NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15055 | 1xfl | 6318 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -6.970 8.381 -25.291 2 HA MET 1 HA MET 1 -7.540 9.244 -22.622 3 1HB MET 1 2HB MET 1 -8.462 6.808 -24.153 4 2HB MET 1 1HB MET 1 -9.068 7.319 -22.581 5 1HG MET 1 2HG MET 1 -9.919 9.381 -23.530 6 2HG MET 1 1HG MET 1 -9.243 8.964 -25.096 7 1HE MET 1 1HE MET 1 -12.778 6.760 -23.104 8 2HE MET 1 2HE MET 1 -11.936 8.135 -22.393 9 3HE MET 1 3HE MET 1 -11.115 6.583 -22.555 10 H ALA 2 H ALA 2 -6.002 8.970 -21.240 11 HA ALA 2 HA ALA 2 -4.488 6.480 -21.241 12 1HB ALA 2 1HB ALA 2 -3.155 8.534 -21.315 13 2HB ALA 2 2HB ALA 2 -2.894 7.670 -19.798 14 3HB ALA 2 3HB ALA 2 -3.934 9.095 -19.838 15 H SER 3 H SER 3 -5.377 5.003 -20.002 16 HA SER 3 HA SER 3 -6.115 5.767 -17.314 17 1HB SER 3 2HB SER 3 -7.841 4.044 -19.106 18 2HB SER 3 1HB SER 3 -8.163 4.419 -17.408 19 HG SER 3 HG SER 3 -7.688 6.671 -18.583 20 H GLU 4 H GLU 4 -4.225 4.935 -16.702 21 HA GLU 4 HA GLU 4 -3.580 2.186 -17.380 22 1HB GLU 4 2HB GLU 4 -1.935 3.991 -17.739 23 2HB GLU 4 1HB GLU 4 -1.974 4.338 -16.024 24 1HG GLU 4 2HG GLU 4 -1.071 2.119 -15.560 25 2HG GLU 4 1HG GLU 4 -1.033 1.786 -17.292 26 H GLU 5 H GLU 5 -4.789 0.962 -16.029 27 HA GLU 5 HA GLU 5 -4.483 1.473 -13.196 28 1HB GLU 5 2HB GLU 5 -6.495 -0.231 -13.105 29 2HB GLU 5 1HB GLU 5 -6.768 1.471 -13.422 30 1HG GLU 5 2HG GLU 5 -8.095 -0.060 -14.859 31 2HG GLU 5 1HG GLU 5 -7.080 1.061 -15.755 32 H GLY 6 H GLY 6 -4.626 -0.620 -11.874 33 1HA GLY 6 2HA GLY 6 -3.861 -2.780 -11.484 34 2HA GLY 6 1HA GLY 6 -3.338 -2.878 -13.161 35 H GLN 7 H GLN 7 -2.272 -0.042 -11.782 36 HA GLN 7 HA GLN 7 0.207 -1.353 -11.127 37 1HB GLN 7 2HB GLN 7 1.423 0.699 -11.919 38 2HB GLN 7 1HB GLN 7 0.761 -0.367 -13.136 39 1HG GLN 7 2HG GLN 7 0.389 1.880 -13.869 40 2HG GLN 7 1HG GLN 7 -1.168 1.267 -13.332 41 1HE2 GLN 7 1HE2 GLN 7 -1.977 3.360 -13.007 42 2HE2 GLN 7 2HE2 GLN 7 -1.423 4.328 -11.689 43 H VAL 8 H VAL 8 1.494 -0.634 -9.683 44 HA VAL 8 HA VAL 8 0.292 1.011 -7.541 45 HB VAL 8 HB VAL 8 2.194 -1.346 -7.289 46 1HG1 VAL 8 1HG1 VAL 8 0.689 0.192 -5.212 47 2HG1 VAL 8 2HG1 VAL 8 2.420 0.259 -5.509 48 3HG1 VAL 8 3HG1 VAL 8 1.672 -1.240 -4.923 49 1HG2 VAL 8 1HG2 VAL 8 0.313 -2.613 -6.371 50 2HG2 VAL 8 2HG2 VAL 8 0.006 -2.125 -8.039 51 3HG2 VAL 8 3HG2 VAL 8 -0.764 -1.259 -6.711 52 H ILE 9 H ILE 9 1.822 2.629 -6.580 53 HA ILE 9 HA ILE 9 4.075 2.907 -8.332 54 HB ILE 9 HB ILE 9 2.995 4.818 -6.234 55 1HG1 ILE 9 2HG1 ILE 9 2.707 6.318 -8.229 56 2HG1 ILE 9 1HG1 ILE 9 3.149 4.973 -9.251 57 1HG2 ILE 9 1HG2 ILE 9 4.692 6.438 -6.975 58 2HG2 ILE 9 2HG2 ILE 9 5.431 5.189 -7.980 59 3HG2 ILE 9 3HG2 ILE 9 5.416 5.016 -6.226 60 1HD1 ILE 9 1HD1 ILE 9 0.751 5.279 -9.211 61 2HD1 ILE 9 2HD1 ILE 9 0.737 5.120 -7.455 62 3HD1 ILE 9 3HD1 ILE 9 1.179 3.742 -8.461 63 H ALA 10 H ALA 10 5.904 2.028 -7.903 64 HA ALA 10 HA ALA 10 6.488 1.154 -5.193 65 1HB ALA 10 1HB ALA 10 7.959 0.587 -7.764 66 2HB ALA 10 2HB ALA 10 6.746 -0.462 -7.029 67 3HB ALA 10 3HB ALA 10 8.275 -0.164 -6.198 68 H CYS 11 H CYS 11 7.525 2.481 -3.888 69 HA CYS 11 HA CYS 11 9.086 4.594 -5.016 70 1HB CYS 11 2HB CYS 11 8.596 3.949 -2.125 71 2HB CYS 11 1HB CYS 11 9.141 5.428 -2.842 72 HG CYS 11 HG CYS 11 6.034 4.254 -3.623 73 H HIS 12 H HIS 12 11.111 4.163 -5.475 74 HA HIS 12 HA HIS 12 12.520 2.243 -3.817 75 1HB HIS 12 2HB HIS 12 13.184 3.305 -6.567 76 2HB HIS 12 1HB HIS 12 14.291 2.311 -5.623 77 HD1 HIS 12 1HD HIS 12 13.811 -0.163 -5.469 78 HD2 HIS 12 2HD HIS 12 10.931 1.926 -7.615 79 HE1 HIS 12 1HE HIS 12 12.392 -1.920 -6.617 80 HE2 HIS 12 2HE HIS 12 10.653 -0.650 -7.873 81 H THR 13 H THR 13 11.848 5.287 -3.730 82 HA THR 13 HA THR 13 14.331 6.061 -2.486 83 HB THR 13 HB THR 13 14.208 8.296 -3.637 84 HG1 THR 13 1HG THR 13 12.742 7.100 -5.703 85 1HG2 THR 13 1HG2 THR 13 14.704 5.935 -5.471 86 2HG2 THR 13 2HG2 THR 13 15.882 6.655 -4.375 87 3HG2 THR 13 3HG2 THR 13 15.275 7.578 -5.751 88 H VAL 14 H VAL 14 13.950 7.937 -1.110 89 HA VAL 14 HA VAL 14 11.380 7.808 0.116 90 HB VAL 14 HB VAL 14 13.612 9.764 0.622 91 1HG1 VAL 14 1HG1 VAL 14 11.494 10.526 1.561 92 2HG1 VAL 14 2HG1 VAL 14 12.594 10.041 2.855 93 3HG1 VAL 14 3HG1 VAL 14 11.279 8.974 2.375 94 1HG2 VAL 14 1HG2 VAL 14 14.401 7.481 0.933 95 2HG2 VAL 14 2HG2 VAL 14 13.044 7.143 2.002 96 3HG2 VAL 14 3HG2 VAL 14 14.278 8.307 2.483 97 H GLU 15 H GLU 15 12.871 9.873 -2.328 98 HA GLU 15 HA GLU 15 11.359 12.115 -2.055 99 1HB GLU 15 2HB GLU 15 12.613 10.789 -4.448 100 2HB GLU 15 1HB GLU 15 11.935 12.396 -4.416 101 1HG GLU 15 2HG GLU 15 14.371 12.485 -4.285 102 2HG GLU 15 1HG GLU 15 13.644 13.094 -2.802 103 H THR 16 H THR 16 10.876 9.215 -4.122 104 HA THR 16 HA THR 16 8.443 10.077 -5.243 105 HB THR 16 HB THR 16 9.369 7.226 -4.777 106 HG1 THR 16 1HG THR 16 10.130 9.248 -6.523 107 1HG2 THR 16 1HG2 THR 16 7.008 7.419 -5.473 108 2HG2 THR 16 2HG2 THR 16 7.996 6.724 -6.758 109 3HG2 THR 16 3HG2 THR 16 7.496 8.412 -6.844 110 H TRP 17 H TRP 17 9.207 8.158 -2.391 111 HA TRP 17 HA TRP 17 6.667 7.414 -1.566 112 1HB TRP 17 2HB TRP 17 8.644 6.458 -0.622 113 2HB TRP 17 1HB TRP 17 9.223 8.026 -0.098 114 HD1 TRP 17 HD TRP 17 9.082 8.276 2.395 115 HE1 TRP 17 1HE TRP 17 7.570 7.424 4.266 116 HE3 TRP 17 3HE TRP 17 5.747 5.628 -0.416 117 HZ2 TRP 17 2HZ TRP 17 5.255 5.849 4.536 118 HZ3 TRP 17 3HZ TRP 17 3.897 4.488 0.739 119 HH2 TRP 17 HH TRP 17 3.665 4.602 3.169 120 H ASN 18 H ASN 18 8.571 10.227 -0.658 121 HA ASN 18 HA ASN 18 6.727 11.524 1.005 122 1HB ASN 18 2HB ASN 18 9.148 12.011 0.867 123 2HB ASN 18 1HB ASN 18 8.902 12.690 -0.732 124 1HD2 ASN 18 1HD2 ASN 18 8.572 13.124 2.608 125 2HD2 ASN 18 2HD2 ASN 18 8.139 14.790 2.629 126 H GLU 19 H GLU 19 7.495 11.899 -2.412 127 HA GLU 19 HA GLU 19 5.936 14.072 -3.130 128 1HB GLU 19 2HB GLU 19 7.732 12.938 -4.456 129 2HB GLU 19 1HB GLU 19 6.604 11.644 -4.789 130 1HG GLU 19 2HG GLU 19 6.756 13.108 -6.677 131 2HG GLU 19 1HG GLU 19 5.151 13.235 -5.958 132 H GLN 20 H GLN 20 5.092 10.562 -3.121 133 HA GLN 20 HA GLN 20 2.595 11.016 -4.222 134 1HB GLN 20 2HB GLN 20 3.956 8.770 -2.953 135 2HB GLN 20 1HB GLN 20 2.321 8.622 -3.568 136 1HG GLN 20 2HG GLN 20 4.836 9.278 -5.118 137 2HG GLN 20 1HG GLN 20 3.893 7.795 -5.242 138 1HE2 GLN 20 1HE2 GLN 20 1.929 7.846 -6.321 139 2HE2 GLN 20 2HE2 GLN 20 1.492 9.123 -7.394 140 H LEU 21 H LEU 21 3.734 10.493 -0.817 141 HA LEU 21 HA LEU 21 1.201 10.221 0.225 142 1HB LEU 21 2HB LEU 21 3.813 11.044 1.230 143 2HB LEU 21 1HB LEU 21 2.427 10.931 2.273 144 HG LEU 21 HG LEU 21 3.850 8.707 0.802 145 1HD1 LEU 21 1HD1 LEU 21 4.293 7.883 3.055 146 2HD1 LEU 21 2HD1 LEU 21 3.456 9.281 3.727 147 3HD1 LEU 21 3HD1 LEU 21 4.948 9.501 2.808 148 1HD2 LEU 21 1HD2 LEU 21 2.263 7.166 1.879 149 2HD2 LEU 21 2HD2 LEU 21 1.451 8.246 0.755 150 3HD2 LEU 21 3HD2 LEU 21 1.346 8.542 2.495 151 H GLN 22 H GLN 22 3.315 12.994 -0.203 152 HA GLN 22 HA GLN 22 1.713 14.811 1.158 153 1HB GLN 22 2HB GLN 22 4.049 15.252 0.412 154 2HB GLN 22 1HB GLN 22 3.472 15.347 -1.247 155 1HG GLN 22 2HG GLN 22 3.819 17.563 -0.318 156 2HG GLN 22 1HG GLN 22 2.111 17.289 -0.663 157 1HE2 GLN 22 1HE2 GLN 22 4.501 17.648 1.827 158 2HE2 GLN 22 2HE2 GLN 22 3.396 17.898 3.131 159 H LYS 23 H LYS 23 1.750 13.768 -2.215 160 HA LYS 23 HA LYS 23 -0.305 15.443 -3.141 161 1HB LYS 23 2HB LYS 23 1.239 14.264 -4.612 162 2HB LYS 23 1HB LYS 23 0.526 12.728 -4.147 163 1HG LYS 23 2HG LYS 23 -1.615 13.443 -5.117 164 2HG LYS 23 1HG LYS 23 -0.870 14.963 -5.605 165 1HD LYS 23 2HD LYS 23 0.727 13.733 -6.991 166 2HD LYS 23 1HD LYS 23 -0.036 12.214 -6.516 167 1HE LYS 23 2HE LYS 23 -2.147 12.990 -7.529 168 2HE LYS 23 1HE LYS 23 -1.345 14.483 -8.003 169 1HZ LYS 23 1HZ LYS 23 -1.418 12.919 -9.833 170 2HZ LYS 23 2HZ LYS 23 -0.552 11.781 -8.913 171 3HZ LYS 23 3HZ LYS 23 0.169 13.231 -9.346 172 H ALA 24 H ALA 24 -0.377 12.127 -1.801 173 HA ALA 24 HA ALA 24 -3.106 11.674 -2.254 174 1HB ALA 24 1HB ALA 24 -2.912 9.901 -0.585 175 2HB ALA 24 2HB ALA 24 -1.368 10.562 -0.048 176 3HB ALA 24 3HB ALA 24 -1.521 9.892 -1.672 177 H ASN 25 H ASN 25 -1.403 13.245 0.317 178 HA ASN 25 HA ASN 25 -3.543 13.544 2.173 179 1HB ASN 25 2HB ASN 25 -1.034 13.862 2.560 180 2HB ASN 25 1HB ASN 25 -1.220 15.368 1.748 181 1HD2 ASN 25 1HD2 ASN 25 -0.635 16.577 3.535 182 2HD2 ASN 25 2HD2 ASN 25 -1.708 16.819 4.861 183 H GLU 26 H GLU 26 -2.013 15.709 -0.064 184 HA GLU 26 HA GLU 26 -3.796 17.886 0.277 185 1HB GLU 26 2HB GLU 26 -1.875 17.283 -1.943 186 2HB GLU 26 1HB GLU 26 -2.787 18.783 -1.830 187 1HG GLU 26 2HG GLU 26 -0.831 17.745 0.207 188 2HG GLU 26 1HG GLU 26 -0.532 19.038 -0.957 189 H SER 27 H SER 27 -3.763 15.368 -2.247 190 HA SER 27 HA SER 27 -6.012 16.574 -3.544 191 1HB SER 27 2HB SER 27 -4.627 13.947 -3.984 192 2HB SER 27 1HB SER 27 -5.837 14.648 -5.055 193 HG SER 27 HG SER 27 -3.630 16.222 -4.369 194 H LYS 28 H LYS 28 -5.699 14.851 -0.776 195 HA LYS 28 HA LYS 28 -7.067 13.715 0.598 196 1HB LYS 28 2HB LYS 28 -9.114 14.823 -1.231 197 2HB LYS 28 1HB LYS 28 -9.518 14.100 0.325 198 1HG LYS 28 2HG LYS 28 -8.150 15.855 1.432 199 2HG LYS 28 1HG LYS 28 -7.870 16.593 -0.147 200 1HD LYS 28 2HD LYS 28 -10.287 16.908 -0.403 201 2HD LYS 28 1HD LYS 28 -10.541 16.201 1.189 202 1HE LYS 28 2HE LYS 28 -10.613 18.630 1.325 203 2HE LYS 28 1HE LYS 28 -9.224 17.996 2.198 204 1HZ LYS 28 1HZ LYS 28 -7.797 18.633 0.321 205 2HZ LYS 28 2HZ LYS 28 -8.637 19.940 0.904 206 3HZ LYS 28 3HZ LYS 28 -9.131 19.210 -0.529 207 H THR 29 H THR 29 -5.879 12.296 -1.397 208 HA THR 29 HA THR 29 -7.818 10.485 -2.554 209 HB THR 29 HB THR 29 -4.853 10.379 -2.642 210 HG1 THR 29 1HG THR 29 -6.749 11.932 -3.991 211 1HG2 THR 29 1HG2 THR 29 -5.908 8.327 -3.373 212 2HG2 THR 29 2HG2 THR 29 -5.224 9.134 -4.785 213 3HG2 THR 29 3HG2 THR 29 -6.959 9.214 -4.473 214 H LEU 30 H LEU 30 -7.890 8.453 -2.033 215 HA LEU 30 HA LEU 30 -7.141 7.778 0.628 216 1HB LEU 30 2HB LEU 30 -9.395 7.217 -0.323 217 2HB LEU 30 1HB LEU 30 -8.639 6.149 -1.469 218 HG LEU 30 HG LEU 30 -8.725 5.674 1.531 219 1HD1 LEU 30 1HD1 LEU 30 -10.431 4.010 0.985 220 2HD1 LEU 30 2HD1 LEU 30 -10.423 4.555 -0.693 221 3HD1 LEU 30 3HD1 LEU 30 -10.947 5.648 0.590 222 1HD2 LEU 30 1HD2 LEU 30 -8.099 3.383 0.973 223 2HD2 LEU 30 2HD2 LEU 30 -6.870 4.496 0.364 224 3HD2 LEU 30 3HD2 LEU 30 -8.063 3.797 -0.736 225 H VAL 31 H VAL 31 -5.322 6.400 1.047 226 HA VAL 31 HA VAL 31 -3.973 5.315 -1.290 227 HB VAL 31 HB VAL 31 -2.920 7.425 -0.702 228 1HG1 VAL 31 1HG1 VAL 31 -3.515 7.609 1.624 229 2HG1 VAL 31 2HG1 VAL 31 -1.773 7.794 1.418 230 3HG1 VAL 31 3HG1 VAL 31 -2.429 6.275 2.024 231 1HG2 VAL 31 1HG2 VAL 31 -1.447 5.689 -1.560 232 2HG2 VAL 31 2HG2 VAL 31 -1.188 5.081 0.074 233 3HG2 VAL 31 3HG2 VAL 31 -0.594 6.679 -0.375 234 H VAL 32 H VAL 32 -3.056 3.364 -1.061 235 HA VAL 32 HA VAL 32 -3.069 2.130 1.597 236 HB VAL 32 HB VAL 32 -3.621 0.758 -1.006 237 1HG1 VAL 32 1HG1 VAL 32 -3.727 -0.302 1.829 238 2HG1 VAL 32 2HG1 VAL 32 -2.495 -0.676 0.632 239 3HG1 VAL 32 3HG1 VAL 32 -4.161 -1.224 0.386 240 1HG2 VAL 32 1HG2 VAL 32 -5.923 0.409 -0.174 241 2HG2 VAL 32 2HG2 VAL 32 -5.534 2.116 -0.382 242 3HG2 VAL 32 3HG2 VAL 32 -5.539 1.401 1.231 243 H VAL 33 H VAL 33 -1.150 1.493 2.192 244 HA VAL 33 HA VAL 33 0.961 1.363 0.142 245 HB VAL 33 HB VAL 33 1.244 2.064 3.068 246 1HG1 VAL 33 1HG1 VAL 33 3.221 0.990 2.158 247 2HG1 VAL 33 2HG1 VAL 33 3.534 2.693 2.470 248 3HG1 VAL 33 3HG1 VAL 33 3.245 2.134 0.820 249 1HG2 VAL 33 1HG2 VAL 33 1.699 4.351 2.294 250 2HG2 VAL 33 2HG2 VAL 33 0.072 3.831 1.861 251 3HG2 VAL 33 3HG2 VAL 33 1.342 3.860 0.639 252 H ASP 34 H ASP 34 2.107 -0.449 -0.003 253 HA ASP 34 HA ASP 34 1.770 -2.515 2.048 254 1HB ASP 34 2HB ASP 34 0.924 -3.318 -0.035 255 2HB ASP 34 1HB ASP 34 2.312 -2.699 -0.912 256 H PHE 35 H PHE 35 3.436 -2.587 3.381 257 HA PHE 35 HA PHE 35 6.087 -1.864 2.455 258 1HB PHE 35 2HB PHE 35 5.009 -2.659 5.170 259 2HB PHE 35 1HB PHE 35 6.655 -2.151 4.830 260 HD1 PHE 35 1HD PHE 35 7.172 0.195 4.452 261 HD2 PHE 35 2HD PHE 35 3.178 -1.063 5.225 262 HE1 PHE 35 1HE PHE 35 6.527 2.526 4.892 263 HE2 PHE 35 2HE PHE 35 2.527 1.269 5.664 264 HZ PHE 35 HZ PHE 35 4.209 3.068 5.497 265 H THR 36 H THR 36 7.330 -3.453 1.695 266 HA THR 36 HA THR 36 6.913 -6.220 2.520 267 HB THR 36 HB THR 36 5.144 -5.674 0.859 268 HG1 THR 36 1HG THR 36 5.324 -7.526 0.222 269 1HG2 THR 36 1HG2 THR 36 7.467 -5.104 -0.972 270 2HG2 THR 36 2HG2 THR 36 6.301 -3.925 -0.371 271 3HG2 THR 36 3HG2 THR 36 5.777 -5.201 -1.469 272 H ALA 37 H ALA 37 8.410 -7.571 0.963 273 HA ALA 37 HA ALA 37 10.661 -6.015 -0.053 274 1HB ALA 37 1HB ALA 37 11.003 -8.473 1.668 275 2HB ALA 37 2HB ALA 37 11.391 -6.818 2.145 276 3HB ALA 37 3HB ALA 37 12.294 -7.598 0.847 277 H SER 38 H SER 38 11.406 -6.728 -1.936 278 HA SER 38 HA SER 38 9.897 -8.615 -3.372 279 1HB SER 38 2HB SER 38 11.039 -6.735 -4.459 280 2HB SER 38 1HB SER 38 12.602 -7.402 -4.026 281 HG SER 38 HG SER 38 12.518 -8.530 -5.722 282 H TRP 39 H TRP 39 12.753 -8.984 -1.405 283 HA TRP 39 HA TRP 39 13.172 -11.662 -2.395 284 1HB TRP 39 2HB TRP 39 15.031 -11.789 -0.692 285 2HB TRP 39 1HB TRP 39 15.206 -10.545 -1.908 286 HD1 TRP 39 HD TRP 39 15.838 -8.282 -1.048 287 HE1 TRP 39 1HE TRP 39 15.979 -7.112 1.235 288 HE3 TRP 39 3HE TRP 39 13.564 -11.832 1.836 289 HZ2 TRP 39 2HZ TRP 39 15.204 -7.601 3.895 290 HZ3 TRP 39 3HZ TRP 39 13.299 -11.399 4.244 291 HH2 TRP 39 HH TRP 39 14.104 -9.318 5.249 292 H CYS 40 H CYS 40 10.851 -10.569 -0.602 293 HA CYS 40 HA CYS 40 10.925 -12.687 1.404 294 1HB CYS 40 2HB CYS 40 10.364 -10.536 2.291 295 2HB CYS 40 1HB CYS 40 9.145 -10.259 1.064 296 H GLY 41 H GLY 41 9.846 -14.511 1.106 297 1HA GLY 41 2HA GLY 41 8.721 -15.208 -1.356 298 2HA GLY 41 1HA GLY 41 8.621 -16.151 0.116 299 HA PRO 42 HA PRO 42 4.274 -15.419 0.601 300 1HB PRO 42 2HB PRO 42 4.709 -13.883 3.114 301 2HB PRO 42 1HB PRO 42 3.703 -15.310 2.843 302 1HG PRO 42 2HG PRO 42 5.996 -15.555 4.140 303 2HG PRO 42 1HG PRO 42 5.521 -16.769 2.938 304 1HD PRO 42 2HD PRO 42 7.482 -14.518 2.680 305 2HD PRO 42 1HD PRO 42 7.618 -16.197 2.106 306 H CYS 43 H CYS 43 6.296 -12.682 1.259 307 HA CYS 43 HA CYS 43 4.380 -10.619 0.928 308 1HB CYS 43 2HB CYS 43 7.338 -10.558 0.398 309 2HB CYS 43 1HB CYS 43 6.315 -9.162 0.690 310 H ARG 44 H ARG 44 6.507 -12.334 -1.304 311 HA ARG 44 HA ARG 44 5.874 -10.664 -3.541 312 1HB ARG 44 2HB ARG 44 8.003 -12.074 -3.126 313 2HB ARG 44 1HB ARG 44 7.048 -13.458 -3.594 314 1HG ARG 44 2HG ARG 44 7.652 -11.073 -5.349 315 2HG ARG 44 1HG ARG 44 8.492 -12.612 -5.396 316 1HD ARG 44 2HD ARG 44 6.436 -13.712 -6.105 317 2HD ARG 44 1HD ARG 44 5.566 -12.180 -5.995 318 HE ARG 44 HE ARG 44 7.886 -12.175 -7.680 319 1HH1 ARG 44 1HH1 ARG 44 4.369 -12.667 -7.600 320 2HH1 ARG 44 2HH1 ARG 44 4.162 -12.296 -9.250 321 1HH2 ARG 44 1HH2 ARG 44 7.577 -11.713 -9.923 322 2HH2 ARG 44 2HH2 ARG 44 6.010 -11.754 -10.603 323 H PHE 45 H PHE 45 4.744 -13.634 -2.109 324 HA PHE 45 HA PHE 45 3.094 -14.536 -4.218 325 1HB PHE 45 2HB PHE 45 3.818 -16.011 -2.397 326 2HB PHE 45 1HB PHE 45 2.901 -15.058 -1.238 327 HD1 PHE 45 1HD PHE 45 2.663 -17.419 -4.048 328 HD2 PHE 45 2HD PHE 45 0.544 -15.376 -0.973 329 HE1 PHE 45 1HE PHE 45 0.720 -18.875 -4.419 330 HE2 PHE 45 2HE PHE 45 -1.404 -16.833 -1.344 331 HZ PHE 45 HZ PHE 45 -1.313 -18.588 -3.074 332 H ILE 46 H ILE 46 2.555 -12.274 -1.596 333 HA ILE 46 HA ILE 46 -0.287 -12.149 -2.133 334 HB ILE 46 HB ILE 46 0.688 -12.003 0.188 335 1HG1 ILE 46 2HG1 ILE 46 -0.752 -10.101 0.967 336 2HG1 ILE 46 1HG1 ILE 46 -1.038 -9.707 -0.727 337 1HG2 ILE 46 1HG2 ILE 46 2.608 -10.638 -0.256 338 2HG2 ILE 46 2HG2 ILE 46 1.597 -9.887 0.980 339 3HG2 ILE 46 3HG2 ILE 46 1.578 -9.270 -0.680 340 1HD1 ILE 46 1HD1 ILE 46 -1.676 -12.280 0.627 341 2HD1 ILE 46 2HD1 ILE 46 -2.032 -11.894 -1.063 342 3HD1 ILE 46 3HD1 ILE 46 -2.848 -11.018 0.248 343 H ALA 47 H ALA 47 2.511 -10.697 -3.296 344 HA ALA 47 HA ALA 47 1.833 -8.044 -3.709 345 1HB ALA 47 1HB ALA 47 3.648 -9.680 -5.472 346 2HB ALA 47 2HB ALA 47 4.115 -8.941 -3.943 347 3HB ALA 47 3HB ALA 47 3.644 -7.925 -5.304 348 HA PRO 48 HA PRO 48 0.177 -9.173 -8.243 349 1HB PRO 48 2HB PRO 48 -1.173 -11.575 -8.280 350 2HB PRO 48 1HB PRO 48 0.473 -11.345 -8.874 351 1HG PRO 48 2HG PRO 48 -0.451 -12.349 -6.214 352 2HG PRO 48 1HG PRO 48 0.820 -12.999 -7.270 353 1HD PRO 48 2HD PRO 48 1.470 -11.531 -5.173 354 2HD PRO 48 1HD PRO 48 2.311 -11.283 -6.719 355 H PHE 49 H PHE 49 -1.275 -10.234 -5.283 356 HA PHE 49 HA PHE 49 -3.958 -9.717 -6.109 357 1HB PHE 49 2HB PHE 49 -3.496 -11.332 -4.313 358 2HB PHE 49 1HB PHE 49 -2.843 -10.041 -3.310 359 HD1 PHE 49 1HD PHE 49 -4.235 -8.898 -1.853 360 HD2 PHE 49 2HD PHE 49 -5.932 -11.085 -5.082 361 HE1 PHE 49 1HE PHE 49 -6.483 -8.445 -0.974 362 HE2 PHE 49 2HE PHE 49 -8.180 -10.636 -4.209 363 HZ PHE 49 HZ PHE 49 -8.460 -9.315 -2.158 364 H PHE 50 H PHE 50 -1.487 -7.910 -4.440 365 HA PHE 50 HA PHE 50 -3.149 -5.630 -3.801 366 1HB PHE 50 2HB PHE 50 -0.962 -6.318 -2.653 367 2HB PHE 50 1HB PHE 50 -0.131 -5.761 -4.092 368 HD1 PHE 50 1HD PHE 50 -2.392 -4.679 -1.380 369 HD2 PHE 50 2HD PHE 50 0.485 -3.497 -4.278 370 HE1 PHE 50 1HE PHE 50 -2.314 -2.459 -0.379 371 HE2 PHE 50 2HE PHE 50 0.564 -1.245 -3.263 372 HZ PHE 50 HZ PHE 50 -0.836 -0.730 -1.315 373 H ALA 51 H ALA 51 -1.157 -6.594 -6.495 374 HA ALA 51 HA ALA 51 -1.417 -4.128 -7.926 375 1HB ALA 51 1HB ALA 51 -0.610 -5.401 -9.868 376 2HB ALA 51 2HB ALA 51 -0.842 -6.907 -8.980 377 3HB ALA 51 3HB ALA 51 0.366 -5.744 -8.441 378 H ASP 52 H ASP 52 -3.248 -7.045 -7.645 379 HA ASP 52 HA ASP 52 -5.125 -6.735 -9.742 380 1HB ASP 52 2HB ASP 52 -4.720 -8.794 -8.357 381 2HB ASP 52 1HB ASP 52 -5.536 -7.992 -7.050 382 H LEU 53 H LEU 53 -5.089 -5.843 -6.375 383 HA LEU 53 HA LEU 53 -7.536 -4.552 -6.142 384 1HB LEU 53 2HB LEU 53 -4.861 -4.206 -4.879 385 2HB LEU 53 1HB LEU 53 -6.187 -3.328 -4.252 386 HG LEU 53 HG LEU 53 -5.739 -6.279 -4.240 387 1HD1 LEU 53 1HD1 LEU 53 -5.795 -5.992 -1.809 388 2HD1 LEU 53 2HD1 LEU 53 -6.066 -4.265 -2.020 389 3HD1 LEU 53 3HD1 LEU 53 -4.542 -4.980 -2.532 390 1HD2 LEU 53 1HD2 LEU 53 -8.191 -4.790 -3.304 391 2HD2 LEU 53 2HD2 LEU 53 -7.866 -6.506 -3.044 392 3HD2 LEU 53 3HD2 LEU 53 -8.108 -5.896 -4.676 393 H ALA 54 H ALA 54 -4.398 -3.274 -7.080 394 HA ALA 54 HA ALA 54 -5.219 -0.633 -7.531 395 1HB ALA 54 1HB ALA 54 -3.173 -0.409 -8.853 396 2HB ALA 54 2HB ALA 54 -3.001 -2.162 -8.893 397 3HB ALA 54 3HB ALA 54 -2.870 -1.297 -7.359 398 H LYS 55 H LYS 55 -5.449 -3.494 -9.432 399 HA LYS 55 HA LYS 55 -6.006 -2.252 -11.906 400 1HB LYS 55 2HB LYS 55 -5.155 -4.580 -11.657 401 2HB LYS 55 1HB LYS 55 -6.723 -5.047 -11.030 402 1HG LYS 55 2HG LYS 55 -7.764 -4.555 -13.142 403 2HG LYS 55 1HG LYS 55 -6.240 -3.936 -13.786 404 1HD LYS 55 2HD LYS 55 -5.228 -6.164 -13.457 405 2HD LYS 55 1HD LYS 55 -6.787 -6.768 -12.890 406 1HE LYS 55 2HE LYS 55 -7.769 -6.188 -15.065 407 2HE LYS 55 1HE LYS 55 -6.203 -5.614 -15.615 408 1HZ LYS 55 1HZ LYS 55 -6.819 -8.416 -14.823 409 2HZ LYS 55 2HZ LYS 55 -5.321 -7.858 -15.319 410 3HZ LYS 55 3HZ LYS 55 -6.607 -7.851 -16.396 411 H LYS 56 H LYS 56 -8.071 -3.211 -9.236 412 HA LYS 56 HA LYS 56 -10.303 -2.215 -10.833 413 1HB LYS 56 2HB LYS 56 -10.329 -3.919 -8.395 414 2HB LYS 56 1HB LYS 56 -11.687 -2.850 -8.666 415 1HG LYS 56 2HG LYS 56 -12.257 -4.982 -9.552 416 2HG LYS 56 1HG LYS 56 -11.999 -3.891 -10.902 417 1HD LYS 56 2HD LYS 56 -11.038 -6.033 -11.411 418 2HD LYS 56 1HD LYS 56 -9.728 -4.876 -11.163 419 1HE LYS 56 2HE LYS 56 -9.330 -5.700 -8.963 420 2HE LYS 56 1HE LYS 56 -10.760 -6.732 -9.038 421 1HZ LYS 56 1HZ LYS 56 -9.714 -8.020 -10.748 422 2HZ LYS 56 2HZ LYS 56 -8.700 -7.943 -9.410 423 3HZ LYS 56 3HZ LYS 56 -8.366 -7.020 -10.766 424 H LEU 57 H LEU 57 -8.259 -1.021 -8.368 425 HA LEU 57 HA LEU 57 -10.151 1.136 -8.038 426 1HB LEU 57 2HB LEU 57 -8.252 -0.067 -6.090 427 2HB LEU 57 1HB LEU 57 -8.988 1.506 -5.864 428 HG LEU 57 HG LEU 57 -10.564 -0.992 -6.304 429 1HD1 LEU 57 1HD1 LEU 57 -9.240 -1.203 -4.204 430 2HD1 LEU 57 2HD1 LEU 57 -10.948 -0.986 -3.827 431 3HD1 LEU 57 3HD1 LEU 57 -9.834 0.372 -3.674 432 1HD2 LEU 57 1HD2 LEU 57 -11.313 1.715 -5.217 433 2HD2 LEU 57 2HD2 LEU 57 -12.391 0.325 -5.290 434 3HD2 LEU 57 3HD2 LEU 57 -11.773 1.037 -6.780 435 HA PRO 58 HA PRO 58 -6.544 3.259 -9.883 436 1HB PRO 58 2HB PRO 58 -7.966 4.810 -11.552 437 2HB PRO 58 1HB PRO 58 -7.614 3.123 -11.956 438 1HG PRO 58 2HG PRO 58 -10.114 4.295 -10.790 439 2HG PRO 58 1HG PRO 58 -9.950 3.139 -12.121 440 1HD PRO 58 2HD PRO 58 -10.540 2.314 -9.565 441 2HD PRO 58 1HD PRO 58 -9.582 1.364 -10.703 442 H ASN 59 H ASN 59 -9.439 4.159 -8.272 443 HA ASN 59 HA ASN 59 -8.781 6.966 -7.924 444 1HB ASN 59 2HB ASN 59 -11.134 6.216 -8.112 445 2HB ASN 59 1HB ASN 59 -10.928 5.280 -6.636 446 1HD2 ASN 59 1HD2 ASN 59 -12.597 6.375 -5.603 447 2HD2 ASN 59 2HD2 ASN 59 -12.442 8.000 -5.063 448 H VAL 60 H VAL 60 -7.779 4.130 -6.572 449 HA VAL 60 HA VAL 60 -7.121 5.401 -4.032 450 HB VAL 60 HB VAL 60 -7.259 2.446 -4.727 451 1HG1 VAL 60 1HG1 VAL 60 -5.492 2.854 -3.130 452 2HG1 VAL 60 2HG1 VAL 60 -6.854 2.077 -2.314 453 3HG1 VAL 60 3HG1 VAL 60 -6.578 3.812 -2.132 454 1HG2 VAL 60 1HG2 VAL 60 -9.468 3.437 -4.498 455 2HG2 VAL 60 2HG2 VAL 60 -9.015 4.136 -2.946 456 3HG2 VAL 60 3HG2 VAL 60 -9.131 2.387 -3.121 457 H LEU 61 H LEU 61 -5.039 5.709 -3.612 458 HA LEU 61 HA LEU 61 -3.168 5.105 -5.743 459 1HB LEU 61 2HB LEU 61 -3.251 7.373 -4.773 460 2HB LEU 61 1HB LEU 61 -2.846 6.714 -3.204 461 HG LEU 61 HG LEU 61 -0.641 6.024 -4.087 462 1HD1 LEU 61 1HD1 LEU 61 0.108 6.895 -6.246 463 2HD1 LEU 61 2HD1 LEU 61 -1.528 7.469 -6.577 464 3HD1 LEU 61 3HD1 LEU 61 -1.211 5.740 -6.421 465 1HD2 LEU 61 1HD2 LEU 61 -1.314 8.940 -4.464 466 2HD2 LEU 61 2HD2 LEU 61 0.305 8.279 -4.251 467 3HD2 LEU 61 3HD2 LEU 61 -0.872 8.159 -2.944 468 H PHE 62 H PHE 62 -2.013 3.301 -5.638 469 HA PHE 62 HA PHE 62 -1.585 2.112 -3.002 470 1HB PHE 62 2HB PHE 62 -1.426 0.807 -5.713 471 2HB PHE 62 1HB PHE 62 -1.109 0.016 -4.197 472 HD1 PHE 62 1HD PHE 62 -3.780 1.452 -6.277 473 HD2 PHE 62 2HD PHE 62 -2.846 -0.728 -2.754 474 HE1 PHE 62 1HE PHE 62 -6.142 0.816 -6.047 475 HE2 PHE 62 2HE PHE 62 -5.204 -1.368 -2.515 476 HZ PHE 62 HZ PHE 62 -6.857 -0.595 -4.168 477 H LEU 63 H LEU 63 0.400 1.529 -2.397 478 HA LEU 63 HA LEU 63 2.664 2.382 -4.048 479 1HB LEU 63 2HB LEU 63 2.007 3.260 -1.270 480 2HB LEU 63 1HB LEU 63 3.624 3.387 -1.941 481 HG LEU 63 HG LEU 63 1.321 4.556 -3.418 482 1HD1 LEU 63 1HD1 LEU 63 1.282 5.495 -1.046 483 2HD1 LEU 63 2HD1 LEU 63 1.791 6.720 -2.205 484 3HD1 LEU 63 3HD1 LEU 63 2.992 5.895 -1.212 485 1HD2 LEU 63 1HD2 LEU 63 3.499 4.357 -4.449 486 2HD2 LEU 63 2HD2 LEU 63 4.209 5.340 -3.165 487 3HD2 LEU 63 3HD2 LEU 63 3.013 6.042 -4.257 488 H LYS 64 H LYS 64 4.454 1.085 -3.946 489 HA LYS 64 HA LYS 64 4.424 -1.141 -2.097 490 1HB LYS 64 2HB LYS 64 5.949 -0.548 -4.629 491 2HB LYS 64 1HB LYS 64 6.179 -1.941 -3.619 492 1HG LYS 64 2HG LYS 64 3.627 -1.251 -5.036 493 2HG LYS 64 1HG LYS 64 4.852 -2.322 -5.686 494 1HD LYS 64 2HD LYS 64 3.425 -2.789 -3.069 495 2HD LYS 64 1HD LYS 64 2.925 -3.496 -4.605 496 1HE LYS 64 2HE LYS 64 5.167 -4.548 -4.791 497 2HE LYS 64 1HE LYS 64 5.568 -3.910 -3.197 498 1HZ LYS 64 1HZ LYS 64 3.781 -5.198 -2.255 499 2HZ LYS 64 2HZ LYS 64 4.827 -6.220 -3.094 500 3HZ LYS 64 3HZ LYS 64 3.339 -5.758 -3.784 501 H VAL 65 H VAL 65 5.669 -0.750 -0.352 502 HA VAL 65 HA VAL 65 8.084 0.853 -0.770 503 HB VAL 65 HB VAL 65 6.614 0.251 1.824 504 1HG1 VAL 65 1HG1 VAL 65 9.042 0.353 2.170 505 2HG1 VAL 65 2HG1 VAL 65 8.247 1.760 2.876 506 3HG1 VAL 65 3HG1 VAL 65 9.099 1.908 1.340 507 1HG2 VAL 65 1HG2 VAL 65 6.194 2.657 1.877 508 2HG2 VAL 65 2HG2 VAL 65 5.490 1.910 0.439 509 3HG2 VAL 65 3HG2 VAL 65 6.993 2.825 0.317 510 H ASP 66 H ASP 66 9.772 -0.345 -0.989 511 HA ASP 66 HA ASP 66 9.665 -3.059 -0.021 512 1HB ASP 66 2HB ASP 66 10.425 -2.561 -2.347 513 2HB ASP 66 1HB ASP 66 11.781 -1.704 -1.618 514 H THR 67 H THR 67 10.584 -3.643 1.696 515 HA THR 67 HA THR 67 11.679 -1.712 3.463 516 HB THR 67 HB THR 67 11.863 -3.688 5.061 517 HG1 THR 67 1HG THR 67 10.435 -4.987 2.971 518 1HG2 THR 67 1HG2 THR 67 9.188 -3.190 3.730 519 2HG2 THR 67 2HG2 THR 67 9.887 -2.211 5.018 520 3HG2 THR 67 3HG2 THR 67 9.424 -3.882 5.331 521 H ASP 68 H ASP 68 13.163 -3.846 1.257 522 HA ASP 68 HA ASP 68 15.728 -3.892 2.604 523 1HB ASP 68 2HB ASP 68 15.006 -5.652 0.999 524 2HB ASP 68 1HB ASP 68 14.976 -4.446 -0.267 525 H GLU 69 H GLU 69 13.979 -2.208 0.256 526 HA GLU 69 HA GLU 69 16.002 -0.537 -0.842 527 1HB GLU 69 2HB GLU 69 13.683 -1.223 -1.709 528 2HB GLU 69 1HB GLU 69 13.095 0.024 -0.679 529 1HG GLU 69 2HG GLU 69 13.309 0.858 -2.882 530 2HG GLU 69 1HG GLU 69 14.426 1.715 -1.803 531 H LEU 70 H LEU 70 13.147 0.236 1.143 532 HA LEU 70 HA LEU 70 14.510 2.578 2.144 533 1HB LEU 70 2HB LEU 70 11.629 1.804 1.905 534 2HB LEU 70 1HB LEU 70 12.224 3.268 2.644 535 HG LEU 70 HG LEU 70 12.489 2.501 -0.270 536 1HD1 LEU 70 1HD1 LEU 70 10.835 4.637 1.057 537 2HD1 LEU 70 2HD1 LEU 70 10.236 3.175 0.267 538 3HD1 LEU 70 3HD1 LEU 70 11.030 4.428 -0.681 539 1HD2 LEU 70 1HD2 LEU 70 13.418 4.759 -0.597 540 2HD2 LEU 70 2HD2 LEU 70 14.444 3.763 0.429 541 3HD2 LEU 70 3HD2 LEU 70 13.414 5.003 1.150 542 H LYS 71 H LYS 71 15.547 0.779 3.462 543 HA LYS 71 HA LYS 71 14.076 -0.589 5.446 544 1HB LYS 71 2HB LYS 71 16.254 -1.167 6.422 545 2HB LYS 71 1HB LYS 71 16.180 -1.478 4.696 546 1HG LYS 71 2HG LYS 71 17.427 0.626 4.304 547 2HG LYS 71 1HG LYS 71 17.556 0.846 6.049 548 1HD LYS 71 2HD LYS 71 18.650 -1.470 4.446 549 2HD LYS 71 1HD LYS 71 19.601 -0.150 5.128 550 1HE LYS 71 2HE LYS 71 18.910 -0.870 7.391 551 2HE LYS 71 1HE LYS 71 18.001 -2.196 6.676 552 1HZ LYS 71 1HZ LYS 71 20.072 -3.044 5.756 553 2HZ LYS 71 2HZ LYS 71 20.111 -2.962 7.441 554 3HZ LYS 71 3HZ LYS 71 20.931 -1.800 6.518 555 H SER 72 H SER 72 15.711 2.526 5.497 556 HA SER 72 HA SER 72 15.468 2.809 8.320 557 1HB SER 72 2HB SER 72 15.941 4.869 6.191 558 2HB SER 72 1HB SER 72 16.185 5.127 7.922 559 HG SER 72 HG SER 72 17.488 2.958 7.371 560 H VAL 73 H VAL 73 13.525 3.652 5.549 561 HA VAL 73 HA VAL 73 11.668 5.307 6.910 562 HB VAL 73 HB VAL 73 11.227 3.626 4.421 563 1HG1 VAL 73 1HG1 VAL 73 9.713 6.031 5.432 564 2HG1 VAL 73 2HG1 VAL 73 9.130 4.369 5.399 565 3HG1 VAL 73 3HG1 VAL 73 9.443 5.224 3.887 566 1HG2 VAL 73 1HG2 VAL 73 13.117 5.132 4.125 567 2HG2 VAL 73 2HG2 VAL 73 12.142 6.493 4.675 568 3HG2 VAL 73 3HG2 VAL 73 11.743 5.679 3.163 569 H ALA 74 H ALA 74 11.725 1.879 6.052 570 HA ALA 74 HA ALA 74 9.272 1.129 7.158 571 1HB ALA 74 1HB ALA 74 10.138 -1.145 7.106 572 2HB ALA 74 2HB ALA 74 11.776 -0.528 6.904 573 3HB ALA 74 3HB ALA 74 10.576 -0.275 5.636 574 H SER 75 H SER 75 12.379 1.639 8.639 575 HA SER 75 HA SER 75 11.689 0.404 11.110 576 1HB SER 75 2HB SER 75 13.928 2.321 10.447 577 2HB SER 75 1HB SER 75 13.791 1.389 11.941 578 HG SER 75 HG SER 75 14.315 0.514 9.320 579 H ASP 76 H ASP 76 11.394 3.662 9.807 580 HA ASP 76 HA ASP 76 10.882 4.852 12.386 581 1HB ASP 76 2HB ASP 76 11.849 6.137 10.454 582 2HB ASP 76 1HB ASP 76 10.287 6.004 9.656 583 H TRP 77 H TRP 77 8.973 3.715 9.662 584 HA TRP 77 HA TRP 77 6.492 4.409 10.852 585 1HB TRP 77 2HB TRP 77 7.243 2.708 8.526 586 2HB TRP 77 1HB TRP 77 5.562 2.836 9.037 587 HD1 TRP 77 HD TRP 77 8.440 5.172 7.848 588 HE1 TRP 77 1HE TRP 77 7.380 7.146 6.582 589 HE3 TRP 77 3HE TRP 77 3.519 4.024 8.531 590 HZ2 TRP 77 2HZ TRP 77 4.803 8.078 5.941 591 HZ3 TRP 77 3HZ TRP 77 1.813 5.502 7.553 592 HH2 TRP 77 HH TRP 77 2.441 7.484 6.288 593 H ALA 78 H ALA 78 8.712 2.087 11.436 594 HA ALA 78 HA ALA 78 8.886 0.296 12.708 595 1HB ALA 78 1HB ALA 78 7.798 1.694 14.390 596 2HB ALA 78 2HB ALA 78 7.372 -0.012 14.585 597 3HB ALA 78 3HB ALA 78 6.225 1.107 13.857 598 H ILE 79 H ILE 79 8.561 -0.615 10.528 599 HA ILE 79 HA ILE 79 6.305 -2.493 10.521 600 HB ILE 79 HB ILE 79 8.204 -1.747 8.276 601 1HG1 ILE 79 2HG1 ILE 79 6.757 0.153 8.822 602 2HG1 ILE 79 1HG1 ILE 79 6.307 -0.528 7.267 603 1HG2 ILE 79 1HG2 ILE 79 5.693 -3.419 8.230 604 2HG2 ILE 79 2HG2 ILE 79 7.345 -4.005 8.040 605 3HG2 ILE 79 3HG2 ILE 79 6.636 -2.953 6.816 606 1HD1 ILE 79 1HD1 ILE 79 4.874 -0.955 9.883 607 2HD1 ILE 79 2HD1 ILE 79 4.412 -1.654 8.329 608 3HD1 ILE 79 3HD1 ILE 79 4.355 0.092 8.561 609 H GLN 80 H GLN 80 6.979 -4.172 11.681 610 HA GLN 80 HA GLN 80 9.687 -5.167 11.150 611 1HB GLN 80 2HB GLN 80 9.298 -4.546 13.485 612 2HB GLN 80 1HB GLN 80 7.927 -5.638 13.564 613 1HG GLN 80 2HG GLN 80 9.388 -7.538 13.268 614 2HG GLN 80 1HG GLN 80 10.779 -6.469 13.093 615 1HE2 GLN 80 1HE2 GLN 80 11.561 -5.411 14.881 616 2HE2 GLN 80 2HE2 GLN 80 11.172 -5.897 16.494 617 H ALA 81 H ALA 81 6.314 -6.007 11.185 618 HA ALA 81 HA ALA 81 6.939 -8.736 10.398 619 1HB ALA 81 1HB ALA 81 4.511 -9.092 10.484 620 2HB ALA 81 2HB ALA 81 4.283 -7.376 10.825 621 3HB ALA 81 3HB ALA 81 5.108 -8.403 11.996 622 H MET 82 H MET 82 6.645 -9.472 8.327 623 HA MET 82 HA MET 82 6.087 -7.357 6.405 624 1HB MET 82 2HB MET 82 7.993 -9.655 6.119 625 2HB MET 82 1HB MET 82 7.734 -8.360 4.993 626 1HG MET 82 2HG MET 82 8.708 -6.729 6.400 627 2HG MET 82 1HG MET 82 8.720 -7.828 7.778 628 1HE MET 82 1HE MET 82 11.440 -8.373 4.104 629 2HE MET 82 2HE MET 82 10.247 -7.082 4.245 630 3HE MET 82 3HE MET 82 9.721 -8.758 4.100 631 HA PRO 83 HA PRO 83 5.345 -7.052 4.736 632 1HB PRO 83 2HB PRO 83 3.356 -6.801 2.959 633 2HB PRO 83 1HB PRO 83 4.816 -7.724 2.590 634 1HG PRO 83 2HG PRO 83 2.097 -8.694 3.277 635 2HG PRO 83 1HG PRO 83 3.319 -9.422 2.225 636 1HD PRO 83 2HD PRO 83 2.769 -10.088 4.936 637 2HD PRO 83 1HD PRO 83 4.111 -10.679 3.938 638 H THR 84 H THR 84 4.126 -5.073 5.220 639 HA THR 84 HA THR 84 1.669 -5.505 6.775 640 HB THR 84 HB THR 84 3.621 -3.292 6.923 641 HG1 THR 84 1HG THR 84 4.153 -5.433 7.981 642 1HG2 THR 84 1HG2 THR 84 1.137 -3.756 8.582 643 2HG2 THR 84 2HG2 THR 84 1.398 -2.452 7.423 644 3HG2 THR 84 3HG2 THR 84 2.328 -2.499 8.918 645 H PHE 85 H PHE 85 -0.159 -4.687 5.868 646 HA PHE 85 HA PHE 85 0.100 -2.876 3.603 647 1HB PHE 85 2HB PHE 85 -2.150 -4.622 4.592 648 2HB PHE 85 1HB PHE 85 -2.216 -3.573 3.197 649 HD1 PHE 85 1HD PHE 85 -0.889 -6.693 4.567 650 HD2 PHE 85 2HD PHE 85 -1.123 -4.191 1.137 651 HE1 PHE 85 1HE PHE 85 -0.066 -8.535 3.170 652 HE2 PHE 85 2HE PHE 85 -0.299 -6.029 -0.265 653 HZ PHE 85 HZ PHE 85 0.230 -8.195 0.745 654 H MET 86 H MET 86 -0.401 -0.836 4.044 655 HA MET 86 HA MET 86 -2.064 -0.349 6.408 656 1HB MET 86 2HB MET 86 0.215 0.462 6.640 657 2HB MET 86 1HB MET 86 0.023 1.452 5.195 658 1HG MET 86 2HG MET 86 -1.695 2.764 6.320 659 2HG MET 86 1HG MET 86 -1.553 1.764 7.755 660 1HE MET 86 1HE MET 86 1.657 1.300 7.819 661 2HE MET 86 2HE MET 86 0.662 1.627 9.236 662 3HE MET 86 3HE MET 86 2.103 2.590 8.934 663 H PHE 87 H PHE 87 -3.975 0.503 6.110 664 HA PHE 87 HA PHE 87 -4.693 1.537 3.524 665 1HB PHE 87 2HB PHE 87 -6.106 0.396 5.890 666 2HB PHE 87 1HB PHE 87 -6.994 1.162 4.623 667 HD1 PHE 87 1HD PHE 87 -7.276 0.029 2.479 668 HD2 PHE 87 2HD PHE 87 -4.923 -1.722 5.558 669 HE1 PHE 87 1HE PHE 87 -7.298 -2.112 1.270 670 HE2 PHE 87 2HE PHE 87 -4.941 -3.868 4.352 671 HZ PHE 87 HZ PHE 87 -6.129 -4.065 2.209 672 H LEU 88 H LEU 88 -4.717 3.714 3.424 673 HA LEU 88 HA LEU 88 -5.380 5.121 5.880 674 1HB LEU 88 2HB LEU 88 -3.772 6.217 3.548 675 2HB LEU 88 1HB LEU 88 -4.121 7.056 5.029 676 HG LEU 88 HG LEU 88 -2.628 5.302 6.191 677 1HD1 LEU 88 1HD1 LEU 88 -0.974 4.194 4.811 678 2HD1 LEU 88 2HD1 LEU 88 -1.799 4.747 3.359 679 3HD1 LEU 88 3HD1 LEU 88 -2.602 3.624 4.451 680 1HD2 LEU 88 1HD2 LEU 88 -1.407 7.167 4.165 681 2HD2 LEU 88 2HD2 LEU 88 -0.584 6.476 5.560 682 3HD2 LEU 88 3HD2 LEU 88 -1.926 7.598 5.796 683 H LYS 89 H LYS 89 -6.546 7.219 5.340 684 HA LYS 89 HA LYS 89 -7.806 7.220 2.713 685 1HB LYS 89 2HB LYS 89 -9.449 6.269 4.199 686 2HB LYS 89 1HB LYS 89 -9.219 7.593 5.338 687 1HG LYS 89 2HG LYS 89 -10.113 9.157 3.695 688 2HG LYS 89 1HG LYS 89 -10.339 7.829 2.551 689 1HD LYS 89 2HD LYS 89 -11.938 6.791 4.083 690 2HD LYS 89 1HD LYS 89 -11.673 8.088 5.252 691 1HE LYS 89 2HE LYS 89 -12.518 9.719 3.660 692 2HE LYS 89 1HE LYS 89 -12.731 8.461 2.455 693 1HZ LYS 89 1HZ LYS 89 -14.354 7.405 3.918 694 2HZ LYS 89 2HZ LYS 89 -14.821 8.934 3.488 695 3HZ LYS 89 3HZ LYS 89 -14.211 8.658 5.042 696 H GLU 90 H GLU 90 -7.480 9.027 1.754 697 HA GLU 90 HA GLU 90 -7.118 11.054 1.259 698 1HB GLU 90 2HB GLU 90 -8.242 11.630 3.967 699 2HB GLU 90 1HB GLU 90 -7.878 12.910 2.817 700 1HG GLU 90 2HG GLU 90 -9.492 11.970 1.260 701 2HG GLU 90 1HG GLU 90 -9.837 10.655 2.379 702 H GLY 91 H GLY 91 -5.123 9.497 2.714 703 1HA GLY 91 2HA GLY 91 -2.837 9.933 3.078 704 2HA GLY 91 1HA GLY 91 -3.232 11.623 3.351 705 H LYS 92 H LYS 92 -5.467 10.206 5.165 706 HA LYS 92 HA LYS 92 -3.750 10.247 7.525 707 1HB LYS 92 2HB LYS 92 -6.771 10.446 7.281 708 2HB LYS 92 1HB LYS 92 -5.928 10.348 8.813 709 1HG LYS 92 2HG LYS 92 -6.536 12.644 8.421 710 2HG LYS 92 1HG LYS 92 -4.793 12.502 8.263 711 1HD LYS 92 2HD LYS 92 -5.011 12.508 5.820 712 2HD LYS 92 1HD LYS 92 -6.763 12.598 5.970 713 1HE LYS 92 2HE LYS 92 -6.567 14.765 7.079 714 2HE LYS 92 1HE LYS 92 -4.812 14.663 6.986 715 1HZ LYS 92 1HZ LYS 92 -5.761 16.051 5.255 716 2HZ LYS 92 2HZ LYS 92 -6.626 14.749 4.621 717 3HZ LYS 92 3HZ LYS 92 -4.930 14.747 4.610 718 H ILE 93 H ILE 93 -3.437 8.483 8.728 719 HA ILE 93 HA ILE 93 -3.879 5.937 7.546 720 HB ILE 93 HB ILE 93 -2.964 6.561 10.372 721 1HG1 ILE 93 2HG1 ILE 93 -1.321 6.030 7.879 722 2HG1 ILE 93 1HG1 ILE 93 -1.532 7.603 8.630 723 1HG2 ILE 93 1HG2 ILE 93 -3.708 4.245 10.131 724 2HG2 ILE 93 2HG2 ILE 93 -1.951 4.310 10.306 725 3HG2 ILE 93 3HG2 ILE 93 -2.669 4.045 8.719 726 1HD1 ILE 93 1HD1 ILE 93 0.621 6.643 9.201 727 2HD1 ILE 93 2HD1 ILE 93 -0.171 5.211 9.858 728 3HD1 ILE 93 3HD1 ILE 93 -0.388 6.775 10.641 729 H LEU 94 H LEU 94 -5.555 4.531 7.753 730 HA LEU 94 HA LEU 94 -7.515 5.088 9.821 731 1HB LEU 94 2HB LEU 94 -7.659 3.492 7.299 732 2HB LEU 94 1HB LEU 94 -8.937 3.496 8.476 733 HG LEU 94 HG LEU 94 -8.008 5.774 6.736 734 1HD1 LEU 94 1HD1 LEU 94 -10.341 5.698 5.967 735 2HD1 LEU 94 2HD1 LEU 94 -10.598 4.261 6.958 736 3HD1 LEU 94 3HD1 LEU 94 -9.444 4.227 5.623 737 1HD2 LEU 94 1HD2 LEU 94 -9.753 7.127 7.790 738 2HD2 LEU 94 2HD2 LEU 94 -8.499 6.681 8.943 739 3HD2 LEU 94 3HD2 LEU 94 -10.052 5.834 8.949 740 H ASP 95 H ASP 95 -5.992 2.304 8.186 741 HA ASP 95 HA ASP 95 -5.519 1.001 10.644 742 1HB ASP 95 2HB ASP 95 -6.801 -1.010 9.959 743 2HB ASP 95 1HB ASP 95 -7.766 0.274 10.676 744 H LYS 96 H LYS 96 -4.471 -1.023 10.397 745 HA LYS 96 HA LYS 96 -3.476 -1.479 7.726 746 1HB LYS 96 2HB LYS 96 -1.122 -1.770 8.567 747 2HB LYS 96 1HB LYS 96 -1.719 -0.131 8.594 748 1HG LYS 96 2HG LYS 96 -0.403 -0.507 10.555 749 2HG LYS 96 1HG LYS 96 -2.081 -0.359 11.053 750 1HD LYS 96 2HD LYS 96 -2.228 -2.796 11.257 751 2HD LYS 96 1HD LYS 96 -0.560 -2.949 10.705 752 1HE LYS 96 2HE LYS 96 -0.710 -3.128 13.140 753 2HE LYS 96 1HE LYS 96 0.210 -1.705 12.662 754 1HZ LYS 96 1HZ LYS 96 -2.645 -1.695 13.500 755 2HZ LYS 96 2HZ LYS 96 -1.719 -0.327 13.131 756 3HZ LYS 96 3HZ LYS 96 -1.337 -1.264 14.465 757 H VAL 97 H VAL 97 -2.476 -3.487 7.363 758 HA VAL 97 HA VAL 97 -3.527 -5.621 9.095 759 HB VAL 97 HB VAL 97 -2.851 -5.755 6.135 760 1HG1 VAL 97 1HG1 VAL 97 -4.236 -7.754 7.912 761 2HG1 VAL 97 2HG1 VAL 97 -2.607 -7.894 7.250 762 3HG1 VAL 97 3HG1 VAL 97 -4.004 -7.918 6.171 763 1HG2 VAL 97 1HG2 VAL 97 -5.562 -5.605 7.440 764 2HG2 VAL 97 2HG2 VAL 97 -5.260 -5.845 5.722 765 3HG2 VAL 97 3HG2 VAL 97 -4.789 -4.334 6.499 766 H VAL 98 H VAL 98 -1.975 -6.739 10.042 767 HA VAL 98 HA VAL 98 0.751 -6.253 9.142 768 HB VAL 98 HB VAL 98 0.271 -5.522 11.420 769 1HG1 VAL 98 1HG1 VAL 98 -0.448 -8.376 12.035 770 2HG1 VAL 98 2HG1 VAL 98 -1.531 -6.987 12.031 771 3HG1 VAL 98 3HG1 VAL 98 -0.243 -7.097 13.232 772 1HG2 VAL 98 1HG2 VAL 98 2.057 -6.703 12.628 773 2HG2 VAL 98 2HG2 VAL 98 2.508 -6.269 10.979 774 3HG2 VAL 98 3HG2 VAL 98 2.070 -7.933 11.361 775 H GLY 99 H GLY 99 1.652 -7.775 7.964 776 1HA GLY 99 2HA GLY 99 2.570 -9.881 7.635 777 2HA GLY 99 1HA GLY 99 1.406 -10.558 8.775 778 H ALA 100 H ALA 100 1.882 -11.748 6.291 779 HA ALA 100 HA ALA 100 -0.201 -10.910 4.500 780 1HB ALA 100 1HB ALA 100 1.473 -13.430 4.518 781 2HB ALA 100 2HB ALA 100 1.849 -11.954 3.628 782 3HB ALA 100 3HB ALA 100 0.423 -12.898 3.204 783 H LYS 101 H LYS 101 -2.195 -11.183 5.114 784 HA LYS 101 HA LYS 101 -2.942 -13.690 6.383 785 1HB LYS 101 2HB LYS 101 -4.106 -10.918 6.697 786 2HB LYS 101 1HB LYS 101 -4.671 -12.380 7.505 787 1HG LYS 101 2HG LYS 101 -2.671 -12.585 8.751 788 2HG LYS 101 1HG LYS 101 -1.858 -11.347 7.788 789 1HD LYS 101 2HD LYS 101 -2.362 -10.555 9.853 790 2HD LYS 101 1HD LYS 101 -3.463 -9.779 8.695 791 1HE LYS 101 2HE LYS 101 -5.218 -11.411 9.406 792 2HE LYS 101 1HE LYS 101 -4.098 -12.014 10.628 793 1HZ LYS 101 1HZ LYS 101 -5.226 -9.290 10.442 794 2HZ LYS 101 2HZ LYS 101 -4.056 -9.748 11.567 795 3HZ LYS 101 3HZ LYS 101 -5.592 -10.440 11.622 796 H LYS 102 H LYS 102 -4.058 -14.781 4.713 797 HA LYS 102 HA LYS 102 -4.721 -13.434 2.326 798 1HB LYS 102 2HB LYS 102 -3.877 -15.810 2.717 799 2HB LYS 102 1HB LYS 102 -5.533 -16.192 3.131 800 1HG LYS 102 2HG LYS 102 -4.639 -15.081 0.475 801 2HG LYS 102 1HG LYS 102 -4.849 -16.781 0.875 802 1HD LYS 102 2HD LYS 102 -7.058 -14.709 0.976 803 2HD LYS 102 1HD LYS 102 -6.761 -15.757 -0.408 804 1HE LYS 102 2HE LYS 102 -7.169 -17.724 1.028 805 2HE LYS 102 1HE LYS 102 -7.495 -16.644 2.382 806 1HZ LYS 102 1HZ LYS 102 -9.056 -16.721 -0.146 807 2HZ LYS 102 2HZ LYS 102 -9.382 -15.748 1.173 808 3HZ LYS 102 3HZ LYS 102 -9.526 -17.413 1.307 809 H ASP 103 H ASP 103 -6.685 -15.036 4.803 810 HA ASP 103 HA ASP 103 -9.131 -14.310 3.514 811 1HB ASP 103 2HB ASP 103 -9.040 -16.406 4.719 812 2HB ASP 103 1HB ASP 103 -8.660 -15.568 6.217 813 H GLU 104 H GLU 104 -7.471 -13.248 6.390 814 HA GLU 104 HA GLU 104 -9.535 -11.537 7.303 815 1HB GLU 104 2HB GLU 104 -7.606 -12.609 8.619 816 2HB GLU 104 1HB GLU 104 -6.600 -11.345 7.951 817 1HG GLU 104 2HG GLU 104 -9.017 -10.822 9.682 818 2HG GLU 104 1HG GLU 104 -7.393 -11.009 10.316 819 H LEU 105 H LEU 105 -6.761 -11.022 5.165 820 HA LEU 105 HA LEU 105 -6.702 -8.240 4.986 821 1HB LEU 105 2HB LEU 105 -5.206 -9.891 3.837 822 2HB LEU 105 1HB LEU 105 -6.484 -10.182 2.727 823 HG LEU 105 HG LEU 105 -6.439 -7.900 1.895 824 1HD1 LEU 105 1HD1 LEU 105 -4.102 -7.511 3.760 825 2HD1 LEU 105 2HD1 LEU 105 -5.681 -6.724 3.867 826 3HD1 LEU 105 3HD1 LEU 105 -4.615 -6.378 2.510 827 1HD2 LEU 105 1HD2 LEU 105 -3.733 -9.228 1.869 828 2HD2 LEU 105 2HD2 LEU 105 -4.287 -8.002 0.731 829 3HD2 LEU 105 3HD2 LEU 105 -5.077 -9.578 0.780 830 H GLN 106 H GLN 106 -8.596 -10.569 3.338 831 HA GLN 106 HA GLN 106 -10.094 -8.930 1.573 832 1HB GLN 106 2HB GLN 106 -11.210 -11.384 2.942 833 2HB GLN 106 1HB GLN 106 -11.708 -10.720 1.399 834 1HG GLN 106 2HG GLN 106 -9.070 -12.032 2.010 835 2HG GLN 106 1HG GLN 106 -10.408 -12.736 1.112 836 1HE2 GLN 106 1HE2 GLN 106 -7.663 -12.252 0.393 837 2HE2 GLN 106 2HE2 GLN 106 -7.685 -11.290 -1.049 838 H SER 107 H SER 107 -10.658 -9.773 4.928 839 HA SER 107 HA SER 107 -13.211 -8.524 5.063 840 1HB SER 107 2HB SER 107 -11.284 -9.283 7.260 841 2HB SER 107 1HB SER 107 -12.995 -8.893 7.486 842 HG SER 107 HG SER 107 -12.714 -10.719 5.566 843 H THR 108 H THR 108 -9.904 -7.485 5.724 844 HA THR 108 HA THR 108 -10.653 -4.949 6.734 845 HB THR 108 HB THR 108 -8.021 -5.789 5.453 846 HG1 THR 108 1HG THR 108 -8.725 -6.969 7.513 847 1HG2 THR 108 1HG2 THR 108 -8.676 -3.448 7.279 848 2HG2 THR 108 2HG2 THR 108 -8.270 -3.339 5.573 849 3HG2 THR 108 3HG2 THR 108 -7.066 -3.890 6.732 850 H ILE 109 H ILE 109 -9.979 -6.234 3.484 851 HA ILE 109 HA ILE 109 -10.003 -3.742 2.166 852 HB ILE 109 HB ILE 109 -10.635 -6.513 1.110 853 1HG1 ILE 109 2HG1 ILE 109 -8.133 -4.826 0.935 854 2HG1 ILE 109 1HG1 ILE 109 -8.365 -6.201 2.008 855 1HG2 ILE 109 1HG2 ILE 109 -10.261 -5.567 -1.139 856 2HG2 ILE 109 2HG2 ILE 109 -10.095 -3.960 -0.430 857 3HG2 ILE 109 3HG2 ILE 109 -11.638 -4.808 -0.341 858 1HD1 ILE 109 1HD1 ILE 109 -7.044 -6.768 0.066 859 2HD1 ILE 109 2HD1 ILE 109 -8.376 -6.284 -0.991 860 3HD1 ILE 109 3HD1 ILE 109 -8.561 -7.668 0.090 861 H ALA 110 H ALA 110 -12.539 -6.152 2.759 862 HA ALA 110 HA ALA 110 -14.628 -4.848 1.438 863 1HB ALA 110 1HB ALA 110 -14.724 -7.171 2.198 864 2HB ALA 110 2HB ALA 110 -16.113 -6.248 2.759 865 3HB ALA 110 3HB ALA 110 -14.790 -6.619 3.868 866 H LYS 111 H LYS 111 -13.295 -4.390 4.597 867 HA LYS 111 HA LYS 111 -15.189 -2.787 5.875 868 1HB LYS 111 2HB LYS 111 -12.986 -3.715 6.727 869 2HB LYS 111 1HB LYS 111 -12.287 -2.413 5.810 870 1HG LYS 111 2HG LYS 111 -13.459 -0.748 7.156 871 2HG LYS 111 1HG LYS 111 -14.124 -2.038 8.160 872 1HD LYS 111 2HD LYS 111 -11.831 -2.734 8.738 873 2HD LYS 111 1HD LYS 111 -11.199 -1.391 7.786 874 1HE LYS 111 2HE LYS 111 -12.518 0.151 9.258 875 2HE LYS 111 1HE LYS 111 -12.911 -1.243 10.252 876 1HZ LYS 111 1HZ LYS 111 -10.504 -1.563 10.660 877 2HZ LYS 111 2HZ LYS 111 -11.042 -0.066 11.167 878 3HZ LYS 111 3HZ LYS 111 -10.184 -0.190 9.727 879 H HIS 112 H HIS 112 -12.577 -2.002 3.657 880 HA HIS 112 HA HIS 112 -13.204 0.811 3.630 881 1HB HIS 112 2HB HIS 112 -11.074 -0.831 2.301 882 2HB HIS 112 1HB HIS 112 -11.276 0.891 2.056 883 HD1 HIS 112 1HD HIS 112 -10.397 2.419 3.874 884 HD2 HIS 112 2HD HIS 112 -10.134 -1.583 4.883 885 HE1 HIS 112 1HE HIS 112 -8.940 2.318 5.932 886 HE2 HIS 112 2HE HIS 112 -8.768 -0.127 6.492 887 H LEU 113 H LEU 113 -14.028 -2.008 1.713 888 HA LEU 113 HA LEU 113 -14.261 -0.695 -0.726 889 1HB LEU 113 2HB LEU 113 -13.825 -3.119 -0.163 890 2HB LEU 113 1HB LEU 113 -15.520 -3.175 0.254 891 HG LEU 113 HG LEU 113 -14.938 -4.142 -1.819 892 1HD1 LEU 113 1HD1 LEU 113 -17.249 -3.363 -1.595 893 2HD1 LEU 113 2HD1 LEU 113 -16.743 -3.080 -3.261 894 3HD1 LEU 113 3HD1 LEU 113 -16.784 -1.743 -2.113 895 1HD2 LEU 113 1HD2 LEU 113 -14.427 -2.751 -3.825 896 2HD2 LEU 113 2HD2 LEU 113 -13.157 -2.785 -2.601 897 3HD2 LEU 113 3HD2 LEU 113 -14.212 -1.377 -2.743 898 H ALA 114 H ALA 114 -15.599 0.966 -0.749 899 HA ALA 114 HA ALA 114 -18.358 0.590 -0.934 900 1HB ALA 114 1HB ALA 114 -17.390 2.183 1.470 901 2HB ALA 114 2HB ALA 114 -18.303 0.673 1.531 902 3HB ALA 114 3HB ALA 114 -19.056 2.129 0.889 Start of MODEL 2 1 H MET 1 H MET 1 -9.189 6.410 -23.128 2 HA MET 1 HA MET 1 -9.636 8.229 -20.964 3 1HB MET 1 2HB MET 1 -9.494 5.199 -20.966 4 2HB MET 1 1HB MET 1 -10.043 6.191 -19.634 5 1HG MET 1 2HG MET 1 -11.949 5.236 -20.726 6 2HG MET 1 1HG MET 1 -11.934 6.967 -21.047 7 1HE MET 1 1HE MET 1 -13.743 4.863 -22.622 8 2HE MET 1 2HE MET 1 -13.548 5.419 -24.286 9 3HE MET 1 3HE MET 1 -13.748 6.590 -22.987 10 H ALA 2 H ALA 2 -8.237 8.796 -19.419 11 HA ALA 2 HA ALA 2 -5.492 7.978 -19.689 12 1HB ALA 2 1HB ALA 2 -6.027 10.321 -19.188 13 2HB ALA 2 2HB ALA 2 -5.057 9.611 -17.899 14 3HB ALA 2 3HB ALA 2 -6.794 9.826 -17.680 15 H SER 3 H SER 3 -5.095 5.987 -18.994 16 HA SER 3 HA SER 3 -6.569 4.804 -16.882 17 1HB SER 3 2HB SER 3 -4.130 3.792 -18.351 18 2HB SER 3 1HB SER 3 -5.193 2.833 -17.318 19 HG SER 3 HG SER 3 -6.812 3.024 -18.778 20 H GLU 4 H GLU 4 -6.226 5.801 -14.994 21 HA GLU 4 HA GLU 4 -3.531 6.145 -13.915 22 1HB GLU 4 2HB GLU 4 -5.374 7.818 -13.520 23 2HB GLU 4 1HB GLU 4 -6.250 6.590 -12.623 24 1HG GLU 4 2HG GLU 4 -5.181 8.053 -11.073 25 2HG GLU 4 1HG GLU 4 -4.349 6.499 -11.026 26 H GLU 5 H GLU 5 -6.105 4.023 -14.014 27 HA GLU 5 HA GLU 5 -5.622 2.466 -11.653 28 1HB GLU 5 2HB GLU 5 -7.394 1.044 -12.609 29 2HB GLU 5 1HB GLU 5 -7.866 2.739 -12.577 30 1HG GLU 5 2HG GLU 5 -7.182 2.886 -14.993 31 2HG GLU 5 1HG GLU 5 -6.945 1.148 -14.961 32 H GLY 6 H GLY 6 -4.973 0.210 -11.738 33 1HA GLY 6 2HA GLY 6 -4.053 -1.686 -12.737 34 2HA GLY 6 1HA GLY 6 -3.859 -0.781 -14.226 35 H GLN 7 H GLN 7 -2.591 0.983 -11.635 36 HA GLN 7 HA GLN 7 -0.045 -0.358 -11.906 37 1HB GLN 7 2HB GLN 7 1.176 1.754 -12.067 38 2HB GLN 7 1HB GLN 7 0.230 1.350 -13.483 39 1HG GLN 7 2HG GLN 7 -1.458 2.994 -12.815 40 2HG GLN 7 1HG GLN 7 -0.564 3.308 -11.327 41 1HE2 GLN 7 1HE2 GLN 7 1.325 4.495 -11.418 42 2HE2 GLN 7 2HE2 GLN 7 1.783 5.412 -12.803 43 H VAL 8 H VAL 8 1.367 -0.096 -10.416 44 HA VAL 8 HA VAL 8 0.430 0.958 -7.818 45 HB VAL 8 HB VAL 8 2.299 -1.381 -8.294 46 1HG1 VAL 8 1HG1 VAL 8 1.045 -0.328 -5.775 47 2HG1 VAL 8 2HG1 VAL 8 2.760 -0.286 -6.215 48 3HG1 VAL 8 3HG1 VAL 8 1.946 -1.833 -5.935 49 1HG2 VAL 8 1HG2 VAL 8 0.048 -1.980 -8.989 50 2HG2 VAL 8 2HG2 VAL 8 -0.597 -1.426 -7.444 51 3HG2 VAL 8 3HG2 VAL 8 0.477 -2.823 -7.501 52 H ILE 9 H ILE 9 1.967 2.278 -6.659 53 HA