894 23 HB THR 3 HB THR 3 -17.058 64.631 -4.053 24 HG1 THR 3 HG1 THR 3 -17.526 65.680 -2.036 25 1HG2 THR 3 1HG2 THR 3 -19.903 65.597 -3.770 26 2HG2 THR 3 2HG2 THR 3 -19.010 65.462 -5.291 27 3HG2 THR 3 3HG2 THR 3 -18.506 66.612 -4.049 28 H ALA 4 H ALA 4 -18.537 61.354 -2.020 29 HA ALA 4 HA ALA 4 -16.078 60.111 -3.016 30 1HB ALA 4 1HB ALA 4 -16.612 60.800 -0.125 31 2HB ALA 4 2HB ALA 4 -15.431 61.573 -1.175 32 3HB ALA 4 3HB ALA 4 -15.228 59.881 -0.728 33 H SER 5 H SER 5 -15.979 57.921 -2.838 34 HA SER 5 HA SER 5 -18.156 56.535 -1.431 35 1HB SER 5 1HB SER 5 -18.595 56.537 -3.886 36 2HB SER 5 2HB SER 5 -17.059 55.719 -4.146 37 HG SER 5 HG SER 5 -18.932 54.621 -2.355 38 H ASP 6 H ASP 6 -17.408 55.177 0.022 39 HA ASP 6 HA ASP 6 -14.598 54.475 0.047 40 1HB ASP 6 1HB ASP 6 -15.653 55.132 2.156 41 2HB ASP 6 2HB ASP 6 -16.791 53.791 2.019 42 H ARG 7 H ARG 7 -13.951 52.177 0.451 43 HA ARG 7 HA ARG 7 -15.675 50.294 -1.042 44 1HB ARG 7 1HB ARG 7 -13.688 49.414 -2.202 45 2HB ARG 7 2HB ARG 7 -13.930 51.102 -2.566 46 1HG ARG 7 1HG ARG 7 -11.994 50.154 -0.481 47 2HG ARG 7 2HG ARG 7 -11.552 50.371 -2.178 48 1HD ARG 7 1HD ARG 7 -12.343 52.772 -1.980 49 2HD ARG 7 2HD ARG 7 -12.505 52.472 -0.246 50 HE ARG 7 HE ARG 7 -9.915 51.725 -1.036 51 1HH1 ARG 7 1HH1 ARG 7 -11.879 54.582 -0.572 52 2HH1 ARG 7 2HH1 ARG 7 -10.506 55.609 -0.281 53 1HH2 ARG 7 1HH2 ARG 7 -8.118 53.084 -0.669 54 2HH2 ARG 7 2HH2 ARG 7 -8.377 54.774 -0.346 55 H LEU 8 H LEU 8 -15.365 48.077 -0.523 56 HA LEU 8 HA LEU 8 -14.671 47.686 2.282 57 1HB LEU 8 1HB LEU 8 -15.697 45.389 1.868 58 2HB LEU 8 2HB LEU 8 -16.778 46.775 1.744 59 HG LEU 8 HG LEU 8 -16.446 46.621 -0.773 60 1HD1 LEU 8 1HD1 LEU 8 -15.353 43.916 -0.049 61 2HD1 LEU 8 2HD1 LEU 8 -14.460 45.221 -0.813 62 3HD1 LEU 8 3HD1 LEU 8 -15.798 44.439 -1.681 63 1HD2 LEU 8 1HD2 LEU 8 -18.113 44.824 -1.013 64 2HD2 LEU 8 2HD2 LEU 8 -18.501 45.943 0.289 65 3HD2 LEU 8 3HD2 LEU 8 -17.816 44.364 0.655 66 H GLY 9 H GLY 9 -13.538 45.664 2.899 67 1HA GLY 9 1HA GLY 9 -11.311 45.142 1.038 68 2HA GLY 9 2HA GLY 9 -11.092 45.265 2.780 69 H ALA 10 H ALA 10 -10.295 43.056 1.246 70 HA ALA 10 HA ALA 10 -12.051 40.912 2.298 71 1HB ALA 10 1HB ALA 10 -12.470 41.166 -0.108 72 2HB ALA 10 2HB ALA 10 -11.683 39.627 0.267 73 3HB ALA 10 3HB ALA 10 -10.742 40.955 -0.418 74 H ASP 11 H ASP 11 -10.755 38.736 1.982 75 HA ASP 11 HA ASP 11 -7.902 39.124 2.529 76 1HB ASP 11 1HB ASP 11 -7.920 37.750 4.499 77 2HB ASP 11 2HB ASP 11 -9.060 39.078 4.743 78 HA PRO 12 HA PRO 12 -7.868 35.625 -0.298 79 1HB PRO 12 1HB PRO 12 -4.997 35.521 0.353 80 2HB PRO 12 2HB PRO 12 -5.796 35.797 -1.193 81 1HG PRO 12 1HG PRO 12 -4.507 37.788 0.090 82 2HG PRO 12 2HG PRO 12 -5.975 38.089 -0.856 83 1HD PRO 12 1HD PRO 12 -5.673 37.812 2.120 84 2HD PRO 12 2HD PRO 12 -6.637 38.979 1.180 85 H THR 13 H THR 13 -8.506 33.667 0.326 86 HA THR 13 HA THR 13 -7.557 32.518 2.834 87 HB THR 13 HB THR 13 -9.987 32.368 2.301 88 HG1 THR 13 HG1 THR 13 -9.512 30.713 3.593 89 1HG2 THR 13 1HG2 THR 13 -9.126 30.568 0.039 90 2HG2 THR 13 2HG2 THR 13 -9.811 32.184 -0.149 91 3HG2 THR 13 3HG2 THR 13 -10.787 30.885 0.544 92 H GLN 14 H GLN 14 -6.607 30.413 2.933 93 HA GLN 14 HA GLN 14 -5.794 29.089 0.491 94 1HB GLN 14 1HB GLN 14 -3.399 29.035 1.054 95 2HB GLN 14 2HB GLN 14 -3.956 30.673 0.721 96 1HG GLN 14 1HG GLN 14 -4.063 31.089 3.133 97 2HG GLN 14 2HG GLN 14 -3.472 29.467 3.453 98 1HE2 GLN 14 2HE2 GLN 14 -1.327 28.950 2.969 99 2HE2 GLN 14 1HE2 GLN 14 -0.118 30.164 2.715 100 H ALA 15 H ALA 15 -5.312 26.933 0.808 101 HA ALA 15 HA ALA 15 -5.489 25.884 3.543 102 1HB ALA 15 1HB ALA 15 -7.047 24.142 2.792 103 2HB ALA 15 2HB ALA 15 -7.126 24.894 1.192 104 3HB ALA 15 3HB ALA 15 -7.730 25.758 2.608 105 H ALA 16 H ALA 16 -3.579 24.921 3.795 106 HA ALA 16 HA ALA 16 -2.322 23.562 1.540 107 1HB ALA 16 1HB ALA 16 -1.121 24.335 4.217 108 2HB ALA 16 2HB ALA 16 -0.957 25.239 2.714 109 3HB ALA 16 3HB ALA 16 -0.258 23.625 2.854 110 H SER 17 H SER 17 -1.751 21.422 1.590 111 HA SER 17 HA SER 17 -2.359 19.868 4.007 112 1HB SER 17 1HB SER 17 -3.235 19.064 1.216 113 2HB SER 17 2HB SER 17 -3.475 18.135 2.683 114 HG SER 17 HG SER 17 -4.776 20.406 1.769 115 H SER 18 H SER 18 -0.183 19.575 4.447 116 HA SER 18 HA SER 18 1.560 18.589 2.360 117 1HB SER 18 1HB SER 18 3.315 18.786 4.191 118 2HB SER 18 2HB SER 18 2.525 20.292 3.740 119 HG SER 18 HG SER 18 2.372 18.845 6.105 120 HA PRO 19 HA PRO 19 0.508 14.343 3.520 121 1HB PRO 19 1HB PRO 19 2.933 13.871 1.841 122 2HB PRO 19 2HB PRO 19 1.337 13.113 1.741 123 1HG PRO 19 1HG PRO 19 2.073 14.950 -0.049 124 2HG PRO 19 2HG PRO 19 0.412 14.892 0.551 125 1HD PRO 19 1HD PRO 19 2.627 16.772 1.250 126 2HD PRO 19 2HD PRO 19 0.875 17.082 1.096 127 H GLY 20 H GLY 20 3.617 15.955 3.771 128 1HA GLY 20 1HA GLY 20 4.770 15.854 5.921 129 2HA GLY 20 2HA GLY 20 4.368 14.147 5.975 130 H GLY 21 H GLY 21 6.984 15.073 6.283 131 1HA GLY 21 1HA GLY 21 8.408 14.865 3.789 132 2HA GLY 21 2HA GLY 21 9.107 14.915 5.404 133 H ALA 22 H ALA 22 9.468 13.015 6.544 134 HA ALA 22 HA ALA 22 9.009 10.522 5.013 135 1HB ALA 22 1HB ALA 22 11.122 11.088 7.098 136 2HB ALA 22 2HB ALA 22 11.384 10.994 5.364 137 3HB ALA 22 3HB ALA 22 10.872 9.567 6.260 138 H ARG 23 H ARG 23 7.436 9.285 5.827 139 HA ARG 23 HA ARG 23 6.972 9.371 8.736 140 1HB ARG 23 1HB ARG 23 4.556 8.990 8.331 141 2HB ARG 23 2HB ARG 23 5.106 10.520 7.650 142 1HG ARG 23 1HG ARG 23 5.045 9.670 5.427 143 2HG ARG 23 2HG ARG 23 4.795 8.011 6.005 144 1HD ARG 23 1HD ARG 23 2.849 10.267 6.493 145 2HD ARG 23 2HD ARG 23 2.735 9.126 5.146 146 HE ARG 23 HE ARG 23 2.310 7.380 6.691 147 1HH1 ARG 23 1HH1 ARG 23 2.332 10.551 8.184 148 2HH1 ARG 23 2HH1 ARG 23 1.439 10.036 9.572 149 1HH2 ARG 23 1HH2 ARG 23 1.110 6.712 8.524 150 2HH2 ARG 23 2HH2 ARG 23 0.747 7.849 9.764 151 H ALA 24 H ALA 24 6.573 7.407 9.723 152 HA ALA 24 HA ALA 24 7.254 5.047 8.087 153 1HB ALA 24 1HB ALA 24 7.987 4.020 10.196 154 2HB ALA 24 2HB ALA 24 7.551 5.498 11.067 155 3HB ALA 24 3HB ALA 24 8.843 5.514 9.862 156 H VAL 25 H VAL 25 5.710 3.611 7.734 157 HA VAL 25 HA VAL 25 3.419 3.464 9.589 158 HB VAL 25 HB VAL 25 2.051 2.665 7.706 159 1HG1 VAL 25 1HG1 VAL 25 3.485 5.260 7.145 160 2HG1 VAL 25 2HG1 VAL 25 2.030 5.053 8.121 161 3HG1 VAL 25 3HG1 VAL 25 1.983 4.757 6.381 162 1HG2 VAL 25 1HG2 VAL 25 4.554 3.086 6.068 163 2HG2 VAL 25 2HG2 VAL 25 2.948 2.801 5.372 164 3HG2 VAL 25 3HG2 VAL 25 3.709 1.558 6.354 165 H SER 26 H SER 26 2.786 1.463 10.295 166 HA SER 26 HA SER 26 4.830 -0.616 9.999 167 1HB SER 26 1HB SER 26 2.640 -0.439 12.072 168 2HB SER 26 2HB SER 26 4.058 -1.498 12.096 169 HG SER 26 HG SER 26 4.307 1.326 12.013 170 H ILE 27 H ILE 27 4.299 -2.795 9.799 171 HA ILE 27 HA ILE 27 1.672 -3.418 8.605 172 HB ILE 27 HB ILE 27 4.283 -4.792 7.917 173 1HG1 ILE 27 1HG1 ILE 27 4.292 -2.437 7.105 174 2HG1 ILE 27 2HG1 ILE 27 4.300 -3.618 5.798 175 1HG2 ILE 27 1HG2 ILE 27 1.579 -4.954 6.592 176 2HG2 ILE 27 2HG2 ILE 27 2.268 -6.171 7.667 177 3HG2 ILE 27 3HG2 ILE 27 3.029 -5.846 6.109 178 1HD1 ILE 27 1HD1 ILE 27 2.851 -1.787 5.270 179 2HD1 ILE 27 2HD1 ILE 27 1.941 -2.031 6.763 180 3HD1 ILE 27 3HD1 ILE 27 1.898 -3.255 5.481 181 H VAL 28 H VAL 28 0.588 -5.052 9.620 182 HA VAL 28 HA VAL 28 2.029 -6.501 11.723 183 HB VAL 28 HB VAL 28 -0.279 -7.091 12.566 184 1HG1 VAL 28 1HG1 VAL 28 1.041 -5.292 13.588 185 2HG1 VAL 28 2HG1 VAL 28 -0.679 -4.899 13.603 186 3HG1 VAL 28 3HG1 VAL 28 0.375 -4.149 12.414 187 1HG2 VAL 28 1HG2 VAL 28 -1.540 -6.746 10.523 188 2HG2 VAL 28 2HG2 VAL 28 -1.155 -5.019 10.546 189 3HG2 VAL 28 3HG2 VAL 28 -2.167 -5.718 11.809 190 H GLY 29 H GLY 29 2.991 -8.115 10.595 191 1HA GLY 29 1HA GLY 29 3.079 -10.281 9.784 192 2HA GLY 29 2HA GLY 29 1.328 -10.336 9.785 193 H ASN 30 H ASN 30 0.221 -9.135 8.078 194 HA ASN 30 HA ASN 30 1.763 -8.255 5.793 195 1HB ASN 30 1HB ASN 30 0.692 -9.719 4.177 196 2HB ASN 30 2HB ASN 30 1.507 -10.691 5.404 197 1HD2 ASN 30 2HD2 ASN 30 -1.552 -9.683 4.135 198 2HD2 ASN 30 1HD2 ASN 30 -2.521 -10.862 4.937 199 H GLN 31 H GLN 31 -0.277 -7.349 7.868 200 HA GLN 31 HA GLN 31 -2.359 -6.325 6.050 201 1HB GLN 31 1HB GLN 31 -3.197 -7.923 7.778 202 2HB GLN 31 2HB GLN 31 -2.580 -6.842 9.018 203 1HG GLN 31 1HG GLN 31 -4.119 -5.071 8.155 204 2HG GLN 31 2HG GLN 31 -4.804 -6.289 7.069 205 1HE2 GLN 31 2HE2 GLN 31 -4.550 -5.179 10.346 206 2HE2 GLN 31 1HE2 GLN 31 -5.787 -6.180 11.014 207 H ILE 32 H ILE 32 -3.250 -4.226 6.684 208 HA ILE 32 HA ILE 32 -1.740 -2.409 8.268 209 HB ILE 32 HB ILE 32 -0.160 -2.550 6.375 210 1HG1 ILE 32 1HG1 ILE 32 -1.699 0.076 6.493 211 2HG1 ILE 32 2HG1 ILE 32 -0.384 -0.414 7.562 212 1HG2 ILE 32 1HG2 ILE 32 -2.474 -1.614 4.672 213 2HG2 ILE 32 2HG2 ILE 32 -1.723 -3.210 4.634 214 3HG2 ILE 32 3HG2 ILE 32 -0.804 -1.793 4.144 215 1HD1 ILE 32 1HD1 ILE 32 0.342 1.192 5.890 216 2HD1 ILE 32 2HD1 ILE 32 -0.157 0.085 4.610 217 3HD1 ILE 32 3HD1 ILE 32 1.169 -0.352 5.683 218 H ASP 33 H ASP 33 -2.752 -0.298 8.289 219 HA ASP 33 HA ASP 33 -5.538 -0.400 7.399 220 1HB ASP 33 1HB ASP 33 -4.151 1.452 9.340 221 2HB ASP 33 2HB ASP 33 -5.849 1.577 8.926 222 H SER 34 H SER 34 -6.425 1.047 6.007 223 HA SER 34 HA SER 34 -4.786 2.325 4.092 224 1HB SER 34 1HB SER 34 -7.159 1.493 3.762 225 2HB SER 34 2HB SER 34 -7.717 2.908 4.670 226 HG SER 34 HG SER 34 -6.347 4.087 2.994 227 H ARG 35 H ARG 35 -6.043 3.361 7.133 228 HA ARG 35 HA ARG 35 -5.998 6.156 6.638 229 1HB ARG 35 1HB ARG 35 -6.035 4.584 9.196 230 2HB ARG 35 2HB ARG 35 -6.016 6.346 9.163 231 1HG ARG 35 1HG ARG 35 -8.179 4.513 8.129 232 2HG ARG 35 2HG ARG 35 -8.269 5.676 9.442 233 1HD ARG 35 1HD ARG 35 -8.060 6.222 6.481 234 2HD ARG 35 2HD ARG 35 -9.372 6.656 7.576 235 HE ARG 35 HE ARG 35 -7.137 7.950 8.530 236 1HH1 ARG 35 1HH1 ARG 35 -8.924 7.929 5.510 237 2HH1 ARG 35 2HH1 ARG 35 -8.499 9.552 5.087 238 1HH2 ARG 35 1HH2 ARG 35 -6.539 10.065 7.962 239 2HH2 ARG 35 2HH2 ARG 35 -7.130 10.780 6.492 240 H GLU 36 H GLU 36 -3.639 3.872 7.883 241 HA GLU 36 HA GLU 36 -1.758 5.705 8.828 242 1HB GLU 36 1HB GLU 36 -1.164 2.993 7.633 243 2HB GLU 36 2HB GLU 36 -0.145 3.900 8.723 244 1HG GLU 36 1HG GLU 36 -2.791 2.621 9.327 245 2HG GLU 36 2HG GLU 36 -1.210 2.164 9.975 246 H LEU 37 H LEU 37 -2.241 4.342 5.625 247 HA LEU 37 HA LEU 37 0.029 5.637 4.449 248 1HB LEU 37 1HB LEU 37 -2.403 4.328 3.187 249 2HB LEU 37 2HB LEU 37 -0.985 4.862 2.294 250 HG LEU 37 HG LEU 37 -1.026 2.685 4.396 251 1HD1 LEU 37 1HD1 LEU 37 -2.128 2.038 2.307 252 2HD1 LEU 37 2HD1 LEU 37 -0.608 1.167 2.541 253 3HD1 LEU 37 3HD1 LEU 37 -0.692 2.510 1.401 254 1HD2 LEU 37 1HD2 LEU 37 1.090 3.858 4.423 255 2HD2 LEU 37 2HD2 LEU 37 1.224 3.724 2.679 256 3HD2 LEU 37 3HD2 LEU 37 1.293 2.276 3.675 257 H PHE 38 H PHE 38 -3.481 6.173 4.287 258 HA PHE 38 HA PHE 38 -3.050 8.611 2.754 259 1HB PHE 38 1HB PHE 38 -5.602 7.112 3.365 260 2HB PHE 38 2HB PHE 38 -5.473 8.508 2.294 261 HD1 PHE 38 HD1 PHE 38 -4.239 8.308 0.146 262 HD2 PHE 38 HD2 PHE 38 -4.952 4.911 2.610 263 HE1 PHE 38 HE1 PHE 38 -3.716 6.827 -1.756 264 HE2 PHE 38 HE2 PHE 38 -4.437 3.442 0.723 265 HZ PHE 38 HZ PHE 38 -3.810 4.382 -1.459 266 H THR 39 H THR 39 -2.398 8.569 5.536 267 HA THR 39 HA THR 39 -4.331 9.552 7.264 268 HB THR 39 HB THR 39 -2.223 8.765 8.122 269 HG1 THR 39 HG1 THR 39 -3.346 10.942 8.960 270 1HG2 THR 39 1HG2 THR 39 -0.129 10.090 7.792 271 2HG2 THR 39 2HG2 THR 39 -0.990 11.076 6.601 272 3HG2 THR 39 3HG2 THR 39 -0.739 9.353 6.301 273 H VAL 40 H VAL 40 -2.267 11.383 5.012 274 HA VAL 40 HA VAL 40 -3.695 13.832 5.802 275 HB VAL 40 HB VAL 40 -0.866 13.701 4.707 276 1HG1 VAL 40 1HG1 VAL 40 -0.819 16.103 5.267 277 2HG1 VAL 40 2HG1 VAL 40 -2.522 16.027 5.716 278 3HG1 VAL 40 3HG1 VAL 40 -2.037 15.719 4.053 279 1HG2 VAL 40 1HG2 VAL 40 -1.824 14.269 7.522 280 2HG2 VAL 40 2HG2 VAL 40 -0.170 14.441 6.951 281 3HG2 VAL 40 3HG2 VAL 40 -0.931 12.844 7.001 282 H ASP 41 H ASP 41 -2.033 12.247 3.066 283 HA ASP 41 HA ASP 41 -3.569 13.869 1.173 284 1HB ASP 41 1HB ASP 41 -1.045 13.422 0.931 285 2HB ASP 41 2HB ASP 41 -1.476 11.773 0.491 286 H ARG 42 H ARG 42 -4.052 12.142 -0.901 287 HA ARG 42 HA ARG 42 -5.590 9.969 0.300 288 1HB ARG 42 1HB ARG 42 -6.650 12.139 -1.517 289 2HB ARG 42 2HB ARG 42 -7.478 10.604 -1.304 290 1HG ARG 42 1HG ARG 42 -7.617 11.024 1.127 291 2HG ARG 42 2HG ARG 42 -6.830 12.583 0.888 292 1HD ARG 42 1HD ARG 42 -8.669 13.366 -0.450 293 2HD ARG 42 2HD ARG 42 -9.457 11.783 -0.383 294 HE ARG 42 HE ARG 42 -8.938 12.975 2.225 295 1HH1 ARG 42 1HH1 ARG 42 -11.235 12.760 -0.450 296 2HH1 ARG 42 2HH1 ARG 42 -12.618 13.040 0.572 297 1HH2 ARG 42 1HH2 ARG 42 -10.768 13.399 3.528 298 2HH2 ARG 42 2HH2 ARG 42 -12.355 13.373 2.827 299 H GLU 43 H GLU 43 -3.126 10.488 -1.464 300 HA GLU 43 HA GLU 43 -3.596 8.151 -3.127 301 1HB GLU 43 1HB GLU 43 -4.057 10.121 -4.588 302 2HB GLU 43 2HB GLU 43 -2.440 10.718 -4.261 303 1HG GLU 43 1HG GLU 43 -1.497 8.722 -5.318 304 2HG GLU 43 2HG GLU 43 -3.125 8.134 -5.663 305 H ILE 44 H ILE 44 -1.820 6.899 -3.327 306 HA ILE 44 HA ILE 44 0.757 7.885 -2.280 307 HB ILE 44 HB ILE 44 -0.476 5.153 -1.719 308 1HG1 ILE 44 1HG1 ILE 44 -1.418 6.978 -0.320 309 2HG1 ILE 44 2HG1 ILE 44 -0.484 5.839 0.648 310 1HG2 ILE 44 1HG2 ILE 44 2.219 6.271 -0.896 311 2HG2 ILE 44 2HG2 ILE 44 1.934 4.966 -2.040 312 3HG2 ILE 44 3HG2 ILE 44 1.530 4.747 -0.333 313 1HD1 ILE 44 1HD1 ILE 44 0.446 8.550 -0.280 314 2HD1 ILE 44 2HD1 ILE 44 1.398 7.396 0.651 315 3HD1 ILE 44 3HD1 ILE 44 -0.048 8.099 1.351 316 H VAL 45 H VAL 45 2.601 7.088 -3.391 317 HA VAL 45 HA VAL 45 1.913 5.746 -5.924 318 HB VAL 45 HB VAL 45 4.312 7.500 -5.334 319 1HG1 VAL 45 1HG1 VAL 45 3.366 6.293 -7.929 320 2HG1 VAL 45 2HG1 VAL 45 4.785 5.776 -7.028 321 3HG1 VAL 45 3HG1 VAL 45 4.731 7.391 -7.743 322 1HG2 VAL 45 1HG2 VAL 45 1.858 8.094 -6.977 323 2HG2 VAL 45 2HG2 VAL 45 3.249 9.169 -6.752 324 3HG2 VAL 45 3HG2 VAL 45 2.205 8.764 -5.385 325 H ILE 46 H ILE 46 2.246 3.652 -5.629 326 HA ILE 46 HA ILE 46 4.599 2.636 -4.275 327 HB ILE 46 HB ILE 46 2.454 1.119 -5.784 328 1HG1 ILE 46 1HG1 ILE 46 2.705 1.662 -2.805 329 2HG1 ILE 46 2HG1 ILE 46 1.548 2.431 -3.886 330 1HG2 ILE 46 1HG2 ILE 46 4.516 -0.144 -5.548 331 2HG2 ILE 46 2HG2 ILE 46 3.236 -0.829 -4.550 332 3HG2 ILE 46 3HG2 ILE 46 4.505 0.138 -3.804 333 1HD1 ILE 46 1HD1 ILE 46 1.647 -0.482 -3.175 334 2HD1 ILE 46 2HD1 ILE 46 0.538 0.232 -4.347 335 3HD1 ILE 46 3HD1 ILE 46 0.452 0.697 -2.646 336 H ALA 47 H ALA 47 6.480 2.798 -5.384 337 HA ALA 47 HA ALA 47 6.577 2.592 -8.253 338 1HB ALA 47 1HB ALA 47 7.981 4.218 -7.069 339 2HB ALA 47 2HB ALA 47 8.941 3.074 -8.008 340 3HB ALA 47 3HB ALA 47 8.807 2.888 -6.263 341 H HIS 48 H HIS 48 7.362 0.857 -9.422 342 HA HIS 48 HA HIS 48 8.476 -1.453 -8.012 343 1HB HIS 48 1HB HIS 48 6.020 -1.784 -7.974 344 2HB HIS 48 2HB HIS 48 5.998 -1.656 -9.733 345 HD1 HIS 48 HD1 HIS 48 7.671 -3.843 -7.106 346 HD2 HIS 48 HD2 HIS 48 6.194 -4.045 -10.985 347 HE1 HIS 48 HE1 HIS 48 7.856 -6.255 -7.768 348 HE2 HIS 48 HE2 HIS 48 7.160 -6.301 -10.170 349 H GLY 49 H GLY 49 10.410 -1.271 -9.145 350 1HA GLY 49 1HA GLY 49 11.747 -2.032 -10.871 351 2HA GLY 49 2HA GLY 49 10.308 -2.417 -11.815 352 H ASP 50 H ASP 50 10.039 -1.192 -13.534 353 HA ASP 50 HA ASP 50 11.390 1.404 -13.697 354 1HB ASP 50 1HB ASP 50 11.701 -0.223 -15.556 355 2HB ASP 50 2HB ASP 50 9.974 -0.125 -15.887 356 H ASP 51 H ASP 51 8.252 -0.026 -13.344 357 HA ASP 51 HA ASP 51 6.888 2.389 -14.265 358 1HB ASP 51 1HB ASP 51 6.175 -0.004 -14.876 359 2HB ASP 51 2HB ASP 51 5.616 -0.149 -13.215 360 H ARG 52 H ARG 52 5.054 3.189 -12.942 361 HA ARG 52 HA ARG 52 5.592 3.006 -10.046 362 1HB ARG 52 1HB ARG 52 5.439 5.595 -11.639 363 2HB ARG 52 2HB ARG 52 5.323 5.518 -9.881 364 1HG ARG 52 1HG ARG 52 7.568 4.474 -9.826 365 2HG ARG 52 2HG ARG 52 7.698 4.735 -11.560 366 1HD ARG 52 1HD ARG 52 7.394 7.178 -11.152 367 2HD ARG 52 2HD ARG 52 7.403 6.846 -9.421 368 HE ARG 52 HE ARG 52 9.706 5.697 -10.445 369 1HH1 ARG 52 1HH1 ARG 52 8.351 8.904 -10.067 370 2HH1 ARG 52 2HH1 ARG 52 9.887 9.715 -10.082 371 1HH2 ARG 52 1HH2 ARG 52 11.739 6.750 -10.445 372 2HH2 ARG 52 2HH2 ARG 52 11.822 8.476 -10.268 373 H TYR 53 H TYR 53 3.755 2.851 -8.932 374 HA TYR 53 HA TYR 53 1.271 2.937 -10.485 375 1HB TYR 53 1HB TYR 53 2.070 1.191 -8.148 376 2HB TYR 53 2HB TYR 53 0.451 1.221 -8.851 377 HD1 TYR 53 HD1 TYR 53 0.183 0.562 -11.284 378 HD2 TYR 53 HD2 TYR 53 3.783 -0.130 -9.112 379 HE1 TYR 53 HE1 TYR 53 0.876 -1.103 -12.973 380 HE2 TYR 53 HE2 TYR 53 4.462 -1.817 -10.782 381 HH TYR 53 HH TYR 53 3.071 -2.055 -13.779 382 H ARG 54 H ARG 54 -0.259 4.264 -9.891 383 HA ARG 54 HA ARG 54 -0.071 5.643 -7.316 384 1HB ARG 54 1HB ARG 54 -1.766 6.187 -9.757 385 2HB ARG 54 2HB ARG 54 -1.702 7.211 -8.325 386 1HG ARG 54 1HG ARG 54 0.624 7.723 -8.724 387 2HG ARG 54 2HG ARG 54 0.678 6.570 -10.058 388 1HD ARG 54 1HD ARG 54 0.511 8.816 -10.915 389 2HD ARG 54 2HD ARG 54 -0.959 7.928 -11.276 390 HE ARG 54 HE ARG 54 -1.057 9.502 -8.861 391 1HH1 ARG 54 1HH1 ARG 54 -1.736 9.386 -12.305 392 2HH1 ARG 54 2HH1 ARG 54 -2.873 10.705 -12.242 393 1HH2 ARG 54 1HH2 ARG 54 -2.519 11.220 -8.767 394 2HH2 ARG 54 2HH2 ARG 54 -3.300 11.770 -10.243 395 H LEU 55 H LEU 55 -1.121 4.949 -5.694 396 HA LEU 55 HA LEU 55 -3.624 3.425 -5.957 397 1HB LEU 55 1HB LEU 55 -1.742 2.421 -4.638 398 2HB LEU 55 2HB LEU 55 -1.824 3.772 -3.530 399 HG LEU 55 HG LEU 55 -4.152 3.118 -2.955 400 1HD1 LEU 55 1HD1 LEU 55 -3.508 0.689 -4.636 401 2HD1 LEU 55 2HD1 LEU 55 -4.727 1.912 -4.992 402 3HD1 LEU 55 3HD1 LEU 55 -4.921 0.864 -3.587 403 1HD2 LEU 55 1HD2 LEU 55 -3.505 1.230 -1.570 404 2HD2 LEU 55 2HD2 LEU 55 -2.241 2.448 -1.576 405 3HD2 LEU 55 3HD2 LEU 55 -2.051 0.977 -2.527 406 H ARG 56 H ARG 56 -5.457 4.530 -5.614 407 HA ARG 56 HA ARG 56 -5.285 7.059 -4.131 408 1HB ARG 56 1HB ARG 56 -5.467 7.464 -6.551 409 2HB ARG 56 2HB ARG 56 -6.935 6.496 -6.585 410 1HG ARG 56 1HG ARG 56 -8.075 8.143 -5.175 411 2HG ARG 56 2HG ARG 56 -6.593 9.081 -5.071 412 1HD ARG 56 1HD ARG 56 -8.199 8.516 -7.553 413 2HD ARG 56 2HD ARG 56 -8.051 10.065 -6.724 414 HE ARG 56 HE ARG 56 -5.515 9.620 -7.268 415 1HH1 ARG 56 1HH1 ARG 56 -8.289 9.080 -9.338 416 2HH1 ARG 56 2HH1 ARG 56 -7.431 9.332 -10.826 417 1HH2 ARG 56 1HH2 ARG 56 -4.347 9.900 -9.208 418 2HH2 ARG 56 2HH2 ARG 56 -5.151 9.766 -10.741 419 H LEU 57 H LEU 57 -6.899 7.546 -2.733 420 HA LEU 57 HA LEU 57 -8.850 5.385 -2.188 421 1HB LEU 57 1HB LEU 57 -6.942 6.399 -0.516 422 2HB LEU 57 2HB LEU 57 -8.260 7.506 -0.164 423 HG LEU 57 HG LEU 57 -8.167 4.510 0.282 424 1HD1 LEU 57 1HD1 LEU 57 -7.100 5.862 1.992 425 2HD1 LEU 57 2HD1 LEU 57 -8.579 5.122 2.614 426 3HD1 LEU 57 3HD1 LEU 57 -8.580 6.824 2.160 427 1HD2 LEU 57 1HD2 LEU 57 -10.381 4.957 -0.566 428 2HD2 LEU 57 2HD2 LEU 57 -10.555 6.304 0.545 429 3HD2 LEU 57 3HD2 LEU 57 -10.458 4.672 1.179 430 H THR 58 H THR 58 -10.980 5.935 -1.990 431 HA THR 58 HA THR 58 -11.874 8.476 -2.993 432 HB THR 58 HB THR 58 -14.145 7.607 -2.744 433 HG1 THR 58 HG1 THR 58 -12.808 5.534 -1.348 434 1HG2 THR 58 1HG2 THR 58 -12.860 6.959 -4.762 435 2HG2 THR 58 2HG2 THR 58 -14.028 5.725 -4.296 436 3HG2 THR 58 3HG2 THR 58 -12.311 5.503 -3.933 437 H SER 59 H SER 59 -13.959 9.305 -1.597 438 HA SER 59 HA SER 59 -12.727 10.242 0.852 439 1HB SER 59 1HB SER 59 -13.994 11.702 -0.820 440 2HB SER 59 2HB SER 59 -15.464 10.964 -0.196 441 HG SER 59 HG SER 59 -14.381 11.687 1.959 442 H GLN 60 H GLN 60 -14.870 7.723 -0.037 443 HA GLN 60 HA GLN 60 -15.604 7.248 2.762 444 1HB GLN 60 1HB GLN 60 -18.035 7.047 2.205 445 2HB GLN 60 2HB GLN 60 -17.391 8.683 2.090 446 1HG GLN 60 1HG GLN 60 -17.244 8.438 -0.347 447 2HG GLN 60 2HG GLN 60 -17.889 6.813 -0.207 448 1HE2 GLN 60 2HE2 GLN 60 -19.045 9.458 1.752 449 2HE2 GLN 60 1HE2 GLN 60 -20.602 9.594 1.004 450 H ASN 61 H ASN 61 -15.629 6.091 -0.577 451 HA ASN 61 HA ASN 61 -16.979 3.632 0.273 452 1HB ASN 61 1HB ASN 61 -16.410 4.753 -2.474 453 2HB ASN 61 2HB ASN 61 -17.101 3.156 -2.221 454 1HD2 ASN 61 2HD2 ASN 61 -18.308 5.465 -3.531 455 2HD2 ASN 61 1HD2 ASN 61 -19.774 5.788 -2.675 456 H LYS 62 H LYS 62 -14.193 4.150 -1.997 457 HA LYS 62 HA LYS 62 -12.935 1.751 -0.880 458 1HB LYS 62 1HB LYS 62 -12.852 0.602 -3.063 459 2HB LYS 62 2HB LYS 62 -14.522 0.855 -2.554 460 1HG LYS 62 1HG LYS 62 -14.655 2.845 -4.025 461 2HG LYS 62 2HG LYS 62 -13.005 2.562 -4.555 462 1HD LYS 62 1HD LYS 62 -13.657 0.390 -5.485 463 2HD LYS 62 2HD LYS 62 -15.321 0.646 -4.935 464 1HE LYS 62 1HE LYS 62 -15.490 2.610 -6.366 465 2HE LYS 62 2HE LYS 62 -13.826 2.387 -6.900 466 1HZ LYS 62 1HZ LYS 62 -15.364 1.511 -8.530 467 2HZ LYS 62 2HZ LYS 62 -16.090 0.511 -7.368 468 3HZ LYS 62 3HZ LYS 62 -14.497 0.234 -7.829 469 H LEU 63 H LEU 63 -11.098 1.212 -2.825 470 HA LEU 63 HA LEU 63 -9.861 3.755 -3.592 471 1HB LEU 63 1HB LEU 63 -7.680 3.134 -2.826 472 2HB LEU 63 2HB LEU 63 -8.773 2.959 -1.474 473 HG LEU 63 HG LEU 63 -7.748 0.658 -3.141 474 1HD1 LEU 63 1HD1 LEU 63 -5.930 1.712 -1.944 475 2HD1 LEU 63 2HD1 LEU 63 -6.318 0.166 -1.214 476 3HD1 LEU 63 3HD1 LEU 63 -6.847 1.668 -0.451 477 1HD2 LEU 63 1HD2 LEU 63 -9.879 0.151 -2.090 478 2HD2 LEU 63 2HD2 LEU 63 -9.292 0.742 -0.546 479 3HD2 LEU 63 3HD2 LEU 63 -8.580 -0.704 -1.252 480 H ILE 64 H ILE 64 -8.094 3.307 -5.248 481 HA ILE 64 HA ILE 64 -8.570 0.942 -6.852 482 HB ILE 64 HB ILE 64 -8.910 2.378 -8.922 483 1HG1 ILE 64 1HG1 ILE 64 -10.151 4.591 -8.362 484 2HG1 ILE 64 2HG1 ILE 64 -9.366 4.486 -6.791 485 1HG2 ILE 64 1HG2 ILE 64 -11.082 2.325 -6.837 486 2HG2 ILE 64 2HG2 ILE 64 -10.684 1.021 -7.949 487 3HG2 ILE 64 3HG2 ILE 64 -11.344 2.542 -8.570 488 1HD1 ILE 64 1HD1 ILE 64 -7.943 4.596 -9.437 489 2HD1 ILE 64 2HD1 ILE 64 -7.190 4.562 -7.853 490 3HD1 ILE 64 3HD1 ILE 64 -8.169 5.946 -8.330 491 H LEU 65 H LEU 65 -7.180 0.964 -8.840 492 HA LEU 65 HA LEU 65 -4.527 2.068 -8.205 493 1HB LEU 65 1HB LEU 65 -4.738 -0.411 -8.403 494 2HB LEU 65 2HB LEU 65 -5.287 -0.210 -10.061 495 HG LEU 65 HG LEU 65 -3.097 0.773 -10.642 496 1HD1 LEU 65 1HD1 LEU 65 -2.350 0.022 -7.827 497 2HD1 LEU 65 2HD1 LEU 65 -2.503 1.655 -8.463 498 3HD1 LEU 65 3HD1 LEU 65 -1.230 0.583 -9.062 499 1HD2 LEU 65 1HD2 LEU 65 -3.520 -1.629 -10.977 500 2HD2 LEU 65 2HD2 LEU 65 -2.937 -1.956 -9.340 501 3HD2 LEU 65 3HD2 LEU 65 -1.829 -1.334 -10.569 502 H THR 66 H THR 66 -3.314 3.053 -9.893 503 HA THR 66 HA THR 66 -4.421 3.658 -12.432 504 HB THR 66 HB THR 66 -5.951 5.099 -11.197 505 HG1 THR 66 HG1 THR 66 -4.631 7.174 -12.159 506 1HG2 THR 66 1HG2 THR 66 -5.189 7.001 -9.882 507 2HG2 THR 66 2HG2 THR 66 -3.514 6.561 -10.189 508 3HG2 THR 66 3HG2 THR 66 -4.527 5.514 -9.204 509 H LYS 67 H LYS 67 -3.061 5.605 -13.412 510 HA LYS 67 HA LYS 67 -0.756 6.439 -12.052 511 1HB LYS 67 1HB LYS 67 0.951 5.455 -13.625 512 2HB LYS 67 2HB LYS 67 0.252 4.335 -12.473 513 1HG LYS 67 1HG LYS 67 -1.081 3.316 -14.170 514 2HG LYS 67 2HG LYS 67 -0.655 4.576 -15.331 515 1HD LYS 67 1HD LYS 67 1.696 3.865 -15.244 516 2HD LYS 67 2HD LYS 67 1.253 2.613 -14.074 517 1HE LYS 67 1HE LYS 67 -0.143 1.503 -15.730 518 2HE LYS 67 2HE LYS 67 0.190 2.779 -16.903 519 1HZ LYS 67 1HZ LYS 67 2.238 0.993 -15.721 520 2HZ LYS 67 2HZ LYS 67 2.497 2.170 -16.897 521 3HZ LYS 67 3HZ LYS 67 1.568 0.808 -17.262 522 1H MET 1 1H MET 1 46.643 -38.918 30.683 523 2H MET 1 2H MET 1 46.380 -37.710 31.815 524 3H MET 1 3H MET 1 45.322 -37.868 30.509 525 HA MET 1 HA MET 1 44.576 -39.979 31.305 526 1HB MET 1 1HB MET 1 46.410 -39.458 33.672 527 2HB MET 1 2HB MET 1 45.211 -40.744 33.579 528 1HG MET 1 1HG MET 1 46.433 -41.714 31.670 529 2HG MET 1 2HG MET 1 47.649 -40.422 31.831 530 1HE MET 1 1HE MET 1 47.687 -40.151 35.037 531 2HE MET 1 2HE MET 1 49.163 -40.116 34.081 532 3HE MET 1 3HE MET 1 49.039 -41.190 35.458 533 H MET 2 H MET 2 42.620 -38.960 31.350 534 HA MET 2 HA MET 2 41.712 -38.064 33.937 535 1HB MET 2 1HB MET 2 40.909 -35.860 33.225 536 2HB MET 2 2HB MET 2 42.653 -35.964 33.129 537 1HG MET 2 1HG MET 2 40.751 -36.180 30.800 538 2HG MET 2 2HG MET 2 41.696 -34.756 31.236 539 1HE MET 2 1HE MET 2 42.866 -34.541 28.875 540 2HE MET 2 2HE MET 2 41.815 -35.842 28.329 541 3HE MET 2 3HE MET 2 43.541 -35.909 27.994 542 H THR 3 H THR 3 39.416 -37.925 34.076 543 