ILE 9 HA ILE 9 4.305 2.931 -8.237 54 HB ILE 9 HB ILE 9 3.093 4.380 -5.858 55 1HG1 ILE 9 2HG1 ILE 9 2.759 6.220 -7.579 56 2HG1 ILE 9 1HG1 ILE 9 3.158 5.047 -8.808 57 1HG2 ILE 9 1HG2 ILE 9 5.480 5.143 -7.541 58 2HG2 ILE 9 2HG2 ILE 9 5.505 4.662 -5.845 59 3HG2 ILE 9 3HG2 ILE 9 4.724 6.169 -6.322 60 1HD1 ILE 9 1HD1 ILE 9 0.801 4.893 -6.929 61 2HD1 ILE 9 2HD1 ILE 9 1.222 3.694 -8.147 62 3HD1 ILE 9 3HD1 ILE 9 0.744 5.314 -8.643 63 H ALA 10 H ALA 10 6.098 1.886 -7.739 64 HA ALA 10 HA ALA 10 6.390 0.724 -5.092 65 1HB ALA 10 1HB ALA 10 8.262 -0.525 -6.063 66 2HB ALA 10 2HB ALA 10 8.082 0.364 -7.574 67 3HB ALA 10 3HB ALA 10 6.803 -0.724 -7.033 68 H CYS 11 H CYS 11 7.329 1.948 -3.589 69 HA CYS 11 HA CYS 11 9.209 3.971 -4.431 70 1HB CYS 11 2HB CYS 11 7.998 3.583 -1.720 71 2HB CYS 11 1HB CYS 11 8.805 4.956 -2.387 72 HG CYS 11 HG CYS 11 5.947 3.970 -3.919 73 H HIS 12 H HIS 12 11.245 3.410 -4.209 74 HA HIS 12 HA HIS 12 11.996 1.519 -2.078 75 1HB HIS 12 2HB HIS 12 13.423 2.136 -4.693 76 2HB HIS 12 1HB HIS 12 14.048 1.080 -3.439 77 HD1 HIS 12 1HD HIS 12 13.597 -1.382 -3.865 78 HD2 HIS 12 2HD HIS 12 10.806 1.087 -5.738 79 HE1 HIS 12 1HE HIS 12 12.123 -2.890 -5.177 80 HE2 HIS 12 2HE HIS 12 10.741 -1.350 -6.563 81 H THR 13 H THR 13 11.638 4.635 -2.528 82 HA THR 13 HA THR 13 14.081 5.363 -1.164 83 HB THR 13 HB THR 13 14.229 7.404 -2.651 84 HG1 THR 13 1HG THR 13 13.121 7.479 -4.492 85 1HG2 THR 13 1HG2 THR 13 14.651 4.735 -4.015 86 2HG2 THR 13 2HG2 THR 13 15.795 5.523 -2.930 87 3HG2 THR 13 3HG2 THR 13 15.408 6.257 -4.485 88 H VAL 14 H VAL 14 13.887 7.463 -0.102 89 HA VAL 14 HA VAL 14 11.287 7.736 1.044 90 HB VAL 14 HB VAL 14 13.318 7.951 2.435 91 1HG1 VAL 14 1HG1 VAL 14 13.821 10.516 0.965 92 2HG1 VAL 14 2HG1 VAL 14 14.813 9.054 0.941 93 3HG1 VAL 14 3HG1 VAL 14 14.657 9.990 2.424 94 1HG2 VAL 14 1HG2 VAL 14 12.647 9.913 3.763 95 2HG2 VAL 14 2HG2 VAL 14 11.261 8.937 3.272 96 3HG2 VAL 14 3HG2 VAL 14 11.618 10.445 2.432 97 H GLU 15 H GLU 15 13.024 9.418 -1.423 98 HA GLU 15 HA GLU 15 11.633 11.872 -1.433 99 1HB GLU 15 2HB GLU 15 13.721 11.496 -2.662 100 2HB GLU 15 1HB GLU 15 12.912 10.332 -3.676 101 1HG GLU 15 2HG GLU 15 13.275 12.498 -4.792 102 2HG GLU 15 1HG GLU 15 11.581 12.019 -4.709 103 H THR 16 H THR 16 11.140 8.944 -3.365 104 HA THR 16 HA THR 16 8.783 9.730 -4.637 105 HB THR 16 HB THR 16 9.649 6.929 -3.867 106 HG1 THR 16 1HG THR 16 10.241 7.627 -6.393 107 1HG2 THR 16 1HG2 THR 16 8.416 6.263 -5.892 108 2HG2 THR 16 2HG2 THR 16 7.966 7.945 -6.168 109 3HG2 THR 16 3HG2 THR 16 7.346 7.090 -4.756 110 H TRP 17 H TRP 17 9.383 8.003 -1.628 111 HA TRP 17 HA TRP 17 6.829 7.399 -0.785 112 1HB TRP 17 2HB TRP 17 8.764 6.550 0.364 113 2HB TRP 17 1HB TRP 17 9.309 8.176 0.729 114 HD1 TRP 17 HD TRP 17 9.023 8.721 3.180 115 HE1 TRP 17 1HE TRP 17 7.377 8.123 5.037 116 HE3 TRP 17 3HE TRP 17 5.872 5.755 0.489 117 HZ2 TRP 17 2HZ TRP 17 5.008 6.582 5.324 118 HZ3 TRP 17 3HZ TRP 17 3.942 4.772 1.614 119 HH2 TRP 17 HH TRP 17 3.514 5.173 3.990 120 H ASN 18 H ASN 18 8.681 10.361 -0.047 121 HA ASN 18 HA ASN 18 6.605 11.656 1.376 122 1HB ASN 18 2HB ASN 18 9.013 12.311 1.479 123 2HB ASN 18 1HB ASN 18 8.869 12.953 -0.152 124 1HD2 ASN 18 1HD2 ASN 18 9.292 15.062 0.377 125 2HD2 ASN 18 2HD2 ASN 18 8.242 16.041 1.324 126 H GLU 19 H GLU 19 7.637 11.811 -1.997 127 HA GLU 19 HA GLU 19 6.012 13.877 -2.911 128 1HB GLU 19 2HB GLU 19 7.852 12.957 -4.219 129 2HB GLU 19 1HB GLU 19 6.991 11.436 -4.397 130 1HG GLU 19 2HG GLU 19 5.267 12.550 -5.700 131 2HG GLU 19 1HG GLU 19 6.098 14.092 -5.508 132 H GLN 20 H GLN 20 5.303 10.324 -2.873 133 HA GLN 20 HA GLN 20 2.867 10.590 -4.100 134 1HB GLN 20 2HB GLN 20 4.160 8.570 -2.436 135 2HB GLN 20 1HB GLN 20 2.536 8.329 -3.066 136 1HG GLN 20 2HG GLN 20 5.049 8.790 -4.678 137 2HG GLN 20 1HG GLN 20 4.218 7.245 -4.490 138 1HE2 GLN 20 1HE2 GLN 20 4.811 8.768 -6.895 139 2HE2 GLN 20 2HE2 GLN 20 3.312 9.069 -7.679 140 H LEU 21 H LEU 21 3.768 10.635 -0.611 141 HA LEU 21 HA LEU 21 1.149 10.484 0.248 142 1HB LEU 21 2HB LEU 21 3.674 11.452 1.370 143 2HB LEU 21 1HB LEU 21 2.203 11.409 2.291 144 HG LEU 21 HG LEU 21 3.757 9.057 1.190 145 1HD1 LEU 21 1HD1 LEU 21 4.071 8.493 3.548 146 2HD1 LEU 21 2HD1 LEU 21 3.201 9.957 4.009 147 3HD1 LEU 21 3HD1 LEU 21 4.739 10.078 3.158 148 1HD2 LEU 21 1HD2 LEU 21 2.113 7.628 2.341 149 2HD2 LEU 21 2HD2 LEU 21 1.363 8.572 1.061 150 3HD2 LEU 21 3HD2 LEU 21 1.159 9.057 2.745 151 H GLN 22 H GLN 22 3.352 13.179 -0.277 152 HA GLN 22 HA GLN 22 1.621 15.140 0.658 153 1HB GLN 22 2HB GLN 22 4.015 15.514 0.213 154 2HB GLN 22 1HB GLN 22 3.711 15.379 -1.511 155 1HG GLN 22 2HG GLN 22 2.346 17.384 -1.451 156 2HG GLN 22 1HG GLN 22 2.573 17.501 0.296 157 1HE2 GLN 22 1HE2 GLN 22 4.046 17.895 -2.806 158 2HE2 GLN 22 2HE2 GLN 22 5.458 18.717 -2.260 159 H LYS 23 H LYS 23 2.027 13.709 -2.526 160 HA LYS 23 HA LYS 23 0.151 15.287 -3.894 161 1HB LYS 23 2HB LYS 23 1.849 13.945 -5.036 162 2HB LYS 23 1HB LYS 23 1.094 12.472 -4.451 163 1HG LYS 23 2HG LYS 23 -0.917 13.006 -5.757 164 2HG LYS 23 1HG LYS 23 -0.120 14.460 -6.361 165 1HD LYS 23 2HD LYS 23 1.641 13.074 -7.353 166 2HD LYS 23 1HD LYS 23 0.832 11.627 -6.755 167 1HE LYS 23 2HE LYS 23 -1.138 12.174 -8.101 168 2HE LYS 23 1HE LYS 23 -0.323 13.622 -8.692 169 1HZ LYS 23 1HZ LYS 23 -0.169 11.832 -10.279 170 2HZ LYS 23 2HZ LYS 23 0.540 10.825 -9.140 171 3HZ LYS 23 3HZ LYS 23 1.367 12.180 -9.686 172 H ALA 24 H ALA 24 -0.172 12.061 -2.266 173 HA ALA 24 HA ALA 24 -2.876 11.749 -3.060 174 1HB ALA 24 1HB ALA 24 -1.391 10.399 -0.808 175 2HB ALA 24 2HB ALA 24 -1.426 9.851 -2.481 176 3HB ALA 24 3HB ALA 24 -2.909 9.858 -1.524 177 H ASN 25 H ASN 25 -1.315 13.188 -0.337 178 HA ASN 25 HA ASN 25 -3.540 13.379 1.419 179 1HB ASN 25 2HB ASN 25 -1.028 13.794 1.892 180 2HB ASN 25 1HB ASN 25 -1.300 15.349 1.186 181 1HD2 ASN 25 1HD2 ASN 25 -2.028 13.386 3.951 182 2HD2 ASN 25 2HD2 ASN 25 -2.660 14.656 4.927 183 H GLU 26 H GLU 26 -1.972 15.662 -0.702 184 HA GLU 26 HA GLU 26 -3.825 17.774 -0.524 185 1HB GLU 26 2HB GLU 26 -1.595 18.103 -1.450 186 2HB GLU 26 1HB GLU 26 -1.989 17.070 -2.816 187 1HG GLU 26 2HG GLU 26 -3.680 18.674 -3.539 188 2HG GLU 26 1HG GLU 26 -3.282 19.709 -2.175 189 H SER 27 H SER 27 -3.729 15.027 -2.765 190 HA SER 27 HA SER 27 -5.939 15.990 -4.302 191 1HB SER 27 2HB SER 27 -4.605 13.303 -4.217 192 2HB SER 27 1HB SER 27 -5.724 13.855 -5.463 193 HG SER 27 HG SER 27 -3.140 14.819 -4.847 194 H LYS 28 H LYS 28 -5.654 14.461 -1.319 195 HA LYS 28 HA LYS 28 -7.024 13.365 0.086 196 1HB LYS 28 2HB LYS 28 -9.066 14.610 -1.655 197 2HB LYS 28 1HB LYS 28 -9.479 13.822 -0.133 198 1HG LYS 28 2HG LYS 28 -8.025 15.463 1.035 199 2HG LYS 28 1HG LYS 28 -7.746 16.267 -0.511 200 1HD LYS 28 2HD LYS 28 -10.145 16.707 -0.707 201 2HD LYS 28 1HD LYS 28 -10.419 15.902 0.840 202 1HE LYS 28 2HE LYS 28 -9.018 17.560 1.951 203 2HE LYS 28 1HE LYS 28 -8.726 18.356 0.409 204 1HZ LYS 28 1HZ LYS 28 -11.348 18.072 1.761 205 2HZ LYS 28 2HZ LYS 28 -11.128 18.772 0.256 206 3HZ LYS 28 3HZ LYS 28 -10.466 19.498 1.619 207 H THR 29 H THR 29 -5.986 11.932 -2.009 208 HA THR 29 HA THR 29 -7.984 10.099 -2.999 209 HB THR 29 HB THR 29 -5.026 9.845 -3.060 210 HG1 THR 29 1HG THR 29 -6.460 10.927 -5.266 211 1HG2 THR 29 1HG2 THR 29 -5.445 8.619 -5.190 212 2HG2 THR 29 2HG2 THR 29 -7.177 8.835 -4.924 213 3HG2 THR 29 3HG2 THR 29 -6.227 7.876 -3.792 214 H LEU 30 H LEU 30 -8.080 8.002 -2.305 215 HA LEU 30 HA LEU 30 -7.275 7.556 0.402 216 1HB LEU 30 2HB LEU 30 -9.494 6.802 -0.542 217 2HB LEU 30 1HB LEU 30 -8.656 5.677 -1.567 218 HG LEU 30 HG LEU 30 -8.782 5.499 1.464 219 1HD1 LEU 30 1HD1 LEU 30 -10.962 5.189 0.486 220 2HD1 LEU 30 2HD1 LEU 30 -10.324 3.649 1.061 221 3HD1 LEU 30 3HD1 LEU 30 -10.307 4.018 -0.660 222 1HD2 LEU 30 1HD2 LEU 30 -6.801 4.366 0.520 223 2HD2 LEU 30 2HD2 LEU 30 -7.848 3.446 -0.565 224 3HD2 LEU 30 3HD2 LEU 30 -7.962 3.219 1.175 225 H VAL 31 H VAL 31 -5.406 6.222 0.937 226 HA VAL 31 HA VAL 31 -3.999 5.195 -1.392 227 HB VAL 31 HB VAL 31 -3.075 7.364 -0.850 228 1HG1 VAL 31 1HG1 VAL 31 -1.911 7.817 1.255 229 2HG1 VAL 31 2HG1 VAL 31 -2.499 6.274 1.876 230 3HG1 VAL 31 3HG1 VAL 31 -3.645 7.553 1.470 231 1HG2 VAL 31 1HG2 VAL 31 -0.703 6.759 -0.559 232 2HG2 VAL 31 2HG2 VAL 31 -1.530 5.711 -1.712 233 3HG2 VAL 31 3HG2 VAL 31 -1.195 5.136 -0.079 234 H VAL 32 H VAL 32 -2.982 3.309 -1.209 235 HA VAL 32 HA VAL 32 -2.946 2.057 1.430 236 HB VAL 32 HB VAL 32 -4.522 0.953 -0.225 237 1HG1 VAL 32 1HG1 VAL 32 -3.694 -0.377 -2.018 238 2HG1 VAL 32 2HG1 VAL 32 -2.104 0.358 -1.799 239 3HG1 VAL 32 3HG1 VAL 32 -3.491 1.361 -2.250 240 1HG2 VAL 32 1HG2 VAL 32 -3.597 -0.357 1.617 241 2HG2 VAL 32 2HG2 VAL 32 -2.185 -0.743 0.636 242 3HG2 VAL 32 3HG2 VAL 32 -3.775 -1.346 0.166 243 H VAL 33 H VAL 33 -1.030 1.538 2.179 244 HA VAL 33 HA VAL 33 1.246 1.558 0.314 245 HB VAL 33 HB VAL 33 1.185 2.503 3.186 246 1HG1 VAL 33 1HG1 VAL 33 3.491 3.184 2.804 247 2HG1 VAL 33 2HG1 VAL 33 3.424 2.507 1.178 248 3HG1 VAL 33 3HG1 VAL 33 3.293 1.445 2.580 249 1HG2 VAL 33 1HG2 VAL 33 1.640 4.731 2.255 250 2HG2 VAL 33 2HG2 VAL 33 0.097 4.094 1.687 251 3HG2 VAL 33 3HG2 VAL 33 1.505 4.074 0.625 252 H ASP 34 H ASP 34 2.025 -0.445 0.172 253 HA ASP 34 HA ASP 34 1.971 -2.080 2.598 254 1HB ASP 34 2HB ASP 34 0.843 -3.186 0.779 255 2HB ASP 34 1HB ASP 34 2.221 -2.928 -0.286 256 H PHE 35 H PHE 35 3.737 -2.300 3.659 257 HA PHE 35 HA PHE 35 6.290 -1.576 2.486 258 1HB PHE 35 2HB PHE 35 5.486 -2.301 5.308 259 2HB PHE 35 1HB PHE 35 7.074 -1.773 4.782 260 HD1 PHE 35 1HD PHE 35 3.632 -0.733 5.484 261 HD2 PHE 35 2HD PHE 35 7.512 0.556 4.295 262 HE1 PHE 35 1HE PHE 35 2.990 1.600 5.926 263 HE2 PHE 35 2HE PHE 35 6.877 2.889 4.735 264 HZ PHE 35 HZ PHE 35 4.614 3.414 5.553 265 H THR 36 H THR 36 7.540 -3.157 1.677 266 HA THR 36 HA THR 36 7.583 -5.762 2.868 267 HB THR 36 HB THR 36 5.557 -5.800 1.379 268 HG1 THR 36 1HG THR 36 6.392 -7.730 1.613 269 1HG2 THR 36 1HG2 THR 36 7.605 -5.401 -0.806 270 2HG2 THR 36 2HG2 THR 36 6.342 -4.254 -0.348 271 3HG2 THR 36 3HG2 THR 36 5.906 -5.811 -1.056 272 H ALA 37 H ALA 37 9.030 -7.165 1.283 273 HA ALA 37 HA ALA 37 11.040 -5.486 -0.028 274 1HB ALA 37 1HB ALA 37 11.607 -7.850 1.773 275 2HB ALA 37 2HB ALA 37 11.966 -6.164 2.141 276 3HB ALA 37 3HB ALA 37 12.810 -6.981 0.827 277 H SER 38 H SER 38 11.897 -6.405 -1.864 278 HA SER 38 HA SER 38 10.170 -8.118 -3.265 279 1HB SER 38 2HB SER 38 11.569 -6.385 -4.349 280 2HB SER 38 1HB SER 38 13.011 -7.318 -3.981 281 HG SER 38 HG SER 38 12.670 -8.330 -5.753 282 H TRP 39 H TRP 39 12.911 -8.848 -1.262 283 HA TRP 39 HA TRP 39 13.234 -11.495 -2.342 284 1HB TRP 39 2HB TRP 39 14.944 -11.821 -0.514 285 2HB TRP 39 1HB TRP 39 15.251 -10.452 -1.555 286 HD1 TRP 39 HD TRP 39 15.523 -8.204 -0.442 287 HE1 TRP 39 1HE TRP 39 15.524 -7.324 1.997 288 HE3 TRP 39 3HE TRP 39 13.655 -12.328 1.878 289 HZ2 TRP 39 2HZ TRP 39 14.812 -8.280 4.543 290 HZ3 TRP 39 3HZ TRP 39 13.345 -12.277 4.314 291 HH2 TRP 39 HH TRP 39 13.912 -10.292 5.619 292 H CYS 40 H CYS 40 10.806 -10.382 -0.665 293 HA CYS 40 HA CYS 40 10.627 -12.535 1.284 294 1HB CYS 40 2HB CYS 40 9.995 -10.345 2.049 295 2HB CYS 40 1HB CYS 40 8.877 -10.140 0.712 296 H GLY 41 H GLY 41 9.624 -14.375 0.870 297 1HA GLY 41 2HA GLY 41 8.541 -15.020 -1.662 298 2HA GLY 41 1HA GLY 41 8.501 -16.034 -0.234 299 HA PRO 42 HA PRO 42 4.147 -15.422 0.465 300 1HB PRO 42 2HB PRO 42 3.938 -13.936 2.817 301 2HB PRO 42 1HB PRO 42 4.121 -15.691 2.744 302 1HG PRO 42 2HG PRO 42 6.196 -13.584 3.188 303 2HG PRO 42 1HG PRO 42 6.032 -15.171 3.961 304 1HD PRO 42 2HD PRO 42 7.836 -14.757 2.043 305 2HD PRO 42 1HD PRO 42 6.934 -16.288 2.125 306 H CYS 43 H CYS 43 6.099 -12.594 0.873 307 HA CYS 43 HA CYS 43 4.108 -10.632 0.492 308 1HB CYS 43 2HB CYS 43 7.049 -10.513 -0.083 309 2HB CYS 43 1HB CYS 43 5.976 -9.132 0.119 310 H ARG 44 H ARG 44 6.286 -12.355 -1.747 311 HA ARG 44 HA ARG 44 5.467 -10.894 -4.043 312 1HB ARG 44 2HB ARG 44 7.611 -12.242 -3.790 313 2HB ARG 44 1HB ARG 44 6.638 -13.693 -3.850 314 1HG ARG 44 2HG ARG 44 6.901 -11.692 -6.104 315 2HG ARG 44 1HG ARG 44 7.830 -13.177 -5.958 316 1HD ARG 44 2HD ARG 44 4.835 -12.934 -6.302 317 2HD ARG 44 1HD ARG 44 5.983 -13.451 -7.534 318 HE ARG 44 HE ARG 44 6.428 -15.221 -5.598 319 1HH1 ARG 44 1HH1 ARG 44 3.393 -14.108 -7.057 320 2HH1 ARG 44 2HH1 ARG 44 2.548 -15.567 -6.842 321 1HH2 ARG 44 1HH2 ARG 44 5.282 -17.253 -5.272 322 2HH2 ARG 44 2HH2 ARG 44 3.677 -17.429 -5.800 323 H PHE 45 H PHE 45 4.475 -13.773 -2.379 324 HA PHE 45 HA PHE 45 2.639 -14.791 -4.232 325 1HB PHE 45 2HB PHE 45 3.507 -16.141 -2.421 326 2HB PHE 45 1HB PHE 45 2.769 -15.086 -1.231 327 HD1 PHE 45 1HD PHE 45 1.997 -17.468 -3.957 328 HD2 PHE 45 2HD PHE 45 0.600 -15.489 -0.460 329 HE1 PHE 45 1HE PHE 45 0.002 -18.912 -3.936 330 HE2 PHE 45 2HE PHE 45 -1.391 -16.923 -0.433 331 HZ PHE 45 HZ PHE 45 -1.690 -18.638 -2.172 332 H ILE 46 H ILE 46 2.266 -12.265 -1.816 333 HA ILE 46 HA ILE 46 -0.618 -12.240 -2.169 334 HB ILE 46 HB ILE 46 0.494 -11.797 0.081 335 1HG1 ILE 46 2HG1 ILE 46 -0.989 -9.890 0.729 336 2HG1 ILE 46 1HG1 ILE 46 -1.376 -9.667 -0.978 337 1HG2 ILE 46 1HG2 ILE 46 1.362 -9.567 0.556 338 2HG2 ILE 46 2HG2 ILE 46 1.194 -9.145 -1.148 339 3HG2 ILE 46 3HG2 ILE 46 2.324 -10.403 -0.664 340 1HD1 ILE 46 1HD1 ILE 46 -1.902 -12.097 0.687 341 2HD1 ILE 46 2HD1 ILE 46 -2.327 -11.927 -1.024 342 3HD1 ILE 46 3HD1 ILE 46 -3.103 -10.904 0.194 343 H ALA 47 H ALA 47 2.010 -10.986 -3.779 344 HA ALA 47 HA ALA 47 1.224 -8.375 -4.401 345 1HB ALA 47 1HB ALA 47 2.914 -8.361 -6.121 346 2HB ALA 47 2HB ALA 47 2.975 -10.119 -6.122 347 3HB ALA 47 3HB ALA 47 3.536 -9.223 -4.711 348 HA PRO 48 HA PRO 48 -0.666 -10.128 -8.632 349 1HB PRO 48 2HB PRO 48 -1.968 -12.552 -8.114 350 2HB PRO 48 1HB PRO 48 -0.488 -12.357 -9.053 351 1HG PRO 48 2HG PRO 48 -0.832 -13.150 -6.203 352 2HG PRO 48 1HG PRO 48 0.349 -13.713 -7.398 353 1HD PRO 48 2HD PRO 48 1.045 -12.005 -5.479 354 2HD PRO 48 1HD PRO 48 1.705 -11.854 -7.118 355 H PHE 49 H PHE 49 -1.881 -10.869 -5.456 356 HA PHE 49 HA PHE 49 -4.613 -10.372 -6.134 357 1HB PHE 49 2HB PHE 49 -4.048 -11.893 -4.285 358 2HB PHE 49 1HB PHE 49 -3.305 -10.561 -3.406 359 HD1 PHE 49 1HD PHE 49 -6.530 -11.594 -4.935 360 HD2 PHE 49 2HD PHE 49 -4.576 -9.377 -1.882 361 HE1 PHE 49 1HE PHE 49 -8.708 -11.089 -3.917 362 HE2 PHE 49 2HE PHE 49 -6.749 -8.872 -0.859 363 HZ PHE 49 HZ PHE 49 -8.817 -9.725 -1.878 364 H PHE 50 H PHE 50 -2.085 -8.560 -4.469 365 HA PHE 50 HA PHE 50 -3.583 -6.152 -4.010 366 1HB PHE 50 2HB PHE 50 -1.398 -6.765 -2.903 367 2HB PHE 50 1HB PHE 50 -0.599 -6.517 -4.442 368 HD1 PHE 50 1HD PHE 50 -0.134 -4.295 -5.251 369 HD2 PHE 50 2HD PHE 50 -2.279 -4.888 -1.627 370 HE1 PHE 50 1HE PHE 50 0.209 -1.938 -4.667 371 HE2 PHE 50 2HE PHE 50 -1.939 -2.523 -1.038 372 HZ PHE 50 HZ PHE 50 -0.689 -1.047 -2.565 373 H ALA 51 H ALA 51 -1.773 -7.355 -6.735 374 HA ALA 51 HA ALA 51 -1.897 -5.018 -8.316 375 1HB ALA 51 1HB ALA 51 -1.401 -6.489 -10.210 376 2HB ALA 51 2HB ALA 51 -1.759 -7.899 -9.210 377 3HB ALA 51 3HB ALA 51 -0.378 -6.872 -8.824 378 H ASP 52 H ASP 52 -4.148 -7.620 -7.729 379 HA ASP 52 HA ASP 52 -6.040 -7.079 -9.788 380 1HB ASP 52 2HB ASP 52 -6.005 -9.138 -8.356 381 2HB ASP 52 1HB ASP 52 -6.525 -8.155 -7.023 382 H LEU 53 H LEU 53 -5.807 -6.136 -6.432 383 HA LEU 53 HA LEU 53 -7.878 -4.355 -6.223 384 1HB LEU 53 2HB LEU 53 -5.258 -4.752 -5.003 385 2HB LEU 53 1HB LEU 53 -5.961 -3.238 -4.615 386 HG LEU 53 HG LEU 53 -7.939 -4.596 -3.747 387 1HD1 LEU 53 1HD1 LEU 53 -5.987 -6.851 -4.037 388 2HD1 LEU 53 2HD1 LEU 53 -7.518 -6.670 -4.891 389 3HD1 LEU 53 3HD1 LEU 53 -7.503 -6.913 -3.143 390 1HD2 LEU 53 1HD2 LEU 53 -6.340 -3.545 -2.275 391 2HD2 LEU 53 2HD2 LEU 53 -5.247 -4.917 -2.443 392 3HD2 LEU 53 3HD2 LEU 53 -6.804 -5.121 -1.638 393 H ALA 54 H ALA 54 -4.594 -3.784 -7.366 394 HA ALA 54 HA ALA 54 -4.856 -1.032 -7.828 395 1HB ALA 54 1HB ALA 54 -2.847 -1.216 -9.180 396 2HB ALA 54 2HB ALA 54 -3.045 -2.968 -9.262 397 3HB ALA 54 3HB ALA 54 -2.696 -2.191 -7.718 398 H LYS 55 H LYS 55 -5.749 -3.749 -9.771 399 HA LYS 55 HA LYS 55 -6.216 -2.226 -12.157 400 1HB LYS 55 2HB LYS 55 -5.606 -4.611 -12.186 401 2HB LYS 55 1HB LYS 55 -7.089 -4.999 -11.339 402 1HG LYS 55 2HG LYS 55 -8.358 -4.114 -13.278 403 2HG LYS 55 1HG LYS 55 -6.824 -3.890 -14.119 404 1HD LYS 55 2HD LYS 55 -6.364 -6.283 -13.916 405 2HD LYS 55 1HD LYS 55 -7.908 -6.508 -13.086 406 1HE LYS 55 2HE LYS 55 -9.045 -5.611 -15.103 407 2HE LYS 55 1HE LYS 55 -7.485 -5.539 -15.902 408 1HZ LYS 55 1HZ LYS 55 -7.287 -7.969 -15.603 409 2HZ LYS 55 2HZ LYS 55 -8.632 -7.528 -16.511 410 3HZ LYS 55 3HZ LYS 55 -8.828 -7.983 -14.906 411 H LYS 56 H LYS 56 -7.973 -3.021 -9.286 412 HA LYS 56 HA LYS 56 -10.574 -2.620 -10.547 413 1HB LYS 56 2HB LYS 56 -10.288 -4.597 -9.224 414 2HB LYS 56 1HB LYS 56 -9.812 -3.647 -7.827 415 1HG LYS 56 2HG LYS 56 -12.072 -2.656 -7.763 416 2HG LYS 56 1HG LYS 56 -12.526 -3.665 -9.138 417 1HD LYS 56 2HD LYS 56 -11.590 -4.697 -6.453 418 2HD LYS 56 1HD LYS 56 -13.271 -4.611 -6.970 419 1HE LYS 56 2HE LYS 56 -12.802 -6.163 -8.793 420 2HE LYS 56 1HE LYS 56 -11.103 -6.234 -8.322 421 1HZ LYS 56 1HZ LYS 56 -12.385 -8.129 -7.495 422 2HZ LYS 56 2HZ LYS 56 -13.359 -7.078 -6.579 423 3HZ LYS 56 3HZ LYS 56 -11.728 -7.214 -6.256 424 H LEU 57 H LEU 57 -8.579 -1.080 -7.955 425 HA LEU 57 HA LEU 57 -10.911 0.435 -7.250 426 1HB LEU 57 2HB LEU 57 -8.256 0.138 -5.900 427 2HB LEU 57 1HB LEU 57 -9.549 1.170 -5.322 428 HG LEU 57 HG LEU 57 -9.810 -1.777 -5.754 429 1HD1 LEU 57 1HD1 LEU 57 -8.199 -1.303 -3.945 430 2HD1 LEU 57 2HD1 LEU 57 -9.692 -1.983 -3.298 431 3HD1 LEU 57 3HD1 LEU 57 -9.385 -0.254 -3.163 432 1HD2 LEU 57 1HD2 LEU 57 -11.596 0.204 -4.351 433 2HD2 LEU 57 2HD2 LEU 57 -11.833 -1.542 -4.367 434 3HD2 LEU 57 3HD2 LEU 57 -11.937 -0.632 -5.869 435 HA PRO 58 HA PRO 58 -9.538 3.921 -9.638 436 1HB PRO 58 2HB PRO 58 -11.818 5.302 -9.472 437 2HB PRO 58 1HB PRO 58 -11.688 3.838 -10.453 438 1HG PRO 58 2HG PRO 58 -12.830 4.164 -7.700 439 2HG PRO 58 1HG PRO 58 -13.500 3.283 -9.086 440 1HD PRO 58 2HD PRO 58 -12.130 1.993 -7.086 441 2HD PRO 58 1HD PRO 58 -12.133 1.472 -8.771 442 H ASN 59 H ASN 59 -10.839 4.171 -6.324 443 HA ASN 59 HA ASN 59 -10.024 7.000 -6.135 444 1HB ASN 59 2HB ASN 59 -12.298 6.096 -5.313 445 2HB ASN 59 1HB ASN 59 -11.381 5.298 -4.052 446 1HD2 ASN 59 1HD2 ASN 59 -13.502 7.252 -3.825 447 2HD2 ASN 59 2HD2 ASN 59 -12.878 8.593 -2.947 448 H VAL 60 H VAL 60 -8.638 4.056 -5.751 449 HA VAL 60 HA VAL 60 -7.187 4.845 -3.342 450 HB VAL 60 HB VAL 60 -7.422 2.078 -4.537 451 1HG1 VAL 60 1HG1 VAL 60 -6.265 2.989 -1.904 452 2HG1 VAL 60 2HG1 VAL 60 -5.369 2.354 -3.280 453 3HG1 VAL 60 3HG1 VAL 60 -6.483 1.309 -2.397 454 1HG2 VAL 60 1HG2 VAL 60 -8.885 1.611 -2.574 455 2HG2 VAL 60 2HG2 VAL 60 -9.568 2.746 -3.730 456 3HG2 VAL 60 3HG2 VAL 60 -8.895 3.344 -2.222 457 H LEU 61 H LEU 61 -5.144 5.270 -3.441 458 HA LEU 61 HA LEU 61 -3.619 4.793 -5.902 459 1HB LEU 61 2HB LEU 61 -3.653 7.077 -4.845 460 2HB LEU 61 1HB LEU 61 -2.917 6.387 -3.416 461 HG LEU 61 HG LEU 61 -0.916 5.810 -4.773 462 1HD1 LEU 61 1HD1 LEU 61 -0.646 6.831 -6.975 463 2HD1 LEU 61 2HD1 LEU 61 -2.320 7.379 -6.928 464 3HD1 LEU 61 3HD1 LEU 61 -1.956 5.654 -6.960 465 1HD2 LEU 61 1HD2 LEU 61 -0.081 8.103 -4.959 466 2HD2 LEU 61 2HD2 LEU 61 -0.972 7.856 -3.460 467 3HD2 LEU 61 3HD2 LEU 61 -1.726 8.716 -4.805 468 H PHE 62 H PHE 62 -1.931 3.284 -5.863 469 HA PHE 62 HA PHE 62 -1.858 1.645 -3.404 470 1HB PHE 62 2HB PHE 62 -1.080 0.717 -6.124 471 2HB PHE 62 1HB PHE 62 -1.587 -0.243 -4.755 472 HD1 PHE 62 1HD PHE 62 -3.954 -0.426 -4.121 473 HD2 PHE 62 2HD PHE 62 -2.747 1.736 -7.575 474 HE1 PHE 62 1HE PHE 62 -6.272 -0.415 -4.924 475 HE2 PHE 62 2HE PHE 62 -5.058 1.752 -8.386 476 HZ PHE 62 HZ PHE 62 -6.817 0.689 -7.081 477 H LEU 63 H LEU 63 0.145 1.417 -2.515 478 HA LEU 63 HA LEU 63 2.515 1.950 -4.137 479 1HB LEU 63 2HB LEU 63 1.959 3.002 -1.386 480 2HB LEU 63 1HB LEU 63 3.570 2.871 -2.034 481 HG LEU 63 HG LEU 63 2.826 4.442 -3.876 482 1HD1 LEU 63 1HD1 LEU 63 0.467 4.860 -2.067 483 2HD1 LEU 63 2HD1 LEU 63 0.433 4.188 -3.696 484 3HD1 LEU 63 3HD1 LEU 63 0.903 5.871 -3.444 485 1HD2 LEU 63 1HD2 LEU 63 4.203 5.170 -2.029 486 2HD2 LEU 63 2HD2 LEU 63 2.769 5.435 -1.038 487 3HD2 LEU 63 3HD2 LEU 63 3.050 6.426 -2.468 488 H LYS 64 H LYS 64 4.281 0.696 -3.791 489 HA LYS 64 HA LYS 64 4.190 -1.309 -1.703 490 1HB LYS 64 2HB LYS 64 5.362 -1.238 -4.468 491 2HB LYS 64 1HB LYS 64 5.692 -2.481 -3.288 492 1HG LYS 64 2HG LYS 64 2.961 -1.809 -4.327 493 2HG LYS 64 1HG LYS 64 3.965 -3.071 -5.048 494 1HD LYS 64 2HD LYS 64 3.003 -3.009 -2.181 495 2HD LYS 64 1HD LYS 64 2.223 -3.912 -3.480 496 1HE LYS 64 2HE LYS 64 4.280 -5.185 -3.819 497 2HE LYS 64 1HE LYS 64 5.053 -4.295 -2.510 498 1HZ LYS 64 1HZ LYS 64 3.473 -5.223 -0.955 499 2HZ LYS 64 2HZ LYS 64 4.240 -6.445 -1.793 500 3HZ LYS 64 3HZ LYS 64 2.658 -6.033 -2.194 501 H VAL 65 H VAL 65 5.664 -0.714 -0.215 502 HA VAL 65 HA VAL 65 7.893 0.980 -1.092 503 HB VAL 65 HB VAL 65 6.732 0.621 1.689 504 1HG1 VAL 65 1HG1 VAL 65 8.223 2.445 2.342 505 2HG1 VAL 65 2HG1 VAL 65 8.916 2.463 0.719 506 3HG1 VAL 65 3HG1 VAL 65 9.137 1.055 1.756 507 1HG2 VAL 65 1HG2 VAL 65 6.612 2.964 -0.205 508 2HG2 VAL 65 2HG2 VAL 65 5.977 2.935 1.440 509 3HG2 VAL 65 3HG2 VAL 65 5.279 1.889 0.204 510 H ASP 66 H ASP 66 9.764 0.006 -1.269 511 HA ASP 66 HA ASP 66 10.049 -2.642 -0.192 512 1HB ASP 66 2HB ASP 66 10.995 -2.069 -2.431 513 2HB ASP 66 1HB ASP 66 12.143 -1.039 -1.569 514 H THR 67 H THR 67 10.487 -2.979 1.654 515 HA THR 67 HA THR 67 11.390 -1.096 3.537 516 HB THR 67 HB THR 67 10.888 -3.959 3.639 517 HG1 THR 67 1HG THR 67 9.251 -2.156 3.036 518 1HG2 THR 67 1HG2 THR 67 10.927 -1.958 5.886 519 2HG2 THR 67 2HG2 THR 67 12.027 -3.333 5.663 520 3HG2 THR 67 3HG2 THR 67 10.319 -3.605 6.044 521 H ASP 68 H ASP 68 13.056 -3.348 1.532 522 HA ASP 68 HA ASP 68 15.234 -3.710 3.376 523 1HB ASP 68 2HB ASP 68 14.588 -5.447 1.668 524 2HB ASP 68 1HB ASP 68 15.140 -4.332 0.428 525 H GLU 69 H GLU 69 14.566 -2.013 0.342 526 HA GLU 69 HA GLU 69 16.946 -0.549 0.263 527 1HB GLU 69 2HB GLU 69 14.327 -0.394 -1.052 528 2HB GLU 69 1HB GLU 69 15.278 1.064 -1.036 529 1HG GLU 69 2HG GLU 69 15.775 0.035 -3.099 530 2HG GLU 69 1HG GLU 69 17.132 -0.381 -2.075 531 H LEU 70 H LEU 70 13.676 0.353 1.531 532 HA LEU 70 HA LEU 70 14.817 2.875 2.402 533 1HB LEU 70 2HB LEU 70 12.663 2.720 1.117 534 2HB LEU 70 1HB LEU 70 11.976 1.827 2.458 535 HG LEU 70 HG LEU 70 12.357 3.699 3.884 536 1HD1 LEU 70 1HD1 LEU 70 14.181 4.823 2.680 537 2HD1 LEU 70 2HD1 LEU 70 12.839 5.942 2.885 538 3HD1 LEU 70 3HD1 LEU 70 13.100 5.157 1.328 539 1HD2 LEU 70 1HD2 LEU 70 10.176 3.421 2.914 540 2HD2 LEU 70 2HD2 LEU 70 10.669 4.290 1.461 541 3HD2 LEU 70 3HD2 LEU 70 10.538 5.143 3.000 542 H LYS 71 H LYS 71 15.909 0.897 3.662 543 HA LYS 71 HA LYS 71 14.770 -0.535 5.731 544 1HB LYS 71 2HB LYS 71 17.098 -0.633 4.570 545 2HB LYS 71 1HB LYS 71 17.598 0.471 5.830 546 1HG LYS 71 2HG LYS 71 16.507 -2.310 6.231 547 2HG LYS 71 1HG LYS 71 18.196 -1.851 6.312 548 1HD LYS 71 2HD LYS 71 17.709 -0.454 8.273 549 2HD LYS 71 1HD LYS 71 16.004 -0.894 8.158 550 1HE LYS 71 2HE LYS 71 16.624 -3.267 8.463 551 2HE LYS 71 1HE LYS 71 18.305 -2.781 8.648 552 1HZ LYS 71 1HZ LYS 71 17.240 -3.123 10.774 553 2HZ LYS 71 2HZ LYS 71 16.064 -1.992 10.432 554 3HZ LYS 71 3HZ LYS 71 17.673 -1.508 10.617 555 H SER 72 H SER 72 16.424 2.656 5.956 556 HA SER 72 HA SER 72 16.173 2.735 8.790 557 1HB SER 72 2HB SER 72 16.826 4.940 6.870 558 2HB SER 72 1HB SER 72 16.988 5.065 8.619 559 HG SER 72 HG SER 72 18.245 2.917 7.336 560 H VAL 73 H VAL 73 14.312 4.305 6.212 561 HA VAL 73 HA VAL 73 12.668 5.697 8.068 562 HB VAL 73 HB VAL 73 12.164 5.105 5.127 563 1HG1 VAL 73 1HG1 VAL 73 10.053 5.539 6.261 564 2HG1 VAL 73 2HG1 VAL 73 10.490 6.895 5.222 565 3HG1 VAL 73 3HG1 VAL 73 10.725 7.006 6.967 566 1HG2 VAL 73 1HG2 VAL 73 12.826 7.439 4.791 567 2HG2 VAL 73 2HG2 VAL 73 14.125 6.501 5.531 568 3HG2 VAL 73 3HG2 VAL 73 13.151 7.586 6.518 569 H ALA 74 H ALA 74 12.375 2.600 6.406 570 HA ALA 74 HA ALA 74 9.760 2.030 7.283 571 1HB ALA 74 1HB ALA 74 11.984 0.082 6.680 572 2HB ALA 74 2HB ALA 74 10.879 0.780 5.494 573 3HB ALA 74 3HB ALA 74 10.257 -0.281 6.762 574 H SER 75 H SER 75 12.887 1.703 8.810 575 HA SER 75 HA SER 75 12.078 0.190 11.035 576 1HB SER 75 2HB SER 75 14.459 0.513 10.418 577 2HB SER 75 1HB SER 75 14.322 2.221 10.811 578 HG SER 75 HG SER 75 13.446 0.953 12.911 579 H ASP 76 H ASP 76 11.846 3.602 10.256 580 HA ASP 76 HA ASP 76 11.170 4.432 12.907 581 1HB ASP 76 2HB ASP 76 12.106 6.047 11.313 582 2HB ASP 76 1HB ASP 76 10.708 5.838 10.262 583 H TRP 77 H TRP 77 9.400 3.445 10.086 584 HA TRP 77 HA TRP 77 6.858 3.881 11.279 585 1HB TRP 77 2HB TRP 77 7.699 2.413 8.824 586 2HB TRP 77 1HB TRP 77 6.005 2.511 9.308 587 HD1 TRP 77 HD TRP 77 8.790 4.512 7.688 588 HE1 TRP 77 1HE TRP 77 7.851 6.752 6.840 589 HE3 TRP 77 3HE TRP 77 4.160 4.302 9.820 590 HZ2 TRP 77 2HZ TRP 77 5.457 8.231 7.039 591 HZ3 TRP 77 3HZ TRP 77 2.606 6.165 9.447 592 HH2 TRP 77 HH TRP 77 3.240 8.088 8.085 593 H ALA 78 H ALA 78 9.140 1.793 12.098 594 HA ALA 78 HA ALA 78 9.281 -0.030 13.419 595 1HB ALA 78 1HB ALA 78 7.366 -0.661 14.799 596 2HB ALA 78 2HB ALA 78 6.294 0.279 13.760 597 3HB ALA 78 3HB ALA 78 7.517 1.097 14.731 598 H ILE 79 H ILE 79 8.699 -0.264 10.533 599 HA ILE 79 HA ILE 79 7.080 -2.610 10.257 600 HB ILE 79 HB ILE 79 8.931 -1.309 8.243 601 1HG1 ILE 79 2HG1 ILE 79 7.163 0.238 8.926 602 2HG1 ILE 79 1HG1 ILE 79 6.880 -0.309 7.280 603 1HG2 ILE 79 1HG2 ILE 79 8.465 -3.637 7.691 604 2HG2 ILE 79 2HG2 ILE 79 7.672 -2.556 6.550 605 3HG2 ILE 79 3HG2 ILE 79 6.730 -3.339 7.820 606 1HD1 ILE 79 1HD1 ILE 79 4.810 -0.189 8.531 607 2HD1 ILE 79 2HD1 ILE 79 5.451 -1.275 9.756 608 3HD1 ILE 79 3HD1 ILE 79 5.172 -1.862 8.113 609 H GLN 80 H GLN 80 7.758 -4.490 10.816 610 HA GLN 80 HA GLN 80 10.546 -5.261 10.267 611 1HB GLN 80 2HB GLN 80 10.245 -4.755 12.693 612 2HB GLN 80 1HB GLN 80 9.032 -6.022 12.771 613 1HG GLN 80 2HG GLN 80 10.748 -7.658 12.078 614 2HG GLN 80 1HG GLN 80 11.950 -6.369 12.119 615 1HE2 GLN 80 1HE2 GLN 80 13.148 -7.348 13.723 616 2HE2 GLN 80 2HE2 GLN 80 12.594 -7.451 15.355 617 H ALA 81 H ALA 81 7.177 -6.146 10.601 618 HA ALA 81 HA ALA 81 7.777 -8.813 9.605 619 1HB ALA 81 1HB ALA 81 6.330 -8.700 11.577 620 2HB ALA 81 2HB ALA 81 5.442 -9.326 10.189 621 3HB ALA 81 3HB ALA 81 5.207 -7.655 10.706 622 H MET 82 H MET 82 7.574 -9.117 7.500 623 HA MET 82 HA MET 82 6.113 -7.092 5.990 624 1HB MET 82 2HB MET 82 8.325 -8.946 5.144 625 2HB MET 82 1HB MET 82 7.499 -7.831 4.070 626 1HG MET 82 2HG MET 82 8.318 -5.942 5.385 627 2HG MET 82 1HG MET 82 9.119 -7.061 6.488 628 1HE MET 82 1HE MET 82 11.867 -8.646 4.219 629 2HE MET 82 2HE MET 82 10.242 -9.275 4.461 630 3HE MET 82 3HE MET 82 11.141 -8.604 5.824 631 HA PRO 83 HA PRO 83 5.282 -6.757 4.251 632 1HB PRO 83 2HB PRO 83 3.087 -6.664 2.755 633 2HB PRO 83 1HB PRO 83 4.521 -7.531 2.197 634 1HG PRO 83 2HG PRO 83 1.961 -8.602 3.251 635 2HG PRO 83 1HG PRO 83 3.072 -9.298 2.063 636 1HD PRO 83 2HD PRO 83 2.907 -9.921 4.833 637 2HD PRO 83 1HD PRO 83 4.124 -10.490 3.674 638 H THR 84 H THR 84 4.158 -4.880 4.860 639 HA THR 84 HA THR 84 1.896 -5.309 6.687 640 HB THR 84 HB THR 84 3.820 -3.076 6.633 641 HG1 THR 84 1HG THR 84 4.296 -5.428 7.541 642 1HG2 THR 84 1HG2 THR 84 1.669 -3.752 8.645 643 2HG2 THR 84 2HG2 THR 84 1.667 -2.395 7.523 644 3HG2 THR 84 3HG2 THR 84 2.835 -2.444 8.842 645 H PHE 85 H PHE 85 0.004 -4.443 5.982 646 HA PHE 85 HA PHE 85 0.129 -2.658 3.699 647 1HB PHE 85 2HB PHE 85 -2.112 -4.309 4.878 648 2HB PHE 85 1HB PHE 85 -2.237 -3.259 3.492 649 HD1 PHE 85 1HD PHE 85 -1.460 -3.958 1.337 650 HD2 PHE 85 2HD PHE 85 -0.848 -6.413 4.761 651 HE1 PHE 85 1HE PHE 85 -0.862 -5.845 -0.125 652 HE2 PHE 85 2HE PHE 85 -0.242 -8.298 3.304 653 HZ PHE 85 HZ PHE 85 -0.248 -8.010 0.854 654 H MET 86 H MET 86 -0.181 -0.634 4.175 655 HA MET 86 HA MET 86 -1.646 0.092 6.604 656 1HB MET 86 2HB MET 86 0.652 0.762 6.596 657 2HB MET 86 1HB MET 86 0.472 1.486 5.008 658 1HG MET 86 2HG MET 86 -0.988 3.177 5.969 659 2HG MET 86 1HG MET 86 -0.793 2.509 7.577 660 1HE MET 86 1HE MET 86 1.348 5.750 7.766 661 2HE MET 86 2HE MET 86 0.067 4.799 8.516 662 3HE MET 86 3HE MET 86 -0.182 5.506 6.919 663 H PHE 87 H PHE 87 -3.573 0.937 6.263 664 HA PHE 87 HA PHE 87 -4.298 1.826 3.619 665 1HB PHE 87 2HB PHE 87 -5.786 0.721 5.958 666 2HB PHE 87 1HB PHE 87 -6.572 1.423 4.566 667 HD1 PHE 87 1HD PHE 87 -6.631 0.199 2.456 668 HD2 PHE 87 2HD PHE 87 -4.642 -1.411 5.857 669 HE1 PHE 87 1HE PHE 87 -6.559 -2.001 1.367 670 HE2 PHE 87 2HE PHE 87 -4.561 -3.616 4.766 671 HZ PHE 87 HZ PHE 87 -5.525 -3.910 2.520 672 H LEU 88 H LEU 88 -4.504 3.962 3.441 673 HA LEU 88 HA LEU 88 -5.350 5.363 5.833 674 1HB LEU 88 2HB LEU 88 -3.762 6.572 3.530 675 2HB LEU 88 1HB LEU 88 -4.259 7.406 4.965 676 HG LEU 88 HG LEU 88 -2.665 5.846 6.241 677 1HD1 LEU 88 1HD1 LEU 88 -1.669 5.313 3.456 678 2HD1 LEU 88 2HD1 LEU 88 -2.386 4.132 4.550 679 3HD1 LEU 88 3HD1 LEU 88 -0.840 4.893 4.948 680 1HD2 LEU 88 1HD2 LEU 88 -2.180 8.189 5.814 681 2HD2 LEU 88 2HD2 LEU 88 -1.565 7.783 4.212 682 3HD2 LEU 88 3HD2 LEU 88 -0.718 7.215 5.651 683 H LYS 89 H LYS 89 -6.677 7.351 5.167 684 HA LYS 89 HA LYS 89 -7.870 7.084 2.514 685 1HB LYS 89 2HB LYS 89 -9.420 6.047 4.055 686 2HB LYS 89 1HB LYS 89 -9.349 7.456 5.101 687 1HG LYS 89 2HG LYS 89 -10.505 8.791 3.444 688 2HG LYS 89 1HG LYS 89 -10.469 7.450 2.294 689 1HD LYS 89 2HD LYS 89 -11.865 6.114 3.795 690 2HD LYS 89 1HD LYS 89 -11.868 7.421 4.975 691 1HE LYS 89 2HE LYS 89 -12.962 7.668 2.172 692 2HE LYS 89 1HE LYS 89 -13.941 7.254 3.574 693 1HZ LYS 89 1HZ LYS 89 -14.069 9.608 3.034 694 2HZ LYS 89 2HZ LYS 89 -12.431 9.840 3.252 695 3HZ LYS 89 3HZ LYS 89 -13.407 9.384 4.547 696 H GLU 90 H GLU 90 -7.502 8.810 1.466 697 HA GLU 90 HA GLU 90 -7.316 10.829 0.824 698 1HB GLU 90 2HB GLU 90 -8.860 11.455 3.302 699 2HB GLU 90 1HB GLU 90 -8.613 12.616 1.996 700 1HG GLU 90 2HG GLU 90 -9.801 11.177 0.462 701 2HG GLU 90 1HG GLU 90 -9.988 9.949 1.714 702 H GLY 91 H GLY 91 -5.321 9.691 2.568 703 1HA GLY 91 2HA GLY 91 -3.186 10.509 3.140 704 2HA GLY 91 1HA GLY 91 -3.881 12.110 3.323 705 H LYS 92 H LYS 92 -6.008 10.345 4.991 706 HA LYS 92 HA LYS 92 -4.554 10.716 7.505 707 1HB LYS 92 2HB LYS 92 -6.720 11.836 7.336 708 2HB LYS 92 1HB LYS 92 -7.507 10.318 6.944 709 1HG LYS 92 2HG LYS 92 -6.923 9.457 9.188 710 2HG LYS 92 1HG LYS 92 -6.181 11.007 9.566 711 1HD LYS 92 2HD LYS 92 -9.093 10.600 8.852 712 2HD LYS 92 1HD LYS 92 -8.472 10.798 10.487 713 1HE LYS 92 2HE LYS 92 -7.631 13.011 9.894 714 2HE LYS 92 1HE LYS 92 -8.251 12.824 8.260 715 1HZ LYS 92 1HZ LYS 92 -10.492 12.662 9.185 716 2HZ LYS 92 2HZ LYS 92 -9.769 14.117 9.628 717 3HZ LYS 92 3HZ LYS 92 -9.878 12.876 10.741 718 H ILE 93 H ILE 93 -3.984 9.001 8.717 719 HA ILE 93 HA ILE 93 -4.010 6.369 7.647 720 HB ILE 93 HB ILE 93 -3.404 7.284 10.477 721 1HG1 ILE 93 2HG1 ILE 93 -1.513 6.621 8.232 722 2HG1 ILE 93 1HG1 ILE 93 -1.962 8.261 8.631 723 1HG2 ILE 93 1HG2 ILE 93 -2.177 5.150 10.701 724 2HG2 ILE 93 2HG2 ILE 93 -2.736 4.668 9.101 725 3HG2 ILE 93 3HG2 ILE 93 -3.897 4.889 10.409 726 1HD1 ILE 93 1HD1 ILE 93 0.196 7.709 9.569 727 2HD1 ILE 93 2HD1 ILE 93 -0.488 6.306 10.390 728 3HD1 ILE 93 3HD1 ILE 93 -0.966 7.936 10.873 729 H LEU 94 H LEU 94 -5.559 4.781 7.768 730 HA LEU 94 HA LEU 94 -7.622 5.166 9.767 731 1HB LEU 94 2HB LEU 94 -7.634 3.650 7.195 732 2HB LEU 94 1HB LEU 94 -8.893 3.504 8.379 733 HG LEU 94 HG LEU 94 -8.190 5.909 6.713 734 1HD1 LEU 94 1HD1 LEU 94 -10.501 5.633 5.925 735 2HD1 LEU 94 2HD1 LEU 94 -10.648 4.181 6.920 736 3HD1 LEU 94 3HD1 LEU 94 -9.496 4.228 5.588 737 1HD2 LEU 94 1HD2 LEU 94 -10.051 7.067 7.832 738 2HD2 LEU 94 2HD2 LEU 94 -8.743 6.703 8.947 739 3HD2 LEU 94 3HD2 LEU 94 -10.209 5.718 8.958 740 H ASP 95 H ASP 95 -5.962 2.474 8.104 741 HA ASP 95 HA ASP 95 -5.696 1.119 10.614 742 1HB ASP 95 2HB ASP 95 -6.811 -0.876 9.778 743 2HB ASP 95 1HB ASP 95 -7.949 0.379 10.233 744 H LYS 96 H LYS 96 -4.622 -0.909 10.452 745 HA LYS 96 HA LYS 96 -3.005 -1.174 8.015 746 1HB LYS 96 2HB LYS 96 -0.962 -1.453 9.347 747 2HB LYS 96 1HB LYS 96 -1.665 0.145 9.566 748 1HG LYS 96 2HG LYS 96 -2.611 -0.534 11.690 749 2HG LYS 96 1HG LYS 96 -1.997 -2.164 11.461 750 1HD LYS 96 2HD LYS 96 0.301 -1.287 11.478 751 2HD LYS 96 1HD LYS 96 -0.333 0.340 11.745 752 1HE LYS 96 2HE LYS 96 0.404 -0.683 13.846 753 2HE LYS 96 1HE LYS 96 -1.329 -0.381 13.860 754 1HZ LYS 96 1HZ LYS 96 -0.836 -2.553 14.753 755 2HZ LYS 96 2HZ LYS 96 -0.014 -3.003 13.363 756 3HZ LYS 96 3HZ LYS 96 -1.675 -2.743 13.313 757 H VAL 97 H VAL 97 -2.259 -3.211 7.579 758 HA VAL 97 HA VAL 97 -3.172 -5.378 9.332 759 HB VAL 97 HB VAL 97 -2.866 -5.443 6.302 760 1HG1 VAL 97 1HG1 VAL 97 -3.842 -7.691 6.411 761 2HG1 VAL 97 2HG1 VAL 97 -3.839 -7.600 8.172 762 3HG1 VAL 97 3HG1 VAL 97 -2.312 -7.596 7.288 763 1HG2 VAL 97 1HG2 VAL 97 -4.845 -4.193 6.995 764 2HG2 VAL 97 2HG2 VAL 97 -5.360 -5.554 7.995 765 3HG2 VAL 97 3HG2 VAL 97 -5.298 -5.723 6.241 766 H VAL 98 H VAL 98 -1.481 -6.459 10.196 767 HA VAL 98 HA VAL 98 1.103 -6.149 8.882 768 HB VAL 98 HB VAL 98 1.023 -5.284 11.163 769 1HG1 VAL 98 1HG1 VAL 98 -0.681 -6.672 12.145 770 2HG1 VAL 98 2HG1 VAL 98 0.791 -6.743 13.118 771 3HG1 VAL 98 3HG1 VAL 98 0.375 -8.081 12.051 772 1HG2 VAL 98 1HG2 VAL 98 3.150 -6.137 10.372 773 2HG2 VAL 98 2HG2 VAL 98 2.738 -7.753 10.937 774 3HG2 VAL 98 3HG2 VAL 98 2.986 -6.450 12.099 775 H GLY 99 H GLY 99 1.894 -7.765 7.767 776 1HA GLY 99 2HA GLY 99 2.707 -9.951 7.568 777 2HA GLY 99 1HA GLY 99 1.476 -10.498 8.707 778 H ALA 100 H ALA 100 2.064 -11.523 6.000 779 HA ALA 100 HA ALA 100 -0.090 -10.566 4.340 780 1HB ALA 100 1HB ALA 100 1.962 -11.467 3.333 781 2HB ALA 100 2HB ALA 100 0.546 -12.394 2.841 782 3HB ALA 100 3HB ALA 100 1.635 -13.035 4.070 783 H LYS 101 H LYS 101 -2.010 -10.898 5.080 784 HA LYS 101 HA LYS 101 -2.756 -13.620 5.698 785 1HB LYS 101 2HB LYS 101 -3.618 -11.046 6.963 786 2HB LYS 101 1HB LYS 101 -4.544 -12.538 7.126 787 1HG LYS 101 2HG LYS 101 -2.614 -13.641 8.168 788 2HG LYS 101 1HG LYS 101 -1.665 -12.188 7.919 789 1HD LYS 101 2HD LYS 101 -4.133 -12.259 9.493 790 2HD LYS 101 1HD LYS 101 -2.536 -12.571 10.199 791 1HE LYS 101 2HE LYS 101 -1.819 -10.322 9.412 792 2HE LYS 101 1HE LYS 101 -3.444 -10.044 8.791 793 1HZ LYS 101 1HZ LYS 101 -4.321 -10.142 10.986 794 2HZ LYS 101 2HZ LYS 101 -3.067 -9.027 10.975 795 3HZ LYS 101 3HZ LYS 101 -2.829 -10.542 11.662 796 H LYS 102 H LYS 102 -3.977 -14.353 4.045 797 HA LYS 102 HA LYS 102 -4.714 -12.627 2.045 798 1HB LYS 102 2HB LYS 102 -5.206 -15.532 2.554 799 2HB LYS 102 1HB LYS 102 -5.718 -14.695 1.112 800 1HG LYS 102 2HG LYS 102 -3.684 -15.793 0.542 801 2HG LYS 102 1HG LYS 102 -3.288 -14.096 0.705 802 1HD LYS 102 2HD LYS 102 -1.531 -15.379 1.736 803 2HD LYS 102 1HD LYS 102 -2.443 -14.602 3.026 804 1HE LYS 102 2HE LYS 102 -3.685 -16.732 3.379 805 2HE LYS 102 1HE LYS 102 -2.722 -17.471 2.112 806 1HZ LYS 102 1HZ LYS 102 -1.632 -16.411 4.687 807 2HZ LYS 102 2HZ LYS 102 -0.724 -17.086 3.475 808 3HZ LYS 102 3HZ LYS 102 -1.835 -18.024 4.291 809 H ASP 103 H ASP 103 -6.566 -14.495 4.420 810 HA ASP 103 HA ASP 103 -9.062 -13.602 3.386 811 1HB ASP 103 2HB ASP 103 -10.101 -14.715 5.309 812 2HB ASP 103 1HB ASP 103 -8.899 -15.753 4.563 813 H GLU 104 H GLU 104 -7.055 -12.519 6.089 814 HA GLU 104 HA GLU 104 -9.002 -10.714 7.133 815 1HB GLU 104 2HB GLU 104 -7.041 -11.540 8.450 816 2HB GLU 104 1HB GLU 104 -5.998 -10.558 7.437 817 1HG GLU 104 2HG GLU 104 -7.193 -8.540 8.197 818 2HG GLU 104 1HG GLU 104 -8.168 -9.543 9.265 819 H LEU 105 H LEU 105 -6.447 -10.412 4.749 820 HA LEU 105 HA LEU 105 -6.488 -7.639 4.438 821 1HB LEU 105 2HB LEU 105 -4.880 -9.258 3.416 822 2HB LEU 105 1HB LEU 105 -6.137 -9.725 2.321 823 HG LEU 105 HG LEU 105 -6.266 -7.510 1.374 824 1HD1 LEU 105 1HD1 LEU 105 -4.525 -5.827 1.885 825 2HD1 LEU 105 2HD1 LEU 105 -3.941 -6.858 3.191 826 3HD1 LEU 105 3HD1 LEU 105 -5.561 -6.166 3.269 827 1HD2 LEU 105 1HD2 LEU 105 -3.470 -8.637 1.386 828 2HD2 LEU 105 2HD2 LEU 105 -4.118 -7.528 0.178 829 3HD2 LEU 105 3HD2 LEU 105 -4.798 -9.148 0.342 830 H GLN 106 H GLN 106 -8.163 -10.176 2.787 831 HA GLN 106 HA GLN 106 -9.837 -8.696 1.093 832 1HB GLN 106 2HB GLN 106 -10.422 -11.316 2.448 833 2HB GLN 106 1HB GLN 106 -11.358 -10.649 1.119 834 1HG GLN 106 2HG GLN 106 -9.463 -10.800 -0.335 835 2HG GLN 106 1HG GLN 106 -8.444 -11.347 0.995 836 1HE2 GLN 106 1HE2 GLN 106 -7.959 -13.236 -0.014 837 2HE2 GLN 106 2HE2 GLN 106 -9.073 -14.538 -0.195 838 H SER 107 H SER 107 -10.380 -9.644 4.446 839 HA SER 107 HA SER 107 -13.022 -8.602 4.548 840 1HB SER 107 2HB SER 107 -11.058 -9.032 6.816 841 2HB SER 107 1HB SER 107 -12.807 -8.857 6.976 842 HG SER 107 HG SER 107 -12.298 -10.744 5.185 843 H THR 108 H THR 108 -9.852 -7.293 5.229 844 HA THR 108 HA THR 108 -10.725 -4.811 6.231 845 HB THR 108 HB THR 108 -8.111 -5.584 4.915 846 HG1 THR 108 1HG THR 108 -8.440 -6.818 6.734 847 1HG2 THR 108 1HG2 THR 108 -8.734 -3.234 6.738 848 2HG2 THR 108 2HG2 THR 108 -8.405 -3.128 5.014 849 3HG2 THR 108 3HG2 THR 108 -7.145 -3.667 6.118 850 H ILE 109 H ILE 109 -10.073 -6.035 2.970 851 HA ILE 109 HA ILE 109 -10.264 -3.584 1.596 852 HB ILE 109 HB ILE 109 -11.035 -6.355 0.622 853 1HG1 ILE 109 2HG1 ILE 109 -8.440 -4.834 0.292 854 2HG1 ILE 109 1HG1 ILE 109 -8.693 -6.185 1.391 855 1HG2 ILE 109 1HG2 ILE 109 -11.996 -4.602 -0.774 856 2HG2 ILE 109 2HG2 ILE 109 -10.688 -5.420 -1.640 857 3HG2 ILE 109 3HG2 ILE 109 -10.415 -3.833 -0.920 858 1HD1 ILE 109 1HD1 ILE 109 -7.551 -6.888 -0.620 859 2HD1 ILE 109 2HD1 ILE 109 -8.882 -6.273 -1.603 860 3HD1 ILE 109 3HD1 ILE 109 -9.143 -7.639 -0.525 861 H ALA 110 H ALA 110 -12.695 -6.097 2.280 862 HA ALA 110 HA ALA 110 -14.863 -4.700 1.132 863 1HB ALA 110 1HB ALA 110 -16.279 -6.322 2.292 864 2HB ALA 110 2HB ALA 110 -14.907 -6.809 3.290 865 3HB ALA 110 3HB ALA 110 -14.892 -7.129 1.556 866 H LYS 111 H LYS 111 -13.447 -4.643 4.284 867 HA LYS 111 HA LYS 111 -15.328 -3.188 5.753 868 1HB LYS 111 2HB LYS 111 -13.106 -4.276 6.452 869 2HB LYS 111 1HB LYS 111 -12.432 -2.815 5.783 870 1HG LYS 111 2HG LYS 111 -13.553 -1.427 7.408 871 2HG LYS 111 1HG LYS 111 -14.353 -2.842 8.092 872 1HD LYS 111 2HD LYS 111 -12.444 -2.268 9.496 873 2HD LYS 111 1HD LYS 111 -12.130 -3.783 8.648 874 1HE LYS 111 2HE LYS 111 -10.768 -2.641 7.014 875 2HE LYS 111 1HE LYS 111 -11.122 -1.091 7.769 876 1HZ LYS 111 1HZ LYS 111 -9.666 -3.331 9.087 877 2HZ LYS 111 2HZ LYS 111 -9.983 -1.810 9.745 878 3HZ LYS 111 3HZ LYS 111 -8.964 -1.951 8.407 879 H HIS 112 H HIS 112 -12.661 -2.142 3.676 880 HA HIS 112 HA HIS 112 -13.225 0.632 3.935 881 1HB HIS 112 2HB HIS 112 -11.407 -0.966 2.189 882 2HB HIS 112 1HB HIS 112 -11.698 0.724 1.838 883 HD1 HIS 112 1HD HIS 112 -10.471 2.413 3.256 884 HD2 HIS 112 2HD HIS 112 -10.025 -1.451 4.678 885 HE1 HIS 112 1HE HIS 112 -8.620 2.524 4.946 886 HE2 HIS 112 2HE HIS 112 -8.712 0.337 6.058 887 H LEU 113 H LEU 113 -14.166 -1.861 1.501 888 HA LEU 113 HA LEU 113 -15.302 0.107 -0.132 889 1HB LEU 113 2HB LEU 113 -14.810 -2.755 -0.133 890 2HB LEU 113 1HB LEU 113 -16.104 -2.200 -1.153 891 HG LEU 113 HG LEU 113 -14.074 -2.446 -2.471 892 1HD1 LEU 113 1HD1 LEU 113 -14.599 0.478 -1.991 893 2HD1 LEU 113 2HD1 LEU 113 -15.459 -0.584 -3.103 894 3HD1 LEU 113 3HD1 LEU 113 -13.765 -0.214 -3.381 895 1HD2 LEU 113 1HD2 LEU 113 -12.014 -1.185 -1.992 896 2HD2 LEU 113 2HD2 LEU 113 -12.415 -2.300 -0.684 897 3HD2 LEU 113 3HD2 LEU 113 -12.745 -0.578 -0.505 898 H ALA 114 H ALA 114 -16.244 -0.479 2.598 899 HA ALA 114 HA ALA 114 -19.050 -1.095 2.059 900 1HB ALA 114 1HB ALA 114 -18.061 -2.214 4.014 901 2HB ALA 114 2HB ALA 114 -19.312 -1.077 4.522 902 3HB ALA 114 3HB ALA 114 -17.612 -0.647 4.687 Start of MODEL 3 1 H MET 1 H MET 1 -13.970 6.420 -23.190 2 HA MET 1 HA MET 1 -11.676 5.001 -23.972 3 1HB MET 1 2HB MET 1 -11.937 7.886 -23.067 4 2HB MET 1 1HB MET 1 -10.474 7.214 -23.754 5 1HG MET 1 2HG MET 1 -11.598 8.456 -25.447 6 2HG MET 1 1HG MET 1 -11.741 6.750 -25.844 7 1HE MET 1 1HE MET 1 -15.086 8.167 -27.239 8 2HE MET 1 2HE MET 1 -13.659 7.184 -27.573 9 3HE MET 1 3HE MET 1 -13.488 8.913 -27.282 10 H ALA 2 H ALA 2 -10.074 4.153 -22.835 11 HA ALA 2 HA ALA 2 -10.413 3.821 -20.055 12 1HB ALA 2 1HB ALA 2 -9.455 2.093 -21.463 13 2HB ALA 2 2HB ALA 2 -8.352 2.543 -20.150 14 3HB ALA 2 3HB ALA 2 -8.061 3.126 -21.786 15 H SER 3 H SER 3 -9.056 4.408 -18.364 16 HA SER 3 HA SER 3 -7.477 6.817 -18.835 17 1HB SER 3 2HB SER 3 -9.551 7.119 -17.430 18 2HB SER 3 1HB SER 3 -8.925 5.914 -16.310 19 HG SER 3 HG SER 3 -8.298 8.550 -16.592 20 H GLU 4 H GLU 4 -6.118 6.765 -16.442 21 HA GLU 4 HA GLU 4 -4.406 4.474 -16.930 22 1HB GLU 4 2HB GLU 4 -3.364 6.681 -17.015 23 2HB GLU 4 1HB GLU 4 -3.881 7.009 -15.373 24 1HG GLU 4 2HG GLU 4 -2.413 5.321 -14.519 25 2HG GLU 4 1HG GLU 4 -2.000 4.812 -16.159 26 H GLU 5 H GLU 5 -5.218 2.806 -15.929 27 HA GLU 5 HA GLU 5 -5.774 2.943 -13.043 28 1HB GLU 5 2HB GLU 5 -7.297 1.042 -13.426 29 2HB GLU 5 1HB GLU 5 -7.766 2.433 -14.391 30 1HG GLU 5 2HG GLU 5 -6.643 1.414 -16.350 31 2HG GLU 5 1HG GLU 5 -6.279 -0.003 -15.373 32 H GLY 6 H GLY 6 -5.025 1.089 -11.798 33 1HA GLY 6 2HA GLY 6 -3.874 -0.924 -11.509 34 2HA GLY 6 1HA GLY 6 -3.404 -0.876 -13.200 35 H GLN 7 H GLN 7 -2.952 2.015 -11.447 36 HA GLN 7 HA GLN 7 -0.123 1.513 -11.724 37 1HB GLN 7 2HB GLN 7 0.135 3.937 -11.291 38 2HB GLN 7 1HB GLN 7 -0.577 3.399 -12.802 39 1HG GLN 7 2HG GLN 7 -2.810 3.979 -11.948 40 2HG GLN 7 1HG GLN 7 -2.105 4.416 -10.390 41 1HE2 GLN 7 1HE2 GLN 7 -3.699 5.981 -12.278 42 2HE2 GLN 7 2HE2 GLN 7 -2.723 7.354 -12.677 43 H VAL 8 H VAL 8 1.108 1.267 -10.363 44 HA VAL 8 HA VAL 8 0.582 1.890 -7.522 45 HB VAL 8 HB VAL 8 2.286 -0.369 -8.619 46 1HG1 VAL 8 1HG1 VAL 8 1.484 0.297 -5.797 47 2HG1 VAL 8 2HG1 VAL 8 3.091 0.462 -6.501 48 3HG1 VAL 8 3HG1 VAL 8 2.370 -1.143 -6.301 49 1HG2 VAL 8 1HG2 VAL 8 -0.070 -0.842 -8.996 50 2HG2 VAL 8 2HG2 VAL 8 -0.423 -0.515 -7.300 51 3HG2 VAL 8 3HG2 VAL 8 0.577 -1.898 -7.742 52 H ILE 9 H ILE 9 2.149 3.348 -6.642 53 HA ILE 9 HA ILE 9 4.352 3.745 -8.452 54 HB ILE 9 HB ILE 9 3.479 5.511 -6.138 55 1HG1 ILE 9 2HG1 ILE 9 3.166 7.194 -8.006 56 2HG1 ILE 9 1HG1 ILE 9 3.423 5.892 -9.142 57 1HG2 ILE 9 1HG2 ILE 9 5.232 7.077 -6.873 58 2HG2 ILE 9 2HG2 ILE 9 5.801 5.881 -8.034 59 3HG2 ILE 9 3HG2 ILE 9 5.905 5.551 -6.303 60 1HD1 ILE 9 1HD1 ILE 9 1.046 6.382 -8.880 61 2HD1 ILE 9 2HD1 ILE 9 1.166 6.073 -7.150 62 3HD1 ILE 9 3HD1 ILE 9 1.417 4.758 -8.297 63 H ALA 10 H ALA 10 6.151 2.692 -8.134 64 HA ALA 10 HA ALA 10 6.714 1.610 -5.500 65 1HB ALA 10 1HB ALA 10 6.873 0.096 -7.429 66 2HB ALA 10 2HB ALA 10 8.444 0.300 -6.658 67 3HB ALA 10 3HB ALA 10 8.082 1.152 -8.157 68 H CYS 11 H CYS 11 7.756 2.975 -4.189 69 HA CYS 11 HA CYS 11 9.488 4.963 -5.323 70 1HB CYS 11 2HB CYS 11 8.661 4.466 -2.471 71 2HB CYS 11 1HB CYS 11 9.486 5.860 -3.118 72 HG CYS 11 HG CYS 11 6.408 5.053 -4.321 73 H HIS 12 H HIS 12 11.648 4.827 -5.172 74 HA HIS 12 HA HIS 12 12.718 2.630 -3.548 75 1HB HIS 12 2HB HIS 12 13.938 3.872 -6.034 76 2HB HIS 12 1HB HIS 12 14.655 2.579 -5.084 77 HD1 HIS 12 1HD HIS 12 13.532 0.157 -5.323 78 HD2 HIS 12 2HD HIS 12 11.931 3.105 -7.803 79 HE1 HIS 12 1HE HIS 12 12.175 -1.045 -7.020 80 HE2 HIS 12 2HE HIS 12 11.554 0.739 -8.678 81 H THR 13 H THR 13 12.137 5.734 -3.394 82 HA THR 13 HA THR 13 14.423 6.318 -1.715 83 HB THR 13 HB THR 13 14.502 8.648 -2.707 84 HG1 THR 13 1HG THR 13 13.660 8.887 -4.825 85 1HG2 THR 13 1HG2 THR 13 16.261 7.024 -3.267 86 2HG2 THR 13 2HG2 THR 13 15.899 8.048 -4.658 87 3HG2 THR 13 3HG2 THR 13 15.272 6.401 -4.590 88 H VAL 14 H VAL 14 13.886 7.969 -0.136 89 HA VAL 14 HA VAL 14 11.159 7.919 0.610 90 HB VAL 14 HB VAL 14 13.033 8.042 2.272 91 1HG1 VAL 14 1HG1 VAL 14 14.486 9.645 1.224 92 2HG1 VAL 14 2HG1 VAL 14 14.048 10.200 2.838 93 3HG1 VAL 14 3HG1 VAL 14 13.277 10.911 1.422 94 1HG2 VAL 14 1HG2 VAL 14 11.932 9.588 3.853 95 2HG2 VAL 14 2HG2 VAL 14 10.783 8.546 3.015 96 3HG2 VAL 14 3HG2 VAL 14 10.971 10.229 2.521 97 H GLU 15 H GLU 15 13.077 10.082 -1.242 98 HA GLU 15 HA GLU 15 11.636 12.474 -1.139 99 1HB GLU 15 2HB GLU 15 13.840 12.166 -2.189 100 2HB GLU 15 1HB GLU 15 13.114 11.180 -3.430 101 1HG GLU 15 2HG GLU 15 12.533 14.119 -3.041 102 2HG GLU 15 1HG GLU 15 13.757 13.492 -4.137 103 H THR 16 H THR 16 11.309 9.768 -3.397 104 HA THR 16 HA THR 16 9.047 10.858 -4.698 105 HB THR 16 HB THR 16 10.045 8.001 -4.656 