HA THR 3 HA THR 3 38.042 -39.677 32.214 544 HB THR 3 HB THR 3 36.951 -38.233 34.644 545 HG1 THR 3 HG1 THR 3 38.789 -40.081 34.599 546 1HG2 THR 3 1HG2 THR 3 35.930 -40.657 33.129 547 2HG2 THR 3 2HG2 THR 3 35.189 -39.048 33.136 548 3HG2 THR 3 3HG2 THR 3 35.236 -40.020 34.617 549 H ALA 4 H ALA 4 37.335 -38.805 30.329 550 HA ALA 4 HA ALA 4 35.697 -36.389 30.424 551 1HB ALA 4 1HB ALA 4 37.956 -35.579 29.906 552 2HB ALA 4 2HB ALA 4 36.862 -35.364 28.528 553 3HB ALA 4 3HB ALA 4 38.034 -36.688 28.524 554 H SER 5 H SER 5 34.267 -36.188 28.675 555 HA SER 5 HA SER 5 34.239 -38.177 26.578 556 1HB SER 5 1HB SER 5 33.079 -39.338 28.499 557 2HB SER 5 2HB SER 5 31.891 -38.042 28.516 558 HG SER 5 HG SER 5 30.951 -39.492 27.228 559 H ASP 6 H ASP 6 31.672 -37.781 25.633 560 HA ASP 6 HA ASP 6 31.856 -35.263 24.370 561 1HB ASP 6 1HB ASP 6 30.742 -37.176 23.311 562 2HB ASP 6 2HB ASP 6 29.501 -37.157 24.555 563 H ARG 7 H ARG 7 31.137 -33.306 24.956 564 HA ARG 7 HA ARG 7 30.073 -32.888 27.565 565 1HB ARG 7 1HB ARG 7 31.567 -31.223 26.655 566 2HB ARG 7 2HB ARG 7 30.531 -30.980 25.261 567 1HG ARG 7 1HG ARG 7 30.306 -29.148 26.834 568 2HG ARG 7 2HG ARG 7 28.797 -30.052 26.684 569 1HD ARG 7 1HD ARG 7 29.573 -31.320 28.762 570 2HD ARG 7 2HD ARG 7 30.777 -30.038 28.934 571 HE ARG 7 HE ARG 7 28.039 -29.137 28.665 572 1HH1 ARG 7 1HH1 ARG 7 30.664 -29.900 30.873 573 2HH1 ARG 7 2HH1 ARG 7 29.908 -29.115 32.231 574 1HH2 ARG 7 1HH2 ARG 7 27.093 -28.072 30.437 575 2HH2 ARG 7 2HH2 ARG 7 27.892 -28.086 31.975 576 H LEU 8 H LEU 8 28.056 -32.811 28.224 577 HA LEU 8 HA LEU 8 25.865 -33.114 26.407 578 1HB LEU 8 1HB LEU 8 24.499 -33.070 28.514 579 2HB LEU 8 2HB LEU 8 25.699 -34.340 28.415 580 HG LEU 8 HG LEU 8 27.199 -32.932 29.871 581 1HD1 LEU 8 1HD1 LEU 8 26.193 -31.202 31.233 582 2HD1 LEU 8 2HD1 LEU 8 24.702 -31.314 30.305 583 3HD1 LEU 8 3HD1 LEU 8 26.196 -30.762 29.529 584 1HD2 LEU 8 1HD2 LEU 8 25.908 -34.843 30.722 585 2HD2 LEU 8 2HD2 LEU 8 24.569 -33.750 31.078 586 3HD2 LEU 8 3HD2 LEU 8 26.103 -33.577 31.919 587 H GLY 9 H GLY 9 23.818 -31.691 27.217 588 1HA GLY 9 1HA GLY 9 23.008 -29.491 27.599 589 2HA GLY 9 2HA GLY 9 24.626 -28.861 27.360 590 H ALA 10 H ALA 10 22.651 -31.005 25.367 591 HA ALA 10 HA ALA 10 23.295 -29.423 23.007 592 1HB ALA 10 1HB ALA 10 23.553 -31.869 22.906 593 2HB ALA 10 2HB ALA 10 22.339 -31.298 21.745 594 3HB ALA 10 3HB ALA 10 21.831 -32.055 23.266 595 H ASP 11 H ASP 11 21.084 -29.027 25.292 596 HA ASP 11 HA ASP 11 18.718 -28.674 23.704 597 1HB ASP 11 1HB ASP 11 17.737 -27.634 25.740 598 2HB ASP 11 2HB ASP 11 18.433 -29.227 26.046 599 HA PRO 12 HA PRO 12 20.272 -24.688 22.393 600 1HB PRO 12 1HB PRO 12 18.977 -24.549 20.058 601 2HB PRO 12 2HB PRO 12 20.256 -25.745 20.303 602 1HG PRO 12 1HG PRO 12 17.275 -26.098 20.361 603 2HG PRO 12 2HG PRO 12 18.526 -27.154 19.676 604 1HD PRO 12 1HD PRO 12 17.336 -27.471 22.188 605 2HD PRO 12 2HD PRO 12 18.840 -28.224 21.670 606 H THR 13 H THR 13 17.262 -25.475 23.573 607 HA THR 13 HA THR 13 15.406 -24.356 24.247 608 HB THR 13 HB THR 13 17.258 -21.942 24.132 609 HG1 THR 13 HG1 THR 13 16.942 -24.085 25.932 610 1HG2 THR 13 1HG2 THR 13 14.703 -22.425 25.688 611 2HG2 THR 13 2HG2 THR 13 14.907 -21.277 24.353 612 3HG2 THR 13 3HG2 THR 13 15.764 -21.034 25.887 613 H GLN 14 H GLN 14 14.113 -24.672 22.448 614 HA GLN 14 HA GLN 14 14.252 -22.942 20.152 615 1HB GLN 14 1HB GLN 14 12.492 -24.276 19.199 616 2HB GLN 14 2HB GLN 14 13.653 -25.355 19.945 617 1HG GLN 14 1HG GLN 14 11.021 -24.554 21.172 618 2HG GLN 14 2HG GLN 14 11.301 -26.058 20.287 619 1HE2 GLN 14 2HE2 GLN 14 10.452 -25.687 23.036 620 2HE2 GLN 14 1HE2 GLN 14 11.619 -26.496 24.024 621 H ALA 15 H ALA 15 13.861 -21.414 22.355 622 HA ALA 15 HA ALA 15 11.188 -20.959 23.150 623 1HB ALA 15 1HB ALA 15 12.047 -18.907 24.189 624 2HB ALA 15 2HB ALA 15 13.571 -19.112 23.325 625 3HB ALA 15 3HB ALA 15 13.079 -20.304 24.510 626 H ALA 16 H ALA 16 13.287 -19.093 20.909 627 HA ALA 16 HA ALA 16 11.205 -17.244 20.229 628 1HB ALA 16 1HB ALA 16 12.777 -16.393 18.570 629 2HB ALA 16 2HB ALA 16 13.827 -17.790 18.816 630 3HB ALA 16 3HB ALA 16 13.571 -16.629 20.119 631 H SER 17 H SER 17 9.534 -18.774 19.644 632 HA SER 17 HA SER 17 9.772 -20.021 17.011 633 1HB SER 17 1HB SER 17 7.340 -20.742 17.594 634 2HB SER 17 2HB SER 17 8.658 -21.444 18.534 635 HG SER 17 HG SER 17 7.933 -20.479 20.241 636 H SER 18 H SER 18 8.257 -17.320 18.621 637 HA SER 18 HA SER 18 6.764 -16.463 16.287 638 1HB SER 18 1HB SER 18 7.398 -14.880 18.801 639 2HB SER 18 2HB SER 18 6.089 -14.587 17.651 640 HG SER 18 HG SER 18 5.066 -16.441 18.335 641 HA PRO 19 HA PRO 19 10.432 -14.370 14.702 642 1HB PRO 19 1HB PRO 19 9.426 -13.617 12.325 643 2HB PRO 19 2HB PRO 19 9.766 -15.330 12.665 644 1HG PRO 19 1HG PRO 19 7.146 -13.853 12.743 645 2HG PRO 19 2HG PRO 19 7.511 -15.464 12.094 646 1HD PRO 19 1HD PRO 19 6.388 -15.039 14.550 647 2HD PRO 19 2HD PRO 19 7.341 -16.468 14.138 648 H GLY 20 H GLY 20 7.531 -12.977 15.682 649 1HA GLY 20 1HA GLY 20 7.506 -10.754 16.621 650 2HA GLY 20 2HA GLY 20 8.626 -10.265 15.354 651 H GLY 21 H GLY 21 7.633 -10.858 13.054 652 1HA GLY 21 1HA GLY 21 5.855 -10.889 11.585 653 2HA GLY 21 2HA GLY 21 4.751 -10.800 12.942 654 H ALA 22 H ALA 22 6.502 -8.295 13.755 655 HA ALA 22 HA ALA 22 4.815 -6.439 12.224 656 1HB ALA 22 1HB ALA 22 4.645 -6.366 14.679 657 2HB ALA 22 2HB ALA 22 5.235 -4.846 14.012 658 3HB ALA 22 3HB ALA 22 6.355 -5.965 14.779 659 H ARG 23 H ARG 23 5.727 -5.323 10.649 660 HA ARG 23 HA ARG 23 8.589 -4.715 10.746 661 1HB ARG 23 1HB ARG 23 8.391 -4.888 8.144 662 2HB ARG 23 2HB ARG 23 8.631 -6.334 9.110 663 1HG ARG 23 1HG ARG 23 6.228 -6.813 9.004 664 2HG ARG 23 2HG ARG 23 5.987 -5.363 8.030 665 1HD ARG 23 1HD ARG 23 7.243 -6.263 6.225 666 2HD ARG 23 2HD ARG 23 7.836 -7.593 7.207 667 HE ARG 23 HE ARG 23 5.378 -8.249 7.301 668 1HH1 ARG 23 1HH1 ARG 23 6.813 -6.620 4.574 669 2HH1 ARG 23 2HH1 ARG 23 5.758 -7.374 3.411 670 1HH2 ARG 23 1HH2 ARG 23 4.017 -9.270 5.767 671 2HH2 ARG 23 2HH2 ARG 23 4.223 -8.915 4.083 672 H ALA 24 H ALA 24 9.206 -2.683 10.004 673 HA ALA 24 HA ALA 24 6.974 -0.808 9.695 674 1HB ALA 24 1HB ALA 24 8.514 0.901 10.497 675 2HB ALA 24 2HB ALA 24 9.796 -0.289 10.621 676 3HB ALA 24 3HB ALA 24 8.376 -0.418 11.669 677 H VAL 25 H VAL 25 6.707 0.106 7.782 678 HA VAL 25 HA VAL 25 8.954 0.239 5.897 679 HB VAL 25 HB VAL 25 7.269 0.234 4.063 680 1HG1 VAL 25 1HG1 VAL 25 8.433 -1.832 4.699 681 2HG1 VAL 25 2HG1 VAL 25 6.795 -2.181 4.161 682 3HG1 VAL 25 3HG1 VAL 25 7.182 -2.189 5.890 683 1HG2 VAL 25 1HG2 VAL 25 5.327 -0.405 6.301 684 2HG2 VAL 25 2HG2 VAL 25 4.984 -0.553 4.567 685 3HG2 VAL 25 3HG2 VAL 25 5.321 1.028 5.265 686 H SER 26 H SER 26 9.329 2.151 4.865 687 HA SER 26 HA SER 26 8.072 4.479 6.167 688 1HB SER 26 1HB SER 26 10.653 4.286 4.587 689 2HB SER 26 2HB SER 26 10.074 5.716 5.454 690 HG SER 26 HG SER 26 10.704 3.199 6.605 691 H ILE 27 H ILE 27 7.537 6.335 5.015 692 HA ILE 27 HA ILE 27 6.963 5.983 2.149 693 HB ILE 27 HB ILE 27 5.177 7.067 4.320 694 1HG1 ILE 27 1HG1 ILE 27 3.430 5.986 2.900 695 2HG1 ILE 27 2HG1 ILE 27 4.691 5.478 1.781 696 1HG2 ILE 27 1HG2 ILE 27 5.155 8.073 1.474 697 2HG2 ILE 27 2HG2 ILE 27 5.412 9.028 2.931 698 3HG2 ILE 27 3HG2 ILE 27 3.833 8.300 2.627 699 1HD1 ILE 27 1HD1 ILE 27 3.988 3.698 3.258 700 2HD1 ILE 27 2HD1 ILE 27 4.463 4.640 4.655 701 3HD1 ILE 27 3HD1 ILE 27 5.691 4.098 3.510 702 H VAL 28 H VAL 28 7.782 7.533 0.847 703 HA VAL 28 HA VAL 28 9.076 9.837 2.167 704 HB VAL 28 HB VAL 28 10.282 10.091 -0.052 705 1HG1 VAL 28 1HG1 VAL 28 11.901 8.300 0.414 706 2HG1 VAL 28 2HG1 VAL 28 10.716 7.505 1.459 707 3HG1 VAL 28 3HG1 VAL 28 11.368 9.091 1.897 708 1HG2 VAL 28 1HG2 VAL 28 9.136 7.348 -0.567 709 2HG2 VAL 28 2HG2 VAL 28 10.388 8.132 -1.522 710 3HG2 VAL 28 3HG2 VAL 28 8.769 8.816 -1.478 711 H GLY 29 H GLY 29 7.434 11.220 2.392 712 1HA GLY 29 1HA GLY 29 6.153 13.045 1.731 713 2HA GLY 29 2HA GLY 29 6.574 12.678 0.065 714 H ASN 30 H ASN 30 5.510 10.832 -0.931 715 HA ASN 30 HA ASN 30 3.161 9.712 0.336 716 1HB ASN 30 1HB ASN 30 1.577 10.395 -1.403 717 2HB ASN 30 2HB ASN 30 2.262 11.805 -0.625 718 1HD2 ASN 30 2HD2 ASN 30 2.150 9.910 -3.535 719 2HD2 ASN 30 1HD2 ASN 30 2.899 11.074 -4.555 720 H GLN 31 H GLN 31 5.832 9.038 -0.955 721 HA GLN 31 HA GLN 31 4.844 7.094 -2.950 722 1HB GLN 31 1HB GLN 31 6.393 8.962 -3.753 723 2HB GLN 31 2HB GLN 31 7.649 8.236 -2.779 724 1HG GLN 31 1HG GLN 31 6.425 6.276 -4.543 725 2HG GLN 31 2HG GLN 31 7.038 7.664 -5.433 726 1HE2 GLN 31 2HE2 GLN 31 9.235 8.160 -5.350 727 2HE2 GLN 31 1HE2 GLN 31 10.418 6.994 -4.892 728 H ILE 32 H ILE 32 6.125 5.085 -3.073 729 HA ILE 32 HA ILE 32 7.661 4.199 -0.846 730 HB ILE 32 HB ILE 32 5.453 4.148 0.240 731 1HG1 ILE 32 1HG1 ILE 32 6.450 1.353 -0.406 732 2HG1 ILE 32 2HG1 ILE 32 7.151 2.406 0.819 733 1HG2 ILE 32 1HG2 ILE 32 3.661 2.710 -0.544 734 2HG2 ILE 32 2HG2 ILE 32 4.638 2.214 -1.932 735 3HG2 ILE 32 3HG2 ILE 32 4.086 3.885 -1.788 736 1HD1 ILE 32 1HD1 ILE 32 5.727 0.793 1.865 737 2HD1 ILE 32 2HD1 ILE 32 4.379 1.219 0.809 738 3HD1 ILE 32 3HD1 ILE 32 4.985 2.388 1.991 739 H ASP 33 H ASP 33 8.416 1.966 -1.211 740 HA ASP 33 HA ASP 33 8.235 1.222 -4.038 741 1HB ASP 33 1HB ASP 33 10.457 1.526 -2.727 742 2HB ASP 33 2HB ASP 33 10.095 -0.049 -2.014 743 H SER 34 H SER 34 7.462 -0.743 -4.704 744 HA SER 34 HA SER 34 5.571 -2.102 -3.145 745 1HB SER 34 1HB SER 34 5.493 -2.005 -5.592 746 2HB SER 34 2HB SER 34 6.968 -2.985 -5.692 747 HG SER 34 HG SER 34 4.978 -4.087 -4.165 748 H ARG 35 H ARG 35 8.970 -2.475 -3.446 749 HA ARG 35 HA ARG 35 9.106 -5.239 -2.748 750 1HB ARG 35 1HB ARG 35 11.215 -3.076 -2.623 751 2HB ARG 35 2HB ARG 35 11.542 -4.770 -2.330 752 1HG ARG 35 1HG ARG 35 10.537 -3.568 -4.904 753 2HG ARG 35 2HG ARG 35 12.171 -4.183 -4.578 754 1HD ARG 35 1HD ARG 35 11.306 -6.430 -4.296 755 2HD ARG 35 2HD ARG 35 9.652 -5.872 -4.491 756 HE ARG 35 HE ARG 35 10.992 -5.094 -6.784 757 1HH1 ARG 35 1HH1 ARG 35 10.367 -8.136 -5.148 758 2HH1 ARG 35 2HH1 ARG 35 10.265 -9.046 -6.628 759 1HH2 ARG 35 1HH2 ARG 35 10.887 -6.337 -8.701 760 2HH2 ARG 35 2HH2 ARG 35 10.587 -8.043 -8.631 761 H GLU 36 H GLU 36 9.166 -2.222 -0.943 762 HA GLU 36 HA GLU 36 10.015 -3.236 1.545 763 1HB GLU 36 1HB GLU 36 8.164 -0.891 1.025 764 2HB GLU 36 2HB GLU 36 9.131 -1.163 2.479 765 1HG GLU 36 1HG GLU 36 11.189 -0.947 1.158 766 2HG GLU 36 2HG GLU 36 10.233 -0.672 -0.292 767 H LEU 37 H LEU 37 6.836 -3.017 0.078 768 HA LEU 37 HA LEU 37 5.451 -3.999 2.401 769 1HB LEU 37 1HB LEU 37 4.506 -3.759 -0.462 770 2HB LEU 37 2HB LEU 37 3.493 -4.087 0.928 771 HG LEU 37 HG LEU 37 5.057 -1.539 0.493 772 1HD1 LEU 37 1HD1 LEU 37 2.870 -0.503 0.073 773 2HD1 LEU 37 2HD1 LEU 37 2.132 -2.103 0.183 774 3HD1 LEU 37 3HD1 LEU 37 3.259 -1.753 -1.120 775 1HD2 LEU 37 1HD2 LEU 37 3.713 -0.704 2.370 776 2HD2 LEU 37 2HD2 LEU 37 4.757 -2.033 2.852 777 3HD2 LEU 37 3HD2 LEU 37 3.034 -2.316 2.596 778 H PHE 38 H PHE 38 6.262 -5.345 -0.803 779 HA PHE 38 HA PHE 38 5.262 -7.960 0.039 780 1HB PHE 38 1HB PHE 38 6.151 -6.957 -2.696 781 2HB PHE 38 2HB PHE 38 5.415 -8.526 -2.363 782 HD1 PHE 38 HD2 PHE 38 3.043 -8.629 -1.494 783 HD2 PHE 38 HD1 PHE 38 4.789 -5.050 -3.020 784 HE1 PHE 38 HE2 PHE 38 0.808 -7.673 -1.839 785 HE2 PHE 38 HE1 PHE 38 2.550 -4.098 -3.357 786 HZ PHE 38 HZ PHE 38 0.556 -5.423 -2.760 787 H THR 39 H THR 39 7.710 -6.993 1.149 788 HA THR 39 HA THR 39 10.036 -7.853 -0.097 789 HB THR 39 HB THR 39 10.105 -6.386 1.828 790 HG1 THR 39 HG1 THR 39 11.564 -8.003 3.170 791 1HG2 THR 39 1HG2 THR 39 8.243 -7.283 3.128 792 2HG2 THR 39 2HG2 THR 39 9.712 -7.219 4.108 793 3HG2 THR 39 3HG2 THR 39 9.157 -8.755 3.442 794 H VAL 40 H VAL 40 7.791 -9.699 1.940 795 HA VAL 40 HA VAL 40 9.467 -12.096 1.453 796 HB VAL 40 HB VAL 40 9.559 -11.535 3.790 797 1HG1 VAL 40 1HG1 VAL 40 7.604 -11.516 5.242 798 2HG1 VAL 40 2HG1 VAL 40 6.549 -11.780 3.846 799 3HG1 VAL 40 3HG1 VAL 40 7.465 -10.281 3.998 800 1HG2 VAL 40 1HG2 VAL 40 7.850 -13.962 3.284 801 2HG2 VAL 40 2HG2 VAL 40 8.822 -13.681 4.741 802 3HG2 VAL 40 3HG2 VAL 40 9.602 -13.886 3.169 803 H ASP 41 H ASP 41 6.120 -11.014 2.079 804 HA ASP 41 HA ASP 41 5.097 -13.388 0.734 805 1HB ASP 41 1HB ASP 41 2.860 -12.064 1.408 806 2HB ASP 41 2HB ASP 41 3.696 -13.141 2.511 807 H ARG 42 H ARG 42 2.853 -12.485 -0.567 808 HA ARG 42 HA ARG 42 3.901 -10.482 -2.450 809 1HB ARG 42 1HB ARG 42 4.313 -12.926 -3.171 810 2HB ARG 42 2HB ARG 42 2.566 -13.049 -3.362 811 1HG ARG 42 1HG ARG 42 3.522 -12.577 -5.501 812 2HG ARG 42 2HG ARG 42 2.652 -11.136 -4.949 813 1HD ARG 42 1HD ARG 42 4.745 -10.435 -5.884 814 2HD ARG 42 2HD ARG 42 4.856 -10.228 -4.132 815 HE ARG 42 HE ARG 42 6.075 -12.458 -5.659 816 1HH1 ARG 42 1HH1 ARG 42 6.064 -10.272 -2.904 817 2HH1 ARG 42 2HH1 ARG 42 7.629 -10.773 -2.362 818 1HH2 ARG 42 1HH2 ARG 42 8.144 -13.076 -4.942 819 2HH2 ARG 42 2HH2 ARG 42 8.810 -12.339 -3.510 820 H GLU 43 H GLU 43 1.748 -10.875 -0.271 821 HA GLU 43 HA GLU 43 -0.256 -9.293 -1.668 822 1HB GLU 43 1HB GLU 43 -1.102 -11.618 -1.849 823 2HB GLU 43 2HB GLU 43 -1.015 -11.783 -0.103 824 1HG GLU 43 1HG GLU 43 -2.664 -9.933 0.104 825 2HG GLU 43 2HG GLU 43 -2.782 -9.872 -1.635 826 H ILE 44 H ILE 44 -1.188 -7.791 -0.361 827 HA ILE 44 HA ILE 44 -0.559 -7.835 2.519 828 HB ILE 44 HB ILE 44 -0.343 -5.412 0.691 829 1HG1 ILE 44 1HG1 ILE 44 1.587 -6.923 0.589 830 2HG1 ILE 44 2HG1 ILE 44 2.012 -5.374 1.302 831 1HG2 ILE 44 1HG2 ILE 44 0.381 -4.188 2.721 832 2HG2 ILE 44 2HG2 ILE 44 -0.063 -5.607 3.692 833 3HG2 ILE 44 3HG2 ILE 44 -1.302 -4.725 2.795 834 1HD1 ILE 44 1HD1 ILE 44 1.514 -7.945 2.809 835 2HD1 ILE 44 2HD1 ILE 44 1.923 -6.393 3.524 836 3HD1 ILE 44 3HD1 ILE 44 3.083 -7.215 2.476 837 H VAL 45 H VAL 45 -2.261 -6.954 3.832 838 HA VAL 45 HA VAL 45 -4.785 -6.598 2.363 839 HB VAL 45 HB VAL 45 -4.399 -7.537 5.223 840 1HG1 VAL 45 1HG1 VAL 45 -6.509 -6.319 4.919 841 2HG1 VAL 45 2HG1 VAL 45 -6.798 -8.041 5.180 842 3HG1 VAL 45 3HG1 VAL 45 -6.906 -7.367 3.564 843 1HG2 VAL 45 1HG2 VAL 45 -5.178 -9.112 2.753 844 2HG2 VAL 45 2HG2 VAL 45 -5.159 -9.729 4.410 845 3HG2 VAL 45 3HG2 VAL 45 -3.654 -9.237 3.639 846 H ILE 46 H ILE 46 -5.057 -4.493 2.126 847 HA ILE 46 HA ILE 46 -4.596 -2.607 4.294 848 HB ILE 46 HB ILE 46 -5.858 -2.147 1.581 849 1HG1 ILE 46 1HG1 ILE 46 -2.983 -1.723 2.462 850 2HG1 ILE 46 2HG1 ILE 46 -3.537 -3.019 1.402 851 1HG2 ILE 46 1HG2 ILE 46 -6.435 -0.382 3.145 852 2HG2 ILE 46 2HG2 ILE 46 -5.270 0.234 1.956 853 3HG2 ILE 46 3HG2 ILE 46 -4.732 -0.192 3.584 854 1HD1 ILE 46 1HD1 ILE 46 -2.524 -1.289 0.085 855 2HD1 ILE 46 2HD1 ILE 46 -3.589 -0.062 0.801 856 3HD1 ILE 46 3HD1 ILE 46 -4.259 -1.322 -0.241 857 H ALA 47 H ALA 47 -6.058 -2.639 5.904 858 HA ALA 47 HA ALA 47 -8.850 -3.246 5.424 859 1HB ALA 47 1HB ALA 47 -7.757 -4.143 7.428 860 2HB ALA 47 2HB ALA 47 -9.068 -3.045 7.876 861 3HB ALA 47 3HB ALA 47 -7.391 -2.510 7.971 862 H HIS 48 H HIS 48 -10.508 -1.789 5.486 863 HA HIS 48 HA HIS 48 -9.966 1.010 6.106 864 1HB HIS 48 1HB HIS 48 -9.412 1.046 3.799 865 2HB HIS 48 2HB HIS 48 -10.762 0.001 3.376 866 HD1 HIS 48 HD1 HIS 48 -10.411 3.463 5.010 867 HD2 HIS 48 HD2 HIS 48 -12.744 1.434 2.220 868 HE1 HIS 48 HE1 HIS 48 -12.076 5.151 4.164 869 HE2 HIS 48 HE2 HIS 48 -13.619 3.813 2.673 870 H GLY 49 H GLY 49 -11.485 0.954 7.763 871 1HA GLY 49 1HA GLY 49 -13.577 1.503 8.523 872 2HA GLY 49 2HA GLY 49 -14.217 1.273 6.900 873 H ASP 50 H ASP 50 -15.551 -0.417 6.687 874 HA ASP 50 HA ASP 50 -15.423 -2.604 8.653 875 1HB ASP 50 1HB ASP 50 -17.639 -1.676 8.251 876 2HB ASP 50 2HB ASP 50 -17.475 -1.919 6.519 877 H ASP 51 H ASP 51 -14.602 -1.854 5.365 878 HA ASP 51 HA ASP 51 -14.637 -4.667 4.578 879 1HB ASP 51 1HB ASP 51 -15.581 -2.821 3.122 880 2HB ASP 51 2HB ASP 51 -13.934 -2.268 2.889 881 H ARG 52 H ARG 52 -12.751 -5.474 3.364 882 HA ARG 52 HA ARG 52 -10.196 -4.382 4.289 883 1HB ARG 52 1HB ARG 52 -10.989 -7.301 4.502 884 2HB ARG 52 2HB ARG 52 -9.405 -6.660 4.860 885 1HG ARG 52 1HG ARG 52 -10.372 -5.311 6.692 886 2HG ARG 52 2HG ARG 52 -11.950 -5.980 6.323 887 1HD ARG 52 1HD ARG 52 -11.009 -8.251 6.777 888 2HD ARG 52 2HD ARG 52 -9.528 -7.476 7.326 889 HE ARG 52 HE ARG 52 -11.882 -6.518 8.664 890 1HH1 ARG 52 1HH1 ARG 52 -9.450 -9.043 8.623 891 2HH1 ARG 52 2HH1 ARG 52 -9.657 -9.456 10.301 892 1HH2 ARG 52 1HH2 ARG 52 -12.163 -7.066 10.862 893 2HH2 ARG 52 2HH2 ARG 52 -11.213 -8.336 11.568 894 H TYR 53 H TYR 53 -8.731 -4.321 2.729 895 HA TYR 53 HA TYR 53 -9.546 -5.410 0.111 896 1HB TYR 53 1HB TYR 53 -7.903 -2.946 0.791 897 2HB TYR 53 2HB TYR 53 -8.201 -3.539 -0.846 898 HD1 TYR 53 HD1 TYR 53 -10.399 -3.316 -1.877 899 HD2 TYR 53 HD2 TYR 53 -9.672 -1.866 2.068 900 HE1 TYR 53 HE1 TYR 53 -12.472 -2.013 -1.972 901 HE2 TYR 53 HE2 TYR 53 -11.770 -0.585 1.976 902 HH TYR 53 HH TYR 53 -14.121 -1.047 -0.407 903 H ARG 54 H ARG 54 -8.050 -6.318 -1.189 904 HA ARG 54 HA ARG 54 -5.643 -7.304 0.192 905 1HB ARG 54 1HB ARG 54 -7.491 -8.882 -1.606 906 2HB ARG 54 2HB ARG 54 -5.872 -9.430 -1.178 907 1HG ARG 54 1HG ARG 54 -6.472 -9.479 1.173 908 2HG ARG 54 2HG ARG 54 -8.067 -8.833 0.816 909 1HD ARG 54 1HD ARG 54 -8.658 -10.819 -0.411 910 2HD ARG 54 2HD ARG 54 -7.012 -11.453 -0.249 911 HE ARG 54 HE ARG 54 -7.472 -12.079 1.917 912 1HH1 ARG 54 1HH1 ARG 54 -10.151 -10.222 0.647 913 2HH1 ARG 54 2HH1 ARG 54 -11.182 -10.515 2.010 914 1HH2 ARG 54 1HH2 ARG 54 -8.819 -12.465 3.695 915 2HH2 ARG 54 2HH2 ARG 54 -10.423 -11.800 3.752 916 H LEU 55 H LEU 55 -3.984 -6.458 -0.690 917 HA LEU 55 HA LEU 55 -3.960 -5.679 -3.523 918 1HB LEU 55 1HB LEU 55 -3.417 -3.958 -1.811 919 2HB LEU 55 2HB LEU 55 -2.033 -4.925 -1.320 920 HG LEU 55 HG LEU 55 -1.072 -4.670 -3.578 921 1HD1 LEU 55 1HD1 LEU 55 -1.989 -2.932 -5.066 922 2HD1 LEU 55 2HD1 LEU 55 -3.381 -2.761 -3.999 923 3HD1 LEU 55 3HD1 LEU 55 -3.125 -4.274 -4.856 924 1HD2 LEU 55 1HD2 LEU 55 -0.376 -2.347 -3.324 925 2HD2 LEU 55 2HD2 LEU 55 -0.365 -3.183 -1.776 926 3HD2 LEU 55 3HD2 LEU 55 -1.678 -2.056 -2.165 927 H ARG 56 H ARG 56 -2.942 -7.032 -4.894 928 HA ARG 56 HA ARG 56 -1.017 -8.945 -3.726 929 1HB ARG 56 1HB ARG 56 -3.203 -9.987 -4.228 930 2HB ARG 56 2HB ARG 56 -3.054 -9.486 -5.919 931 1HG ARG 56 1HG ARG 56 -1.099 -10.914 -6.178 932 2HG ARG 56 2HG ARG 56 -1.177 -11.393 -4.481 933 1HD ARG 56 1HD ARG 56 -3.320 -11.916 -6.556 934 2HD ARG 56 2HD ARG 56 -2.157 -13.106 -5.963 935 HE ARG 56 HE ARG 56 -3.435 -12.103 -3.716 936 1HH1 ARG 56 1HH1 ARG 56 -4.384 -13.847 -6.612 937 2HH1 ARG 56 2HH1 ARG 56 -5.721 -14.636 -5.848 938 1HH2 ARG 56 1HH2 ARG 56 -5.157 -13.177 -2.714 939 2HH2 ARG 56 2HH2 ARG 56 -6.162 -14.259 -3.612 940 H LEU 57 H LEU 57 0.804 -9.338 -4.862 941 HA LEU 57 HA LEU 57 1.305 -7.644 -7.209 942 1HB LEU 57 1HB LEU 57 2.712 -7.187 -5.213 943 2HB LEU 57 2HB LEU 57 3.263 -8.857 -5.242 944 HG LEU 57 HG LEU 57 4.317 -8.414 -7.473 945 1HD1 LEU 57 1HD1 LEU 57 4.636 -6.093 -8.210 946 2HD1 LEU 57 2HD1 LEU 57 3.597 -5.541 -6.895 947 3HD1 LEU 57 3HD1 LEU 57 2.933 -6.538 -8.181 948 1HD2 LEU 57 1HD2 LEU 57 6.202 -7.118 -6.612 949 2HD2 LEU 57 2HD2 LEU 57 5.647 -8.310 -5.442 950 3HD2 LEU 57 3HD2 LEU 57 5.222 -6.615 -5.231 951 H THR 58 H THR 58 2.181 -8.556 -9.056 952 HA THR 58 HA THR 58 2.014 -11.436 -9.320 953 HB THR 58 HB THR 58 2.641 -11.052 -11.683 954 HG1 THR 58 HG1 THR 58 3.199 -8.493 -10.673 955 1HG2 THR 58 1HG2 THR 58 0.286 -10.842 -11.010 956 2HG2 THR 58 2HG2 THR 58 0.682 -9.749 -12.332 957 3HG2 THR 58 3HG2 THR 58 0.543 -9.121 -10.693 958 H SER 59 H SER 59 4.016 -12.295 -10.794 959 HA SER 59 HA SER 59 6.245 -12.210 -8.968 960 1HB SER 59 1HB SER 59 5.895 -13.779 -11.518 961 2HB SER 59 2HB SER 59 7.131 -14.064 -10.300 962 HG SER 59 HG SER 59 5.221 -14.305 -8.815 963 H GLN 60 H GLN 60 5.387 -10.621 -11.897 964 HA GLN 60 HA GLN 60 8.070 -9.509 -12.167 965 1HB GLN 60 1HB GLN 60 6.695 -11.088 -14.334 966 2HB GLN 60 2HB GLN 60 8.006 -9.965 -14.673 967 1HG GLN 60 1HG GLN 60 8.289 -12.289 -12.782 968 2HG GLN 60 2HG GLN 60 8.632 -12.397 -14.506 969 1HE2 GLN 60 2HE2 GLN 60 9.682 -11.095 -11.450 970 2HE2 GLN 60 1HE2 GLN 60 11.261 -10.617 -11.984 971 H ASN 61 H ASN 61 4.671 -9.376 -13.115 972 HA ASN 61 HA ASN 61 5.269 -7.141 -14.902 973 1HB ASN 61 1HB ASN 61 2.947 -7.434 -15.753 974 2HB ASN 61 2HB ASN 61 3.971 -8.845 -15.927 975 1HD2 ASN 61 2HD2 ASN 61 1.104 -7.568 -14.594 976 2HD2 ASN 61 1HD2 ASN 61 0.544 -9.027 -13.858 977 H LYS 62 H LYS 62 2.552 -7.647 -12.562 978 HA LYS 62 HA LYS 62 2.757 -4.820 -11.878 979 1HB LYS 62 1HB LYS 62 0.559 -4.195 -12.561 980 2HB LYS 62 2HB LYS 62 1.347 -4.921 -13.952 981 1HG LYS 62 1HG LYS 62 0.082 -6.979 -13.651 982 2HG LYS 62 2HG LYS 62 -0.642 -6.325 -12.164 983 1HD LYS 62 1HD LYS 62 -1.701 -4.535 -13.440 984 2HD LYS 62 2HD LYS 62 -1.001 -5.177 -14.937 985 1HE LYS 62 1HE LYS 62 -2.917 -6.643 -13.137 986 2HE LYS 62 2HE LYS 62 -3.359 -5.816 -14.621 987 1HZ LYS 62 1HZ LYS 62 -1.847 -7.350 -15.812 988 2HZ LYS 62 2HZ LYS 62 -3.127 -8.141 -15.046 989 3HZ LYS 62 3HZ LYS 62 -1.590 -8.181 -14.364 990 H LEU 63 H LEU 63 0.346 -4.461 -10.649 991 HA LEU 63 HA LEU 63 -0.128 -6.741 -8.886 992 1HB LEU 63 1HB LEU 63 -0.036 -5.483 -6.885 993 2HB LEU 63 2HB LEU 63 1.446 -5.142 -7.740 994 HG LEU 63 HG LEU 63 -0.950 -3.283 -7.546 995 1HD1 LEU 63 1HD1 LEU 63 1.767 -3.157 -6.246 996 2HD1 LEU 63 2HD1 LEU 63 0.224 -3.489 -5.449 997 3HD1 LEU 63 3HD1 LEU 63 0.514 -1.909 -6.168 998 1HD2 LEU 63 1HD2 LEU 63 0.153 -2.939 -9.649 999 2HD2 LEU 63 2HD2 LEU 63 1.731 -2.911 -8.871 1000 3HD2 LEU 63 3HD2 LEU 63 0.580 -1.621 -8.561 1001 H ILE 64 H ILE 64 -2.189 -6.390 -7.651 1002 HA ILE 64 HA ILE 64 -4.138 -4.734 -9.053 1003 HB ILE 64 HB ILE 64 -5.715 -6.759 -9.266 1004 1HG1 ILE 64 1HG1 ILE 64 -4.400 -8.898 -9.837 1005 2HG1 ILE 64 2HG1 ILE 64 -3.067 -8.184 -8.953 1006 1HG2 ILE 64 1HG2 ILE 64 -3.361 -6.513 -11.128 1007 2HG2 ILE 64 2HG2 ILE 64 -4.882 -5.599 -11.198 1008 3HG2 ILE 64 3HG2 ILE 64 -4.885 -7.327 -11.487 1009 1HD1 ILE 64 1HD1 ILE 64 -4.413 -8.118 -6.937 1010 2HD1 ILE 64 2HD1 ILE 64 -4.346 -9.754 -7.600 1011 3HD1 ILE 64 3HD1 ILE 64 -5.801 -8.775 -7.824 1012 H LEU 65 H LEU 65 -6.374 -5.037 -8.117 1013 HA LEU 65 HA LEU 65 -6.157 -5.266 -5.183 1014 1HB LEU 65 1HB LEU 65 -6.855 -3.069 -6.312 1015 2HB LEU 65 2HB LEU 65 -8.326 -3.884 -6.786 1016 HG LEU 65 HG LEU 65 -8.508 -2.380 -4.770 1017 1HD1 LEU 65 1HD1 LEU 65 -10.192 -4.079 -5.266 1018 2HD1 LEU 65 2HD1 LEU 65 -9.990 -3.816 -3.530 1019 3HD1 LEU 65 3HD1 LEU 65 -9.302 -5.246 -4.275 1020 1HD2 LEU 65 1HD2 LEU 65 -7.740 -3.241 -2.618 1021 2HD2 LEU 65 2HD2 LEU 65 -6.401 -2.910 -3.706 1022 3HD2 LEU 65 3HD2 LEU 65 -6.928 -4.574 -3.439 1023 H THR 66 H THR 66 -7.815 -6.384 -4.070 1024 HA THR 66 HA THR 66 -9.819 -7.896 -5.386 1025 HB THR 66 HB THR 66 -7.970 -9.251 -6.208 1026 HG1 THR 66 HG1 THR 66 -8.882 -11.033 -4.338 1027 1HG2 THR 66 1HG2 THR 66 -7.262 -9.694 -3.286 1028 2HG2 THR 66 2HG2 THR 66 -6.298 -8.807 -4.471 1029 3HG2 THR 66 3HG2 THR 66 -6.544 -10.544 -4.659 1030 H LYS 67 H LYS 67 -10.747 -9.577 -3.741 1031 HA LYS 67 HA LYS 67 -9.901 -9.411 -1.059 1032 1HB LYS 67 1HB LYS 67 -11.787 -8.308 -0.015 1033 2HB LYS 67 2HB LYS 67 -11.030 -7.209 -1.153 1034 1HG LYS 67 1HG LYS 67 -13.557 -8.777 -1.710 1035 2HG LYS 67 2HG LYS 67 -13.532 -7.121 -1.102 1036 1HD LYS 67 1HD LYS 67 -12.264 -6.472 -3.149 1037 2HD LYS 67 2HD LYS 67 -12.456 -8.106 -3.756 1038 1HE LYS 67 1HE LYS 67 -14.898 -7.844 -3.716 1039 2HE LYS 67 2HE LYS 67 -14.715 -6.210 -3.060 1040 1HZ LYS 67 1HZ LYS 67 -15.085 -6.037 -5.378 1041 2HZ LYS 67 2HZ LYS 67 -13.905 -7.184 -5.734 1042 3HZ LYS 67 3HZ LYS 67 -13.457 -5.677 -5.124 Start of MODEL 20 1 1H MET 1 1H MET 1 -17.168 41.163 32.356 2 2H MET 1 2H MET 1 -18.306 41.825 33.409 3 3H MET 1 3H MET 1 -16.992 42.755 32.886 4 HA MET 1 HA MET 1 -19.183 41.707 31.191 5 1HB MET 1 1HB MET 1 -18.508 44.560 32.054 6 2HB MET 1 2HB MET 1 -19.786 44.105 30.920 7 1HG MET 1 1HG MET 1 -20.982 42.943 32.659 8 2HG MET 1 2HG MET 1 -19.670 43.241 33.809 9 1HE MET 1 1HE MET 1 -22.415 46.531 32.076 10 2HE MET 1 2HE MET 1 -22.561 44.820 31.701 11 3HE MET 1 3HE MET 1 -21.175 45.727 31.114 12 