106 HG1 THR 16 1HG THR 16 10.986 10.337 -5.711 107 1HG2 THR 16 1HG2 THR 16 7.751 8.224 -5.566 108 2HG2 THR 16 2HG2 THR 16 8.903 7.828 -6.844 109 3HG2 THR 16 3HG2 THR 16 8.316 9.482 -6.663 110 H TRP 17 H TRP 17 9.482 8.598 -2.068 111 HA TRP 17 HA TRP 17 6.864 7.786 -1.612 112 1HB TRP 17 2HB TRP 17 8.698 6.756 -0.452 113 2HB TRP 17 1HB TRP 17 9.216 8.302 0.194 114 HD1 TRP 17 HD TRP 17 8.559 8.762 2.581 115 HE1 TRP 17 1HE TRP 17 6.925 7.792 4.255 116 HE3 TRP 17 3HE TRP 17 6.114 5.512 -0.506 117 HZ2 TRP 17 2HZ TRP 17 4.842 5.883 4.298 118 HZ3 TRP 17 3HZ TRP 17 4.298 4.158 0.444 119 HH2 TRP 17 HH TRP 17 3.681 4.347 2.808 120 H ASN 18 H ASN 18 8.608 10.610 -0.415 121 HA ASN 18 HA ASN 18 6.588 11.855 1.072 122 1HB ASN 18 2HB ASN 18 8.996 12.433 1.148 123 2HB ASN 18 1HB ASN 18 8.889 13.063 -0.480 124 1HD2 ASN 18 1HD2 ASN 18 9.744 14.318 1.960 125 2HD2 ASN 18 2HD2 ASN 18 8.784 15.723 2.205 126 H GLU 19 H GLU 19 7.527 12.147 -2.319 127 HA GLU 19 HA GLU 19 5.922 14.296 -3.138 128 1HB GLU 19 2HB GLU 19 7.847 13.049 -4.346 129 2HB GLU 19 1HB GLU 19 6.630 11.904 -4.853 130 1HG GLU 19 2HG GLU 19 6.668 14.845 -5.558 131 2HG GLU 19 1HG GLU 19 7.259 13.555 -6.584 132 H GLN 20 H GLN 20 5.259 10.746 -3.223 133 HA GLN 20 HA GLN 20 2.766 10.957 -4.376 134 1HB GLN 20 2HB GLN 20 4.136 8.901 -2.801 135 2HB GLN 20 1HB GLN 20 2.615 8.625 -3.636 136 1HG GLN 20 2HG GLN 20 5.248 9.389 -4.892 137 2HG GLN 20 1HG GLN 20 4.527 7.788 -4.943 138 1HE2 GLN 20 1HE2 GLN 20 5.305 9.558 -7.098 139 2HE2 GLN 20 2HE2 GLN 20 3.891 9.796 -8.049 140 H LEU 21 H LEU 21 3.772 10.610 -0.876 141 HA LEU 21 HA LEU 21 1.193 10.335 0.058 142 1HB LEU 21 2HB LEU 21 3.721 11.311 1.167 143 2HB LEU 21 1HB LEU 21 2.291 11.127 2.133 144 HG LEU 21 HG LEU 21 3.933 8.966 0.808 145 1HD1 LEU 21 1HD1 LEU 21 3.354 9.588 3.696 146 2HD1 LEU 21 2HD1 LEU 21 4.873 9.882 2.847 147 3HD1 LEU 21 3HD1 LEU 21 4.316 8.232 3.105 148 1HD2 LEU 21 1HD2 LEU 21 2.393 7.349 1.838 149 2HD2 LEU 21 2HD2 LEU 21 1.563 8.354 0.657 150 3HD2 LEU 21 3HD2 LEU 21 1.361 8.671 2.382 151 H GLN 22 H GLN 22 3.298 13.113 -0.340 152 HA GLN 22 HA GLN 22 1.663 15.036 0.797 153 1HB GLN 22 2HB GLN 22 3.985 15.418 0.115 154 2HB GLN 22 1HB GLN 22 3.516 15.267 -1.573 155 1HG GLN 22 2HG GLN 22 2.107 17.253 -1.332 156 2HG GLN 22 1HG GLN 22 2.655 17.417 0.339 157 1HE2 GLN 22 1HE2 GLN 22 4.786 18.005 0.735 158 2HE2 GLN 22 2HE2 GLN 22 5.765 18.706 -0.504 159 H LYS 23 H LYS 23 1.887 13.815 -2.490 160 HA LYS 23 HA LYS 23 -0.032 15.325 -3.777 161 1HB LYS 23 2HB LYS 23 1.558 13.837 -4.882 162 2HB LYS 23 1HB LYS 23 0.767 12.445 -4.172 163 1HG LYS 23 2HG LYS 23 -1.245 12.949 -5.473 164 2HG LYS 23 1HG LYS 23 -0.410 14.322 -6.208 165 1HD LYS 23 2HD LYS 23 1.313 12.797 -7.081 166 2HD LYS 23 1HD LYS 23 0.454 11.437 -6.369 167 1HE LYS 23 2HE LYS 23 -1.486 11.930 -7.767 168 2HE LYS 23 1HE LYS 23 -0.628 13.301 -8.467 169 1HZ LYS 23 1HZ LYS 23 0.205 10.454 -8.695 170 2HZ LYS 23 2HZ LYS 23 1.019 11.778 -9.353 171 3HZ LYS 23 3HZ LYS 23 -0.512 11.381 -9.901 172 H ALA 24 H ALA 24 -0.402 12.180 -2.057 173 HA ALA 24 HA ALA 24 -3.184 12.001 -2.595 174 1HB ALA 24 1HB ALA 24 -1.556 10.580 -0.490 175 2HB ALA 24 2HB ALA 24 -1.786 10.034 -2.149 176 3HB ALA 24 3HB ALA 24 -3.163 10.118 -1.048 177 H ASN 25 H ASN 25 -1.306 13.185 0.107 178 HA ASN 25 HA ASN 25 -3.325 13.530 2.052 179 1HB ASN 25 2HB ASN 25 -0.807 13.685 2.345 180 2HB ASN 25 1HB ASN 25 -0.890 15.219 1.570 181 1HD2 ASN 25 1HD2 ASN 25 -1.570 17.049 2.652 182 2HD2 ASN 25 2HD2 ASN 25 -1.935 17.058 4.327 183 H GLU 26 H GLU 26 -1.811 15.759 -0.100 184 HA GLU 26 HA GLU 26 -3.397 18.027 0.447 185 1HB GLU 26 2HB GLU 26 -1.179 18.146 -0.573 186 2HB GLU 26 1HB GLU 26 -1.801 17.383 -2.022 187 1HG GLU 26 2HG GLU 26 -3.234 19.291 -2.426 188 2HG GLU 26 1HG GLU 26 -2.644 20.065 -0.956 189 H SER 27 H SER 27 -3.723 15.539 -2.071 190 HA SER 27 HA SER 27 -5.946 16.937 -3.235 191 1HB SER 27 2HB SER 27 -4.713 14.277 -3.864 192 2HB SER 27 1HB SER 27 -5.933 15.095 -4.838 193 HG SER 27 HG SER 27 -3.259 15.799 -4.348 194 H LYS 28 H LYS 28 -5.672 15.166 -0.516 195 HA LYS 28 HA LYS 28 -7.035 13.992 0.832 196 1HB LYS 28 2HB LYS 28 -9.069 15.334 -0.848 197 2HB LYS 28 1HB LYS 28 -9.450 14.570 0.700 198 1HG LYS 28 2HG LYS 28 -7.888 16.120 1.809 199 2HG LYS 28 1HG LYS 28 -7.594 16.913 0.263 200 1HD LYS 28 2HD LYS 28 -9.967 17.532 0.158 201 2HD LYS 28 1HD LYS 28 -10.227 16.760 1.728 202 1HE LYS 28 2HE LYS 28 -8.586 18.282 2.728 203 2HE LYS 28 1HE LYS 28 -8.365 19.055 1.162 204 1HZ LYS 28 1HZ LYS 28 -10.897 19.014 2.727 205 2HZ LYS 28 2HZ LYS 28 -10.691 19.729 1.221 206 3HZ LYS 28 3HZ LYS 28 -9.849 20.325 2.550 207 H THR 29 H THR 29 -6.033 12.653 -1.310 208 HA THR 29 HA THR 29 -8.096 10.927 -2.401 209 HB THR 29 HB THR 29 -5.165 10.872 -2.856 210 HG1 THR 29 1HG THR 29 -7.145 12.627 -3.635 211 1HG2 THR 29 1HG2 THR 29 -6.387 8.940 -3.689 212 2HG2 THR 29 2HG2 THR 29 -5.802 9.902 -5.049 213 3HG2 THR 29 3HG2 THR 29 -7.496 9.993 -4.568 214 H LEU 30 H LEU 30 -8.026 8.787 -2.017 215 HA LEU 30 HA LEU 30 -6.935 8.061 0.510 216 1HB LEU 30 2HB LEU 30 -9.260 7.446 -0.136 217 2HB LEU 30 1HB LEU 30 -8.647 6.468 -1.440 218 HG LEU 30 HG LEU 30 -8.227 5.819 1.500 219 1HD1 LEU 30 1HD1 LEU 30 -9.992 4.175 1.192 220 2HD1 LEU 30 2HD1 LEU 30 -10.269 4.775 -0.443 221 3HD1 LEU 30 3HD1 LEU 30 -10.596 5.814 0.944 222 1HD2 LEU 30 1HD2 LEU 30 -6.608 4.750 -0.031 223 2HD2 LEU 30 2HD2 LEU 30 -7.949 4.107 -0.980 224 3HD2 LEU 30 3HD2 LEU 30 -7.711 3.575 0.684 225 H VAL 31 H VAL 31 -5.154 6.573 0.756 226 HA VAL 31 HA VAL 31 -3.958 5.595 -1.693 227 HB VAL 31 HB VAL 31 -2.783 7.619 -1.040 228 1HG1 VAL 31 1HG1 VAL 31 -2.275 6.313 1.605 229 2HG1 VAL 31 2HG1 VAL 31 -3.320 7.706 1.307 230 3HG1 VAL 31 3HG1 VAL 31 -1.576 7.840 1.068 231 1HG2 VAL 31 1HG2 VAL 31 -1.137 5.174 -0.405 232 2HG2 VAL 31 2HG2 VAL 31 -0.488 6.760 -0.829 233 3HG2 VAL 31 3HG2 VAL 31 -1.432 5.842 -2.005 234 H VAL 32 H VAL 32 -3.098 3.570 -1.572 235 HA VAL 32 HA VAL 32 -3.174 2.246 1.060 236 HB VAL 32 HB VAL 32 -3.581 0.917 -1.588 237 1HG1 VAL 32 1HG1 VAL 32 -4.011 -0.129 1.213 238 2HG1 VAL 32 2HG1 VAL 32 -2.645 -0.520 0.195 239 3HG1 VAL 32 3HG1 VAL 32 -4.267 -1.058 -0.266 240 1HG2 VAL 32 1HG2 VAL 32 -5.505 2.333 -1.156 241 2HG2 VAL 32 2HG2 VAL 32 -5.677 1.640 0.457 242 3HG2 VAL 32 3HG2 VAL 32 -5.962 0.641 -0.969 243 H VAL 33 H VAL 33 -1.286 1.412 1.704 244 HA VAL 33 HA VAL 33 0.866 1.358 -0.306 245 HB VAL 33 HB VAL 33 1.180 1.899 2.646 246 1HG1 VAL 33 1HG1 VAL 33 3.119 0.867 1.629 247 2HG1 VAL 33 2HG1 VAL 33 3.466 2.538 2.055 248 3HG1 VAL 33 3HG1 VAL 33 3.144 2.103 0.372 249 1HG2 VAL 33 1HG2 VAL 33 1.642 4.233 2.017 250 2HG2 VAL 33 2HG2 VAL 33 0.002 3.755 1.591 251 3HG2 VAL 33 3HG2 VAL 33 1.240 3.857 0.343 252 H ASP 34 H ASP 34 1.947 -0.461 -0.540 253 HA ASP 34 HA ASP 34 1.577 -2.620 1.411 254 1HB ASP 34 2HB ASP 34 0.816 -3.339 -0.735 255 2HB ASP 34 1HB ASP 34 2.223 -2.661 -1.541 256 H PHE 35 H PHE 35 3.211 -2.713 2.828 257 HA PHE 35 HA PHE 35 5.909 -2.077 1.950 258 1HB PHE 35 2HB PHE 35 4.726 -2.733 4.658 259 2HB PHE 35 1HB PHE 35 6.394 -2.304 4.353 260 HD1 PHE 35 1HD PHE 35 6.983 0.029 3.829 261 HD2 PHE 35 2HD PHE 35 2.988 -1.091 4.770 262 HE1 PHE 35 1HE PHE 35 6.427 2.387 4.249 263 HE2 PHE 35 2HE PHE 35 2.421 1.265 5.187 264 HZ PHE 35 HZ PHE 35 4.142 3.010 4.928 265 H THR 36 H THR 36 7.031 -3.821 1.235 266 HA THR 36 HA THR 36 6.600 -6.443 2.460 267 HB THR 36 HB THR 36 4.870 -6.172 0.628 268 HG1 THR 36 1HG THR 36 5.113 -8.133 0.031 269 1HG2 THR 36 1HG2 THR 36 7.310 -6.054 -1.152 270 2HG2 THR 36 2HG2 THR 36 6.165 -4.743 -0.871 271 3HG2 THR 36 3HG2 THR 36 5.642 -6.206 -1.707 272 H ALA 37 H ALA 37 8.045 -8.024 1.106 273 HA ALA 37 HA ALA 37 10.528 -6.693 0.280 274 1HB ALA 37 1HB ALA 37 10.868 -7.493 2.555 275 2HB ALA 37 2HB ALA 37 11.826 -8.441 1.421 276 3HB ALA 37 3HB ALA 37 10.333 -9.104 2.086 277 H SER 38 H SER 38 11.213 -7.417 -1.610 278 HA SER 38 HA SER 38 9.657 -9.252 -3.079 279 1HB SER 38 2HB SER 38 12.397 -8.153 -3.750 280 2HB SER 38 1HB SER 38 11.209 -8.802 -4.882 281 HG SER 38 HG SER 38 11.009 -6.469 -3.282 282 H TRP 39 H TRP 39 12.442 -9.697 -1.072 283 HA TRP 39 HA TRP 39 13.071 -12.294 -2.147 284 1HB TRP 39 2HB TRP 39 14.711 -12.460 -0.244 285 2HB TRP 39 1HB TRP 39 14.921 -11.044 -1.248 286 HD1 TRP 39 HD TRP 39 14.911 -8.819 -0.111 287 HE1 TRP 39 1HE TRP 39 14.628 -7.957 2.295 288 HE3 TRP 39 3HE TRP 39 13.258 -13.118 2.063 289 HZ2 TRP 39 2HZ TRP 39 13.783 -8.985 4.792 290 HZ3 TRP 39 3HZ TRP 39 12.726 -13.102 4.465 291 HH2 TRP 39 HH TRP 39 12.984 -11.069 5.797 292 H CYS 40 H CYS 40 10.676 -11.198 -0.182 293 HA CYS 40 HA CYS 40 10.634 -13.491 1.599 294 1HB CYS 40 2HB CYS 40 10.202 -11.392 2.617 295 2HB CYS 40 1HB CYS 40 9.002 -10.963 1.416 296 H GLY 41 H GLY 41 9.526 -15.255 1.169 297 1HA GLY 41 2HA GLY 41 8.160 -15.704 -1.237 298 2HA GLY 41 1HA GLY 41 8.157 -16.767 0.158 299 HA PRO 42 HA PRO 42 3.946 -15.871 1.254 300 1HB PRO 42 2HB PRO 42 4.748 -14.310 3.661 301 2HB PRO 42 1HB PRO 42 3.659 -15.695 3.542 302 1HG PRO 42 2HG PRO 42 6.087 -16.005 4.552 303 2HG PRO 42 1HG PRO 42 5.402 -17.230 3.471 304 1HD PRO 42 2HD PRO 42 7.447 -15.126 2.884 305 2HD PRO 42 1HD PRO 42 7.366 -16.808 2.323 306 H CYS 43 H CYS 43 6.112 -13.174 1.704 307 HA CYS 43 HA CYS 43 4.211 -11.100 1.538 308 1HB CYS 43 2HB CYS 43 7.124 -11.027 0.781 309 2HB CYS 43 1HB CYS 43 6.127 -9.648 1.224 310 H ARG 44 H ARG 44 6.252 -12.720 -0.871 311 HA ARG 44 HA ARG 44 5.420 -11.098 -3.028 312 1HB ARG 44 2HB ARG 44 7.603 -12.202 -3.018 313 2HB ARG 44 1HB ARG 44 6.852 -13.767 -2.871 314 1HG ARG 44 2HG ARG 44 6.507 -12.030 -5.317 315 2HG ARG 44 1HG ARG 44 7.853 -13.149 -5.115 316 1HD ARG 44 2HD ARG 44 4.922 -13.867 -5.109 317 2HD ARG 44 1HD ARG 44 6.056 -14.169 -6.428 318 HE ARG 44 HE ARG 44 7.205 -15.371 -4.290 319 1HH1 ARG 44 1HH1 ARG 44 4.023 -15.683 -5.796 320 2HH1 ARG 44 2HH1 ARG 44 3.851 -17.332 -5.358 321 1HH2 ARG 44 1HH2 ARG 44 6.927 -17.582 -3.680 322 2HH2 ARG 44 2HH2 ARG 44 5.502 -18.415 -4.113 323 H PHE 45 H PHE 45 4.219 -13.977 -1.525 324 HA PHE 45 HA PHE 45 2.445 -14.639 -3.682 325 1HB PHE 45 2HB PHE 45 3.340 -16.397 -2.225 326 2HB PHE 45 1HB PHE 45 2.544 -15.671 -0.835 327 HD1 PHE 45 1HD PHE 45 0.278 -16.140 -0.348 328 HD2 PHE 45 2HD PHE 45 1.966 -17.381 -4.054 329 HE1 PHE 45 1HE PHE 45 -1.723 -17.484 -0.801 330 HE2 PHE 45 2HE PHE 45 -0.039 -18.729 -4.516 331 HZ PHE 45 HZ PHE 45 -1.887 -18.779 -2.890 332 H ILE 46 H ILE 46 2.225 -12.700 -0.787 333 HA ILE 46 HA ILE 46 -0.672 -12.656 -0.900 334 HB ILE 46 HB ILE 46 0.551 -12.683 1.287 335 1HG1 ILE 46 2HG1 ILE 46 -0.766 -10.866 2.404 336 2HG1 ILE 46 1HG1 ILE 46 -1.238 -10.319 0.796 337 1HG2 ILE 46 1HG2 ILE 46 1.560 -10.642 2.164 338 2HG2 ILE 46 2HG2 ILE 46 1.376 -9.891 0.573 339 3HG2 ILE 46 3HG2 ILE 46 2.412 -11.302 0.770 340 1HD1 ILE 46 1HD1 ILE 46 -2.945 -11.702 1.819 341 2HD1 ILE 46 2HD1 ILE 46 -1.765 -13.015 1.957 342 3HD1 ILE 46 3HD1 ILE 46 -2.285 -12.463 0.363 343 H ALA 47 H ALA 47 1.978 -10.744 -1.981 344 HA ALA 47 HA ALA 47 0.802 -8.222 -2.170 345 1HB ALA 47 1HB ALA 47 3.212 -8.652 -2.184 346 2HB ALA 47 2HB ALA 47 2.693 -7.578 -3.482 347 3HB ALA 47 3HB ALA 47 3.072 -9.265 -3.831 348 HA PRO 48 HA PRO 48 0.022 -9.490 -7.068 349 1HB PRO 48 2HB PRO 48 -1.520 -11.869 -6.131 350 2HB PRO 48 1HB PRO 48 -0.721 -11.599 -7.683 351 1HG PRO 48 2HG PRO 48 0.439 -13.107 -5.854 352 2HG PRO 48 1HG PRO 48 1.396 -11.954 -6.803 353 1HD PRO 48 2HD PRO 48 0.534 -11.811 -3.962 354 2HD PRO 48 1HD PRO 48 1.994 -11.172 -4.736 355 H PHE 49 H PHE 49 -2.130 -10.150 -4.360 356 HA PHE 49 HA PHE 49 -4.509 -9.414 -5.684 357 1HB PHE 49 2HB PHE 49 -4.516 -10.756 -3.625 358 2HB PHE 49 1HB PHE 49 -3.917 -9.374 -2.712 359 HD1 PHE 49 1HD PHE 49 -5.383 -7.736 -1.925 360 HD2 PHE 49 2HD PHE 49 -6.751 -10.654 -4.668 361 HE1 PHE 49 1HE PHE 49 -7.656 -6.993 -1.554 362 HE2 PHE 49 2HE PHE 49 -9.077 -9.918 -4.303 363 HZ PHE 49 HZ PHE 49 -9.538 -8.084 -2.740 364 H PHE 50 H PHE 50 -2.122 -7.536 -3.968 365 HA PHE 50 HA PHE 50 -3.553 -5.075 -3.787 366 1HB PHE 50 2HB PHE 50 -1.593 -5.571 -2.408 367 2HB PHE 50 1HB PHE 50 -0.588 -5.720 -3.835 368 HD1 PHE 50 1HD PHE 50 -2.478 -3.352 -1.734 369 HD2 PHE 50 2HD PHE 50 0.420 -3.821 -4.810 370 HE1 PHE 50 1HE PHE 50 -1.855 -0.984 -1.514 371 HE2 PHE 50 2HE PHE 50 1.035 -1.452 -4.592 372 HZ PHE 50 HZ PHE 50 -0.100 -0.038 -2.942 373 H ALA 51 H ALA 51 -1.645 -6.586 -6.280 374 HA ALA 51 HA ALA 51 -1.489 -4.279 -7.948 375 1HB ALA 51 1HB ALA 51 0.089 -6.160 -8.177 376 2HB ALA 51 2HB ALA 51 -0.745 -5.829 -9.696 377 3HB ALA 51 3HB ALA 51 -1.240 -7.198 -8.698 378 H ASP 52 H ASP 52 -3.779 -6.842 -7.495 379 HA ASP 52 HA ASP 52 -5.412 -6.299 -9.809 380 1HB ASP 52 2HB ASP 52 -5.389 -8.442 -8.412 381 2HB ASP 52 1HB ASP 52 -6.242 -7.539 -7.206 382 H LEU 53 H LEU 53 -5.525 -5.465 -6.422 383 HA LEU 53 HA LEU 53 -7.765 -3.878 -6.298 384 1HB LEU 53 2HB LEU 53 -5.102 -3.711 -4.962 385 2HB LEU 53 1HB LEU 53 -6.414 -2.702 -4.484 386 HG LEU 53 HG LEU 53 -6.243 -5.677 -4.277 387 1HD1 LEU 53 1HD1 LEU 53 -6.307 -5.237 -1.869 388 2HD1 LEU 53 2HD1 LEU 53 -6.401 -3.511 -2.185 389 3HD1 LEU 53 3HD1 LEU 53 -4.943 -4.395 -2.607 390 1HD2 LEU 53 1HD2 LEU 53 -8.409 -5.552 -3.122 391 2HD2 LEU 53 2HD2 LEU 53 -8.535 -5.060 -4.804 392 3HD2 LEU 53 3HD2 LEU 53 -8.516 -3.839 -3.524 393 H ALA 54 H ALA 54 -4.498 -3.050 -7.276 394 HA ALA 54 HA ALA 54 -4.825 -0.310 -7.572 395 1HB ALA 54 1HB ALA 54 -2.651 -1.429 -7.585 396 2HB ALA 54 2HB ALA 54 -2.848 -0.374 -8.987 397 3HB ALA 54 3HB ALA 54 -3.023 -2.120 -9.162 398 H LYS 55 H LYS 55 -5.645 -2.931 -9.783 399 HA LYS 55 HA LYS 55 -6.163 -1.075 -11.928 400 1HB LYS 55 2HB LYS 55 -5.431 -3.470 -12.276 401 2HB LYS 55 1HB LYS 55 -7.035 -3.966 -11.752 402 1HG LYS 55 2HG LYS 55 -8.007 -2.652 -13.612 403 2HG LYS 55 1HG LYS 55 -6.378 -2.278 -14.161 404 1HD LYS 55 2HD LYS 55 -5.966 -4.739 -14.359 405 2HD LYS 55 1HD LYS 55 -7.672 -4.997 -13.989 406 1HE LYS 55 2HE LYS 55 -6.546 -3.481 -16.344 407 2HE LYS 55 1HE LYS 55 -7.303 -5.065 -16.396 408 1HZ LYS 55 1HZ LYS 55 -8.636 -2.489 -15.703 409 2HZ LYS 55 2HZ LYS 55 -9.404 -3.983 -15.656 410 3HZ LYS 55 3HZ LYS 55 -8.836 -3.368 -17.123 411 H LYS 56 H LYS 56 -7.934 -2.599 -9.372 412 HA LYS 56 HA LYS 56 -10.554 -2.193 -10.400 413 1HB LYS 56 2HB LYS 56 -9.602 -2.581 -7.574 414 2HB LYS 56 1HB LYS 56 -11.284 -2.630 -8.089 415 1HG LYS 56 2HG LYS 56 -10.830 -4.568 -9.469 416 2HG LYS 56 1HG LYS 56 -9.119 -4.475 -9.051 417 1HD LYS 56 2HD LYS 56 -10.228 -6.187 -7.765 418 2HD LYS 56 1HD LYS 56 -9.669 -4.891 -6.707 419 1HE LYS 56 2HE LYS 56 -11.964 -3.973 -6.683 420 2HE LYS 56 1HE LYS 56 -12.482 -5.310 -7.711 421 1HZ LYS 56 1HZ LYS 56 -12.989 -5.731 -5.407 422 2HZ LYS 56 2HZ LYS 56 -11.382 -5.524 -4.973 423 3HZ LYS 56 3HZ LYS 56 -11.826 -6.838 -5.936 424 H LEU 57 H LEU 57 -8.444 -0.285 -8.253 425 HA LEU 57 HA LEU 57 -10.466 1.770 -8.332 426 1HB LEU 57 2HB LEU 57 -8.423 1.099 -6.261 427 2HB LEU 57 1HB LEU 57 -9.408 2.549 -6.235 428 HG LEU 57 HG LEU 57 -10.553 -0.204 -6.318 429 1HD1 LEU 57 1HD1 LEU 57 -9.255 0.108 -4.205 430 2HD1 LEU 57 2HD1 LEU 57 -10.984 0.033 -3.887 431 3HD1 LEU 57 3HD1 LEU 57 -10.162 1.589 -3.879 432 1HD2 LEU 57 1HD2 LEU 57 -11.772 2.464 -5.630 433 2HD2 LEU 57 2HD2 LEU 57 -12.597 0.916 -5.488 434 3HD2 LEU 57 3HD2 LEU 57 -12.085 1.491 -7.069 435 HA PRO 58 HA PRO 58 -7.124 3.572 -10.827 436 1HB PRO 58 2HB PRO 58 -8.718 5.244 -12.211 437 2HB PRO 58 1HB PRO 58 -8.612 3.520 -12.588 438 1HG PRO 58 2HG PRO 58 -10.680 4.966 -10.967 439 2HG PRO 58 1HG PRO 58 -10.916 3.756 -12.239 440 1HD PRO 58 2HD PRO 58 -11.010 3.065 -9.602 441 2HD PRO 58 1HD PRO 58 -10.355 1.997 -10.846 442 H ASN 59 H ASN 59 -9.513 5.156 -8.795 443 HA ASN 59 HA ASN 59 -8.012 7.656 -8.906 444 1HB ASN 59 2HB ASN 59 -10.469 7.783 -9.179 445 2HB ASN 59 1HB ASN 59 -10.669 7.050 -7.599 446 1HD2 ASN 59 1HD2 ASN 59 -9.737 9.946 -9.324 447 2HD2 ASN 59 2HD2 ASN 59 -9.855 11.009 -7.977 448 H VAL 60 H VAL 60 -7.872 4.897 -7.199 449 HA VAL 60 HA VAL 60 -7.066 6.199 -4.721 450 HB VAL 60 HB VAL 60 -7.361 3.241 -5.388 451 1HG1 VAL 60 1HG1 VAL 60 -6.607 4.531 -2.754 452 2HG1 VAL 60 2HG1 VAL 60 -5.534 3.582 -3.778 453 3HG1 VAL 60 3HG1 VAL 60 -6.923 2.812 -3.006 454 1HG2 VAL 60 1HG2 VAL 60 -9.477 4.385 -5.124 455 2HG2 VAL 60 2HG2 VAL 60 -8.939 5.067 -3.591 456 3HG2 VAL 60 3HG2 VAL 60 -9.187 3.330 -3.737 457 H LEU 61 H LEU 61 -4.992 6.335 -4.106 458 HA LEU 61 HA LEU 61 -3.034 5.845 -6.202 459 1HB LEU 61 2HB LEU 61 -3.327 8.044 -4.878 460 2HB LEU 61 1HB LEU 61 -2.658 7.196 -3.512 461 HG LEU 61 HG LEU 61 -1.009 8.658 -4.545 462 1HD1 LEU 61 1HD1 LEU 61 -0.117 6.698 -3.499 463 2HD1 LEU 61 2HD1 LEU 61 0.833 7.127 -4.921 464 3HD1 LEU 61 3HD1 LEU 61 -0.308 5.781 -4.992 465 1HD2 LEU 61 1HD2 LEU 61 -1.389 7.023 -7.044 466 2HD2 LEU 61 2HD2 LEU 61 -0.162 8.262 -6.801 467 3HD2 LEU 61 3HD2 LEU 61 -1.870 8.703 -6.806 468 H PHE 62 H PHE 62 -1.738 4.069 -6.108 469 HA PHE 62 HA PHE 62 -1.573 2.640 -3.557 470 1HB PHE 62 2HB PHE 62 -1.335 1.541 -6.350 471 2HB PHE 62 1HB PHE 62 -1.080 0.615 -4.894 472 HD1 PHE 62 1HD PHE 62 -2.882 -0.147 -3.534 473 HD2 PHE 62 2HD PHE 62 -3.649 2.295 -6.926 474 HE1 PHE 62 1HE PHE 62 -5.270 -0.693 -3.377 475 HE2 PHE 62 2HE PHE 62 -6.040 1.754 -6.776 476 HZ PHE 62 HZ PHE 62 -6.856 0.254 -4.993 477 H LEU 63 H LEU 63 0.338 1.893 -2.895 478 HA LEU 63 HA LEU 63 2.723 2.842 -4.303 479 1HB LEU 63 2HB LEU 63 1.949 3.345 -1.470 480 2HB LEU 63 1HB LEU 63 3.623 3.422 -1.993 481 HG LEU 63 HG LEU 63 1.520 5.004 -3.393 482 1HD1 LEU 63 1HD1 LEU 63 2.180 6.917 -1.896 483 2HD1 LEU 63 2HD1 LEU 63 3.229 5.828 -0.983 484 3HD1 LEU 63 3HD1 LEU 63 1.480 5.614 -0.938 485 1HD2 LEU 63 1HD2 LEU 63 3.397 6.393 -3.978 486 2HD2 LEU 63 2HD2 LEU 63 3.717 4.695 -4.401 487 3HD2 LEU 63 3HD2 LEU 63 4.458 5.411 -2.979 488 H LYS 64 H LYS 64 4.423 1.602 -4.266 489 HA LYS 64 HA LYS 64 4.197 -0.985 -2.878 490 1HB LYS 64 2HB LYS 64 4.169 -0.969 -5.391 491 2HB LYS 64 1HB LYS 64 5.778 -0.277 -5.355 492 1HG LYS 64 2HG LYS 64 5.929 -2.618 -5.790 493 2HG LYS 64 1HG LYS 64 6.558 -2.308 -4.169 494 1HD LYS 64 2HD LYS 64 4.458 -3.037 -3.196 495 2HD LYS 64 1HD LYS 64 3.771 -3.277 -4.806 496 1HE LYS 64 2HE LYS 64 5.499 -4.963 -5.251 497 2HE LYS 64 1HE LYS 64 6.116 -4.731 -3.616 498 1HZ LYS 64 1HZ LYS 64 4.646 -6.647 -3.721 499 2HZ LYS 64 2HZ LYS 64 3.406 -5.679 -4.324 500 3HZ LYS 64 3HZ LYS 64 3.953 -5.430 -2.758 501 H VAL 65 H VAL 65 5.549 -1.032 -1.156 502 HA VAL 65 HA VAL 65 8.084 0.415 -1.405 503 HB VAL 65 HB VAL 65 6.454 -0.104 1.102 504 1HG1 VAL 65 1HG1 VAL 65 9.097 1.324 0.795 505 2HG1 VAL 65 2HG1 VAL 65 8.840 -0.231 1.584 506 3HG1 VAL 65 3HG1 VAL 65 8.141 1.234 2.273 507 1HG2 VAL 65 1HG2 VAL 65 5.527 1.678 -0.278 508 2HG2 VAL 65 2HG2 VAL 65 7.101 2.471 -0.331 509 3HG2 VAL 65 3HG2 VAL 65 6.236 2.337 1.196 510 H ASP 66 H ASP 66 9.703 -0.942 -1.632 511 HA ASP 66 HA ASP 66 9.516 -3.585 -0.472 512 1HB ASP 66 2HB ASP 66 10.434 -3.328 -2.798 513 2HB ASP 66 1HB ASP 66 11.719 -2.366 -2.070 514 H THR 67 H THR 67 9.962 -3.719 1.453 515 HA THR 67 HA THR 67 11.220 -1.697 2.962 516 HB THR 67 HB THR 67 10.908 -3.311 4.892 517 HG1 THR 67 1HG THR 67 9.699 -4.828 2.789 518 1HG2 THR 67 1HG2 THR 67 9.228 -1.604 4.292 519 2HG2 THR 67 2HG2 THR 67 8.466 -3.087 4.863 520 3HG2 THR 67 3HG2 THR 67 8.513 -2.729 3.137 521 H ASP 68 H ASP 68 12.629 -4.199 1.220 522 HA ASP 68 HA ASP 68 14.869 -4.609 2.977 523 1HB ASP 68 2HB ASP 68 14.113 -6.262 1.232 524 2HB ASP 68 1HB ASP 68 14.646 -5.134 0.014 525 H GLU 69 H GLU 69 14.091 -2.732 0.079 526 HA GLU 69 HA GLU 69 16.523 -1.338 -0.075 527 1HB GLU 69 2HB GLU 69 13.777 -0.695 -1.093 528 2HB GLU 69 1HB GLU 69 15.247 0.117 -1.558 529 1HG GLU 69 2HG GLU 69 16.052 -2.079 -2.437 530 2HG GLU 69 1HG GLU 69 14.439 -2.711 -2.103 531 H LEU 70 H LEU 70 13.198 -0.224 0.766 532 HA LEU 70 HA LEU 70 14.245 2.118 1.960 533 1HB LEU 70 2HB LEU 70 11.504 1.088 1.373 534 2HB LEU 70 1HB LEU 70 11.811 2.589 2.202 535 HG LEU 70 HG LEU 70 12.607 1.917 -0.634 536 1HD1 LEU 70 1HD1 LEU 70 10.245 2.337 -0.430 537 2HD1 LEU 70 2HD1 LEU 70 11.021 3.707 -1.219 538 3HD1 LEU 70 3HD1 LEU 70 10.553 3.815 0.478 539 1HD2 LEU 70 1HD2 LEU 70 13.029 4.457 0.946 540 2HD2 LEU 70 2HD2 LEU 70 13.306 4.273 -0.780 541 3HD2 LEU 70 3HD2 LEU 70 14.289 3.365 0.363 542 H LYS 71 H LYS 71 15.142 0.191 3.425 543 HA LYS 71 HA LYS 71 13.459 -0.771 5.466 544 1HB LYS 71 2HB LYS 71 15.552 -1.423 6.632 545 2HB LYS 71 1HB LYS 71 15.459 -1.959 4.965 546 1HG LYS 71 2HG LYS 71 16.932 -0.088 4.317 547 2HG LYS 71 1HG LYS 71 17.068 0.349 6.021 548 1HD LYS 71 2HD LYS 71 18.022 -1.812 6.532 549 2HD LYS 71 1HD LYS 71 17.809 -2.326 4.860 550 1HE LYS 71 2HE LYS 71 19.326 -0.478 4.167 551 2HE LYS 71 1HE LYS 71 19.584 -0.128 5.877 552 1HZ LYS 71 1HZ LYS 71 20.524 -2.344 6.158 553 2HZ LYS 71 2HZ LYS 71 21.350 -1.522 4.924 554 3HZ LYS 71 3HZ LYS 71 20.219 -2.683 4.537 555 H SER 72 H SER 72 15.206 2.233 5.151 556 HA SER 72 HA SER 72 15.047 2.925 7.906 557 1HB SER 72 2HB SER 72 15.286 4.736 5.530 558 2HB SER 72 1HB SER 72 15.713 5.124 7.191 559 HG SER 72 HG SER 72 17.208 3.996 5.323 560 H VAL 73 H VAL 73 13.081 3.531 5.044 561 HA VAL 73 HA VAL 73 11.141 5.189 6.269 562 HB VAL 73 HB VAL 73 10.772 3.303 3.911 563 1HG1 VAL 73 1HG1 VAL 73 8.649 4.041 4.824 564 2HG1 VAL 73 2HG1 VAL 73 8.933 4.780 3.249 565 3HG1 VAL 73 3HG1 VAL 73 9.168 5.724 4.720 566 1HG2 VAL 73 1HG2 VAL 73 12.608 4.853 3.507 567 2HG2 VAL 73 2HG2 VAL 73 11.568 6.213 3.934 568 3HG2 VAL 73 3HG2 VAL 73 11.221 5.259 2.494 569 H ALA 74 H ALA 74 11.380 1.728 5.721 570 HA ALA 74 HA ALA 74 8.967 0.889 6.811 571 1HB ALA 74 1HB ALA 74 11.624 -0.522 6.953 572 2HB ALA 74 2HB ALA 74 10.523 -0.562 5.582 573 3HB ALA 74 3HB ALA 74 10.038 -1.277 7.123 574 H SER 75 H SER 75 12.117 1.274 8.421 575 HA SER 75 HA SER 75 11.323 0.573 11.005 576 1HB SER 75 2HB SER 75 13.465 2.519 10.149 577 2HB SER 75 1HB SER 75 13.337 1.745 11.731 578 HG SER 75 HG SER 75 14.161 0.719 9.288 579 H ASP 76 H ASP 76 11.320 3.682 9.341 580 HA ASP 76 HA ASP 76 10.680 5.330 11.528 581 1HB ASP 76 2HB ASP 76 11.593 6.155 9.405 582 2HB ASP 76 1HB ASP 76 10.117 5.686 8.583 583 H TRP 77 H TRP 77 8.678 3.569 9.228 584 HA TRP 77 HA TRP 77 6.284 4.534 10.461 585 1HB TRP 77 2HB TRP 77 6.813 2.840 8.075 586 2HB TRP 77 1HB TRP 77 5.170 3.031 8.689 587 HD1 TRP 77 HD TRP 77 8.080 5.227 7.336 588 HE1 TRP 77 1HE TRP 77 7.061 7.307 6.222 589 HE3 TRP 77 3HE TRP 77 3.155 4.382 8.394 590 HZ2 TRP 77 2HZ TRP 77 4.498 8.432 5.823 591 HZ3 TRP 77 3HZ TRP 77 1.481 6.009 7.599 592 HH2 TRP 77 HH TRP 77 2.144 7.986 6.347 593 H ALA 78 H ALA 78 8.360 2.456 11.519 594 HA ALA 78 HA ALA 78 8.397 0.794 13.029 595 1HB ALA 78 1HB ALA 78 6.458 0.483 14.482 596 2HB ALA 78 2HB ALA 78 5.443 1.353 13.331 597 3HB ALA 78 3HB ALA 78 6.732 2.201 14.180 598 H ILE 79 H ILE 79 7.858 0.209 10.232 599 HA ILE 79 HA ILE 79 6.128 -2.112 10.218 600 HB ILE 79 HB ILE 79 8.061 -1.189 8.066 601 1HG1 ILE 79 2HG1 ILE 79 6.422 0.592 8.516 602 2HG1 ILE 79 1HG1 ILE 79 6.148 -0.125 6.936 603 1HG2 ILE 79 1HG2 ILE 79 5.696 -3.055 7.910 604 2HG2 ILE 79 2HG2 ILE 79 7.401 -3.502 7.805 605 3HG2 ILE 79 3HG2 ILE 79 6.668 -2.520 6.536 606 1HD1 ILE 79 1HD1 ILE 79 4.066 0.328 8.085 607 2HD1 ILE 79 2HD1 ILE 79 4.584 -0.671 9.442 608 3HD1 ILE 79 3HD1 ILE 79 4.287 -1.410 7.865 609 H GLN 80 H GLN 80 7.105 -3.421 11.725 610 HA GLN 80 HA GLN 80 9.835 -4.302 11.134 611 1HB GLN 80 2HB GLN 80 9.305 -3.563 13.445 612 2HB GLN 80 1HB GLN 80 8.147 -4.881 13.569 613 1HG GLN 80 2HG GLN 80 9.956 -6.491 13.245 614 2HG GLN 80 1HG GLN 80 11.113 -5.168 13.147 615 1HE2 GLN 80 1HE2 GLN 80 11.006 -7.341 14.998 616 2HE2 GLN 80 2HE2 GLN 80 10.901 -6.665 16.578 617 H ALA 81 H ALA 81 6.536 -5.417 11.471 618 HA ALA 81 HA ALA 81 7.315 -8.111 10.746 619 1HB ALA 81 1HB ALA 81 4.931 -8.632 10.984 620 2HB ALA 81 2HB ALA 81 4.592 -6.920 11.237 621 3HB ALA 81 3HB ALA 81 5.547 -7.810 12.417 622 H MET 82 H MET 82 7.487 -8.693 8.760 623 HA MET 82 HA MET 82 6.418 -6.931 6.681 624 1HB MET 82 2HB MET 82 8.617 -8.990 6.427 625 2HB MET 82 1HB MET 82 8.217 -7.705 5.339 626 1HG MET 82 2HG MET 82 9.072 -5.999 6.679 627 2HG MET 82 1HG MET 82 9.060 -7.000 8.123 628 1HE MET 82 1HE MET 82 12.145 -7.516 4.731 629 2HE MET 82 2HE MET 82 10.842 -6.326 4.689 630 3HE MET 82 3HE MET 82 10.472 -8.052 4.609 631 HA PRO 83 HA PRO 83 5.610 -6.955 4.899 632 1HB PRO 83 2HB PRO 83 3.582 -7.210 3.215 633 2HB PRO 83 1HB PRO 83 5.074 -8.123 2.957 634 1HG PRO 83 2HG PRO 83 2.471 -9.047 4.081 635 2HG PRO 83 1HG PRO 83 3.585 -9.895 2.995 636 1HD PRO 83 2HD PRO 83 3.442 -10.195 5.794 637 2HD PRO 83 1HD PRO 83 4.752 -10.764 4.742 638 H THR 84 H THR 84 4.185 -5.073 5.086 639 HA THR 84 HA THR 84 1.769 -5.484 6.671 640 HB THR 84 HB THR 84 3.641 -3.206 6.775 641 HG1 THR 84 1HG THR 84 4.158 -5.197 8.100 642 1HG2 THR 84 1HG2 THR 84 1.030 -3.552 8.257 643 2HG2 THR 84 2HG2 THR 84 1.379 -2.361 7.006 644 3HG2 THR 84 3HG2 THR 84 2.181 -2.250 8.574 645 H PHE 85 H PHE 85 -0.049 -4.814 5.664 646 HA PHE 85 HA PHE 85 0.202 -3.058 3.352 647 1HB PHE 85 2HB PHE 85 -2.001 -4.877 4.349 648 2HB PHE 85 1HB PHE 85 -2.159 -3.784 3.003 649 HD1 PHE 85 1HD PHE 85 -1.422 -4.397 0.856 650 HD2 PHE 85 2HD PHE 85 -0.396 -6.798 4.211 651 HE1 PHE 85 1HE PHE 85 -0.634 -6.164 -0.659 652 HE2 PHE 85 2HE PHE 85 0.399 -8.568 2.700 653 HZ PHE 85 HZ PHE 85 0.271 -8.243 0.254 654 H MET 86 H MET 86 -0.365 -1.002 3.732 655 HA MET 86 HA MET 86 -2.015 -0.541 6.107 656 1HB MET 86 2HB MET 86 0.242 0.327 6.362 657 2HB MET 86 1HB MET 86 0.037 1.306 4.908 658 1HG MET 86 2HG MET 86 -1.736 2.571 6.010 659 2HG MET 86 1HG MET 86 -1.560 1.579 7.448 660 1HE MET 86 1HE MET 86 0.612 1.578 8.999 661 2HE MET 86 2HE MET 86 2.032 2.574 8.691 662 3HE MET 86 3HE MET 86 1.644 1.240 7.609 663 H PHE 87 H PHE 87 -3.942 0.212 5.793 664 HA PHE 87 HA PHE 87 -4.608 1.382 3.257 665 1HB PHE 87 2HB PHE 87 -6.076 0.032 5.483 666 2HB PHE 87 1HB PHE 87 -6.919 0.837 4.192 667 HD1 PHE 87 1HD PHE 87 -7.169 -0.268 2.060 668 HD2 PHE 87 2HD PHE 87 -4.658 -1.963 5.051 669 HE1 PHE 87 1HE PHE 87 -7.025 -2.343 0.757 670 HE2 PHE 87 2HE PHE 87 -4.506 -4.043 3.749 671 HZ PHE 87 HZ PHE 87 -5.691 -4.237 1.598 672 H LEU 88 H LEU 88 -4.680 3.562 3.343 673 HA LEU 88 HA LEU 88 -5.716 4.652 5.760 674 1HB LEU 88 2HB LEU 88 -4.082 6.536 5.733 675 2HB LEU 88 1HB LEU 88 -3.365 4.980 6.041 676 HG LEU 88 HG LEU 88 -3.208 6.351 3.357 677 1HD1 LEU 88 1HD1 LEU 88 -0.949 7.028 4.049 678 2HD1 LEU 88 2HD1 LEU 88 -1.240 6.360 5.655 679 3HD1 LEU 88 3HD1 LEU 88 -2.172 7.749 5.093 680 1HD2 LEU 88 1HD2 LEU 88 -1.308 4.842 3.016 681 2HD2 LEU 88 2HD2 LEU 88 -2.771 3.919 3.354 682 3HD2 LEU 88 3HD2 LEU 88 -1.557 4.150 4.615 683 H LYS 89 H LYS 89 -6.408 6.985 5.390 684 HA LYS 89 HA LYS 89 -7.403 7.247 2.653 685 1HB LYS 89 2HB LYS 89 -9.060 6.088 4.022 686 2HB LYS 89 1HB LYS 89 -9.019 7.409 5.171 687 1HG LYS 89 2HG LYS 89 -10.041 8.887 3.571 688 2HG LYS 89 1HG LYS 89 -9.949 7.643 2.313 689 1HD LYS 89 2HD LYS 89 -11.392 6.191 3.678 690 2HD LYS 89 1HD LYS 89 -11.506 7.462 4.893 691 1HE LYS 89 2HE LYS 89 -12.619 8.910 3.290 692 2HE LYS 89 1HE LYS 89 -12.424 7.685 2.033 693 1HZ LYS 89 1HZ LYS 89 -13.823 6.197 3.318 694 2HZ LYS 89 2HZ LYS 89 -14.652 7.618 2.979 695 3HZ LYS 89 3HZ LYS 89 -14.030 7.355 4.520 696 H GLU 90 H GLU 90 -6.916 9.116 1.903 697 HA GLU 90 HA GLU 90 -6.582 11.197 1.606 698 1HB GLU 90 2HB GLU 90 -7.796 11.599 4.311 699 2HB GLU 90 1HB GLU 90 -7.471 12.926 3.211 700 1HG GLU 90 2HG GLU 90 -9.078 12.006 1.629 701 2HG GLU 90 1HG GLU 90 -9.369 10.633 2.695 702 H GLY 91 H GLY 91 -4.745 9.452 3.206 703 1HA GLY 91 2HA GLY 91 -2.486 9.804 3.817 704 2HA GLY 91 1HA GLY 91 -2.859 11.498 4.106 705 H LYS 92 H LYS 92 -5.282 9.837 5.527 706 HA LYS 92 HA LYS 92 -3.970 9.868 8.140 707 1HB LYS 92 2HB LYS 92 -6.884 9.980 7.343 708 2HB LYS 92 1HB LYS 92 -6.301 9.972 9.005 709 1HG LYS 92 2HG LYS 92 -5.179 12.065 8.683 710 2HG LYS 92 1HG LYS 92 -5.583 12.055 6.966 711 1HD LYS 92 2HD LYS 92 -7.932 12.251 7.495 712 2HD LYS 92 1HD LYS 92 -7.576 12.136 9.220 713 1HE LYS 92 2HE LYS 92 -6.583 14.287 7.378 714 2HE LYS 92 1HE LYS 92 -7.962 14.457 8.463 715 1HZ LYS 92 1HZ LYS 92 -5.129 13.986 9.288 716 2HZ LYS 92 2HZ LYS 92 -6.441 14.035 10.329 717 3HZ LYS 92 3HZ LYS 92 -6.020 15.407 9.471 718 H ILE 93 H ILE 93 -3.827 7.985 9.289 719 HA ILE 93 HA ILE 93 -4.058 5.567 7.786 720 HB ILE 93 HB ILE 93 -3.262 5.963 10.683 721 1HG1 ILE 93 2HG1 ILE 93 -1.551 5.643 8.196 722 2HG1 ILE 93 1HG1 ILE 93 -1.792 7.143 9.081 723 1HG2 ILE 93 1HG2 ILE 93 -2.892 3.568 8.868 724 2HG2 ILE 93 2HG2 ILE 93 -3.982 3.661 10.249 725 3HG2 ILE 93 3HG2 ILE 93 -2.235 3.727 10.499 726 1HD1 ILE 93 1HD1 ILE 93 -0.684 6.160 11.031 727 2HD1 ILE 93 2HD1 ILE 93 0.356 6.133 9.609 728 3HD1 ILE 93 3HD1 ILE 93 -0.455 4.658 10.137 729 H LEU 94 H LEU 94 -5.731 4.203 7.682 730 HA LEU 94 HA LEU 94 -7.818 4.458 9.666 731 1HB LEU 94 2HB LEU 94 -7.703 3.014 7.038 732 2HB LEU 94 1HB LEU 94 -9.075 2.933 8.088 733 HG LEU 94 HG LEU 94 -8.043 5.351 6.612 734 1HD1 LEU 94 1HD1 LEU 94 -9.278 3.827 5.223 735 2HD1 LEU 94 2HD1 LEU 94 -10.263 5.256 5.544 736 3HD1 LEU 94 3HD1 LEU 94 -10.580 3.754 6.407 737 1HD2 LEU 94 1HD2 LEU 94 -9.966 6.565 7.547 738 2HD2 LEU 94 2HD2 LEU 94 -8.836 6.078 8.804 739 3HD2 LEU 94 3HD2 LEU 94 -10.339 5.181 8.573 740 H ASP 95 H ASP 95 -6.342 1.753 7.882 741 HA ASP 95 HA ASP 95 -5.878 0.361 10.328 742 1HB ASP 95 2HB ASP 95 -7.077 -1.624 9.490 743 2HB ASP 95 1HB ASP 95 -8.144 -0.370 10.088 744 H LYS 96 H LYS 96 -4.780 -1.591 9.997 745 HA LYS 96 HA LYS 96 -3.440 -1.802 7.419 746 1HB LYS 96 2HB LYS 96 -1.223 -1.883 8.526 747 2HB LYS 96 1HB LYS 96 -2.001 -0.310 8.649 748 1HG LYS 96 2HG LYS 96 -2.691 -0.820 10.921 749 2HG LYS 96 1HG LYS 96 -1.915 -2.401 10.816 750 1HD LYS 96 2HD LYS 96 0.247 -1.314 10.517 751 2HD LYS 96 1HD LYS 96 -0.532 0.270 10.571 752 1HE LYS 96 2HE LYS 96 -1.304 -0.185 12.845 753 2HE LYS 96 1HE LYS 96 -0.533 -1.768 12.793 754 1HZ LYS 96 1HZ LYS 96 0.827 -0.130 13.949 755 2HZ LYS 96 2HZ LYS 96 0.895 0.829 12.568 756 3HZ LYS 96 3HZ LYS 96 1.602 -0.685 12.572 757 H VAL 97 H VAL 97 -2.338 -3.765 7.137 758 HA VAL 97 HA VAL 97 -3.275 -5.936 8.896 759 HB VAL 97 HB VAL 97 -2.382 -6.113 6.001 760 1HG1 VAL 97 1HG1 VAL 97 -3.740 -8.149 7.750 761 2HG1 VAL 97 2HG1 VAL 97 -2.064 -8.180 7.206 762 3HG1 VAL 97 3HG1 VAL 97 -3.373 -8.357 6.038 763 1HG2 VAL 97 1HG2 VAL 97 -4.455 -4.840 6.110 764 2HG2 VAL 97 2HG2 VAL 97 -5.211 -6.124 7.058 765 3HG2 VAL 97 3HG2 VAL 97 -4.735 -6.421 5.388 766 H VAL 98 H VAL 98 -1.643 -6.758 10.040 767 HA VAL 98 HA VAL 98 1.027 -6.258 9.023 768 HB VAL 98 HB VAL 98 0.525 -5.037 11.048 769 1HG1 VAL 98 1HG1 VAL 98 -1.123 -6.430 12.095 770 2HG1 VAL 98 2HG1 VAL 98 0.204 -6.117 13.219 771 3HG1 VAL 98 3HG1 VAL 98 0.093 -7.674 12.405 772 1HG2 VAL 98 1HG2 VAL 98 2.811 -5.689 10.689 773 2HG2 VAL 98 2HG2 VAL 98 2.522 -7.227 11.512 774 3HG2 VAL 98 3HG2 VAL 98 2.450 -5.716 12.416 775 H GLY 99 H GLY 99 2.056 -7.892 8.248 776 1HA GLY 99 2HA GLY 99 3.097 -10.006 8.453 777 2HA GLY 99 1HA GLY 99 1.751 -10.530 9.473 778 H ALA 100 H ALA 100 2.554 -12.019 7.177 779 HA ALA 100 HA ALA 100 0.738 -11.214 5.083 780 1HB ALA 100 1HB ALA 100 2.322 -13.771 5.386 781 2HB ALA 100 2HB ALA 100 2.851 -12.335 4.510 782 3HB ALA 100 3HB ALA 100 1.461 -13.253 3.936 783 H LYS 101 H LYS 101 -1.309 -11.372 5.538 784 HA LYS 101 HA LYS 101 -2.331 -13.871 6.613 785 1HB LYS 101 2HB LYS 101 -3.307 -11.070 6.981 786 2HB LYS 101 1HB LYS 101 -4.156 -12.511 7.512 787 1HG LYS 101 2HG LYS 101 -1.390 -11.864 8.498 788 2HG LYS 101 1HG LYS 101 -2.842 -11.164 9.216 789 1HD LYS 101 2HD LYS 101 -2.097 -13.023 10.532 790 2HD LYS 101 1HD LYS 101 -3.579 -13.410 9.673 791 1HE LYS 101 2HE LYS 101 -2.451 -14.846 8.166 792 2HE LYS 101 1HE LYS 101 -0.851 -14.278 8.693 793 1HZ LYS 101 1HZ LYS 101 -1.301 -15.314 10.819 794 2HZ LYS 101 2HZ LYS 101 -1.407 -16.449 9.571 795 3HZ LYS 101 3HZ LYS 101 -2.814 -15.834 10.285 796 H LYS 102 H LYS 102 -3.304 -14.851 4.832 797 HA LYS 102 HA LYS 102 -4.072 -13.381 2.559 798 1HB LYS 102 2HB LYS 102 -3.292 -15.823 2.802 799 2HB LYS 102 1HB LYS 102 -4.947 -16.156 3.265 800 1HG LYS 102 2HG LYS 102 -4.103 -14.941 0.639 801 2HG LYS 102 1HG LYS 102 -4.390 -16.646 0.956 802 1HD LYS 102 2HD LYS 102 -6.480 -14.474 1.274 803 2HD LYS 102 1HD LYS 102 -6.298 -15.451 -0.180 804 1HE LYS 102 2HE LYS 102 -6.695 -17.483 1.207 805 2HE LYS 102 1HE LYS 102 -6.964 -16.433 2.591 806 1HZ LYS 102 1HZ LYS 102 -9.015 -17.165 1.539 807 2HZ LYS 102 2HZ LYS 102 -8.605 -16.401 0.108 808 3HZ LYS 102 3HZ LYS 102 -8.907 -15.497 1.496 809 H ASP 103 H ASP 103 -5.859 -14.982 5.176 810 HA ASP 103 HA ASP 103 -8.399 -14.253 4.172 811 1HB ASP 103 2HB ASP 103 -8.170 -16.173 5.638 812 2HB ASP 103 1HB ASP 103 -7.624 -15.137 6.953 813 H GLU 104 H GLU 104 -6.349 -12.807 6.663 814 HA GLU 104 HA GLU 104 -8.228 -10.846 7.423 815 1HB GLU 104 2HB GLU 104 -6.274 -11.450 8.812 816 2HB GLU 104 1HB GLU 104 -5.224 -10.724 7.612 817 1HG GLU 104 2HG GLU 104 -5.500 -9.266 9.513 818 2HG GLU 104 1HG GLU 104 -6.183 -8.547 8.057 819 H LEU 105 H LEU 105 -5.822 -10.914 4.846 820 HA LEU 105 HA LEU 105 -5.920 -8.216 4.097 821 1HB LEU 105 2HB LEU 105 -4.393 -9.962 3.147 822 2HB LEU 105 1HB LEU 105 -5.749 -10.606 2.291 823 HG LEU 105 HG LEU 105 -6.041 -8.522 1.043 824 1HD1 LEU 105 1HD1 LEU 105 -3.500 -7.652 2.410 825 2HD1 LEU 105 2HD1 LEU 105 -5.102 -6.931 2.599 826 3HD1 LEU 105 3HD1 LEU 105 -4.262 -6.823 1.055 827 1HD2 LEU 105 1HD2 LEU 105 -4.731 -10.323 0.062 828 2HD2 LEU 105 2HD2 LEU 105 -3.276 -9.702 0.842 829 3HD2 LEU 105 3HD2 LEU 105 -4.076 -8.753 -0.409 830 H GLN 106 H GLN 106 -7.706 -10.964 2.956 831 HA GLN 106 HA GLN 106 -9.535 -9.591 1.272 832 1HB GLN 106 2HB GLN 106 -9.989 -12.204 2.724 833 2HB GLN 106 1HB GLN 106 -10.944 -11.599 1.379 834 1HG GLN 106 2HG GLN 106 -8.042 -12.397 1.299 835 2HG GLN 106 1HG GLN 106 -9.392 -13.311 0.636 836 1HE2 GLN 106 1HE2 GLN 106 -7.282 -10.618 0.224 837 2HE2 GLN 106 2HE2 GLN 106 -7.754 -10.235 -1.385 838 H SER 107 H SER 107 -9.727 -10.467 4.656 839 HA SER 107 HA SER 107 -12.317 -9.583 5.191 840 1HB SER 107 2HB SER 107 -10.965 -10.937 6.760 841 2HB SER 107 1HB SER 107 -9.855 -9.590 6.951 842 HG SER 107 HG SER 107 -12.596 -9.596 7.638 843 H THR 108 H THR 108 -9.217 -7.877 5.314 844 HA THR 108 HA THR 108 -10.213 -5.373 6.143 845 HB THR 108 HB THR 108 -7.735 -6.028 4.529 846 HG1 THR 108 1HG THR 108 -7.780 -7.116 6.499 847 1HG2 THR 108 1HG2 THR 108 -8.287 -3.627 4.478 848 2HG2 THR 108 2HG2 THR 108 -6.849 -3.916 5.453 849 3HG2 THR 108 3HG2 THR 108 -8.384 -3.594 6.235 850 H ILE 109 H ILE 109 -10.023 -6.860 2.976 851 HA ILE 109 HA ILE 109 -10.611 -4.493 1.551 852 HB ILE 109 HB ILE 109 -11.247 -7.348 0.772 853 1HG1 ILE 109 2HG1 ILE 109 -8.889 -7.094 1.256 854 2HG1 ILE 109 1HG1 ILE 109 -9.161 -7.267 -0.475 855 1HG2 ILE 109 1HG2 ILE 109 -12.471 -5.709 -0.548 856 2HG2 ILE 109 2HG2 ILE 109 -11.206 -6.454 -1.542 857 3HG2 ILE 109 3HG2 ILE 109 -10.976 -4.834 -0.860 858 1HD1 ILE 109 1HD1 ILE 109 -8.601 -4.682 0.985 859 2HD1 ILE 109 2HD1 ILE 109 -8.835 -4.849 -0.756 860 3HD1 ILE 109 3HD1 ILE 109 -7.440 -5.595 0.027 861 H ALA 110 H ALA 110 -12.621 -7.087 2.896 862 HA ALA 110 HA ALA 110 -15.071 -5.979 1.992 863 1HB ALA 110 1HB ALA 110 -14.599 -7.863 4.310 864 2HB ALA 110 2HB ALA 110 -14.832 -8.352 2.631 865 3HB ALA 110 3HB ALA 110 -16.143 -7.564 3.509 866 H LYS 111 H LYS 111 -13.103 -5.399 4.898 867 HA LYS 111 HA LYS 111 -14.926 -4.036 6.348 868 1HB LYS 111 2HB LYS 111 -12.074 -4.273 5.997 869 2HB LYS 111 1HB LYS 111 -12.622 -3.127 7.176 870 1HG LYS 111 2HG LYS 111 -13.802 -5.042 8.330 871 2HG LYS 111 1HG LYS 111 -13.133 -6.120 7.106 872 1HD LYS 111 2HD LYS 111 -10.839 -5.509 7.864 873 2HD LYS 111 1HD LYS 111 -11.572 -4.461 9.079 874 1HE LYS 111 2HE LYS 111 -12.572 -6.371 10.165 875 2HE LYS 111 1HE LYS 111 -12.001 -7.436 8.884 876 1HZ LYS 111 1HZ LYS 111 -10.213 -5.867 10.659 877 2HZ LYS 111 2HZ LYS 111 -9.724 -7.132 9.610 878 3HZ LYS 111 3HZ LYS 111 -10.653 -7.439 10.954 879 H HIS 112 H HIS 112 -12.760 -3.080 3.692 880 HA HIS 112 HA HIS 112 -13.475 -0.305 3.996 881 1HB HIS 112 2HB HIS 112 -11.597 -1.783 2.209 882 2HB HIS 112 1HB HIS 112 -12.031 -0.117 1.899 883 HD1 HIS 112 1HD HIS 112 -10.893 1.634 3.293 884 HD2 HIS 112 2HD HIS 112 -10.106 -2.208 4.597 885 HE1 HIS 112 1HE HIS 112 -9.031 1.851 4.975 886 HE2 HIS 112 2HE HIS 112 -8.925 -0.424 6.006 887 H LEU 113 H LEU 113 -14.514 -3.063 2.156 888 HA LEU 113 HA LEU 113 -15.441 -1.836 -0.126 889 1HB LEU 113 2HB LEU 113 -15.102 -4.336 0.493 890 2HB LEU 113 1HB LEU 113 -16.680 -4.163 1.212 891 HG LEU 113 HG LEU 113 -16.098 -3.644 -1.587 892 1HD1 LEU 113 1HD1 LEU 113 -17.145 -5.903 -2.026 893 2HD1 LEU 113 2HD1 LEU 113 -17.167 -6.148 -0.271 894 3HD1 LEU 113 3HD1 LEU 113 -15.630 -5.965 -1.123 895 1HD2 LEU 113 1HD2 LEU 113 -18.558 -3.944 -1.935 896 2HD2 LEU 113 2HD2 LEU 113 -18.153 -2.583 -0.888 897 3HD2 LEU 113 3HD2 LEU 113 -18.731 -4.091 -0.185 898 H ALA 114 H ALA 114 -16.804 -0.235 -0.140 899 HA ALA 114 HA ALA 114 -19.332 -0.479 1.241 900 1HB ALA 114 1HB ALA 114 -19.217 1.845 2.043 901 2HB ALA 114 2HB ALA 114 -17.571 1.973 1.432 902 3HB ALA 114 3HB ALA 114 -17.933 0.867 2.755 Start of MODEL 4 1 H MET 1 H MET 1 -12.254 -0.109 -22.788 2 HA MET 1 HA MET 1 -12.584 0.748 -20.718 3 1HB MET 1 2HB MET 1 -14.381 -1.017 -20.648 4 2HB MET 1 1HB MET 1 -13.222 -2.132 -19.950 5 1HG MET 1 2HG MET 1 -13.079 -0.765 -17.944 6 2HG MET 1 1HG MET 1 -14.161 0.429 -18.654 7 1HE MET 1 1HE MET 1 -14.629 -0.881 -15.780 8 2HE MET 1 2HE MET 1 -16.361 -1.215 -15.831 9 3HE MET 1 3HE MET 1 -15.737 0.296 -16.486 10 H ALA 2 H ALA 2 -10.028 -0.113 -21.566 11 HA ALA 2 HA ALA 2 -8.646 -1.240 -19.306 12 1HB ALA 2 1HB ALA 2 -7.535 -0.010 -21.826 13 2HB ALA 2 2HB ALA 2 -7.882 -1.723 -21.581 14 3HB ALA 2 3HB ALA 2 -6.621 -0.933 -20.635 15 H SER 3 H SER 3 -8.164 -0.110 -17.599 16 HA SER 3 HA SER 3 -7.616 2.761 -17.900 17 1HB SER 3 2HB SER 3 -8.635 1.217 -15.497 18 2HB SER 3 1HB SER 3 -8.423 2.967 -15.602 19 HG SER 3 HG SER 3 -9.880 2.599 -17.571 20 H GLU 4 H GLU 4 -6.070 3.445 -15.956 21 HA GLU 4 HA GLU 4 -3.821 1.674 -15.950 22 1HB GLU 4 2HB GLU 4 -3.562 4.178 -15.821 23 2HB GLU 4 1HB GLU 4 -4.352 4.137 -14.256 24 1HG GLU 4 2HG GLU 4 -2.500 2.903 -13.318 25 2HG GLU 4 1HG GLU 4 -1.728 2.825 -14.903 26 H GLU 5 H GLU 5 -4.309 -0.180 -15.041 27 HA GLU 5 HA GLU 5 -5.334 -0.219 -12.304 28 1HB GLU 5 2HB GLU 5 -7.051 -1.861 -12.985 29 2HB GLU 5 1HB GLU 5 -7.251 -0.344 -13.841 30 1HG GLU 5 2HG GLU 5 -6.055 -1.326 -15.769 31 2HG GLU 5 1HG GLU 5 -6.024 -2.867 -14.929 32 H GLY 6 H GLY 6 -4.627 -2.014 -11.170 33 1HA GLY 6 2HA GLY 6 -3.691 -4.122 -10.843 34 2HA GLY 6 1HA GLY 6 -3.395 -4.227 -12.575 35 H GLN 7 H GLN 7 -2.358 -1.332 -11.288 36 HA GLN 7 HA GLN 7 0.277 -2.394 -10.831 37 1HB GLN 7 2HB GLN 7 1.225 -0.415 -12.041 38 2HB GLN 7 1HB GLN 7 0.555 -1.723 -12.996 39 1HG GLN 7 2HG GLN 7 -1.509 -0.366 -13.292 40 2HG GLN 7 1HG GLN 7 -0.755 0.929 -12.370 41 1HE2 GLN 7 1HE2 GLN 7 0.921 2.066 -13.286 42 2HE2 GLN 7 2HE2 GLN 7 1.220 2.077 -14.985 43 H VAL 8 H VAL 8 1.487 -1.467 -9.548 44 HA VAL 8 HA VAL 8 0.329 0.530 -7.692 45 HB VAL 8 HB VAL 8 2.179 -1.802 -7.090 46 1HG1 VAL 8 1HG1 VAL 8 2.549 0.045 -5.583 47 2HG1 VAL 8 2HG1 VAL 8 1.771 -1.306 -4.754 48 3HG1 VAL 8 3HG1 VAL 8 0.826 0.112 -5.220 49 1HG2 VAL 8 1HG2 VAL 8 0.270 -2.799 -5.939 50 2HG2 VAL 8 2HG2 VAL 8 -0.058 -2.567 -7.657 51 3HG2 VAL 8 3HG2 VAL 8 -0.750 -1.465 -6.469 52 H ILE 9 H ILE 9 1.782 2.248 -6.980 53 HA ILE 9 HA ILE 9 4.105 2.523 -8.668 54 HB ILE 9 HB ILE 9 2.942 4.379 -6.570 55 1HG1 ILE 9 2HG1 ILE 9 2.805 4.468 -9.594 56 2HG1 ILE 9 1HG1 ILE 9 1.481 4.032 -8.524 57 1HG2 ILE 9 1HG2 ILE 9 4.417 6.102 -7.547 58 2HG2 ILE 9 2HG2 ILE 9 5.130 4.882 -8.605 59 3HG2 ILE 9 3HG2 ILE 9 5.341 4.766 -6.855 60 1HD1 ILE 9 1HD1 ILE 9 1.506 6.286 -7.593 61 2HD1 ILE 9 2HD1 ILE 9 1.267 6.306 -9.347 62 3HD1 ILE 9 3HD1 ILE 9 2.849 6.698 -8.659 63 H ALA 10 H ALA 10 5.961 1.612 -8.040 64 HA ALA 10 HA ALA 10 6.430 1.166 -5.206 65 1HB ALA 10 1HB ALA 10 6.758 -0.727 -6.733 66 2HB ALA 10 2HB ALA 10 8.268 -0.271 -5.948 67 3HB ALA 10 3HB ALA 10 7.973 0.195 -7.620 68 H CYS 11 H CYS 11 7.447 2.770 -4.137 69 HA CYS 11 HA CYS 11 9.113 4.598 -5.601 70 1HB CYS 11 2HB CYS 11 8.334 4.525 -2.684 71 2HB CYS 11 1HB CYS 11 9.166 5.806 -3.528 72 HG CYS 11 HG CYS 11 6.016 4.831 -4.398 73 H HIS 12 H HIS 12 11.320 4.861 -5.141 74 HA HIS 12 HA HIS 12 12.485 2.667 -3.569 75 1HB HIS 12 2HB HIS 12 13.580 3.855 -6.124 76 2HB HIS 12 1HB HIS 12 14.366 2.615 -5.156 77 HD1 HIS 12 1HD HIS 12 13.551 0.192 -5.473 78 HD2 HIS 12 2HD HIS 12 11.347 2.995 -7.616 79 HE1 HIS 12 1HE HIS 12 12.091 -1.124 -7.003 80 HE2 HIS 12 2HE HIS 12 11.157 0.611 -8.544 81 H THR 13 H THR 13 11.875 5.768 -3.345 82 HA THR 13 HA THR 13 14.316 6.326 -1.869 83 HB THR 13 HB THR 13 14.310 8.693 -2.802 84 HG1 THR 13 1HG THR 13 12.832 7.626 -4.938 85 1HG2 THR 13 1HG2 THR 13 15.997 7.091 -3.566 86 2HG2 THR 13 2HG2 THR 13 15.478 8.147 -4.884 87 3HG2 THR 13 3HG2 THR 13 14.874 6.495 -4.793 88 H VAL 14 H VAL 14 13.957 7.709 -0.092 89 HA VAL 14 HA VAL 14 11.263 7.885 0.773 90 HB VAL 14 HB VAL 14 13.121 7.580 2.397 91 1HG1 VAL 14 1HG1 VAL 14 14.824 8.962 1.447 92 2HG1 VAL 14 2HG1 VAL 14 14.509 9.480 3.102 93 3HG1 VAL 14 3HG1 VAL 14 13.872 10.413 1.747 94 1HG2 VAL 14 1HG2 VAL 14 12.359 9.154 4.135 95 2HG2 VAL 14 2HG2 VAL 14 11.013 8.431 3.253 96 3HG2 VAL 14 3HG2 VAL 14 11.512 10.083 2.898 97 H GLU 15 H GLU 15 13.387 9.912 -0.956 98 HA GLU 15 HA GLU 15 12.260 12.454 -0.555 99 1HB GLU 15 2HB GLU 15 14.445 11.910 -1.672 100 2HB GLU 15 1HB GLU 15 13.539 11.374 -3.069 101 1HG GLU 15 2HG GLU 15 14.401 13.612 -3.410 102 2HG GLU 15 1HG GLU 15 12.639 13.634 -3.352 103 H THR 16 H THR 16 11.665 10.024 -3.127 104 HA THR 16 HA THR 16 9.481 11.404 -4.275 105 HB THR 16 HB THR 16 10.179 8.448 -4.396 106 HG1 THR 16 1HG THR 16 11.058 10.732 -5.702 107 1HG2 THR 16 1HG2 THR 16 7.851 8.876 -5.089 108 2HG2 THR 16 2HG2 THR 16 8.847 8.421 -6.472 109 3HG2 THR 16 3HG2 THR 16 8.413 10.110 -6.216 110 H TRP 17 H TRP 17 9.757 8.882 -1.847 111 HA TRP 17 HA TRP 17 7.139 8.135 -1.461 112 1HB TRP 17 2HB TRP 17 8.910 6.932 -0.416 113 2HB TRP 17 1HB TRP 17 9.459 8.390 0.402 114 HD1 TRP 17 HD TRP 17 8.809 8.589 2.816 115 HE1 TRP 17 1HE TRP 17 7.104 7.564 4.354 116 HE3 TRP 17 3HE TRP 17 6.236 5.859 -0.648 117 HZ2 TRP 17 2HZ TRP 17 4.873 5.778 4.141 118 HZ3 TRP 17 3HZ TRP 17 4.320 4.526 0.111 119 HH2 TRP 17 HH TRP 17 3.660 4.495 2.475 120 H ASN 18 H ASN 18 8.864 10.725 0.279 121 HA ASN 18 HA ASN 18 6.700 11.560 1.881 122 1HB ASN 18 2HB ASN 18 9.088 12.203 2.233 123 2HB ASN 18 1HB ASN 18 8.965 13.270 0.844 124 1HD2 ASN 18 1HD2 ASN 18 9.385 15.121 2.012 125 2HD2 ASN 18 2HD2 ASN 18 8.285 15.798 3.142 126 H GLU 19 H GLU 19 7.752 12.486 -1.296 127 HA GLU 19 HA GLU 19 6.056 14.681 -1.749 128 1HB GLU 19 2HB GLU 19 8.028 14.260 -3.090 129 2HB GLU 19 1HB GLU 19 7.347 12.753 -3.670 130 1HG GLU 19 2HG GLU 19 5.621 13.961 -4.852 131 2HG GLU 19 1HG GLU 19 6.241 15.491 -4.224 132 H GLN 20 H GLN 20 5.666 11.176 -2.575 133 HA GLN 20 HA GLN 20 3.296 11.378 -3.912 134 1HB GLN 20 2HB GLN 20 4.404 9.254 -2.202 135 2HB GLN 20 1HB GLN 20 3.082 9.042 -3.324 136 1HG GLN 20 2HG GLN 20 5.938 9.725 -4.029 137 2HG GLN 20 1HG GLN 20 5.190 8.147 -4.220 138 1HE2 GLN 20 1HE2 GLN 20 5.589 8.072 -6.376 139 2HE2 GLN 20 2HE2 GLN 20 4.793 9.046 -7.549 140 H LEU 21 H LEU 21 3.992 10.883 -0.399 141 HA LEU 21 HA LEU 21 1.367 10.530 0.344 142 1HB LEU 21 2HB LEU 21 3.832 11.395 1.660 143 2HB LEU 21 1HB LEU 21 2.346 11.155 2.533 144 HG LEU 21 HG LEU 21 4.006 9.075 1.094 145 1HD1 LEU 21 1HD1 LEU 21 4.921 9.792 3.217 146 2HD1 LEU 21 2HD1 LEU 21 4.307 8.141 3.328 147 3HD1 LEU 21 3HD1 LEU 21 3.374 9.478 4.006 148 1HD2 LEU 21 1HD2 LEU 21 1.628 8.536 0.842 149 2HD2 LEU 21 2HD2 LEU 21 1.394 8.723 2.577 150 3HD2 LEU 21 3HD2 LEU 21 2.404 7.417 1.961 151 H GLN 22 H GLN 22 3.469 13.358 0.299 152 HA GLN 22 HA GLN 22 1.749 15.191 1.442 153 1HB GLN 22 2HB GLN 22 4.035 15.756 0.882 154 2HB GLN 22 1HB GLN 22 3.694 15.584 -0.834 155 1HG GLN 22 2HG GLN 22 2.129 17.476 -0.681 156 2HG GLN 22 1HG GLN 22 2.564 17.675 1.014 157 1HE2 GLN 22 1HE2 GLN 22 2.855 19.469 -1.238 158 2HE2 GLN 