H MET 2 H MET 2 -18.326 41.184 29.265 13 HA MET 2 HA MET 2 -16.577 43.107 27.934 14 1HB MET 2 1HB MET 2 -15.043 41.472 28.981 15 2HB MET 2 2HB MET 2 -15.892 40.169 28.186 16 1HG MET 2 1HG MET 2 -15.219 41.034 26.011 17 2HG MET 2 2HG MET 2 -14.358 42.360 26.815 18 1HE MET 2 1HE MET 2 -12.126 41.783 25.553 19 2HE MET 2 2HE MET 2 -12.940 40.468 24.687 20 3HE MET 2 3HE MET 2 -11.413 40.166 25.504 21 H THR 3 H THR 3 -17.755 43.620 26.249 22 HA THR 3 HA THR 3 -19.737 41.982 25.099 23 HB THR 3 HB THR 3 -19.684 43.688 23.235 24 HG1 THR 3 HG1 THR 3 -17.399 44.190 23.529 25 1HG2 THR 3 1HG2 THR 3 -21.129 43.993 25.195 26 2HG2 THR 3 2HG2 THR 3 -20.509 45.534 24.596 27 3HG2 THR 3 3HG2 THR 3 -19.809 44.801 26.040 28 H ALA 4 H ALA 4 -19.109 40.056 24.279 29 HA ALA 4 HA ALA 4 -16.625 39.699 22.837 30 1HB ALA 4 1HB ALA 4 -17.570 37.917 24.204 31 2HB ALA 4 2HB ALA 4 -17.391 37.391 22.529 32 3HB ALA 4 3HB ALA 4 -18.979 37.823 23.153 33 H SER 5 H SER 5 -16.483 40.732 20.931 34 HA SER 5 HA SER 5 -18.677 40.422 18.985 35 1HB SER 5 1HB SER 5 -16.458 42.495 18.937 36 2HB SER 5 2HB SER 5 -17.914 42.455 17.938 37 HG SER 5 HG SER 5 -18.532 42.353 20.583 38 H ASP 6 H ASP 6 -15.124 40.438 19.270 39 HA ASP 6 HA ASP 6 -14.731 39.306 16.677 40 1HB ASP 6 1HB ASP 6 -12.374 39.062 17.312 41 2HB ASP 6 2HB ASP 6 -12.981 40.656 17.750 42 H ARG 7 H ARG 7 -13.037 37.202 16.919 43 HA ARG 7 HA ARG 7 -14.393 35.148 18.483 44 1HB ARG 7 1HB ARG 7 -14.922 33.752 16.561 45 2HB ARG 7 2HB ARG 7 -15.713 35.321 16.374 46 1HG ARG 7 1HG ARG 7 -14.064 36.030 14.790 47 2HG ARG 7 2HG ARG 7 -13.081 34.602 15.070 48 1HD ARG 7 1HD ARG 7 -14.937 33.204 14.203 49 2HD ARG 7 2HD ARG 7 -15.827 34.673 13.806 50 HE ARG 7 HE ARG 7 -13.348 34.937 12.614 51 1HH1 ARG 7 1HH1 ARG 7 -16.019 32.687 12.394 52 2HH1 ARG 7 2HH1 ARG 7 -15.721 32.317 10.729 53 1HH2 ARG 7 1HH2 ARG 7 -12.994 34.472 10.405 54 2HH2 ARG 7 2HH2 ARG 7 -14.024 33.321 9.595 55 H LEU 8 H LEU 8 -13.397 32.957 18.017 56 HA LEU 8 HA LEU 8 -10.608 33.079 17.105 57 1HB LEU 8 1HB LEU 8 -10.566 33.086 19.555 58 2HB LEU 8 2HB LEU 8 -11.628 31.697 19.601 59 HG LEU 8 HG LEU 8 -9.847 30.325 18.557 60 1HD1 LEU 8 1HD1 LEU 8 -7.575 31.217 18.388 61 2HD1 LEU 8 2HD1 LEU 8 -8.152 32.812 18.833 62 3HD1 LEU 8 3HD1 LEU 8 -8.672 32.076 17.319 63 1HD2 LEU 8 1HD2 LEU 8 -10.098 30.422 21.006 64 2HD2 LEU 8 2HD2 LEU 8 -8.958 31.763 21.065 65 3HD2 LEU 8 3HD2 LEU 8 -8.419 30.182 20.525 66 H GLY 9 H GLY 9 -11.152 32.123 15.145 67 1HA GLY 9 1HA GLY 9 -11.466 29.279 15.163 68 2HA GLY 9 2HA GLY 9 -12.918 30.108 14.628 69 H ALA 10 H ALA 10 -9.521 30.917 14.079 70 HA ALA 10 HA ALA 10 -10.007 31.191 11.232 71 1HB ALA 10 1HB ALA 10 -7.466 31.615 12.836 72 2HB ALA 10 2HB ALA 10 -8.635 32.859 12.380 73 3HB ALA 10 3HB ALA 10 -7.708 32.042 11.131 74 H ASP 11 H ASP 11 -10.516 28.672 11.676 75 HA ASP 11 HA ASP 11 -8.249 26.932 11.826 76 1HB ASP 11 1HB ASP 11 -10.413 26.230 12.737 77 2HB ASP 11 2HB ASP 11 -11.142 26.323 11.133 78 HA PRO 12 HA PRO 12 -7.376 26.925 7.427 79 1HB PRO 12 1HB PRO 12 -5.490 24.778 8.086 80 2HB PRO 12 2HB PRO 12 -5.139 26.369 7.409 81 1HG PRO 12 1HG PRO 12 -4.462 25.706 9.936 82 2HG PRO 12 2HG PRO 12 -4.926 27.355 9.484 83 1HD PRO 12 1HD PRO 12 -6.550 25.236 10.840 84 2HD PRO 12 2HD PRO 12 -6.459 26.976 11.186 85 H THR 13 H THR 13 -9.240 26.030 6.661 86 HA THR 13 HA THR 13 -10.105 23.385 7.242 87 HB THR 13 HB THR 13 -11.634 25.192 6.490 88 HG1 THR 13 HG1 THR 13 -12.723 23.417 6.161 89 1HG2 THR 13 1HG2 THR 13 -11.804 25.710 4.092 90 2HG2 THR 13 2HG2 THR 13 -10.359 24.743 3.779 91 3HG2 THR 13 3HG2 THR 13 -10.252 26.210 4.756 92 H GLN 14 H GLN 14 -10.478 21.728 5.481 93 HA GLN 14 HA GLN 14 -7.933 21.117 4.304 94 1HB GLN 14 1HB GLN 14 -10.534 19.572 4.312 95 2HB GLN 14 2HB GLN 14 -9.017 18.955 3.658 96 1HG GLN 14 1HG GLN 14 -9.486 19.743 6.531 97 2HG GLN 14 2HG GLN 14 -9.500 18.102 5.919 98 1HE2 GLN 14 2HE2 GLN 14 -7.793 19.324 7.943 99 2HE2 GLN 14 1HE2 GLN 14 -6.167 19.110 7.409 100 H ALA 15 H ALA 15 -7.619 22.540 2.626 101 HA ALA 15 HA ALA 15 -9.555 22.745 0.454 102 1HB ALA 15 1HB ALA 15 -7.908 24.260 -0.550 103 2HB ALA 15 2HB ALA 15 -6.767 23.871 0.728 104 3HB ALA 15 3HB ALA 15 -8.256 24.720 1.114 105 H ALA 16 H ALA 16 -6.743 21.004 1.319 106 HA ALA 16 HA ALA 16 -7.053 19.077 -0.735 107 1HB ALA 16 1HB ALA 16 -5.928 20.748 -2.098 108 2HB ALA 16 2HB ALA 16 -4.861 19.364 -1.830 109 3HB ALA 16 3HB ALA 16 -4.625 20.860 -0.921 110 H SER 17 H SER 17 -6.958 17.473 0.720 111 HA SER 17 HA SER 17 -5.129 17.578 2.957 112 1HB SER 17 1HB SER 17 -6.952 15.315 2.075 113 2HB SER 17 2HB SER 17 -6.164 15.469 3.655 114 HG SER 17 HG SER 17 -7.366 17.616 3.641 115 H SER 18 H SER 18 -3.376 17.735 1.136 116 HA SER 18 HA SER 18 -1.938 15.223 1.261 117 1HB SER 18 1HB SER 18 -2.449 16.594 -1.401 118 2HB SER 18 2HB SER 18 -1.335 15.246 -1.149 119 HG SER 18 HG SER 18 -3.706 14.567 -0.151 120 HA PRO 19 HA PRO 19 0.695 18.959 1.974 121 1HB PRO 19 1HB PRO 19 1.796 18.088 4.291 122 2HB PRO 19 2HB PRO 19 0.229 18.903 4.259 123 1HG PRO 19 1HG PRO 19 0.846 15.985 4.453 124 2HG PRO 19 2HG PRO 19 -0.383 16.941 5.303 125 1HD PRO 19 1HD PRO 19 -0.924 15.364 3.144 126 2HD PRO 19 2HD PRO 19 -1.856 16.813 3.572 127 H GLY 20 H GLY 20 1.207 15.548 1.738 128 1HA GLY 20 1HA GLY 20 2.858 14.359 0.724 129 2HA GLY 20 2HA GLY 20 3.487 15.878 0.129 130 H GLY 21 H GLY 21 3.106 15.110 3.534 131 1HA GLY 21 1HA GLY 21 5.929 15.471 4.008 132 2HA GLY 21 2HA GLY 21 4.718 15.117 5.223 133 H ALA 22 H ALA 22 7.040 13.706 5.551 134 HA ALA 22 HA ALA 22 6.595 11.148 4.132 135 1HB ALA 22 1HB ALA 22 9.127 12.268 5.365 136 2HB ALA 22 2HB ALA 22 8.786 12.137 3.641 137 3HB ALA 22 3HB ALA 22 8.976 10.675 4.626 138 H ARG 23 H ARG 23 6.161 9.393 5.370 139 HA ARG 23 HA ARG 23 6.368 9.618 8.281 140 1HB ARG 23 1HB ARG 23 4.028 8.974 8.636 141 2HB ARG 23 2HB ARG 23 4.149 10.517 7.801 142 1HG ARG 23 1HG ARG 23 3.700 7.940 6.293 143 2HG ARG 23 2HG ARG 23 2.368 8.816 7.041 144 1HD ARG 23 1HD ARG 23 3.173 10.851 5.751 145 2HD ARG 23 2HD ARG 23 4.211 9.754 4.834 146 HE ARG 23 HE ARG 23 1.590 8.770 4.813 147 1HH1 ARG 23 1HH1 ARG 23 3.443 11.452 3.511 148 2HH1 ARG 23 2HH1 ARG 23 2.455 11.645 2.111 149 1HH2 ARG 23 1HH2 ARG 23 0.230 9.053 2.974 150 2HH2 ARG 23 2HH2 ARG 23 0.615 10.302 1.807 151 H ALA 24 H ALA 24 6.046 7.592 9.394 152 HA ALA 24 HA ALA 24 6.855 5.307 7.683 153 1HB ALA 24 1HB ALA 24 7.271 5.692 10.671 154 2HB ALA 24 2HB ALA 24 8.491 5.916 9.416 155 3HB ALA 24 3HB ALA 24 7.806 4.318 9.706 156 H VAL 25 H VAL 25 5.509 3.638 7.488 157 HA VAL 25 HA VAL 25 3.207 3.425 9.317 158 HB VAL 25 HB VAL 25 1.925 2.461 7.403 159 1HG1 VAL 25 1HG1 VAL 25 1.682 4.823 7.986 160 2HG1 VAL 25 2HG1 VAL 25 1.514 4.565 6.259 161 3HG1 VAL 25 3HG1 VAL 25 3.013 5.239 6.899 162 1HG2 VAL 25 1HG2 VAL 25 3.780 1.681 6.037 163 2HG2 VAL 25 2HG2 VAL 25 4.340 3.334 5.787 164 3HG2 VAL 25 3HG2 VAL 25 2.796 2.815 5.112 165 H SER 26 H SER 26 2.677 1.419 10.078 166 HA SER 26 HA SER 26 4.790 -0.570 9.769 167 1HB SER 26 1HB SER 26 3.756 -1.602 11.817 168 2HB SER 26 2HB SER 26 4.306 0.060 12.066 169 HG SER 26 HG SER 26 1.719 -0.066 11.185 170 H ILE 27 H ILE 27 4.332 -2.752 9.524 171 HA ILE 27 HA ILE 27 1.762 -3.440 8.271 172 HB ILE 27 HB ILE 27 4.463 -4.624 7.600 173 1HG1 ILE 27 1HG1 ILE 27 4.199 -2.288 6.758 174 2HG1 ILE 27 2HG1 ILE 27 4.311 -3.472 5.461 175 1HG2 ILE 27 1HG2 ILE 27 1.753 -5.117 6.358 176 2HG2 ILE 27 2HG2 ILE 27 2.675 -6.245 7.362 177 3HG2 ILE 27 3HG2 ILE 27 3.281 -5.770 5.769 178 1HD1 ILE 27 1HD1 ILE 27 2.652 -1.793 4.979 179 2HD1 ILE 27 2HD1 ILE 27 1.789 -2.171 6.464 180 3HD1 ILE 27 3HD1 ILE 27 1.888 -3.361 5.167 181 H VAL 28 H VAL 28 0.690 -4.989 9.412 182 HA VAL 28 HA VAL 28 2.227 -6.403 11.495 183 HB VAL 28 HB VAL 28 -0.043 -6.713 12.630 184 1HG1 VAL 28 1HG1 VAL 28 1.579 -5.116 13.462 185 2HG1 VAL 28 2HG1 VAL 28 -0.036 -4.409 13.577 186 3HG1 VAL 28 3HG1 VAL 28 1.061 -3.910 12.289 187 1HG2 VAL 28 1HG2 VAL 28 -1.830 -5.141 12.035 188 2HG2 VAL 28 2HG2 VAL 28 -1.463 -6.189 10.680 189 3HG2 VAL 28 3HG2 VAL 28 -0.866 -4.521 10.688 190 H GLY 29 H GLY 29 2.821 -8.246 10.592 191 1HA GLY 29 1HA GLY 29 2.541 -10.453 9.899 192 2HA GLY 29 2HA GLY 29 0.790 -10.204 9.852 193 H ASN 30 H ASN 30 0.003 -8.792 8.119 194 HA ASN 30 HA ASN 30 1.707 -8.002 5.982 195 1HB ASN 30 1HB ASN 30 0.833 -9.323 4.195 196 2HB ASN 30 2HB ASN 30 1.324 -10.441 5.454 197 1HD2 ASN 30 2HD2 ASN 30 -0.638 -10.660 3.238 198 2HD2 ASN 30 1HD2 ASN 30 -2.116 -11.148 3.996 199 H GLN 31 H GLN 31 -0.375 -7.087 7.948 200 HA GLN 31 HA GLN 31 -2.406 -6.095 6.055 201 1HB GLN 31 1HB GLN 31 -3.328 -7.597 7.766 202 2HB GLN 31 2HB GLN 31 -2.651 -6.591 9.042 203 1HG GLN 31 1HG GLN 31 -4.106 -4.754 8.422 204 2HG GLN 31 2HG GLN 31 -4.726 -5.659 7.043 205 1HE2 GLN 31 2HE2 GLN 31 -6.123 -4.520 9.370 206 2HE2 GLN 31 1HE2 GLN 31 -6.998 -5.848 10.057 207 H ILE 32 H ILE 32 -3.169 -4.007 6.355 208 HA ILE 32 HA ILE 32 -1.820 -2.122 7.987 209 HB ILE 32 HB ILE 32 -0.136 -2.181 6.201 210 1HG1 ILE 32 1HG1 ILE 32 -1.783 0.363 6.103 211 2HG1 ILE 32 2HG1 ILE 32 -0.591 -0.044 7.331 212 1HG2 ILE 32 1HG2 ILE 32 -1.604 -2.940 4.369 213 2HG2 ILE 32 2HG2 ILE 32 -0.609 -1.563 3.913 214 3HG2 ILE 32 3HG2 ILE 32 -2.320 -1.326 4.301 215 1HD1 ILE 32 1HD1 ILE 32 0.361 1.508 5.764 216 2HD1 ILE 32 2HD1 ILE 32 -0.062 0.452 4.411 217 3HD1 ILE 32 3HD1 ILE 32 1.154 -0.056 5.583 218 H ASP 33 H ASP 33 -3.020 -0.190 8.135 219 HA ASP 33 HA ASP 33 -5.691 -0.438 6.930 220 1HB ASP 33 1HB ASP 33 -5.321 -0.167 9.470 221 2HB ASP 33 2HB ASP 33 -4.935 1.517 9.107 222 H SER 34 H SER 34 -6.698 1.314 5.968 223 HA SER 34 HA SER 34 -5.047 2.785 4.178 224 1HB SER 34 1HB SER 34 -7.233 3.834 3.483 225 2HB SER 34 2HB SER 34 -7.244 2.081 3.487 226 HG SER 34 HG SER 34 -8.040 2.592 5.858 227 H ARG 35 H ARG 35 -6.246 3.424 7.327 228 HA ARG 35 HA ARG 35 -6.403 6.245 7.295 229 1HB ARG 35 1HB ARG 35 -5.807 4.337 9.536 230 2HB ARG 35 2HB ARG 35 -6.079 6.054 9.771 231 1HG ARG 35 1HG ARG 35 -8.299 5.684 8.557 232 2HG ARG 35 2HG ARG 35 -8.024 3.966 8.843 233 1HD ARG 35 1HD ARG 35 -8.174 6.133 10.913 234 2HD ARG 35 2HD ARG 35 -9.398 4.903 10.615 235 HE ARG 35 HE ARG 35 -6.885 4.592 12.058 236 1HH1 ARG 35 1HH1 ARG 35 -9.582 2.969 10.518 237 2HH1 ARG 35 2HH1 ARG 35 -9.292 1.451 11.311 238 1HH2 ARG 35 1HH2 ARG 35 -6.520 2.625 13.108 239 2HH2 ARG 35 2HH2 ARG 35 -7.549 1.257 12.798 240 H GLU 36 H GLU 36 -3.800 3.999 8.056 241 HA GLU 36 HA GLU 36 -1.917 5.805 9.039 242 1HB GLU 36 1HB GLU 36 -1.372 3.264 7.496 243 2HB GLU 36 2HB GLU 36 -0.270 4.066 8.610 244 1HG GLU 36 1HG GLU 36 -2.925 2.807 9.330 245 2HG GLU 36 2HG GLU 36 -1.328 2.091 9.624 246 H LEU 37 H LEU 37 -2.506 4.681 5.749 247 HA LEU 37 HA LEU 37 -0.300 6.092 4.606 248 1HB LEU 37 1HB LEU 37 -2.696 4.818 3.294 249 2HB LEU 37 2HB LEU 37 -1.285 5.424 2.447 250 HG LEU 37 HG LEU 37 -1.223 3.166 4.480 251 1HD1 LEU 37 1HD1 LEU 37 -0.922 1.680 2.546 252 2HD1 LEU 37 2HD1 LEU 37 -1.154 3.053 1.472 253 3HD1 LEU 37 3HD1 LEU 37 -2.477 2.510 2.494 254 1HD2 LEU 37 1HD2 LEU 37 1.036 2.771 3.601 255 2HD2 LEU 37 2HD2 LEU 37 0.881 4.368 4.323 256 3HD2 LEU 37 3HD2 LEU 37 0.888 4.195 2.574 257 H PHE 38 H PHE 38 -3.803 6.651 4.762 258 HA PHE 38 HA PHE 38 -3.456 9.116 3.219 259 1HB PHE 38 1HB PHE 38 -5.974 7.513 3.745 260 2HB PHE 38 2HB PHE 38 -5.853 8.909 2.684 261 HD1 PHE 38 HD2 PHE 38 -4.238 8.699 0.659 262 HD2 PHE 38 HD1 PHE 38 -5.655 5.358 2.900 263 HE1 PHE 38 HE2 PHE 38 -3.689 7.210 -1.209 264 HE2 PHE 38 HE1 PHE 38 -5.112 3.873 1.029 265 HZ PHE 38 HZ PHE 38 -4.131 4.783 -1.044 266 H THR 39 H THR 39 -3.261 8.598 6.309 267 HA THR 39 HA THR 39 -5.332 9.956 7.582 268 HB THR 39 HB THR 39 -3.718 8.788 8.943 269 HG1 THR 39 HG1 THR 39 -3.345 10.378 10.493 270 1HG2 THR 39 1HG2 THR 39 -1.660 10.777 7.973 271 2HG2 THR 39 2HG2 THR 39 -1.748 9.080 7.503 272 3HG2 THR 39 3HG2 THR 39 -1.401 9.520 9.179 273 H VAL 40 H VAL 40 -2.362 11.199 6.117 274 HA VAL 40 HA VAL 40 -3.640 13.828 5.857 275 HB VAL 40 HB VAL 40 -1.384 14.903 6.242 276 1HG1 VAL 40 1HG1 VAL 40 -2.548 13.409 8.600 277 2HG1 VAL 40 2HG1 VAL 40 -3.134 14.952 7.958 278 3HG1 VAL 40 3HG1 VAL 40 -1.528 14.844 8.680 279 1HG2 VAL 40 1HG2 VAL 40 0.319 13.638 7.511 280 2HG2 VAL 40 2HG2 VAL 40 0.041 12.930 5.917 281 3HG2 VAL 40 3HG2 VAL 40 -0.665 12.171 7.350 282 H ASP 41 H ASP 41 -4.070 12.645 3.784 283 HA ASP 41 HA ASP 41 -2.613 13.410 1.627 284 1HB ASP 41 1HB ASP 41 -0.939 11.705 2.852 285 2HB ASP 41 2HB ASP 41 -1.913 10.526 1.994 286 H ARG 42 H ARG 42 -3.352 12.106 -0.359 287 HA ARG 42 HA ARG 42 -5.604 10.338 0.273 288 1HB ARG 42 1HB ARG 42 -6.486 12.643 -0.073 289 2HB ARG 42 2HB ARG 42 -5.828 12.641 -1.691 290 1HG ARG 42 1HG ARG 42 -7.306 10.979 -2.434 291 2HG ARG 42 2HG ARG 42 -7.786 10.561 -0.782 292 1HD ARG 42 1HD ARG 42 -8.318 13.227 -2.152 293 2HD ARG 42 2HD ARG 42 -9.485 11.908 -1.999 294 HE ARG 42 HE ARG 42 -8.379 12.749 0.517 295 1HH1 ARG 42 1HH1 ARG 42 -10.926 13.295 -1.848 296 2HH1 ARG 42 2HH1 ARG 42 -12.014 13.990 -0.701 297 1HH2 ARG 42 1HH2 ARG 42 -9.833 13.671 2.037 298 2HH2 ARG 42 2HH2 ARG 42 -11.402 14.218 1.500 299 H GLU 43 H GLU 43 -2.765 10.767 -1.385 300 HA GLU 43 HA GLU 43 -3.393 8.445 -3.050 301 1HB GLU 43 1HB GLU 43 -3.755 10.288 -4.579 302 2HB GLU 43 2HB GLU 43 -2.202 11.004 -4.156 303 1HG GLU 43 1HG GLU 43 -1.030 9.108 -5.130 304 2HG GLU 43 2HG GLU 43 -2.586 8.353 -5.516 305 H ILE 44 H ILE 44 -1.802 7.039 -3.172 306 HA ILE 44 HA ILE 44 0.871 7.755 -2.138 307 HB ILE 44 HB ILE 44 -0.639 5.133 -1.788 308 1HG1 ILE 44 1HG1 ILE 44 -1.402 6.920 -0.258 309 2HG1 ILE 44 2HG1 ILE 44 -0.568 5.623 0.610 310 1HG2 ILE 44 1HG2 ILE 44 1.302 4.364 -0.506 311 2HG2 ILE 44 2HG2 ILE 44 2.160 5.855 -0.882 312 3HG2 ILE 44 3HG2 ILE 44 1.725 4.730 -2.169 313 1HD1 ILE 44 1HD1 ILE 44 1.437 6.999 0.753 314 2HD1 ILE 44 2HD1 ILE 44 0.045 7.811 1.452 315 3HD1 ILE 44 3HD1 ILE 44 0.623 8.283 -0.150 316 H VAL 45 H VAL 45 2.604 7.088 -3.427 317 HA VAL 45 HA VAL 45 1.836 5.838 -5.981 318 HB VAL 45 HB VAL 45 4.363 7.360 -5.300 319 1HG1 VAL 45 1HG1 VAL 45 4.717 7.388 -7.760 320 2HG1 VAL 45 2HG1 VAL 45 3.328 6.305 -7.951 321 3HG1 VAL 45 3HG1 VAL 45 4.771 5.752 -7.086 322 1HG2 VAL 45 1HG2 VAL 45 1.946 8.261 -6.879 323 2HG2 VAL 45 2HG2 VAL 45 3.439 9.176 -6.684 324 3HG2 VAL 45 3HG2 VAL 45 2.420 8.851 -5.270 325 H ILE 46 H ILE 46 2.028 3.736 -5.849 326 HA ILE 46 HA ILE 46 4.257 2.476 -4.453 327 HB ILE 46 HB ILE 46 2.042 1.157 -6.041 328 1HG1 ILE 46 1HG1 ILE 46 2.275 1.667 -3.051 329 2HG1 ILE 46 2HG1 ILE 46 1.167 2.494 -4.170 330 1HG2 ILE 46 1HG2 ILE 46 2.675 -0.865 -4.804 331 2HG2 ILE 46 2HG2 ILE 46 3.983 0.023 -4.023 332 3HG2 ILE 46 3HG2 ILE 46 4.031 -0.265 -5.756 333 1HD1 ILE 46 1HD1 ILE 46 1.124 -0.437 -3.470 334 2HD1 ILE 46 2HD1 ILE 46 0.030 0.374 -4.595 335 3HD1 ILE 46 3HD1 ILE 46 0.018 0.806 -2.900 336 H ALA 47 H ALA 47 6.167 2.541 -5.487 337 HA ALA 47 HA ALA 47 6.287 2.326 -8.383 338 1HB ALA 47 1HB ALA 47 8.486 2.686 -6.351 339 2HB ALA 47 2HB ALA 47 7.685 3.972 -7.244 340 3HB ALA 47 3HB ALA 47 8.681 2.783 -8.098 341 H HIS 48 H HIS 48 7.143 0.608 -9.514 342 HA HIS 48 HA HIS 48 8.272 -1.660 -8.061 343 1HB HIS 48 1HB HIS 48 5.912 -2.221 -8.067 344 2HB HIS 48 2HB HIS 48 5.773 -1.870 -9.782 345 HD1 HIS 48 HD1 HIS 48 7.462 -4.362 -7.464 346 HD2 HIS 48 HD2 HIS 48 6.191 -4.012 -11.401 347 HE1 HIS 48 HE1 HIS 48 7.819 -6.638 -8.496 348 HE2 HIS 48 HE2 HIS 48 7.229 -6.326 -10.923 349 H GLY 49 H GLY 49 10.263 -1.422 -9.151 350 1HA GLY 49 1HA GLY 49 11.630 -2.230 -10.843 351 2HA GLY 49 2HA GLY 49 10.210 -2.444 -11.872 352 H ASP 50 H ASP 50 9.837 -0.952 -13.355 353 HA ASP 50 HA ASP 50 11.151 1.675 -13.155 354 1HB ASP 50 1HB ASP 50 10.380 0.075 -15.614 355 2HB ASP 50 2HB ASP 50 10.957 1.741 -15.673 356 H ASP 51 H ASP 51 8.203 -0.044 -13.273 357 HA ASP 51 HA ASP 51 6.633 2.176 -14.272 358 1HB ASP 51 1HB ASP 51 5.899 -0.572 -13.237 359 2HB ASP 51 2HB ASP 51 4.695 0.592 -13.801 360 H ARG 52 H ARG 52 4.852 3.031 -13.049 361 HA ARG 52 HA ARG 52 5.221 2.962 -10.141 362 1HB ARG 52 1HB ARG 52 5.372 5.374 -11.910 363 2HB ARG 52 2HB ARG 52 4.734 5.528 -10.279 364 1HG ARG 52 1HG ARG 52 6.800 4.621 -9.348 365 2HG ARG 52 2HG ARG 52 7.453 4.452 -10.988 366 1HD ARG 52 1HD ARG 52 6.509 7.098 -9.926 367 2HD ARG 52 2HD ARG 52 8.129 6.505 -9.590 368 HE ARG 52 HE ARG 52 7.865 6.283 -12.313 369 1HH1 ARG 52 1HH1 ARG 52 7.557 8.925 -10.025 370 2HH1 ARG 52 2HH1 ARG 52 8.194 10.111 -11.110 371 1HH2 ARG 52 1HH2 ARG 52 8.729 7.860 -13.733 372 2HH2 ARG 52 2HH2 ARG 52 8.892 9.509 -13.208 373 H TYR 53 H TYR 53 3.425 2.821 -9.047 374 HA TYR 53 HA TYR 53 0.872 2.910 -10.505 375 1HB TYR 53 1HB TYR 53 1.582 1.361 -8.000 376 2HB TYR 53 2HB TYR 53 0.066 1.279 -8.901 377 HD1 TYR 53 HD2 TYR 53 3.742 0.812 -9.564 378 HD2 TYR 53 HD1 TYR 53 -0.233 -0.527 -10.272 379 HE1 TYR 53 HE2 TYR 53 4.629 -1.035 -10.909 380 HE2 TYR 53 HE1 TYR 53 0.643 -2.377 -11.640 381 HH TYR 53 HH TYR 53 2.765 -2.826 -12.991 382 H ARG 54 H ARG 54 -0.999 3.559 -9.164 383 HA ARG 54 HA ARG 54 -0.273 5.440 -7.012 384 1HB ARG 54 1HB ARG 54 -2.224 5.952 -9.262 385 2HB ARG 54 2HB ARG 54 -2.038 6.968 -7.863 386 1HG ARG 54 1HG ARG 54 0.295 7.450 -8.528 387 2HG ARG 54 2HG ARG 54 0.053 6.452 -9.970 388 1HD ARG 54 1HD ARG 54 -1.733 7.922 -10.719 389 2HD ARG 54 2HD ARG 54 -1.569 8.898 -9.260 390 HE ARG 54 HE ARG 54 0.543 8.658 -11.303 391 1HH1 ARG 54 1HH1 ARG 54 -1.229 10.534 -8.940 392 2HH1 ARG 54 2HH1 ARG 54 -0.456 12.022 -9.357 393 1HH2 ARG 54 1HH2 ARG 54 1.606 10.594 -11.833 394 2HH2 ARG 54 2HH2 ARG 54 1.203 12.054 -10.992 395 H LEU 55 H LEU 55 -1.119 4.559 -5.232 396 HA LEU 55 HA LEU 55 -3.715 3.271 -5.247 397 1HB LEU 55 1HB LEU 55 -1.842 2.389 -3.863 398 2HB LEU 55 2HB LEU 55 -1.805 3.891 -2.976 399 HG LEU 55 HG LEU 55 -4.166 3.398 -2.223 400 1HD1 LEU 55 1HD1 LEU 55 -4.772 1.824 -3.994 401 2HD1 LEU 55 2HD1 LEU 55 -4.961 1.107 -2.404 402 3HD1 LEU 55 3HD1 LEU 55 -3.580 0.676 -3.400 403 1HD2 LEU 55 1HD2 LEU 55 -2.048 1.360 -1.475 404 2HD2 LEU 55 2HD2 LEU 55 -3.487 1.768 -0.531 405 3HD2 LEU 55 3HD2 LEU 55 -2.222 2.970 -0.766 406 H ARG 56 H ARG 56 -5.426 4.621 -5.286 407 HA ARG 56 HA ARG 56 -5.133 7.278 -3.999 408 1HB ARG 56 1HB ARG 56 -5.228 7.405 -6.437 409 2HB ARG 56 2HB ARG 56 -6.775 6.569 -6.451 410 1HG ARG 56 1HG ARG 56 -7.833 8.378 -5.258 411 2HG ARG 56 2HG ARG 56 -6.277 9.201 -5.068 412 1HD ARG 56 1HD ARG 56 -7.624 8.606 -7.725 413 2HD ARG 56 2HD ARG 56 -7.696 10.141 -6.874 414 HE ARG 56 HE ARG 56 -5.019 9.255 -7.388 415 1HH1 ARG 56 1HH1 ARG 56 -7.755 10.973 -8.705 416 2HH1 ARG 56 2HH1 ARG 56 -6.800 11.916 -9.812 417 1HH2 ARG 56 1HH2 ARG 56 -3.740 10.511 -8.805 418 2HH2 ARG 56 2HH2 ARG 56 -4.501 11.648 -9.866 419 H LEU 57 H LEU 57 -6.716 7.959 -2.666 420 HA LEU 57 HA LEU 57 -8.788 5.983 -1.948 421 1HB LEU 57 1HB LEU 57 -7.221 6.634 -0.157 422 2HB LEU 57 2HB LEU 57 -7.658 8.324 -0.359 423 HG LEU 57 HG LEU 57 -10.052 7.642 0.269 424 1HD1 LEU 57 1HD1 LEU 57 -8.621 5.153 1.150 425 2HD1 LEU 57 2HD1 LEU 57 -9.869 5.242 -0.083 426 3HD1 LEU 57 3HD1 LEU 57 -10.259 5.586 1.604 427 1HD2 LEU 57 1HD2 LEU 57 -9.554 7.657 2.656 428 2HD2 LEU 57 2HD2 LEU 57 -8.580 8.855 1.798 429 3HD2 LEU 57 3HD2 LEU 57 -7.859 7.328 2.326 430 H THR 58 H THR 58 -10.875 6.467 -2.201 431 HA THR 58 HA THR 58 -11.630 9.058 -3.287 432 HB THR 58 HB THR 58 -13.862 8.028 -3.633 433 HG1 THR 58 HG1 THR 58 -12.776 6.167 -1.932 434 1HG2 THR 58 1HG2 THR 58 -11.584 6.305 -4.607 435 2HG2 THR 58 2HG2 THR 58 -12.191 7.772 -5.390 436 3HG2 THR 58 3HG2 THR 58 -13.212 6.337 -5.280 437 H SER 59 H SER 59 -13.599 10.123 -2.361 438 HA SER 59 HA SER 59 -13.230 10.762 0.316 439 1HB SER 59 1HB SER 59 -15.791 11.140 -1.254 440 2HB SER 59 2HB SER 59 -15.192 12.125 0.084 441 HG SER 59 HG SER 59 -14.091 13.237 -1.313 442 H GLN 60 H GLN 60 -13.221 8.863 1.582 443 HA GLN 60 HA GLN 60 -14.163 7.604 3.234 444 1HB GLN 60 1HB GLN 60 -15.861 9.268 3.532 445 2HB GLN 60 2HB GLN 60 -16.763 8.666 2.135 446 1HG GLN 60 1HG GLN 60 -17.069 6.512 3.396 447 2HG GLN 60 2HG GLN 60 -16.371 7.315 4.797 448 1HE2 GLN 60 2HE2 GLN 60 -18.247 7.148 6.008 449 2HE2 GLN 60 1HE2 GLN 60 -19.659 8.092 5.686 450 H ASN 61 H ASN 61 -15.617 7.294 0.052 451 HA ASN 61 HA ASN 61 -17.031 4.931 0.388 452 1HB ASN 61 1HB ASN 61 -17.225 6.422 -1.574 453 2HB ASN 61 2HB ASN 61 -15.665 5.852 -2.152 454 1HD2 ASN 61 2HD2 ASN 61 -18.165 5.759 -3.488 455 2HD2 ASN 61 1HD2 ASN 61 -18.538 4.108 -3.811 456 H LYS 62 H LYS 62 -14.006 4.988 -1.514 457 HA LYS 62 HA LYS 62 -13.027 2.574 -0.196 458 1HB LYS 62 1HB LYS 62 -13.010 1.237 -2.280 459 2HB LYS 62 2HB LYS 62 -14.656 1.668 -1.817 460 1HG LYS 62 1HG LYS 62 -14.658 3.454 -3.488 461 2HG LYS 62 2HG LYS 62 -12.990 3.083 -3.917 462 1HD LYS 62 1HD LYS 62 -13.716 0.820 -4.619 463 2HD LYS 62 2HD LYS 62 -15.388 1.266 -4.295 464 1HE LYS 62 1HE LYS 62 -15.181 3.093 -5.974 465 2HE LYS 62 2HE LYS 62 -13.539 2.557 -6.318 466 1HZ LYS 62 1HZ LYS 62 -15.972 0.903 -6.686 467 2HZ LYS 62 2HZ LYS 62 -14.378 0.454 -7.060 468 3HZ LYS 62 3HZ LYS 62 -15.137 1.705 -7.923 469 H LEU 63 H LEU 63 -11.206 1.765 -2.091 470 HA LEU 63 HA LEU 63 -9.772 4.097 -3.070 471 1HB LEU 63 1HB LEU 63 -7.618 3.302 -2.182 472 2HB LEU 63 2HB LEU 63 -8.727 3.764 -0.902 473 HG LEU 63 HG LEU 63 -8.317 0.876 -1.736 474 1HD1 LEU 63 1HD1 LEU 63 -6.787 0.671 0.155 475 2HD1 LEU 63 2HD1 LEU 63 -6.879 2.413 0.429 476 3HD1 LEU 63 3HD1 LEU 63 -6.168 1.795 -1.055 477 1HD2 LEU 63 1HD2 LEU 63 -9.393 2.140 0.792 478 2HD2 LEU 63 2HD2 LEU 63 -9.219 0.406 0.498 479 3HD2 LEU 63 3HD2 LEU 63 -10.363 1.374 -0.457 480 H ILE 64 H ILE 64 -7.882 3.304 -4.467 481 HA ILE 64 HA ILE 64 -8.432 0.782 -5.795 482 HB ILE 64 HB ILE 64 -8.583 1.963 -8.068 483 1HG1 ILE 64 1HG1 ILE 64 -9.782 4.229 -7.890 484 2HG1 ILE 64 2HG1 ILE 64 -9.180 4.312 -6.237 485 1HG2 ILE 64 1HG2 ILE 64 -10.450 0.757 -7.136 486 2HG2 ILE 64 2HG2 ILE 64 -11.038 2.246 -7.883 487 3HG2 ILE 64 3HG2 ILE 64 -10.887 2.141 -6.126 488 1HD1 ILE 64 1HD1 ILE 64 -6.908 4.261 -7.039 489 2HD1 ILE 64 2HD1 ILE 64 -7.794 5.556 -7.844 490 3HD1 ILE 64 3HD1 ILE 64 -7.460 4.054 -8.704 491 H LEU 65 H LEU 65 -6.973 0.552 -7.749 492 HA LEU 65 HA LEU 65 -4.356 1.831 -7.276 493 1HB LEU 65 1HB LEU 65 -4.394 -0.513 -6.467 494 2HB LEU 65 2HB LEU 65 -4.895 -1.071 -8.042 495 HG LEU 65 HG LEU 65 -2.450 -1.447 -7.458 496 1HD1 LEU 65 1HD1 LEU 65 -2.678 0.286 -9.888 497 2HD1 LEU 65 2HD1 LEU 65 -3.436 -1.298 -9.816 498 3HD1 LEU 65 3HD1 LEU 65 -1.689 -1.159 -9.632 499 1HD2 LEU 65 1HD2 LEU 65 -0.905 0.387 -7.530 500 2HD2 LEU 65 2HD2 LEU 65 -2.118 0.695 -6.289 501 3HD2 LEU 65 3HD2 LEU 65 -2.215 1.534 -7.844 502 H THR 66 H THR 66 -3.969 3.081 -8.986 503 HA THR 66 HA THR 66 -4.546 2.057 -11.663 504 HB THR 66 HB THR 66 -6.432 3.547 -10.977 505 HG1 THR 66 HG1 THR 66 -5.117 5.074 -12.924 506 1HG2 THR 66 1HG2 THR 66 -6.008 5.971 -10.744 507 2HG2 THR 66 2HG2 THR 66 -4.280 5.663 -10.879 508 3HG2 THR 66 3HG2 THR 66 -5.184 5.050 -9.494 509 H LYS 67 H LYS 67 -3.280 3.047 -13.321 510 HA LYS 67 HA LYS 67 -1.023 4.646 -12.357 511 1HB LYS 67 1HB LYS 67 0.454 3.309 -13.970 512 2HB LYS 67 2HB LYS 67 -0.012 2.521 -12.472 513 1HG LYS 67 1HG LYS 67 -1.614 1.158 -13.583 514 2HG LYS 67 2HG LYS 67 -1.458 2.072 -15.081 515 1HD LYS 67 1HD LYS 67 0.876 1.314 -15.278 516 2HD LYS 67 2HD LYS 67 0.695 0.391 -13.786 517 1HE LYS 67 1HE LYS 67 -0.921 -1.057 -14.807 518 2HE LYS 67 2HE LYS 67 -1.013 -0.034 -16.233 519 1HZ LYS 67 1HZ LYS 67 1.394 -1.557 -15.384 520 2HZ LYS 67 2HZ LYS 67 1.261 -0.630 -16.790 521 3HZ LYS 67 3HZ LYS 67 0.330 -2.025 -16.609 522 1H MET 1 1H MET 1 4.990 -41.612 47.515 523 2H MET 1 2H MET 1 5.532 -42.277 46.062 524 3H MET 1 3H MET 1 4.061 -41.450 46.106 525 HA MET 1 HA MET 1 5.175 -39.402 46.628 526 1HB MET 1 1HB MET 1 7.075 -40.523 47.822 527 2HB MET 1 2HB MET 1 7.749 -40.947 46.261 528 1HG MET 1 1HG MET 1 7.213 -38.092 47.056 529 2HG MET 1 2HG MET 1 8.730 -38.916 47.413 530 1HE MET 1 1HE MET 1 9.774 -36.538 44.500 531 2HE MET 1 2HE MET 1 10.102 -37.050 46.146 532 