22 2HE2 GLN 22 4.529 19.865 -1.329 159 H LYS 23 H LYS 23 2.055 14.204 -1.916 160 HA LYS 23 HA LYS 23 0.072 15.861 -2.973 161 1HB LYS 23 2HB LYS 23 1.780 14.782 -4.335 162 2HB LYS 23 1HB LYS 23 1.113 13.207 -3.952 163 1HG LYS 23 2HG LYS 23 -0.901 13.724 -5.175 164 2HG LYS 23 1HG LYS 23 -0.320 15.363 -5.488 165 1HD LYS 23 2HD LYS 23 1.570 14.471 -6.713 166 2HD LYS 23 1HD LYS 23 1.024 12.824 -6.391 167 1HE LYS 23 2HE LYS 23 -1.009 13.247 -7.651 168 2HE LYS 23 1HE LYS 23 -0.506 14.914 -7.931 169 1HZ LYS 23 1HZ LYS 23 1.389 14.100 -9.162 170 2HZ LYS 23 2HZ LYS 23 -0.039 13.476 -9.826 171 3HZ LYS 23 3HZ LYS 23 0.941 12.500 -8.880 172 H ALA 24 H ALA 24 -0.111 12.520 -1.701 173 HA ALA 24 HA ALA 24 -2.851 12.199 -2.398 174 1HB ALA 24 1HB ALA 24 -1.347 10.294 -2.032 175 2HB ALA 24 2HB ALA 24 -2.765 10.209 -0.982 176 3HB ALA 24 3HB ALA 24 -1.213 10.729 -0.329 177 H ASN 25 H ASN 25 -1.154 13.299 0.428 178 HA ASN 25 HA ASN 25 -3.247 13.349 2.328 179 1HB ASN 25 2HB ASN 25 -0.739 13.588 2.702 180 2HB ASN 25 1HB ASN 25 -0.909 15.196 2.112 181 1HD2 ASN 25 1HD2 ASN 25 -1.701 13.127 4.803 182 2HD2 ASN 25 2HD2 ASN 25 -2.114 14.377 5.894 183 H GLU 26 H GLU 26 -1.770 15.847 0.433 184 HA GLU 26 HA GLU 26 -3.542 17.926 1.179 185 1HB GLU 26 2HB GLU 26 -1.323 18.425 0.302 186 2HB GLU 26 1HB GLU 26 -1.768 17.765 -1.262 187 1HG GLU 26 2HG GLU 26 -3.398 19.522 -1.570 188 2HG GLU 26 1HG GLU 26 -3.029 20.173 0.024 189 H SER 27 H SER 27 -3.673 15.683 -1.565 190 HA SER 27 HA SER 27 -5.926 17.035 -2.707 191 1HB SER 27 2HB SER 27 -4.740 14.351 -3.348 192 2HB SER 27 1HB SER 27 -5.831 15.290 -4.366 193 HG SER 27 HG SER 27 -3.154 15.533 -3.901 194 H LYS 28 H LYS 28 -5.460 14.882 -0.172 195 HA LYS 28 HA LYS 28 -6.757 13.648 1.148 196 1HB LYS 28 2HB LYS 28 -8.896 15.180 -0.197 197 2HB LYS 28 1HB LYS 28 -9.219 14.165 1.208 198 1HG LYS 28 2HG LYS 28 -7.576 15.553 2.483 199 2HG LYS 28 1HG LYS 28 -7.441 16.605 1.076 200 1HD LYS 28 2HD LYS 28 -9.829 17.127 1.243 201 2HD LYS 28 1HD LYS 28 -9.964 16.057 2.642 202 1HE LYS 28 2HE LYS 28 -8.299 17.463 3.820 203 2HE LYS 28 1HE LYS 28 -8.271 18.536 2.431 204 1HZ LYS 28 1HZ LYS 28 -10.596 19.047 2.783 205 2HZ LYS 28 2HZ LYS 28 -9.712 19.371 4.169 206 3HZ LYS 28 3HZ LYS 28 -10.671 17.988 4.098 207 H THR 29 H THR 29 -5.969 12.547 -1.314 208 HA THR 29 HA THR 29 -8.173 10.877 -2.169 209 HB THR 29 HB THR 29 -5.306 10.637 -2.957 210 HG1 THR 29 1HG THR 29 -7.325 12.472 -3.665 211 1HG2 THR 29 1HG2 THR 29 -6.752 8.800 -3.647 212 2HG2 THR 29 2HG2 THR 29 -6.254 9.721 -5.064 213 3HG2 THR 29 3HG2 THR 29 -7.875 9.934 -4.402 214 H LEU 30 H LEU 30 -8.185 8.720 -1.840 215 HA LEU 30 HA LEU 30 -7.141 7.852 0.641 216 1HB LEU 30 2HB LEU 30 -9.394 7.231 -0.289 217 2HB LEU 30 1HB LEU 30 -8.603 6.246 -1.487 218 HG LEU 30 HG LEU 30 -8.629 5.688 1.500 219 1HD1 LEU 30 1HD1 LEU 30 -10.198 3.910 0.905 220 2HD1 LEU 30 2HD1 LEU 30 -10.215 4.498 -0.758 221 3HD1 LEU 30 3HD1 LEU 30 -10.830 5.515 0.545 222 1HD2 LEU 30 1HD2 LEU 30 -6.688 4.693 0.304 223 2HD2 LEU 30 2HD2 LEU 30 -7.832 3.885 -0.786 224 3HD2 LEU 30 3HD2 LEU 30 -7.814 3.490 0.928 225 H VAL 31 H VAL 31 -5.229 6.609 0.942 226 HA VAL 31 HA VAL 31 -3.917 5.561 -1.430 227 HB VAL 31 HB VAL 31 -2.884 7.694 -0.835 228 1HG1 VAL 31 1HG1 VAL 31 -3.416 7.831 1.510 229 2HG1 VAL 31 2HG1 VAL 31 -1.685 8.039 1.263 230 3HG1 VAL 31 3HG1 VAL 31 -2.310 6.502 1.860 231 1HG2 VAL 31 1HG2 VAL 31 -0.540 6.966 -0.598 232 2HG2 VAL 31 2HG2 VAL 31 -1.429 5.994 -1.772 233 3HG2 VAL 31 3HG2 VAL 31 -1.106 5.355 -0.159 234 H VAL 32 H VAL 32 -2.999 3.591 -1.217 235 HA VAL 32 HA VAL 32 -2.876 2.365 1.451 236 HB VAL 32 HB VAL 32 -3.673 1.025 -1.104 237 1HG1 VAL 32 1HG1 VAL 32 -4.135 -0.980 0.306 238 2HG1 VAL 32 2HG1 VAL 32 -3.500 -0.108 1.701 239 3HG1 VAL 32 3HG1 VAL 32 -2.437 -0.504 0.352 240 1HG2 VAL 32 1HG2 VAL 32 -5.356 1.654 1.316 241 2HG2 VAL 32 2HG2 VAL 32 -5.888 0.675 -0.049 242 3HG2 VAL 32 3HG2 VAL 32 -5.496 2.381 -0.284 243 H VAL 33 H VAL 33 -0.956 1.429 1.906 244 HA VAL 33 HA VAL 33 0.972 1.134 -0.301 245 HB VAL 33 HB VAL 33 1.601 2.213 2.451 246 1HG1 VAL 33 1HG1 VAL 33 3.327 1.945 0.004 247 2HG1 VAL 33 2HG1 VAL 33 3.434 0.984 1.479 248 3HG1 VAL 33 3HG1 VAL 33 3.819 2.701 1.520 249 1HG2 VAL 33 1HG2 VAL 33 0.330 3.873 1.234 250 2HG2 VAL 33 2HG2 VAL 33 1.357 3.690 -0.173 251 3HG2 VAL 33 3HG2 VAL 33 2.014 4.394 1.305 252 H ASP 34 H ASP 34 1.954 -0.974 -0.304 253 HA ASP 34 HA ASP 34 1.665 -2.424 2.109 254 1HB ASP 34 2HB ASP 34 1.980 -4.279 0.765 255 2HB ASP 34 1HB ASP 34 0.690 -3.343 0.025 256 H PHE 35 H PHE 35 3.421 -2.861 3.268 257 HA PHE 35 HA PHE 35 6.032 -2.169 2.220 258 1HB PHE 35 2HB PHE 35 5.035 -2.874 4.984 259 2HB PHE 35 1HB PHE 35 6.694 -2.465 4.587 260 HD1 PHE 35 1HD PHE 35 7.323 -0.169 4.112 261 HD2 PHE 35 2HD PHE 35 3.294 -1.174 5.050 262 HE1 PHE 35 1HE PHE 35 6.816 2.209 4.477 263 HE2 PHE 35 2HE PHE 35 2.783 1.202 5.411 264 HZ PHE 35 HZ PHE 35 4.543 2.897 5.125 265 H THR 36 H THR 36 7.194 -3.797 1.396 266 HA THR 36 HA THR 36 6.965 -6.491 2.443 267 HB THR 36 HB THR 36 5.057 -6.276 0.840 268 HG1 THR 36 1HG THR 36 5.627 -8.005 -0.496 269 1HG2 THR 36 1HG2 THR 36 5.510 -5.986 -1.558 270 2HG2 THR 36 2HG2 THR 36 7.210 -5.682 -1.193 271 3HG2 THR 36 3HG2 THR 36 5.973 -4.559 -0.627 272 H ALA 37 H ALA 37 8.429 -7.892 0.909 273 HA ALA 37 HA ALA 37 10.589 -6.314 -0.256 274 1HB ALA 37 1HB ALA 37 12.296 -7.771 0.721 275 2HB ALA 37 2HB ALA 37 11.048 -8.636 1.613 276 3HB ALA 37 3HB ALA 37 11.377 -6.942 1.978 277 H SER 38 H SER 38 11.295 -7.087 -2.074 278 HA SER 38 HA SER 38 9.773 -8.906 -3.523 279 1HB SER 38 2HB SER 38 12.576 -7.943 -4.090 280 2HB SER 38 1HB SER 38 11.430 -8.588 -5.269 281 HG SER 38 HG SER 38 11.293 -6.199 -3.758 282 H TRP 39 H TRP 39 12.613 -9.482 -1.524 283 HA TRP 39 HA TRP 39 13.018 -12.110 -2.627 284 1HB TRP 39 2HB TRP 39 14.762 -12.392 -0.823 285 2HB TRP 39 1HB TRP 39 15.029 -11.065 -1.931 286 HD1 TRP 39 HD TRP 39 15.679 -8.900 -0.844 287 HE1 TRP 39 1HE TRP 39 15.639 -7.878 1.511 288 HE3 TRP 39 3HE TRP 39 13.065 -12.552 1.604 289 HZ2 TRP 39 2HZ TRP 39 14.625 -8.497 4.044 290 HZ3 TRP 39 3HZ TRP 39 12.600 -12.242 4.006 291 HH2 TRP 39 HH TRP 39 13.368 -10.258 5.193 292 H CYS 40 H CYS 40 10.755 -10.994 -0.576 293 HA CYS 40 HA CYS 40 10.843 -13.265 1.241 294 1HB CYS 40 2HB CYS 40 10.386 -11.180 2.279 295 2HB CYS 40 1HB CYS 40 9.119 -10.777 1.142 296 H GLY 41 H GLY 41 9.745 -15.062 0.944 297 1HA GLY 41 2HA GLY 41 8.460 -15.730 -1.423 298 2HA GLY 41 1HA GLY 41 8.344 -16.635 0.071 299 HA PRO 42 HA PRO 42 4.066 -15.691 0.582 300 1HB PRO 42 2HB PRO 42 3.874 -14.429 3.040 301 2HB PRO 42 1HB PRO 42 4.001 -16.177 2.823 302 1HG PRO 42 2HG PRO 42 6.141 -14.191 3.473 303 2HG PRO 42 1HG PRO 42 5.882 -15.812 4.145 304 1HD PRO 42 2HD PRO 42 7.759 -15.369 2.296 305 2HD PRO 42 1HD PRO 42 6.794 -16.859 2.276 306 H CYS 43 H CYS 43 6.236 -13.090 1.259 307 HA CYS 43 HA CYS 43 4.393 -10.939 1.088 308 1HB CYS 43 2HB CYS 43 7.339 -10.957 0.541 309 2HB CYS 43 1HB CYS 43 6.379 -9.551 0.976 310 H ARG 44 H ARG 44 6.542 -12.529 -1.275 311 HA ARG 44 HA ARG 44 5.750 -10.718 -3.348 312 1HB ARG 44 2HB ARG 44 7.992 -11.814 -3.337 313 2HB ARG 44 1HB ARG 44 7.208 -13.364 -3.617 314 1HG ARG 44 2HG ARG 44 6.341 -12.548 -5.749 315 2HG ARG 44 1HG ARG 44 7.106 -10.988 -5.466 316 1HD ARG 44 2HD ARG 44 9.301 -12.122 -5.421 317 2HD ARG 44 1HD ARG 44 8.492 -13.642 -5.805 318 HE ARG 44 HE ARG 44 7.800 -11.645 -7.673 319 1HH1 ARG 44 1HH1 ARG 44 10.440 -13.849 -6.866 320 2HH1 ARG 44 2HH1 ARG 44 11.118 -13.842 -8.425 321 1HH2 ARG 44 1HH2 ARG 44 8.697 -11.623 -9.789 322 2HH2 ARG 44 2HH2 ARG 44 10.087 -12.533 -10.152 323 H PHE 45 H PHE 45 4.747 -13.793 -2.134 324 HA PHE 45 HA PHE 45 3.095 -14.589 -4.293 325 1HB PHE 45 2HB PHE 45 3.836 -16.175 -2.581 326 2HB PHE 45 1HB PHE 45 2.946 -15.294 -1.352 327 HD1 PHE 45 1HD PHE 45 0.561 -15.632 -1.055 328 HD2 PHE 45 2HD PHE 45 2.645 -17.477 -4.293 329 HE1 PHE 45 1HE PHE 45 -1.377 -17.060 -1.484 330 HE2 PHE 45 2HE PHE 45 0.689 -18.907 -4.725 331 HZ PHE 45 HZ PHE 45 -1.321 -18.699 -3.323 332 H ILE 46 H ILE 46 2.608 -12.437 -1.591 333 HA ILE 46 HA ILE 46 -0.247 -12.330 -2.067 334 HB ILE 46 HB ILE 46 0.737 -12.236 0.264 335 1HG1 ILE 46 2HG1 ILE 46 -0.736 -10.401 1.103 336 2HG1 ILE 46 1HG1 ILE 46 -1.003 -9.914 -0.572 337 1HG2 ILE 46 1HG2 ILE 46 1.655 -10.148 1.110 338 2HG2 ILE 46 2HG2 ILE 46 1.575 -9.460 -0.515 339 3HG2 ILE 46 3HG2 ILE 46 2.644 -10.818 -0.189 340 1HD1 ILE 46 1HD1 ILE 46 -2.002 -12.076 -1.032 341 2HD1 ILE 46 2HD1 ILE 46 -2.822 -11.270 0.322 342 3HD1 ILE 46 3HD1 ILE 46 -1.646 -12.564 0.623 343 H ALA 47 H ALA 47 2.527 -10.825 -3.219 344 HA ALA 47 HA ALA 47 1.711 -8.197 -3.629 345 1HB ALA 47 1HB ALA 47 4.049 -8.934 -3.849 346 2HB ALA 47 2HB ALA 47 3.513 -7.991 -5.243 347 3HB ALA 47 3HB ALA 47 3.635 -9.747 -5.357 348 HA PRO 48 HA PRO 48 0.047 -9.490 -8.085 349 1HB PRO 48 2HB PRO 48 -1.114 -12.013 -8.031 350 2HB PRO 48 1HB PRO 48 0.442 -11.629 -8.771 351 1HG PRO 48 2HG PRO 48 -0.138 -12.786 -6.084 352 2HG PRO 48 1HG PRO 48 1.144 -13.215 -7.232 353 1HD PRO 48 2HD PRO 48 1.660 -11.719 -5.093 354 2HD PRO 48 1HD PRO 48 2.436 -11.376 -6.653 355 H PHE 49 H PHE 49 -1.227 -10.801 -5.089 356 HA PHE 49 HA PHE 49 -3.970 -10.431 -5.759 357 1HB PHE 49 2HB PHE 49 -3.194 -11.985 -3.960 358 2HB PHE 49 1HB PHE 49 -2.721 -10.591 -3.000 359 HD1 PHE 49 1HD PHE 49 -5.542 -12.461 -4.387 360 HD2 PHE 49 2HD PHE 49 -4.358 -9.293 -1.820 361 HE1 PHE 49 1HE PHE 49 -7.814 -12.370 -3.458 362 HE2 PHE 49 2HE PHE 49 -6.641 -9.193 -0.886 363 HZ PHE 49 HZ PHE 49 -8.364 -10.749 -1.723 364 H PHE 50 H PHE 50 -1.529 -8.483 -4.195 365 HA PHE 50 HA PHE 50 -3.279 -6.336 -3.534 366 1HB PHE 50 2HB PHE 50 -1.090 -6.775 -2.380 367 2HB PHE 50 1HB PHE 50 -0.260 -6.291 -3.850 368 HD1 PHE 50 1HD PHE 50 -2.339 -5.134 -1.051 369 HD2 PHE 50 2HD PHE 50 -0.005 -3.991 -4.402 370 HE1 PHE 50 1HE PHE 50 -2.372 -2.814 -0.262 371 HE2 PHE 50 2HE PHE 50 -0.032 -1.651 -3.625 372 HZ PHE 50 HZ PHE 50 -1.213 -1.062 -1.553 373 H ALA 51 H ALA 51 -1.287 -7.175 -6.273 374 HA ALA 51 HA ALA 51 -1.638 -4.756 -7.733 375 1HB ALA 51 1HB ALA 51 -0.920 -6.046 -9.696 376 2HB ALA 51 2HB ALA 51 -1.134 -7.544 -8.794 377 3HB ALA 51 3HB ALA 51 0.115 -6.394 -8.308 378 H ASP 52 H ASP 52 -3.439 -7.751 -7.519 379 HA ASP 52 HA ASP 52 -5.468 -7.281 -9.410 380 1HB ASP 52 2HB ASP 52 -5.130 -9.424 -8.264 381 2HB ASP 52 1HB ASP 52 -5.586 -8.685 -6.762 382 H LEU 53 H LEU 53 -5.287 -6.648 -5.989 383 HA LEU 53 HA LEU 53 -7.626 -5.305 -5.452 384 1HB LEU 53 2HB LEU 53 -5.455 -5.991 -4.095 385 2HB LEU 53 1HB LEU 53 -5.000 -4.339 -4.410 386 HG LEU 53 HG LEU 53 -7.304 -5.383 -2.943 387 1HD1 LEU 53 1HD1 LEU 53 -5.240 -5.510 -1.677 388 2HD1 LEU 53 2HD1 LEU 53 -6.203 -4.214 -0.969 389 3HD1 LEU 53 3HD1 LEU 53 -4.860 -3.827 -2.038 390 1HD2 LEU 53 1HD2 LEU 53 -8.056 -3.359 -4.009 391 2HD2 LEU 53 2HD2 LEU 53 -6.635 -2.483 -3.439 392 3HD2 LEU 53 3HD2 LEU 53 -7.858 -3.027 -2.287 393 H ALA 54 H ALA 54 -4.547 -3.980 -6.608 394 HA ALA 54 HA ALA 54 -5.299 -1.306 -6.925 395 1HB ALA 54 1HB ALA 54 -3.237 -2.841 -8.504 396 2HB ALA 54 2HB ALA 54 -2.963 -2.070 -6.944 397 3HB ALA 54 3HB ALA 54 -3.337 -1.087 -8.357 398 H LYS 55 H LYS 55 -5.770 -4.063 -8.974 399 HA LYS 55 HA LYS 55 -6.583 -2.535 -11.249 400 1HB LYS 55 2HB LYS 55 -5.648 -4.820 -11.482 401 2HB LYS 55 1HB LYS 55 -7.065 -5.459 -10.662 402 1HG LYS 55 2HG LYS 55 -8.464 -4.504 -12.479 403 2HG LYS 55 1HG LYS 55 -6.981 -4.065 -13.320 404 1HD LYS 55 2HD LYS 55 -6.317 -6.431 -13.327 405 2HD LYS 55 1HD LYS 55 -7.846 -6.845 -12.550 406 1HE LYS 55 2HE LYS 55 -7.462 -5.620 -15.282 407 2HE LYS 55 1HE LYS 55 -8.045 -7.242 -14.921 408 1HZ LYS 55 1HZ LYS 55 -9.898 -5.880 -15.469 409 2HZ LYS 55 2HZ LYS 55 -9.408 -4.664 -14.440 410 3HZ LYS 55 3HZ LYS 55 -9.997 -6.113 -13.793 411 H LYS 56 H LYS 56 -8.114 -4.230 -8.616 412 HA LYS 56 HA LYS 56 -10.762 -4.045 -9.622 413 1HB LYS 56 2HB LYS 56 -9.890 -5.737 -7.982 414 2HB LYS 56 1HB LYS 56 -9.854 -4.467 -6.776 415 1HG LYS 56 2HG LYS 56 -12.268 -4.220 -6.934 416 2HG LYS 56 1HG LYS 56 -12.320 -5.461 -8.192 417 1HD LYS 56 2HD LYS 56 -11.297 -7.053 -6.596 418 2HD LYS 56 1HD LYS 56 -11.397 -5.813 -5.351 419 1HE LYS 56 2HE LYS 56 -13.729 -7.001 -6.844 420 2HE LYS 56 1HE LYS 56 -13.238 -7.431 -5.212 421 1HZ LYS 56 1HZ LYS 56 -15.061 -5.874 -5.207 422 2HZ LYS 56 2HZ LYS 56 -14.181 -4.753 -6.091 423 3HZ LYS 56 3HZ LYS 56 -13.697 -5.160 -4.517 424 H LEU 57 H LEU 57 -8.834 -2.133 -7.312 425 HA LEU 57 HA LEU 57 -10.871 -0.070 -7.467 426 1HB LEU 57 2HB LEU 57 -8.840 -0.668 -5.328 427 2HB LEU 57 1HB LEU 57 -9.707 0.835 -5.422 428 HG LEU 57 HG LEU 57 -11.835 -0.462 -5.091 429 1HD1 LEU 57 1HD1 LEU 57 -9.983 -2.752 -4.455 430 2HD1 LEU 57 2HD1 LEU 57 -11.097 -2.656 -5.819 431 3HD1 LEU 57 3HD1 LEU 57 -11.725 -2.720 -4.172 432 1HD2 LEU 57 1HD2 LEU 57 -9.752 -0.656 -2.930 433 2HD2 LEU 57 2HD2 LEU 57 -11.482 -0.833 -2.675 434 3HD2 LEU 57 3HD2 LEU 57 -10.828 0.707 -3.243 435 HA PRO 58 HA PRO 58 -7.211 1.599 -9.676 436 1HB PRO 58 2HB PRO 58 -8.459 2.565 -11.827 437 2HB PRO 58 1HB PRO 58 -8.167 0.830 -11.657 438 1HG PRO 58 2HG PRO 58 -10.683 2.375 -11.205 439 2HG PRO 58 1HG PRO 58 -10.461 0.780 -11.948 440 1HD PRO 58 2HD PRO 58 -11.248 1.212 -9.301 441 2HD PRO 58 1HD PRO 58 -10.541 -0.286 -9.933 442 H ASN 59 H ASN 59 -9.718 2.868 -8.058 443 HA ASN 59 HA ASN 59 -9.156 5.702 -8.681 444 1HB ASN 59 2HB ASN 59 -11.543 4.889 -8.813 445 2HB ASN 59 1HB ASN 59 -11.431 4.493 -7.105 446 1HD2 ASN 59 1HD2 ASN 59 -13.133 5.881 -6.588 447 2HD2 ASN 59 2HD2 ASN 59 -12.950 7.596 -6.596 448 H VAL 60 H VAL 60 -7.725 3.618 -6.988 449 HA VAL 60 HA VAL 60 -7.458 5.210 -4.565 450 HB VAL 60 HB VAL 60 -7.331 2.178 -4.780 451 1HG1 VAL 60 1HG1 VAL 60 -6.967 2.234 -2.327 452 2HG1 VAL 60 2HG1 VAL 60 -6.783 3.997 -2.438 453 3HG1 VAL 60 3HG1 VAL 60 -5.644 2.938 -3.253 454 1HG2 VAL 60 1HG2 VAL 60 -9.220 2.200 -3.221 455 2HG2 VAL 60 2HG2 VAL 60 -9.619 3.037 -4.725 456 3HG2 VAL 60 3HG2 VAL 60 -9.242 3.961 -3.272 457 H LEU 61 H LEU 61 -5.390 5.664 -4.001 458 HA LEU 61 HA LEU 61 -3.397 5.113 -6.033 459 1HB LEU 61 2HB LEU 61 -3.716 7.390 -5.165 460 2HB LEU 61 1HB LEU 61 -3.358 6.835 -3.549 461 HG LEU 61 HG LEU 61 -1.063 6.294 -4.276 462 1HD1 LEU 61 1HD1 LEU 61 -1.884 7.624 -6.851 463 2HD1 LEU 61 2HD1 LEU 61 -1.442 5.928 -6.639 464 3HD1 LEU 61 3HD1 LEU 61 -0.237 7.190 -6.399 465 1HD2 LEU 61 1HD2 LEU 61 -1.554 8.410 -3.191 466 2HD2 LEU 61 2HD2 LEU 61 -1.927 9.146 -4.751 467 3HD2 LEU 61 3HD2 LEU 61 -0.284 8.607 -4.394 468 H PHE 62 H PHE 62 -2.198 3.328 -5.819 469 HA PHE 62 HA PHE 62 -1.634 2.322 -3.113 470 1HB PHE 62 2HB PHE 62 -1.528 0.799 -5.697 471 2HB PHE 62 1HB PHE 62 -1.224 0.158 -4.113 472 HD1 PHE 62 1HD PHE 62 -2.987 -0.325 -2.563 473 HD2 PHE 62 2HD PHE 62 -3.841 1.259 -6.401 474 HE1 PHE 62 1HE PHE 62 -5.346 -0.953 -2.287 475 HE2 PHE 62 2HE PHE 62 -6.196 0.640 -6.140 476 HZ PHE 62 HZ PHE 62 -6.957 -0.466 -4.084 477 H LEU 63 H LEU 63 0.375 1.975 -2.537 478 HA LEU 63 HA LEU 63 2.498 2.298 -4.487 479 1HB LEU 63 2HB LEU 63 2.407 3.648 -1.802 480 2HB LEU 63 1HB LEU 63 3.861 3.432 -2.732 481 HG LEU 63 HG LEU 63 2.727 4.787 -4.560 482 1HD1 LEU 63 1HD1 LEU 63 0.981 6.333 -3.867 483 2HD1 LEU 63 2HD1 LEU 63 0.859 5.495 -2.317 484 3HD1 LEU 63 3HD1 LEU 63 0.439 4.656 -3.814 485 1HD2 LEU 63 1HD2 LEU 63 4.505 5.679 -3.191 486 2HD2 LEU 63 2HD2 LEU 63 3.347 6.118 -1.932 487 3HD2 LEU 63 3HD2 LEU 63 3.291 6.917 -3.502 488 H LYS 64 H LYS 64 4.359 1.252 -4.042 489 HA LYS 64 HA LYS 64 4.181 -0.881 -2.004 490 1HB LYS 64 2HB LYS 64 3.896 -1.783 -4.193 491 2HB LYS 64 1HB LYS 64 5.338 -0.951 -4.752 492 1HG LYS 64 2HG LYS 64 6.760 -2.299 -3.487 493 2HG LYS 64 1HG LYS 64 5.431 -2.915 -2.502 494 1HD LYS 64 2HD LYS 64 5.365 -3.261 -5.384 495 2HD LYS 64 1HD LYS 64 6.461 -4.329 -4.454 496 1HE LYS 64 2HE LYS 64 4.283 -5.467 -4.761 497 2HE LYS 64 1HE LYS 64 4.509 -4.964 -3.087 498 1HZ LYS 64 1HZ LYS 64 2.998 -3.168 -3.375 499 2HZ LYS 64 2HZ LYS 64 2.303 -4.577 -3.816 500 3HZ LYS 64 3HZ LYS 64 2.792 -3.505 -5.043 501 H VAL 65 H VAL 65 5.696 -0.900 -0.574 502 HA VAL 65 HA VAL 65 8.185 0.541 -1.154 503 HB VAL 65 HB VAL 65 6.806 0.140 1.525 504 1HG1 VAL 65 1HG1 VAL 65 9.419 1.530 0.917 505 2HG1 VAL 65 2HG1 VAL 65 9.236 0.002 1.777 506 3HG1 VAL 65 3HG1 VAL 65 8.611 1.493 2.484 507 1HG2 VAL 65 1HG2 VAL 65 5.785 1.874 0.158 508 2HG2 VAL 65 2HG2 VAL 65 7.356 2.638 -0.069 509 3HG2 VAL 65 3HG2 VAL 65 6.625 2.584 1.535 510 H ASP 66 H ASP 66 9.810 -0.794 -1.442 511 HA ASP 66 HA ASP 66 9.704 -3.484 -0.374 512 1HB ASP 66 2HB ASP 66 10.600 -2.961 -2.699 513 2HB ASP 66 1HB ASP 66 11.918 -2.144 -1.859 514 H THR 67 H THR 67 10.305 -3.801 1.616 515 HA THR 67 HA THR 67 11.500 -1.739 3.148 516 HB THR 67 HB THR 67 11.344 -3.403 5.025 517 HG1 THR 67 1HG THR 67 11.072 -5.415 4.498 518 1HG2 THR 67 1HG2 THR 67 8.886 -3.437 5.051 519 2HG2 THR 67 2HG2 THR 67 8.858 -3.042 3.334 520 3HG2 THR 67 3HG2 THR 67 9.478 -1.871 4.495 521 H ASP 68 H ASP 68 12.886 -4.166 1.287 522 HA ASP 68 HA ASP 68 15.275 -4.445 2.888 523 1HB ASP 68 2HB ASP 68 14.519 -6.234 1.331 524 2HB ASP 68 1HB ASP 68 14.776 -5.124 -0.005 525 H GLU 69 H GLU 69 14.220 -2.838 -0.058 526 HA GLU 69 HA GLU 69 16.544 -1.366 -0.510 527 1HB GLU 69 2HB GLU 69 13.692 -1.080 -1.325 528 2HB GLU 69 1HB GLU 69 14.950 0.000 -1.873 529 1HG GLU 69 2HG GLU 69 16.120 -1.923 -2.877 530 2HG GLU 69 1HG GLU 69 14.812 -2.968 -2.317 531 H LEU 70 H LEU 70 13.322 -0.326 0.775 532 HA LEU 70 HA LEU 70 14.592 2.030 1.735 533 1HB LEU 70 2HB LEU 70 11.749 1.233 1.312 534 2HB LEU 70 1HB LEU 70 12.262 2.735 2.033 535 HG LEU 70 HG LEU 70 12.845 1.842 -0.796 536 1HD1 LEU 70 1HD1 LEU 70 10.518 2.445 -0.518 537 2HD1 LEU 70 2HD1 LEU 70 11.364 3.678 -1.445 538 3HD1 LEU 70 3HD1 LEU 70 10.983 3.962 0.252 539 1HD2 LEU 70 1HD2 LEU 70 13.717 4.103 -1.118 540 2HD2 LEU 70 2HD2 LEU 70 14.655 3.216 0.078 541 3HD2 LEU 70 3HD2 LEU 70 13.489 4.438 0.596 542 H LYS 71 H LYS 71 15.609 0.859 3.444 543 HA LYS 71 HA LYS 71 14.065 -0.408 5.466 544 1HB LYS 71 2HB LYS 71 16.889 0.648 5.627 545 2HB LYS 71 1HB LYS 71 16.119 -0.359 6.840 546 1HG LYS 71 2HG LYS 71 15.872 -2.141 5.122 547 2HG LYS 71 1HG LYS 71 16.791 -1.134 4.007 548 1HD LYS 71 2HD LYS 71 18.681 -1.138 5.586 549 2HD LYS 71 1HD LYS 71 17.749 -2.159 6.676 550 1HE LYS 71 2HE LYS 71 19.290 -3.542 5.436 551 2HE LYS 71 1HE LYS 71 17.650 -3.892 4.914 552 1HZ LYS 71 1HZ LYS 71 18.005 -2.517 2.954 553 2HZ LYS 71 2HZ LYS 71 19.188 -3.714 3.050 554 3HZ LYS 71 3HZ LYS 71 19.557 -2.129 3.488 555 H SER 72 H SER 72 15.356 2.854 5.052 556 HA SER 72 HA SER 72 14.832 3.798 7.635 557 1HB SER 72 2HB SER 72 14.791 5.422 5.111 558 2HB SER 72 1HB SER 72 15.203 5.954 6.731 559 HG SER 72 HG SER 72 17.053 4.679 6.674 560 H VAL 73 H VAL 73 12.935 3.886 4.651 561 HA VAL 73 HA VAL 73 10.751 5.341 5.637 562 HB VAL 73 HB VAL 73 10.766 3.221 3.458 563 1HG1 VAL 73 1HG1 VAL 73 8.722 5.364 4.037 564 2HG1 VAL 73 2HG1 VAL 73 8.496 3.633 4.266 565 3HG1 VAL 73 3HG1 VAL 73 8.715 4.290 2.641 566 1HG2 VAL 73 1HG2 VAL 73 11.012 6.221 3.312 567 2HG2 VAL 73 2HG2 VAL 73 10.879 5.151 1.927 568 3HG2 VAL 73 3HG2 VAL 73 12.292 5.056 2.981 569 H ALA 74 H ALA 74 11.368 1.874 5.579 570 HA ALA 74 HA ALA 74 8.923 1.052 6.677 571 1HB ALA 74 1HB ALA 74 10.516 -0.467 5.585 572 2HB ALA 74 2HB ALA 74 10.041 -1.039 7.184 573 3HB ALA 74 3HB ALA 74 11.616 -0.272 6.951 574 H SER 75 H SER 75 12.011 1.907 8.225 575 HA SER 75 HA SER 75 11.078 1.341 10.821 576 1HB SER 75 2HB SER 75 13.135 2.570 11.584 577 2HB SER 75 1HB SER 75 13.444 1.266 10.440 578 HG SER 75 HG SER 75 13.042 3.663 9.172 579 H ASP 76 H ASP 76 10.820 4.168 8.814 580 HA ASP 76 HA ASP 76 10.336 6.080 10.828 581 1HB ASP 76 2HB ASP 76 10.837 6.650 8.466 582 2HB ASP 76 1HB ASP 76 9.266 6.020 7.995 583 H TRP 77 H TRP 77 8.226 3.831 9.126 584 HA TRP 77 HA TRP 77 5.964 4.796 10.621 585 1HB TRP 77 2HB TRP 77 6.165 2.756 8.454 586 2HB TRP 77 1HB TRP 77 4.639 3.203 9.222 587 HD1 TRP 77 HD TRP 77 7.021 4.212 6.525 588 HE1 TRP 77 1HE TRP 77 6.199 6.345 5.382 589 HE3 TRP 77 3HE TRP 77 3.323 5.526 9.796 590 HZ2 TRP 77 2HZ TRP 77 4.253 8.328 5.784 591 HZ3 TRP 77 3HZ TRP 77 2.025 7.576 9.331 592 HH2 TRP 77 HH TRP 77 2.482 8.937 7.372 593 H ALA 78 H ALA 78 8.380 2.916 11.379 594 HA ALA 78 HA ALA 78 8.830 1.350 12.938 595 1HB ALA 78 1HB ALA 78 7.216 0.967 14.734 596 2HB ALA 78 2HB ALA 78 5.952 1.740 13.776 597 3HB ALA 78 3HB ALA 78 7.327 2.685 14.348 598 H ILE 79 H ILE 79 7.692 0.597 10.304 599 HA ILE 79 HA ILE 79 6.127 -1.769 10.711 600 HB ILE 79 HB ILE 79 7.674 -0.866 8.257 601 1HG1 ILE 79 2HG1 ILE 79 5.957 0.751 8.900 602 2HG1 ILE 79 1HG1 ILE 79 5.511 -0.056 7.403 603 1HG2 ILE 79 1HG2 ILE 79 7.226 -3.254 8.172 604 2HG2 ILE 79 2HG2 ILE 79 6.229 -2.403 6.994 605 3HG2 ILE 79 3HG2 ILE 79 5.521 -2.962 8.509 606 1HD1 ILE 79 1HD1 ILE 79 3.585 0.222 8.842 607 2HD1 ILE 79 2HD1 ILE 79 4.405 -0.621 10.152 608 3HD1 ILE 79 3HD1 ILE 79 3.972 -1.490 8.678 609 H GLN 80 H GLN 80 7.075 -3.262 11.907 610 HA GLN 80 HA GLN 80 9.866 -3.960 11.454 611 1HB GLN 80 2HB GLN 80 7.934 -4.855 13.586 612 2HB GLN 80 1HB GLN 80 9.653 -5.200 13.531 613 1HG GLN 80 2HG GLN 80 10.119 -2.793 13.752 614 2HG GLN 80 1HG GLN 80 8.387 -2.495 13.848 615 1HE2 GLN 80 1HE2 GLN 80 11.132 -3.795 15.447 616 2HE2 GLN 80 2HE2 GLN 80 10.451 -3.895 17.023 617 H ALA 81 H ALA 81 6.613 -5.231 11.384 618 HA ALA 81 HA ALA 81 7.563 -7.849 10.637 619 1HB ALA 81 1HB ALA 81 5.720 -7.662 12.208 620 2HB ALA 81 2HB ALA 81 5.208 -8.489 10.733 621 3HB ALA 81 3HB ALA 81 4.782 -6.795 10.999 622 H MET 82 H MET 82 7.061 -8.853 8.711 623 HA MET 82 HA MET 82 6.177 -7.127 6.543 624 1HB MET 82 2HB MET 82 8.475 -9.054 6.574 625 2HB MET 82 1HB MET 82 7.844 -8.276 5.154 626 1HG MET 82 2HG MET 82 8.569 -6.136 5.837 627 2HG MET 82 1HG MET 82 8.887 -6.692 7.480 628 1HE MET 82 1HE MET 82 9.906 -7.331 3.723 629 2HE MET 82 2HE MET 82 9.788 -8.937 4.452 630 3HE MET 82 3HE MET 82 11.354 -8.309 3.952 631 HA PRO 83 HA PRO 83 5.459 -7.246 4.806 632 1HB PRO 83 2HB PRO 83 3.348 -7.523 3.173 633 2HB PRO 83 1HB PRO 83 4.881 -8.333 2.838 634 1HG PRO 83 2HG PRO 83 2.356 -9.458 3.940 635 2HG PRO 83 1HG PRO 83 3.546 -10.212 2.871 636 1HD PRO 83 2HD PRO 83 3.353 -10.565 5.657 637 2HD PRO 83 1HD PRO 83 4.716 -11.041 4.631 638 H THR 84 H THR 84 4.082 -5.375 5.058 639 HA THR 84 HA THR 84 1.714 -5.793 6.708 640 HB THR 84 HB THR 84 3.730 -3.654 6.977 641 HG1 THR 84 1HG THR 84 4.591 -5.230 8.266 642 1HG2 THR 84 1HG2 THR 84 1.527 -2.748 7.459 643 2HG2 THR 84 2HG2 THR 84 2.410 -2.905 8.982 644 3HG2 THR 84 3HG2 THR 84 1.183 -4.092 8.547 645 H PHE 85 H PHE 85 -0.073 -4.840 5.908 646 HA PHE 85 HA PHE 85 0.254 -3.120 3.581 647 1HB PHE 85 2HB PHE 85 -2.087 -4.698 4.633 648 2HB PHE 85 1HB PHE 85 -2.057 -3.745 3.163 649 HD1 PHE 85 1HD PHE 85 -0.986 -6.839 4.769 650 HD2 PHE 85 2HD PHE 85 -0.852 -4.516 1.213 651 HE1 PHE 85 1HE PHE 85 -0.169 -8.793 3.531 652 HE2 PHE 85 2HE PHE 85 -0.034 -6.466 -0.034 653 HZ PHE 85 HZ PHE 85 0.306 -8.600 1.119 654 H MET 86 H MET 86 -0.140 -1.031 3.915 655 HA MET 86 HA MET 86 -1.585 -0.289 6.350 656 1HB MET 86 2HB MET 86 0.747 0.334 6.241 657 2HB MET 86 1HB MET 86 0.465 1.179 4.722 658 1HG MET 86 2HG MET 86 -0.978 2.753 5.919 659 2HG MET 86 1HG MET 86 -0.637 1.922 7.430 660 1HE MET 86 1HE MET 86 0.210 4.157 8.524 661 2HE MET 86 2HE MET 86 -0.134 5.010 7.019 662 3HE MET 86 3HE MET 86 1.434 5.202 7.803 663 H PHE 87 H PHE 87 -3.501 0.575 6.069 664 HA PHE 87 HA PHE 87 -4.318 1.530 3.461 665 1HB PHE 87 2HB PHE 87 -5.727 0.359 5.821 666 2HB PHE 87 1HB PHE 87 -6.564 1.136 4.516 667 HD1 PHE 87 1HD PHE 87 -6.992 -0.034 2.483 668 HD2 PHE 87 2HD PHE 87 -4.387 -1.726 5.386 669 HE1 PHE 87 1HE PHE 87 -7.012 -2.163 1.250 670 HE2 PHE 87 2HE PHE 87 -4.400 -3.859 4.156 671 HZ PHE 87 HZ PHE 87 -5.717 -4.074 2.084 672 H LEU 88 H LEU 88 -4.421 3.698 3.381 673 HA LEU 88 HA LEU 88 -5.140 5.023 5.852 674 1HB LEU 88 2HB LEU 88 -3.587 6.233 3.539 675 2HB LEU 88 1HB LEU 88 -3.975 7.032 5.033 676 HG LEU 88 HG LEU 88 -2.439 5.302 6.161 677 1HD1 LEU 88 1HD1 LEU 88 -2.299 3.689 4.373 678 2HD1 LEU 88 2HD1 LEU 88 -0.692 4.357 4.715 679 3HD1 LEU 88 3HD1 LEU 88 -1.590 4.897 3.304 680 1HD2 LEU 88 1HD2 LEU 88 -0.430 6.591 5.600 681 2HD2 LEU 88 2HD2 LEU 88 -1.826 7.633 5.867 682 3HD2 LEU 88 3HD2 LEU 88 -1.277 7.297 4.226 683 H LYS 89 H LYS 89 -6.419 7.018 5.399 684 HA LYS 89 HA LYS 89 -7.660 7.076 2.756 685 1HB LYS 89 2HB LYS 89 -9.218 5.979 4.349 686 2HB LYS 89 1HB LYS 89 -9.130 7.424 5.352 687 1HG LYS 89 2HG LYS 89 -10.111 8.735 3.540 688 2HG LYS 89 1HG LYS 89 -10.224 7.281 2.547 689 1HD LYS 89 2HD LYS 89 -11.686 6.282 4.257 690 2HD LYS 89 1HD LYS 89 -11.594 7.772 5.187 691 1HE LYS 89 2HE LYS 89 -13.663 7.767 3.914 692 2HE LYS 89 1HE LYS 89 -12.568 8.991 3.276 693 1HZ LYS 89 1HZ LYS 89 -12.007 7.522 1.449 694 2HZ LYS 89 2HZ LYS 89 -13.675 7.693 1.549 695 3HZ LYS 89 3HZ LYS 89 -12.954 6.299 2.125 696 H GLU 90 H GLU 90 -7.431 8.969 1.894 697 HA GLU 90 HA GLU 90 -7.091 11.059 1.538 698 1HB GLU 90 2HB GLU 90 -7.979 11.488 4.370 699 2HB GLU 90 1HB GLU 90 -7.820 12.794 3.203 700 1HG GLU 90 2HG GLU 90 -9.590 11.844 1.867 701 2HG GLU 90 1HG GLU 90 -9.713 10.456 2.940 702 H GLY 91 H GLY 91 -5.131 9.289 2.935 703 1HA GLY 91 2HA GLY 91 -2.831 9.558 3.300 704 2HA GLY 91 1HA GLY 91 -3.105 11.264 3.619 705 H LYS 92 H LYS 92 -5.427 9.780 5.389 706 HA LYS 92 HA LYS 92 -3.768 9.840 7.799 707 1HB LYS 92 2HB LYS 92 -6.792 9.916 7.496 708 2HB LYS 92 1HB LYS 92 -5.972 9.839 9.041 709 1HG LYS 92 2HG LYS 92 -6.670 12.096 8.645 710 2HG LYS 92 1HG LYS 92 -4.917 12.039 8.527 711 1HD LYS 92 2HD LYS 92 -5.150 11.925 6.051 712 2HD LYS 92 1HD LYS 92 -6.889 12.113 6.245 713 1HE LYS 92 2HE LYS 92 -6.537 14.266 7.332 714 2HE LYS 92 1HE LYS 92 -4.792 14.077 7.140 715 1HZ LYS 92 1HZ LYS 92 -5.146 14.016 4.712 716 2HZ LYS 92 2HZ LYS 92 -5.679 15.459 5.408 717 3HZ LYS 92 3HZ LYS 92 -6.794 14.291 4.968 718 H ILE 93 H ILE 93 -3.501 8.135 9.072 719 HA ILE 93 HA ILE 93 -3.640 5.534 7.957 720 HB ILE 93 HB ILE 93 -3.250 6.318 10.855 721 1HG1 ILE 93 2HG1 ILE 93 -1.178 5.876 8.697 722 2HG1 ILE 93 1HG1 ILE 93 -1.636 7.443 9.335 723 1HG2 ILE 93 1HG2 ILE 93 -2.058 4.164 11.041 724 2HG2 ILE 93 2HG2 ILE 93 -2.477 3.800 9.367 725 3HG2 ILE 93 3HG2 ILE 93 -3.748 3.945 10.581 726 1HD1 ILE 93 1HD1 ILE 93 0.449 6.684 10.315 727 2HD1 ILE 93 2HD1 ILE 93 -0.331 5.208 10.880 728 3HD1 ILE 93 3HD1 ILE 93 -0.805 6.767 11.551 729 H LEU 94 H LEU 94 -5.376 4.140 7.923 730 HA LEU 94 HA LEU 94 -7.352 4.463 10.039 731 1HB LEU 94 2HB LEU 94 -7.627 3.626 7.213 732 2HB LEU 94 1HB LEU 94 -8.857 3.217 8.368 733 HG LEU 94 HG LEU 94 -8.045 5.938 7.336 734 1HD1 LEU 94 1HD1 LEU 94 -9.596 4.647 5.983 735 2HD1 LEU 94 2HD1 LEU 94 -10.383 6.061 6.685 736 3HD1 LEU 94 3HD1 LEU 94 -10.665 4.466 7.374 737 1HD2 LEU 94 1HD2 LEU 94 -8.362 6.185 9.748 738 2HD2 LEU 94 2HD2 LEU 94 -9.904 5.340 9.641 739 3HD2 LEU 94 3HD2 LEU 94 -9.705 6.910 8.861 740 H ASP 95 H ASP 95 -5.991 2.034 7.826 741 HA ASP 95 HA ASP 95 -6.215 0.131 10.036 742 1HB ASP 95 2HB ASP 95 -7.061 -0.441 7.206 743 2HB ASP 95 1HB ASP 95 -6.932 -1.592 8.496 744 H LYS 96 H LYS 96 -4.880 -1.657 9.798 745 HA LYS 96 HA LYS 96 -3.047 -1.746 7.615 746 1HB LYS 96 2HB LYS 96 -1.005 -1.764 9.014 747 2HB LYS 96 1HB LYS 96 -1.823 -0.214 9.065 748 1HG LYS 96 2HG LYS 96 -2.717 -0.731 11.254 749 2HG LYS 96 1HG LYS 96 -1.990 -2.338 11.181 750 1HD LYS 96 2HD LYS 96 0.243 -1.279 11.017 751 2HD LYS 96 1HD LYS 96 -0.524 0.299 11.194 752 1HE LYS 96 2HE LYS 96 0.387 -0.490 13.323 753 2HE LYS 96 1HE LYS 96 -1.368 -0.338 13.389 754 1HZ LYS 96 1HZ LYS 96 -0.594 -2.378 14.421 755 2HZ LYS 96 2HZ LYS 96 0.094 -2.904 12.963 756 3HZ LYS 96 3HZ LYS 96 -1.570 -2.710 13.101 757 H VAL 97 H VAL 97 -2.221 -3.733 7.292 758 HA VAL 97 HA VAL 97 -3.278 -5.849 9.047 759 HB VAL 97 HB VAL 97 -2.698 -6.014 6.068 760 1HG1 VAL 97 1HG1 VAL 97 -2.366 -8.149 7.181 761 2HG1 VAL 97 2HG1 VAL 97 -3.802 -8.200 6.159 762 3HG1 VAL 97 3HG1 VAL 97 -3.969 -8.032 7.907 763 1HG2 VAL 97 1HG2 VAL 97 -5.356 -5.924 7.492 764 2HG2 VAL 97 2HG2 VAL 97 -5.124 -6.160 5.761 765 3HG2 VAL 97 3HG2 VAL 97 -4.666 -4.633 6.511 766 H VAL 98 H VAL 98 -1.727 -6.900 10.079 767 HA VAL 98 HA VAL 98 0.974 -6.695 9.053 768 HB VAL 98 HB VAL 98 0.699 -5.854 11.318 769 1HG1 VAL 98 1HG1 VAL 98 0.113 -7.302 13.206 770 2HG1 VAL 98 2HG1 VAL 98 -0.291 -8.593 12.075 771 3HG1 VAL 98 3HG1 VAL 98 -1.219 -7.091 12.071 772 1HG2 VAL 98 1HG2 VAL 98 2.195 -8.460 11.289 773 2HG2 VAL 98 2HG2 VAL 98 2.405 -7.166 12.473 774 3HG2 VAL 98 3HG2 VAL 98 2.799 -6.889 10.774 775 H GLY 99 H GLY 99 1.744 -8.308 7.950 776 1HA GLY 99 2HA GLY 99 2.506 -10.552 7.823 777 2HA GLY 99 1HA GLY 99 1.091 -11.046 8.755 778 H ALA 100 H ALA 100 1.921 -12.121 6.180 779 HA ALA 100 HA ALA 100 0.157 -10.946 4.239 780 1HB ALA 100 1HB ALA 100 1.562 -13.627 4.207 781 2HB ALA 100 2HB ALA 100 2.190 -12.133 3.515 782 3HB ALA 100 3HB ALA 100 0.745 -12.882 2.833 783 H LYS 101 H LYS 101 -1.917 -11.049 4.576 784 HA LYS 101 HA LYS 101 -3.128 -13.535 5.505 785 1HB LYS 101 2HB LYS 101 -3.769 -10.674 6.130 786 2HB LYS 101 1HB LYS 101 -4.861 -11.990 6.489 787 1HG LYS 101 2HG LYS 101 -3.162 -12.943 8.030 788 2HG LYS 101 1HG LYS 101 -2.098 -11.589 7.631 789 1HD LYS 101 2HD LYS 101 -3.608 -10.104 8.492 790 2HD LYS 101 1HD LYS 101 -4.801 -11.387 8.738 791 1HE LYS 101 2HE LYS 101 -3.300 -12.452 10.360 792 2HE LYS 101 1HE LYS 101 -2.119 -11.168 10.086 793 1HZ LYS 101 1HZ LYS 101 -3.482 -10.846 12.115 794 2HZ LYS 101 2HZ LYS 101 -4.862 -10.628 11.126 795 3HZ LYS 101 3HZ LYS 101 -3.578 -9.588 11.015 796 H LYS 102 H LYS 102 -4.231 -14.360 3.804 797 HA LYS 102 HA LYS 102 -4.951 -12.841 1.556 798 1HB LYS 102 2HB LYS 102 -4.484 -15.239 1.496 799 2HB LYS 102 1HB LYS 102 -5.896 -15.522 2.505 800 1HG LYS 102 2HG LYS 102 -7.328 -14.653 0.759 801 2HG LYS 102 1HG LYS 102 -5.900 -14.364 -0.243 802 1HD LYS 102 2HD LYS 102 -6.898 -16.415 -1.024 803 2HD LYS 102 1HD LYS 102 -5.441 -16.843 -0.143 804 1HE LYS 102 2HE LYS 102 -8.270 -17.009 0.949 805 2HE LYS 102 1HE LYS 102 -7.360 -18.360 0.302 806 1HZ LYS 102 1HZ LYS 102 -5.714 -17.905 2.187 807 2HZ LYS 102 2HZ LYS 102 -7.196 -18.523 2.561 808 3HZ LYS 102 3HZ LYS 102 -6.927 -16.934 2.898 809 H ASP 103 H ASP 103 -6.795 -14.250 4.228 810 HA ASP 103 HA ASP 103 -9.324 -13.416 3.241 811 1HB ASP 103 2HB ASP 103 -8.544 -14.610 5.893 812 2HB ASP 103 1HB ASP 103 -10.193 -14.407 5.315 813 H GLU 104 H GLU 104 -7.349 -12.403 6.011 814 HA GLU 104 HA GLU 104 -9.239 -10.520 6.968 815 1HB GLU 104 2HB GLU 104 -7.369 -11.452 8.342 816 2HB GLU 104 1HB GLU 104 -6.254 -10.474 7.398 817 1HG GLU 104 2HG GLU 104 -7.440 -8.445 8.153 818 2HG GLU 104 1HG GLU 104 -8.463 -9.454 9.167 819 H LEU 105 H LEU 105 -6.656 -10.298 4.637 820 HA LEU 105 HA LEU 105 -6.449 -7.522 4.423 821 1HB LEU 105 2HB LEU 105 -5.011 -9.256 3.314 822 2HB LEU 105 1HB LEU 105 -6.308 -9.524 2.202 823 HG LEU 105 HG LEU 105 -6.181 -7.265 1.363 824 1HD1 LEU 105 1HD1 LEU 105 -4.275 -5.814 1.987 825 2HD1 LEU 105 2HD1 LEU 105 -3.827 -6.970 3.241 826 3HD1 LEU 105 3HD1 LEU 105 -5.364 -6.108 3.341 827 1HD2 LEU 105 1HD2 LEU 105 -4.865 -9.003 0.276 828 2HD2 LEU 105 2HD2 LEU 105 -3.509 -8.666 1.353 829 3HD2 LEU 105 3HD2 LEU 105 -4.036 -7.450 0.190 830 H GLN 106 H GLN 106 -8.371 -9.821 2.684 831 HA GLN 106 HA GLN 106 -9.898 -8.075 1.100 832 1HB GLN 106 2HB GLN 106 -10.676 -10.760 2.206 833 2HB GLN 106 1HB GLN 106 -11.583 -9.890 0.977 834 1HG GLN 106 2HG GLN 106 -9.692 -9.952 -0.495 835 2HG GLN 106 1HG GLN 106 -8.732 -10.782 0.729 836 1HE2 GLN 106 1HE2 GLN 106 -9.166 -12.899 1.180 837 2HE2 GLN 106 2HE2 GLN 106 -10.104 -13.911 0.134 838 H SER 107 H SER 107 -10.451 -9.128 4.388 839 HA SER 107 HA SER 107 -13.032 -7.929 4.563 840 1HB SER 107 2HB SER 107 -11.091 -8.648 6.775 841 2HB SER 107 1HB SER 107 -12.818 -8.324 6.978 842 HG SER 107 HG SER 107 -12.390 -10.187 5.053 843 H THR 108 H THR 108 -9.790 -6.817 5.048 844 HA THR 108 HA THR 108 -10.509 -4.307 6.186 845 HB THR 108 HB THR 108 -7.949 -5.118 4.759 846 HG1 THR 108 1HG THR 108 -8.547 -6.436 6.635 847 1HG2 THR 108 1HG2 THR 108 -8.207 -2.685 5.055 848 2HG2 THR 108 2HG2 THR 108 -6.926 -3.319 6.086 849 3HG2 THR 108 3HG2 THR 108 -8.499 -2.926 6.778 850 H ILE 109 H ILE 109 -9.841 -5.555 2.945 851 HA ILE 109 HA ILE 109 -9.893 -3.134 1.519 852 HB ILE 109 HB ILE 109 -10.812 -5.858 0.535 853 1HG1 ILE 109 2HG1 ILE 109 -8.078 -4.576 0.302 854 2HG1 ILE 109 1HG1 ILE 109 -8.484 -5.863 1.430 855 1HG2 ILE 109 1HG2 ILE 109 -10.264 -4.965 -1.700 856 2HG2 ILE 109 2HG2 ILE 109 -9.884 -3.405 -0.960 857 3HG2 ILE 109 3HG2 ILE 109 -11.531 -4.024 -0.903 858 1HD1 ILE 109 1HD1 ILE 109 -8.588 -6.055 -1.568 859 2HD1 ILE 109 2HD1 ILE 109 -8.953 -7.363 -0.453 860 3HD1 ILE 109 3HD1 ILE 109 -7.316 -6.706 -0.542 861 H ALA 110 H ALA 110 -12.449 -5.502 2.229 862 HA ALA 110 HA ALA 110 -14.516 -4.104 0.936 863 1HB ALA 110 1HB ALA 110 -14.731 -6.080 3.203 864 2HB ALA 110 2HB ALA 110 -14.651 -6.491 1.490 865 3HB ALA 110 3HB ALA 110 -16.033 -5.594 2.123 866 H LYS 111 H LYS 111 -13.223 -3.837 4.124 867 HA LYS 111 HA LYS 111 -15.178 -2.258 5.371 868 1HB LYS 111 2HB LYS 111 -13.132 -3.313 6.378 869 2HB LYS 111 1HB LYS 111 -12.263 -2.072 5.540 870 1HG LYS 111 2HG LYS 111 -13.192 -0.308 6.829 871 2HG LYS 111 1HG LYS 111 -14.322 -1.411 7.622 872 1HD LYS 111 2HD LYS 111 -12.479 -2.576 8.690 873 2HD LYS 111 1HD LYS 111 -11.318 -1.559 7.837 874 1HE LYS 111 2HE LYS 111 -11.646 -0.850 10.165 875 2HE LYS 111 1HE LYS 111 -12.118 0.397 9.020 876 1HZ LYS 111 1HZ LYS 111 -14.010 -1.443 10.388 877 2HZ LYS 111 2HZ LYS 111 -14.428 -0.125 9.410 878 3HZ LYS 111 3HZ LYS 111 -13.661 0.123 10.874 879 H HIS 112 H HIS 112 -12.406 -1.477 3.414 880 HA HIS 112 HA HIS 112 -12.885 1.328 3.472 881 1HB HIS 112 2HB HIS 112 -10.920 -0.396 2.025 882 2HB HIS 112 1HB HIS 112 -11.063 1.321 1.690 883 HD1 HIS 112 1HD HIS 112 -9.956 2.883 3.313 884 HD2 HIS 112 2HD HIS 112 -10.040 -1.016 4.676 885 HE1 HIS 112 1HE HIS 112 -8.463 2.855 5.327 886 HE2 HIS 112 2HE HIS 112 -9.084 0.672 6.358 887 H LEU 113 H LEU 113 -13.550 -1.297 1.072 888 HA LEU 113 HA LEU 113 -14.265 0.484 -0.932 889 1HB LEU 113 2HB LEU 113 -13.373 -1.829 -1.111 890 2HB LEU 113 1HB LEU 113 -14.893 -2.368 -0.453 891 HG LEU 113 HG LEU 113 -14.483 -2.670 -2.817 892 1HD1 LEU 113 1HD1 LEU 113 -16.816 -2.021 -3.574 893 2HD1 LEU 113 2HD1 LEU 113 -16.957 -1.051 -2.107 894 3HD1 LEU 113 3HD1 LEU 113 -16.794 -2.800 -1.990 895 1HD2 LEU 113 1HD2 LEU 113 -13.447 -0.637 -3.453 896 2HD2 LEU 113 2HD2 LEU 113 -14.863 0.297 -2.978 897 3HD2 LEU 113 3HD2 LEU 113 -14.943 -0.765 -4.380 898 H ALA 114 H ALA 114 -15.790 1.890 -0.299 899 HA ALA 114 HA ALA 114 -18.495 1.169 -0.376 900 1HB ALA 114 1HB ALA 114 -19.148 1.868 1.916 901 2HB ALA 114 2HB ALA 114 -17.445 2.002 2.353 902 3HB ALA 114 3HB ALA 114 -18.125 0.431 1.949 Start of MODEL 5 1 H MET 1 H MET 1 -12.397 12.632 -16.773 2 HA MET 1 HA MET 1 -9.556 13.123 -16.576 3 1HB MET 1 2HB MET 1 -11.621 12.511 -14.426 4 2HB MET 1 1HB MET 1 -9.919 12.791 -14.111 5 1HG MET 1 2HG MET 1 -11.189 14.766 -13.591 6 2HG MET 1 1HG MET 1 -10.141 15.078 -14.969 7 1HE MET 1 1HE MET 1 -13.260 17.358 -15.629 8 2HE MET 1 2HE MET 1 -11.506 17.301 -15.442 9 3HE MET 1 3HE MET 1 -12.552 16.959 -14.064 10 H ALA 2 H ALA 2 -8.083 11.548 -16.517 11 HA ALA 2 HA ALA 2 -9.105 8.821 -16.185 12 1HB ALA 2 1HB ALA 2 -8.801 9.301 -18.560 13 2HB ALA 2 2HB ALA 2 -7.665 8.074 -17.994 14 3HB ALA 2 3HB ALA 2 -7.118 9.726 -18.254 15 H SER 3 H SER 3 -8.001 7.591 -14.890 16 HA SER 3 HA SER 3 -5.231 8.231 -14.282 17 1HB SER 3 2HB SER 3 -5.681 7.427 -11.919 18 2HB SER 3 1HB SER 3 -6.492 8.937 -12.316 19 HG SER 3 HG SER 3 -8.206 7.171 -12.985 20 H GLU 4 H GLU 4 -3.874 6.360 -13.999 21 HA GLU 4 HA GLU 4 -4.779 4.216 -15.544 22 1HB GLU 4 2HB GLU 4 -2.217 4.845 -14.126 23 2HB GLU 4 1HB GLU 4 -2.471 3.316 -14.934 24 1HG GLU 4 2HG GLU 4 -1.215 4.867 -16.352 25 2HG GLU 4 1HG GLU 4 -2.765 4.478 -17.073 26 H GLU 5 H GLU 5 -5.270 2.213 -15.016 27 HA GLU 5 HA GLU 5 -5.817 1.700 -12.194 28 1HB GLU 5 2HB GLU 5 -7.409 -0.020 -13.058 29 2HB GLU 5 1HB GLU 5 -7.799 1.611 -13.576 30 1HG GLU 5 2HG GLU 5 -6.794 1.152 -15.763 31 2HG GLU 5 1HG GLU 5 -6.412 -0.486 -15.244 32 H GLY 6 H GLY 6 -5.130 -0.208 -11.199 33 1HA GLY 6 2HA GLY 6 -4.044 -2.255 -11.037 34 2HA GLY 6 1HA GLY 6 -3.705 -2.188 -12.758 35 H GLN 7 H GLN 7 -2.887 0.618 -11.033 36 HA GLN 7 HA GLN 7 -0.112 -0.129 -11.360 37 1HB GLN 7 2HB GLN 7 0.411 2.233 -11.004 38 2HB GLN 7 1HB GLN 7 -0.490 1.825 -12.449 39 1HG GLN 7 2HG GLN 7 -2.549 2.674 -11.390 40 2HG GLN 7 1HG GLN 7 -1.668 2.957 -9.891 41 1HE2 GLN 7 1HE2 GLN 7 -3.174 4.777 -11.554 42 2HE2 GLN 7 2HE2 GLN 7 -2.100 6.064 -11.985 43 H VAL 8 H VAL 8 1.177 -0.308 -9.985 44 HA VAL 8 HA VAL 8 0.608 0.344 -7.154 45 HB VAL 8 HB VAL 8 2.366 -1.900 -8.206 46 1HG1 VAL 8 1HG1 VAL 8 1.559 -1.196 -5.389 47 2HG1 VAL 8 2HG1 VAL 8 3.164 -1.009 -6.096 48 3HG1 VAL 8 3HG1 VAL 8 2.487 -2.623 -5.855 49 1HG2 VAL 8 1HG2 VAL 8 -0.329 -2.069 -6.861 50 2HG2 VAL 8 2HG2 VAL 8 0.683 -3.447 -7.296 51 3HG2 VAL 8 3HG2 VAL 8 0.007 -2.414 -8.556 52 H ILE 9 H ILE 9 1.931 2.010 -6.523 53 HA ILE 9 HA ILE 9 4.183 2.557 -8.255 54 HB ILE 9 HB ILE 9 3.067 4.160 -5.954 55 1HG1 ILE 9 2HG1 ILE 9 1.550 4.076 -7.862 56 2HG1 ILE 9 1HG1 ILE 9 2.291 5.669 -7.718 57 1HG2 ILE 9 1HG2 ILE 9 5.460 4.604 -6.210 58 2HG2 ILE 9 2HG2 ILE 9 4.512 5.996 -6.738 59 3HG2 ILE 9 3HG2 ILE 9 5.232 4.914 -7.931 60 1HD1 ILE 9 1HD1 ILE 9 2.140 4.967 -10.045 61 2HD1 ILE 9 2HD1 ILE 9 3.079 3.527 -9.690 62 3HD1 ILE 9 3HD1 ILE 9 3.824 5.120 -9.546 63 H ALA 10 H ALA 10 6.041 1.652 -7.872 64 HA ALA 10 HA ALA 10 6.651 0.718 -5.198 65 1HB ALA 10 1HB ALA 10 6.922 -0.841 -7.068 66 2HB ALA 10 2HB ALA 10 8.458 -0.521 -6.260 67 3HB ALA 10 3HB ALA 10 8.090 0.257 -7.801 68 H CYS 11 H CYS 11 7.556 2.124 -3.908 69 HA CYS 11 HA CYS 11 9.299 4.151 -4.995 70 1HB CYS 11 2HB CYS 11 8.335 3.826 -2.180 71 2HB CYS 11 1HB CYS 11 8.996 5.219 -2.964 72 HG CYS 11 HG CYS 11 6.059 3.968 -4.137 73 H HIS 12 H HIS 12 11.352 3.560 -5.025 74 HA HIS 12 HA HIS 12 12.364 1.821 -2.882 75 1HB HIS 12 2HB HIS 12 13.580 2.468 -5.582 76 2HB HIS 12 1HB HIS 12 14.269 1.387 -4.384 77 HD1 HIS 12 1HD HIS 12 13.524 -1.010 -4.445 78 HD2 HIS 12 2HD HIS 12 11.175 1.467 -6.815 79 HE1 HIS 12 1HE HIS 12 12.021 -2.540 -5.786 80 HE2 HIS 12 2HE HIS 12 10.933 -1.009 -7.433 81 H THR 13 H THR 13 11.835 4.872 -3.447 82 HA THR 13 HA THR 13 14.313 5.764 -2.223 83 HB THR 13 HB THR 13 14.262 7.814 -3.651 84 HG1 THR 13 1HG THR 13 12.532 6.414 -5.388 85 1HG2 THR 13 1HG2 THR 13 15.164 6.797 -5.706 86 2HG2 THR 13 2HG2 THR 13 14.505 5.238 -5.213 87 3HG2 THR 13 3HG2 THR 13 15.779 5.998 -4.260 88 H VAL 14 H VAL 14 13.997 7.519 -0.854 89 HA VAL 14 HA VAL 14 11.379 7.740 0.206 90 HB VAL 14 HB VAL 14 13.436 7.996 1.588 91 1HG1 VAL 14 1HG1 VAL 14 13.739 10.652 0.224 92 2HG1 VAL 14 2HG1 VAL 14 14.834 9.270 0.122 93 3HG1 VAL 14 3HG1 VAL 14 14.637 10.131 1.649 94 1HG2 VAL 14 1HG2 VAL 14 11.330 8.784 2.481 95 2HG2 VAL 14 2HG2 VAL 14 11.554 10.351 1.706 96 3HG2 VAL 14 3HG2 VAL 14 12.635 9.848 3.006 97 H GLU 15 H GLU 15 13.099 9.391 -2.236 98 HA GLU 15 HA GLU 15 11.807 11.871 -2.403 99 1HB GLU 15 2HB GLU 15 13.820 11.187 -3.659 100 2HB GLU 15 1HB GLU 15 12.831 10.103 -4.610 101 1HG GLU 15 2HG GLU 15 11.558 12.072 -5.412 102 2HG GLU 15 1HG GLU 15 12.709 13.099 -4.555 103 H THR 16 H THR 16 11.065 8.808 -4.093 104 HA THR 16 HA THR 16 8.732 9.756 -5.364 105 HB THR 16 HB THR 16 9.454 6.887 -4.661 106 HG1 THR 16 1HG THR 16 10.345 8.701 -6.583 107 1HG2 THR 16 1HG2 THR 16 7.722 8.038 -6.866 108 2HG2 THR 16 2HG2 THR 16 7.129 7.186 -5.442 109 3HG2 THR 16 3HG2 THR 16 8.098 6.330 -6.640 110 H TRP 17 H TRP 17 9.329 7.967 -2.393 111 HA TRP 17 HA TRP 17 6.737 7.479 -1.555 112 1HB TRP 17 2HB TRP 17 8.631 6.420 -0.530 113 2HB TRP 17 1HB TRP 17 9.302 7.968 -0.057 114 HD1 TRP 17 HD TRP 17 8.938 8.561 2.367 115 HE1 TRP 17 1HE TRP 17 7.328 7.874 4.205 116 HE3 TRP 17 3HE TRP 17 5.899 5.523 -0.358 117 HZ2 TRP 17 2HZ TRP 17 5.026 6.248 4.487 118 HZ3 TRP 17 3HZ TRP 17 4.007 4.443 0.770 119 HH2 TRP 17 HH TRP 17 3.581 4.799 3.148 120 H ASN 18 H ASN 18 8.829 10.256 -0.892 121 HA ASN 18 HA ASN 18 7.138 11.730 0.774 122 1HB ASN 18 2HB ASN 18 9.565 12.169 0.378 123 2HB ASN 18 1HB ASN 18 9.160 12.779 -1.216 124 1HD2 ASN 18 1HD2 ASN 18 9.187 13.432 2.154 125 2HD2 ASN 18 2HD2 ASN 18 8.720 15.092 2.052 126 H GLU 19 H GLU 19 7.468 11.702 -2.737 127 HA GLU 19 HA GLU 19 5.670 13.825 -3.268 128 1HB GLU 19 2HB GLU 19 7.260 12.971 -4.978 129 2HB GLU 19 1HB GLU 19 6.332 11.480 -5.069 130 1HG GLU 19 2HG GLU 19 4.378 12.742 -5.849 131 2HG GLU 19 1HG GLU 19 5.312 14.231 -5.780 132 H GLN 20 H GLN 20 5.198 10.271 -3.160 133 HA GLN 20 HA GLN 20 2.618 10.231 -3.982 134 1HB GLN 20 2HB GLN 20 4.275 8.503 -2.310 135 2HB GLN 20 1HB GLN 20 2.628 8.073 -2.750 136 1HG GLN 20 2HG GLN 20 4.909 8.613 -4.651 137 2HG GLN 20 1HG GLN 20 4.275 7.016 -4.257 138 1HE2 GLN 20 1HE2 GLN 20 2.252 6.417 -5.054 139 2HE2 GLN 20 2HE2 GLN 20 1.518 7.276 -6.367 140 H LEU 21 H LEU 21 3.909 10.683 -0.638 141 HA LEU 21 HA LEU 21 1.426 10.414 0.548 142 1HB LEU 21 2HB LEU 21 3.964 11.707 1.248 143 2HB LEU 21 1HB LEU 21 2.636 11.578 2.366 144 HG LEU 21 HG LEU 21 4.275 9.318 1.193 145 1HD1 LEU 21 1HD1 LEU 21 4.987 8.948 3.493 146 2HD1 LEU 21 2HD1 LEU 21 4.049 10.348 4.011 147 3HD1 LEU 21 3HD1 LEU 21 5.422 10.560 2.924 148 1HD2 LEU 21 1HD2 LEU 21 1.944 9.177 3.114 149 2HD2 LEU 21 2HD2 LEU 21 2.978 7.828 2.660 150 3HD2 LEU 21 3HD2 LEU 21 1.955 8.591 1.449 151 H GLN 22 H GLN 22 3.299 13.231 -0.446 152 HA GLN 22 HA GLN 22 1.381 15.076 0.368 153 1HB GLN 22 2HB GLN 22 3.612 15.839 -0.205 154 2HB GLN 22 1HB GLN 22 3.410 15.300 -1.863 155 1HG GLN 22 2HG GLN 22 3.214 17.738 -1.638 156 2HG GLN 22 1HG GLN 22 1.744 17.000 -2.264 157 1HE2 GLN 22 1HE2 GLN 22 0.513 18.776 -1.642 158 2HE2 GLN 22 2HE2 GLN 22 0.109 19.085 0.006 159 H LYS 23 H LYS 23 1.842 13.366 -2.646 160 HA LYS 23 HA LYS 23 -0.187 14.490 -4.171 161 1HB LYS 23 2HB LYS 23 1.497 12.994 -5.081 162 2HB LYS 23 1HB LYS 23 0.841 11.653 -4.159 163 1HG LYS 23 2HG LYS 23 -1.240 11.788 -5.445 164 2HG LYS 23 1HG LYS 23 -0.574 13.121 -6.385 165 1HD LYS 23 2HD LYS 23 0.577 10.327 -6.245 166 2HD LYS 23 1HD LYS 23 -0.402 10.962 -7.567 167 1HE LYS 23 2HE LYS 23 1.313 12.635 -8.052 168 2HE LYS 23 1HE LYS 23 2.272 12.075 -6.685 169 1HZ LYS 23 1HZ LYS 23 1.593 10.453 -9.081 170 2HZ LYS 23 2HZ LYS 23 2.515 9.942 -7.762 171 3HZ LYS 23 3HZ LYS 23 3.083 11.166 -8.763 172 H ALA 24 H ALA 24 -0.353 11.764 -1.821 173 HA ALA 24 HA ALA 24 -3.080 11.229 -2.357 174 1HB ALA 24 1HB ALA 24 -2.989 9.869 -0.332 175 2HB ALA 24 2HB ALA 24 -1.441 10.599 0.096 176 3HB ALA 24 3HB ALA 24 -1.567 9.581 -1.339 177 H ASN 25 H ASN 25 -1.410 13.034 0.146 178 HA ASN 25 HA ASN 25 -3.564 13.778 1.794 179 1HB ASN 25 2HB ASN 25 -1.037 14.001 2.138 180 2HB ASN 25 1HB ASN 25 -1.134 15.403 1.144 181 1HD2 ASN 25 1HD2 ASN 25 -0.374 15.151 3.935 182 2HD2 ASN 25 2HD2 ASN 25 -1.357 16.261 4.815 183 H GLU 26 H GLU 26 -1.915 15.537 -0.696 184 HA GLU 26 HA GLU 26 -3.419 17.917 -0.698 185 1HB GLU 26 2HB GLU 26 -1.182 17.679 -1.649 186 2HB GLU 26 1HB GLU 26 -1.834 16.676 -2.930 187 1HG GLU 26 2HG GLU 26 -3.115 18.576 -3.753 188 2HG GLU 26 1HG GLU 26 -2.453 19.578 -2.458 189 H SER 27 H SER 27 -3.764 15.004 -2.711 190 HA SER 27 HA SER 27 -5.918 16.192 -4.199 191 1HB SER 27 2HB SER 27 -4.806 13.410 -4.251 192 2HB SER 27 1HB SER 27 -5.840 14.148 -5.472 193 HG SER 27 HG SER 27 -3.198 14.306 -5.069 194 H LYS 28 H LYS 28 -5.724 14.773 -1.155 195 HA LYS 28 HA LYS 28 -7.090 13.967 0.294 196 1HB LYS 28 2HB LYS 28 -8.555 15.813 -0.590 197 2HB LYS 28 1HB LYS 28 -9.219 14.585 -1.671 198 1HG LYS 28 2HG LYS 28 -9.805 13.282 0.179 199 2HG LYS 28 1HG LYS 28 -9.301 14.521 1.302 200 1HD LYS 28 2HD LYS 28 -10.942 16.104 0.354 201 2HD LYS 28 1HD LYS 28 -11.511 14.852 -0.758 202 1HE LYS 28 2HE LYS 28 -11.580 14.713 2.238 203 2HE LYS 28 1HE LYS 28 -12.974 15.076 1.227 204 1HZ LYS 28 1HZ LYS 28 -12.715 12.854 0.224 205 2HZ LYS 28 2HZ LYS 28 -12.928 12.730 1.905 206 3HZ LYS 28 3HZ LYS 28 -11.419 12.534 1.240 207 H THR 29 H THR 29 -5.966 12.357 -1.846 208 HA THR 29 HA THR 29 -7.916 10.333 -2.470 209 