3HE MET 1 3HE MET 1 8.604 -36.191 45.774 533 H MET 2 H MET 2 7.347 -41.202 44.458 534 HA MET 2 HA MET 2 7.556 -41.319 42.210 535 1HB MET 2 1HB MET 2 4.567 -40.945 42.430 536 2HB MET 2 2HB MET 2 5.356 -41.167 40.875 537 1HG MET 2 1HG MET 2 5.508 -43.119 43.178 538 2HG MET 2 2HG MET 2 4.421 -43.239 41.797 539 1HE MET 2 1HE MET 2 6.374 -45.577 42.678 540 2HE MET 2 2HE MET 2 7.058 -46.095 41.136 541 3HE MET 2 3HE MET 2 5.344 -45.718 41.264 542 H THR 3 H THR 3 6.551 -40.099 40.071 543 HA THR 3 HA THR 3 7.793 -37.549 40.110 544 HB THR 3 HB THR 3 7.920 -38.875 38.107 545 HG1 THR 3 HG1 THR 3 6.245 -36.590 37.689 546 1HG2 THR 3 1HG2 THR 3 5.803 -40.125 38.311 547 2HG2 THR 3 2HG2 THR 3 5.981 -39.387 36.719 548 3HG2 THR 3 3HG2 THR 3 4.915 -38.663 37.916 549 H ALA 4 H ALA 4 6.957 -35.678 40.677 550 HA ALA 4 HA ALA 4 4.267 -34.935 39.929 551 1HB ALA 4 1HB ALA 4 3.901 -35.931 42.137 552 2HB ALA 4 2HB ALA 4 3.607 -34.191 42.151 553 3HB ALA 4 3HB ALA 4 5.097 -34.843 42.838 554 H SER 5 H SER 5 6.935 -33.876 42.052 555 HA SER 5 HA SER 5 6.829 -31.170 41.167 556 1HB SER 5 1HB SER 5 9.025 -30.992 42.413 557 2HB SER 5 2HB SER 5 7.667 -31.566 43.371 558 HG SER 5 HG SER 5 8.524 -33.556 43.452 559 H ASP 6 H ASP 6 8.673 -33.989 40.318 560 HA ASP 6 HA ASP 6 10.529 -32.746 38.583 561 1HB ASP 6 1HB ASP 6 10.982 -34.984 39.387 562 2HB ASP 6 2HB ASP 6 9.498 -35.594 38.677 563 H ARG 7 H ARG 7 9.625 -31.374 37.139 564 HA ARG 7 HA ARG 7 8.461 -32.453 34.802 565 1HB ARG 7 1HB ARG 7 6.316 -31.295 34.856 566 2HB ARG 7 2HB ARG 7 6.430 -32.465 36.158 567 1HG ARG 7 1HG ARG 7 6.950 -30.670 37.733 568 2HG ARG 7 2HG ARG 7 6.789 -29.482 36.427 569 1HD ARG 7 1HD ARG 7 4.630 -31.320 37.482 570 2HD ARG 7 2HD ARG 7 4.735 -29.593 37.764 571 HE ARG 7 HE ARG 7 4.691 -29.676 35.080 572 1HH1 ARG 7 1HH1 ARG 7 2.610 -31.101 37.521 573 2HH1 ARG 7 2HH1 ARG 7 1.231 -31.159 36.471 574 1HH2 ARG 7 1HH2 ARG 7 2.844 -29.726 33.735 575 2HH2 ARG 7 2HH2 ARG 7 1.355 -30.383 34.332 576 H LEU 8 H LEU 8 8.225 -30.855 33.134 577 HA LEU 8 HA LEU 8 10.139 -28.728 33.410 578 1HB LEU 8 1HB LEU 8 8.331 -29.421 31.091 579 2HB LEU 8 2HB LEU 8 9.648 -28.267 31.033 580 HG LEU 8 HG LEU 8 9.986 -31.237 31.543 581 1HD1 LEU 8 1HD1 LEU 8 9.193 -30.749 29.274 582 2HD1 LEU 8 2HD1 LEU 8 10.842 -31.366 29.280 583 3HD1 LEU 8 3HD1 LEU 8 10.542 -29.641 29.048 584 1HD2 LEU 8 1HD2 LEU 8 12.021 -29.052 31.073 585 2HD2 LEU 8 2HD2 LEU 8 12.373 -30.777 31.178 586 3HD2 LEU 8 3HD2 LEU 8 11.742 -29.924 32.588 587 H GLY 9 H GLY 9 8.936 -27.568 35.130 588 1HA GLY 9 1HA GLY 9 6.490 -26.231 34.632 589 2HA GLY 9 2HA GLY 9 7.748 -25.700 35.754 590 H ALA 10 H ALA 10 9.836 -25.428 34.031 591 HA ALA 10 HA ALA 10 9.115 -23.890 31.701 592 1HB ALA 10 1HB ALA 10 10.413 -21.906 32.328 593 2HB ALA 10 2HB ALA 10 10.757 -22.607 33.916 594 3HB ALA 10 3HB ALA 10 9.098 -22.168 33.486 595 H ASP 11 H ASP 11 10.243 -25.045 30.286 596 HA ASP 11 HA ASP 11 12.529 -26.550 30.788 597 1HB ASP 11 1HB ASP 11 11.141 -26.949 28.818 598 2HB ASP 11 2HB ASP 11 11.533 -25.353 28.184 599 HA PRO 12 HA PRO 12 15.692 -23.623 31.581 600 1HB PRO 12 1HB PRO 12 17.802 -24.932 30.281 601 2HB PRO 12 2HB PRO 12 17.302 -25.161 31.951 602 1HG PRO 12 1HG PRO 12 16.636 -26.784 29.533 603 2HG PRO 12 2HG PRO 12 16.957 -27.329 31.192 604 1HD PRO 12 1HD PRO 12 14.466 -27.244 30.239 605 2HD PRO 12 2HD PRO 12 14.802 -26.763 31.917 606 H THR 13 H THR 13 15.386 -24.788 28.239 607 HA THR 13 HA THR 13 16.566 -22.249 27.317 608 HB THR 13 HB THR 13 17.879 -24.250 26.704 609 HG1 THR 13 HG1 THR 13 17.140 -22.291 25.128 610 1HG2 THR 13 1HG2 THR 13 16.082 -25.879 26.533 611 2HG2 THR 13 2HG2 THR 13 17.012 -25.832 25.034 612 3HG2 THR 13 3HG2 THR 13 15.426 -25.041 25.121 613 H GLN 14 H GLN 14 13.713 -23.169 27.978 614 HA GLN 14 HA GLN 14 12.213 -23.123 25.581 615 1HB GLN 14 1HB GLN 14 11.409 -23.997 27.766 616 2HB GLN 14 2HB GLN 14 11.356 -22.355 28.396 617 1HG GLN 14 1HG GLN 14 9.614 -21.795 26.766 618 2HG GLN 14 2HG GLN 14 9.716 -23.425 26.069 619 1HE2 GLN 14 2HE2 GLN 14 8.946 -25.153 27.223 620 2HE2 GLN 14 1HE2 GLN 14 7.848 -24.975 28.548 621 H ALA 15 H ALA 15 12.915 -21.402 24.324 622 HA ALA 15 HA ALA 15 11.799 -18.790 25.035 623 1HB ALA 15 1HB ALA 15 13.881 -17.621 24.423 624 2HB ALA 15 2HB ALA 15 14.700 -19.175 24.210 625 3HB ALA 15 3HB ALA 15 14.141 -18.693 25.808 626 H ALA 16 H ALA 16 10.911 -20.775 23.253 627 HA ALA 16 HA ALA 16 11.774 -20.844 20.672 628 1HB ALA 16 1HB ALA 16 9.905 -22.191 21.573 629 2HB ALA 16 2HB ALA 16 9.507 -21.447 20.032 630 3HB ALA 16 3HB ALA 16 8.876 -20.750 21.527 631 H SER 17 H SER 17 12.206 -19.303 19.244 632 HA SER 17 HA SER 17 10.447 -16.967 19.089 633 1HB SER 17 1HB SER 17 12.549 -16.394 20.349 634 2HB SER 17 2HB SER 17 13.464 -16.861 18.922 635 HG SER 17 HG SER 17 11.726 -14.676 19.295 636 H SER 18 H SER 18 9.585 -16.899 17.122 637 HA SER 18 HA SER 18 11.298 -17.441 14.795 638 1HB SER 18 1HB SER 18 8.474 -18.511 15.135 639 2HB SER 18 2HB SER 18 9.473 -18.652 13.681 640 HG SER 18 HG SER 18 10.964 -19.587 15.623 641 HA PRO 19 HA PRO 19 9.033 -13.474 14.445 642 1HB PRO 19 1HB PRO 19 11.118 -11.869 13.993 643 2HB PRO 19 2HB PRO 19 10.769 -12.467 15.616 644 1HG PRO 19 1HG PRO 19 12.830 -13.387 13.672 645 2HG PRO 19 2HG PRO 19 12.955 -13.226 15.430 646 1HD PRO 19 1HD PRO 19 12.473 -15.622 14.097 647 2HD PRO 19 2HD PRO 19 12.117 -15.292 15.814 648 H GLY 20 H GLY 20 9.975 -11.608 12.598 649 1HA GLY 20 1HA GLY 20 10.351 -11.289 10.282 650 2HA GLY 20 2HA GLY 20 10.243 -13.023 10.034 651 H GLY 21 H GLY 21 7.894 -11.390 11.953 652 1HA GLY 21 1HA GLY 21 5.826 -12.170 10.020 653 2HA GLY 21 2HA GLY 21 5.562 -11.743 11.709 654 H ALA 22 H ALA 22 6.302 -9.358 12.182 655 HA ALA 22 HA ALA 22 4.857 -7.725 10.235 656 1HB ALA 22 1HB ALA 22 3.936 -7.785 12.482 657 2HB ALA 22 2HB ALA 22 4.505 -6.160 12.079 658 3HB ALA 22 3HB ALA 22 5.459 -7.195 13.153 659 H ARG 23 H ARG 23 5.722 -5.816 9.443 660 HA ARG 23 HA ARG 23 8.465 -5.122 10.199 661 1HB ARG 23 1HB ARG 23 9.016 -4.900 7.736 662 2HB ARG 23 2HB ARG 23 8.797 -6.557 8.296 663 1HG ARG 23 1HG ARG 23 6.349 -6.216 7.506 664 2HG ARG 23 2HG ARG 23 7.033 -4.922 6.549 665 1HD ARG 23 1HD ARG 23 8.559 -6.475 5.458 666 2HD ARG 23 2HD ARG 23 7.959 -7.797 6.474 667 HE ARG 23 HE ARG 23 6.622 -6.588 4.190 668 1HH1 ARG 23 1HH1 ARG 23 6.380 -8.737 6.940 669 2HH1 ARG 23 2HH1 ARG 23 4.990 -9.586 6.345 670 1HH2 ARG 23 1HH2 ARG 23 4.805 -7.717 3.369 671 2HH2 ARG 23 2HH2 ARG 23 4.098 -9.025 4.286 672 H ALA 24 H ALA 24 9.098 -2.986 9.566 673 HA ALA 24 HA ALA 24 6.780 -1.184 9.308 674 1HB ALA 24 1HB ALA 24 8.135 -0.880 11.339 675 2HB ALA 24 2HB ALA 24 8.213 0.539 10.307 676 3HB ALA 24 3HB ALA 24 9.563 -0.583 10.343 677 H VAL 25 H VAL 25 6.525 -0.039 7.524 678 HA VAL 25 HA VAL 25 8.780 0.177 5.653 679 HB VAL 25 HB VAL 25 7.055 0.256 3.831 680 1HG1 VAL 25 1HG1 VAL 25 6.622 -2.169 3.822 681 2HG1 VAL 25 2HG1 VAL 25 7.087 -2.244 5.528 682 3HG1 VAL 25 3HG1 VAL 25 8.277 -1.799 4.308 683 1HG2 VAL 25 1HG2 VAL 25 4.778 -0.519 4.307 684 2HG2 VAL 25 2HG2 VAL 25 5.125 0.955 5.207 685 3HG2 VAL 25 3HG2 VAL 25 5.155 -0.609 6.037 686 H SER 26 H SER 26 9.186 2.163 4.759 687 HA SER 26 HA SER 26 7.919 4.427 6.090 688 1HB SER 26 1HB SER 26 10.392 4.378 4.333 689 2HB SER 26 2HB SER 26 9.851 5.695 5.377 690 HG SER 26 HG SER 26 10.490 3.097 6.318 691 H ILE 27 H ILE 27 7.246 6.272 4.986 692 HA ILE 27 HA ILE 27 6.594 5.942 2.140 693 HB ILE 27 HB ILE 27 4.990 7.480 4.222 694 1HG1 ILE 27 1HG1 ILE 27 4.741 5.038 4.496 695 2HG1 ILE 27 2HG1 ILE 27 3.240 5.765 3.919 696 1HG2 ILE 27 1HG2 ILE 27 3.309 7.761 2.450 697 2HG2 ILE 27 2HG2 ILE 27 4.403 6.994 1.302 698 3HG2 ILE 27 3HG2 ILE 27 4.844 8.531 2.040 699 1HD1 ILE 27 1HD1 ILE 27 5.252 4.242 2.263 700 2HD1 ILE 27 2HD1 ILE 27 3.783 5.008 1.644 701 3HD1 ILE 27 3HD1 ILE 27 3.671 3.686 2.798 702 H VAL 28 H VAL 28 7.599 7.463 0.893 703 HA VAL 28 HA VAL 28 8.827 9.746 2.309 704 HB VAL 28 HB VAL 28 10.446 9.848 0.417 705 1HG1 VAL 28 1HG1 VAL 28 10.275 7.189 1.845 706 2HG1 VAL 28 2HG1 VAL 28 11.017 8.662 2.457 707 3HG1 VAL 28 3HG1 VAL 28 11.723 7.842 1.063 708 1HG2 VAL 28 1HG2 VAL 28 10.621 7.964 -1.154 709 2HG2 VAL 28 2HG2 VAL 28 9.093 8.808 -1.344 710 3HG2 VAL 28 3HG2 VAL 28 9.141 7.267 -0.492 711 H GLY 29 H GLY 29 7.369 11.353 2.163 712 1HA GLY 29 1HA GLY 29 6.314 13.146 1.154 713 2HA GLY 29 2HA GLY 29 6.768 12.498 -0.423 714 H ASN 30 H ASN 30 5.644 10.496 -1.084 715 HA ASN 30 HA ASN 30 3.394 9.536 0.380 716 1HB ASN 30 1HB ASN 30 1.619 10.080 -1.114 717 2HB ASN 30 2HB ASN 30 2.448 11.595 -0.792 718 1HD2 ASN 30 2HD2 ASN 30 0.741 10.755 -3.034 719 2HD2 ASN 30 1HD2 ASN 30 1.678 11.039 -4.458 720 H GLN 31 H GLN 31 5.965 8.757 -0.969 721 HA GLN 31 HA GLN 31 4.934 6.834 -2.965 722 1HB GLN 31 1HB GLN 31 6.399 8.516 -3.983 723 2HB GLN 31 2HB GLN 31 7.660 8.148 -2.813 724 1HG GLN 31 1HG GLN 31 7.893 5.907 -3.751 725 2HG GLN 31 2HG GLN 31 6.597 6.250 -4.888 726 1HE2 GLN 31 2HE2 GLN 31 9.396 5.516 -5.387 727 2HE2 GLN 31 1HE2 GLN 31 10.049 6.789 -6.353 728 H ILE 32 H ILE 32 5.099 4.768 -2.422 729 HA ILE 32 HA ILE 32 7.489 3.886 -0.918 730 HB ILE 32 HB ILE 32 5.346 3.722 0.348 731 1HG1 ILE 32 1HG1 ILE 32 6.479 0.997 -0.398 732 2HG1 ILE 32 2HG1 ILE 32 7.185 2.102 0.779 733 1HG2 ILE 32 1HG2 ILE 32 3.813 3.406 -1.515 734 2HG2 ILE 32 2HG2 ILE 32 3.636 2.114 -0.341 735 3HG2 ILE 32 3HG2 ILE 32 4.504 1.804 -1.829 736 1HD1 ILE 32 1HD1 ILE 32 4.490 0.764 0.989 737 2HD1 ILE 32 2HD1 ILE 32 5.160 1.912 2.147 738 3HD1 ILE 32 3HD1 ILE 32 5.952 0.356 1.890 739 H ASP 33 H ASP 33 8.368 1.796 -1.466 740 HA ASP 33 HA ASP 33 7.818 1.088 -4.255 741 1HB ASP 33 1HB ASP 33 10.199 1.621 -3.353 742 2HB ASP 33 2HB ASP 33 10.132 0.030 -2.611 743 H SER 34 H SER 34 7.575 -1.039 -4.873 744 HA SER 34 HA SER 34 5.826 -2.569 -3.239 745 1HB SER 34 1HB SER 34 5.978 -4.248 -5.091 746 2HB SER 34 2HB SER 34 5.579 -2.610 -5.622 747 HG SER 34 HG SER 34 8.092 -2.543 -5.773 748 H ARG 35 H ARG 35 9.233 -2.502 -3.578 749 HA ARG 35 HA ARG 35 9.856 -5.204 -2.972 750 1HB ARG 35 1HB ARG 35 11.575 -2.841 -2.197 751 2HB ARG 35 2HB ARG 35 12.092 -4.469 -2.588 752 1HG ARG 35 1HG ARG 35 10.987 -2.424 -4.500 753 2HG ARG 35 2HG ARG 35 12.672 -2.910 -4.359 754 1HD ARG 35 1HD ARG 35 12.118 -5.159 -5.112 755 2HD ARG 35 2HD ARG 35 10.403 -4.723 -5.220 756 HE ARG 35 HE ARG 35 11.555 -2.871 -6.779 757 1HH1 ARG 35 1HH1 ARG 35 11.899 -6.356 -6.707 758 2HH1 ARG 35 2HH1 ARG 35 12.330 -6.460 -8.404 759 1HH2 ARG 35 1HH2 ARG 35 12.107 -3.027 -9.002 760 2HH2 ARG 35 2HH2 ARG 35 12.416 -4.573 -9.713 761 H GLU 36 H GLU 36 9.421 -2.303 -1.016 762 HA GLU 36 HA GLU 36 10.317 -3.275 1.439 763 1HB GLU 36 1HB GLU 36 8.105 -1.253 1.062 764 2HB GLU 36 2HB GLU 36 9.223 -1.350 2.414 765 1HG GLU 36 1HG GLU 36 9.896 -0.584 -0.440 766 2HG GLU 36 2HG GLU 36 9.806 0.494 0.946 767 H LEU 37 H LEU 37 7.111 -3.286 0.006 768 HA LEU 37 HA LEU 37 5.809 -4.424 2.283 769 1HB LEU 37 1HB LEU 37 4.872 -4.166 -0.593 770 2HB LEU 37 2HB LEU 37 3.868 -4.621 0.764 771 HG LEU 37 HG LEU 37 5.282 -1.957 0.522 772 1HD1 LEU 37 1HD1 LEU 37 3.520 -2.202 -1.196 773 2HD1 LEU 37 2HD1 LEU 37 3.115 -0.981 0.022 774 3HD1 LEU 37 3HD1 LEU 37 2.363 -2.583 0.088 775 1HD2 LEU 37 1HD2 LEU 37 4.875 -2.672 2.830 776 2HD2 LEU 37 2HD2 LEU 37 3.174 -2.924 2.468 777 3HD2 LEU 37 3HD2 LEU 37 3.850 -1.301 2.404 778 H PHE 38 H PHE 38 6.963 -5.704 -0.828 779 HA PHE 38 HA PHE 38 5.970 -8.377 -0.085 780 1HB PHE 38 1HB PHE 38 6.696 -7.258 -2.806 781 2HB PHE 38 2HB PHE 38 6.019 -8.862 -2.497 782 HD1 PHE 38 HD1 PHE 38 3.728 -8.850 -1.205 783 HD2 PHE 38 HD2 PHE 38 5.255 -5.547 -3.386 784 HE1 PHE 38 HE1 PHE 38 1.443 -7.957 -1.422 785 HE2 PHE 38 HE2 PHE 38 2.976 -4.607 -3.588 786 HZ PHE 38 HZ PHE 38 1.069 -5.837 -2.606 787 H THR 39 H THR 39 8.688 -6.973 0.509 788 HA THR 39 HA THR 39 10.723 -8.325 -0.834 789 HB THR 39 HB THR 39 11.203 -6.438 0.645 790 HG1 THR 39 HG1 THR 39 12.606 -8.679 0.536 791 1HG2 THR 39 1HG2 THR 39 11.248 -6.702 3.098 792 2HG2 THR 39 2HG2 THR 39 10.519 -8.293 2.932 793 3HG2 THR 39 3HG2 THR 39 9.622 -6.855 2.444 794 H VAL 40 H VAL 40 8.910 -9.224 2.058 795 HA VAL 40 HA VAL 40 9.585 -12.049 1.566 796 HB VAL 40 HB VAL 40 9.458 -10.809 4.342 797 1HG1 VAL 40 1HG1 VAL 40 10.259 -13.583 3.457 798 2HG1 VAL 40 2HG1 VAL 40 8.765 -13.151 4.296 799 3HG1 VAL 40 3HG1 VAL 40 10.317 -12.973 5.110 800 1HG2 VAL 40 1HG2 VAL 40 11.870 -11.185 4.497 801 2HG2 VAL 40 2HG2 VAL 40 11.474 -10.038 3.209 802 3HG2 VAL 40 3HG2 VAL 40 11.903 -11.706 2.807 803 H ASP 41 H ASP 41 7.459 -11.586 0.456 804 HA ASP 41 HA ASP 41 5.234 -12.614 1.654 805 1HB ASP 41 1HB ASP 41 5.598 -10.277 2.955 806 2HB ASP 41 2HB ASP 41 4.745 -9.657 1.539 807 H ARG 42 H ARG 42 3.251 -12.162 0.224 808 HA ARG 42 HA ARG 42 3.980 -10.819 -2.282 809 1HB ARG 42 1HB ARG 42 4.345 -13.369 -2.398 810 2HB ARG 42 2HB ARG 42 2.596 -13.500 -2.354 811 1HG ARG 42 1HG ARG 42 2.393 -12.281 -4.415 812 2HG ARG 42 2HG ARG 42 4.103 -11.869 -4.402 813 1HD ARG 42 1HD ARG 42 3.814 -13.627 -5.973 814 2HD ARG 42 2HD ARG 42 4.619 -14.300 -4.554 815 HE ARG 42 HE ARG 42 1.799 -14.651 -4.400 816 1HH1 ARG 42 1HH1 ARG 42 4.718 -15.949 -5.820 817 2HH1 ARG 42 2HH1 ARG 42 4.014 -17.488 -6.190 818 1HH2 ARG 42 1HH2 ARG 42 0.878 -16.700 -4.830 819 2HH2 ARG 42 2HH2 ARG 42 1.822 -17.920 -5.616 820 H GLU 43 H GLU 43 1.855 -11.051 0.203 821 HA GLU 43 HA GLU 43 -0.109 -9.517 -1.323 822 1HB GLU 43 1HB GLU 43 -0.940 -11.837 -1.332 823 2HB GLU 43 2HB GLU 43 -0.909 -11.858 0.426 824 1HG GLU 43 1HG GLU 43 -2.573 -10.055 0.452 825 2HG GLU 43 2HG GLU 43 -2.591 -10.048 -1.303 826 H ILE 44 H ILE 44 -0.926 -7.859 -0.239 827 HA ILE 44 HA ILE 44 -0.450 -7.626 2.665 828 HB ILE 44 HB ILE 44 -0.394 -5.412 0.605 829 1HG1 ILE 44 1HG1 ILE 44 1.651 -6.777 0.537 830 2HG1 ILE 44 2HG1 ILE 44 1.989 -5.177 1.179 831 1HG2 ILE 44 1HG2 ILE 44 0.306 -3.966 2.490 832 2HG2 ILE 44 2HG2 ILE 44 -0.021 -5.306 3.597 833 3HG2 ILE 44 3HG2 ILE 44 -1.339 -4.585 2.667 834 1HD1 ILE 44 1HD1 ILE 44 3.168 -6.930 2.379 835 2HD1 ILE 44 2HD1 ILE 44 1.637 -7.680 2.807 836 3HD1 ILE 44 3HD1 ILE 44 2.040 -6.082 3.439 837 H VAL 45 H VAL 45 -2.247 -6.954 3.877 838 HA VAL 45 HA VAL 45 -4.742 -6.725 2.355 839 HB VAL 45 HB VAL 45 -4.394 -7.369 5.293 840 1HG1 VAL 45 1HG1 VAL 45 -6.856 -7.400 3.529 841 2HG1 VAL 45 2HG1 VAL 45 -6.524 -6.306 4.872 842 3HG1 VAL 45 3HG1 VAL 45 -6.770 -8.024 5.177 843 1HG2 VAL 45 1HG2 VAL 45 -3.531 -9.164 3.866 844 2HG2 VAL 45 2HG2 VAL 45 -5.064 -9.221 2.994 845 3HG2 VAL 45 3HG2 VAL 45 -4.998 -9.660 4.700 846 H ILE 46 H ILE 46 -5.079 -4.648 1.925 847 HA ILE 46 HA ILE 46 -4.661 -2.585 3.911 848 HB ILE 46 HB ILE 46 -5.966 -2.360 1.183 849 1HG1 ILE 46 1HG1 ILE 46 -3.083 -1.792 1.969 850 2HG1 ILE 46 2HG1 ILE 46 -3.622 -3.224 1.098 851 1HG2 ILE 46 1HG2 ILE 46 -4.833 -0.239 3.027 852 2HG2 ILE 46 2HG2 ILE 46 -6.536 -0.508 2.637 853 3HG2 ILE 46 3HG2 ILE 46 -5.418 0.037 1.377 854 1HD1 ILE 46 1HD1 ILE 46 -4.388 -1.791 -0.741 855 2HD1 ILE 46 2HD1 ILE 46 -2.662 -1.606 -0.425 856 3HD1 ILE 46 3HD1 ILE 46 -3.794 -0.374 0.126 857 H ALA 47 H ALA 47 -6.103 -2.494 5.566 858 HA ALA 47 HA ALA 47 -8.904 -3.134 5.110 859 1HB ALA 47 1HB ALA 47 -7.816 -3.989 7.117 860 2HB ALA 47 2HB ALA 47 -9.119 -2.881 7.525 861 3HB ALA 47 3HB ALA 47 -7.451 -2.337 7.637 862 H HIS 48 H HIS 48 -10.571 -1.648 5.202 863 HA HIS 48 HA HIS 48 -9.995 1.137 5.892 864 1HB HIS 48 1HB HIS 48 -9.577 1.098 3.482 865 2HB HIS 48 2HB HIS 48 -11.126 0.295 3.193 866 HD1 HIS 48 HD1 HIS 48 -10.081 3.471 5.040 867 HD2 HIS 48 HD2 HIS 48 -12.897 2.153 2.289 868 HE1 HIS 48 HE1 HIS 48 -11.527 5.460 4.532 869 HE2 HIS 48 HE2 HIS 48 -13.354 4.566 3.051 870 H GLY 49 H GLY 49 -11.476 1.090 7.628 871 1HA GLY 49 1HA GLY 49 -13.592 1.639 8.415 872 2HA GLY 49 2HA GLY 49 -14.248 1.218 6.825 873 H ASP 50 H ASP 50 -15.221 -0.677 6.601 874 HA ASP 50 HA ASP 50 -14.741 -2.748 8.662 875 1HB ASP 50 1HB ASP 50 -17.060 -1.867 8.695 876 2HB ASP 50 2HB ASP 50 -17.245 -2.300 6.999 877 H ASP 51 H ASP 51 -14.547 -1.868 5.365 878 HA ASP 51 HA ASP 51 -14.589 -4.569 4.343 879 1HB ASP 51 1HB ASP 51 -15.459 -2.505 3.124 880 2HB ASP 51 2HB ASP 51 -13.796 -2.053 2.849 881 H ARG 52 H ARG 52 -12.783 -5.443 3.120 882 HA ARG 52 HA ARG 52 -10.153 -4.452 3.982 883 1HB ARG 52 1HB ARG 52 -11.194 -7.274 4.320 884 2HB ARG 52 2HB ARG 52 -9.468 -6.886 4.341 885 1HG ARG 52 1HG ARG 52 -9.848 -5.359 6.242 886 2HG ARG 52 2HG ARG 52 -11.569 -5.773 6.215 887 1HD ARG 52 1HD ARG 52 -9.334 -7.755 6.662 888 2HD ARG 52 2HD ARG 52 -10.303 -7.024 7.938 889 HE ARG 52 HE ARG 52 -12.061 -8.203 6.136 890 1HH1 ARG 52 1HH1 ARG 52 -9.553 -9.210 8.309 891 2HH1 ARG 52 2HH1 ARG 52 -10.257 -10.756 8.627 892 1HH2 ARG 52 1HH2 ARG 52 -13.053 -10.204 6.561 893 2HH2 ARG 52 2HH2 ARG 52 -12.274 -11.326 7.635 894 H TYR 53 H TYR 53 -8.722 -4.411 2.431 895 HA TYR 53 HA TYR 53 -9.453 -5.502 -0.201 896 1HB TYR 53 1HB TYR 53 -7.688 -3.119 0.519 897 2HB TYR 53 2HB TYR 53 -7.999 -3.716 -1.127 898 HD1 TYR 53 HD1 TYR 53 -9.818 -2.562 1.918 899 HD2 TYR 53 HD2 TYR 53 -9.690 -2.686 -2.342 900 HE1 TYR 53 HE1 TYR 53 -11.791 -1.106 1.813 901 HE2 TYR 53 HE2 TYR 53 -11.677 -1.244 -2.451 902 HH TYR 53 HH TYR 53 -13.683 -0.743 -0.846 903 H ARG 54 H ARG 54 -7.551 -6.158 -1.553 904 HA ARG 54 HA ARG 54 -5.293 -7.095 0.049 905 1HB ARG 54 1HB ARG 54 -6.857 -8.725 -1.974 906 2HB ARG 54 2HB ARG 54 -5.286 -9.222 -1.325 907 1HG ARG 54 1HG ARG 54 -6.345 -9.051 0.974 908 2HG ARG 54 2HG ARG 54 -7.902 -8.896 0.141 909 1HD ARG 54 1HD ARG 54 -7.474 -11.051 -0.973 910 2HD ARG 54 2HD ARG 54 -5.989 -11.232 -0.045 911 HE ARG 54 HE ARG 54 -8.597 -10.952 1.324 912 1HH1 ARG 54 1HH1 ARG 54 -5.687 -12.808 0.700 913 2HH1 ARG 54 2HH1 ARG 54 -6.091 -14.045 1.845 914 1HH2 ARG 54 1HH2 ARG 54 -9.131 -12.586 2.816 915 2HH2 ARG 54 2HH2 ARG 54 -8.048 -13.902 3.067 916 H LEU 55 H LEU 55 -3.658 -5.966 -0.670 917 HA LEU 55 HA LEU 55 -3.269 -5.392 -3.501 918 1HB LEU 55 1HB LEU 55 -2.646 -3.762 -1.696 919 2HB LEU 55 2HB LEU 55 -1.460 -4.917 -1.129 920 HG LEU 55 HG LEU 55 -0.288 -4.725 -3.316 921 1HD1 LEU 55 1HD1 LEU 55 -0.857 -2.844 -4.808 922 2HD1 LEU 55 2HD1 LEU 55 -2.271 -2.519 -3.819 923 3HD1 LEU 55 3HD1 LEU 55 -2.171 -4.022 -4.716 924 1HD2 LEU 55 1HD2 LEU 55 0.466 -3.450 -1.380 925 2HD2 LEU 55 2HD2 LEU 55 -0.653 -2.147 -1.814 926 3HD2 LEU 55 3HD2 LEU 55 0.700 -2.543 -2.875 927 H ARG 56 H ARG 56 -2.599 -7.055 -4.711 928 HA ARG 56 HA ARG 56 -0.842 -9.091 -3.456 929 1HB ARG 56 1HB ARG 56 -3.069 -9.973 -3.957 930 2HB ARG 56 2HB ARG 56 -2.920 -9.450 -5.629 931 1HG ARG 56 1HG ARG 56 -1.132 -11.055 -5.994 932 2HG ARG 56 2HG ARG 56 -1.186 -11.526 -4.293 933 1HD ARG 56 1HD ARG 56 -3.443 -11.846 -6.290 934 2HD ARG 56 2HD ARG 56 -2.364 -13.126 -5.739 935 HE ARG 56 HE ARG 56 -3.458 -12.128 -3.450 936 1HH1 ARG 56 1HH1 ARG 56 -4.780 -13.475 -6.405 937 2HH1 ARG 56 2HH1 ARG 56 -6.187 -14.102 -5.621 938 1HH2 ARG 56 1HH2 ARG 56 -5.299 -12.933 -2.435 939 2HH2 ARG 56 2HH2 ARG 56 -6.488 -13.794 -3.368 940 H LEU 57 H LEU 57 0.973 -9.724 -4.538 941 HA LEU 57 HA LEU 57 1.704 -8.130 -6.895 942 1HB LEU 57 1HB LEU 57 3.156 -7.907 -4.912 943 2HB LEU 57 2HB LEU 57 3.467 -9.633 -4.941 944 HG LEU 57 HG LEU 57 4.548 -9.331 -7.172 945 1HD1 LEU 57 1HD1 LEU 57 3.389 -7.284 -7.856 946 2HD1 LEU 57 2HD1 LEU 57 5.147 -7.084 -7.904 947 3HD1 LEU 57 3HD1 LEU 57 4.225 -6.399 -6.575 948 1HD2 LEU 57 1HD2 LEU 57 5.872 -9.394 -5.107 949 2HD2 LEU 57 2HD2 LEU 57 5.728 -7.639 -4.976 950 3HD2 LEU 57 3HD2 LEU 57 6.598 -8.354 -6.331 951 H THR 58 H THR 58 2.079 -9.140 -8.790 952 HA THR 58 HA THR 58 1.837 -12.047 -8.957 953 HB THR 58 HB THR 58 1.829 -11.663 -11.416 954 HG1 THR 58 HG1 THR 58 2.831 -9.268 -10.665 955 1HG2 THR 58 1HG2 THR 58 -0.289 -11.581 -10.214 956 2HG2 THR 58 2HG2 THR 58 -0.307 -10.425 -11.540 957 3HG2 THR 58 3HG2 THR 58 -0.059 -9.866 -9.891 958 H SER 59 H SER 59 3.435 -13.207 -10.360 959 HA SER 59 HA SER 59 6.026 -12.945 -9.337 960 1HB SER 59 1HB SER 59 5.246 -14.337 -11.917 961 2HB SER 59 2HB SER 59 6.606 -14.699 -10.859 962 HG SER 59 HG SER 59 5.298 -15.996 -9.858 963 H GLN 60 H GLN 60 6.776 -10.840 -9.633 964 HA GLN 60 HA GLN 60 8.265 -9.402 -10.584 965 1HB GLN 60 1HB GLN 60 8.156 -11.239 -12.971 966 2HB GLN 60 2HB GLN 60 9.252 -9.871 -12.813 967 1HG GLN 60 1HG GLN 60 10.292 -10.949 -10.870 968 2HG GLN 60 2HG GLN 60 9.175 -12.297 -11.042 969 1HE2 GLN 60 2HE2 GLN 60 11.937 -10.685 -12.408 970 2HE2 GLN 60 1HE2 GLN 60 12.412 -11.951 -13.484 971 H ASN 61 H ASN 61 5.527 -10.332 -12.591 972 HA ASN 61 HA ASN 61 5.715 -8.377 -14.548 973 1HB ASN 61 1HB ASN 61 4.251 -10.361 -14.711 974 2HB ASN 61 2HB ASN 61 3.190 -9.661 -13.489 975 1HD2 ASN 61 2HD2 ASN 61 4.762 -7.862 -16.073 976 2HD2 ASN 61 1HD2 ASN 61 3.309 -7.447 -16.922 977 H LYS 62 H LYS 62 3.161 -8.282 -12.064 978 HA LYS 62 HA LYS 62 3.627 -5.471 -11.550 979 1HB LYS 62 1HB LYS 62 1.255 -4.856 -12.205 980 2HB LYS 62 2HB LYS 62 2.359 -5.183 -13.538 981 1HG LYS 62 1HG LYS 62 0.387 -6.246 -14.179 982 2HG LYS 62 2HG LYS 62 1.358 -7.555 -13.523 983 1HD LYS 62 1HD LYS 62 0.137 -7.463 -11.420 984 2HD LYS 62 2HD LYS 62 -0.827 -6.095 -12.012 985 1HE LYS 62 1HE LYS 62 -0.791 -8.902 -13.196 986 2HE LYS 62 2HE LYS 62 -2.047 -8.222 -12.150 987 1HZ LYS 62 1HZ LYS 62 -2.720 -8.097 -14.440 988 2HZ LYS 62 2HZ LYS 62 -1.323 -7.259 -14.861 989 3HZ LYS 62 3HZ LYS 62 -2.469 -6.534 -13.852 990 H LEU 63 H LEU 63 1.205 -4.799 -10.406 991 HA LEU 63 HA LEU 63 0.455 -6.920 -8.574 992 1HB LEU 63 1HB LEU 63 0.563 -5.415 -6.612 993 2HB LEU 63 2HB LEU 63 2.147 -5.730 -7.293 994 HG LEU 63 HG LEU 63 0.640 -3.211 -7.950 995 1HD1 LEU 63 1HD1 LEU 63 0.820 -3.323 -5.511 996 2HD1 LEU 63 2HD1 LEU 63 1.871 -2.082 -6.184 997 3HD1 LEU 63 3HD1 LEU 63 2.562 -3.616 -5.657 998 1HD2 LEU 63 1HD2 LEU 63 3.573 -3.919 -7.964 999 2HD2 LEU 63 2HD2 LEU 63 2.884 -2.359 -8.412 1000 3HD2 LEU 63 3HD2 LEU 63 2.535 -3.781 -9.387 1001 H ILE 64 H ILE 64 -1.500 -6.142 -7.265 1002 HA ILE 64 HA ILE 64 -3.208 -4.318 -8.738 1003 HB ILE 64 HB ILE 64 -5.030 -6.123 -8.926 1004 1HG1 ILE 64 1HG1 ILE 64 -3.996 -8.441 -9.442 1005 2HG1 ILE 64 2HG1 ILE 64 -2.579 -7.852 -8.575 1006 1HG2 ILE 64 1HG2 ILE 64 -2.631 -6.227 -10.761 1007 2HG2 ILE 64 2HG2 ILE 64 -3.988 -5.103 -10.849 1008 3HG2 ILE 64 3HG2 ILE 64 -4.254 -6.815 -11.157 1009 1HD1 ILE 64 1HD1 ILE 64 -5.339 -8.025 -7.393 1010 2HD1 ILE 64 2HD1 ILE 64 -3.845 -7.626 -6.543 1011 3HD1 ILE 64 3HD1 ILE 64 -4.091 -9.260 -7.194 1012 H LEU 65 H LEU 65 -5.451 -4.303 -7.769 1013 HA LEU 65 HA LEU 65 -5.338 -4.779 -4.868 1014 1HB LEU 65 1HB LEU 65 -5.144 -2.346 -5.443 1015 2HB LEU 65 2HB LEU 65 -6.678 -2.444 -6.267 1016 HG LEU 65 HG LEU 65 -7.800 -3.099 -4.155 1017 1HD1 LEU 65 1HD1 LEU 65 -5.121 -2.484 -2.892 1018 2HD1 LEU 65 2HD1 LEU 65 -5.889 -4.072 -3.005 1019 3HD1 LEU 65 3HD1 LEU 65 -6.627 -2.803 -2.030 1020 1HD2 LEU 65 1HD2 LEU 65 -6.295 -0.469 -4.026 1021 2HD2 LEU 65 2HD2 LEU 65 -7.781 -0.872 -3.155 1022 3HD2 LEU 65 3HD2 LEU 65 -7.804 -0.757 -4.908 1023 H THR 66 H THR 66 -6.788 -6.321 -4.428 1024 HA THR 66 HA THR 66 -9.408 -6.266 -5.748 1025 HB THR 66 HB THR 66 -8.047 -7.868 -7.023 1026 HG1 THR 66 HG1 THR 66 -9.418 -9.839 -6.039 1027 1HG2 THR 66 1HG2 THR 66 -7.210 -9.941 -5.943 1028 2HG2 THR 66 2HG2 THR 66 -7.647 -9.260 -4.377 1029 3HG2 THR 66 3HG2 THR 66 -6.397 -8.483 -5.352 1030 H LYS 67 H LYS 67 -11.054 -7.462 -4.562 1031 HA LYS 67 HA LYS 67 -10.360 -8.408 -1.911 1032 1HB LYS 67 1HB LYS 67 -12.007 -6.941 -0.774 1033 2HB LYS 67 2HB LYS 67 -10.618 -6.090 -1.403 1034 1HG LYS 67 1HG LYS 67 -13.282 -6.141 -2.788 1035 2HG LYS 67 2HG LYS 67 -12.798 -4.895 -1.639 1036 1HD LYS 67 1HD LYS 67 -10.884 -4.341 -3.098 1037 2HD LYS 67 2HD LYS 67 -11.437 -5.524 -4.280 1038 1HE LYS 67 1HE LYS 67 -12.889 -3.041 -3.366 1039 2HE LYS 67 2HE LYS 67 -12.184 -3.322 -4.950 1040 1HZ LYS 67 1HZ LYS 67 -14.504 -3.672 -5.132 1041 2HZ LYS 67 2HZ LYS 67 -14.540 -4.665 -3.764 1042 3HZ LYS 67 3HZ LYS 67 -13.778 -5.201 -5.170
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