HB THR 29 HB THR 29 -4.985 10.216 -2.965 210 HG1 THR 29 1HG THR 29 -7.062 11.506 -4.505 211 1HG2 THR 29 1HG2 THR 29 -5.683 8.911 -4.966 212 2HG2 THR 29 2HG2 THR 29 -7.363 9.089 -4.461 213 3HG2 THR 29 3HG2 THR 29 -6.229 8.189 -3.454 214 H LEU 30 H LEU 30 -7.816 8.352 -1.704 215 HA LEU 30 HA LEU 30 -6.648 8.002 0.858 216 1HB LEU 30 2HB LEU 30 -8.967 7.269 0.364 217 2HB LEU 30 1HB LEU 30 -8.390 6.158 -0.836 218 HG LEU 30 HG LEU 30 -7.935 5.828 2.156 219 1HD1 LEU 30 1HD1 LEU 30 -9.692 4.138 2.029 220 2HD1 LEU 30 2HD1 LEU 30 -9.974 4.551 0.341 221 3HD1 LEU 30 3HD1 LEU 30 -10.303 5.735 1.606 222 1HD2 LEU 30 1HD2 LEU 30 -7.392 3.518 1.598 223 2HD2 LEU 30 2HD2 LEU 30 -6.305 4.613 0.742 224 3HD2 LEU 30 3HD2 LEU 30 -7.650 3.851 -0.112 225 H VAL 31 H VAL 31 -4.875 6.392 1.247 226 HA VAL 31 HA VAL 31 -3.710 5.268 -1.166 227 HB VAL 31 HB VAL 31 -2.535 7.329 -0.636 228 1HG1 VAL 31 1HG1 VAL 31 -1.951 6.134 2.037 229 2HG1 VAL 31 2HG1 VAL 31 -3.004 7.512 1.711 230 3HG1 VAL 31 3HG1 VAL 31 -1.265 7.637 1.424 231 1HG2 VAL 31 1HG2 VAL 31 -1.200 5.547 -1.576 232 2HG2 VAL 31 2HG2 VAL 31 -0.871 4.913 0.036 233 3HG2 VAL 31 3HG2 VAL 31 -0.232 6.487 -0.443 234 H VAL 32 H VAL 32 -2.827 3.254 -0.989 235 HA VAL 32 HA VAL 32 -2.818 1.992 1.662 236 HB VAL 32 HB VAL 32 -3.506 0.718 -0.959 237 1HG1 VAL 32 1HG1 VAL 32 -3.427 -0.486 1.825 238 2HG1 VAL 32 2HG1 VAL 32 -2.303 -0.837 0.517 239 3HG1 VAL 32 3HG1 VAL 32 -3.992 -1.331 0.381 240 1HG2 VAL 32 1HG2 VAL 32 -5.250 1.260 1.437 241 2HG2 VAL 32 2HG2 VAL 32 -5.757 0.366 0.002 242 3HG2 VAL 32 3HG2 VAL 32 -5.330 2.076 -0.120 243 H VAL 33 H VAL 33 -0.862 1.364 2.238 244 HA VAL 33 HA VAL 33 1.129 0.993 0.097 245 HB VAL 33 HB VAL 33 1.628 2.111 2.852 246 1HG1 VAL 33 1HG1 VAL 33 3.834 2.686 1.978 247 2HG1 VAL 33 2HG1 VAL 33 3.425 1.892 0.455 248 3HG1 VAL 33 3HG1 VAL 33 3.528 0.952 1.941 249 1HG2 VAL 33 1HG2 VAL 33 0.321 3.704 1.561 250 2HG2 VAL 33 2HG2 VAL 33 1.449 3.589 0.217 251 3HG2 VAL 33 3HG2 VAL 33 1.969 4.291 1.746 252 H ASP 34 H ASP 34 2.156 -0.926 0.136 253 HA ASP 34 HA ASP 34 2.141 -2.435 2.655 254 1HB ASP 34 2HB ASP 34 1.010 -3.707 0.924 255 2HB ASP 34 1HB ASP 34 2.362 -3.471 -0.180 256 H PHE 35 H PHE 35 3.974 -2.663 3.656 257 HA PHE 35 HA PHE 35 6.427 -1.857 2.306 258 1HB PHE 35 2HB PHE 35 5.747 -2.269 5.208 259 2HB PHE 35 1HB PHE 35 7.289 -1.727 4.582 260 HD1 PHE 35 1HD PHE 35 3.815 -0.816 5.280 261 HD2 PHE 35 2HD PHE 35 7.565 0.566 3.817 262 HE1 PHE 35 1HE PHE 35 3.039 1.510 5.502 263 HE2 PHE 35 2HE PHE 35 6.794 2.892 4.034 264 HZ PHE 35 HZ PHE 35 4.534 3.368 4.879 265 H THR 36 H THR 36 7.571 -3.552 1.533 266 HA THR 36 HA THR 36 8.253 -5.667 3.289 267 HB THR 36 HB THR 36 6.115 -6.489 2.297 268 HG1 THR 36 1HG THR 36 6.976 -8.455 2.326 269 1HG2 THR 36 1HG2 THR 36 7.703 -6.505 -0.276 270 2HG2 THR 36 2HG2 THR 36 6.321 -5.469 0.076 271 3HG2 THR 36 3HG2 THR 36 6.101 -7.213 -0.059 272 H ALA 37 H ALA 37 9.626 -7.277 1.814 273 HA ALA 37 HA ALA 37 11.343 -5.566 0.151 274 1HB ALA 37 1HB ALA 37 12.478 -6.174 2.243 275 2HB ALA 37 2HB ALA 37 13.252 -6.946 0.856 276 3HB ALA 37 3HB ALA 37 12.186 -7.878 1.904 277 H SER 38 H SER 38 12.083 -6.472 -1.721 278 HA SER 38 HA SER 38 10.343 -8.154 -3.087 279 1HB SER 38 2HB SER 38 12.088 -8.267 -4.849 280 2HB SER 38 1HB SER 38 11.720 -6.632 -4.307 281 HG SER 38 HG SER 38 13.588 -6.874 -2.879 282 H TRP 39 H TRP 39 12.916 -9.136 -1.027 283 HA TRP 39 HA TRP 39 13.092 -11.744 -2.247 284 1HB TRP 39 2HB TRP 39 14.851 -12.180 -0.457 285 2HB TRP 39 1HB TRP 39 15.197 -10.893 -1.587 286 HD1 TRP 39 HD TRP 39 15.564 -8.583 -0.645 287 HE1 TRP 39 1HE TRP 39 15.795 -7.595 1.771 288 HE3 TRP 39 3HE TRP 39 13.831 -12.537 2.002 289 HZ2 TRP 39 2HZ TRP 39 15.285 -8.414 4.381 290 HZ3 TRP 39 3HZ TRP 39 13.726 -12.373 4.467 291 HH2 TRP 39 HH TRP 39 14.439 -10.351 5.622 292 H CYS 40 H CYS 40 10.770 -10.602 -0.511 293 HA CYS 40 HA CYS 40 10.544 -12.761 1.419 294 1HB CYS 40 2HB CYS 40 9.878 -10.571 2.144 295 2HB CYS 40 1HB CYS 40 8.764 -10.402 0.801 296 H GLY 41 H GLY 41 9.562 -14.620 1.000 297 1HA GLY 41 2HA GLY 41 8.560 -15.286 -1.536 298 2HA GLY 41 1HA GLY 41 8.454 -16.276 -0.090 299 HA PRO 42 HA PRO 42 4.066 -15.642 0.377 300 1HB PRO 42 2HB PRO 42 3.758 -14.177 2.729 301 2HB PRO 42 1HB PRO 42 3.935 -15.932 2.645 302 1HG PRO 42 2HG PRO 42 5.995 -13.845 3.210 303 2HG PRO 42 1HG PRO 42 5.783 -15.437 3.957 304 1HD PRO 42 2HD PRO 42 7.683 -15.017 2.131 305 2HD PRO 42 1HD PRO 42 6.776 -16.546 2.156 306 H CYS 43 H CYS 43 6.009 -12.820 0.894 307 HA CYS 43 HA CYS 43 4.026 -10.856 0.452 308 1HB CYS 43 2HB CYS 43 6.988 -10.701 0.011 309 2HB CYS 43 1HB CYS 43 5.896 -9.345 0.259 310 H ARG 44 H ARG 44 6.332 -12.542 -1.642 311 HA ARG 44 HA ARG 44 5.705 -11.109 -4.021 312 1HB ARG 44 2HB ARG 44 7.810 -12.335 -3.668 313 2HB ARG 44 1HB ARG 44 6.917 -13.842 -3.586 314 1HG ARG 44 2HG ARG 44 6.258 -13.576 -5.920 315 2HG ARG 44 1HG ARG 44 7.161 -12.058 -6.000 316 1HD ARG 44 2HD ARG 44 8.303 -14.783 -5.387 317 2HD ARG 44 1HD ARG 44 8.481 -13.901 -6.904 318 HE ARG 44 HE ARG 44 9.536 -12.137 -5.390 319 1HH1 ARG 44 1HH1 ARG 44 9.861 -15.622 -4.904 320 2HH1 ARG 44 2HH1 ARG 44 11.391 -15.529 -4.188 321 1HH2 ARG 44 1HH2 ARG 44 11.638 -12.007 -4.380 322 2HH2 ARG 44 2HH2 ARG 44 12.436 -13.436 -3.895 323 H PHE 45 H PHE 45 4.475 -13.856 -2.361 324 HA PHE 45 HA PHE 45 2.832 -14.964 -4.387 325 1HB PHE 45 2HB PHE 45 3.619 -16.185 -2.383 326 2HB PHE 45 1HB PHE 45 2.631 -15.150 -1.375 327 HD1 PHE 45 1HD PHE 45 2.548 -17.739 -3.985 328 HD2 PHE 45 2HD PHE 45 0.293 -15.684 -0.979 329 HE1 PHE 45 1HE PHE 45 0.744 -19.393 -4.191 330 HE2 PHE 45 2HE PHE 45 -1.481 -17.341 -1.195 331 HZ PHE 45 HZ PHE 45 -1.271 -19.193 -2.799 332 H ILE 46 H ILE 46 2.344 -12.509 -1.912 333 HA ILE 46 HA ILE 46 -0.491 -12.300 -2.528 334 HB ILE 46 HB ILE 46 0.397 -12.156 -0.157 335 1HG1 ILE 46 2HG1 ILE 46 -1.012 -10.221 0.556 336 2HG1 ILE 46 1HG1 ILE 46 -1.188 -9.777 -1.142 337 1HG2 ILE 46 1HG2 ILE 46 2.373 -10.847 -0.609 338 2HG2 ILE 46 2HG2 ILE 46 1.388 -10.101 0.647 339 3HG2 ILE 46 3HG2 ILE 46 1.382 -9.440 -0.994 340 1HD1 ILE 46 1HD1 ILE 46 -2.289 -11.902 -1.565 341 2HD1 ILE 46 2HD1 ILE 46 -3.116 -10.995 -0.291 342 3HD1 ILE 46 3HD1 ILE 46 -2.053 -12.347 0.122 343 H ALA 47 H ALA 47 2.265 -11.172 -3.873 344 HA ALA 47 HA ALA 47 1.806 -8.437 -4.245 345 1HB ALA 47 1HB ALA 47 3.417 -10.199 -6.101 346 2HB ALA 47 2HB ALA 47 4.008 -9.494 -4.604 347 3HB ALA 47 3HB ALA 47 3.524 -8.447 -5.936 348 HA PRO 48 HA PRO 48 -0.216 -9.333 -8.553 349 1HB PRO 48 2HB PRO 48 -1.356 -12.035 -8.300 350 2HB PRO 48 1HB PRO 48 -0.446 -11.327 -9.629 351 1HG PRO 48 2HG PRO 48 0.625 -13.220 -8.046 352 2HG PRO 48 1HG PRO 48 1.600 -11.908 -8.731 353 1HD PRO 48 2HD PRO 48 0.483 -12.203 -5.969 354 2HD PRO 48 1HD PRO 48 2.079 -11.620 -6.478 355 H PHE 49 H PHE 49 -1.364 -10.713 -5.642 356 HA PHE 49 HA PHE 49 -4.171 -10.348 -6.013 357 1HB PHE 49 2HB PHE 49 -3.012 -11.890 -4.330 358 2HB PHE 49 1HB PHE 49 -2.655 -10.452 -3.399 359 HD1 PHE 49 1HD PHE 49 -4.472 -9.259 -2.214 360 HD2 PHE 49 2HD PHE 49 -5.173 -12.834 -4.414 361 HE1 PHE 49 1HE PHE 49 -6.646 -9.556 -1.053 362 HE2 PHE 49 2HE PHE 49 -7.324 -13.125 -3.272 363 HZ PHE 49 HZ PHE 49 -8.055 -11.502 -1.607 364 H PHE 50 H PHE 50 -1.611 -8.510 -4.418 365 HA PHE 50 HA PHE 50 -3.243 -6.265 -3.637 366 1HB PHE 50 2HB PHE 50 -1.056 -6.875 -2.562 367 2HB PHE 50 1HB PHE 50 -0.239 -6.447 -4.053 368 HD1 PHE 50 1HD PHE 50 -2.249 -5.104 -1.262 369 HD2 PHE 50 2HD PHE 50 0.371 -4.199 -4.487 370 HE1 PHE 50 1HE PHE 50 -2.018 -2.808 -0.422 371 HE2 PHE 50 2HE PHE 50 0.601 -1.898 -3.653 372 HZ PHE 50 HZ PHE 50 -0.589 -1.199 -1.618 373 H ALA 51 H ALA 51 -1.352 -7.076 -6.449 374 HA ALA 51 HA ALA 51 -1.675 -4.581 -7.758 375 1HB ALA 51 1HB ALA 51 -1.010 -5.767 -9.792 376 2HB ALA 51 2HB ALA 51 -1.245 -7.311 -8.972 377 3HB ALA 51 3HB ALA 51 0.032 -6.219 -8.441 378 H ASP 52 H ASP 52 -3.678 -7.399 -7.404 379 HA ASP 52 HA ASP 52 -5.601 -6.798 -9.446 380 1HB ASP 52 2HB ASP 52 -5.253 -9.021 -8.271 381 2HB ASP 52 1HB ASP 52 -6.033 -8.311 -6.895 382 H LEU 53 H LEU 53 -5.291 -6.234 -6.036 383 HA LEU 53 HA LEU 53 -7.612 -4.796 -5.560 384 1HB LEU 53 2HB LEU 53 -4.849 -4.634 -4.433 385 2HB LEU 53 1HB LEU 53 -6.164 -3.816 -3.691 386 HG LEU 53 HG LEU 53 -5.723 -6.755 -3.928 387 1HD1 LEU 53 1HD1 LEU 53 -4.449 -5.621 -2.178 388 2HD1 LEU 53 2HD1 LEU 53 -5.696 -6.657 -1.486 389 3HD1 LEU 53 3HD1 LEU 53 -5.938 -4.913 -1.558 390 1HD2 LEU 53 1HD2 LEU 53 -8.128 -5.311 -2.826 391 2HD2 LEU 53 2HD2 LEU 53 -7.784 -7.025 -2.634 392 3HD2 LEU 53 3HD2 LEU 53 -8.094 -6.371 -4.241 393 H ALA 54 H ALA 54 -4.430 -3.727 -6.607 394 HA ALA 54 HA ALA 54 -5.042 -1.009 -6.862 395 1HB ALA 54 1HB ALA 54 -2.748 -1.860 -6.800 396 2HB ALA 54 2HB ALA 54 -3.018 -0.869 -8.237 397 3HB ALA 54 3HB ALA 54 -2.985 -2.625 -8.372 398 H LYS 55 H LYS 55 -5.493 -3.708 -8.952 399 HA LYS 55 HA LYS 55 -6.135 -2.451 -11.417 400 1HB LYS 55 2HB LYS 55 -5.534 -4.777 -11.170 401 2HB LYS 55 1HB LYS 55 -6.942 -5.068 -10.177 402 1HG LYS 55 2HG LYS 55 -8.307 -4.430 -12.238 403 2HG LYS 55 1HG LYS 55 -6.787 -4.588 -13.132 404 1HD LYS 55 2HD LYS 55 -8.072 -6.732 -11.424 405 2HD LYS 55 1HD LYS 55 -8.051 -6.692 -13.182 406 1HE LYS 55 2HE LYS 55 -5.671 -6.988 -13.223 407 2HE LYS 55 1HE LYS 55 -5.554 -6.800 -11.479 408 1HZ LYS 55 1HZ LYS 55 -6.935 -9.030 -12.886 409 2HZ LYS 55 2HZ LYS 55 -6.831 -8.835 -11.211 410 3HZ LYS 55 3HZ LYS 55 -5.436 -9.112 -12.109 411 H LYS 56 H LYS 56 -8.026 -3.420 -8.634 412 HA LYS 56 HA LYS 56 -10.532 -2.767 -9.937 413 1HB LYS 56 2HB LYS 56 -10.247 -4.845 -8.612 414 2HB LYS 56 1HB LYS 56 -10.033 -3.869 -7.169 415 1HG LYS 56 2HG LYS 56 -12.300 -2.990 -7.451 416 2HG LYS 56 1HG LYS 56 -12.499 -4.004 -8.881 417 1HD LYS 56 2HD LYS 56 -12.144 -5.992 -7.505 418 2HD LYS 56 1HD LYS 56 -11.958 -4.969 -6.084 419 1HE LYS 56 2HE LYS 56 -14.434 -5.222 -7.801 420 2HE LYS 56 1HE LYS 56 -14.212 -5.893 -6.187 421 1HZ LYS 56 1HZ LYS 56 -14.027 -3.606 -5.329 422 2HZ LYS 56 2HZ LYS 56 -15.480 -3.861 -6.100 423 3HZ LYS 56 3HZ LYS 56 -14.283 -3.003 -6.885 424 H LEU 57 H LEU 57 -8.302 -0.981 -8.386 425 HA LEU 57 HA LEU 57 -9.273 0.392 -6.278 426 1HB LEU 57 2HB LEU 57 -7.739 2.096 -6.704 427 2HB LEU 57 1HB LEU 57 -7.046 0.682 -7.456 428 HG LEU 57 HG LEU 57 -8.369 3.008 -8.866 429 1HD1 LEU 57 1HD1 LEU 57 -5.499 2.147 -8.780 430 2HD1 LEU 57 2HD1 LEU 57 -6.205 3.572 -8.019 431 3HD1 LEU 57 3HD1 LEU 57 -6.150 3.447 -9.778 432 1HD2 LEU 57 1HD2 LEU 57 -8.793 0.949 -10.125 433 2HD2 LEU 57 2HD2 LEU 57 -7.068 0.572 -10.107 434 3HD2 LEU 57 3HD2 LEU 57 -7.654 1.988 -10.984 435 HA PRO 58 HA PRO 58 -12.749 2.867 -7.848 436 1HB PRO 58 2HB PRO 58 -12.506 4.261 -5.274 437 2HB PRO 58 1HB PRO 58 -13.881 3.339 -5.888 438 1HG PRO 58 2HG PRO 58 -12.327 2.494 -3.835 439 2HG PRO 58 1HG PRO 58 -13.152 1.379 -4.941 440 1HD PRO 58 2HD PRO 58 -10.276 2.174 -4.826 441 2HD PRO 58 1HD PRO 58 -11.018 0.620 -5.267 442 H ASN 59 H ASN 59 -10.467 4.334 -5.626 443 HA ASN 59 HA ASN 59 -8.931 5.697 -7.520 444 1HB ASN 59 2HB ASN 59 -10.931 7.225 -7.499 445 2HB ASN 59 1HB ASN 59 -10.671 7.437 -5.772 446 1HD2 ASN 59 1HD2 ASN 59 -10.294 9.635 -5.936 447 2HD2 ASN 59 2HD2 ASN 59 -8.853 10.293 -6.623 448 H VAL 60 H VAL 60 -7.654 4.269 -6.228 449 HA VAL 60 HA VAL 60 -6.851 5.459 -3.686 450 HB VAL 60 HB VAL 60 -7.239 2.488 -4.215 451 1HG1 VAL 60 1HG1 VAL 60 -6.202 3.888 -1.752 452 2HG1 VAL 60 2HG1 VAL 60 -5.268 2.867 -2.845 453 3HG1 VAL 60 3HG1 VAL 60 -6.569 2.168 -1.878 454 1HG2 VAL 60 1HG2 VAL 60 -8.913 2.583 -2.423 455 2HG2 VAL 60 2HG2 VAL 60 -9.343 3.669 -3.754 456 3HG2 VAL 60 3HG2 VAL 60 -8.653 4.321 -2.274 457 H LEU 61 H LEU 61 -4.663 5.645 -3.473 458 HA LEU 61 HA LEU 61 -3.038 4.783 -5.684 459 1HB LEU 61 2HB LEU 61 -2.483 6.384 -3.200 460 2HB LEU 61 1HB LEU 61 -1.325 6.061 -4.466 461 HG LEU 61 HG LEU 61 -3.855 7.686 -4.765 462 1HD1 LEU 61 1HD1 LEU 61 -2.338 9.591 -4.994 463 2HD1 LEU 61 2HD1 LEU 61 -0.965 8.536 -4.661 464 3HD1 LEU 61 3HD1 LEU 61 -2.182 8.822 -3.414 465 1HD2 LEU 61 1HD2 LEU 61 -2.947 8.287 -6.961 466 2HD2 LEU 61 2HD2 LEU 61 -3.268 6.559 -6.844 467 3HD2 LEU 61 3HD2 LEU 61 -1.611 7.160 -6.719 468 H PHE 62 H PHE 62 -2.186 2.772 -5.568 469 HA PHE 62 HA PHE 62 -1.607 1.668 -2.923 470 1HB PHE 62 2HB PHE 62 -1.657 0.292 -5.586 471 2HB PHE 62 1HB PHE 62 -1.322 -0.479 -4.065 472 HD1 PHE 62 1HD PHE 62 -3.020 -1.255 -2.640 473 HD2 PHE 62 2HD PHE 62 -4.022 1.253 -5.922 474 HE1 PHE 62 1HE PHE 62 -5.403 -1.721 -2.263 475 HE2 PHE 62 2HE PHE 62 -6.409 0.788 -5.541 476 HZ PHE 62 HZ PHE 62 -7.098 -0.697 -3.725 477 H LEU 63 H LEU 63 0.329 1.180 -2.356 478 HA LEU 63 HA LEU 63 2.515 1.772 -4.213 479 1HB LEU 63 2HB LEU 63 2.230 2.744 -1.413 480 2HB LEU 63 1HB LEU 63 3.794 2.599 -2.166 481 HG LEU 63 HG LEU 63 3.010 4.224 -3.918 482 1HD1 LEU 63 1HD1 LEU 63 0.685 4.613 -2.063 483 2HD1 LEU 63 2HD1 LEU 63 0.615 3.963 -3.699 484 3HD1 LEU 63 3HD1 LEU 63 1.095 5.642 -3.434 485 1HD2 LEU 63 1HD2 LEU 63 3.259 6.175 -2.494 486 2HD2 LEU 63 2HD2 LEU 63 4.410 4.906 -2.070 487 3HD2 LEU 63 3HD2 LEU 63 2.985 5.175 -1.071 488 H LYS 64 H LYS 64 4.400 0.816 -3.942 489 HA LYS 64 HA LYS 64 4.516 -1.551 -2.212 490 1HB LYS 64 2HB LYS 64 4.317 -2.070 -4.634 491 2HB LYS 64 1HB LYS 64 5.694 -1.053 -4.973 492 1HG LYS 64 2HG LYS 64 6.577 -3.188 -5.092 493 2HG LYS 64 1HG LYS 64 6.982 -2.699 -3.453 494 1HD LYS 64 2HD LYS 64 4.628 -4.450 -4.228 495 2HD LYS 64 1HD LYS 64 6.165 -5.045 -3.628 496 1HE LYS 64 2HE LYS 64 5.726 -3.792 -1.498 497 2HE LYS 64 1HE LYS 64 4.148 -3.361 -2.168 498 1HZ LYS 64 1HZ LYS 64 5.075 -6.125 -1.763 499 2HZ LYS 64 2HZ LYS 64 3.525 -5.664 -2.232 500 3HZ LYS 64 3HZ LYS 64 4.101 -5.294 -0.693 501 H VAL 65 H VAL 65 6.009 -1.090 -0.632 502 HA VAL 65 HA VAL 65 8.247 0.654 -1.391 503 HB VAL 65 HB VAL 65 6.898 0.432 1.322 504 1HG1 VAL 65 1HG1 VAL 65 9.186 2.172 0.437 505 2HG1 VAL 65 2HG1 VAL 65 9.314 0.796 1.536 506 3HG1 VAL 65 3HG1 VAL 65 8.409 2.236 2.017 507 1HG2 VAL 65 1HG2 VAL 65 6.990 2.706 -0.654 508 2HG2 VAL 65 2HG2 VAL 65 6.257 2.767 0.951 509 3HG2 VAL 65 3HG2 VAL 65 5.588 1.703 -0.287 510 H ASP 66 H ASP 66 10.178 -0.245 -1.256 511 HA ASP 66 HA ASP 66 10.395 -2.893 -0.117 512 1HB ASP 66 2HB ASP 66 11.511 -2.292 -2.295 513 2HB ASP 66 1HB ASP 66 12.548 -1.238 -1.334 514 H THR 67 H THR 67 10.646 -3.085 1.893 515 HA THR 67 HA THR 67 11.578 -0.993 3.607 516 HB THR 67 HB THR 67 9.833 -2.570 4.385 517 HG1 THR 67 1HG THR 67 10.883 -3.209 6.415 518 1HG2 THR 67 1HG2 THR 67 10.388 -4.892 4.972 519 2HG2 THR 67 2HG2 THR 67 12.011 -4.667 4.326 520 3HG2 THR 67 3HG2 THR 67 10.615 -4.594 3.251 521 H ASP 68 H ASP 68 13.167 -3.466 1.905 522 HA ASP 68 HA ASP 68 15.352 -3.846 3.718 523 1HB ASP 68 2HB ASP 68 14.629 -5.471 1.952 524 2HB ASP 68 1HB ASP 68 15.204 -4.346 0.749 525 H GLU 69 H GLU 69 14.746 -1.969 0.781 526 HA GLU 69 HA GLU 69 17.167 -0.551 0.866 527 1HB GLU 69 2HB GLU 69 14.549 -0.185 -0.514 528 2HB GLU 69 1HB GLU 69 15.874 0.939 -0.707 529 1HG GLU 69 2HG GLU 69 17.266 -0.920 -1.577 530 2HG GLU 69 1HG GLU 69 15.883 -1.992 -1.360 531 H LEU 70 H LEU 70 13.753 0.501 1.556 532 HA LEU 70 HA LEU 70 14.812 2.868 2.698 533 1HB LEU 70 2HB LEU 70 12.054 1.904 2.079 534 2HB LEU 70 1HB LEU 70 12.428 3.432 2.834 535 HG LEU 70 HG LEU 70 13.310 2.598 0.068 536 1HD1 LEU 70 1HD1 LEU 70 10.931 2.983 0.148 537 2HD1 LEU 70 2HD1 LEU 70 11.732 4.289 -0.723 538 3HD1 LEU 70 3HD1 LEU 70 11.179 4.543 0.932 539 1HD2 LEU 70 1HD2 LEU 70 14.000 4.934 -0.171 540 2HD2 LEU 70 2HD2 LEU 70 14.903 4.115 1.097 541 3HD2 LEU 70 3HD2 LEU 70 13.596 5.225 1.520 542 H LYS 71 H LYS 71 15.812 1.587 4.377 543 HA LYS 71 HA LYS 71 14.292 0.321 6.408 544 1HB LYS 71 2HB LYS 71 17.073 1.492 6.524 545 2HB LYS 71 1HB LYS 71 16.363 0.440 7.739 546 1HG LYS 71 2HG LYS 71 16.219 -1.364 6.112 547 2HG LYS 71 1HG LYS 71 16.881 -0.304 4.870 548 1HD LYS 71 2HD LYS 71 18.953 -0.090 6.143 549 2HD LYS 71 1HD LYS 71 18.285 -1.108 7.416 550 1HE LYS 71 2HE LYS 71 18.106 -2.973 5.836 551 2HE LYS 71 1HE LYS 71 18.742 -1.949 4.555 552 1HZ LYS 71 1HZ LYS 71 20.194 -2.707 7.029 553 2HZ LYS 71 2HZ LYS 71 20.833 -1.802 5.723 554 3HZ LYS 71 3HZ LYS 71 20.397 -3.407 5.518 555 H SER 72 H SER 72 15.493 3.585 5.975 556 HA SER 72 HA SER 72 14.826 4.559 8.525 557 1HB SER 72 2HB SER 72 15.010 6.034 5.923 558 2HB SER 72 1HB SER 72 15.115 6.768 7.527 559 HG SER 72 HG SER 72 16.994 5.684 7.901 560 H VAL 73 H VAL 73 13.001 4.294 5.546 561 HA VAL 73 HA VAL 73 10.743 5.740 6.486 562 HB VAL 73 HB VAL 73 10.925 3.684 4.251 563 1HG1 VAL 73 1HG1 VAL 73 8.621 3.962 5.005 564 2HG1 VAL 73 2HG1 VAL 73 8.841 4.681 3.409 565 3HG1 VAL 73 3HG1 VAL 73 8.763 5.711 4.836 566 1HG2 VAL 73 1HG2 VAL 73 12.378 5.600 3.863 567 2HG2 VAL 73 2HG2 VAL 73 11.038 6.699 4.178 568 3HG2 VAL 73 3HG2 VAL 73 11.000 5.651 2.761 569 H ALA 74 H ALA 74 11.598 2.306 6.284 570 HA ALA 74 HA ALA 74 9.292 1.217 7.362 571 1HB ALA 74 1HB ALA 74 10.687 -0.686 7.984 572 2HB ALA 74 2HB ALA 74 12.134 0.288 7.740 573 3HB ALA 74 3HB ALA 74 11.097 -0.109 6.370 574 H SER 75 H SER 75 12.223 2.351 9.008 575 HA SER 75 HA SER 75 11.464 1.737 11.621 576 1HB SER 75 2HB SER 75 13.251 3.975 10.662 577 2HB SER 75 1HB SER 75 13.200 3.320 12.301 578 HG SER 75 HG SER 75 14.147 2.127 9.922 579 H ASP 76 H ASP 76 10.857 4.649 9.683 580 HA ASP 76 HA ASP 76 9.862 6.269 11.781 581 1HB ASP 76 2HB ASP 76 10.600 7.166 9.588 582 2HB ASP 76 1HB ASP 76 9.201 6.416 8.830 583 H TRP 77 H TRP 77 8.350 3.981 9.615 584 HA TRP 77 HA TRP 77 5.781 4.563 10.748 585 1HB TRP 77 2HB TRP 77 6.609 2.867 8.438 586 2HB TRP 77 1HB TRP 77 4.929 3.010 8.959 587 HD1 TRP 77 HD TRP 77 7.762 5.077 7.360 588 HE1 TRP 77 1HE TRP 77 6.743 7.093 6.148 589 HE3 TRP 77 3HE TRP 77 2.899 4.540 8.828 590 HZ2 TRP 77 2HZ TRP 77 4.219 8.295 5.832 591 HZ3 TRP 77 3HZ TRP 77 1.243 6.169 8.015 592 HH2 TRP 77 HH TRP 77 1.890 8.004 6.551 593 H ALA 78 H ALA 78 8.228 2.873 11.807 594 HA ALA 78 HA ALA 78 8.583 1.179 13.275 595 1HB ALA 78 1HB ALA 78 6.747 0.514 14.746 596 2HB ALA 78 2HB ALA 78 5.586 1.239 13.633 597 3HB ALA 78 3HB ALA 78 6.737 2.260 14.491 598 H ILE 79 H ILE 79 8.038 0.560 10.477 599 HA ILE 79 HA ILE 79 6.653 -1.989 10.418 600 HB ILE 79 HB ILE 79 8.335 -0.646 8.288 601 1HG1 ILE 79 2HG1 ILE 79 6.412 0.749 8.845 602 2HG1 ILE 79 1HG1 ILE 79 6.188 0.024 7.260 603 1HG2 ILE 79 1HG2 ILE 79 7.224 -2.161 6.720 604 2HG2 ILE 79 2HG2 ILE 79 6.385 -2.938 8.061 605 3HG2 ILE 79 3HG2 ILE 79 8.140 -3.049 7.938 606 1HD1 ILE 79 1HD1 ILE 79 4.121 0.021 8.521 607 2HD1 ILE 79 2HD1 ILE 79 4.894 -0.857 9.836 608 3HD1 ILE 79 3HD1 ILE 79 4.676 -1.634 8.268 609 H GLN 80 H GLN 80 7.460 -3.778 10.824 610 HA GLN 80 HA GLN 80 10.326 -4.256 10.506 611 1HB GLN 80 2HB GLN 80 10.022 -3.727 12.848 612 2HB GLN 80 1HB GLN 80 8.702 -4.879 12.969 613 1HG GLN 80 2HG GLN 80 10.257 -6.710 12.551 614 2HG GLN 80 1HG GLN 80 11.578 -5.551 12.405 615 1HE2 GLN 80 1HE2 GLN 80 11.119 -7.747 14.286 616 2HE2 GLN 80 2HE2 GLN 80 11.228 -7.022 15.853 617 H ALA 81 H ALA 81 7.086 -5.531 10.986 618 HA ALA 81 HA ALA 81 7.929 -8.191 10.235 619 1HB ALA 81 1HB ALA 81 6.233 -7.914 11.979 620 2HB ALA 81 2HB ALA 81 5.592 -8.804 10.597 621 3HB ALA 81 3HB ALA 81 5.178 -7.107 10.823 622 H MET 82 H MET 82 7.281 -9.257 8.330 623 HA MET 82 HA MET 82 6.505 -7.384 6.250 624 1HB MET 82 2HB MET 82 8.412 -9.688 6.101 625 2HB MET 82 1HB MET 82 7.937 -8.681 4.763 626 1HG MET 82 2HG MET 82 9.040 -6.770 5.617 627 2HG MET 82 1HG MET 82 9.268 -7.518 7.195 628 1HE MET 82 1HE MET 82 9.778 -9.422 3.847 629 2HE MET 82 2HE MET 82 11.468 -9.100 3.469 630 3HE MET 82 3HE MET 82 10.277 -7.797 3.373 631 HA PRO 83 HA PRO 83 5.611 -7.241 4.665 632 1HB PRO 83 2HB PRO 83 3.472 -7.129 3.053 633 2HB PRO 83 1HB PRO 83 4.877 -8.122 2.645 634 1HG PRO 83 2HG PRO 83 2.228 -8.948 3.712 635 2HG PRO 83 1HG PRO 83 3.300 -9.794 2.585 636 1HD PRO 83 2HD PRO 83 3.069 -10.254 5.362 637 2HD PRO 83 1HD PRO 83 4.318 -10.902 4.288 638 H THR 84 H THR 84 4.411 -5.190 5.123 639 HA THR 84 HA THR 84 2.045 -5.604 6.801 640 HB THR 84 HB THR 84 3.960 -3.361 6.915 641 HG1 THR 84 1HG THR 84 4.685 -5.452 7.838 642 1HG2 THR 84 1HG2 THR 84 2.744 -2.701 9.001 643 2HG2 THR 84 2HG2 THR 84 1.593 -4.000 8.685 644 3HG2 THR 84 3HG2 THR 84 1.727 -2.649 7.559 645 H PHE 85 H PHE 85 0.185 -4.809 6.006 646 HA PHE 85 HA PHE 85 0.294 -2.998 3.738 647 1HB PHE 85 2HB PHE 85 -1.892 -4.702 4.932 648 2HB PHE 85 1HB PHE 85 -2.050 -3.694 3.511 649 HD1 PHE 85 1HD PHE 85 -1.264 -4.467 1.380 650 HD2 PHE 85 2HD PHE 85 -0.562 -6.759 4.896 651 HE1 PHE 85 1HE PHE 85 -0.613 -6.394 -0.006 652 HE2 PHE 85 2HE PHE 85 0.095 -8.680 3.518 653 HZ PHE 85 HZ PHE 85 0.070 -8.497 1.062 654 H MET 86 H MET 86 -0.118 -0.933 4.281 655 HA MET 86 HA MET 86 -1.753 -0.493 6.668 656 1HB MET 86 2HB MET 86 0.521 0.317 6.945 657 2HB MET 86 1HB MET 86 0.348 1.331 5.511 658 1HG MET 86 2HG MET 86 -1.419 2.600 6.632 659 2HG MET 86 1HG MET 86 -1.254 1.580 8.053 660 1HE MET 86 1HE MET 86 1.957 1.206 8.163 661 2HE MET 86 2HE MET 86 0.943 1.509 9.572 662 3HE MET 86 3HE MET 86 2.364 2.504 9.284 663 H PHE 87 H PHE 87 -3.663 0.347 6.363 664 HA PHE 87 HA PHE 87 -4.287 1.526 3.826 665 1HB PHE 87 2HB PHE 87 -5.872 0.372 6.094 666 2HB PHE 87 1HB PHE 87 -6.570 1.142 4.690 667 HD1 PHE 87 1HD PHE 87 -4.693 -1.783 5.907 668 HD2 PHE 87 2HD PHE 87 -6.722 -0.019 2.616 669 HE1 PHE 87 1HE PHE 87 -4.672 -3.946 4.736 670 HE2 PHE 87 2HE PHE 87 -6.699 -2.167 1.443 671 HZ PHE 87 HZ PHE 87 -5.678 -4.132 2.495 672 H LEU 88 H LEU 88 -4.259 3.685 3.876 673 HA LEU 88 HA LEU 88 -5.284 4.889 6.245 674 1HB LEU 88 2HB LEU 88 -3.572 6.708 6.183 675 2HB LEU 88 1HB LEU 88 -2.921 5.128 6.540 676 HG LEU 88 HG LEU 88 -2.679 6.439 3.832 677 1HD1 LEU 88 1HD1 LEU 88 -1.591 7.808 5.553 678 2HD1 LEU 88 2HD1 LEU 88 -0.392 7.016 4.532 679 3HD1 LEU 88 3HD1 LEU 88 -0.733 6.385 6.144 680 1HD2 LEU 88 1HD2 LEU 88 -0.848 4.832 3.532 681 2HD2 LEU 88 2HD2 LEU 88 -2.364 3.991 3.860 682 3HD2 LEU 88 3HD2 LEU 88 -1.157 4.171 5.136 683 H LYS 89 H LYS 89 -5.963 7.201 5.767 684 HA LYS 89 HA LYS 89 -6.789 7.387 2.971 685 1HB LYS 89 2HB LYS 89 -8.603 6.356 4.237 686 2HB LYS 89 1HB LYS 89 -8.575 7.704 5.361 687 1HG LYS 89 2HG LYS 89 -9.334 9.205 3.633 688 2HG LYS 89 1HG LYS 89 -9.272 7.907 2.434 689 1HD LYS 89 2HD LYS 89 -10.955 6.671 3.704 690 2HD LYS 89 1HD LYS 89 -11.019 7.960 4.898 691 1HE LYS 89 2HE LYS 89 -11.781 9.516 3.154 692 2HE LYS 89 1HE LYS 89 -11.724 8.200 1.980 693 1HZ LYS 89 1HZ LYS 89 -13.463 8.279 4.388 694 2HZ LYS 89 2HZ LYS 89 -13.405 7.037 3.286 695 3HZ LYS 89 3HZ LYS 89 -13.990 8.530 2.815 696 H GLU 90 H GLU 90 -6.493 9.259 2.139 697 HA GLU 90 HA GLU 90 -6.059 11.244 1.787 698 1HB GLU 90 2HB GLU 90 -7.098 11.756 4.537 699 2HB GLU 90 1HB GLU 90 -6.655 13.101 3.498 700 1HG GLU 90 2HG GLU 90 -8.415 12.430 1.941 701 2HG GLU 90 1HG GLU 90 -8.812 11.054 2.973 702 H GLY 91 H GLY 91 -4.252 9.461 3.401 703 1HA GLY 91 2HA GLY 91 -1.954 9.644 3.960 704 2HA GLY 91 1HA GLY 91 -2.173 11.373 4.181 705 H LYS 92 H LYS 92 -4.705 10.068 5.758 706 HA LYS 92 HA LYS 92 -3.366 10.122 8.372 707 1HB LYS 92 2HB LYS 92 -6.281 10.207 7.569 708 2HB LYS 92 1HB LYS 92 -5.710 10.295 9.224 709 1HG LYS 92 2HG LYS 92 -4.665 12.428 8.820 710 2HG LYS 92 1HG LYS 92 -4.993 12.300 7.093 711 1HD LYS 92 2HD LYS 92 -7.141 12.424 9.219 712 2HD LYS 92 1HD LYS 92 -6.557 13.827 8.324 713 1HE LYS 92 2HE LYS 92 -7.239 12.802 6.231 714 2HE LYS 92 1HE LYS 92 -7.792 11.364 7.063 715 1HZ LYS 92 1HZ LYS 92 -9.505 12.715 8.145 716 2HZ LYS 92 2HZ LYS 92 -9.595 12.845 6.464 717 3HZ LYS 92 3HZ LYS 92 -8.932 14.095 7.362 718 H ILE 93 H ILE 93 -3.210 8.258 9.562 719 HA ILE 93 HA ILE 93 -3.607 5.766 8.238 720 HB ILE 93 HB ILE 93 -2.835 6.279 11.122 721 1HG1 ILE 93 2HG1 ILE 93 -1.121 5.684 8.697 722 2HG1 ILE 93 1HG1 ILE 93 -1.249 7.245 9.495 723 1HG2 ILE 93 1HG2 ILE 93 -2.593 3.748 9.480 724 2HG2 ILE 93 2HG2 ILE 93 -3.704 4.009 10.821 725 3HG2 ILE 93 3HG2 ILE 93 -1.962 3.976 11.113 726 1HD1 ILE 93 1HD1 ILE 93 0.801 6.116 10.132 727 2HD1 ILE 93 2HD1 ILE 93 -0.123 4.716 10.679 728 3HD1 ILE 93 3HD1 ILE 93 -0.271 6.253 11.526 729 H LEU 94 H LEU 94 -5.232 4.325 8.273 730 HA LEU 94 HA LEU 94 -7.410 4.774 10.158 731 1HB LEU 94 2HB LEU 94 -7.295 3.372 7.513 732 2HB LEU 94 1HB LEU 94 -8.679 3.300 8.555 733 HG LEU 94 HG LEU 94 -7.584 5.801 7.255 734 1HD1 LEU 94 1HD1 LEU 94 -9.682 5.708 5.980 735 2HD1 LEU 94 2HD1 LEU 94 -10.034 4.139 6.718 736 3HD1 LEU 94 3HD1 LEU 94 -8.637 4.328 5.664 737 1HD2 LEU 94 1HD2 LEU 94 -10.028 5.375 8.971 738 2HD2 LEU 94 2HD2 LEU 94 -9.642 6.848 8.095 739 3HD2 LEU 94 3HD2 LEU 94 -8.601 6.313 9.414 740 H ASP 95 H ASP 95 -5.902 2.041 8.418 741 HA ASP 95 HA ASP 95 -5.666 0.532 10.823 742 1HB ASP 95 2HB ASP 95 -6.904 -1.369 9.786 743 2HB ASP 95 1HB ASP 95 -7.928 -0.135 10.499 744 H LYS 96 H LYS 96 -4.650 -1.512 10.459 745 HA LYS 96 HA LYS 96 -3.280 -1.723 7.907 746 1HB LYS 96 2HB LYS 96 -1.079 -1.951 9.026 747 2HB LYS 96 1HB LYS 96 -1.771 -0.343 9.154 748 1HG LYS 96 2HG LYS 96 -2.488 -0.822 11.433 749 2HG LYS 96 1HG LYS 96 -1.807 -2.445 11.306 750 1HD LYS 96 2HD LYS 96 0.412 -1.502 10.972 751 2HD LYS 96 1HD LYS 96 -0.266 0.126 11.047 752 1HE LYS 96 2HE LYS 96 -0.989 -0.252 13.324 753 2HE LYS 96 1HE LYS 96 -0.387 -1.906 13.265 754 1HZ LYS 96 1HZ LYS 96 1.238 0.542 12.989 755 2HZ LYS 96 2HZ LYS 96 1.838 -1.043 12.976 756 3HZ LYS 96 3HZ LYS 96 1.148 -0.411 14.373 757 H VAL 97 H VAL 97 -2.601 -3.734 7.392 758 HA VAL 97 HA VAL 97 -3.350 -5.898 9.239 759 HB VAL 97 HB VAL 97 -3.329 -5.946 6.195 760 1HG1 VAL 97 1HG1 VAL 97 -2.771 -8.120 7.148 761 2HG1 VAL 97 2HG1 VAL 97 -4.372 -8.161 6.412 762 3HG1 VAL 97 3HG1 VAL 97 -4.210 -8.059 8.165 763 1HG2 VAL 97 1HG2 VAL 97 -5.193 -4.622 7.046 764 2HG2 VAL 97 2HG2 VAL 97 -5.673 -5.951 8.101 765 3HG2 VAL 97 3HG2 VAL 97 -5.774 -6.133 6.351 766 H VAL 98 H VAL 98 -1.622 -6.991 9.928 767 HA VAL 98 HA VAL 98 0.811 -6.713 8.360 768 HB VAL 98 HB VAL 98 0.963 -5.887 10.677 769 1HG1 VAL 98 1HG1 VAL 98 0.440 -8.719 11.532 770 2HG1 VAL 98 2HG1 VAL 98 -0.599 -7.319 11.808 771 3HG1 VAL 98 3HG1 VAL 98 0.979 -7.415 12.590 772 1HG2 VAL 98 1HG2 VAL 98 2.974 -6.674 9.604 773 2HG2 VAL 98 2HG2 VAL 98 2.653 -8.319 10.155 774 3HG2 VAL 98 3HG2 VAL 98 3.018 -7.052 11.326 775 H GLY 99 H GLY 99 1.684 -8.373 7.364 776 1HA GLY 99 2HA GLY 99 2.282 -10.652 7.157 777 2HA GLY 99 1HA GLY 99 0.884 -11.081 8.130 778 H ALA 100 H ALA 100 1.651 -12.000 5.414 779 HA ALA 100 HA ALA 100 -0.260 -10.738 3.672 780 1HB ALA 100 1HB ALA 100 1.794 -11.718 2.751 781 2HB ALA 100 2HB ALA 100 0.363 -12.499 2.077 782 3HB ALA 100 3HB ALA 100 1.296 -13.308 3.335 783 H LYS 101 H LYS 101 -2.299 -10.982 4.164 784 HA LYS 101 HA LYS 101 -3.277 -13.644 4.775 785 1HB LYS 101 2HB LYS 101 -4.270 -10.977 5.744 786 2HB LYS 101 1HB LYS 101 -4.975 -12.548 6.107 787 1HG LYS 101 2HG LYS 101 -2.932 -13.208 7.267 788 2HG LYS 101 1HG LYS 101 -2.197 -11.652 6.872 789 1HD LYS 101 2HD LYS 101 -2.906 -11.749 9.063 790 2HD LYS 101 1HD LYS 101 -3.934 -10.614 8.151 791 1HE LYS 101 2HE LYS 101 -5.298 -11.977 9.709 792 2HE LYS 101 1HE LYS 101 -5.689 -12.360 8.037 793 1HZ LYS 101 1HZ LYS 101 -5.472 -14.345 9.362 794 2HZ LYS 101 2HZ LYS 101 -3.922 -13.921 9.832 795 3HZ LYS 101 3HZ LYS 101 -4.225 -14.325 8.226 796 H LYS 102 H LYS 102 -4.444 -14.228 2.779 797 HA LYS 102 HA LYS 102 -5.182 -12.250 1.024 798 1HB LYS 102 2HB LYS 102 -5.726 -15.148 1.260 799 2HB LYS 102 1HB LYS 102 -6.537 -14.186 0.051 800 1HG LYS 102 2HG LYS 102 -4.289 -13.498 -0.795 801 2HG LYS 102 1HG LYS 102 -3.580 -14.639 0.356 802 1HD LYS 102 2HD LYS 102 -4.746 -16.471 -0.677 803 2HD LYS 102 1HD LYS 102 -5.602 -15.363 -1.746 804 1HE LYS 102 2HE LYS 102 -3.504 -14.731 -2.779 805 2HE LYS 102 1HE LYS 102 -2.628 -15.820 -1.708 806 1HZ LYS 102 1HZ LYS 102 -3.011 -16.803 -3.880 807 2HZ LYS 102 2HZ LYS 102 -4.673 -16.643 -3.720 808 3HZ LYS 102 3HZ LYS 102 -3.835 -17.694 -2.715 809 H ASP 103 H ASP 103 -7.024 -14.294 3.245 810 HA ASP 103 HA ASP 103 -9.553 -13.393 2.367 811 1HB ASP 103 2HB ASP 103 -9.361 -15.576 3.332 812 2HB ASP 103 1HB ASP 103 -8.781 -14.903 4.848 813 H GLU 104 H GLU 104 -7.705 -12.600 5.326 814 HA GLU 104 HA GLU 104 -9.702 -10.808 6.213 815 1HB GLU 104 2HB GLU 104 -8.083 -11.687 7.835 816 2HB GLU 104 1HB GLU 104 -6.775 -10.868 6.989 817 1HG GLU 104 2HG GLU 104 -7.671 -8.714 7.561 818 2HG GLU 104 1HG GLU 104 -9.097 -9.448 8.270 819 H LEU 105 H LEU 105 -7.051 -10.436 4.017 820 HA LEU 105 HA LEU 105 -6.898 -7.642 3.973 821 1HB LEU 105 2HB LEU 105 -5.380 -9.318 2.849 822 2HB LEU 105 1HB LEU 105 -6.608 -9.495 1.649 823 HG LEU 105 HG LEU 105 -6.435 -7.213 0.974 824 1HD1 LEU 105 1HD1 LEU 105 -5.758 -6.182 3.099 825 2HD1 LEU 105 2HD1 LEU 105 -4.573 -5.792 1.851 826 3HD1 LEU 105 3HD1 LEU 105 -4.220 -7.042 3.038 827 1HD2 LEU 105 1HD2 LEU 105 -4.181 -7.297 -0.025 828 2HD2 LEU 105 2HD2 LEU 105 -4.996 -8.863 -0.119 829 3HD2 LEU 105 3HD2 LEU 105 -3.754 -8.587 1.094 830 H GLN 106 H GLN 106 -8.681 -9.898 2.007 831 HA GLN 106 HA GLN 106 -10.236 -8.073 0.518 832 1HB GLN 106 2HB GLN 106 -10.882 -10.887 1.368 833 2HB GLN 106 1HB GLN 106 -11.894 -9.955 0.270 834 1HG GLN 106 2HG GLN 106 -9.012 -10.598 -0.162 835 2HG GLN 106 1HG GLN 106 -10.358 -11.494 -0.881 836 1HE2 GLN 106 1HE2 GLN 106 -8.576 -8.507 -0.886 837 2HE2 GLN 106 2HE2 GLN 106 -9.264 -7.896 -2.354 838 H SER 107 H SER 107 -10.807 -9.439 3.654 839 HA SER 107 HA SER 107 -13.433 -8.362 3.921 840 1HB SER 107 2HB SER 107 -11.498 -9.241 6.079 841 2HB SER 107 1HB SER 107 -13.237 -9.002 6.278 842 HG SER 107 HG SER 107 -13.548 -10.640 4.696 843 H THR 108 H THR 108 -10.229 -7.230 4.677 844 HA THR 108 HA THR 108 -11.017 -4.888 6.049 845 HB THR 108 HB THR 108 -8.433 -5.511 4.571 846 HG1 THR 108 1HG THR 108 -8.669 -7.015 6.166 847 1HG2 THR 108 1HG2 THR 108 -7.441 -3.820 6.095 848 2HG2 THR 108 2HG2 THR 108 -9.022 -3.490 6.782 849 3HG2 THR 108 3HG2 THR 108 -8.695 -3.095 5.097 850 H ILE 109 H ILE 109 -10.265 -5.655 2.660 851 HA ILE 109 HA ILE 109 -10.470 -3.063 1.615 852 HB ILE 109 HB ILE 109 -11.254 -5.681 0.277 853 1HG1 ILE 109 2HG1 ILE 109 -8.901 -5.704 0.986 854 2HG1 ILE 109 1HG1 ILE 109 -9.031 -5.624 -0.763 855 1HG2 ILE 109 1HG2 ILE 109 -10.897 -4.496 -1.845 856 2HG2 ILE 109 2HG2 ILE 109 -10.652 -2.997 -0.947 857 3HG2 ILE 109 3HG2 ILE 109 -12.221 -3.803 -0.904 858 1HD1 ILE 109 1HD1 ILE 109 -8.433 -3.307 1.062 859 2HD1 ILE 109 2HD1 ILE 109 -8.529 -3.241 -0.700 860 3HD1 ILE 109 3HD1 ILE 109 -7.261 -4.184 0.083 861 H ALA 110 H ALA 110 -12.949 -5.585 2.006 862 HA ALA 110 HA ALA 110 -15.080 -3.979 1.087 863 1HB ALA 110 1HB ALA 110 -15.183 -6.441 1.148 864 2HB ALA 110 2HB ALA 110 -16.544 -5.710 1.997 865 3HB ALA 110 3HB ALA 110 -15.197 -6.389 2.910 866 H LYS 111 H LYS 111 -13.603 -4.342 4.201 867 HA LYS 111 HA LYS 111 -15.569 -3.114 5.814 868 1HB LYS 111 2HB LYS 111 -13.414 -4.388 6.439 869 2HB LYS 111 1HB LYS 111 -12.675 -2.855 6.091 870 1HG LYS 111 2HG LYS 111 -13.790 -1.727 7.855 871 2HG LYS 111 1HG LYS 111 -14.798 -3.134 8.197 872 1HD LYS 111 2HD LYS 111 -12.775 -4.408 8.794 873 2HD LYS 111 1HD LYS 111 -11.801 -2.968 8.511 874 1HE LYS 111 2HE LYS 111 -13.072 -1.801 10.274 875 2HE LYS 111 1HE LYS 111 -13.988 -3.275 10.564 876 1HZ LYS 111 1HZ LYS 111 -12.191 -3.035 12.146 877 2HZ LYS 111 2HZ LYS 111 -11.065 -2.943 10.913 878 3HZ LYS 111 3HZ LYS 111 -11.901 -4.387 11.178 879 H HIS 112 H HIS 112 -12.867 -1.908 3.953 880 HA HIS 112 HA HIS 112 -13.300 0.840 4.556 881 1HB HIS 112 2HB HIS 112 -11.654 -0.601 2.517 882 2HB HIS 112 1HB HIS 112 -11.846 1.134 2.448 883 HD1 HIS 112 1HD HIS 112 -10.318 2.476 3.902 884 HD2 HIS 112 2HD HIS 112 -10.269 -1.533 4.932 885 HE1 HIS 112 1HE HIS 112 -8.391 2.191 5.485 886 HE2 HIS 112 2HE HIS 112 -8.582 -0.174 6.279 887 H LEU 113 H LEU 113 -14.149 -1.232 1.671 888 HA LEU 113 HA LEU 113 -15.394 0.946 0.440 889 1HB LEU 113 2HB LEU 113 -14.735 -1.838 -0.115 890 2HB LEU 113 1HB LEU 113 -15.965 -1.082 -1.084 891 HG LEU 113 HG LEU 113 -13.857 -1.045 -2.243 892 1HD1 LEU 113 1HD1 LEU 113 -15.241 0.905 -2.568 893 2HD1 LEU 113 2HD1 LEU 113 -13.533 1.328 -2.646 894 3HD1 LEU 113 3HD1 LEU 113 -14.463 1.717 -1.206 895 1HD2 LEU 113 1HD2 LEU 113 -11.872 0.135 -1.375 896 2HD2 LEU 113 2HD2 LEU 113 -12.315 -1.257 -0.382 897 3HD2 LEU 113 3HD2 LEU 113 -12.707 0.373 0.161 898 H ALA 114 H ALA 114 -17.163 1.462 1.704 899 HA ALA 114 HA ALA 114 -19.105 -0.621 2.253 900 1HB ALA 114 1HB ALA 114 -18.655 1.055 3.993 901 2HB ALA 114 2HB ALA 114 -20.333 1.123 3.452 902 3HB ALA 114 3HB ALA 114 -19.179 2.333 2.895 Start of MODEL 6 1 H MET 1 H MET 1 -14.933 2.145 -18.161 2 HA MET 1 HA MET 1 -13.402 2.445 -16.609 3 1HB MET 1 2HB MET 1 -12.057 0.061 -17.869 4 2HB MET 1 1HB MET 1 -11.357 0.897 -16.494 5 1HG MET 1 2HG MET 1 -13.390 0.426 -15.202 6 2HG MET 1 1HG MET 1 -14.042 -0.454 -16.583 7 1HE MET 1 1HE MET 1 -13.707 -1.635 -13.587 8 2HE MET 1 2HE MET 1 -13.142 -3.262 -13.955 9 3HE MET 1 3HE MET 1 -14.436 -2.541 -14.913 10 H ALA 2 H ALA 2 -12.569 4.266 -16.624 11 HA ALA 2 HA ALA 2 -10.715 5.114 -18.695 12 1HB ALA 2 1HB ALA 2 -12.580 6.572 -18.047 13 2HB ALA 2 2HB ALA 2 -11.045 7.323 -17.633 14 3HB ALA 2 3HB ALA 2 -12.019 6.561 -16.379 15 H SER 3 H SER 3 -9.312 6.949 -17.089 16 HA SER 3 HA SER 3 -7.769 7.313 -15.547 17 1HB SER 3 2HB SER 3 -8.466 4.622 -14.344 18 2HB SER 3 1HB SER 3 -7.471 5.870 -13.590 19 HG SER 3 HG SER 3 -9.312 7.257 -13.776 20 H GLU 4 H GLU 4 -5.652 6.750 -14.920 21 HA GLU 4 HA GLU 4 -4.207 5.212 -16.960 22 1HB GLU 4 2HB GLU 4 -3.836 7.631 -16.743 23 2HB GLU 4 1HB GLU 4 -3.463 7.428 -15.051 24 1HG GLU 4 2HG GLU 4 -1.443 6.215 -15.644 25 2HG GLU 4 1HG GLU 4 -1.839 6.391 -17.357 26 H GLU 5 H GLU 5 -5.506 4.766 -14.156 27 HA GLU 5 HA GLU 5 -3.380 3.720 -12.485 28 1HB GLU 5 2HB GLU 5 -6.366 3.977 -12.196 29 2HB GLU 5 1HB GLU 5 -5.384 3.125 -11.015 30 1HG GLU 5 2HG GLU 5 -5.903 5.460 -10.356 31 2HG GLU 5 1HG GLU 5 -4.179 5.142 -10.459 32 H GLY 6 H GLY 6 -4.599 1.540 -11.354 33 1HA GLY 6 2HA GLY 6 -4.770 -0.729 -11.762 34 2HA GLY 6 1HA GLY 6 -4.527 -0.442 -13.503 35 H GLN 7 H GLN 7 -2.462 1.179 -11.406 36 HA GLN 7 HA GLN 7 -0.520 -0.941 -11.347 37 1HB GLN 7 2HB GLN 7 1.253 0.696 -11.994 38 2HB GLN 7 1HB GLN 7 0.234 0.102 -13.285 39 1HG GLN 7 2HG GLN 7 -1.033 2.221 -13.230 40 2HG GLN 7 1HG GLN 7 -0.040 2.774 -11.886 41 1HE2 GLN 7 1HE2 GLN 7 0.617 4.567 -13.058 42 2HE2 GLN 7 2HE2 GLN 7 1.759 4.473 -14.346 43 H VAL 8 H VAL 8 1.012 -0.671 -9.879 44 HA VAL 8 HA VAL 8 0.270 1.069 -7.651 45 HB VAL 8 HB VAL 8 0.317 -1.360 -7.308 46 1HG1 VAL 8 1HG1 VAL 8 2.435 -2.605 -7.197 47 2HG1 VAL 8 2HG1 VAL 8 3.259 -1.213 -7.901 48 3HG1 VAL 8 3HG1 VAL 8 2.022 -2.063 -8.826 49 1HG2 VAL 8 1HG2 VAL 8 2.423 0.126 -5.772 50 2HG2 VAL 8 2HG2 VAL 8 1.675 -1.392 -5.259 51 3HG2 VAL 8 3HG2 VAL 8 0.700 0.072 -5.411 52 H ILE 9 H ILE 9 1.837 2.606 -6.789 53 HA ILE 9 HA ILE 9 4.123 2.757 -8.562 54 HB ILE 9 HB ILE 9 2.955 4.918 -6.774 55 1HG1 ILE 9 2HG1 ILE 9 2.786 6.151 -8.985 56 2HG1 ILE 9 1HG1 ILE 9 3.198 4.652 -9.778 57 1HG2 ILE 9 1HG2 ILE 9 4.689 6.420 -7.658 58 2HG2 ILE 9 2HG2 ILE 9 5.460 5.046 -8.447 59 3HG2 ILE 9 3HG2 ILE 9 5.364 5.112 -6.689 60 1HD1 ILE 9 1HD1 ILE 9 0.740 5.132 -8.095 61 2HD1 ILE 9 2HD1 ILE 9 1.157 3.616 -8.893 62 3HD1 ILE 9 3HD1 ILE 9 0.799 5.048 -9.856 63 H ALA 10 H ALA 10 5.901 1.908 -7.934 64 HA ALA 10 HA ALA 10 6.372 1.413 -5.131 65 1HB ALA 10 1HB ALA 10 6.838 -0.364 -6.766 66 2HB ALA 10 2HB ALA 10 8.298 0.117 -5.905 67 3HB ALA 10 3HB ALA 10 8.026 0.673 -7.554 68 H CYS 11 H CYS 11 7.294 2.962 -3.943 69 HA CYS 11 HA CYS 11 8.854 5.003 -5.230 70 1HB CYS 11 2HB CYS 11 8.105 4.624 -2.332 71 2HB CYS 11 1HB CYS 11 8.786 6.044 -3.081 72 HG CYS 11 HG CYS 11 5.825 4.904 -4.258 73 H HIS 12 H HIS 12 11.041 4.987 -5.187 74 HA HIS 12 HA HIS 12 12.228 2.880 -3.570 75 1HB HIS 12 2HB HIS 12 13.288 4.172 -6.093 76 2HB HIS 12 1HB HIS 12 14.195 3.013 -5.126 77 HD1 HIS 12 1HD HIS 12 13.710 0.536 -5.523 78 HD2 HIS 12 2HD HIS 12 10.966 3.067 -7.365 79 HE1 HIS 12 1HE HIS 12 12.311 -0.923 -6.986 80 HE2 HIS 12 2HE HIS 12 10.911 0.681 -8.310 81 H THR 13 H THR 13 11.558 5.936 -3.278 82 HA THR 13 HA THR 13 13.952 6.573 -1.739 83 HB THR 13 HB THR 13 13.839 8.905 -2.598 84 HG1 THR 13 1HG THR 13 12.644 8.717 -4.874 85 1HG2 THR 13 1HG2 THR 13 14.291 6.832 -4.761 86 2HG2 THR 13 2HG2 THR 13 15.497 7.381 -3.598 87 3HG2 THR 13 3HG2 THR 13 14.864 8.497 -4.812 88 H VAL 14 H VAL 14 13.441 8.193 -0.100 89 HA VAL 14 HA VAL 14 10.712 8.141 0.719 90 HB VAL 14 HB VAL 14 12.580 8.237 2.389 91 1HG1 VAL 14 1HG1 VAL 14 13.696 10.349 2.892 92 2HG1 VAL 14 2HG1 VAL 14 12.958 11.064 1.461 93 3HG1 VAL 14 3HG1 VAL 14 14.095 9.724 1.295 94 1HG2 VAL 14 1HG2 VAL 14 10.364 8.873 3.128 95 2HG2 VAL 14 2HG2 VAL 14 10.629 10.530 2.595 96 3HG2 VAL 14 3HG2 VAL 14 11.572 9.873 3.936 97 H GLU 15 H GLU 15 12.691 10.076 -1.218 98 HA GLU 15 HA GLU 15 11.565 12.601 -1.344 99 1HB GLU 15 2HB GLU 15 13.627 11.861 -2.443 100 2HB GLU 15 1HB GLU 15 12.698 10.852 -3.525 101 1HG GLU 15 2HG GLU 15 11.707 12.840 -4.529 102 2HG GLU 15 1HG GLU 15 12.635 13.858 -3.421 103 H THR 16 H THR 16 10.771 9.745 -3.354 104 HA THR 16 HA THR 16 8.490 10.974 -4.533 105 HB THR 16 HB THR 16 9.213 8.024 -4.407 106 HG1 THR 16 1HG THR 16 9.962 10.151 -6.114 107 1HG2 THR 16 1HG2 THR 16 6.893 8.452 -5.131 108 2HG2 THR 16 2HG2 THR 16 7.878 7.861 -6.469 109 3HG2 THR 16 3HG2 THR 16 7.485 9.579 -6.354 110 H TRP 17 H TRP 17 9.034 8.809 -1.844 111 HA TRP 17 HA TRP 17 6.496 7.932 -1.209 112 1HB TRP 17 2HB TRP 17 8.424 7.033 -0.111 113 2HB TRP 17 1HB TRP 17 8.858 8.629 0.489 114 HD1 TRP 17 HD TRP 17 8.140 9.191 2.849 115 HE1 TRP 17 1HE TRP 17 6.585 8.172 4.580 116 HE3 TRP 17 3HE TRP 17 6.041 5.574 -0.053 117 HZ2 TRP 17 2HZ TRP 17 4.687 6.075 4.712 118 HZ3 TRP 17 3HZ TRP 17 4.360 4.108 0.951 119 HH2 TRP 17 HH TRP 17 3.696 4.358 3.298 120 H ASN 18 H ASN 18 8.125 10.800 0.144 121 HA ASN 18 HA ASN 18 5.949 11.717 1.684 122 1HB ASN 18 2HB ASN 18 8.291 12.453 2.005 123 2HB ASN 18 1HB ASN 18 8.215 13.319 0.483 124 1HD2 ASN 18 1HD2 ASN 18 8.631 15.286 1.449 125 2HD2 ASN 18 2HD2 ASN 18 7.470 16.128 2.404 126 H GLU 19 H GLU 19 6.985 12.355 -1.548 127 HA GLU 19 HA GLU 19 5.285 14.499 -2.145 128 1HB GLU 19 2HB GLU 19 7.264 13.995 -3.445 129 2HB GLU 19 1HB GLU 19 6.570 12.466 -3.950 130 1HG GLU 19 2HG GLU 19 4.909 13.577 -5.243 131 2HG GLU 19 1HG GLU 19 5.398 15.149 -4.612 132 H GLN 20 H GLN 20 4.818 10.952 -2.651 133 HA GLN 20 HA GLN 20 2.438 11.173 -3.994 134 1HB GLN 20 2HB GLN 20 3.678 9.092 -2.336 135 2HB GLN 20 1HB GLN 20 2.203 8.823 -3.247 136 1HG GLN 20 2HG GLN 20 4.895 9.574 -4.398 137 2HG GLN 20 1HG GLN 20 4.212 7.954 -4.411 138 1HE2 GLN 20 1HE2 GLN 20 4.315 7.869 -6.639 139 2HE2 GLN 20 2HE2 GLN 20 3.238 8.748 -7.663 140 H LEU 21 H LEU 21 3.170 10.890 -0.477 141 HA LEU 21 HA LEU 21 0.541 10.630 0.317 142 1HB LEU 21 2HB LEU 21 3.032 11.587 1.533 143 2HB LEU 21 1HB LEU 21 1.568 11.377 2.452 144 HG LEU 21 HG LEU 21 3.219 9.221 1.096 145 1HD1 LEU 21 1HD1 LEU 21 2.694 9.773 4.010 146 2HD1 LEU 21 2HD1 LEU 21 4.209 10.052 3.150 147 3HD1 LEU 21 3HD1 LEU 21 3.608 8.409 3.366 148 1HD2 LEU 21 1HD2 LEU 21 0.843 8.652 0.949 149 2HD2 LEU 21 2HD2 LEU 21 0.659 8.945 2.677 150 3HD2 LEU 21 3HD2 LEU 21 1.660 7.608 2.114 151 H GLN 22 H GLN 22 2.721 13.375 0.043 152 HA GLN 22 HA GLN 22 1.024 15.339 1.013 153 1HB GLN 22 2HB GLN 22 3.411 15.707 0.551 154 2HB GLN 22 1HB GLN 22 3.097 15.586 -1.172 155 1HG GLN 22 2HG GLN 22 1.724 17.599 -1.072 156 2HG GLN 22 1HG GLN 22 2.013 17.722 0.664 157 1HE2 GLN 22 1HE2 GLN 22 3.000 19.714 0.489 158 2HE2 GLN 22 2HE2 GLN 22 4.575 19.912 -0.181 159 H LYS 23 H LYS 23 1.358 13.985 -2.227 160 HA LYS 23 HA LYS 23 -0.502 15.727 -3.426 161 1HB LYS 23 2HB LYS 23 1.238 14.435 -4.678 162 2HB LYS 23 1HB LYS 23 0.311 12.973 -4.372 163 1HG LYS 23 2HG LYS 23 -0.144 13.781 -6.607 164 2HG LYS 23 1HG LYS 23 -1.591 13.947 -5.604 165 1HD LYS 23 2HD LYS 23 -1.063 16.315 -5.228 166 2HD LYS 23 1HD LYS 23 0.384 16.140 -6.222 167 1HE LYS 23 2HE LYS 23 -1.061 15.578 -8.135 168 2HE LYS 23 1HE LYS 23 -2.479 15.818 -7.110 169 1HZ LYS 23 1HZ LYS 23 -0.455 17.861 -7.806 170 2HZ LYS 23 2HZ LYS 23 -1.696 18.118 -6.725 171 3HZ LYS 23 3HZ LYS 23 -2.045 17.843 -8.361 172 H ALA 24 H ALA 24 -0.770 12.484 -1.950 173 HA ALA 24 HA ALA 24 -3.439 12.005 -2.687 174 1HB ALA 24 1HB ALA 24 -1.943 10.246 -1.838 175 2HB ALA 24 2HB ALA 24 -3.433 10.333 -0.897 176 3HB ALA 24 3HB ALA 24 -1.945 11.023 -0.254 177 H ASN 25 H ASN 25 -1.991 13.583 0.071 178 HA ASN 25 HA ASN 25 -4.271 14.099 1.646 179 1HB ASN 25 2HB ASN 25 -1.812 14.454 2.214 180 2HB ASN 25 1HB ASN 25 -1.916 15.904 1.277 181 1HD2 ASN 25 1HD2 ASN 25 -1.502 17.246 3.028 182 2HD2 ASN 25 2HD2 ASN 25 -2.674 17.563 4.240 183 H GLU 26 H GLU 26 -2.577 15.981 -0.663 184 HA GLU 26 HA GLU 26 -4.125 18.331 -0.749 185 1HB GLU 26 2HB GLU 26 -1.895 18.117 -1.757 186 2HB GLU 26 1HB GLU 26 -2.552 17.041 -2.971 187 1HG GLU 26 2HG GLU 26 -3.948 18.863 -3.824 188 2HG GLU 26 1HG GLU 26 -3.251 19.940 -2.612 189 H SER 27 H SER 27 -4.400 15.345 -2.594 190 HA SER 27 HA SER 27 -6.600 16.349 -4.139 191 1HB SER 27 2HB SER 27 -5.359 13.624 -4.019 192 2HB SER 27 1HB SER 27 -6.455 14.230 -5.264 193 HG SER 27 HG SER 27 -3.787 14.884 -4.741 194 H LYS 28 H LYS 28 -6.319 15.182 -1.053 195 HA LYS 28 HA LYS 28 -7.616 14.201 0.465 196 1HB LYS 28 2HB LYS 28 -9.690 15.239 -1.361 197 2HB LYS 28 1HB LYS 28 -10.128 14.546 0.199 198 1HG LYS 28 2HG LYS 28 -8.629 16.261 1.249 199 2HG LYS 28 1HG LYS 28 -8.459 17.004 -0.340 200 1HD LYS 28 2HD LYS 28 -10.877 17.382 -0.413 201 2HD LYS 28 1HD LYS 28 -11.050 16.605 1.163 202 1HE LYS 28 2HE LYS 28 -9.579 18.327 2.145 203 2HE LYS 28 1HE LYS 28 -9.490 19.110 0.572 204 1HZ LYS 28 1HZ LYS 28 -11.933 18.739 2.197 205 2HZ LYS 28 2HZ LYS 28 -11.891 19.441 0.669 206 3HZ LYS 28 3HZ LYS 28 -11.100 20.186 1.957 207 H THR 29 H THR 29 -6.653 12.549 -1.601 208 HA THR 29 HA THR 29 -8.811 10.640 -2.099 209 HB THR 29 HB THR 29 -6.088 10.584 -3.314 210 HG1 THR 29 1HG THR 29 -8.072 12.429 -3.646 211 1HG2 THR 29 1HG2 THR 29 -8.782 9.593 -4.247 212 2HG2 THR 29 2HG2 THR 29 -7.480 8.606 -3.580 213 3HG2 THR 29 3HG2 THR 29 -7.268 9.413 -5.134 214 H LEU 30 H LEU 30 -8.500 8.534 -1.597 215 HA LEU 30 HA LEU 30 -6.931 8.127 0.718 216 1HB LEU 30 2HB LEU 30 -9.232 7.215 0.577 217 2HB LEU 30 1HB LEU 30 -8.790 6.250 -0.799 218 HG LEU 30 HG LEU 30 -7.706 5.726 1.993 219 1HD1 LEU 30 1HD1 LEU 30 -10.141 5.547 2.003 220 2HD1 LEU 30 2HD1 LEU 30 -9.391 3.957 2.128 221 3HD1 LEU 30 3HD1 LEU 30 -10.077 4.492 0.593 222 1HD2 LEU 30 1HD2 LEU 30 -6.427 4.710 0.146 223 2HD2 LEU 30 2HD2 LEU 30 -7.908 3.955 -0.451 224 3HD2 LEU 30 3HD2 LEU 30 -7.254 3.493 1.121 225 H VAL 31 H VAL 31 -5.149 6.684 0.921 226 HA VAL 31 HA VAL 31 -3.984 5.724 -1.554 227 HB VAL 31 HB VAL 31 -2.930 7.868 -0.930 228 1HG1 VAL 31 1HG1 VAL 31 -2.176 6.523 1.638 229 2HG1 VAL 31 2HG1 VAL 31 -3.314 7.860 1.455 230 3HG1 VAL 31 3HG1 VAL 31 -1.599 8.100 1.105 231 1HG2 VAL 31 1HG2 VAL 31 -1.546 6.222 -2.036 232 2HG2 VAL 31 2HG2 VAL 31 -1.123 5.505 -0.483 233 3HG2 VAL 31 3HG2 VAL 31 -0.587 7.140 -0.875 234 H VAL 32 H VAL 32 -2.765 3.819 -1.294 235 HA VAL 32 HA VAL 32 -2.912 2.595 1.353 236 HB VAL 32 HB VAL 32 -4.736 1.771 -0.162 237 1HG1 VAL 32 1HG1 VAL 32 -4.283 0.302 -1.949 238 2HG1 VAL 32 2HG1 VAL 32 -2.575 0.730 -1.833 239 3HG1 VAL 32 3HG1 VAL 32 -3.774 1.967 -2.217 240 1HG2 VAL 32 1HG2 VAL 32 -2.711 -0.317 0.635 241 2HG2 VAL 32 2HG2 VAL 32 -4.406 -0.625 0.261 242 3HG2 VAL 32 3HG2 VAL 32 -3.976 0.342 1.671 243 H VAL 33 H VAL 33 -1.115 1.513 1.963 244 HA VAL 33 HA VAL 33 1.042 1.440 -0.034 245 HB VAL 33 HB VAL 33 1.330 2.119 2.892 246 1HG1 VAL 33 1HG1 VAL 33 3.250 0.899 2.036 247 2HG1 VAL 33 2HG1 VAL 33 3.674 2.579 2.348 248 3HG1 VAL 33 3HG1 VAL 33 3.393 2.030 0.692 249 1HG2 VAL 33 1HG2 VAL 33 1.634 3.865 0.443 250 2HG2 VAL 33 2HG2 VAL 33 1.937 4.369 2.107 251 3HG2 VAL 33 3HG2 VAL 33 0.308 3.934 1.598 252 H ASP 34 H ASP 34 2.152 -0.348 -0.232 253 HA ASP 34 HA ASP 34 1.795 -2.580 1.642 254 1HB ASP 34 2HB ASP 34 1.190 -3.314 -0.511 255 2HB ASP 34 1HB ASP 34 2.486 -2.403 -1.278 256 H PHE 35 H PHE 35 3.491 -2.978 3.003 257 HA PHE 35 HA PHE 35 6.173 -2.244 2.103 258 1HB PHE 35 2HB PHE 35 5.201 -2.957 4.880 259 2HB PHE 35 1HB PHE 35 6.773 -2.419 4.391 260 HD1 PHE 35 1HD PHE 35 7.253 -0.082 3.948 261 HD2 PHE 35 2HD PHE 35 3.347 -1.343 5.075 262 HE1 PHE 35 1HE PHE 35 6.641 2.254 4.436 263 HE2 PHE 35 2HE PHE 35 2.729 0.985 5.561 264 HZ PHE 35 HZ PHE 35 4.373 2.787 5.244 265 H THR 36 H THR 36 7.183 -4.052 1.317 266 HA THR 36 HA THR 36 6.926 -6.511 2.797 267 HB THR 36 HB THR 36 4.992 -6.545 1.157 268 HG1 THR 36 1HG THR 36 5.467 -8.563 0.336 269 1HG2 THR 36 1HG2 THR 36 7.198 -6.683 -0.885 270 2HG2 THR 36 2HG2 THR 36 6.097 -5.331 -0.635 271 3HG2 THR 36 3HG2 THR 36 5.471 -6.887 -1.203 272 H ALA 37 H ALA 37 8.219 -8.252 1.455 273 HA ALA 37 HA ALA 37 10.649 -7.067 0.326 274 1HB ALA 37 1HB ALA 37 12.039 -8.558 1.690 275 2HB ALA 37 2HB ALA 37 10.596 -9.150 2.512 276 3HB ALA 37 3HB ALA 37 11.096 -7.468 2.707 277 H SER 38 H SER 38 11.487 -8.259 -1.322 278 HA SER 38 HA SER 38 9.799 -10.203 -2.523 279 1HB SER 38 2HB SER 38 11.087 -8.575 -3.840 280 2HB SER 38 1HB SER 38 12.590 -9.308 -3.291 281 HG SER 38 HG SER 38 11.261 -11.287 -4.241 282 H TRP 39 H TRP 39 12.424 -10.418 -0.334 283 HA TRP 39 HA TRP 39 13.051 -13.135 -1.067 284 1HB TRP 39 2HB TRP 39 14.699 -13.022 0.862 285 2HB TRP 39 1HB TRP 39 14.935 -11.838 -0.405 286 HD1 TRP 39 HD TRP 39 14.947 -9.422 0.253 287 HE1 TRP 39 1HE TRP 39 14.691 -8.107 2.481 288 HE3 TRP 39 3HE TRP 39 13.307 -13.209 3.231 289 HZ2 TRP 39 2HZ TRP 39 13.889 -8.635 5.119 290 HZ3 TRP 39 3HZ TRP 39 12.814 -12.735 5.590 291 HH2 TRP 39 HH TRP 39 13.096 -10.496 6.513 292 H CYS 40 H CYS 40 10.659 -11.785 0.645 293 HA CYS 40 HA CYS 40 10.458 -13.988 2.525 294 1HB CYS 40 2HB CYS 40 10.075 -11.893 3.559 295 2HB CYS 40 1HB CYS 40 8.984 -11.354 2.296 296 H GLY 41 H GLY 41 9.189 -15.649 2.105 297 1HA GLY 41 2HA GLY 41 8.155 -16.159 -0.429 298 2HA GLY 41 1HA GLY 41 7.758 -17.075 1.012 299 HA PRO 42 HA PRO 42 3.521 -15.750 1.002 300 1HB PRO 42 2HB PRO 42 3.892 -14.361 3.607 301 2HB PRO 42 1HB PRO 42 2.727 -15.610 3.166 302 1HG PRO 42 2HG PRO 42 4.810 -16.207 4.699 303 2HG PRO 42 1HG PRO 42 4.269 -17.330 3.442 304 1HD PRO 42 2HD PRO 42 6.609 -15.474 3.439 305 2HD PRO 42 1HD PRO 42 6.469 -17.122 2.792 306 H CYS 43 H CYS 43 5.862 -13.405 1.959 307 HA CYS 43 HA CYS 43 4.324 -11.054 1.647 308 1HB CYS 43 2HB CYS 43 7.287 -11.454 1.440 309 2HB CYS 43 1HB CYS 43 6.475 -9.929 1.767 310 H ARG 44 H ARG 44 6.467 -12.891 -0.488 311 HA ARG 44 HA ARG 44 6.340 -11.018 -2.651 312 1HB ARG 44 2HB ARG 44 8.269 -12.495 -2.212 313 2HB ARG 44 1HB ARG 44 7.255 -13.890 -2.503 314 1HG ARG 44 2HG ARG 44 6.995 -13.219 -4.835 315 2HG ARG 44 1HG ARG 44 8.005 -11.798 -4.533 316 1HD ARG 44 2HD ARG 44 9.848 -13.254 -3.850 317 2HD ARG 44 1HD ARG 44 8.850 -14.667 -4.164 318 HE ARG 44 HE ARG 44 8.951 -13.119 -6.469 319 1HH1 ARG 44 1HH1 ARG 44 11.132 -15.085 -4.444 320 2HH1 ARG 44 2HH1 ARG 44 12.130 -15.559 -5.729 321 1HH2 ARG 44 1HH2 ARG 44 10.404 -13.805 -8.259 322 2HH2 ARG 44 2HH2 ARG 44 11.724 -14.835 -7.895 323 H PHE 45 H PHE 45 4.815 -14.014 -1.716 324 HA PHE 45 HA PHE 45 3.401 -14.549 -4.093 325 1HB PHE 45 2HB PHE 45 3.883 -16.239 -2.388 326 2HB PHE 45 1HB PHE 45 2.847 -15.402 -1.248 327 HD1 PHE 45 1HD PHE 45 2.831 -17.176 -4.500 328 HD2 PHE 45 2HD PHE 45 0.542 -15.954 -1.104 329 HE1 PHE 45 1HE PHE 45 0.947 -18.570 -5.256 330 HE2 PHE 45 2HE PHE 45 -1.326 -17.339 -1.868 331 HZ PHE 45 HZ PHE 45 -1.125 -18.650 -3.942 332 H ILE 46 H ILE 46 2.710 -12.395 -1.449 333 HA ILE 46 HA ILE 46 -0.117 -12.234 -2.101 334 HB ILE 46 HB ILE 46 0.761 -12.134 0.278 335 1HG1 ILE 46 2HG1 ILE 46 -0.729 -10.232 0.997 336 2HG1 ILE 46 1HG1 ILE 46 -0.961 -9.867 -0.710 337 1HG2 ILE 46 1HG2 ILE 46 2.677 -10.743 -0.001 338 2HG2 ILE 46 2HG2 ILE 46 1.542 -9.953 1.110 339 3HG2 ILE 46 3HG2 ILE 46 1.673 -9.408 -0.560 340 1HD1 ILE 46 1HD1 ILE 46 -1.919 -12.084 -1.052 341 2HD1 ILE 46 2HD1 ILE 46 -2.787 -11.188 0.211 342 3HD1 ILE 46 3HD1 ILE 46 -1.614 -12.438 0.651 343 H ALA 47 H ALA 47 2.803 -10.612 -2.901 344 HA ALA 47 HA ALA 47 1.960 -8.001 -3.246 345 1HB ALA 47 1HB ALA 47 3.990 -7.608 -4.459 346 2HB ALA 47 2HB ALA 47 4.191 -9.327 -4.779 347 3HB ALA 47 3HB ALA 47 4.320 -8.716 -3.132 348 HA PRO 48 HA PRO 48 1.184 -8.915 -8.056 349 1HB PRO 48 2HB PRO 48 0.028 -11.641 -7.721 350 2HB PRO 48 1HB PRO 48 0.981 -10.985 -9.057 351 1HG PRO 48 2HG PRO 48 2.110 -12.653 -7.356 352 2HG PRO 48 1HG PRO 48 2.994 -11.218 -7.903 353 1HD PRO 48 2HD PRO 48 1.572 -11.689 -5.311 354 2HD PRO 48 1HD PRO 48 3.148 -10.925 -5.606 355 H PHE 49 H PHE 49 -0.726 -10.160 -5.417 356 HA PHE 49 HA PHE 49 -3.288 -9.711 -6.557 357 1HB PHE 49 2HB PHE 49 -3.077 -11.297 -4.751 358 2HB PHE 49 1HB PHE 49 -2.382 -10.076 -3.695 359 HD1 PHE 49 1HD PHE 49 -3.752 -9.061 -2.150 360 HD2 PHE 49 2HD PHE 49 -5.486 -10.755 -5.641 361 HE1 PHE 49 1HE PHE 49 -5.996 -8.540 -1.282 362 HE2 PHE 49 2HE PHE 49 -7.731 -10.234 -4.778 363 HZ PHE 49 HZ PHE 49 -7.983 -9.130 -2.600 364 H PHE 50 H PHE 50 -1.134 -7.795 -4.560 365 HA PHE 50 HA PHE 50 -2.956 -5.645 -4.065 366 1HB PHE 50 2HB PHE 50 -0.909 -6.163 -2.692 367 2HB PHE 50 1HB PHE 50 0.079 -5.649 -4.045 368 HD1 PHE 50 1HD PHE 50 0.616 -3.370 -4.336 369 HD2 PHE 50 2HD PHE 50 -2.410 -4.498 -1.565 370 HE1 PHE 50 1HE PHE 50 0.578 -1.077 -3.434 371 HE2 PHE 50 2HE PHE 50 -2.452 -2.216 -0.671 372 HZ PHE 50 HZ PHE 50 -0.952 -0.500 -1.606 373 H ALA 51 H ALA 51 -0.667 -6.385 -6.579 374 HA ALA 51 HA ALA 51 -0.833 -3.896 -7.933 375 1HB ALA 51 1HB ALA 51 -0.187 -6.626 -9.071 376 2HB ALA 51 2HB ALA 51 0.975 -5.507 -8.362 377 3HB ALA 51 3HB ALA 51 0.136 -5.078 -9.853 378 H ASP 52 H ASP 52 -2.823 -6.753 -7.916 379 HA ASP 52 HA ASP 52 -4.461 -6.094 -10.221 380 1HB ASP 52 2HB ASP 52 -4.196 -8.395 -9.278 381 2HB ASP 52 1HB ASP 52 -5.060 -7.862 -7.875 382 H LEU 53 H LEU 53 -4.758 -5.850 -6.789 383 HA LEU 53 HA LEU 53 -7.219 -4.720 -6.515 384 1HB LEU 53 2HB LEU 53 -4.653 -4.298 -5.069 385 2HB LEU 53 1HB LEU 53 -6.120 -3.600 -4.497 386 HG LEU 53 HG LEU 53 -5.448 -6.500 -4.717 387 1HD1 LEU 53 1HD1 LEU 53 -5.667 -6.444 -2.279 388 2HD1 LEU 53 2HD1 LEU 53 -6.027 -4.724 -2.353 389 3HD1 LEU 53 3HD1 LEU 53 -4.436 -5.304 -2.817 390 1HD2 LEU 53 1HD2 LEU 53 -7.644 -6.919 -3.669 391 2HD2 LEU 53 2HD2 LEU 53 -7.795 -6.236 -5.277 392 3HD2 LEU 53 3HD2 LEU 53 -8.047 -5.212 -3.860 393 H ALA 54 H ALA 54 -4.199 -3.199 -7.435 394 HA ALA 54 HA ALA 54 -4.955 -0.515 -7.297 395 1HB ALA 54 1HB ALA 54 -3.084 -0.074 -8.795 396 2HB ALA 54 2HB ALA 54 -2.996 -1.785 -9.206 397 3HB ALA 54 3HB ALA 54 -2.640 -1.254 -7.562 398 H LYS 55 H LYS 55 -5.538 -2.922 -9.760 399 HA LYS 55 HA LYS 55 -6.540 -1.022 -11.705 400 1HB LYS 55 2HB LYS 55 -5.418 -3.084 -12.383 401 2HB LYS 55 1HB LYS 55 -6.634 -4.039 -11.553 402 1HG LYS 55 2HG LYS 55 -8.322 -3.179 -13.136 403 2HG LYS 55 1HG LYS 55 -7.041 -2.311 -13.987 404 1HD LYS 55 2HD LYS 55 -5.878 -4.424 -14.387 405 2HD LYS 55 1HD LYS 55 -7.167 -5.292 -13.556 406 1HE LYS 55 2HE LYS 55 -8.760 -4.479 -15.239 407 2HE LYS 55 1HE LYS 55 -7.435 -3.660 -16.066 408 1HZ LYS 55 1HZ LYS 55 -7.893 -5.778 -17.099 409 2HZ LYS 55 2HZ LYS 55 -7.669 -6.602 -15.669 410 3HZ LYS 55 3HZ LYS 55 -6.369 -5.815 -16.400 411 H LYS 56 H LYS 56 -7.783 -2.999 -9.171 412 HA LYS 56 HA LYS 56 -10.491 -2.956 -10.081 413 1HB LYS 56 2HB LYS 56 -9.529 -4.796 -8.720 414 2HB LYS 56 1HB LYS 56 -9.390 -3.691 -7.368 415 1HG LYS 56 2HG LYS 56 -11.783 -3.475 -7.237 416 2HG LYS 56 1HG LYS 56 -11.987 -4.471 -8.680 417 1HD LYS 56 2HD LYS 56 -10.892 -6.345 -7.492 418 2HD LYS 56 1HD LYS 56 -10.799 -5.339 -6.048 419 1HE LYS 56 2HE LYS 56 -13.344 -6.162 -7.455 420 2HE LYS 56 1HE LYS 56 -12.704 -6.893 -5.988 421 1HZ LYS 56 1HZ LYS 56 -12.939 -4.739 -4.890 422 2HZ LYS 56 2HZ LYS 56 -14.386 -5.348 -5.428 423 3HZ LYS 56 3HZ LYS 56 -13.670 -4.086 -6.275 424 H LEU 57 H LEU 57 -8.522 -0.961 -7.914 425 HA LEU 57 HA LEU 57 -10.846 0.716 -7.507 426 1HB LEU 57 2HB LEU 57 -8.513 0.201 -5.715 427 2HB LEU 57 1HB LEU 57 -9.727 1.431 -5.448 428 HG LEU 57 HG LEU 57 -10.329 -1.473 -5.694 429 1HD1 LEU 57 1HD1 LEU 57 -10.014 0.227 -3.179 430 2HD1 LEU 57 2HD1 LEU 57 -8.931 -1.077 -3.673 431 3HD1 LEU 57 3HD1 LEU 57 -10.583 -1.438 -3.186 432 1HD2 LEU 57 1HD2 LEU 57 -12.223 -0.076 -6.162 433 2HD2 LEU 57 2HD2 LEU 57 -11.971 0.827 -4.666 434 3HD2 LEU 57 3HD2 LEU 57 -12.459 -0.864 -4.602 435 HA PRO 58 HA PRO 58 -7.855 3.196 -10.067 436 1HB PRO 58 2HB PRO 58 -9.849 4.646 -11.247 437 2HB PRO 58 1HB PRO 58 -9.274 3.095 -11.866 438 1HG PRO 58 2HG PRO 58 -11.645 3.662 -10.119 439 2HG PRO 58 1HG PRO 58 -11.552 2.631 -11.564 440 1HD PRO 58 2HD PRO 58 -11.458 1.489 -9.120 441 2HD PRO 58 1HD PRO 58 -10.399 0.953 -10.433 442 H ASN 59 H ASN 59 -10.335 4.020 -7.770 443 HA ASN 59 HA ASN 59 -9.561 6.847 -7.742 444 1HB ASN 59 2HB ASN 59 -11.991 6.123 -7.549 445 2HB ASN 59 1HB ASN 59 -11.572 5.469 -5.971 446 1HD2 ASN 59 1HD2 ASN 59 -12.975 6.843 -4.857 447 2HD2 ASN 59 2HD2 ASN 59 -12.650 8.532 -4.679 448 H VAL 60 H VAL 60 -8.091 4.264 -6.604 449 HA VAL 60 HA VAL 60 -7.322 5.555 -4.089 450 HB VAL 60 HB VAL 60 -7.444 2.574 -4.676 451 1HG1 VAL 60 1HG1 VAL 60 -6.765 2.263 -2.331 452 2HG1 VAL 60 2HG1 VAL 60 -6.555 4.011 -2.175 453 3HG1 VAL 60 3HG1 VAL 60 -5.529 3.097 -3.274 454 1HG2 VAL 60 1HG2 VAL 60 -9.128 2.499 -2.897 455 2HG2 VAL 60 2HG2 VAL 60 -9.637 3.528 -4.239 456 3HG2 VAL 60 3HG2 VAL 60 -9.041 4.256 -2.748 457 H LEU 61 H LEU 61 -5.134 5.938 -3.835 458 HA LEU 61 HA LEU 61 -3.452 5.193 -6.037 459 1HB LEU 61 2HB LEU 61 -3.110 6.980 -3.649 460 2HB LEU 61 1HB LEU 61 -1.778 6.554 -4.685 461 HG LEU 61 HG LEU 61 -2.994 7.681 -6.583 462 1HD1 LEU 61 1HD1 LEU 61 -5.260 7.536 -5.742 463 2HD1 LEU 61 2HD1 LEU 61 -4.812 9.207 -6.088 464 3HD1 LEU 61 3HD1 LEU 61 -4.856 8.632 -4.422 465 1HD2 LEU 61 1HD2 LEU 61 -2.515 9.964 -5.840 466 2HD2 LEU 61 2HD2 LEU 61 -1.237 8.839 -5.386 467 3HD2 LEU 61 3HD2 LEU 61 -2.399 9.389 -4.178 468 H PHE 62 H PHE 62 -2.464 3.321 -5.937 469 HA PHE 62 HA PHE 62 -1.945 2.116 -3.353 470 1HB PHE 62 2HB PHE 62 -1.630 0.995 -6.138 471 2HB PHE 62 1HB PHE 62 -1.287 0.115 -4.684 472 HD1 PHE 62 1HD PHE 62 -2.863 -1.297 -3.825 473 HD2 PHE 62 2HD PHE 62 -4.172 2.012 -6.151 474 HE1 PHE 62 1HE PHE 62 -5.176 -2.046 -3.573 475 HE2 PHE 62 2HE PHE 62 -6.499 1.258 -5.910 476 HZ PHE 62 HZ PHE 62 -7.001 -0.775 -4.609 477 H LEU 63 H LEU 63 0.115 1.757 -2.724 478 HA LEU 63 HA LEU 63 2.362 2.552 -4.414 479 1HB LEU 63 2HB LEU 63 1.728 3.533 -1.662 480 2HB LEU 63 1HB LEU 63 3.333 3.643 -2.359 481 HG LEU 63 HG LEU 63 0.993 4.741 -3.822 482 1HD1 LEU 63 1HD1 LEU 63 2.767 6.168 -1.753 483 2HD1 LEU 63 2HD1 LEU 63 1.079 5.752 -1.480 484 3HD1 LEU 63 3HD1 LEU 63 1.502 6.946 -2.708 485 1HD2 LEU 63 1HD2 LEU 63 3.889 5.511 -3.716 486 2HD2 LEU 63 2HD2 LEU 63 2.668 6.186 -4.804 487 3HD2 LEU 63 3HD2 LEU 63 3.128 4.480 -4.913 488 H LYS 64 H LYS 64 4.211 1.500 -4.057 489 HA LYS 64 HA LYS 64 4.016 -0.833 -2.261 490 1HB LYS 64 2HB LYS 64 3.762 -1.170 -4.817 491 2HB LYS 64 1HB LYS 64 5.451 -0.724 -4.924 492 1HG LYS 64 2HG LYS 64 4.352 -3.079 -3.394 493 2HG LYS 64 1HG LYS 64 5.073 -3.149 -4.995 494 1HD LYS 64 2HD LYS 64 7.180 -2.381 -4.085 495 2HD LYS 64 1HD LYS 64 6.449 -2.221 -2.491 496 1HE LYS 64 2HE LYS 64 5.954 -4.581 -2.487 497 2HE LYS 64 1HE LYS 64 6.732 -4.763 -4.059 498 1HZ LYS 64 1HZ LYS 64 8.247 -5.364 -2.301 499 2HZ LYS 64 2HZ LYS 64 8.046 -3.847 -1.563 500 3HZ LYS 64 3HZ LYS 64 8.785 -3.974 -3.083 501 H VAL 65 H VAL 65 5.630 -0.957 -0.833 502 HA VAL 65 HA VAL 65 8.076 0.585 -1.312 503 HB VAL 65 HB VAL 65 6.687 0.002 1.330 504 1HG1 VAL 65 1HG1 VAL 65 8.436 1.386 2.367 505 2HG1 VAL 65 2HG1 VAL 65 9.264 1.487 0.813 506 3HG1 VAL 65 3HG1 VAL 65 9.100 -0.067 1.621 507 1HG2 VAL 65 1HG2 VAL 65 5.604 1.774 0.063 508 2HG2 VAL 65 2HG2 VAL 65 7.150 2.600 -0.123 509 3HG2 VAL 65 3HG2 VAL 65 6.426 2.433 1.479 510 H ASP 66 H ASP 66 9.957 -0.505 -1.093 511 HA ASP 66 HA ASP 66 9.784 -3.306 -0.282 512 1HB ASP 66 2HB ASP 66 10.686 -2.981 -2.527 513 2HB ASP 66 1HB ASP 66 11.885 -1.884 -1.835 514 H THR 67 H THR 67 10.523 -3.795 1.621 515 HA THR 67 HA THR 67 11.752 -1.765 3.183 516 HB THR 67 HB THR 67 10.119 -3.127 4.262 517 HG1 THR 67 1HG THR 67 11.268 -3.742 6.131 518 1HG2 THR 67 1HG2 THR 67 10.441 -5.510 4.742 519 2HG2 THR 67 2HG2 THR 67 11.903 -5.510 3.745 520 3HG2 THR 67 3HG2 THR 67 10.322 -5.180 3.020 521 H ASP 68 H ASP 68 13.127 -4.003 1.130 522 HA ASP 68 HA ASP 68 15.575 -4.238 2.657 523 1HB ASP 68 2HB ASP 68 14.964 -6.009 1.063 524 2HB ASP 68 1HB ASP 68 15.039 -4.846 -0.245 525 H GLU 69 H GLU 69 14.464 -2.565 -0.212 526 HA GLU 69 HA GLU 69 16.717 -0.937 -0.507 527 1HB GLU 69 2HB GLU 69 13.909 -0.856 -1.473 528 2HB GLU 69 1HB GLU 69 15.045 0.406 -1.873 529 1HG GLU 69 2HG GLU 69 16.506 -1.295 -2.933 530 2HG GLU 69 1HG GLU 69 15.331 -2.533 -2.510 531 H LEU 70 H LEU 70 13.411 -0.127 0.773 532 HA LEU 70 HA LEU 70 14.490 2.299 1.867 533 1HB LEU 70 2HB LEU 70 11.760 1.234 1.300 534 2HB LEU 70 1HB LEU 70 11.992 2.596 2.358 535 HG LEU 70 HG LEU 70 13.123 3.772 0.419 536 1HD1 LEU 70 1HD1 LEU 70 12.771 2.978 -1.788 537 2HD1 LEU 70 2HD1 LEU 70 11.997 1.507 -1.185 538 3HD1 LEU 70 3HD1 LEU 70 13.711 1.808 -0.866 539 1HD2 LEU 70 1HD2 LEU 70 11.060 4.358 -0.721 540 2HD2 LEU 70 2HD2 LEU 70 10.801 4.259 1.022 541 3HD2 LEU 70 3HD2 LEU 70 10.259 2.953 -0.033 542 H LYS 71 H LYS 71 15.506 0.311 3.116 543 HA LYS 71 HA LYS 71 14.215 -0.989 5.229 544 1HB LYS 71 2HB LYS 71 16.625 -1.112 4.097 545 2HB LYS 71 1HB LYS 71 17.058 -0.020 5.377 546 1HG LYS 71 2HG LYS 71 15.993 -2.836 5.751 547 2HG LYS 71 1HG LYS 71 17.683 -2.393 5.772 548 1HD LYS 71 2HD LYS 71 17.100 -2.648 8.017 549 2HD LYS 71 1HD LYS 71 17.053 -0.907 7.772 550 1HE LYS 71 2HE LYS 71 14.613 -1.034 7.557 551 2HE LYS 71 1HE LYS 71 14.690 -2.781 7.799 552 1HZ LYS 71 1HZ LYS 71 15.582 -0.742 9.766 553 2HZ LYS 71 2HZ LYS 71 15.625 -2.385 10.010 554 3HZ LYS 71 3HZ LYS 71 14.142 -1.606 9.871 555 H SER 72 H SER 72 15.884 2.148 5.028 556 HA SER 72 HA SER 72 15.650 2.895 7.717 557 1HB SER 72 2HB SER 72 16.056 5.213 6.805 558 2HB SER 72 1HB SER 72 17.253 4.006 6.334 559 HG SER 72 HG SER 72 16.764 4.325 4.396 560 H VAL 73 H VAL 73 13.536 3.513 4.975 561 HA VAL 73 HA VAL 73 11.725 5.182 6.415 562 HB VAL 73 HB VAL 73 11.206 3.625 3.858 563 1HG1 VAL 73 1HG1 VAL 73 9.129 4.328 4.914 564 2HG1 VAL 73 2HG1 VAL 73 9.417 5.259 3.442 565 3HG1 VAL 73 3HG1 VAL 73 9.727 5.984 5.022 566 1HG2 VAL 73 1HG2 VAL 73 12.114 6.475 4.235 567 2HG2 VAL 73 2HG2 VAL 73 11.707 5.730 2.691 568 3HG2 VAL 73 3HG2 VAL 73 13.098 5.153 3.612 569 H ALA 74 H ALA 74 11.815 1.757 5.620 570 HA ALA 74 HA ALA 74 9.321 1.085 6.742 571 1HB ALA 74 1HB ALA 74 11.778 -0.636 6.430 572 2HB ALA 74 2HB ALA 74 10.530 -0.392 5.207 573 3HB ALA 74 3HB ALA 74 10.138 -1.216 6.716 574 H SER 75 H SER 75 12.518 1.485 8.089 575 HA SER 75 HA SER 75 11.856 0.447 10.656 576 1HB SER 75 2HB SER 75 14.179 0.568 9.749 577 2HB SER 75 1HB SER 75 14.089 2.324 9.848 578 HG SER 75 HG SER 75 14.473 2.216 11.905 579 H ASP 76 H ASP 76 11.807 3.595 9.104 580 HA ASP 76 HA ASP 76 11.364 5.176 11.410 581 1HB ASP 76 2HB ASP 76 12.179 6.137 9.300 582 2HB ASP 76 1HB ASP 76 10.677 5.695 8.510 583 H TRP 77 H TRP 77 9.181 3.582 9.156 584 HA TRP 77 HA TRP 77 6.893 4.484 10.623 585 1HB TRP 77 2HB TRP 77 7.211 2.772 8.204 586 2HB TRP 77 1HB TRP 77 5.634 2.965 8.972 587 HD1 TRP 77 HD TRP 77 8.373 5.117 7.268 588 HE1 TRP 77 1HE TRP 77 7.244 7.185 6.249 589 HE3 TRP 77 3HE TRP 77 3.599 4.348 8.930 590 HZ2 TRP 77 2HZ TRP 77 4.670 8.337 6.143 591 HZ3 TRP 77 3HZ TRP 77 1.862 5.982 8.312 592 HH2 TRP 77 HH TRP 77 2.388 7.932 6.953 593 H ALA 78 H ALA 78 9.108 2.238 11.118 594 HA ALA 78 HA ALA 78 9.388 0.417 12.320 595 1HB ALA 78 1HB ALA 78 6.891 1.234 13.799 596 2HB ALA 78 2HB ALA 78 8.487 1.935 14.053 597 3HB ALA 78 3HB ALA 78 8.211 0.233 14.412 598 H ILE 79 H ILE 79 8.892 -0.662 10.307 599 HA ILE 79 HA ILE 79 6.580 -2.475 10.565 600 HB ILE 79 HB ILE 79 8.366 -1.945 8.164 601 1HG1 ILE 79 2HG1 ILE 79 6.963 0.008 8.616 602 2HG1 ILE 79 1HG1 ILE 79 6.417 -0.802 7.158 603 1HG2 ILE 79 1HG2 ILE 79 7.485 -4.207 8.128 604 2HG2 ILE 79 2HG2 ILE 79 6.714 -3.235 6.874 605 3HG2 ILE 79 3HG2 ILE 79 5.847 -3.596 8.365 606 1HD1 ILE 79 1HD1 ILE 79 5.128 -0.975 9.881 607 2HD1 ILE 79 2HD1 ILE 79 4.585 -1.825 8.435 608 3HD1 ILE 79 3HD1 ILE 79 4.533 -0.064 8.488 609 H GLN 80 H GLN 80 7.239 -4.104 11.835 610 HA GLN 80 HA GLN 80 9.927 -5.162 11.556 611 1HB GLN 80 2HB GLN 80 7.735 -5.917 13.483 612 2HB GLN 80 1HB GLN 80 9.369 -6.539 13.501 613 1HG GLN 80 2HG GLN 80 9.224 -4.936 15.223 614 2HG GLN 80 1HG GLN 80 10.133 -4.166 13.925 615 1HE2 GLN 80 1HE2 GLN 80 9.616 -2.114 14.666 616 2HE2 GLN 80 2HE2 GLN 80 8.029 -1.469 14.529 617 H ALA 81 H ALA 81 6.606 -6.034 10.929 618 HA ALA 81 HA ALA 81 7.508 -8.677 10.059 619 1HB ALA 81 1HB ALA 81 5.243 -9.470 10.475 620 2HB ALA 81 2HB ALA 81 4.763 -7.850 10.981 621 3HB ALA 81 3HB ALA 81 5.938 -8.757 11.930 622 H MET 82 H MET 82 7.158 -9.274 8.034 623 HA MET 82 HA MET 82 5.875 -7.325 6.341 624 1HB MET 82 2HB MET 82 7.925 -9.389 5.709 625 2HB MET 82 1HB MET 82 7.082 -8.435 4.500 626 1HG MET 82 2HG MET 82 8.986 -7.284 4.807 627 2HG MET 82 1HG MET 82 7.833 -6.421 5.740 628 1HE MET 82 1HE MET 82 10.834 -8.995 6.057 629 2HE MET 82 2HE MET 82 9.520 -9.825 6.892 630 3HE MET 82 3HE MET 82 10.900 -9.226 7.801 631 HA PRO 83 HA PRO 83 5.068 -7.153 4.554 632 1HB PRO 83 2HB PRO 83 2.976 -7.134 2.904 633 2HB PRO 83 1HB PRO 83 4.409 -8.103 2.538 634 1HG PRO 83 2HG PRO 83 1.744 -8.977 3.510 635 2HG PRO 83 1HG PRO 83 2.912 -9.825 2.487 636 1HD PRO 83 2HD PRO 83 2.515 -10.150 5.279 637 2HD PRO 83 1HD PRO 83 3.792 -10.873 4.282 638 H THR 84 H THR 84 3.964 -5.184 4.914 639 HA THR 84 HA THR 84 1.571 -5.440 6.567 640 HB THR 84 HB THR 84 3.614 -3.316 6.550 641 HG1 THR 84 1HG THR 84 3.995 -5.435 7.764 642 1HG2 THR 84 1HG2 THR 84 2.378 -2.312 8.485 643 2HG2 THR 84 2HG2 THR 84 1.118 -3.522 8.240 644 3HG2 THR 84 3HG2 THR 84 1.439 -2.323 6.990 645 H PHE 85 H PHE 85 -0.228 -4.687 5.646 646 HA PHE 85 HA PHE 85 0.036 -2.878 3.395 647 1HB PHE 85 2HB PHE 85 -2.211 -4.642 4.360 648 2HB PHE 85 1HB PHE 85 -2.288 -3.566 2.979 649 HD1 PHE 85 1HD PHE 85 -0.983 -4.073 0.955 650 HD2 PHE 85 2HD PHE 85 -1.133 -6.754 4.251 651 HE1 PHE 85 1HE PHE 85 -0.134 -5.875 -0.477 652 HE2 PHE 85 2HE PHE 85 -0.280 -8.561 2.824 653 HZ PHE 85 HZ PHE 85 0.219 -8.121 0.456 654 H MET 86 H MET 86 -0.423 -0.857 3.865 655 HA MET 86 HA MET 86 -1.991 -0.372 6.291 656 1HB MET 86 2HB MET 86 0.289 0.420 6.471 657 2HB MET 86 1HB MET 86 0.087 1.362 4.993 658 1HG MET 86 2HG MET 86 -1.573 2.764 6.123 659 2HG MET 86 1HG MET 86 -1.394 1.800 7.579 660 1HE MET 86 1HE MET 86 2.047 4.377 5.876 661 2HE MET 86 2HE MET 86 0.478 4.239 5.085 662 3HE MET 86 3HE MET 86 1.556 2.846 5.159 663 H PHE 87 H PHE 87 -3.916 0.425 6.037 664 HA PHE 87 HA PHE 87 -4.638 1.638 3.543 665 1HB PHE 87 2HB PHE 87 -6.116 0.369 5.820 666 2HB PHE 87 1HB PHE 87 -6.921 1.188 4.512 667 HD1 PHE 87 1HD PHE 87 -7.263 0.065 2.412 668 HD2 PHE 87 2HD PHE 87 -4.778 -1.706 5.382 669 HE1 PHE 87 1HE PHE 87 -7.217 -2.031 1.122 670 HE2 PHE 87 2HE PHE 87 -4.735 -3.805 4.097 671 HZ PHE 87 HZ PHE 87 -5.951 -3.969 1.967 672 H LEU 88 H LEU 88 -4.679 3.762 3.603 673 HA LEU 88 HA LEU 88 -5.477 5.021 6.043 674 1HB LEU 88 2HB LEU 88 -3.651 6.683 5.886 675 2HB LEU 88 1HB LEU 88 -3.075 5.070 6.184 676 HG LEU 88 HG LEU 88 -2.902 6.474 3.507 677 1HD1 LEU 88 1HD1 LEU 88 -1.570 7.601 5.221 678 2HD1 LEU 88 2HD1 LEU 88 -0.529 6.761 4.069 679 3HD1 LEU 88 3HD1 LEU 88 -0.823 6.066 5.662 680 1HD2 LEU 88 1HD2 LEU 88 -1.269 4.735 2.965 681 2HD2 LEU 88 2HD2 LEU 88 -2.829 4.013 3.355 682 3HD2 LEU 88 3HD2 LEU 88 -1.526 3.987 4.539 683 H LYS 89 H LYS 89 -5.987 7.389 5.528 684 HA LYS 89 HA LYS 89 -6.834 7.583 2.741 685 1HB LYS 89 2HB LYS 89 -8.836 6.913 3.940 686 2HB LYS 89 1HB LYS 89 -8.577 8.203 5.116 687 1HG LYS 89 2HG LYS 89 -8.934 9.873 3.394 688 2HG LYS 89 1HG LYS 89 -9.139 8.606 2.187 689 1HD LYS 89 2HD LYS 89 -10.924 9.007 4.590 690 2HD LYS 89 1HD LYS 89 -11.262 9.657 2.990 691 1HE LYS 89 2HE LYS 89 -11.221 7.351 2.099 692 2HE LYS 89 1HE LYS 89 -11.011 6.749 3.744 693 1HZ LYS 89 1HZ LYS 89 -13.338 6.681 3.030 694 2HZ LYS 89 2HZ LYS 89 -13.311 8.337 2.764 695 3HZ LYS 89 3HZ LYS 89 -13.142 7.747 4.327 696 H GLU 90 H GLU 90 -6.324 9.337 1.816 697 HA GLU 90 HA GLU 90 -5.649 11.227 1.352 698 1HB GLU 90 2HB GLU 90 -6.203 12.071 4.174 699 2HB GLU 90 1HB GLU 90 -5.740 13.221 2.939 700 1HG GLU 90 2HG GLU 90 -7.824 12.720 1.743 701 2HG GLU 90 1HG GLU 90 -8.248 11.561 2.992 702 H GLY 91 H GLY 91 -4.138 9.212 3.063 703 1HA GLY 91 2HA GLY 91 -1.821 8.979 3.524 704 2HA GLY 91 1HA GLY 91 -1.678 10.732 3.504 705 H LYS 92 H LYS 92 -4.371 9.815 5.306 706 HA LYS 92 HA LYS 92 -2.948 10.105 7.872 707 1HB LYS 92 2HB LYS 92 -5.912 10.200 7.228 708 2HB LYS 92 1HB LYS 92 -5.165 10.640 8.756 709 1HG LYS 92 2HG LYS 92 -4.150 12.572 7.786 710 2HG LYS 92 1HG LYS 92 -4.644 12.057 6.167 711 1HD LYS 92 2HD LYS 92 -6.997 12.279 6.844 712 2HD LYS 92 1HD LYS 92 -6.473 12.874 8.419 713 1HE LYS 92 2HE LYS 92 -5.441 14.792 7.401 714 2HE LYS 92 1HE LYS 92 -5.769 14.158 5.791 715 1HZ LYS 92 1HZ LYS 92 -8.116 14.371 6.192 716 2HZ LYS 92 2HZ LYS 92 -7.373 15.858 6.416 717 3HZ LYS 92 3HZ LYS 92 -7.861 14.959 7.758 718 H ILE 93 H ILE 93 -2.929 8.333 9.231 719 HA ILE 93 HA ILE 93 -3.390 5.782 8.067 720 HB ILE 93 HB ILE 93 -2.722 6.460 10.950 721 1HG1 ILE 93 2HG1 ILE 93 -0.895 5.724 8.646 722 2HG1 ILE 93 1HG1 ILE 93 -1.070 7.338 9.322 723 1HG2 ILE 93 1HG2 ILE 93 -3.598 4.186 10.716 724 2HG2 ILE 93 2HG2 ILE 93 -1.873 4.154 11.081 725 3HG2 ILE 93 3HG2 ILE 93 -2.428 3.858 9.435 726 1HD1 ILE 93 1HD1 ILE 93 -0.199 6.512 11.463 727 2HD1 ILE 93 2HD1 ILE 93 0.945 6.275 10.148 728 3HD1 ILE 93 3HD1 ILE 93 0.002 4.910 10.755 729 H LEU 94 H LEU 94 -5.074 4.429 8.144 730 HA LEU 94 HA LEU 94 -7.218 5.058 9.998 731 1HB LEU 94 2HB LEU 94 -7.229 3.727 7.328 732 2HB LEU 94 1HB LEU 94 -8.629 3.762 8.356 733 HG LEU 94 HG LEU 94 -7.274 6.095 7.005 734 1HD1 LEU 94 1HD1 LEU 94 -9.455 6.354 5.921 735 2HD1 LEU 94 2HD1 LEU 94 -10.004 4.872 6.706 736 3HD1 LEU 94 3HD1 LEU 94 -8.665 4.829 5.546 737 1HD2 LEU 94 1HD2 LEU 94 -7.973 6.826 9.215 738 2HD2 LEU 94 2HD2 LEU 94 -9.567 6.126 8.964 739 3HD2 LEU 94 3HD2 LEU 94 -9.046 7.503 7.990 740 H ASP 95 H ASP 95 -6.042 2.194 8.176 741 HA ASP 95 HA ASP 95 -5.738 0.721 10.577 742 1HB ASP 95 2HB ASP 95 -7.177 -1.105 9.691 743 2HB ASP 95 1HB ASP 95 -8.041 0.226 10.450 744 H LYS 96 H LYS 96 -4.875 -1.407 10.165 745 HA LYS 96 HA LYS 96 -3.721 -1.704 7.554 746 1HB LYS 96 2HB LYS 96 -1.352 -1.783 8.402 747 2HB LYS 96 1HB LYS 96 -2.091 -0.198 8.381 748 1HG LYS 96 2HG LYS 96 -0.792 -0.363 10.363 749 2HG LYS 96 1HG LYS 96 -2.483 -0.439 10.841 750 1HD LYS 96 2HD LYS 96 -2.290 -2.889 11.029 751 2HD LYS 96 1HD LYS 96 -0.588 -2.775 10.573 752 1HE LYS 96 2HE LYS 96 -1.866 -1.537 13.011 753 2HE LYS 96 1HE LYS 96 -0.857 -2.979 12.985 754 1HZ LYS 96 1HZ LYS 96 0.993 -1.591 12.190 755 2HZ LYS 96 2HZ LYS 96 0.408 -1.127 13.680 756 3HZ LYS 96 3HZ LYS 96 0.026 -0.197 12.338 757 H VAL 97 H VAL 97 -2.541 -3.628 7.201 758 HA VAL 97 HA VAL 97 -3.368 -5.813 9.008 759 HB VAL 97 HB VAL 97 -2.698 -6.003 6.054 760 1HG1 VAL 97 1HG1 VAL 97 -3.909 -8.030 7.925 761 2HG1 VAL 97 2HG1 VAL 97 -2.281 -8.064 7.250 762 3HG1 VAL 97 3HG1 VAL 97 -3.677 -8.249 6.190 763 1HG2 VAL 97 1HG2 VAL 97 -5.417 -6.011 7.352 764 2HG2 VAL 97 2HG2 VAL 97 -5.091 -6.329 5.651 765 3HG2 VAL 97 3HG2 VAL 97 -4.753 -4.737 6.333 766 H VAL 98 H VAL 98 -1.661 -6.632 10.051 767 HA VAL 98 HA VAL 98 0.941 -6.314 8.801 768 HB VAL 98 HB VAL 98 0.770 -5.273 10.997 769 1HG1 VAL 98 1HG1 VAL 98 0.466 -6.560 13.064 770 2HG1 VAL 98 2HG1 VAL 98 0.077 -7.984 12.095 771 3HG1 VAL 98 3HG1 VAL 98 -0.965 -6.563 12.033 772 1HG2 VAL 98 1HG2 VAL 98 2.693 -6.340 12.121 773 2HG2 VAL 98 2HG2 VAL 98 2.937 -6.162 10.381 774 3HG2 VAL 98 3HG2 VAL 98 2.510 -7.733 11.057 775 H GLY 99 H GLY 99 1.664 -8.005 7.765 776 1HA GLY 99 2HA GLY 99 2.493 -10.230 7.775 777 2HA GLY 99 1HA GLY 99 1.194 -10.671 8.887 778 H ALA 100 H ALA 100 1.645 -12.117 6.537 779 HA ALA 100 HA ALA 100 -0.323 -11.136 4.625 780 1HB ALA 100 1HB ALA 100 1.451 -13.578 4.518 781 2HB ALA 100 2HB ALA 100 1.796 -12.027 3.760 782 3HB ALA 100 3HB ALA 100 0.418 -12.983 3.220 783 H LYS 101 H LYS 101 -2.325 -11.493 5.215 784 HA LYS 101 HA LYS 101 -3.060 -14.208 5.934 785 1HB LYS 101 2HB LYS 101 -4.313 -11.600 6.694 786 2HB LYS 101 1HB LYS 101 -5.069 -13.159 6.952 787 1HG LYS 101 2HG LYS 101 -4.169 -12.473 9.034 788 2HG LYS 101 1HG LYS 101 -3.038 -13.678 8.434 789 1HD LYS 101 2HD LYS 101 -1.626 -11.966 7.689 790 2HD LYS 101 1HD LYS 101 -2.809 -10.760 8.221 791 1HE LYS 101 2HE LYS 101 -1.355 -12.724 9.988 792 2HE LYS 101 1HE LYS 101 -0.989 -11.002 9.874 793 1HZ LYS 101 1HZ LYS 101 -3.478 -12.239 10.890 794 2HZ LYS 101 2HZ LYS 101 -3.345 -10.614 10.585 795 3HZ LYS 101 3HZ LYS 101 -2.372 -11.332 11.789 796 H LYS 102 H LYS 102 -4.306 -15.067 4.347 797 HA LYS 102 HA LYS 102 -4.865 -13.549 2.071 798 1HB LYS 102 2HB LYS 102 -4.322 -15.943 2.080 799 2HB LYS 102 1HB LYS 102 -5.843 -16.256 2.901 800 1HG LYS 102 2HG LYS 102 -7.074 -15.494 1.010 801 2HG LYS 102 1HG LYS 102 -5.579 -15.036 0.184 802 1HD LYS 102 2HD LYS 102 -4.847 -17.386 0.213 803 2HD LYS 102 1HD LYS 102 -6.353 -17.837 1.011 804 1HE LYS 102 2HE LYS 102 -6.138 -16.576 -1.722 805 2HE LYS 102 1HE LYS 102 -6.374 -18.294 -1.407 806 1HZ LYS 102 1HZ LYS 102 -8.235 -16.133 -0.595 807 2HZ LYS 102 2HZ LYS 102 -8.482 -17.758 -0.339 808 3HZ LYS 102 3HZ LYS 102 -8.460 -17.144 -1.916 809 H ASP 103 H ASP 103 -6.883 -14.964 4.631 810 HA ASP 103 HA ASP 103 -9.352 -13.945 3.610 811 1HB ASP 103 2HB ASP 103 -9.337 -15.987 4.923 812 2HB ASP 103 1HB ASP 103 -8.670 -15.128 6.305 813 H GLU 104 H GLU 104 -7.318 -13.049 6.354 814 HA GLU 104 HA GLU 104 -8.959 -10.967 7.317 815 1HB GLU 104 2HB GLU 104 -7.261 -12.012 8.708 816 2HB GLU 104 1HB GLU 104 -5.991 -11.398 7.672 817 1HG GLU 104 2HG GLU 104 -6.498 -9.129 8.373 818 2HG GLU 104 1HG GLU 104 -7.835 -9.716 9.360 819 H LEU 105 H LEU 105 -6.548 -10.976 4.795 820 HA LEU 105 HA LEU 105 -6.272 -8.181 4.555 821 1HB LEU 105 2HB LEU 105 -4.857 -9.927 3.437 822 2HB LEU 105 1HB LEU 105 -6.192 -10.238 2.386 823 HG LEU 105 HG LEU 105 -6.137 -8.021 1.455 824 1HD1 LEU 105 1HD1 LEU 105 -4.277 -6.474 1.962 825 2HD1 LEU 105 2HD1 LEU 105 -3.744 -7.557 3.246 826 3HD1 LEU 105 3HD1 LEU 105 -5.312 -6.754 3.361 827 1HD2 LEU 105 1HD2 LEU 105 -4.802 -9.751 0.396 828 2HD2 LEU 105 2HD2 LEU 105 -3.432 -9.349 1.435 829 3HD2 LEU 105 3HD2 LEU 105 -4.012 -8.185 0.244 830 H GLN 106 H GLN 106 -8.253 -10.531 2.946 831 HA GLN 106 HA GLN 106 -9.851 -8.866 1.339 832 1HB GLN 106 2HB GLN 106 -10.738 -11.391 2.746 833 2HB GLN 106 1HB GLN 106 -11.617 -10.603 1.454 834 1HG GLN 106 2HG GLN 106 -8.895 -11.857 1.245 835 2HG GLN 106 1HG GLN 106 -10.409 -12.552 0.681 836 1HE2 GLN 106 1HE2 GLN 106 -8.068 -12.000 -0.801 837 2HE2 GLN 106 2HE2 GLN 106 -8.482 -10.879 -2.052 838 H SER 107 H SER 107 -10.276 -9.736 4.719 839 HA SER 107 HA SER 107 -12.781 -8.493 5.076 840 1HB SER 107 2HB SER 107 -10.584 -8.936 7.105 841 2HB SER 107 1HB SER 107 -12.292 -8.664 7.462 842 HG SER 107 HG SER 107 -12.476 -10.709 7.303 843 H THR 108 H THR 108 -9.503 -7.294 5.327 844 HA THR 108 HA THR 108 -10.256 -4.748 6.346 845 HB THR 108 HB THR 108 -7.678 -5.566 4.977 846 HG1 THR 108 1HG THR 108 -8.050 -6.940 6.775 847 1HG2 THR 108 1HG2 THR 108 -8.319 -3.381 6.985 848 2HG2 THR 108 2HG2 THR 108 -7.969 -3.133 5.277 849 3HG2 THR 108 3HG2 THR 108 -6.715 -3.748 6.354 850 H ILE 109 H ILE 109 -9.728 -6.169 3.172 851 HA ILE 109 HA ILE 109 -9.817 -3.718 1.762 852 HB ILE 109 HB ILE 109 -10.415 -6.525 0.771 853 1HG1 ILE 109 2HG1 ILE 109 -7.888 -4.870 0.588 854 2HG1 ILE 109 1HG1 ILE 109 -8.138 -6.214 1.694 855 1HG2 ILE 109 1HG2 ILE 109 -9.977 -5.585 -1.465 856 2HG2 ILE 109 2HG2 ILE 109 -9.811 -3.979 -0.748 857 3HG2 ILE 109 3HG2 ILE 109 -11.366 -4.811 -0.699 858 1HD1 ILE 109 1HD1 ILE 109 -8.352 -7.731 -0.193 859 2HD1 ILE 109 2HD1 ILE 109 -6.817 -6.852 -0.239 860 3HD1 ILE 109 3HD1 ILE 109 -8.139 -6.377 -1.304 861 H ALA 110 H ALA 110 -12.255 -6.170 2.624 862 HA ALA 110 HA ALA 110 -14.451 -4.966 1.317 863 1HB ALA 110 1HB ALA 110 -14.465 -7.291 2.156 864 2HB ALA 110 2HB ALA 110 -15.835 -6.359 2.765 865 3HB ALA 110 3HB ALA 110 -14.452 -6.679 3.807 866 H LYS 111 H LYS 111 -12.940 -4.373 4.334 867 HA LYS 111 HA LYS 111 -14.799 -2.780 5.663 868 1HB LYS 111 2HB LYS 111 -12.565 -3.715 6.406 869 2HB LYS 111 1HB LYS 111 -11.908 -2.404 5.484 870 1HG LYS 111 2HG LYS 111 -12.872 -0.732 6.875 871 2HG LYS 111 1HG LYS 111 -13.748 -1.948 7.804 872 1HD LYS 111 2HD LYS 111 -11.635 -2.897 8.576 873 2HD LYS 111 1HD LYS 111 -10.747 -1.701 7.630 874 1HE LYS 111 2HE LYS 111 -12.661 -1.071 9.877 875 2HE LYS 111 1HE LYS 111 -10.903 -1.103 10.015 876 1HZ LYS 111 1HZ LYS 111 -11.784 1.136 9.706 877 2HZ LYS 111 2HZ LYS 111 -12.409 0.714 8.190 878 3HZ LYS 111 3HZ LYS 111 -10.736 0.690 8.474 879 H HIS 112 H HIS 112 -12.347 -1.992 3.275 880 HA HIS 112 HA HIS 112 -13.240 0.778 3.151 881 1HB HIS 112 2HB HIS 112 -10.838 -0.638 2.047 882 2HB HIS 112 1HB HIS 112 -11.244 1.025 1.687 883 HD1 HIS 112 1HD HIS 112 -10.858 2.771 3.624 884 HD2 HIS 112 2HD HIS 112 -9.778 -1.133 4.577 885 HE1 HIS 112 1HE HIS 112 -9.441 2.945 5.662 886 HE2 HIS 112 2HE HIS 112 -9.019 0.542 6.358 887 H LEU 113 H LEU 113 -14.252 -2.036 1.644 888 HA LEU 113 HA LEU 113 -14.045 -1.271 -1.026 889 1HB LEU 113 2HB LEU 113 -14.070 -3.520 -0.071 890 2HB LEU 113 1HB LEU 113 -15.723 -3.231 0.423 891 HG LEU 113 HG LEU 113 -15.353 -4.690 -1.446 892 1HD1 LEU 113 1HD1 LEU 113 -17.564 -3.644 -1.213 893 2HD1 LEU 113 2HD1 LEU 113 -17.178 -3.774 -2.925 894 3HD1 LEU 113 3HD1 LEU 113 -17.007 -2.222 -2.097 895 1HD2 LEU 113 1HD2 LEU 113 -14.878 -3.752 -3.706 896 2HD2 LEU 113 2HD2 LEU 113 -13.532 -3.647 -2.573 897 3HD2 LEU 113 3HD2 LEU 113 -14.503 -2.219 -2.925 898 H ALA 114 H ALA 114 -15.315 0.075 -2.075 899 HA ALA 114 HA ALA 114 -18.059 0.485 -1.223 900 1HB ALA 114 1HB ALA 114 -17.829 2.913 -1.599 901 2HB ALA 114 2HB ALA 114 -16.105 2.709 -1.892 902 3HB ALA 114 3HB ALA 114 -16.771 2.373 -0.297 Start of MODEL 7 1 H MET 1 H MET 1 -11.019 7.458 -22.144 2 HA MET 1 HA MET 1 -9.375 7.247 -20.623 3 1HB MET 1 2HB MET 1 -11.267 6.881 -19.106 4 2HB MET 1 1HB MET 1 -11.231 5.164 -19.449 5 1HG MET 1 2HG MET 1 -9.022 5.006 -18.394 6 2HG MET 1 1HG MET 1 -9.077 6.731 -18.037 7 1HE MET 1 1HE MET 1 -8.641 6.227 -15.429 8 2HE MET 1 2HE MET 1 -8.552 4.507 -15.815 9 3HE MET 1 3HE MET 1 -9.586 5.064 -14.499 10 H ALA 2 H ALA 2 -7.815 6.528 -22.062 11 HA ALA 2 HA ALA 2 -7.180 3.686 -21.774 12 1HB ALA 2 1HB ALA 2 -6.544 5.453 -24.144 13 2HB ALA 2 2HB ALA 2 -7.813 4.229 -24.079 14 3HB ALA 2 3HB ALA 2 -6.124 3.749 -23.972 15 H SER 3 H SER 3 -5.805 3.729 -20.164 16 HA SER 3 HA SER 3 -3.191 4.813 -20.563 17 1HB SER 3 2HB SER 3 -4.879 5.711 -18.183 18 2HB SER 3 1HB SER 3 -3.175 6.091 -18.441 19 HG SER 3 HG SER 3 -4.515 6.761 -20.607 20 H GLU 4 H GLU 4 -1.864 4.066 -18.384 21 HA GLU 4 HA GLU 4 -2.477 1.357 -18.112 22 1HB GLU 4 2HB GLU 4 -0.537 1.360 -16.571 23 2HB GLU 4 1HB GLU 4 -0.148 1.941 -18.178 24 1HG GLU 4 2HG GLU 4 -0.584 3.683 -15.739 25 2HG GLU 4 1HG GLU 4 0.988 3.139 -16.303 26 H GLU 5 H GLU 5 -3.888 0.541 -16.813 27 HA GLU 5 HA GLU 5 -4.579 1.974 -14.338 28 1HB GLU 5 2HB GLU 5 -6.192 1.917 -16.450 29 2HB GLU 5 1HB GLU 5 -6.497 0.272 -15.950 30 1HG GLU 5 2HG GLU 5 -6.987 2.711 -14.250 31 2HG GLU 5 1HG GLU 5 -8.208 1.902 -15.220 32 H GLY 6 H GLY 6 -5.398 0.225 -12.575 33 1HA GLY 6 2HA GLY 6 -4.924 -1.690 -11.502 34 2HA GLY 6 1HA GLY 6 -4.310 -2.405 -13.009 35 H GLN 7 H GLN 7 -3.173 0.640 -11.880 36 HA GLN 7 HA GLN 7 -0.530 -0.552 -11.762 37 1HB GLN 7 2HB GLN 7 0.334 1.702 -11.750 38 2HB GLN 7 1HB GLN 7 -0.630 1.304 -13.157 39 1HG GLN 7 2HG GLN 7 -2.501 2.602 -12.252 40 2HG GLN 7 1HG GLN 7 -1.611 2.864 -10.754 41 1HE2 GLN 7 1HE2 GLN 7 -1.937 3.762 -14.075 42 2HE2 GLN 7 2HE2 GLN 7 -0.936 5.159 -13.993 43 H VAL 8 H VAL 8 0.744 -0.436 -10.279 44 HA VAL 8 HA VAL 8 0.006 0.635 -7.627 45 HB VAL 8 HB VAL 8 1.843 -1.709 -8.204 46 1HG1 VAL 8 1HG1 VAL 8 0.752 -0.641 -5.614 47 2HG1 VAL 8 2HG1 VAL 8 2.423 -0.552 -6.172 48 3HG1 VAL 8 3HG1 VAL 8 1.694 -2.122 -5.785 49 1HG2 VAL 8 1HG2 VAL 8 -0.977 -1.769 -7.136 50 2HG2 VAL 8 2HG2 VAL 8 0.096 -3.163 -7.263 51 3HG2 VAL 8 3HG2 VAL 8 -0.455 -2.336 -8.720 52 H ILE 9 H ILE 9 1.497 2.223 -6.893 53 HA ILE 9 HA ILE 9 3.711 2.698 -8.686 54 HB ILE 9 HB ILE 9 2.773 4.261 -6.275 55 1HG1 ILE 9 2HG1 ILE 9 1.220 4.369 -8.160 56 2HG1 ILE 9 1HG1 ILE 9 2.056 5.903 -7.941 57 1HG2 ILE 9 1HG2 ILE 9 4.929 4.969 -8.275 58 2HG2 ILE 9 2HG2 ILE 9 5.189 4.548 -6.586 59 3HG2 ILE 9 3HG2 ILE 9 4.325 6.031 -7.000 60 1HD1 ILE 9 1HD1 ILE 9 3.537 5.367 -9.805 61 2HD1 ILE 9 2HD1 ILE 9 1.843 5.355 -10.290 62 3HD1 ILE 9 3HD1 ILE 9 2.692 3.834 -10.041 63 H ALA 10 H ALA 10 5.507 1.628 -8.404 64 HA ALA 10 HA ALA 10 6.241 0.591 -5.806 65 1HB ALA 10 1HB ALA 10 6.489 -0.851 -7.779 66 2HB ALA 10 2HB ALA 10 8.046 -0.546 -7.009 67 3HB ALA 10 3HB ALA 10 7.609 0.314 -8.484 68 H CYS 11 H CYS 11 7.360 1.804 -4.444 69 HA CYS 11 HA CYS 11 8.926 3.973 -5.524 70 1HB CYS 11 2HB CYS 11 8.146 3.535 -2.669 71 2HB CYS 11 1HB CYS 11 8.705 4.955 -3.472 72 HG CYS 11 HG CYS 11 5.761 3.653 -4.541 73 H HIS 12 H HIS 12 11.056 3.811 -5.379 74 HA HIS 12 HA HIS 12 12.232 1.951 -3.423 75 1HB HIS 12 2HB HIS 12 13.265 2.651 -6.181 76 2HB HIS 12 1HB HIS 12 14.158 1.712 -4.995 77 HD1 HIS 12 1HD HIS 12 13.607 -0.717 -4.777 78 HD2 HIS 12 2HD HIS 12 11.017 1.296 -7.317 79 HE1 HIS 12 1HE HIS 12 12.273 -2.509 -5.952 80 HE2 HIS 12 2HE HIS 12 11.074 -1.233 -7.748 81 H THR 13 H THR 13 11.559 4.981 -3.787 82 HA THR 13 HA THR 13 14.103 5.884 -2.700 83 HB THR 13 HB THR 13 13.780 8.057 -4.008 84 HG1 THR 13 1HG THR 13 12.578 6.841 -6.076 85 1HG2 THR 13 1HG2 THR 13 15.544 6.462 -4.592 86 2HG2 THR 13 2HG2 THR 13 14.855 7.176 -6.051 87 3HG2 THR 13 3HG2 THR 13 14.402 5.543 -5.567 88 H VAL 14 H VAL 14 13.945 7.545 -1.187 89 HA VAL 14 HA VAL 14 11.430 7.635 0.115 90 HB VAL 14 HB VAL 14 13.533 7.667 1.423 91 1HG1 VAL 14 1HG1 VAL 14 14.963 8.962 0.031 92 2HG1 VAL 14 2HG1 VAL 14 14.880 9.713 1.625 93 3HG1 VAL 14 3HG1 VAL 14 13.976 10.400 0.274 94 1HG2 VAL 14 1HG2 VAL 14 11.851 10.135 1.856 95 2HG2 VAL 14 2HG2 VAL 14 12.950 9.434 3.042 96 3HG2 VAL 14 3HG2 VAL 14 11.537 8.525 2.505 97 H GLU 15 H GLU 15 13.049 9.592 -2.186 98 HA GLU 15 HA GLU 15 11.674 12.021 -2.009 99 1HB GLU 15 2HB GLU 15 13.585 11.688 -3.487 100 2HB GLU 15 1HB GLU 15 12.689 10.516 -4.422 101 1HG GLU 15 2HG GLU 15 12.801 12.602 -5.620 102 2HG GLU 15 1HG GLU 15 11.141 12.261 -5.152 103 H THR 16 H THR 16 10.960 9.148 -3.942 104 HA THR 16 HA THR 16 8.501 10.064 -4.943 105 HB THR 16 HB THR 16 9.425 7.194 -4.580 106 HG1 THR 16 1HG THR 16 10.881 7.964 -5.909 107 1HG2 THR 16 1HG2 THR 16 7.010 7.382 -5.088 108 2HG2 THR 16 2HG2 THR 16 7.894 6.708 -6.457 109 3HG2 THR 16 3HG2 THR 16 7.385 8.394 -6.483 110 H TRP 17 H TRP 17 9.308 8.023 -2.171 111 HA TRP 17 HA TRP 17 6.781 7.409 -1.216 112 1HB TRP 17 2HB TRP 17 8.712 6.345 -0.284 113 2HB TRP 17 1HB TRP 17 9.402 7.894 0.180 114 HD1 TRP 17 HD TRP 17 9.048 8.591 2.607 115 HE1 TRP 17 1HE TRP 17 7.559 7.827 4.539 116 HE3 TRP 17 3HE TRP 17 6.154 5.244 0.092 117 HZ2 TRP 17 2HZ TRP 17 5.425 6.027 4.959 118 HZ3 TRP 17 3HZ TRP 17 4.407 4.054 1.324 119 HH2 TRP 17 HH TRP 17 4.050 4.433 3.711 120 H ASN 18 H ASN 18 8.837 10.150 -0.325 121 HA ASN 18 HA ASN 18 7.057 11.357 1.494 122 1HB ASN 18 2HB ASN 18 9.535 11.738 1.338 123 2HB ASN 18 1HB ASN 18 9.264 12.633 -0.142 124 1HD2 ASN 18 1HD2 ASN 18 10.545 13.512 2.248 125 2HD2 ASN 18 2HD2 ASN 18 9.643 14.855 2.847 126 H GLU 19 H GLU 19 7.749 11.996 -1.928 127 HA GLU 19 HA GLU 19 6.071 14.209 -2.177 128 1HB GLU 19 2HB GLU 19 7.857 13.652 -3.772 129 2HB GLU 19 1HB GLU 19 6.936 12.259 -4.305 130 1HG GLU 19 2HG GLU 19 5.164 13.720 -5.104 131 2HG GLU 19 1HG GLU 19 6.079 15.126 -4.557 132 H GLN 20 H GLN 20 5.393 10.700 -2.875 133 HA GLN 20 HA GLN 20 2.905 11.126 -3.894 134 1HB GLN 20 2HB GLN 20 4.269 8.902 -2.583 135 2HB GLN 20 1HB GLN 20 2.614 8.725 -3.131 136 1HG GLN 20 2HG GLN 20 5.011 9.416 -4.851 137 2HG GLN 20 1HG GLN 20 4.268 7.826 -4.749 138 1HE2 GLN 20 1HE2 GLN 20 3.813 7.770 -6.917 139 2HE2 GLN 20 2HE2 GLN 20 2.576 8.734 -7.649 140 H LEU 21 H LEU 21 3.967 10.691 -0.452 141 HA LEU 21 HA LEU 21 1.357 10.477 0.448 142 1HB LEU 21 2HB LEU 21 3.957 11.172 1.585 143 2HB LEU 21 1HB LEU 21 2.528 11.101 2.569 144 HG LEU 21 HG LEU 21 3.920 8.835 1.120 145 1HD1 LEU 21 1HD1 LEU 21 4.990 9.547 3.178 146 2HD1 LEU 21 2HD1 LEU 21 4.269 7.952 3.365 147 3HD1 LEU 21 3HD1 LEU 21 3.467 9.368 4.049 148 1HD2 LEU 21 1HD2 LEU 21 1.496 8.482 1.001 149 2HD2 LEU 21 2HD2 LEU 21 1.370 8.734 2.741 150 3HD2 LEU 21 3HD2 LEU 21 2.244 7.335 2.115 151 H GLN 22 H GLN 22 3.633 13.121 0.130 152 HA GLN 22 HA GLN 22 2.089 15.066 1.373 153 1HB GLN 22 2HB GLN 22 4.468 15.354 0.718 154 2HB GLN 22 1HB GLN 22 3.973 15.432 -0.967 155 1HG GLN 22 2HG GLN 22 2.673 17.442 -0.478 156 2HG GLN 22 1HG GLN 22 3.217 17.385 1.196 157 1HE2 GLN 22 1HE2 GLN 22 4.068 18.103 -2.053 158 2HE2 GLN 22 2HE2 GLN 22 5.595 18.832 -1.742 159 H LYS 23 H LYS 23 2.231 13.986 -1.977 160 HA LYS 23 HA LYS 23 0.376 15.771 -3.070 161 1HB LYS 23 2HB LYS 23 1.976 14.468 -4.400 162 2HB LYS 23 1HB LYS 23 1.141 12.990 -3.960 163 1HG LYS 23 2HG LYS 23 -0.843 13.740 -5.162 164 2HG LYS 23 1HG LYS 23 -0.025 15.249 -5.572 165 1HD LYS 23 2HD LYS 23 1.696 13.965 -6.778 166 2HD LYS 23 1HD LYS 23 0.830 12.477 -6.407 167 1HE LYS 23 2HE LYS 23 -0.270 14.793 -7.996 168 2HE LYS 23 1HE LYS 23 0.363 13.301 -8.684 169 1HZ LYS 23 1HZ LYS 23 -2.067 13.325 -8.528 170 2HZ LYS 23 2HZ LYS 23 -2.007 13.454 -6.863 171 3HZ LYS 23 3HZ LYS 23 -1.391 12.080 -7.634 172 H ALA 24 H ALA 24 -0.032 12.456 -1.704 173 HA ALA 24 HA ALA 24 -2.775 12.313 -2.372 174 1HB ALA 24 1HB ALA 24 -1.404 10.320 -1.943 175 2HB ALA 24 2HB ALA 24 -2.828 10.367 -0.901 176 3HB ALA 24 3HB ALA 24 -1.246 10.801 -0.252 177 H ASN 25 H ASN 25 -1.012 13.347 0.455 178 HA ASN 25 HA ASN 25 -3.113 13.635 2.305 179 1HB ASN 25 2HB ASN 25 -0.575 13.793 2.674 180 2HB ASN 25 1HB ASN 25 -0.705 15.390 2.041 181 1HD2 ASN 25 1HD2 ASN 25 -1.527 17.074 3.236 182 2HD2 ASN 25 2HD2 ASN 25 -1.969 16.902 4.889 183 H GLU 26 H GLU 26 -1.516 15.925 0.275 184 HA GLU 26 HA GLU 26 -3.138 18.160 0.818 185 1HB GLU 26 2HB GLU 26 -0.918 18.404 -0.082 186 2HB GLU 26 1HB GLU 26 -1.378 17.564 -1.549 187 1HG GLU 26 2HG GLU 26 -2.840 19.372 -2.166 188 2HG GLU 26 1HG GLU 26 -2.485 20.207 -0.652 189 H SER 27 H SER 27 -3.367 15.773 -1.833 190 HA SER 27 HA SER 27 -5.546 17.216 -3.021 191 1HB SER 27 2HB SER 27 -4.308 14.579 -3.730 192 2HB SER 27 1HB SER 27 -5.440 15.493 -4.729 193 HG SER 27 HG SER 27 -2.763 15.957 -4.145 194 H LYS 28 H LYS 28 -5.421 15.248 -0.396 195 HA LYS 28 HA LYS 28 -6.907 14.061 0.799 196 1HB LYS 28 2HB LYS 28 -8.756 15.314 -1.116 197 2HB LYS 28 1HB LYS 28 -9.371 14.268 0.160 198 1HG LYS 28 2HG LYS 28 -8.300 15.794 1.801 199 2HG LYS 28 1HG LYS 28 -7.857 16.850 0.458 200 1HD LYS 28 2HD LYS 28 -10.142 17.262 -0.077 201 2HD LYS 28 1HD LYS 28 -10.685 16.012 1.043 202 1HE LYS 28 2HE LYS 28 -9.266 18.556 1.795 203 2HE LYS 28 1HE LYS 28 -10.992 18.245 1.984 204 1HZ LYS 28 1HZ LYS 28 -9.839 17.843 4.078 205 2HZ LYS 28 2HZ LYS 28 -8.793 16.772 3.325 206 3HZ LYS 28 3HZ LYS 28 -10.400 16.366 3.467 207 H THR 29 H THR 29 -5.629 12.915 -1.550 208 HA THR 29 HA THR 29 -7.516 11.040 -2.616 209 HB THR 29 HB THR 29 -4.553 10.896 -2.784 210 HG1 THR 29 1HG THR 29 -6.463 12.538 -4.109 211 1HG2 THR 29 1HG2 THR 29 -5.775 8.976 -3.660 212 2HG2 THR 29 2HG2 THR 29 -5.021 9.854 -4.991 213 3HG2 THR 29 3HG2 THR 29 -6.748 10.036 -4.683 214 H LEU 30 H LEU 30 -7.530 8.940 -2.113 215 HA LEU 30 HA LEU 30 -6.678 8.347 0.532 216 1HB LEU 30 2HB LEU 30 -8.964 7.718 -0.230 217 2HB LEU 30 1HB LEU 30 -8.283 6.657 -1.427 218 HG LEU 30 HG LEU 30 -8.054 6.148 1.563 219 1HD1 LEU 30 1HD1 LEU 30 -10.388 6.193 0.892 220 2HD1 LEU 30 2HD1 LEU 30 -9.860 4.549 1.247 221 3HD1 LEU 30 3HD1 LEU 30 -10.039 5.077 -0.427 222 1HD2 LEU 30 1HD2 LEU 30 -7.763 4.299 -0.798 223 2HD2 LEU 30 2HD2 LEU 30 -7.542 3.869 0.900 224 3HD2 LEU 30 3HD2 LEU 30 -6.410 4.971 0.108 225 H VAL 31 H VAL 31 -4.928 6.918 0.985 226 HA VAL 31 HA VAL 31 -3.476 5.927 -1.339 227 HB VAL 31 HB VAL 31 -2.458 8.003 -0.584 228 1HG1 VAL 31 1HG1 VAL 31 -3.217 8.072 1.706 229 2HG1 VAL 31 2HG1 VAL 31 -1.464 8.260 1.636 230 3HG1 VAL 31 3HG1 VAL 31 -2.166 6.713 2.110 231 1HG2 VAL 31 1HG2 VAL 31 -0.166 7.234 -0.127 232 2HG2 VAL 31 2HG2 VAL 31 -0.944 6.316 -1.414 233 3HG2 VAL 31 3HG2 VAL 31 -0.792 5.617 0.199 234 H VAL 32 H VAL 32 -2.616 3.922 -1.177 235 HA VAL 32 HA VAL 32 -2.678 2.627 1.439 236 HB VAL 32 HB VAL 32 -4.576 1.855 -0.020 237 1HG1 VAL 32 1HG1 VAL 32 -4.214 0.501 -1.921 238 2HG1 VAL 32 2HG1 VAL 32 -2.495 0.853 -1.826 239 3HG1 VAL 32 3HG1 VAL 32 -3.652 2.162 -2.127 240 1HG2 VAL 32 1HG2 VAL 32 -3.703 0.342 1.682 241 2HG2 VAL 32 2HG2 VAL 32 -2.497 -0.252 0.543 242 3HG2 VAL 32 3HG2 VAL 32 -4.208 -0.555 0.249 243 H VAL 33 H VAL 33 -0.883 1.533 1.962 244 HA VAL 33 HA VAL 33 1.233 1.444 -0.086 245 HB VAL 33 HB VAL 33 1.579 1.979 2.869 246 1HG1 VAL 33 1HG1 VAL 33 3.440 0.736 1.914 247 2HG1 VAL 33 2HG1 VAL 33 3.915 2.369 2.346 248 3HG1 VAL 33 3HG1 VAL 33 3.625 1.953 0.651 249 1HG2 VAL 33 1HG2 VAL 33 1.882 3.830 0.502 250 2HG2 VAL 33 2HG2 VAL 33 2.276 4.232 2.174 251 3HG2 VAL 33 3HG2 VAL 33 0.605 3.896 1.716 252 H ASP 34 H ASP 34 2.117 -0.448 -0.452 253 HA ASP 34 HA ASP 34 1.843 -2.638 1.467 254 1HB ASP 34 2HB ASP 34 1.030 -3.275 -0.690 255 2HB ASP 34 1HB ASP 34 2.402 -2.543 -1.501 256 H PHE 35 H PHE 35 3.552 -2.740 2.819 257 HA PHE 35 HA PHE 35 6.183 -1.962 1.887 258 1HB PHE 35 2HB PHE 35 5.141 -2.888 4.566 259 2HB PHE 35 1HB PHE 35 6.807 -2.468 4.241 260 HD1 PHE 35 1HD PHE 35 3.465 -1.228 4.923 261 HD2 PHE 35 2HD PHE 35 7.417 -0.109 3.805 262 HE1 PHE 35 1HE PHE 35 2.969 1.109 5.517 263 HE2 PHE 35 2HE PHE 35 6.930 2.223 4.395 264 HZ PHE 35 HZ PHE 35 4.701 2.836 5.257 265 H THR 36 H THR 36 7.420 -3.473 0.951 266 HA THR 36 HA THR 36 7.238 -6.228 1.875 267 HB THR 36 HB THR 36 5.582 -6.041 0.064 268 HG1 THR 36 1HG THR 36 6.771 -7.531 -1.469 269 1HG2 THR 36 1HG2 THR 36 6.274 -5.513 -2.193 270 2HG2 THR 36 2HG2 THR 36 7.909 -5.139 -1.632 271 3HG2 THR 36 3HG2 THR 36 6.542 -4.136 -1.125 272 H ALA 37 H ALA 37 8.913 -7.535 0.694 273 HA ALA 37 HA ALA 37 11.242 -6.008 -0.174 274 1HB ALA 37 1HB ALA 37 11.327 -8.235 1.866 275 2HB ALA 37 2HB ALA 37 11.619 -6.528 2.196 276 3HB ALA 37 3HB ALA 37 12.732 -7.429 1.165 277 H SER 38 H SER 38 12.501 -7.085 -1.637 278 HA SER 38 HA SER 38 11.219 -8.813 -3.422 279 1HB SER 38 2HB SER 38 13.001 -7.222 -4.054 280 2HB SER 38 1HB SER 38 14.161 -8.153 -3.120 281 HG SER 38 HG SER 38 12.945 -9.788 -4.844 282 H TRP 39 H TRP 39 13.282 -9.429 -0.688 283 HA TRP 39 HA TRP 39 13.678 -12.196 -1.446 284 1HB TRP 39 2HB TRP 39 15.152 -12.285 0.602 285 2HB TRP 39 1HB TRP 39 15.619 -11.094 -0.591 286 HD1 TRP 39 HD TRP 39 15.572 -8.659 0.100 287 HE1 TRP 39 1HE TRP 39 15.385 -7.414 2.389 288 HE3 TRP 39 3HE TRP 39 13.915 -12.526 2.942 289 HZ2 TRP 39 2HZ TRP 39 14.619 -8.051 5.021 290 HZ3 TRP 39 3HZ TRP 39 13.478 -12.150 5.330 291 HH2 TRP 39 HH TRP 39 13.825 -9.961 6.348 292 H CYS 40 H CYS 40 11.089 -10.805 -0.272 293 HA CYS 40 HA CYS 40 10.635 -12.702 1.901 294 1HB CYS 40 2HB CYS 40 10.103 -10.400 2.428 295 2HB CYS 40 1HB CYS 40 9.065 -10.274 1.014 296 H GLY 41 H GLY 41 9.554 -14.503 1.508 297 1HA GLY 41 2HA GLY 41 8.502 -15.170 -1.030 298 2HA GLY 41 1HA GLY 41 8.361 -16.129 0.435 299 HA PRO 42 HA PRO 42 4.044 -15.176 1.182 300 1HB PRO 42 2HB PRO 42 4.813 -13.194 3.282 301 2HB PRO 42 1HB PRO 42 3.616 -14.486 3.359 302 1HG PRO 42 2HG PRO 42 5.944 -14.798 4.545 303 2HG PRO 42 1HG PRO 42 5.224 -16.138 3.635 304 1HD PRO 42 2HD PRO 42 7.497 -14.357 2.891 305 2HD PRO 42 1HD PRO 42 7.248 -16.078 2.543 306 H CYS 43 H CYS 43 6.119 -12.357 1.359 307 HA CYS 43 HA CYS 43 4.204 -10.390 0.703 308 1HB CYS 43 2HB CYS 43 7.180 -10.353 0.235 309 2HB CYS 43 1HB CYS 43 6.128 -8.958 0.434 310 H ARG 44 H ARG 44 6.565 -12.227 -1.205 311 HA ARG 44 HA ARG 44 6.098 -11.000 -3.701 312 1HB ARG 44 2HB ARG 44 8.126 -12.221 -3.150 313 2HB ARG 44 1HB ARG 44 7.204 -13.689 -2.899 314 1HG ARG 44 2HG ARG 44 6.681 -13.748 -5.285 315 2HG ARG 44 1HG ARG 44 7.613 -12.264 -5.514 316 1HD ARG 44 2HD ARG 44 9.625 -13.349 -4.727 317 2HD ARG 44 1HD ARG 44 8.720 -14.818 -4.368 318 HE ARG 44 HE ARG 44 8.280 -14.328 -7.008 319 1HH1 ARG 44 1HH1 ARG 44 11.174 -14.868 -5.026 320 2HH1 ARG 44 2HH1 ARG 44 12.051 -15.593 -6.282 321 1HH2 ARG 44 1HH2 ARG 44 9.459 -15.342 -8.699 322 2HH2 ARG 44 2HH2 ARG 44 11.057 -15.874 -8.434 323 H PHE 45 H PHE 45 4.668 -13.632 -1.966 324 HA PHE 45 HA PHE 45 3.099 -14.674 -4.120 325 1HB PHE 45 2HB PHE 45 3.804 -16.157 -2.364 326 2HB PHE 45 1HB PHE 45 3.039 -15.155 -1.142 327 HD1 PHE 45 1HD PHE 45 2.315 -17.294 -4.085 328 HD2 PHE 45 2HD PHE 45 0.842 -15.562 -0.488 329 HE1 PHE 45 1HE PHE 45 0.274 -18.640 -4.273 330 HE2 PHE 45 2HE PHE 45 -1.207 -16.912 -0.672 331 HZ PHE 45 HZ PHE 45 -1.488 -18.450 -2.567 332 H ILE 46 H ILE 46 2.512 -12.320 -1.566 333 HA ILE 46 HA ILE 46 -0.341 -12.320 -2.104 334 HB ILE 46 HB ILE 46 0.600 -12.020 0.230 335 1HG1 ILE 46 2HG1 ILE 46 -0.922 -10.165 0.899 336 2HG1 ILE 46 1HG1 ILE 46 -1.161 -9.797 -0.811 337 1HG2 ILE 46 1HG2 ILE 46 1.390 -9.301 -0.777 338 2HG2 ILE 46 2HG2 ILE 46 2.475 -10.609 -0.315 339 3HG2 ILE 46 3HG2 ILE 46 1.446 -9.842 0.904 340 1HD1 ILE 46 1HD1 ILE 46 -2.985 -11.110 0.114 341 2HD1 ILE 46 2HD1 ILE 46 -1.814 -12.366 0.560 342 3HD1 ILE 46 3HD1 ILE 46 -2.108 -12.003 -1.141 343 H ALA 47 H ALA 47 2.428 -10.797 -3.213 344 HA ALA 47 HA ALA 47 1.703 -8.238 -3.832 345 1HB ALA 47 1HB ALA 47 3.490 -9.996 -5.498 346 2HB ALA 47 2HB ALA 47 3.970 -9.159 -4.026 347 3HB ALA 47 3HB ALA 47 3.494 -8.230 -5.446 348 HA PRO 48 HA PRO 48 -0.043 -9.617 -8.223 349 1HB PRO 48 2HB PRO 48 -1.211 -12.117 -8.210 350 2HB PRO 48 1HB PRO 48 0.397 -11.760 -8.850 351 1HG PRO 48 2HG PRO 48 -0.365 -12.860 -6.172 352 2HG PRO 48 1HG PRO 48 0.943 -13.370 -7.258 353 1HD PRO 48 2HD PRO 48 1.445 -11.844 -5.134 354 2HD PRO 48 1HD PRO 48 2.287 -11.569 -6.675 355 H PHE 49 H PHE 49 -1.337 -10.782 -5.219 356 HA PHE 49 HA PHE 49 -4.097 -10.497 -5.923 357 1HB PHE 49 2HB PHE 49 -3.259 -12.008 -4.098 358 2HB PHE 49 1HB PHE 49 -2.862 -10.585 -3.151 359 HD1 PHE 49 1HD PHE 49 -4.602 -9.317 -2.040 360 HD2 PHE 49 2HD PHE 49 -5.558 -12.671 -4.479 361 HE1 PHE 49 1HE PHE 49 -6.876 -9.360 -1.095 362 HE2 PHE 49 2HE PHE 49 -7.823 -12.715 -3.543 363 HZ PHE 49 HZ PHE 49 -8.487 -11.063 -1.851 364 H PHE 50 H PHE 50 -1.727 -8.501 -4.247 365 HA PHE 50 HA PHE 50 -3.479 -6.290 -3.676 366 1HB PHE 50 2HB PHE 50 -1.366 -6.732 -2.429 367 2HB PHE 50 1HB PHE 50 -0.452 -6.408 -3.889 368 HD1 PHE 50 1HD PHE 50 -2.648 -4.886 -1.333 369 HD2 PHE 50 2HD PHE 50 0.132 -4.183 -4.482 370 HE1 PHE 50 1HE PHE 50 -2.500 -2.520 -0.670 371 HE2 PHE 50 2HE PHE 50 0.284 -1.818 -3.821 372 HZ PHE 50 HZ PHE 50 -1.031 -0.985 -1.916 373 H ALA 51 H ALA 51 -1.420 -7.155 -6.354 374 HA ALA 51 HA ALA 51 -1.704 -4.697 -7.763 375 1HB ALA 51 1HB ALA 51 0.073 -6.316 -8.298 376 2HB ALA 51 2HB ALA 51 -0.902 -5.944 -9.720 377 3HB ALA 51 3HB ALA 51 -1.145 -7.462 -8.857 378 H ASP 52 H ASP 52 -3.544 -7.647 -7.605 379 HA ASP 52 HA ASP 52 -5.422 -7.152 -9.681 380 1HB ASP 52 2HB ASP 52 -4.933 -9.308 -8.471 381 2HB ASP 52 1HB ASP 52 -5.806 -8.666 -7.133 382 H LEU 53 H LEU 53 -5.230 -6.379 -6.332 383 HA LEU 53 HA LEU 53 -7.728 -5.193 -5.985 384 1HB LEU 53 2HB LEU 53 -5.070 -4.827 -4.693 385 2HB LEU 53 1HB LEU 53 -6.445 -3.969 -4.113 386 HG LEU 53 HG LEU 53 -6.016 -6.925 -4.128 387 1HD1 LEU 53 1HD1 LEU 53 -6.116 -6.683 -1.692 388 2HD1 LEU 53 2HD1 LEU 53 -6.352 -4.949 -1.872 389 3HD1 LEU 53 3HD1 LEU 53 -4.826 -5.679 -2.355 390 1HD2 LEU 53 1HD2 LEU 53 -8.171 -7.089 -2.965 391 2HD2 LEU 53 2HD2 LEU 53 -8.358 -6.496 -4.608 392 3HD2 LEU 53 3HD2 LEU 53 -8.447 -5.372 -3.246 393 H ALA 54 H ALA 54 -4.624 -3.757 -6.953 394 HA ALA 54 HA ALA 54 -5.571 -1.108 -7.256 395 1HB ALA 54 1HB ALA 54 -3.567 -0.744 -8.618 396 2HB ALA 54 2HB ALA 54 -3.320 -2.491 -8.720 397 3HB ALA 54 3HB ALA 54 -3.193 -1.668 -7.163 398 H LYS 55 H LYS 55 -5.552 -3.847 -9.296 399 HA LYS 55 HA LYS 55 -6.362 -2.795 -11.794 400 1HB LYS 55 2HB LYS 55 -5.395 -4.956 -11.551 401 2HB LYS 55 1HB LYS 55 -6.594 -5.419 -10.371 402 1HG LYS 55 2HG LYS 55 -8.286 -5.333 -12.241 403 2HG LYS 55 1HG LYS 55 -6.909 -5.168 -13.346 404 1HD LYS 55 2HD LYS 55 -5.929 -7.207 -12.520 405 2HD LYS 55 1HD LYS 55 -7.181 -7.352 -11.297 406 1HE LYS 55 2HE LYS 55 -8.848 -7.580 -13.118 407 2HE LYS 55 1HE LYS 55 -7.510 -7.572 -14.272 408 1HZ LYS 55 1HZ LYS 55 -8.201 -9.832 -13.675 409 2HZ LYS 55 2HZ LYS 55 -7.826 -9.513 -12.055 410 3HZ LYS 55 3HZ LYS 55 -6.609 -9.532 -13.206 411 H LYS 56 H LYS 56 -8.118 -3.609 -8.892 412 HA LYS 56 HA LYS 56 -10.637 -3.301 -10.323 413 1HB LYS 56 2HB LYS 56 -10.086 -4.360 -7.565 414 2HB LYS 56 1HB LYS 56 -11.707 -4.138 -8.221 415 1HG LYS 56 2HG LYS 56 -11.175 -5.686 -10.045 416 2HG LYS 56 1HG LYS 56 -9.561 -5.910 -9.379 417 1HD LYS 56 2HD LYS 56 -12.134 -6.577 -7.945 418 2HD LYS 56 1HD LYS 56 -11.132 -7.733 -8.821 419 1HE LYS 56 2HE LYS 56 -9.265 -7.246 -7.288 420 2HE LYS 56 1HE LYS 56 -10.295 -6.115 -6.413 421 1HZ LYS 56 1HZ LYS 56 -10.857 -9.011 -6.719 422 2HZ LYS 56 2HZ LYS 56 -11.735 -7.923 -5.777 423 3HZ LYS 56 3HZ LYS 56 -10.155 -8.312 -5.370 424 H LEU 57 H LEU 57 -8.756 -1.645 -7.834 425 HA LEU 57 HA LEU 57 -10.899 0.307 -7.670 426 1HB LEU 57 2HB LEU 57 -8.611 -0.288 -5.805 427 2HB LEU 57 1HB LEU 57 -9.636 1.113 -5.656 428 HG LEU 57 HG LEU 57 -11.579 -0.481 -5.277 429 1HD1 LEU 57 1HD1 LEU 57 -10.673 -2.487 -6.270 430 2HD1 LEU 57 2HD1 LEU 57 -11.107 -2.763 -4.581 431 3HD1 LEU 57 3HD1 LEU 57 -9.415 -2.550 -5.032 432 1HD2 LEU 57 1HD2 LEU 57 -10.527 0.664 -3.429 433 2HD2 LEU 57 2HD2 LEU 57 -9.299 -0.598 -3.316 434 3HD2 LEU 57 3HD2 LEU 57 -10.982 -0.971 -2.954 435 HA PRO 58 HA PRO 58 -7.761 2.500 -10.106 436 1HB PRO 58 2HB PRO 58 -9.403 3.855 -11.697 437 2HB PRO 58 1HB PRO 58 -9.167 2.115 -11.910 438 1HG PRO 58 2HG PRO 58 -11.425 3.571 -10.608 439 2HG PRO 58 1HG PRO 58 -11.479 2.167 -11.685 440 1HD PRO 58 2HD PRO 58 -11.626 2.062 -8.916 441 2HD PRO 58 1HD PRO 58 -11.150 0.702 -9.951 442 H ASN 59 H ASN 59 -10.191 3.641 -7.990 443 HA ASN 59 HA ASN 59 -9.392 6.438 -8.297 444 1HB ASN 59 2HB ASN 59 -11.809 5.822 -7.935 445 2HB ASN 59 1HB ASN 59 -11.343 5.279 -6.323 446 1HD2 ASN 59 1HD2 ASN 59 -12.714 6.801 -5.326 447 2HD2 ASN 59 2HD2 ASN 59 -12.323 8.481 -5.311 448 H VAL 60 H VAL 60 -8.754 3.729 -6.334 449 HA VAL 60 HA VAL 60 -7.482 5.294 -4.253 450 HB VAL 60 HB VAL 60 -7.741 2.284 -4.613 451 1HG1 VAL 60 1HG1 VAL 60 -5.745 2.762 -3.357 452 2HG1 VAL 60 2HG1 VAL 60 -6.973 2.152 -2.242 453 3HG1 VAL 60 3HG1 VAL 60 -6.615 3.879 -2.321 454 1HG2 VAL 60 1HG2 VAL 60 -9.181 4.172 -2.750 455 2HG2 VAL 60 2HG2 VAL 60 -9.336 2.417 -2.744 456 3HG2 VAL 60 3HG2 VAL 60 -9.877 3.346 -4.143 457 H LEU 61 H LEU 61 -5.292 5.568 -4.134 458 HA LEU 61 HA LEU 61 -3.810 4.590 -6.452 459 1HB LEU 61 2HB LEU 61 -3.959 7.084 -5.704 460 2HB LEU 61 1HB LEU 61 -2.879 6.619 -4.411 461 HG LEU 61 HG LEU 61 -1.668 7.737 -6.204 462 1HD1 LEU 61 1HD1 LEU 61 -0.972 4.821 -6.137 463 2HD1 LEU 61 2HD1 LEU 61 -0.425 6.068 -5.015 464 3HD1 LEU 61 3HD1 LEU 61 0.070 6.126 -6.704 465 1HD2 LEU 61 1HD2 LEU 61 -2.648 5.532 -8.002 466 2HD2 LEU 61 2HD2 LEU 61 -1.481 6.777 -8.441 467 3HD2 LEU 61 3HD2 LEU 61 -3.141 7.223 -8.052 468 H PHE 62 H PHE 62 -2.690 2.794 -6.131 469 HA PHE 62 HA PHE 62 -2.086 1.923 -3.421 470 1HB PHE 62 2HB PHE 62 -1.838 0.452 -6.042 471 2HB PHE 62 1HB PHE 62 -1.503 -0.232 -4.484 472 HD1 PHE 62 1HD PHE 62 -3.109 -1.522 -3.473 473 HD2 PHE 62 2HD PHE 62 -4.371 1.507 -6.179 474 HE1 PHE 62 1HE PHE 62 -5.440 -2.230 -3.171 475 HE2 PHE 62 2HE PHE 62 -6.702 0.804 -5.882 476 HZ PHE 62 HZ PHE 62 -7.241 -1.070 -4.373 477 H LEU 63 H LEU 63 -0.004 1.512 -2.780 478 HA LEU 63 HA LEU 63 2.173 2.080 -4.636 479 1HB LEU 63 2HB LEU 63 2.023 2.960 -1.763 480 2HB LEU 63 1HB LEU 63 3.476 2.982 -2.722 481 HG LEU 63 HG LEU 63 2.236 4.590 -4.266 482 1HD1 LEU 63 1HD1 LEU 63 0.453 5.904 -3.213 483 2HD1 LEU 63 2HD1 LEU 63 0.418 4.737 -1.889 484 3HD1 LEU 63 3HD1 LEU 63 -0.009 4.229 -3.523 485 1HD2 LEU 63 1HD2 LEU 63 4.027 5.301 -2.797 486 2HD2 LEU 63 2HD2 LEU 63 2.893 5.456 -1.453 487 3HD2 LEU 63 3HD2 LEU 63 2.755 6.521 -2.849 488 H LYS 64 H LYS 64 4.020 0.988 -4.329 489 HA LYS 64 HA LYS 64 4.073 -1.314 -2.434 490 1HB LYS 64 2HB LYS 64 3.495 -1.809 -4.867 491 2HB LYS 64 1HB LYS 64 5.145 -1.278 -5.211 492 1HG LYS 64 2HG LYS 64 6.005 -2.866 -3.702 493 2HG LYS 64 1HG LYS 64 4.380 -3.358 -3.236 494 1HD LYS 64 2HD LYS 64 3.970 -4.029 -5.552 495 2HD LYS 64 1HD LYS 64 5.668 -3.661 -5.920 496 1HE LYS 64 2HE LYS 64 5.720 -5.956 -5.351 497 2HE LYS 64 1HE LYS 64 6.191 -4.889 -3.986 498 1HZ LYS 64 1HZ LYS 64 4.203 -5.238 -2.828 499 2HZ LYS 64 2HZ LYS 64 4.683 -6.761 -3.296 500 3HZ LYS 64 3HZ LYS 64 3.454 -5.964 -4.148 501 H VAL 65 H VAL 65 5.627 -0.946 -1.104 502 HA VAL 65 HA VAL 65 7.869 0.676 -2.077 503 HB VAL 65 HB VAL 65 6.717 0.575 0.722 504 1HG1 VAL 65 1HG1 VAL 65 8.975 2.228 -0.389 505 2HG1 VAL 65 2HG1 VAL 65 9.130 0.902 0.768 506 3HG1 VAL 65 3HG1 VAL 65 8.290 2.385 1.229 507 1HG2 VAL 65 1HG2 VAL 65 6.675 2.772 -1.345 508 2HG2 VAL 65 2HG2 VAL 65 6.075 2.904 0.308 509 3HG2 VAL 65 3HG2 VAL 65 5.298 1.801 -0.829 510 H ASP 66 H ASP 66 9.794 -0.197 -1.982 511 HA ASP 66 HA ASP 66 10.154 -2.817 -0.857 512 1HB ASP 66 2HB ASP 66 11.337 -2.038 -2.945 513 2HB ASP 66 1HB ASP 66 12.219 -0.932 -1.892 514 H THR 67 H THR 67 10.016 -2.818 1.232 515 HA THR 67 HA THR 67 10.893 -0.660 2.865 516 HB THR 67 HB THR 67 8.908 -1.987 3.496 517 HG1 THR 67 1HG THR 67 11.087 -1.619 5.156 518 1HG2 THR 67 1HG2 THR 67 9.178 -4.221 4.472 519 2HG2 THR 67 2HG2 THR 67 10.891 -4.193 4.054 520 3HG2 THR 67 3HG2 THR 67 9.673 -4.198 2.778 521 H ASP 68 H ASP 68 12.555 -3.178 1.460 522 HA ASP 68 HA ASP 68 14.450 -3.649 3.563 523 1HB ASP 68 2HB ASP 68 13.966 -5.303 1.769 524 2HB ASP 68 1HB ASP 68 14.646 -4.188 0.611 525 H GLU 69 H GLU 69 14.367 -1.834 0.513 526 HA GLU 69 HA GLU 69 16.808 -0.534 0.871 527 1HB GLU 69 2HB GLU 69 14.347 0.063 -0.699 528 2HB GLU 69 1HB GLU 69 15.770 1.069 -0.759 529 1HG GLU 69 2HG GLU 69 17.054 -0.947 -1.522 530 2HG GLU 69 1HG GLU 69 15.517 -1.813 -1.535 531 H LEU 70 H LEU 70 13.443 0.675 1.310 532 HA LEU 70 HA LEU 70 14.379 2.975 2.638 533 1HB LEU 70 2HB LEU 70 11.678 1.867 1.978 534 2HB LEU 70 1HB LEU 70 11.884 3.303 2.938 535 HG LEU 70 HG LEU 70 13.126 4.303 0.950 536 1HD1 LEU 70 1HD1 LEU 70 12.697 3.370 -1.250 537 2HD1 LEU 70 2HD1 LEU 70 11.966 1.948 -0.502 538 3HD1 LEU 70 3HD1 LEU 70 13.676 2.302 -0.245 539 1HD2 LEU 70 1HD2 LEU 70 10.869 4.981 1.472 540 2HD2 LEU 70 2HD2 LEU 70 10.221 3.597 0.602 541 3HD2 LEU 70 3HD2 LEU 70 11.074 4.868 -0.276 542 H LYS 71 H LYS 71 15.346 1.003 4.040 543 HA LYS 71 HA LYS 71 13.692 -0.031 6.056 544 1HB LYS 71 2HB LYS 71 15.846 -0.746 7.178 545 2HB LYS 71 1HB LYS 71 15.563 -1.349 5.559 546 1HG LYS 71 2HG LYS 71 17.889 -0.770 5.780 547 2HG LYS 71 1HG LYS 71 17.125 0.383 4.693 548 1HD LYS 71 2HD LYS 71 16.977 1.989 6.560 549 2HD LYS 71 1HD LYS 71 17.803 0.826 7.597 550 1HE LYS 71 2HE LYS 71 19.741 0.890 6.152 551 2HE LYS 71 1HE LYS 71 18.923 2.011 5.068 552 1HZ LYS 71 1HZ LYS 71 18.798 3.601 6.880 553 2HZ LYS 71 2HZ LYS 71 20.387 3.204 6.526 554 3HZ LYS 71 3HZ LYS 71 19.664 2.565 7.901 555 H SER 72 H SER 72 15.407 3.018 5.950 556 HA SER 72 HA SER 72 15.254 3.436 8.764 557 1HB SER 72 2HB SER 72 15.580 5.414 6.519 558 2HB SER 72 1HB SER 72 15.870 5.761 8.212 559 HG SER 72 HG SER 72 17.802 5.282 7.543 560 H VAL 73 H VAL 73 13.238 3.972 6.011 561 HA VAL 73 HA VAL 73 11.287 5.599 7.292 562 HB VAL 73 HB VAL 73 11.039 3.786 4.861 563 1HG1 VAL 73 1HG1 VAL 73 9.255 6.038 5.768 564 2HG1 VAL 73 2HG1 VAL 73 8.854 4.318 5.767 565 3HG1 VAL 73 3HG1 VAL 73 9.110 5.165 4.242 566 1HG2 VAL 73 1HG2 VAL 73 11.348 5.833 3.539 567 2HG2 VAL 73 2HG2 VAL 73 12.754 5.487 4.551 568 3HG2 VAL 73 3HG2 VAL 73 11.611 6.742 5.027 569 H ALA 74 H ALA 74 11.696 2.180 6.656 570 HA ALA 74 HA ALA 74 9.334 1.123 7.643 571 1HB ALA 74 1HB ALA 74 10.566 -0.956 7.960 572 2HB ALA 74 2HB ALA 74 12.087 -0.075 7.838 573 3HB ALA 74 3HB ALA 74 11.013 -0.180 6.442 574 H SER 75 H SER 75 12.382 1.682 9.428 575 HA SER 75 HA SER 75 11.542 0.744 11.900 576 1HB SER 75 2HB SER 75 13.543 2.916 11.274 577 2HB SER 75 1HB SER 75 13.435 2.015 12.788 578 HG SER 75 HG SER 75 14.404 0.436 11.928 579 H ASP 76 H ASP 76 11.137 3.900 10.395 580 HA ASP 76 HA ASP 76 10.306 5.206 12.796 581 1HB ASP 76 2HB ASP 76 11.352 6.379 10.850 582 2HB ASP 76 1HB ASP 76 9.880 6.079 9.937 583 H TRP 77 H TRP 77 8.672 3.659 10.097 584 HA TRP 77 HA TRP 77 6.125 4.363 11.181 585 1HB TRP 77 2HB TRP 77 6.907 2.916 8.697 586 2HB TRP 77 1HB TRP 77 5.217 3.098 9.171 587 HD1 TRP 77 HD TRP 77 8.178 5.060 7.777 588 HE1 TRP 77 1HE TRP 77 7.351 7.359 6.942 589 HE3 TRP 77 3HE TRP 77 3.388 4.929 9.545 590 HZ2 TRP 77 2HZ TRP 77 5.028 8.891 7.004 591 HZ3 TRP 77 3HZ TRP 77 1.930 6.873 9.109 592 HH2 TRP 77 HH TRP 77 2.734 8.802 7.870 593 H ALA 78 H ALA 78 8.185 2.235 12.205 594 HA ALA 78 HA ALA 78 8.101 0.429 13.581 595 1HB ALA 78 1HB ALA 78 6.209 1.619 14.628 596 2HB ALA 78 2HB ALA 78 5.998 -0.128 14.703 597 3HB ALA 78 3HB ALA 78 5.098 0.817 13.516 598 H ILE 79 H ILE 79 8.002 0.099 10.696 599 HA ILE 79 HA ILE 79 6.434 -2.293 10.265 600 HB ILE 79 HB ILE 79 8.452 -0.964 8.428 601 1HG1 ILE 79 2HG1 ILE 79 6.620 0.582 8.904 602 2HG1 ILE 79 1HG1 ILE 79 6.512 0.015 7.245 603 1HG2 ILE 79 1HG2 ILE 79 6.325 -3.023 7.824 604 2HG2 ILE 79 2HG2 ILE 79 8.064 -3.296 7.843 605 3HG2 ILE 79 3HG2 ILE 79 7.354 -2.237 6.625 606 1HD1 ILE 79 1HD1 ILE 79 4.853 -0.931 9.574 607 2HD1 ILE 79 2HD1 ILE 79 4.749 -1.551 7.928 608 3HD1 ILE 79 3HD1 ILE 79 4.325 0.129 8.265 609 H GLN 80 H GLN 80 7.296 -3.939 11.464 610 HA GLN 80 HA GLN 80 10.111 -4.500 11.022 611 1HB GLN 80 2HB GLN 80 10.018 -5.689 13.219 612 2HB GLN 80 1HB GLN 80 9.911 -3.933 13.299 613 1HG GLN 80 2HG GLN 80 8.385 -4.786 14.905 614 2HG GLN 80 1HG GLN 80 7.417 -4.249 13.544 615 1HE2 GLN 80 1HE2 GLN 80 5.701 -5.539 14.097 616 2HE2 GLN 80 2HE2 GLN 80 5.724 -7.261 13.924 617 H ALA 81 H ALA 81 7.033 -5.562 10.393 618 HA ALA 81 HA ALA 81 8.059 -8.218 9.724 619 1HB ALA 81 1HB ALA 81 5.851 -9.156 10.221 620 2HB ALA 81 2HB ALA 81 5.296 -7.565 10.742 621 3HB ALA 81 3HB ALA 81 6.557 -8.399 11.653 622 H MET 82 H MET 82 7.277 -9.080 7.764 623 HA MET 82 HA MET 82 5.999 -7.084 6.058 624 1HB MET 82 2HB MET 82 8.140 -9.083 5.395 625 2HB MET 82 1HB MET 82 7.350 -8.040 4.235 626 1HG MET 82 2HG MET 82 8.271 -6.088 5.326 627 2HG MET 82 1HG MET 82 9.019 -7.106 6.556 628 1HE MET 82 1HE MET 82 9.987 -9.604 4.767 629 2HE MET 82 2HE MET 82 10.945 -8.859 6.044 630 3HE MET 82 3HE MET 82 11.645 -9.102 4.450 631 HA PRO 83 HA PRO 83 5.235 -6.963 4.232 632 1HB PRO 83 2HB PRO 83 3.033 -6.970 2.726 633 2HB PRO 83 1HB PRO 83 4.457 -7.907 2.249 634 1HG PRO 83 2HG PRO 83 1.890 -8.836 3.429 635 2HG PRO 83 1HG PRO 83 2.965 -9.649 2.280 636 1HD PRO 83 2HD PRO 83 2.835 -10.089 5.064 637 2HD PRO 83 1HD PRO 83 4.083 -10.685 3.954 638 H THR 84 H THR 84 4.132 -5.008 4.641 639 HA THR 84 HA THR 84 1.832 -5.292 6.421 640 HB THR 84 HB THR 84 3.799 -3.087 6.355 641 HG1 THR 84 1HG THR 84 4.468 -5.181 7.399 642 1HG2 THR 84 1HG2 THR 84 1.610 -2.276 7.023 643 2HG2 THR 84 2HG2 THR 84 2.662 -2.274 8.436 644 3HG2 THR 84 3HG2 THR 84 1.472 -3.557 8.228 645 H PHE 85 H PHE 85 -0.020 -4.496 5.647 646 HA PHE 85 HA PHE 85 0.085 -2.767 3.323 647 1HB PHE 85 2HB PHE 85 -2.131 -4.414 4.550 648 2HB PHE 85 1HB PHE 85 -2.240 -3.454 3.093 649 HD1 PHE 85 1HD PHE 85 -1.106 -4.178 1.046 650 HD2 PHE 85 2HD PHE 85 -1.086 -6.562 4.568 651 HE1 PHE 85 1HE PHE 85 -0.402 -6.121 -0.276 652 HE2 PHE 85 2HE PHE 85 -0.378 -8.510 3.250 653 HZ PHE 85 HZ PHE 85 -0.034 -8.285 0.826 654 H MET 86 H MET 86 -0.316 -0.727 3.764 655 HA MET 86 HA MET 86 -1.775 -0.113 6.238 656 1HB MET 86 2HB MET 86 0.565 0.487 6.356 657 2HB MET 86 1HB MET 86 0.411 1.430 4.874 658 1HG MET 86 2HG MET 86 -1.043 2.981 6.010 659 2HG MET 86 1HG MET 86 -0.958 2.103 7.516 660 1HE MET 86 1HE MET 86 -0.149 4.125 8.856 661 2HE MET 86 2HE MET 86 -0.322 5.093 7.391 662 3HE MET 86 3HE MET 86 1.162 5.188 8.347 663 H PHE 87 H PHE 87 -3.645 0.831 5.961 664 HA PHE 87 HA PHE 87 -4.332 1.921 3.386 665 1HB PHE 87 2HB PHE 87 -5.885 0.785 5.687 666 2HB PHE 87 1HB PHE 87 -6.603 1.505 4.267 667 HD1 PHE 87 1HD PHE 87 -4.654 -1.348 5.548 668 HD2 PHE 87 2HD PHE 87 -6.773 0.247 2.221 669 HE1 PHE 87 1HE PHE 87 -4.603 -3.556 4.464 670 HE2 PHE 87 2HE PHE 87 -6.722 -1.955 1.129 671 HZ PHE 87 HZ PHE 87 -5.637 -3.862 2.251 672 H LEU 88 H LEU 88 -4.367 4.121 3.387 673 HA LEU 88 HA LEU 88 -5.200 5.356 5.872 674 1HB LEU 88 2HB LEU 88 -3.422 6.642 3.765 675 2HB LEU 88 1HB LEU 88 -3.903 7.362 5.271 676 HG LEU 88 HG LEU 88 -2.505 5.503 6.387 677 1HD1 LEU 88 1HD1 LEU 88 -2.253 4.028 4.499 678 2HD1 LEU 88 2HD1 LEU 88 -0.664 4.643 4.996 679 3HD1 LEU 88 3HD1 LEU 88 -1.459 5.302 3.578 680 1HD2 LEU 88 1HD2 LEU 88 -0.439 6.796 6.085 681 2HD2 LEU 88 2HD2 LEU 88 -1.838 7.841 6.331 682 3HD2 LEU 88 3HD2 LEU 88 -1.171 7.624 4.712 683 H LYS 89 H LYS 89 -6.355 7.500 5.341 684 HA LYS 89 HA LYS 89 -7.282 7.675 2.574 685 1HB LYS 89 2HB LYS 89 -9.104 6.627 3.874 686 2HB LYS 89 1HB LYS 89 -9.072 8.001 4.978 687 1HG LYS 89 2HG LYS 89 -9.770 9.484 3.163 688 2HG LYS 89 1HG LYS 89 -9.769 8.124 2.041 689 1HD LYS 89 2HD LYS 89 -11.528 7.043 3.365 690 2HD LYS 89 1HD LYS 89 -11.515 8.399 4.490 691 1HE LYS 89 2HE LYS 89 -13.372 8.623 2.930 692 2HE LYS 89 1HE LYS 89 -12.198 9.910 2.662 693 1HZ LYS 89 1HZ LYS 89 -13.010 8.971 0.599 694 2HZ LYS 89 2HZ LYS 89 -12.506 7.446 1.025 695 3HZ LYS 89 3HZ LYS 89 -11.368 8.649 0.721 696 H GLU 90 H GLU 90 -6.946 9.547 1.760 697 HA GLU 90 HA GLU 90 -6.457 11.585 1.440 698 1HB GLU 90 2HB GLU 90 -7.376 12.137 4.237 699 2HB GLU 90 1HB GLU 90 -7.018 13.403 3.084 700 1HG GLU 90 2HG GLU 90 -8.910 12.655 1.721 701 2HG GLU 90 1HG GLU 90 -9.245 11.380 2.899 702 H GLY 91 H GLY 91 -4.764 9.705 3.109 703 1HA GLY 91 2HA GLY 91 -2.474 9.828 3.745 704 2HA GLY 91 1HA GLY 91 -2.641 11.576 3.878 705 H LYS 92 H LYS 92 -5.252 10.154 5.391 706 HA LYS 92 HA LYS 92 -4.080 10.478 8.047 707 1HB LYS 92 2HB LYS 92 -6.940 9.967 7.187 708 2HB LYS 92 1HB LYS 92 -6.413 10.291 8.823 709 1HG LYS 92 2HG LYS 92 -5.768 12.554 8.172 710 2HG LYS 92 1HG LYS 92 -6.266 12.214 6.510 711 1HD LYS 92 2HD LYS 92 -8.550 11.811 7.254 712 2HD LYS 92 1HD LYS 92 -8.071 12.085 8.925 713 1HE LYS 92 2HE LYS 92 -9.157 14.060 8.047 714 2HE LYS 92 1HE LYS 92 -7.450 14.378 8.346 715 1HZ LYS 92 1HZ LYS 92 -8.169 15.311 6.241 716 2HZ LYS 92 2HZ LYS 92 -8.702 13.810 5.717 717 3HZ LYS 92 3HZ LYS 92 -7.046 14.081 5.956 718 H ILE 93 H ILE 93 -3.699 8.677 9.281 719 HA ILE 93 HA ILE 93 -3.686 6.098 8.096 720 HB ILE 93 HB ILE 93 -3.341 6.906 11.000 721 1HG1 ILE 93 2HG1 ILE 93 -1.288 6.109 8.968 722 2HG1 ILE 93 1HG1 ILE 93 -1.642 7.782 9.302 723 1HG2 ILE 93 1HG2 ILE 93 -3.990 4.550 10.844 724 2HG2 ILE 93 2HG2 ILE 93 -2.298 4.694 11.319 725 3HG2 ILE 93 3HG2 ILE 93 -2.714 4.265 9.660 726 1HD1 ILE 93 1HD1 ILE 93 0.352 7.087 10.485 727 2HD1 ILE 93 2HD1 ILE 93 -0.509 5.730 11.210 728 3HD1 ILE 93 3HD1 ILE 93 -0.926 7.384 11.664 729 H LEU 94 H LEU 94 -5.384 4.744 7.835 730 HA LEU 94 HA LEU 94 -7.578 5.005 9.701 731 1HB LEU 94 2HB LEU 94 -7.383 3.590 7.066 732 2HB LEU 94 1HB LEU 94 -8.778 3.536 8.107 733 HG LEU 94 HG LEU 94 -7.704 5.921 6.613 734 1HD1 LEU 94 1HD1 LEU 94 -9.915 5.836 5.537 735 2HD1 LEU 94 2HD1 LEU 94 -10.243 4.324 6.392 736 3HD1 LEU 94 3HD1 LEU 94 -8.921 4.418 5.228 737 1HD2 LEU 94 1HD2 LEU 94 -9.621 7.167 7.528 738 2HD2 LEU 94 2HD2 LEU 94 -8.503 6.676 8.793 739 3HD2 LEU 94 3HD2 LEU 94 -10.014 5.796 8.564 740 H ASP 95 H ASP 95 -5.939 2.355 7.945 741 HA ASP 95 HA ASP 95 -5.564 0.970 10.398 742 1HB ASP 95 2HB ASP 95 -6.733 -0.992 9.703 743 2HB ASP 95 1HB ASP 95 -7.862 0.280 10.119 744 H LYS 96 H LYS 96 -4.502 -0.988 10.164 745 HA LYS 96 HA LYS 96 -3.233 -1.420 7.599 746 1HB LYS 96 2HB LYS 96 -0.952 -1.621 8.723 747 2HB LYS 96 1HB LYS 96 -1.586 -0.006 8.505 748 1HG LYS 96 2HG LYS 96 -0.512 -0.151 10.653 749 2HG LYS 96 1HG LYS 96 -2.245 0.011 10.902 750 1HD LYS 96 2HD LYS 96 -2.383 -2.418 11.318 751 2HD LYS 96 1HD LYS 96 -0.637 -2.543 11.093 752 1HE LYS 96 2HE LYS 96 -0.275 -1.020 12.964 753 2HE LYS 96 1HE LYS 96 -2.013 -0.866 13.188 754 1HZ LYS 96 1HZ LYS 96 -1.047 -2.398 14.744 755 2HZ LYS 96 2HZ LYS 96 -0.455 -3.391 13.516 756 3HZ LYS 96 3HZ LYS 96 -2.115 -3.213 13.747 757 H VAL 97 H VAL 97 -2.231 -3.414 7.282 758 HA VAL 97 HA VAL 97 -3.022 -5.536 9.174 759 HB VAL 97 HB VAL 97 -3.106 -5.715 6.139 760 1HG1 VAL 97 1HG1 VAL 97 -2.535 -7.841 7.171 761 2HG1 VAL 97 2HG1 VAL 97 -4.160 -7.901 6.489 762 3HG1 VAL 97 3HG1 VAL 97 -3.942 -7.721 8.230 763 1HG2 VAL 97 1HG2 VAL 97 -4.926 -4.338 6.964 764 2HG2 VAL 97 2HG2 VAL 97 -5.386 -5.599 8.108 765 3HG2 VAL 97 3HG2 VAL 97 -5.543 -5.881 6.374 766 H VAL 98 H VAL 98 -1.301 -6.757 9.748 767 HA VAL 98 HA VAL 98 1.059 -6.558 8.060 768 HB VAL 98 HB VAL 98 1.334 -5.548 10.272 769 1HG1 VAL 98 1HG1 VAL 98 -0.229 -6.829 11.563 770 2HG1 VAL 98 2HG1 VAL 98 1.367 -6.910 12.313 771 3HG1 VAL 98 3HG1 VAL 98 0.758 -8.279 11.382 772 1HG2 VAL 98 1HG2 VAL 98 3.289 -6.500 9.207 773 2HG2 VAL 98 2HG2 VAL 98 2.925 -8.078 9.903 774 3HG2 VAL 98 3HG2 VAL 98 3.382 -6.737 10.951 775 H GLY 99 H GLY 99 1.923 -8.340 7.261 776 1HA GLY 99 2HA GLY 99 2.501 -10.633 7.285 777 2HA GLY 99 1HA GLY 99 1.114 -10.939 8.334 778 H ALA 100 H ALA 100 1.873 -12.127 5.674 779 HA ALA 100 HA ALA 100 -0.169 -11.049 3.941 780 1HB ALA 100 1HB ALA 100 0.482 -12.836 2.386 781 2HB ALA 100 2HB ALA 100 1.527 -13.528 3.632 782 3HB ALA 100 3HB ALA 100 1.890 -11.939 2.959 783 H LYS 101 H LYS 101 -2.169 -11.385 4.520 784 HA LYS 101 HA LYS 101 -3.010 -14.053 5.342 785 1HB LYS 101 2HB LYS 101 -4.154 -11.374 6.097 786 2HB LYS 101 1HB LYS 101 -4.650 -12.958 6.680 787 1HG LYS 101 2HG LYS 101 -1.957 -11.670 7.241 788 2HG LYS 101 1HG LYS 101 -3.360 -11.755 8.297 789 1HD LYS 101 2HD LYS 101 -2.094 -14.158 7.199 790 2HD LYS 101 1HD LYS 101 -1.528 -13.449 8.714 791 1HE LYS 101 2HE LYS 101 -4.318 -14.461 8.109 792 2HE LYS 101 1HE LYS 101 -3.130 -15.255 9.138 793 1HZ LYS 101 1HZ LYS 101 -4.364 -12.584 9.679 794 2HZ LYS 101 2HZ LYS 101 -3.226 -13.337 10.650 795 3HZ LYS 101 3HZ LYS 101 -4.740 -14.031 10.439 796 H LYS 102 H LYS 102 -4.138 -14.809 3.489 797 HA LYS 102 HA LYS 102 -4.958 -13.021 1.486 798 1HB LYS 102 2HB LYS 102 -4.145 -15.333 1.177 799 2HB LYS 102 1HB LYS 102 -5.620 -15.908 1.921 800 1HG LYS 102 2HG LYS 102 -5.586 -14.275 -0.582 801 2HG LYS 102 1HG LYS 102 -5.418 -16.031 -0.546 802 1HD LYS 102 2HD LYS 102 -7.646 -16.183 0.557 803 2HD LYS 102 1HD LYS 102 -7.780 -14.431 0.479 804 1HE LYS 102 2HE LYS 102 -7.713 -14.513 -1.956 805 2HE LYS 102 1HE LYS 102 -7.525 -16.264 -1.898 806 1HZ LYS 102 1HZ LYS 102 -9.802 -15.607 -2.360 807 2HZ LYS 102 2HZ LYS 102 -9.882 -14.744 -0.920 808 3HZ LYS 102 3HZ LYS 102 -9.732 -16.418 -0.883 809 H ASP 103 H ASP 103 -6.815 -14.990 3.805 810 HA ASP 103 HA ASP 103 -9.304 -13.970 2.855 811 1HB ASP 103 2HB ASP 103 -9.203 -16.201 3.805 812 2HB ASP 103 1HB ASP 103 -8.708 -15.542 5.363 813 H GLU 104 H GLU 104 -7.333 -13.322 5.678 814 HA GLU 104 HA GLU 104 -9.185 -11.589 6.904 815 1HB GLU 104 2HB GLU 104 -7.454 -12.634 8.217 816 2HB GLU 104 1HB GLU 104 -6.205 -11.842 7.272 817 1HG GLU 104 2HG GLU 104 -6.788 -9.709 8.181 818 2HG GLU 104 1HG GLU 104 -8.191 -10.390 9.001 819 H LEU 105 H LEU 105 -6.688 -10.994 4.506 820 HA LEU 105 HA LEU 105 -6.620 -8.185 4.609 821 1HB LEU 105 2HB LEU 105 -5.145 -9.719 3.273 822 2HB LEU 105 1HB LEU 105 -6.464 -9.927 2.188 823 HG LEU 105 HG LEU 105 -6.491 -7.589 1.569 824 1HD1 LEU 105 1HD1 LEU 105 -5.659 -6.582 3.629 825 2HD1 LEU 105 2HD1 LEU 105 -4.674 -6.074 2.262 826 3HD1 LEU 105 3HD1 LEU 105 -4.075 -7.313 3.364 827 1HD2 LEU 105 1HD2 LEU 105 -4.386 -7.532 0.307 828 2HD2 LEU 105 2HD2 LEU 105 -5.130 -9.135 0.265 829 3HD2 LEU 105 3HD2 LEU 105 -3.753 -8.829 1.320 830 H GLN 106 H GLN 106 -8.559 -10.427 2.896 831 HA GLN 106 HA GLN 106 -10.138 -8.590 1.450 832 1HB GLN 106 2HB GLN 106 -10.919 -11.369 2.310 833 2HB GLN 106 1HB GLN 106 -11.776 -10.410 1.113 834 1HG GLN 106 2HG GLN 106 -9.711 -10.338 -0.235 835 2HG GLN 106 1HG GLN 106 -8.957 -11.424 0.930 836 1HE2 GLN 106 1HE2 GLN 106 -11.260 -11.093 -1.588 837 2HE2 GLN 106 2HE2 GLN 106 -11.549 -12.769 -1.849 838 H SER 107 H SER 107 -10.491 -9.789 4.687 839 HA SER 107 HA SER 107 -13.058 -8.681 5.125 840 1HB SER 107 2HB SER 107 -10.866 -9.346 7.107 841 2HB SER 107 1HB SER 107 -12.565 -9.064 7.501 842 HG SER 107 HG SER 107 -11.632 -11.344 7.053 843 H THR 108 H THR 108 -9.796 -7.464 5.267 844 HA THR 108 HA THR 108 -10.493 -4.979 6.447 845 HB THR 108 HB THR 108 -8.032 -5.796 4.882 846 HG1 THR 108 1HG THR 108 -8.852 -6.628 7.179 847 1HG2 THR 108 1HG2 THR 108 -6.950 -3.861 5.950 848 2HG2 THR 108 2HG2 THR 108 -8.462 -3.414 6.722 849 3HG2 THR 108 3HG2 THR 108 -8.311 -3.333 4.967 850 H ILE 109 H ILE 109 -10.272 -6.237 3.197 851 HA ILE 109 HA ILE 109 -10.622 -3.806 1.809 852 HB ILE 109 HB ILE 109 -11.666 -6.563 1.036 853 1HG1 ILE 109 2HG1 ILE 109 -9.064 -5.198 0.298 854 2HG1 ILE 109 1HG1 ILE 109 -9.228 -6.527 1.438 855 1HG2 ILE 109 1HG2 ILE 109 -12.733 -4.773 -0.246 856 2HG2 ILE 109 2HG2 ILE 109 -11.635 -5.699 -1.276 857 3HG2 ILE 109 3HG2 ILE 109 -11.151 -4.116 -0.668 858 1HD1 ILE 109 1HD1 ILE 109 -10.024 -7.966 -0.404 859 2HD1 ILE 109 2HD1 ILE 109 -8.414 -7.313 -0.693 860 3HD1 ILE 109 3HD1 ILE 109 -9.809 -6.610 -1.510 861 H ALA 110 H ALA 110 -12.920 -6.218 2.989 862 HA ALA 110 HA ALA 110 -15.313 -4.885 2.400 863 1HB ALA 110 1HB ALA 110 -14.743 -6.770 4.683 864 2HB ALA 110 2HB ALA 110 -15.176 -7.250 3.041 865 3HB ALA 110 3HB ALA 110 -16.335 -6.371 4.040 866 H LYS 111 H LYS 111 -13.138 -4.551 5.092 867 HA LYS 111 HA LYS 111 -14.593 -2.967 6.903 868 1HB LYS 111 2HB LYS 111 -12.226 -3.917 7.065 869 2HB LYS 111 1HB LYS 111 -11.816 -2.542 6.084 870 1HG LYS 111 2HG LYS 111 -12.659 -0.996 7.809 871 2HG LYS 111 1HG LYS 111 -12.940 -2.370 8.873 872 1HD LYS 111 2HD LYS 111 -10.268 -1.493 7.755 873 2HD LYS 111 1HD LYS 111 -10.827 -1.263 9.405 874 1HE LYS 111 2HE LYS 111 -10.845 -3.674 9.755 875 2HE LYS 111 1HE LYS 111 -10.385 -3.942 8.079 876 1HZ LYS 111 1HZ LYS 111 -8.737 -2.619 10.167 877 2HZ LYS 111 2HZ LYS 111 -8.323 -2.666 8.548 878 3HZ LYS 111 3HZ LYS 111 -8.431 -4.112 9.429 879 H HIS 112 H HIS 112 -12.832 -2.213 4.003 880 HA HIS 112 HA HIS 112 -13.338 0.594 4.234 881 1HB HIS 112 2HB HIS 112 -11.764 -1.068 2.321 882 2HB HIS 112 1HB HIS 112 -12.110 0.621 2.004 883 HD1 HIS 112 1HD HIS 112 -10.618 2.300 3.124 884 HD2 HIS 112 2HD HIS 112 -10.173 -1.488 4.754 885 HE1 HIS 112 1HE HIS 112 -8.646 2.448 4.666 886 HE2 HIS 112 2HE HIS 112 -8.706 0.296 5.912 887 H LEU 113 H LEU 113 -15.215 -2.009 2.981 888 HA LEU 113 HA LEU 113 -16.336 -0.459 0.937 889 1HB LEU 113 2HB LEU 113 -16.554 -3.118 2.055 890 2HB LEU 113 1HB LEU 113 -18.057 -2.478 1.462 891 HG LEU 113 HG LEU 113 -16.959 -3.889 -0.191 892 1HD1 LEU 113 1HD1 LEU 113 -16.874 -0.982 -1.003 893 2HD1 LEU 113 2HD1 LEU 113 -18.277 -2.042 -1.042 894 3HD1 LEU 113 3HD1 LEU 113 -16.910 -2.355 -2.109 895 1HD2 LEU 113 1HD2 LEU 113 -14.644 -3.612 0.491 896 2HD2 LEU 113 2HD2 LEU 113 -14.666 -1.938 -0.062 897 3HD2 LEU 113 3HD2 LEU 113 -14.828 -3.254 -1.227 898 H ALA 114 H ALA 114 -16.951 1.377 1.986 899 HA ALA 114 HA ALA 114 -19.518 1.276 3.240 900 1HB ALA 114 1HB ALA 114 -17.133 2.486 4.664 901 2HB ALA 114 2HB ALA 114 -18.022 1.061 5.188 902 3HB ALA 114 3HB ALA 114 -18.812 2.641 5.178 Start of MODEL 8 1 H MET 1 H MET 1 -9.856 5.156 -22.266 2 HA MET 1 HA MET 1 -8.807 7.881 -21.894 3 1HB MET 1 2HB MET 1 -9.207 5.740 -19.796 4 2HB MET 1 1HB MET 1 -8.711 7.397 -19.531 5 1HG MET 1 2HG MET 1 -10.897 8.184 -20.242 6 2HG MET 1 1HG MET 1 -11.396 6.523 -20.562 7 1HE MET 1 1HE MET 1 -13.504 6.644 -19.052 8 2HE MET 1 2HE MET 1 -13.163 8.352 -18.776 9 3HE MET 1 3HE MET 1 -13.511 7.288 -17.413 10 H ALA 2 H ALA 2 -6.824 7.496 -20.249 11 HA ALA 2 HA ALA 2 -5.024 5.616 -21.562 12 1HB ALA 2 1HB ALA 2 -4.248 7.950 -21.393 13 2HB ALA 2 2HB ALA 2 -3.238 6.876 -20.426 14 3HB ALA 2 3HB ALA 2 -4.455 7.882 -19.643 15 H SER 3 H SER 3 -3.386 4.697 -19.841 16 HA SER 3 HA SER 3 -5.044 3.247 -18.029 17 1HB SER 3 2HB SER 3 -3.174 2.141 -19.224 18 2HB SER 3 1HB SER 3 -2.029 3.148 -18.337 19 HG SER 3 HG SER 3 -3.949 1.638 -16.977 20 H GLU 4 H GLU 4 -5.475 3.735 -16.062 21 HA GLU 4 HA GLU 4 -3.626 5.292 -14.402 22 1HB GLU 4 2HB GLU 4 -5.318 6.858 -15.436 23 2HB GLU 4 1HB GLU 4 -6.589 5.921 -14.682 24 1HG GLU 4 2HG GLU 4 -6.154 7.961 -13.427 25 2HG GLU 4 1HG GLU 4 -5.743 6.544 -12.469 26 H GLU 5 H GLU 5 -4.896 2.524 -14.887 27 HA GLU 5 HA GLU 5 -5.561 1.997 -12.104 28 1HB GLU 5 2HB GLU 5 -7.237 0.369 -12.781 29 2HB GLU 5 1HB GLU 5 -7.633 1.922 -13.478 30 1HG GLU 5 2HG GLU 5 -6.328 -0.367 -14.950 31 2HG GLU 5 1HG GLU 5 -8.040 0.028 -15.002 32 H GLY 6 H GLY 6 -4.958 -0.135 -11.435 33 1HA GLY 6 2HA GLY 6 -3.752 -2.113 -11.524 34 2HA GLY 6 1HA GLY 6 -3.470 -1.829 -13.235 35 H GLN 7 H GLN 7 -2.638 0.949 -11.896 36 HA GLN 7 HA GLN 7 0.113 0.119 -11.781 37 1HB GLN 7 2HB GLN 7 0.601 2.582 -12.019 38 2HB GLN 7 1HB GLN 7 0.051 1.642 -13.396 39 1HG GLN 7 2HG GLN 7 -2.206 2.587 -13.120 40 2HG GLN 7 1HG GLN 7 -1.670 3.457 -11.684 41 1HE2 GLN 7 1HE2 GLN 7 -0.438 5.295 -11.922 42 2HE2 GLN 7 2HE2 GLN 7 -0.224 6.085 -13.430 43 H VAL 8 H VAL 8 1.227 0.246 -10.278 44 HA VAL 8 HA VAL 8 0.399 1.590 -7.794 45 HB VAL 8 HB VAL 8 2.115 -0.895 -8.045 46 1HG1 VAL 8 1HG1 VAL 8 2.573 0.344 -6.056 47 2HG1 VAL 8 2HG1 VAL 8 1.632 -1.110 -5.632 48 3HG1 VAL 8 3HG1 VAL 8 0.854 0.461 -5.696 49 1HG2 VAL 8 1HG2 VAL 8 -0.800 -0.729 -7.288 50 2HG2 VAL 8 2HG2 VAL 8 0.201 -2.177 -7.194 51 3HG2 VAL 8 3HG2 VAL 8 -0.144 -1.443 -8.760 52 H ILE 9 H ILE 9 2.060 2.881 -6.831 53 HA ILE 9 HA ILE 9 4.316 3.324 -8.591 54 HB ILE 9 HB ILE 9 3.422 4.829 -6.131 55 1HG1 ILE 9 2HG1 ILE 9 1.848 5.078 -7.984 56 2HG1 ILE 9 1HG1 ILE 9 2.760 6.559 -7.732 57 1HG2 ILE 9 1HG2 ILE 9 5.036 6.557 -6.821 58 2HG2 ILE 9 2HG2 ILE 9 5.597 5.513 -8.121 59 3HG2 ILE 9 3HG2 ILE 9 5.839 5.034 -6.440 60 1HD1 ILE 9 1HD1 ILE 9 4.167 6.044 -9.650 61 2HD1 ILE 9 2HD1 ILE 9 2.464 6.086 -10.096 62 3HD1 ILE 9 3HD1 ILE 9 3.279 4.539 -9.909 63 H ALA 10 H ALA 10 6.095 2.140 -8.239 64 HA ALA 10 HA ALA 10 6.615 1.168 -5.541 65 1HB ALA 10 1HB ALA 10 6.676 -0.484 -7.360 66 2HB ALA 10 2HB ALA 10 8.262 -0.300 -6.612 67 3HB ALA 10 3HB ALA 10 7.928 0.461 -8.168 68 H CYS 11 H CYS 11 7.716 2.606 -4.341 69 HA CYS 11 HA CYS 11 9.669 4.222 -5.685 70 1HB CYS 11 2HB CYS 11 9.716 5.342 -3.447 71 2HB CYS 11 1HB CYS 11 8.310 5.653 -4.441 72 HG CYS 11 HG CYS 11 8.510 3.426 -1.836 73 H HIS 12 H HIS 12 11.706 4.083 -5.336 74 HA HIS 12 HA HIS 12 12.671 2.180 -3.336 75 1HB HIS 12 2HB HIS 12 14.018 3.151 -5.875 76 2HB HIS 12 1HB HIS 12 14.725 2.032 -4.720 77 HD1 HIS 12 1HD HIS 12 14.047 -0.433 -4.904 78 HD2 HIS 12 2HD HIS 12 11.905 2.071 -7.451 79 HE1 HIS 12 1HE HIS 12 12.769 -1.947 -6.436 80 HE2 HIS 12 2HE HIS 12 11.539 -0.409 -8.021 81 H THR 13 H THR 13 12.123 5.398 -3.818 82 HA THR 13 HA THR 13 14.438 6.106 -2.208 83 HB THR 13 HB THR 13 14.384 8.360 -3.335 84 HG1 THR 13 1HG THR 13 13.332 8.474 -5.332 85 1HG2 THR 13 1HG2 THR 13 16.056 6.684 -3.964 86 2HG2 THR 13 2HG2 THR 13 15.562 7.647 -5.357 87 3HG2 THR 13 3HG2 THR 13 14.937 6.009 -5.147 88 H VAL 14 H VAL 14 14.079 7.744 -0.669 89 HA VAL 14 HA VAL 14 11.461 7.607 0.425 90 HB VAL 14 HB VAL 14 13.443 7.621 1.864 91 1HG1 VAL 14 1HG1 VAL 14 14.894 9.138 0.707 92 2HG1 VAL 14 2HG1 VAL 14 14.664 9.704 2.360 93 3HG1 VAL 14 3HG1 VAL 14 13.809 10.490 1.033 94 1HG2 VAL 14 1HG2 VAL 14 11.585 9.939 2.395 95 2HG2 VAL 14 2HG2 VAL 14 12.649 9.206 3.594 96 3HG2 VAL 14 3HG2 VAL 14 11.345 8.259 2.878 97 H GLU 15 H GLU 15 13.149 9.920 -1.523 98 HA GLU 15 HA GLU 15 11.538 12.167 -0.949 99 1HB GLU 15 2HB GLU 15 13.784 12.137 -2.139 100 2HB GLU 15 1HB GLU 15 12.910 11.601 -3.569 101 1HG GLU 15 2HG GLU 15 13.284 13.984 -3.674 102 2HG GLU 15 1HG GLU 15 11.560 13.655 -3.485 103 H THR 16 H THR 16 11.414 9.720 -3.536 104 HA THR 16 HA THR 16 9.057 10.643 -4.753 105 HB THR 16 HB THR 16 10.184 7.831 -4.628 106 HG1 THR 16 1HG THR 16 10.598 10.068 -6.309 107 1HG2 THR 16 1HG2 THR 16 8.922 7.439 -6.708 108 2HG2 THR 16 2HG2 THR 16 8.258 9.065 -6.618 109 3HG2 THR 16 3HG2 THR 16 7.826 7.873 -5.392 110 H TRP 17 H TRP 17 9.648 8.284 -2.187 111 HA TRP 17 HA TRP 17 7.110 7.376 -1.639 112 1HB TRP 17 2HB TRP 17 8.948 6.385 -0.516 113 2HB TRP 17 1HB TRP 17 9.515 7.941 0.063 114 HD1 TRP 17 HD TRP 17 9.185 8.242 2.542 115 HE1 TRP 17 1HE TRP 17 7.550 7.417 4.317 116 HE3 TRP 17 3HE TRP 17 6.105 5.500 -0.454 117 HZ2 TRP 17 2HZ TRP 17 5.234 5.811 4.434 118 HZ3 TRP 17 3HZ TRP 17 4.189 4.358 0.576 119 HH2 TRP 17 HH TRP 17 3.768 4.516 2.976 120 H ASN 18 H ASN 18 8.712 10.183 -0.171 121 HA ASN 18 HA ASN 18 6.485 11.047 1.335 122 1HB ASN 18 2HB ASN 18 8.820 11.686 1.803 123 2HB ASN 18 1HB ASN 18 8.839 12.636 0.333 124 1HD2 ASN 18 1HD2 ASN 18 9.293 14.502 1.462 125 2HD2 ASN 18 2HD2 ASN 18 8.105 15.349 2.379 126 H GLU 19 H GLU 19 7.682 11.893 -1.832 127 HA GLU 19 HA GLU 19 5.984 14.065 -2.363 128 1HB GLU 19 2HB GLU 19 7.987 13.615 -3.667 129 2HB GLU 19 1HB GLU 19 7.275 12.136 -4.273 130 1HG GLU 19 2HG GLU 19 5.630 13.356 -5.502 131 2HG GLU 19 1HG GLU 19 6.166 14.876 -4.783 132 H GLN 20 H GLN 20 5.440 10.547 -2.978 133 HA GLN 20 HA GLN 20 3.072 11.020 -4.328 134 1HB GLN 20 2HB GLN 20 4.352 8.741 -3.041 135 2HB GLN 20 1HB GLN 20 2.776 8.565 -3.792 136 1HG GLN 20 2HG GLN 20 5.364 9.417 -5.126 137 2HG GLN 20 1HG GLN 20 4.596 7.841 -5.298 138 1HE2 GLN 20 1HE2 GLN 20 4.501 8.103 -7.562 139 2HE2 GLN 20 2HE2 GLN 20 3.360 9.129 -8.322 140 H LEU 21 H LEU 21 3.877 10.445 -0.899 141 HA LEU 21 HA LEU 21 1.296 10.200 0.024 142 1HB LEU 21 2HB LEU 21 3.822 11.233 1.098 143 2HB LEU 21 1HB LEU 21 2.406 11.018 2.083 144 HG LEU 21 HG LEU 21 4.061 8.874 0.722 145 1HD1 LEU 21 1HD1 LEU 21 3.596 9.465 3.633 146 2HD1 LEU 21 2HD1 LEU 21 5.070 9.796 2.724 147 3HD1 LEU 21 3HD1 LEU 21 4.548 8.129 2.988 148 1HD2 LEU 21 1HD2 LEU 21 1.696 8.233 0.661 149 2HD2 LEU 21 2HD2 LEU 21 1.560 8.549 2.389 150 3HD2 LEU 21 3HD2 LEU 21 2.584 7.234 1.813 151 H GLN 22 H GLN 22 3.445 12.889 -0.513 152 HA GLN 22 HA GLN 22 1.931 15.009 0.404 153 1HB GLN 22 2HB GLN 22 4.232 15.247 -0.391 154 2HB GLN 22 1HB GLN 22 3.716 14.889 -2.027 155 1HG GLN 22 2HG GLN 22 2.363 16.951 -2.017 156 2HG GLN 22 1HG GLN 22 2.975 17.319 -0.406 157 1HE2 GLN 22 1HE2 GLN 22 5.133 17.875 -0.168 158 2HE2 GLN 22 2HE2 GLN 22 6.104 18.378 -1.514 159 H LYS 23 H LYS 23 1.916 13.478 -2.790 160 HA LYS 23 HA LYS 23 -0.208 15.035 -3.785 161 1HB LYS 23 2HB LYS 23 0.958 12.428 -4.707 162 2HB LYS 23 1HB LYS 23 -0.442 13.140 -5.503 163 1HG LYS 23 2HG LYS 23 2.223 14.505 -5.159 164 2HG LYS 23 1HG LYS 23 1.680 13.698 -6.636 165 1HD LYS 23 2HD LYS 23 -0.227 15.200 -6.778 166 2HD LYS 23 1HD LYS 23 0.256 16.018 -5.301 167 1HE LYS 23 2HE LYS 23 2.315 16.737 -6.406 168 2HE LYS 23 1HE LYS 23 1.781 15.942 -7.888 169 1HZ LYS 23 1HZ LYS 23 0.270 18.097 -6.506 170 2HZ LYS 23 2HZ LYS 23 -0.120 17.390 -7.985 171 3HZ LYS 23 3HZ LYS 23 1.264 18.338 -7.845 172 H ALA 24 H ALA 24 -0.250 11.946 -2.108 173 HA ALA 24 HA ALA 24 -3.013 11.501 -2.409 174 1HB ALA 24 1HB ALA 24 -1.220 10.712 -0.108 175 2HB ALA 24 2HB ALA 24 -1.464 9.777 -1.581 176 3HB ALA 24 3HB ALA 24 -2.804 10.026 -0.460 177 H ASN 25 H ASN 25 -1.151 13.318 -0.102 178 HA ASN 25 HA ASN 25 -3.197 14.087 1.720 179 1HB ASN 25 2HB ASN 25 -0.712 14.240 2.074 180 2HB ASN 25 1HB ASN 25 -0.690 15.508 0.912 181 1HD2 ASN 25 1HD2 ASN 25 0.151 16.965 2.387 182 2HD2 ASN 25 2HD2 ASN 25 -0.833 17.737 3.568 183 H GLU 26 H GLU 26 -1.567 15.770 -0.814 184 HA GLU 26 HA GLU 26 -3.019 18.165 -0.741 185 1HB GLU 26 2HB GLU 26 -0.822 18.135 -1.714 186 2HB GLU 26 1HB GLU 26 -1.302 16.961 -2.911 187 1HG GLU 26 2HG GLU 26 -2.549 19.688 -2.923 188 2HG GLU 26 1HG GLU 26 -0.922 19.469 -3.550 189 H SER 27 H SER 27 -3.560 15.344 -2.843 190 HA SER 27 HA SER 27 -5.824 16.740 -3.933 191 1HB SER 27 2HB SER 27 -4.564 14.110 -4.606 192 2HB SER 27 1HB SER 27 -5.911 14.842 -5.482 193 HG SER 27 HG SER 27 -4.010 16.675 -5.196 194 H LYS 28 H LYS 28 -5.351 15.115 -1.187 195 HA LYS 28 HA LYS 28 -6.635 14.070 0.342 196 1HB LYS 28 2HB LYS 28 -8.774 15.200 -1.359 197 2HB LYS 28 1HB LYS 28 -9.094 14.528 0.239 198 1HG LYS 28 2HG LYS 28 -7.602 16.252 1.201 199 2HG LYS 28 1HG LYS 28 -7.376 16.928 -0.414 200 1HD LYS 28 2HD LYS 28 -9.764 17.400 -0.547 201 2HD LYS 28 1HD LYS 28 -10.005 16.699 1.057 202 1HE LYS 28 2HE LYS 28 -8.539 18.402 2.016 203 2HE LYS 28 1HE LYS 28 -8.293 19.101 0.416 204 1HZ LYS 28 1HZ LYS 28 -10.651 19.597 0.320 205 2HZ LYS 28 2HZ LYS 28 -9.969 20.309 1.683 206 3HZ LYS 28 3HZ LYS 28 -10.894 18.923 1.842 207 H THR 29 H THR 29 -5.782 12.581 -1.904 208 HA THR 29 HA THR 29 -7.933 10.785 -2.614 209 HB THR 29 HB THR 29 -5.043 10.609 -3.287 210 HG1 THR 29 1HG THR 29 -7.042 12.300 -4.104 211 1HG2 THR 29 1HG2 THR 29 -7.488 9.506 -4.691 212 2HG2 THR 29 2HG2 THR 29 -6.310 8.575 -3.767 213 3HG2 THR 29 3HG2 THR 29 -5.834 9.347 -5.282 214 H LEU 30 H LEU 30 -7.941 8.747 -2.081 215 HA LEU 30 HA LEU 30 -6.947 8.031 0.480 216 1HB LEU 30 2HB LEU 30 -9.204 7.386 -0.393 217 2HB LEU 30 1HB LEU 30 -8.449 6.363 -1.580 218 HG LEU 30 HG LEU 30 -8.381 5.852 1.416 219 1HD1 LEU 30 1HD1 LEU 30 -10.044 4.141 0.941 220 2HD1 LEU 30 2HD1 LEU 30 -10.110 4.663 -0.741 221 3HD1 LEU 30 3HD1 LEU 30 -10.643 5.751 0.542 222 1HD2 LEU 30 1HD2 LEU 30 -7.738 4.036 -0.910 223 2HD2 LEU 30 2HD2 LEU 30 -7.686 3.602 0.797 224 3HD2 LEU 30 3HD2 LEU 30 -6.539 4.776 0.149 225 H VAL 31 H VAL 31 -5.181 6.619 0.918 226 HA VAL 31 HA VAL 31 -3.735 5.643 -1.402 227 HB VAL 31 HB VAL 31 -2.690 7.716 -0.646 228 1HG1 VAL 31 1HG1 VAL 31 -3.384 7.762 1.666 229 2HG1 VAL 31 2HG1 VAL 31 -1.633 7.931 1.547 230 3HG1 VAL 31 3HG1 VAL 31 -2.338 6.384 2.022 231 1HG2 VAL 31 1HG2 VAL 31 -1.036 5.295 0.053 232 2HG2 VAL 31 2HG2 VAL 31 -0.392 6.903 -0.276 233 3HG2 VAL 31 3HG2 VAL 31 -1.220 6.006 -1.549 234 H VAL 32 H VAL 32 -3.021 3.627 -1.259 235 HA VAL 32 HA VAL 32 -3.014 2.337 1.372 236 HB VAL 32 HB VAL 32 -3.692 1.065 -1.254 237 1HG1 VAL 32 1HG1 VAL 32 -2.516 -0.462 0.270 238 2HG1 VAL 32 2HG1 VAL 32 -4.197 -0.968 0.081 239 3HG1 VAL 32 3HG1 VAL 32 -3.688 -0.111 1.539 240 1HG2 VAL 32 1HG2 VAL 32 -5.957 0.726 -0.322 241 2HG2 VAL 32 2HG2 VAL 32 -5.533 2.433 -0.461 242 3HG2 VAL 32 3HG2 VAL 32 -5.471 1.634 1.108 243 H VAL 33 H VAL 33 -1.095 1.619 1.932 244 HA VAL 33 HA VAL 33 0.913 1.506 -0.195 245 HB VAL 33 HB VAL 33 1.381 2.031 2.746 246 1HG1 VAL 33 1HG1 VAL 33 3.247 2.172 0.383 247 2HG1 VAL 33 2HG1 VAL 33 3.255 0.945 1.642 248 3HG1 VAL 33 3HG1 VAL 33 3.652 2.616 2.041 249 1HG2 VAL 33 1HG2 VAL 33 1.409 3.953 0.413 250 2HG2 VAL 33 2HG2 VAL 33 1.859 4.346 2.074 251 3HG2 VAL 33 3HG2 VAL 33 0.199 3.896 1.692 252 H ASP 34 H ASP 34 1.986 -0.281 -0.530 253 HA ASP 34 HA ASP 34 1.609 -2.596 1.217 254 1HB ASP 34 2HB ASP 34 0.940 -2.913 -1.099 255 2HB ASP 34 1HB ASP 34 2.474 -2.280 -1.660 256 H PHE 35 H PHE 35 3.258 -2.641 2.666 257 HA PHE 35 HA PHE 35 5.912 -1.869 1.805 258 1HB PHE 35 2HB PHE 35 4.793 -2.692 4.473 259 2HB PHE 35 1HB PHE 35 6.438 -2.176 4.176 260 HD1 PHE 35 1HD PHE 35 6.870 0.213 3.546 261 HD2 PHE 35 2HD PHE 35 3.043 -1.138 4.825 262 HE1 PHE 35 1HE PHE 35 6.223 2.533 4.055 263 HE2 PHE 35 2HE PHE 35 2.388 1.174 5.326 264 HZ PHE 35 HZ PHE 35 3.981 3.016 4.946 265 H THR 36 H THR 36 7.170 -3.458 1.073 266 HA THR 36 HA THR 36 6.703 -6.171 2.021 267 HB THR 36 HB THR 36 5.348 -5.877 -0.033 268 HG1 THR 36 1HG THR 36 6.294 -7.607 -1.215 269 1HG2 THR 36 1HG2 THR 36 7.991 -5.245 -1.366 270 2HG2 THR 36 2HG2 THR 36 6.674 -4.106 -1.095 271 3HG2 THR 36 3HG2 THR 36 6.446 -5.466 -2.193 272 H ALA 37 H ALA 37 8.421 -7.559 0.880 273 HA ALA 37 HA ALA 37 10.958 -6.140 0.613 274 1HB ALA 37 1HB ALA 37 12.077 -7.964 1.862 275 2HB ALA 37 2HB ALA 37 10.496 -8.666 2.216 276 3HB ALA 37 3HB ALA 37 10.925 -7.090 2.872 277 H SER 38 H SER 38 11.979 -6.744 -1.159 278 HA SER 38 HA SER 38 10.705 -8.327 -3.072 279 1HB SER 38 2HB SER 38 13.616 -7.514 -3.014 280 2HB SER 38 1HB SER 38 12.674 -7.957 -4.435 281 HG SER 38 HG SER 38 12.358 -5.691 -2.760 282 H TRP 39 H TRP 39 13.112 -9.187 -0.680 283 HA TRP 39 HA TRP 39 13.562 -11.798 -1.844 284 1HB TRP 39 2HB TRP 39 15.091 -12.101 0.186 285 2HB TRP 39 1HB TRP 39 15.517 -10.817 -0.927 286 HD1 TRP 39 HD TRP 39 15.897 -8.552 0.064 287 HE1 TRP 39 1HE TRP 39 15.599 -7.431 2.376 288 HE3 TRP 39 3HE TRP 39 13.328 -12.275 2.423 289 HZ2 TRP 39 2HZ TRP 39 14.405 -8.065 4.861 290 HZ3 TRP 39 3HZ TRP 39 12.645 -11.944 4.764 291 HH2 TRP 39 HH TRP 39 13.175 -9.883 5.953 292 H CYS 40 H CYS 40 11.000 -10.731 -0.366 293 HA CYS 40 HA CYS 40 10.739 -12.837 1.622 294 1HB CYS 40 2HB CYS 40 10.147 -10.693 2.404 295 2HB CYS 40 1HB CYS 40 9.116 -10.372 1.018 296 H GLY 41 H GLY 41 9.693 -14.626 1.231 297 1HA GLY 41 2HA GLY 41 8.631 -15.291 -1.308 298 2HA GLY 41 1HA GLY 41 8.549 -16.290 0.135 299 HA PRO 42 HA PRO 42 4.204 -15.534 0.766 300 1HB PRO 42 2HB PRO 42 4.032 -13.949 3.068 301 2HB PRO 42 1HB PRO 42 4.114 -15.712 3.048 302 1HG PRO 42 2HG PRO 42 6.292 -13.717 3.488 303 2HG PRO 42 1HG PRO 42 6.035 -15.290 4.264 304 1HD PRO 42 2HD PRO 42 7.888 -14.961 2.369 305 2HD PRO 42 1HD PRO 42 6.931 -16.456 2.463 306 H CYS 43 H CYS 43 6.217 -12.718 1.113 307 HA CYS 43 HA CYS 43 4.257 -10.733 0.632 308 1HB CYS 43 2HB CYS 43 7.224 -10.641 0.089 309 2HB CYS 43 1HB CYS 43 6.161 -9.253 0.274 310 H ARG 44 H ARG 44 6.497 -12.516 -1.443 311 HA ARG 44 HA ARG 44 5.890 -11.254 -3.887 312 1HB ARG 44 2HB ARG 44 7.929 -12.607 -3.383 313 2HB ARG 44 1HB ARG 44 6.947 -14.028 -3.228 314 1HG ARG 44 2HG ARG 44 7.117 -12.587 -5.868 315 2HG ARG 44 1HG ARG 44 8.428 -13.621 -5.347 316 1HD ARG 44 2HD ARG 44 7.106 -14.991 -6.730 317 2HD ARG 44 1HD ARG 44 6.647 -15.455 -5.102 318 HE ARG 44 HE ARG 44 4.981 -13.455 -6.337 319 1HH1 ARG 44 1HH1 ARG 44 5.396 -16.932 -5.704 320 2HH1 ARG 44 2HH1 ARG 44 3.803 -17.310 -6.166 321 1HH2 ARG 44 1HH2 ARG 44 2.878 -13.986 -6.903 322 2HH2 ARG 44 2HH2 ARG 44 2.289 -15.593 -6.843 323 H PHE 45 H PHE 45 4.639 -14.019 -2.175 324 HA PHE 45 HA PHE 45 2.831 -14.951 -4.121 325 1HB PHE 45 2HB PHE 45 3.541 -16.390 -2.338 326 2HB PHE 45 1HB PHE 45 2.879 -15.303 -1.127 327 HD1 PHE 45 1HD PHE 45 1.926 -17.502 -3.945 328 HD2 PHE 45 2HD PHE 45 0.678 -15.586 -0.350 329 HE1 PHE 45 1HE PHE 45 -0.184 -18.761 -3.999 330 HE2 PHE 45 2HE PHE 45 -1.420 -16.842 -0.403 331 HZ PHE 45 HZ PHE 45 -1.859 -18.428 -2.224 332 H ILE 46 H ILE 46 2.433 -12.519 -1.603 333 HA ILE 46 HA ILE 46 -0.440 -12.457 -2.012 334 HB ILE 46 HB ILE 46 0.636 -12.203 0.268 335 1HG1 ILE 46 2HG1 ILE 46 -0.848 -10.318 1.020 336 2HG1 ILE 46 1HG1 ILE 46 -1.220 -10.025 -0.677 337 1HG2 ILE 46 1HG2 ILE 46 1.486 -10.007 0.930 338 2HG2 ILE 46 2HG2 ILE 46 1.383 -9.481 -0.752 339 3HG2 ILE 46 3HG2 ILE 46 2.481 -10.783 -0.306 340 1HD1 ILE 46 1HD1 ILE 46 -2.947 -11.342 0.392 341 2HD1 ILE 46 2HD1 ILE 46 -1.729 -12.531 0.862 342 3HD1 ILE 46 3HD1 ILE 46 -2.113 -12.299 -0.847 343 H ALA 47 H ALA 47 2.345 -10.817 -3.132 344 HA ALA 47 HA ALA 47 1.548 -8.255 -3.639 345 1HB ALA 47 1HB ALA 47 3.335 -8.090 -5.212 346 2HB ALA 47 2HB ALA 47 3.386 -9.842 -5.405 347 3HB ALA 47 3HB ALA 47 3.838 -9.115 -3.865 348 HA PRO 48 HA PRO 48 0.029 -9.586 -8.207 349 1HB PRO 48 2HB PRO 48 -1.363 -12.057 -7.293 350 2HB PRO 48 1HB PRO 48 -0.618 -11.705 -8.859 351 1HG PRO 48 2HG PRO 48 0.627 -13.276 -7.157 352 2HG PRO 48 1HG PRO 48 1.529 -12.038 -8.054 353 1HD PRO 48 2HD PRO 48 0.626 -12.032 -5.207 354 2HD PRO 48 1HD PRO 48 2.156 -11.466 -5.906 355 H PHE 49 H PHE 49 -1.681 -10.313 -5.201 356 HA PHE 49 HA PHE 49 -4.245 -9.598 -6.207 357 1HB PHE 49 2HB PHE 49 -4.131 -11.071 -4.291 358 2HB PHE 49 1HB PHE 49 -3.282 -9.850 -3.344 359 HD1 PHE 49 1HD PHE 49 -6.499 -10.648 -4.968 360 HD2 PHE 49 2HD PHE 49 -4.472 -8.174 -2.171 361 HE1 PHE 49 1HE PHE 49 -8.655 -9.743 -4.207 362 HE2 PHE 49 2HE PHE 49 -6.623 -7.269 -1.400 363 HZ PHE 49 HZ PHE 49 -8.718 -8.048 -2.417 364 H PHE 50 H PHE 50 -1.669 -7.844 -4.629 365 HA PHE 50 HA PHE 50 -3.243 -5.556 -4.025 366 1HB PHE 50 2HB PHE 50 -1.077 -6.155 -2.897 367 2HB PHE 50 1HB PHE 50 -0.240 -5.724 -4.382 368 HD1 PHE 50 1HD PHE 50 -2.323 -4.424 -1.644 369 HD2 PHE 50 2HD PHE 50 0.283 -3.461 -4.860 370 HE1 PHE 50 1HE PHE 50 -2.207 -2.117 -0.842 371 HE2 PHE 50 2HE PHE 50 0.401 -1.133 -4.054 372 HZ PHE 50 HZ PHE 50 -0.843 -0.461 -2.046 373 H ALA 51 H ALA 51 -1.294 -6.583 -6.724 374 HA ALA 51 HA ALA 51 -1.494 -4.143 -8.209 375 1HB ALA 51 1HB ALA 51 -0.583 -5.451 -10.072 376 2HB ALA 51 2HB ALA 51 -0.861 -6.936 -9.163 377 3HB ALA 51 3HB ALA 51 0.319 -5.759 -8.586 378 H ASP 52 H ASP 52 -3.404 -6.958 -7.820 379 HA ASP 52 HA ASP 52 -5.127 -6.680 -10.108 380 1HB ASP 52 2HB ASP 52 -4.698 -8.790 -8.789 381 2HB ASP 52 1HB ASP 52 -5.584 -8.066 -7.485 382 H LEU 53 H LEU 53 -5.439 -6.066 -6.657 383 HA LEU 53 HA LEU 53 -7.847 -4.765 -6.453 384 1HB LEU 53 2HB LEU 53 -5.896 -5.523 -4.827 385 2HB LEU 53 1HB LEU 53 -5.353 -3.887 -5.056 386 HG LEU 53 HG LEU 53 -7.923 -4.793 -3.960 387 1HD1 LEU 53 1HD1 LEU 53 -6.082 -5.237 -2.434 388 2HD1 LEU 53 2HD1 LEU 53 -6.994 -3.875 -1.777 389 3HD1 LEU 53 3HD1 LEU 53 -5.477 -3.593 -2.625 390 1HD2 LEU 53 1HD2 LEU 53 -6.835 -1.984 -4.117 391 2HD2 LEU 53 2HD2 LEU 53 -8.272 -2.435 -3.206 392 3HD2 LEU 53 3HD2 LEU 53 -8.253 -2.608 -4.966 393 H ALA 54 H ALA 54 -4.676 -3.601 -7.398 394 HA ALA 54 HA ALA 54 -5.205 -0.886 -7.582 395 1HB ALA 54 1HB ALA 54 -3.209 -0.719 -8.948 396 2HB ALA 54 2HB ALA 54 -3.229 -2.459 -9.224 397 3HB ALA 54 3HB ALA 54 -2.943 -1.828 -7.607 398 H LYS 55 H LYS 55 -5.976 -3.449 -9.872 399 HA LYS 55 HA LYS 55 -6.619 -1.582 -11.991 400 1HB LYS 55 2HB LYS 55 -7.378 -4.486 -11.675 401 2HB LYS 55 1HB LYS 55 -7.606 -3.532 -13.127 402 1HG LYS 55 2HG LYS 55 -5.179 -3.282 -13.322 403 2HG LYS 55 1HG LYS 55 -4.975 -4.270 -11.872 404 1HD LYS 55 2HD LYS 55 -6.147 -6.113 -12.990 405 2HD LYS 55 1HD LYS 55 -6.289 -5.131 -14.444 406 1HE LYS 55 2HE LYS 55 -3.854 -5.005 -14.602 407 2HE LYS 55 1HE LYS 55 -3.714 -5.988 -13.144 408 1HZ LYS 55 1HZ LYS 55 -4.844 -7.778 -14.307 409 2HZ LYS 55 2HZ LYS 55 -3.424 -7.321 -15.092 410 3HZ LYS 55 3HZ LYS 55 -4.912 -6.850 -15.720 411 H LYS 56 H LYS 56 -8.251 -3.027 -9.315 412 HA LYS 56 HA LYS 56 -10.913 -2.539 -10.354 413 1HB LYS 56 2HB LYS 56 -9.902 -3.902 -7.875 414 2HB LYS 56 1HB LYS 56 -11.604 -3.763 -8.308 415 1HG LYS 56 2HG LYS 56 -11.294 -5.059 -10.276 416 2HG LYS 56 1HG LYS 56 -9.543 -5.022 -10.087 417 1HD LYS 56 2HD LYS 56 -9.715 -6.350 -8.065 418 2HD LYS 56 1HD LYS 56 -11.476 -6.340 -8.192 419 1HE LYS 56 2HE LYS 56 -11.399 -7.584 -10.241 420 2HE LYS 56 1HE LYS 56 -9.646 -7.435 -10.318 421 1HZ LYS 56 1HZ LYS 56 -9.419 -8.752 -8.427 422 2HZ LYS 56 2HZ LYS 56 -10.387 -9.611 -9.504 423 3HZ LYS 56 3HZ LYS 56 -11.075 -8.874 -8.143 424 H LEU 57 H LEU 57 -8.701 -0.776 -8.761 425 HA LEU 57 HA LEU 57 -9.847 0.416 -6.573 426 1HB LEU 57 2HB LEU 57 -8.262 2.113 -6.784 427 2HB LEU 57 1HB LEU 57 -7.534 0.731 -7.562 428 HG LEU 57 HG LEU 57 -8.699 3.181 -8.912 429 1HD1 LEU 57 1HD1 LEU 57 -5.883 2.182 -8.776 430 2HD1 LEU 57 2HD1 LEU 57 -6.552 3.580 -7.937 431 3HD1 LEU 57 3HD1 LEU 57 -6.438 3.575 -9.699 432 1HD2 LEU 57 1HD2 LEU 57 -7.917 2.264 -11.054 433 2HD2 LEU 57 2HD2 LEU 57 -9.162 1.242 -10.327 434 3HD2 LEU 57 3HD2 LEU 57 -7.466 0.763 -10.244 435 HA PRO 58 HA PRO 58 -13.020 3.083 -8.426 436 1HB PRO 58 2HB PRO 58 -12.892 4.611 -5.906 437 2HB PRO 58 1HB PRO 58 -14.256 3.722 -6.582 438 1HG PRO 58 2HG PRO 58 -12.952 2.860 -4.377 439 2HG PRO 58 1HG PRO 58 -13.672 1.745 -5.551 440 1HD PRO 58 2HD PRO 58 -10.810 2.559 -5.222 441 2HD PRO 58 1HD PRO 58 -11.505 0.958 -5.567 442 H ASN 59 H ASN 59 -10.784 4.650 -6.123 443 HA ASN 59 HA ASN 59 -9.115 5.735 -8.104 444 1HB ASN 59 2HB ASN 59 -10.992 7.362 -8.284 445 2HB ASN 59 1HB ASN 59 -10.832 7.675 -6.561 446 1HD2 ASN 59 1HD2 ASN 59 -9.210 9.001 -5.842 447 2HD2 ASN 59 2HD2 ASN 59 -8.178 9.912 -6.880 448 H VAL 60 H VAL 60 -7.592 4.623 -6.884 449 HA VAL 60 HA VAL 60 -6.980 5.757 -4.248 450 HB VAL 60 HB VAL 60 -6.923 2.795 -4.931 451 1HG1 VAL 60 1HG1 VAL 60 -5.106 3.376 -3.447 452 2HG1 VAL 60 2HG1 VAL 60 -6.330 2.458 -2.571 453 3HG1 VAL 60 3HG1 VAL 60 -6.220 4.209 -2.365 454 1HG2 VAL 60 1HG2 VAL 60 -8.706 4.298 -3.014 455 2HG2 VAL 60 2HG2 VAL 60 -8.685 2.548 -3.247 456 3HG2 VAL 60 3HG2 VAL 60 -9.193 3.613 -4.560 457 H LEU 61 H LEU 61 -4.852 6.147 -3.901 458 HA LEU 61 HA LEU 61 -3.035 5.563 -6.116 459 1HB LEU 61 2HB LEU 61 -3.361 7.868 -4.849 460 2HB LEU 61 1HB LEU 61 -2.360 7.130 -3.624 461 HG LEU 61 HG LEU 61 -1.554 7.754 -6.469 462 1HD1 LEU 61 1HD1 LEU 61 -1.726 9.722 -5.111 463 2HD1 LEU 61 2HD1 LEU 61 -0.035 9.368 -5.462 464 3HD1 LEU 61 3HD1 LEU 61 -0.701 8.995 -3.875 465 1HD2 LEU 61 1HD2 LEU 61 0.112 6.585 -4.248 466 2HD2 LEU 61 2HD2 LEU 61 0.719 7.092 -5.826 467 3HD2 LEU 61 3HD2 LEU 61 -0.403 5.733 -5.702 468 H PHE 62 H PHE 62 -1.705 3.812 -5.936 469 HA PHE 62 HA PHE 62 -1.364 2.547 -3.279 470 1HB PHE 62 2HB PHE 62 -1.176 1.234 -5.978 471 2HB PHE 62 1HB PHE 62 -1.006 0.449 -4.435 472 HD1 PHE 62 1HD PHE 62 -3.375 1.808 -6.834 473 HD2 PHE 62 2HD PHE 62 -2.923 -0.012 -3.024 474 HE1 PHE 62 1HE PHE 62 -5.761 1.285 -6.811 475 HE2 PHE 62 2HE PHE 62 -5.322 -0.543 -2.986 476 HZ PHE 62 HZ PHE 62 -6.749 0.106 -4.888 477 H LEU 63 H LEU 63 0.682 1.874 -2.665 478 HA LEU 63 HA LEU 63 2.885 2.417 -4.507 479 1HB LEU 63 2HB LEU 63 2.834 3.175 -1.595 480 2HB LEU 63 1HB LEU 63 4.256 3.176 -2.600 481 HG LEU 63 HG LEU 63 2.970 4.912 -4.020 482 1HD1 LEU 63 1HD1 LEU 63 1.386 6.283 -2.761 483 2HD1 LEU 63 2HD1 LEU 63 1.389 5.080 -1.476 484 3HD1 LEU 63 3HD1 LEU 63 0.787 4.656 -3.079 485 1HD2 LEU 63 1HD2 LEU 63 4.935 5.455 -2.716 486 2HD2 LEU 63 2HD2 LEU 63 3.943 5.616 -1.262 487 3HD2 LEU 63 3HD2 LEU 63 3.740 6.748 -2.595 488 H LYS 64 H LYS 64 4.620 0.963 -4.452 489 HA LYS 64 HA LYS 64 4.453 -1.288 -2.628 490 1HB LYS 64 2HB LYS 64 5.828 -0.799 -5.260 491 2HB LYS 64 1HB LYS 64 6.106 -2.207 -4.276 492 1HG LYS 64 2HG LYS 64 3.485 -1.403 -5.513 493 2HG LYS 64 1HG LYS 64 4.582 -2.580 -6.208 494 1HD LYS 64 2HD LYS 64 3.262 -2.869 -3.494 495 2HD LYS 64 1HD LYS 64 2.664 -3.603 -4.979 496 1HE LYS 64 2HE LYS 64 4.747 -4.868 -5.201 497 2HE LYS 64 1HE LYS 64 5.370 -4.110 -3.739 498 1HZ LYS 64 1HZ LYS 64 4.467 -6.354 -3.352 499 2HZ LYS 64 2HZ LYS 64 2.904 -5.798 -3.746 500 3HZ LYS 64 3HZ LYS 64 3.740 -5.156 -2.443 501 H VAL 65 H VAL 65 5.816 -1.016 -0.950 502 HA VAL 65 HA VAL 65 8.241 0.584 -1.401 503 HB VAL 65 HB VAL 65 6.703 0.183 1.177 504 1HG1 VAL 65 1HG1 VAL 65 9.086 0.411 1.595 505 2HG1 VAL 65 2HG1 VAL 65 8.225 1.859 2.123 506 3HG1 VAL 65 3HG1 VAL 65 9.133 1.873 0.609 507 1HG2 VAL 65 1HG2 VAL 65 6.989 2.618 -0.576 508 2HG2 VAL 65 2HG2 VAL 65 6.181 2.571 0.989 509 3HG2 VAL 65 3HG2 VAL 65 5.532 1.650 -0.367 510 H ASP 66 H ASP 66 10.001 -0.629 -1.469 511 HA ASP 66 HA ASP 66 10.092 -3.235 -0.219 512 1HB ASP 66 2HB ASP 66 11.266 -2.843 -2.384 513 2HB ASP 66 1HB ASP 66 12.257 -1.656 -1.540 514 H THR 67 H THR 67 10.359 -3.385 1.857 515 HA THR 67 HA THR 67 11.201 -1.211 3.460 516 HB THR 67 HB THR 67 10.925 -2.831 5.340 517 HG1 THR 67 1HG THR 67 11.171 -4.829 4.747 518 1HG2 THR 67 1HG2 THR 67 9.010 -1.513 4.511 519 2HG2 THR 67 2HG2 THR 67 8.499 -3.117 5.040 520 3HG2 THR 67 3HG2 THR 67 8.671 -2.769 3.319 521 H ASP 68 H ASP 68 12.980 -3.513 1.849 522 HA ASP 68 HA ASP 68 15.104 -3.709 3.783 523 1HB ASP 68 2HB ASP 68 14.655 -5.461 2.084 524 2HB ASP 68 1HB ASP 68 15.081 -4.318 0.835 525 H GLU 69 H GLU 69 14.502 -2.021 0.736 526 HA GLU 69 HA GLU 69 16.799 -0.391 0.892 527 1HB GLU 69 2HB GLU 69 14.281 -0.311 -0.695 528 2HB GLU 69 1HB GLU 69 15.467 0.963 -0.798 529 1HG GLU 69 2HG GLU 69 17.135 -0.814 -1.496 530 2HG GLU 69 1HG GLU 69 15.775 -1.937 -1.524 531 H LEU 70 H LEU 70 13.282 0.326 1.345 532 HA LEU 70 HA LEU 70 13.908 2.828 2.571 533 1HB LEU 70 2HB LEU 70 11.386 1.338 1.886 534 2HB LEU 70 1HB LEU 70 11.397 2.841 2.753 535 HG LEU 70 HG LEU 70 10.808 3.300 0.494 536 1HD1 LEU 70 1HD1 LEU 70 12.194 4.968 1.478 537 2HD1 LEU 70 2HD1 LEU 70 12.520 4.838 -0.246 538 3HD1 LEU 70 3HD1 LEU 70 13.649 4.145 0.915 539 1HD2 LEU 70 1HD2 LEU 70 13.318 1.863 -0.358 540 2HD2 LEU 70 2HD2 LEU 70 12.220 2.750 -1.419 541 3HD2 LEU 70 3HD2 LEU 70 11.660 1.296 -0.593 542 H LYS 71 H LYS 71 15.097 1.160 3.996 543 HA LYS 71 HA LYS 71 13.731 -0.424 5.864 544 1HB LYS 71 2HB LYS 71 16.114 -0.555 5.038 545 2HB LYS 71 1HB LYS 71 16.469 0.780 6.117 546 1HG LYS 71 2HG LYS 71 15.745 -0.617 8.020 547 2HG LYS 71 1HG LYS 71 15.450 -1.909 6.828 548 1HD LYS 71 2HD LYS 71 17.764 -1.895 6.155 549 2HD LYS 71 1HD LYS 71 18.106 -0.578 7.270 550 1HE LYS 71 2HE LYS 71 17.592 -2.007 9.160 551 2HE LYS 71 1HE LYS 71 17.153 -3.324 8.071 552 1HZ LYS 71 1HZ LYS 71 19.414 -3.354 7.251 553 2HZ LYS 71 2HZ LYS 71 19.403 -3.592 8.911 554 3HZ LYS 71 3HZ LYS 71 19.856 -2.101 8.289 555 H SER 72 H SER 72 15.028 2.857 5.956 556 HA SER 72 HA SER 72 14.470 3.429 8.650 557 1HB SER 72 2HB SER 72 14.608 5.269 6.285 558 2HB SER 72 1HB SER 72 14.690 5.793 7.970 559 HG SER 72 HG SER 72 16.577 4.460 6.398 560 H VAL 73 H VAL 73 12.517 3.543 5.761 561 HA VAL 73 HA VAL 73 10.326 4.978 6.864 562 HB VAL 73 HB VAL 73 10.430 3.102 4.481 563 1HG1 VAL 73 1HG1 VAL 73 8.379 4.214 3.728 564 2HG1 VAL 73 2HG1 VAL 73 8.335 5.137 5.229 565 3HG1 VAL 73 3HG1 VAL 73 8.142 3.385 5.268 566 1HG2 VAL 73 1HG2 VAL 73 10.562 5.156 3.138 567 2HG2 VAL 73 2HG2 VAL 73 11.935 4.997 4.233 568 3HG2 VAL 73 3HG2 VAL 73 10.623 6.108 4.621 569 H ALA 74 H ALA 74 11.106 1.581 6.416 570 HA ALA 74 HA ALA 74 8.736 0.435 7.414 571 1HB ALA 74 1HB ALA 74 11.557 -0.627 7.642 572 2HB ALA 74 2HB ALA 74 10.494 -0.844 6.253 573 3HB ALA 74 3HB ALA 74 10.075 -1.575 7.802 574 H SER 75 H SER 75 11.641 1.533 9.082 575 HA SER 75 HA SER 75 10.712 0.723 11.636 576 1HB SER 75 2HB SER 75 12.841 2.732 10.890 577 2HB SER 75 1HB SER 75 12.628 1.985 12.477 578 HG SER 75 HG SER 75 12.668 0.054 10.699 579 H ASP 76 H ASP 76 10.335 3.597 9.704 580 HA ASP 76 HA ASP 76 9.490 5.338 11.803 581 1HB ASP 76 2HB ASP 76 10.443 6.240 9.745 582 2HB ASP 76 1HB ASP 76 9.141 5.530 8.805 583 H TRP 77 H TRP 77 7.800 3.270 9.509 584 HA TRP 77 HA TRP 77 5.264 4.074 10.582 585 1HB TRP 77 2HB TRP 77 6.006 2.242 8.348 586 2HB TRP 77 1HB TRP 77 4.329 2.479 8.840 587 HD1 TRP 77 HD TRP 77 7.301 4.495 7.416 588 HE1 TRP 77 1HE TRP 77 6.385 6.479 6.093 589 HE3 TRP 77 3HE TRP 77 2.339 3.900 8.403 590 HZ2 TRP 77 2HZ TRP 77 3.880 7.648 5.514 591 HZ3 TRP 77 3HZ TRP 77 0.747 5.485 7.426 592 HH2 TRP 77 HH TRP 77 1.499 7.327 6.007 593 H ALA 78 H ALA 78 7.548 2.124 11.550 594 HA ALA 78 HA ALA 78 7.839 0.411 12.923 595 1HB ALA 78 1HB ALA 78 4.948 0.791 13.701 596 2HB ALA 78 2HB ALA 78 6.315 1.680 14.376 597 3HB ALA 78 3HB ALA 78 6.184 -0.060 14.632 598 H ILE 79 H ILE 79 8.273 -1.047 11.393 599 HA ILE 79 HA ILE 79 6.204 -3.087 10.888 600 HB ILE 79 HB ILE 79 8.307 -2.085 8.949 601 1HG1 ILE 79 2HG1 ILE 79 5.290 -1.799 8.894 602 2HG1 ILE 79 1HG1 ILE 79 6.449 -0.517 9.193 603 1HG2 ILE 79 1HG2 ILE 79 7.269 -3.622 7.333 604 2HG2 ILE 79 2HG2 ILE 79 6.198 -4.224 8.595 605 3HG2 ILE 79 3HG2 ILE 79 7.938 -4.488 8.717 606 1HD1 ILE 79 1HD1 ILE 79 7.300 -0.786 6.922 607 2HD1 ILE 79 2HD1 ILE 79 5.572 -0.423 6.958 608 3HD1 ILE 79 3HD1 ILE 79 6.125 -2.068 6.658 609 H GLN 80 H GLN 80 6.773 -4.843 11.832 610 HA GLN 80 HA GLN 80 9.606 -5.380 12.343 611 1HB GLN 80 2HB GLN 80 7.765 -5.531 14.160 612 2HB GLN 80 1HB GLN 80 7.216 -6.961 13.324 613 1HG GLN 80 2HG GLN 80 9.975 -6.647 14.494 614 2HG GLN 80 1HG GLN 80 8.626 -7.366 15.352 615 1HE2 GLN 80 1HE2 GLN 80 11.191 -8.456 14.667 616 2HE2 GLN 80 2HE2 GLN 80 10.918 -9.877 13.724 617 H ALA 81 H ALA 81 6.739 -6.645 10.745 618 HA ALA 81 HA ALA 81 8.438 -8.575 9.356 619 1HB ALA 81 1HB ALA 81 7.230 -9.746 11.134 620 2HB ALA 81 2HB ALA 81 6.710 -10.278 9.534 621 3HB ALA 81 3HB ALA 81 5.701 -9.176 10.468 622 H MET 82 H MET 82 8.048 -8.827 7.282 623 HA MET 82 HA MET 82 6.103 -7.080 6.075 624 1HB MET 82 2HB MET 82 8.428 -8.577 4.971 625 2HB MET 82 1HB MET 82 7.262 -7.754 3.951 626 1HG MET 82 2HG MET 82 8.916 -6.226 4.222 627 2HG MET 82 1HG MET 82 7.668 -5.717 5.290 628 1HE MET 82 1HE MET 82 11.197 -7.505 5.184 629 2HE MET 82 2HE MET 82 10.211 -8.678 6.060 630 3HE MET 82 3HE MET 82 11.492 -7.806 6.893 631 HA PRO 83 HA PRO 83 5.286 -6.997 4.029 632 1HB PRO 83 2HB PRO 83 3.042 -7.159 2.610 633 2HB PRO 83 1HB PRO 83 4.498 -8.022 2.097 634 1HG PRO 83 2HG PRO 83 2.033 -9.075 3.384 635 2HG PRO 83 1HG PRO 83 3.107 -9.843 2.207 636 1HD PRO 83 2HD PRO 83 3.119 -10.242 5.006 637 2HD PRO 83 1HD PRO 83 4.343 -10.791 3.849 638 H THR 84 H THR 84 4.089 -5.132 4.412 639 HA THR 84 HA THR 84 1.907 -5.440 6.324 640 HB THR 84 HB THR 84 3.867 -3.249 6.087 641 HG1 THR 84 1HG THR 84 4.118 -5.578 7.304 642 1HG2 THR 84 1HG2 THR 84 1.684 -3.671 8.134 643 2HG2 THR 84 2HG2 THR 84 1.727 -2.413 6.897 644 3HG2 THR 84 3HG2 THR 84 2.895 -2.388 8.220 645 H PHE 85 H PHE 85 0.012 -4.712 5.545 646 HA PHE 85 HA PHE 85 0.046 -2.927 3.252 647 1HB PHE 85 2HB PHE 85 -2.148 -4.667 4.423 648 2HB PHE 85 1HB PHE 85 -2.267 -3.628 3.033 649 HD1 PHE 85 1HD PHE 85 -0.791 -6.726 4.333 650 HD2 PHE 85 2HD PHE 85 -1.461 -4.302 0.900 651 HE1 PHE 85 1HE PHE 85 -0.110 -8.590 2.884 652 HE2 PHE 85 2HE PHE 85 -0.780 -6.158 -0.548 653 HZ PHE 85 HZ PHE 85 -0.104 -8.300 0.437 654 H MET 86 H MET 86 -0.417 -0.884 3.778 655 HA MET 86 HA MET 86 -1.976 -0.573 6.212 656 1HB MET 86 2HB MET 86 0.389 -0.030 6.578 657 2HB MET 86 1HB MET 86 0.307 1.212 5.348 658 1HG MET 86 2HG MET 86 -0.959 2.599 6.674 659 2HG MET 86 1HG MET 86 -1.471 1.398 7.825 660 1HE MET 86 1HE MET 86 -0.708 2.377 10.039 661 2HE MET 86 2HE MET 86 -0.527 3.862 9.110 662 3HE MET 86 3HE MET 86 0.749 3.358 10.220 663 H PHE 87 H PHE 87 -3.765 0.420 6.051 664 HA PHE 87 HA PHE 87 -4.460 1.557 3.513 665 1HB PHE 87 2HB PHE 87 -5.935 0.306 5.789 666 2HB PHE 87 1HB PHE 87 -6.742 1.099 4.462 667 HD1 PHE 87 1HD PHE 87 -7.043 -0.050 2.383 668 HD2 PHE 87 2HD PHE 87 -4.549 -1.731 5.392 669 HE1 PHE 87 1HE PHE 87 -6.951 -2.161 1.126 670 HE2 PHE 87 2HE PHE 87 -4.455 -3.845 4.139 671 HZ PHE 87 HZ PHE 87 -5.654 -4.062 2.004 672 H LEU 88 H LEU 88 -4.556 3.678 3.463 673 HA LEU 88 HA LEU 88 -5.289 5.024 5.910 674 1HB LEU 88 2HB LEU 88 -3.479 6.101 3.719 675 2HB LEU 88 1HB LEU 88 -3.969 6.982 5.132 676 HG LEU 88 HG LEU 88 -2.645 5.235 6.479 677 1HD1 LEU 88 1HD1 LEU 88 -0.845 4.105 5.296 678 2HD1 LEU 88 2HD1 LEU 88 -1.524 4.632 3.757 679 3HD1 LEU 88 3HD1 LEU 88 -2.431 3.526 4.788 680 1HD2 LEU 88 1HD2 LEU 88 -1.198 7.060 4.575 681 2HD2 LEU 88 2HD2 LEU 88 -0.535 6.379 6.058 682 3HD2 LEU 88 3HD2 LEU 88 -1.884 7.512 6.136 683 H LYS 89 H LYS 89 -6.398 7.169 5.319 684 HA LYS 89 HA LYS 89 -7.377 7.267 2.572 685 1HB LYS 89 2HB LYS 89 -9.220 6.354 3.960 686 2HB LYS 89 1HB LYS 89 -9.106 7.782 4.995 687 1HG LYS 89 2HG LYS 89 -9.694 9.199 3.077 688 2HG LYS 89 1HG LYS 89 -9.816 7.745 2.086 689 1HD LYS 89 2HD LYS 89 -11.539 8.336 4.497 690 2HD LYS 89 1HD LYS 89 -12.007 8.651 2.833 691 1HE LYS 89 2HE LYS 89 -11.744 6.235 2.346 692 2HE LYS 89 1HE LYS 89 -11.385 5.962 4.048 693 1HZ LYS 89 1HZ LYS 89 -13.716 5.503 3.577 694 2HZ LYS 89 2HZ LYS 89 -13.932 7.030 2.951 695 3HZ LYS 89 3HZ LYS 89 -13.596 6.840 4.593 696 H GLU 90 H GLU 90 -7.029 9.162 1.673 697 HA GLU 90 HA GLU 90 -6.437 11.190 1.309 698 1HB GLU 90 2HB GLU 90 -7.326 11.798 4.109 699 2HB GLU 90 1HB GLU 90 -6.944 13.043 2.936 700 1HG GLU 90 2HG GLU 90 -8.828 12.240 1.554 701 2HG GLU 90 1HG GLU 90 -9.214 11.058 2.799 702 H GLY 91 H GLY 91 -4.778 9.240 2.913 703 1HA GLY 91 2HA GLY 91 -2.453 9.245 3.397 704 2HA GLY 91 1HA GLY 91 -2.515 11.001 3.523 705 H LYS 92 H LYS 92 -5.087 9.764 5.186 706 HA LYS 92 HA LYS 92 -3.785 10.138 7.780 707 1HB LYS 92 2HB LYS 92 -6.696 9.851 7.020 708 2HB LYS 92 1HB LYS 92 -6.066 10.341 8.585 709 1HG LYS 92 2HG LYS 92 -5.283 12.401 7.720 710 2HG LYS 92 1HG LYS 92 -5.583 11.889 6.061 711 1HD LYS 92 2HD LYS 92 -7.990 11.773 6.561 712 2HD LYS 92 1HD LYS 92 -7.657 12.366 8.192 713 1HE LYS 92 2HE LYS 92 -6.804 14.419 7.330 714 2HE LYS 92 1HE LYS 92 -6.922 13.833 5.674 715 1HZ LYS 92 1HZ LYS 92 -8.723 15.295 6.234 716 2HZ LYS 92 2HZ LYS 92 -9.275 14.282 7.475 717 3HZ LYS 92 3HZ LYS 92 -9.290 13.766 5.867 718 H ILE 93 H ILE 93 -3.513 8.427 9.105 719 HA ILE 93 HA ILE 93 -3.704 5.809 8.084 720 HB ILE 93 HB ILE 93 -3.053 6.823 10.852 721 1HG1 ILE 93 2HG1 ILE 93 -1.298 5.608 8.741 722 2HG1 ILE 93 1HG1 ILE 93 -1.485 7.320 8.888 723 1HG2 ILE 93 1HG2 ILE 93 -2.822 3.998 9.797 724 2HG2 ILE 93 2HG2 ILE 93 -3.935 4.545 11.051 725 3HG2 ILE 93 3HG2 ILE 93 -2.195 4.565 11.344 726 1HD1 ILE 93 1HD1 ILE 93 -0.547 7.185 11.191 727 2HD1 ILE 93 2HD1 ILE 93 0.565 6.597 9.955 728 3HD1 ILE 93 3HD1 ILE 93 -0.328 5.452 10.957 729 H LEU 94 H LEU 94 -5.300 4.397 8.058 730 HA LEU 94 HA LEU 94 -7.458 4.749 9.947 731 1HB LEU 94 2HB LEU 94 -7.350 3.326 7.314 732 2HB LEU 94 1HB LEU 94 -8.737 3.317 8.373 733 HG LEU 94 HG LEU 94 -7.594 5.691 6.888 734 1HD1 LEU 94 1HD1 LEU 94 -10.186 4.199 6.634 735 2HD1 LEU 94 2HD1 LEU 94 -8.869 4.287 5.447 736 3HD1 LEU 94 3HD1 LEU 94 -9.809 5.719 5.836 737 1HD2 LEU 94 1HD2 LEU 94 -8.380 6.409 9.099 738 2HD2 LEU 94 2HD2 LEU 94 -9.939 5.629 8.796 739 3HD2 LEU 94 3HD2 LEU 94 -9.429 6.999 7.815 740 H ASP 95 H ASP 95 -5.604 2.165 8.253 741 HA ASP 95 HA ASP 95 -5.209 0.839 10.721 742 1HB ASP 95 2HB ASP 95 -6.136 -1.268 9.955 743 2HB ASP 95 1HB ASP 95 -7.369 -0.101 10.433 744 H LYS 96 H LYS 96 -3.944 -1.062 10.575 745 HA LYS 96 HA LYS 96 -2.378 -1.279 8.102 746 1HB LYS 96 2HB LYS 96 -0.279 -1.386 9.431 747 2HB LYS 96 1HB LYS 96 -1.066 0.182 9.517 748 1HG LYS 96 2HG LYS 96 -1.975 -0.404 11.722 749 2HG LYS 96 1HG LYS 96 -1.171 -1.969 11.629 750 1HD LYS 96 2HD LYS 96 0.207 0.725 11.624 751 2HD LYS 96 1HD LYS 96 0.071 -0.345 13.015 752 1HE LYS 96 2HE LYS 96 1.322 -2.076 11.726 753 2HE LYS 96 1HE LYS 96 1.542 -0.899 10.435 754 1HZ LYS 96 1HZ LYS 96 3.485 -0.993 11.908 755 2HZ LYS 96 2HZ LYS 96 2.519 -0.619 13.217 756 3HZ LYS 96 3HZ LYS 96 2.762 0.530 12.006 757 H VAL 97 H VAL 97 -1.813 -3.319 7.538 758 HA VAL 97 HA VAL 97 -2.474 -5.517 9.406 759 HB VAL 97 HB VAL 97 -2.377 -5.514 6.368 760 1HG1 VAL 97 1HG1 VAL 97 -3.236 -7.698 8.255 761 2HG1 VAL 97 2HG1 VAL 97 -1.772 -7.680 7.270 762 3HG1 VAL 97 3HG1 VAL 97 -3.356 -7.753 6.495 763 1HG2 VAL 97 1HG2 VAL 97 -4.764 -5.615 8.206 764 2HG2 VAL 97 2HG2 VAL 97 -4.818 -5.802 6.455 765 3HG2 VAL 97 3HG2 VAL 97 -4.305 -4.270 7.162 766 H VAL 98 H VAL 98 -0.666 -6.503 10.154 767 HA VAL 98 HA VAL 98 1.704 -6.394 8.476 768 HB VAL 98 HB VAL 98 1.962 -5.191 10.577 769 1HG1 VAL 98 1HG1 VAL 98 1.980 -6.293 12.754 770 2HG1 VAL 98 2HG1 VAL 98 1.417 -7.777 11.983 771 3HG1 VAL 98 3HG1 VAL 98 0.389 -6.347 11.983 772 1HG2 VAL 98 1HG2 VAL 98 3.584 -7.726 10.526 773 2HG2 VAL 98 2HG2 VAL 98 4.015 -6.268 11.421 774 3HG2 VAL 98 3HG2 VAL 98 3.941 -6.236 9.658 775 H GLY 99 H GLY 99 2.206 -8.178 7.497 776 1HA GLY 99 2HA GLY 99 2.938 -10.465 7.647 777 2HA GLY 99 1HA GLY 99 1.634 -10.749 8.804 778 H ALA 100 H ALA 100 2.063 -12.187 6.312 779 HA ALA 100 HA ALA 100 0.012 -11.075 4.573 780 1HB ALA 100 1HB ALA 100 2.060 -11.945 3.549 781 2HB ALA 100 2HB ALA 100 0.640 -12.852 3.021 782 3HB ALA 100 3HB ALA 100 1.723 -13.532 4.235 783 H LYS 101 H LYS 101 -1.945 -11.396 5.260 784 HA LYS 101 HA LYS 101 -2.788 -14.122 5.845 785 1HB LYS 101 2HB LYS 101 -3.892 -11.525 6.849 786 2HB LYS 101 1HB LYS 101 -4.566 -13.109 7.163 787 1HG LYS 101 2HG LYS 101 -2.521 -13.646 8.496 788 2HG LYS 101 1HG LYS 101 -1.969 -11.980 8.230 789 1HD LYS 101 2HD LYS 101 -4.016 -11.235 9.166 790 2HD LYS 101 1HD LYS 101 -4.442 -12.919 9.478 791 1HE LYS 101 2HE LYS 101 -2.466 -13.107 10.932 792 2HE LYS 101 1HE LYS 101 -2.115 -11.403 10.651 793 1HZ LYS 101 1HZ LYS 101 -4.283 -10.839 11.613 794 2HZ LYS 101 2HZ LYS 101 -3.345 -11.689 12.736 795 3HZ LYS 101 3HZ LYS 101 -4.582 -12.459 11.907 796 H LYS 102 H LYS 102 -4.142 -14.794 4.264 797 HA LYS 102 HA LYS 102 -4.963 -13.043 2.253 798 1HB LYS 102 2HB LYS 102 -4.512 -15.394 1.848 799 2HB LYS 102 1HB LYS 102 -5.835 -15.839 2.914 800 1HG LYS 102 2HG LYS 102 -7.429 -14.828 1.421 801 2HG LYS 102 1HG LYS 102 -6.102 -14.286 0.386 802 1HD LYS 102 2HD LYS 102 -6.735 -17.191 0.971 803 2HD LYS 102 1HD LYS 102 -7.274 -16.326 -0.467 804 1HE LYS 102 2HE LYS 102 -4.945 -15.925 -1.103 805 2HE LYS 102 1HE LYS 102 -4.393 -16.758 0.343 806 1HZ LYS 102 1HZ LYS 102 -5.382 -18.800 -0.491 807 2HZ LYS 102 2HZ LYS 102 -4.318 -18.187 -1.641 808 3HZ LYS 102 3HZ LYS 102 -5.974 -18.002 -1.849 809 H ASP 103 H ASP 103 -6.678 -14.634 4.943 810 HA ASP 103 HA ASP 103 -9.200 -13.551 4.221 811 1HB ASP 103 2HB ASP 103 -9.176 -15.619 5.420 812 2HB ASP 103 1HB ASP 103 -8.320 -14.890 6.772 813 H GLU 104 H GLU 104 -6.845 -12.583 6.697 814 HA GLU 104 HA GLU 104 -8.494 -10.530 7.755 815 1HB GLU 104 2HB GLU 104 -6.508 -11.398 8.975 816 2HB GLU 104 1HB GLU 104 -5.478 -10.667 7.755 817 1HG GLU 104 2HG GLU 104 -6.232 -8.447 8.424 818 2HG GLU 104 1HG GLU 104 -7.292 -9.165 9.632 819 H LEU 105 H LEU 105 -6.277 -10.622 5.062 820 HA LEU 105 HA LEU 105 -6.215 -7.873 4.496 821 1HB LEU 105 2HB LEU 105 -4.787 -9.659 3.461 822 2HB LEU 105 1HB LEU 105 -6.185 -10.184 2.588 823 HG LEU 105 HG LEU 105 -6.340 -8.091 1.384 824 1HD1 LEU 105 1HD1 LEU 105 -4.520 -6.433 1.519 825 2HD1 LEU 105 2HD1 LEU 105 -3.819 -7.327 2.870 826 3HD1 LEU 105 3HD1 LEU 105 -5.402 -6.571 3.037 827 1HD2 LEU 105 1HD2 LEU 105 -4.318 -8.349 0.013 828 2HD2 LEU 105 2HD2 LEU 105 -5.035 -9.905 0.427 829 3HD2 LEU 105 3HD2 LEU 105 -3.599 -9.343 1.279 830 H GLN 106 H GLN 106 -8.132 -10.487 3.198 831 HA GLN 106 HA GLN 106 -9.947 -8.995 1.684 832 1HB GLN 106 2HB GLN 106 -10.399 -11.631 3.066 833 2HB GLN 106 1HB GLN 106 -11.533 -10.929 1.929 834 1HG GLN 106 2HG GLN 106 -8.698 -11.740 1.341 835 2HG GLN 106 1HG GLN 106 -10.156 -12.607 0.868 836 1HE2 GLN 106 1HE2 GLN 106 -8.036 -11.493 -0.779 837 2HE2 GLN 106 2HE2 GLN 106 -8.804 -10.398 -1.863 838 H SER 107 H SER 107 -10.073 -9.778 5.100 839 HA SER 107 HA SER 107 -12.679 -8.748 5.571 840 1HB SER 107 2HB SER 107 -10.351 -8.923 7.518 841 2HB SER 107 1HB SER 107 -12.050 -8.753 7.951 842 HG SER 107 HG SER 107 -10.761 -10.973 6.728 843 H THR 108 H THR 108 -9.471 -7.328 5.644 844 HA THR 108 HA THR 108 -10.290 -4.774 6.520 845 HB THR 108 HB THR 108 -7.827 -5.630 4.979 846 HG1 THR 108 1HG THR 108 -7.709 -6.661 6.895 847 1HG2 THR 108 1HG2 THR 108 -8.215 -3.206 4.857 848 2HG2 THR 108 2HG2 THR 108 -6.821 -3.572 5.871 849 3HG2 THR 108 3HG2 THR 108 -8.363 -3.139 6.613 850 H ILE 109 H ILE 109 -9.904 -6.280 3.361 851 HA ILE 109 HA ILE 109 -10.321 -3.978 1.810 852 HB ILE 109 HB ILE 109 -11.121 -6.823 1.104 853 1HG1 ILE 109 2HG1 ILE 109 -8.729 -6.693 1.615 854 2HG1 ILE 109 1HG1 ILE 109 -8.971 -6.937 -0.109 855 1HG2 ILE 109 1HG2 ILE 109 -10.655 -4.417 -0.632 856 2HG2 ILE 109 2HG2 ILE 109 -12.208 -5.169 -0.299 857 3HG2 ILE 109 3HG2 ILE 109 -10.983 -6.045 -1.240 858 1HD1 ILE 109 1HD1 ILE 109 -8.543 -4.559 -0.486 859 2HD1 ILE 109 2HD1 ILE 109 -7.188 -5.359 0.309 860 3HD1 ILE 109 3HD1 ILE 109 -8.275 -4.332 1.244 861 H ALA 110 H ALA 110 -12.603 -6.394 3.097 862 HA ALA 110 HA ALA 110 -14.909 -5.140 2.022 863 1HB ALA 110 1HB ALA 110 -14.873 -7.507 2.727 864 2HB ALA 110 2HB ALA 110 -16.171 -6.604 3.508 865 3HB ALA 110 3HB ALA 110 -14.705 -6.988 4.404 866 H LYS 111 H LYS 111 -13.123 -4.695 4.949 867 HA LYS 111 HA LYS 111 -14.875 -3.128 6.484 868 1HB LYS 111 2HB LYS 111 -12.614 -3.988 7.129 869 2HB LYS 111 1HB LYS 111 -12.001 -2.770 6.047 870 1HG LYS 111 2HG LYS 111 -12.985 -0.985 7.400 871 2HG LYS 111 1HG LYS 111 -13.545 -2.191 8.560 872 1HD LYS 111 2HD LYS 111 -11.253 -2.871 8.989 873 2HD LYS 111 1HD LYS 111 -10.669 -1.719 7.791 874 1HE LYS 111 2HE LYS 111 -11.675 0.103 9.134 875 2HE LYS 111 1HE LYS 111 -12.102 -1.087 10.362 876 1HZ LYS 111 1HZ LYS 111 -9.369 -0.426 9.438 877 2HZ LYS 111 2HZ LYS 111 -9.734 -1.594 10.599 878 3HZ LYS 111 3HZ LYS 111 -10.042 0.025 10.911 879 H HIS 112 H HIS 112 -12.528 -2.274 4.021 880 HA HIS 112 HA HIS 112 -13.183 0.511 4.124 881 1HB HIS 112 2HB HIS 112 -11.252 -1.087 2.488 882 2HB HIS 112 1HB HIS 112 -11.533 0.620 2.214 883 HD1 HIS 112 1HD HIS 112 -10.462 2.252 3.867 884 HD2 HIS 112 2HD HIS 112 -9.918 -1.720 4.870 885 HE1 HIS 112 1HE HIS 112 -8.754 2.285 5.669 886 HE2 HIS 112 2HE HIS 112 -8.665 -0.075 6.499 887 H LEU 113 H LEU 113 -14.318 -2.242 2.255 888 HA LEU 113 HA LEU 113 -14.937 -0.830 -0.055 889 1HB LEU 113 2HB LEU 113 -14.573 -3.325 0.514 890 2HB LEU 113 1HB LEU 113 -16.246 -3.236 1.015 891 HG LEU 113 HG LEU 113 -15.938 -4.194 -1.106 892 1HD1 LEU 113 1HD1 LEU 113 -17.589 -2.835 -2.444 893 2HD1 LEU 113 2HD1 LEU 113 -17.348 -1.509 -1.308 894 3HD1 LEU 113 3HD1 LEU 113 -18.075 -3.012 -0.757 895 1HD2 LEU 113 1HD2 LEU 113 -15.237 -2.875 -3.086 896 2HD2 LEU 113 2HD2 LEU 113 -13.967 -3.106 -1.886 897 3HD2 LEU 113 3HD2 LEU 113 -14.802 -1.561 -2.000 898 H ALA 114 H ALA 114 -16.434 0.683 -0.138 899 HA ALA 114 HA ALA 114 -19.050 0.218 0.958 900 1HB ALA 114 1HB ALA 114 -17.426 2.691 1.616 901 2HB ALA 114 2HB ALA 114 -17.956 1.466 2.765 902 3HB ALA 114 3HB ALA 114 -19.145 2.485 1.954 Start of MODEL 9 1 H MET 1 H MET 1 -8.459 -2.909 -16.934 2 HA MET 1 HA MET 1 -7.485 -1.020 -17.268 3 1HB MET 1 2HB MET 1 -5.806 -2.186 -18.604 4 2HB MET 1 1HB MET 1 -6.799 -2.009 -20.041 5 1HG MET 1 2HG MET 1 -6.542 0.414 -19.934 6 2HG MET 1 1HG MET 1 -5.568 0.253 -18.472 7 1HE MET 1 1HE MET 1 -2.386 -1.604 -19.822 8 2HE MET 1 2HE MET 1 -3.824 -2.368 -19.161 9 3HE MET 1 3HE MET 1 -3.175 -0.910 -18.408 10 H ALA 2 H ALA 2 -9.543 -0.279 -16.952 11 HA ALA 2 HA ALA 2 -10.558 1.219 -19.250 12 1HB ALA 2 1HB ALA 2 -11.957 0.377 -16.695 13 2HB ALA 2 2HB ALA 2 -12.235 -0.307 -18.292 14 3HB ALA 2 3HB ALA 2 -12.675 1.370 -17.962 15 H SER 3 H SER 3 -9.374 2.987 -19.139 16 HA SER 3 HA SER 3 -8.480 4.912 -18.479 17 1HB SER 3 2HB SER 3 -10.162 4.588 -15.957 18 2HB SER 3 1HB SER 3 -9.317 6.061 -16.428 19 HG SER 3 HG SER 3 -11.640 4.936 -17.377 20 H GLU 4 H GLU 4 -7.296 5.743 -16.010 21 HA GLU 4 HA GLU 4 -5.240 3.848 -15.967 22 1HB GLU 4 2HB GLU 4 -4.281 5.385 -14.232 23 2HB GLU 4 1HB GLU 4 -4.398 6.048 -15.849 24 1HG GLU 4 2HG GLU 4 -6.243 6.621 -13.513 25 2HG GLU 4 1HG GLU 4 -4.926 7.662 -14.040 26 H GLU 5 H GLU 5 -5.555 2.048 -15.052 27 HA GLU 5 HA GLU 5 -6.316 1.961 -12.225 28 1HB GLU 5 2HB GLU 5 -7.500 -0.163 -12.678 29 2HB GLU 5 1HB GLU 5 -8.243 1.175 -13.546 30 1HG GLU 5 2HG GLU 5 -7.235 0.509 -15.597 31 2HG GLU 5 1HG GLU 5 -6.255 -0.699 -14.781 32 H GLY 6 H GLY 6 -5.458 -0.014 -11.200 33 1HA GLY 6 2HA GLY 6 -3.993 -1.738 -10.938 34 2HA GLY 6 1HA GLY 6 -3.673 -1.683 -12.661 35 H GLN 7 H GLN 7 -3.225 1.311 -11.041 36 HA GLN 7 HA GLN 7 -0.428 0.749 -11.358 37 1HB GLN 7 2HB GLN 7 0.022 3.145 -11.122 38 2HB GLN 7 1HB GLN 7 -0.896 2.641 -12.525 39 1HG GLN 7 2HG GLN 7 -2.954 3.479 -11.433 40 2HG GLN 7 1HG GLN 7 -2.010 3.932 -10.015 41 1HE2 GLN 7 1HE2 GLN 7 -3.637 5.584 -11.706 42 2HE2 GLN 7 2HE2 GLN 7 -2.616 6.828 -12.351 43 H VAL 8 H VAL 8 0.849 0.597 -10.066 44 HA VAL 8 HA VAL 8 0.322 1.132 -7.218 45 HB VAL 8 HB VAL 8 2.020 -1.100 -8.385 46 1HG1 VAL 8 1HG1 VAL 8 1.314 -0.466 -5.523 47 2HG1 VAL 8 2HG1 VAL 8 2.897 -0.276 -6.276 48 3HG1 VAL 8 3HG1 VAL 8 2.208 -1.889 -6.064 49 1HG2 VAL 8 1HG2 VAL 8 0.342 -2.639 -7.451 50 2HG2 VAL 8 2HG2 VAL 8 -0.355 -1.576 -8.675 51 3HG2 VAL 8 3HG2 VAL 8 -0.640 -1.257 -6.964 52 H ILE 9 H ILE 9 1.711 2.637 -6.458 53 HA ILE 9 HA ILE 9 3.964 3.230 -8.174 54 HB ILE 9 HB ILE 9 3.043 4.719 -5.693 55 1HG1 ILE 9 2HG1 ILE 9 2.556 6.553 -7.398 56 2HG1 ILE 9 1HG1 ILE 9 2.761 5.345 -8.638 57 1HG2 ILE 9 1HG2 ILE 9 5.213 5.408 -7.669 58 2HG2 ILE 9 2HG2 ILE 9 5.446 4.947 -5.984 59 3HG2 ILE 9 3HG2 ILE 9 4.650 6.470 -6.383 60 1HD1 ILE 9 1HD1 ILE 9 0.401 5.721 -8.177 61 2HD1 ILE 9 2HD1 ILE 9 0.652 5.306 -6.482 62 3HD1 ILE 9 3HD1 ILE 9 0.865 4.077 -7.732 63 H ALA 10 H ALA 10 5.750 2.132 -7.865 64 HA ALA 10 HA ALA 10 6.271 1.048 -5.222 65 1HB ALA 10 1HB ALA 10 6.371 -0.524 -7.098 66 2HB ALA 10 2HB ALA 10 7.961 -0.331 -6.359 67 3HB ALA 10 3HB ALA 10 7.592 0.480 -7.881 68 H CYS 11 H CYS 11 7.334 2.415 -3.962 69 HA CYS 11 HA CYS 11 9.028 4.382 -5.149 70 1HB CYS 11 2HB CYS 11 8.466 3.876 -2.244 71 2HB CYS 11 1HB CYS 11 9.131 5.289 -2.997 72 HG CYS 11 HG CYS 11 6.129 4.530 -4.237 73 H HIS 12 H HIS 12 10.983 3.813 -5.589 74 HA HIS 12 HA HIS 12 12.379 1.957 -3.811 75 1HB HIS 12 2HB HIS 12 13.067 2.822 -6.639 76 2HB HIS 12 1HB HIS 12 14.055 1.754 -5.651 77 HD1 HIS 12 1HD HIS 12 13.335 -0.692 -5.466 78 HD2 HIS 12 2HD HIS 12 10.670 1.681 -7.605 79 HE1 HIS 12 1HE HIS 12 11.738 -2.289 -6.598 80 HE2 HIS 12 2HE HIS 12 10.270 -0.834 -8.027 81 H THR 13 H THR 13 11.749 5.026 -3.912 82 HA THR 13 HA THR 13 14.287 5.783 -2.761 83 HB THR 13 HB THR 13 14.143 8.013 -3.919 84 HG1 THR 13 1HG THR 13 12.908 7.903 -5.947 85 1HG2 THR 13 1HG2 THR 13 15.728 6.332 -4.768 86 2HG2 THR 13 2HG2 THR 13 15.060 7.287 -6.093 87 3HG2 THR 13 3HG2 THR 13 14.465 5.655 -5.793 88 H VAL 14 H VAL 14 13.992 7.432 -1.174 89 HA VAL 14 HA VAL 14 11.342 7.480 -0.149 90 HB VAL 14 HB VAL 14 13.329 7.467 1.371 91 1HG1 VAL 14 1HG1 VAL 14 14.817 8.931 0.187 92 2HG1 VAL 14 2HG1 VAL 14 14.568 9.515 1.833 93 3HG1 VAL 14 3HG1 VAL 14 13.744 10.298 0.483 94 1HG2 VAL 14 1HG2 VAL 14 11.483 9.820 1.756 95 2HG2 VAL 14 2HG2 VAL 14 12.493 9.094 3.011 96 3HG2 VAL 14 3HG2 VAL 14 11.202 8.154 2.271 97 H GLU 15 H GLU 15 13.244 9.509 -2.274 98 HA GLU 15 HA GLU 15 12.001 11.873 -2.179 99 1HB GLU 15 2HB GLU 15 12.936 10.343 -4.615 100 2HB GLU 15 1HB GLU 15 12.651 12.060 -4.463 101 1HG GLU 15 2HG GLU 15 14.985 11.840 -4.408 102 2HG GLU 15 1HG GLU 15 14.511 12.080 -2.734 103 H THR 16 H THR 16 11.120 8.966 -4.112 104 HA THR 16 HA THR 16 8.794 10.087 -5.247 105 HB THR 16 HB THR 16 9.467 7.156 -4.810 106 HG1 THR 16 1HG THR 16 10.925 7.473 -6.243 107 1HG2 THR 16 1HG2 THR 16 8.019 6.780 -6.770 108 2HG2 THR 16 2HG2 THR 16 7.672 8.507 -6.845 109 3HG2 THR 16 3HG2 THR 16 7.118 7.559 -5.467 110 H TRP 17 H TRP 17 9.397 8.083 -2.428 111 HA TRP 17 HA TRP 17 6.817 7.551 -1.574 112 1HB TRP 17 2HB TRP 17 8.715 6.443 -0.600 113 2HB TRP 17 1HB TRP 17 9.385 7.973 -0.062 114 HD1 TRP 17 HD TRP 17 9.137 8.337 2.410 115 HE1 TRP 17 1HE TRP 17 7.554 7.591 4.250 116 HE3 TRP 17 3HE TRP 17 5.842 5.671 -0.428 117 HZ2 TRP 17 2HZ TRP 17 5.181 6.073 4.497 118 HZ3 TRP 17 3HZ TRP 17 3.929 4.613 0.692 119 HH2 TRP 17 HH TRP 17 3.608 4.808 3.109 120 H ASN 18 H ASN 18 8.890 10.292 -0.652 121 HA ASN 18 HA ASN 18 7.039 11.627 1.001 122 1HB ASN 18 2HB ASN 18 9.491 12.087 0.931 123 2HB ASN 18 1HB ASN 18 9.294 12.785 -0.663 124 1HD2 ASN 18 1HD2 ASN 18 10.344 13.941 1.834 125 2HD2 ASN 18 2HD2 ASN 18 9.408 15.364 2.122 126 H GLU 19 H GLU 19 7.763 11.918 -2.423 127 HA GLU 19 HA GLU 19 6.151 14.103 -3.080 128 1HB GLU 19 2HB GLU 19 7.924 13.064 -4.505 129 2HB GLU 19 1HB GLU 19 6.833 11.729 -4.825 130 1HG GLU 19 2HG GLU 19 6.843 13.243 -6.684 131 2HG GLU 19 1HG GLU 19 5.269 13.299 -5.890 132 H GLN 20 H GLN 20 5.343 10.574 -3.068 133 HA GLN 20 HA GLN 20 2.775 10.969 -4.024 134 1HB GLN 20 2HB GLN 20 4.291 8.783 -2.839 135 2HB GLN 20 1HB GLN 20 2.565 8.594 -3.117 136 1HG GLN 20 2HG GLN 20 4.673 9.225 -5.187 137 2HG GLN 20 1HG GLN 20 3.868 7.667 -4.963 138 1HE2 GLN 20 1HE2 GLN 20 3.908 9.415 -7.335 139 2HE2 GLN 20 2HE2 GLN 20 2.254 9.760 -7.661 140 H LEU 21 H LEU 21 4.109 10.700 -0.667 141 HA LEU 21 HA LEU 21 1.670 10.420 0.560 142 1HB LEU 21 2HB LEU 21 4.260 11.568 1.299 143 2HB LEU 21 1HB LEU 21 2.950 11.422 2.433 144 HG LEU 21 HG LEU 21 4.498 9.201 1.096 145 1HD1 LEU 21 1HD1 LEU 21 5.225 8.693 3.374 146 2HD1 LEU 21 2HD1 LEU 21 4.310 10.078 3.975 147 3HD1 LEU 21 3HD1 LEU 21 5.685 10.327 2.897 148 1HD2 LEU 21 1HD2 LEU 21 3.172 7.658 2.475 149 2HD2 LEU 21 2HD2 LEU 21 2.155 8.532 1.338 150 3HD2 LEU 21 3HD2 LEU 21 2.184 9.006 3.039 151 H GLN 22 H GLN 22 3.571 13.263 -0.266 152 HA GLN 22 HA GLN 22 1.799 15.018 0.959 153 1HB GLN 22 2HB GLN 22 4.073 15.691 0.241 154 2HB GLN 22 1HB GLN 22 3.554 15.597 -1.437 155 1HG GLN 22 2HG GLN 22 3.553 17.897 -0.687 156 2HG GLN 22 1HG GLN 22 1.908 17.363 -1.028 157 1HE2 GLN 22 1HE2 GLN 22 4.148 18.300 1.441 158 2HE2 GLN 22 2HE2 GLN 22 2.994 18.462 2.711 159 H LYS 23 H LYS 23 1.840 13.546 -2.223 160 HA LYS 23 HA LYS 23 -0.200 15.089 -3.380 161 1HB LYS 23 2HB LYS 23 1.354 13.541 -4.614 162 2HB LYS 23 1HB LYS 23 0.439 12.198 -3.967 163 1HG LYS 23 2HG LYS 23 -1.559 12.964 -5.136 164 2HG LYS 23 1HG LYS 23 -0.662 14.343 -5.776 165 1HD LYS 23 2HD LYS 23 0.903 12.741 -6.859 166 2HD LYS 23 1HD LYS 23 -0.136 11.422 -6.323 167 1HE LYS 23 2HE LYS 23 -0.921 13.680 -8.176 168 2HE LYS 23 1HE LYS 23 -0.602 12.016 -8.644 169 1HZ LYS 23 1HZ LYS 23 -2.951 12.416 -8.489 170 2HZ LYS 23 2HZ LYS 23 -2.832 12.954 -6.913 171 3HZ LYS 23 3HZ LYS 23 -2.509 11.333 -7.281 172 H ALA 24 H ALA 24 -0.282 12.023 -1.508 173 HA ALA 24 HA ALA 24 -3.087 11.683 -1.799 174 1HB ALA 24 1HB ALA 24 -2.843 9.948 -0.098 175 2HB ALA 24 2HB ALA 24 -1.213 10.518 0.261 176 3HB ALA 24 3HB ALA 24 -1.572 9.817 -1.317 177 H ASN 25 H ASN 25 -1.060 13.331 0.449 178 HA ASN 25 HA ASN 25 -2.948 13.753 2.571 179 1HB ASN 25 2HB ASN 25 -0.448 13.837 2.713 180 2HB ASN 25 1HB ASN 25 -0.505 15.280 1.775 181 1HD2 ASN 25 1HD2 ASN 25 0.476 16.484 3.329 182 2HD2 ASN 25 2HD2 ASN 25 -0.340 17.029 4.755 183 H GLU 26 H GLU 26 -1.500 15.796 0.175 184 HA GLU 26 HA GLU 26 -2.883 18.197 0.680 185 1HB GLU 26 2HB GLU 26 -0.808 18.070 -0.592 186 2HB GLU 26 1HB GLU 26 -1.639 17.238 -1.888 187 1HG GLU 26 2HG GLU 26 -3.032 19.255 -2.218 188 2HG GLU 26 1HG GLU 26 -2.056 20.076 -0.998 189 H SER 27 H SER 27 -3.577 15.630 -1.682 190 HA SER 27 HA SER 27 -5.917 17.077 -2.524 191 1HB SER 27 2HB SER 27 -4.638 14.566 -3.521 192 2HB SER 27 1HB SER 27 -6.048 15.345 -4.243 193 HG SER 27 HG SER 27 -3.364 16.113 -4.249 194 H LYS 28 H LYS 28 -5.248 15.027 -0.051 195 HA LYS 28 HA LYS 28 -6.353 13.580 1.186 196 1HB LYS 28 2HB LYS 28 -8.551 15.337 0.324 197 2HB LYS 28 1HB LYS 28 -8.805 14.141 1.593 198 1HG LYS 28 2HG LYS 28 -6.933 15.233 2.850 199 2HG LYS 28 1HG LYS 28 -6.896 16.478 1.604 200 1HD LYS 28 2HD LYS 28 -9.195 17.068 2.121 201 2HD LYS 28 1HD LYS 28 -9.250 15.808 3.360 202 1HE LYS 28 2HE LYS 28 -7.412 16.928 4.552 203 2HE LYS 28 1HE LYS 28 -7.403 18.189 3.327 204 1HZ LYS 28 1HZ LYS 28 -9.665 18.773 3.966 205 2HZ LYS 28 2HZ LYS 28 -8.620 18.845 5.303 206 3HZ LYS 28 3HZ LYS 28 -9.664 17.543 5.124 207 H THR 29 H THR 29 -5.706 12.287 -0.769 208 HA THR 29 HA THR 29 -7.981 10.899 -1.955 209 HB THR 29 HB THR 29 -5.087 10.445 -2.493 210 HG1 THR 29 1HG THR 29 -6.901 12.442 -3.413 211 1HG2 THR 29 1HG2 THR 29 -6.616 8.789 -3.402 212 2HG2 THR 29 2HG2 THR 29 -5.931 9.740 -4.726 213 3HG2 THR 29 3HG2 THR 29 -7.570 10.057 -4.170 214 H LEU 30 H LEU 30 -8.156 8.701 -1.669 215 HA LEU 30 HA LEU 30 -7.233 7.836 0.865 216 1HB LEU 30 2HB LEU 30 -9.561 7.415 0.085 217 2HB LEU 30 1HB LEU 30 -8.964 6.365 -1.171 218 HG LEU 30 HG LEU 30 -8.815 5.747 1.806 219 1HD1 LEU 30 1HD1 LEU 30 -10.665 4.226 1.383 220 2HD1 LEU 30 2HD1 LEU 30 -10.760 4.807 -0.281 221 3HD1 LEU 30 3HD1 LEU 30 -11.113 5.900 1.055 222 1HD2 LEU 30 1HD2 LEU 30 -8.454 3.954 -0.598 223 2HD2 LEU 30 2HD2 LEU 30 -8.374 3.460 1.095 224 3HD2 LEU 30 3HD2 LEU 30 -7.148 4.538 0.430 225 H VAL 31 H VAL 31 -5.460 6.378 1.152 226 HA VAL 31 HA VAL 31 -4.253 5.280 -1.261 227 HB VAL 31 HB VAL 31 -3.123 7.360 -0.690 228 1HG1 VAL 31 1HG1 VAL 31 -2.548 6.124 1.979 229 2HG1 VAL 31 2HG1 VAL 31 -3.583 7.517 1.655 230 3HG1 VAL 31 3HG1 VAL 31 -1.844 7.628 1.380 231 1HG2 VAL 31 1HG2 VAL 31 -1.431 4.950 -0.066 232 2HG2 VAL 31 2HG2 VAL 31 -0.811 6.538 -0.518 233 3HG2 VAL 31 3HG2 VAL 31 -1.773 5.604 -1.668 234 H VAL 32 H VAL 32 -3.275 3.301 -1.069 235 HA VAL 32 HA VAL 32 -3.246 2.025 1.581 236 HB VAL 32 HB VAL 32 -3.728 0.727 -1.068 237 1HG1 VAL 32 1HG1 VAL 32 -4.211 -1.332 0.246 238 2HG1 VAL 32 2HG1 VAL 32 -3.765 -0.467 1.716 239 3HG1 VAL 32 3HG1 VAL 32 -2.554 -0.766 0.466 240 1HG2 VAL 32 1HG2 VAL 32 -5.685 1.983 -0.400 241 2HG2 VAL 32 2HG2 VAL 32 -5.666 1.214 1.188 242 3HG2 VAL 32 3HG2 VAL 32 -6.016 0.255 -0.254 243 H VAL 33 H VAL 33 -1.261 1.482 2.200 244 HA VAL 33 HA VAL 33 0.812 1.325 0.106 245 HB VAL 33 HB VAL 33 1.197 2.221 2.965 246 1HG1 VAL 33 1HG1 VAL 33 3.415 2.923 2.211 247 2HG1 VAL 33 2HG1 VAL 33 3.071 2.254 0.618 248 3HG1 VAL 33 3HG1 VAL 33 3.166 1.189 2.020 249 1HG2 VAL 33 1HG2 VAL 33 1.074 3.892 0.445 250 2HG2 VAL 33 2HG2 VAL 33 1.519 4.483 2.044 251 3HG2 VAL 33 3HG2 VAL 33 -0.111 3.880 1.751 252 H ASP 34 H ASP 34 1.959 -0.483 -0.010 253 HA ASP 34 HA ASP 34 1.856 -2.457 2.161 254 1HB ASP 34 2HB ASP 34 1.148 -3.464 0.136 255 2HB ASP 34 1HB ASP 34 2.422 -2.680 -0.791 256 H PHE 35 H PHE 35 3.602 -2.560 3.455 257 HA PHE 35 HA PHE 35 6.177 -1.671 2.387 258 1HB PHE 35 2HB PHE 35 5.237 -2.207 5.196 259 2HB PHE 35 1HB PHE 35 6.829 -1.643 4.719 260 HD1 PHE 35 1HD PHE 35 7.126 0.694 4.027 261 HD2 PHE 35 2HD PHE 35 3.348 -0.781 5.301 262 HE1 PHE 35 1HE PHE 35 6.336 3.002 4.337 263 HE2 PHE 35 2HE PHE 35 2.546 1.509 5.607 264 HZ PHE 35 HZ PHE 35 4.042 3.417 5.129 265 H THR 36 H THR 36 7.325 -3.419 1.640 266 HA THR 36 HA THR 36 7.791 -5.550 3.447 267 HB THR 36 HB THR 36 5.670 -6.260 2.350 268 HG1 THR 36 1HG THR 36 6.449 -8.184 2.740 269 1HG2 THR 36 1HG2 THR 36 5.775 -7.144 0.046 270 2HG2 THR 36 2HG2 THR 36 7.427 -6.544 -0.094 271 3HG2 THR 36 3HG2 THR 36 6.092 -5.407 0.089 272 H ALA 37 H ALA 37 9.125 -7.325 2.220 273 HA ALA 37 HA ALA 37 11.218 -5.977 0.632 274 1HB ALA 37 1HB ALA 37 11.971 -6.531 2.895 275 2HB ALA 37 2HB ALA 37 12.816 -7.496 1.688 276 3HB ALA 37 3HB ALA 37 11.514 -8.214 2.640 277 H SER 38 H SER 38 12.242 -7.303 -0.972 278 HA SER 38 HA SER 38 10.341 -8.914 -2.366 279 1HB SER 38 2HB SER 38 13.256 -8.474 -3.009 280 2HB SER 38 1HB SER 38 12.014 -9.070 -4.109 281 HG SER 38 HG SER 38 12.593 -6.545 -3.319 282 H TRP 39 H TRP 39 12.884 -9.693 -0.178 283 HA TRP 39 HA TRP 39 13.111 -12.430 -1.070 284 1HB TRP 39 2HB TRP 39 14.661 -12.665 0.942 285 2HB TRP 39 1HB TRP 39 15.140 -11.484 -0.259 286 HD1 TRP 39 HD TRP 39 15.347 -9.105 0.445 287 HE1 TRP 39 1HE TRP 39 15.217 -7.808 2.644 288 HE3 TRP 39 3HE TRP 39 13.306 -12.763 3.329 289 HZ2 TRP 39 2HZ TRP 39 14.350 -8.311 5.320 290 HZ3 TRP 39 3HZ TRP 39 12.852 -12.287 5.704 291 HH2 TRP 39 HH TRP 39 13.364 -10.099 6.675 292 H CYS 40 H CYS 40 10.709 -11.004 0.405 293 HA CYS 40 HA CYS 40 10.345 -12.946 2.498 294 1HB CYS 40 2HB CYS 40 9.774 -10.712 3.085 295 2HB CYS 40 1HB CYS 40 8.738 -10.520 1.686 296 H GLY 41 H GLY 41 9.232 -14.731 2.267 297 1HA GLY 41 2HA GLY 41 8.351 -15.717 -0.204 298 2HA GLY 41 1HA GLY 41 7.991 -16.438 1.353 299 HA PRO 42 HA PRO 42 3.694 -15.441 1.117 300 1HB PRO 42 2HB PRO 42 3.220 -13.759 3.286 301 2HB PRO 42 1HB PRO 42 3.245 -15.523 3.362 302 1HG PRO 42 2HG PRO 42 5.387 -13.562 4.069 303 2HG PRO 42 1HG PRO 42 4.948 -15.082 4.864 304 1HD PRO 42 2HD PRO 42 7.102 -14.905 3.280 305 2HD PRO 42 1HD PRO 42 6.100 -16.372 3.314 306 H CYS 43 H CYS 43 5.806 -12.765 1.649 307 HA CYS 43 HA CYS 43 4.086 -10.664 0.905 308 1HB CYS 43 2HB CYS 43 7.069 -10.846 0.755 309 2HB CYS 43 1HB CYS 43 6.121 -9.361 0.813 310 H ARG 44 H ARG 44 6.528 -12.561 -0.911 311 HA ARG 44 HA ARG 44 6.102 -11.152 -3.333 312 1HB ARG 44 2HB ARG 44 8.200 -12.389 -2.849 313 2HB ARG 44 1HB ARG 44 7.309 -13.901 -2.873 314 1HG ARG 44 2HG ARG 44 6.806 -13.596 -5.234 315 2HG ARG 44 1HG ARG 44 7.617 -12.034 -5.214 316 1HD ARG 44 2HD ARG 44 9.052 -13.769 -6.171 317 2HD ARG 44 1HD ARG 44 9.729 -13.111 -4.690 318 HE ARG 44 HE ARG 44 8.968 -15.132 -3.553 319 1HH1 ARG 44 1HH1 ARG 44 9.106 -15.314 -7.111 320 2HH1 ARG 44 2HH1 ARG 44 9.411 -16.991 -7.118 321 1HH2 ARG 44 1HH2 ARG 44 9.403 -17.408 -3.624 322 2HH2 ARG 44 2HH2 ARG 44 9.585 -18.194 -5.142 323 H PHE 45 H PHE 45 4.637 -13.843 -1.787 324 HA PHE 45 HA PHE 45 3.135 -14.834 -3.992 325 1HB PHE 45 2HB PHE 45 3.571 -16.229 -2.045 326 2HB PHE 45 1HB PHE 45 2.705 -15.105 -1.008 327 HD1 PHE 45 1HD PHE 45 2.373 -17.672 -3.614 328 HD2 PHE 45 2HD PHE 45 0.306 -15.135 -0.894 329 HE1 PHE 45 1HE PHE 45 0.309 -18.959 -3.975 330 HE2 PHE 45 2HE PHE 45 -1.761 -16.421 -1.257 331 HZ PHE 45 HZ PHE 45 -1.757 -18.333 -2.796 332 H ILE 46 H ILE 46 2.537 -12.310 -1.595 333 HA ILE 46 HA ILE 46 -0.258 -12.130 -2.362 334 HB ILE 46 HB ILE 46 0.534 -11.839 0.039 335 1HG1 ILE 46 2HG1 ILE 46 -0.945 -9.870 0.546 336 2HG1 ILE 46 1HG1 ILE 46 -1.073 -9.595 -1.189 337 1HG2 ILE 46 1HG2 ILE 46 1.495 -9.156 -0.922 338 2HG2 ILE 46 2HG2 ILE 46 2.505 -10.499 -0.416 339 3HG2 ILE 46 3HG2 ILE 46 1.449 -9.711 0.757 340 1HD1 ILE 46 1HD1 ILE 46 -3.000 -10.783 -0.323 341 2HD1 ILE 46 2HD1 ILE 46 -1.943 -12.051 0.293 342 3HD1 ILE 46 3HD1 ILE 46 -2.096 -11.804 -1.448 343 H ALA 47 H ALA 47 2.663 -10.840 -3.400 344 HA ALA 47 HA ALA 47 2.107 -8.226 -4.063 345 1HB ALA 47 1HB ALA 47 3.911 -10.100 -5.616 346 2HB ALA 47 2HB ALA 47 4.362 -9.189 -4.179 347 3HB ALA 47 3HB ALA 47 3.928 -8.343 -5.663 348 HA PRO 48 HA PRO 48 0.414 -9.546 -8.473 349 1HB PRO 48 2HB PRO 48 -0.654 -12.248 -7.887 350 2HB PRO 48 1HB PRO 48 0.185 -11.670 -9.328 351 1HG PRO 48 2HG PRO 48 1.414 -13.288 -7.616 352 2HG PRO 48 1HG PRO 48 2.286 -11.941 -8.375 353 1HD PRO 48 2HD PRO 48 1.131 -12.143 -5.622 354 2HD PRO 48 1HD PRO 48 2.698 -11.494 -6.138 355 H PHE 49 H PHE 49 -0.953 -10.700 -5.495 356 HA PHE 49 HA PHE 49 -3.707 -10.427 -6.205 357 1HB PHE 49 2HB PHE 49 -2.866 -11.887 -4.354 358 2HB PHE 49 1HB PHE 49 -2.429 -10.444 -3.456 359 HD1 PHE 49 1HD PHE 49 -4.171 -9.061 -2.409 360 HD2 PHE 49 2HD PHE 49 -5.127 -12.579 -4.591 361 HE1 PHE 49 1HE PHE 49 -6.436 -9.056 -1.426 362 HE2 PHE 49 2HE PHE 49 -7.381 -12.573 -3.620 363 HZ PHE 49 HZ PHE 49 -8.031 -10.812 -2.043 364 H PHE 50 H PHE 50 -1.362 -8.437 -4.489 365 HA PHE 50 HA PHE 50 -3.045 -6.222 -3.860 366 1HB PHE 50 2HB PHE 50 -0.851 -6.754 -2.778 367 2HB PHE 50 1HB PHE 50 -0.042 -6.361 -4.282 368 HD1 PHE 50 1HD PHE 50 -2.112 -4.951 -1.558 369 HD2 PHE 50 2HD PHE 50 0.614 -4.147 -4.724 370 HE1 PHE 50 1HE PHE 50 -1.865 -2.646 -0.747 371 HE2 PHE 50 2HE PHE 50 0.859 -1.832 -3.921 372 HZ PHE 50 HZ PHE 50 -0.377 -1.082 -1.929 373 H ALA 51 H ALA 51 -1.150 -7.059 -6.669 374 HA ALA 51 HA ALA 51 -1.449 -4.592 -8.036 375 1HB ALA 51 1HB ALA 51 -1.056 -7.361 -9.191 376 2HB ALA 51 2HB ALA 51 0.232 -6.270 -8.680 377 3HB ALA 51 3HB ALA 51 -0.797 -5.839 -10.047 378 H ASP 52 H ASP 52 -3.355 -7.533 -7.921 379 HA ASP 52 HA ASP 52 -5.293 -6.919 -9.912 380 1HB ASP 52 2HB ASP 52 -4.844 -9.141 -8.775 381 2HB ASP 52 1HB ASP 52 -5.691 -8.505 -7.407 382 H LEU 53 H LEU 53 -5.071 -6.353 -6.498 383 HA LEU 53 HA LEU 53 -7.540 -5.154 -6.019 384 1HB LEU 53 2HB LEU 53 -4.829 -4.848 -4.821 385 2HB LEU 53 1HB LEU 53 -6.172 -4.058 -4.100 386 HG LEU 53 HG LEU 53 -5.629 -6.986 -4.320 387 1HD1 LEU 53 1HD1 LEU 53 -5.978 -5.155 -1.953 388 2HD1 LEU 53 2HD1 LEU 53 -4.449 -5.808 -2.532 389 3HD1 LEU 53 3HD1 LEU 53 -5.677 -6.887 -1.870 390 1HD2 LEU 53 1HD2 LEU 53 -7.734 -7.358 -3.098 391 2HD2 LEU 53 2HD2 LEU 53 -8.002 -6.686 -4.698 392 3HD2 LEU 53 3HD2 LEU 53 -8.123 -5.646 -3.276 393 H ALA 54 H ALA 54 -4.461 -3.639 -6.875 394 HA ALA 54 HA ALA 54 -5.437 -1.006 -7.060 395 1HB ALA 54 1HB ALA 54 -3.142 -2.281 -8.552 396 2HB ALA 54 2HB ALA 54 -3.048 -1.541 -6.954 397 3HB ALA 54 3HB ALA 54 -3.414 -0.550 -8.369 398 H LYS 55 H LYS 55 -5.434 -3.674 -9.230 399 HA LYS 55 HA LYS 55 -6.081 -2.346 -11.613 400 1HB LYS 55 2HB LYS 55 -5.126 -4.587 -11.528 401 2HB LYS 55 1HB LYS 55 -6.570 -5.182 -10.740 402 1HG LYS 55 2HG LYS 55 -7.859 -4.726 -12.745 403 2HG LYS 55 1HG LYS 55 -6.408 -4.106 -13.542 404 1HD LYS 55 2HD LYS 55 -5.325 -6.277 -13.247 405 2HD LYS 55 1HD LYS 55 -6.769 -6.897 -12.459 406 1HE LYS 55 2HE LYS 55 -8.043 -6.507 -14.517 407 2HE LYS 55 1HE LYS 55 -6.582 -5.911 -15.302 408 1HZ LYS 55 1HZ LYS 55 -5.567 -8.081 -14.924 409 2HZ LYS 55 2HZ LYS 55 -6.959 -8.206 -15.865 410 3HZ LYS 55 3HZ LYS 55 -7.007 -8.647 -14.240 411 H LYS 56 H LYS 56 -8.081 -3.612 -9.010 412 HA LYS 56 HA LYS 56 -10.400 -2.847 -10.598 413 1HB LYS 56 2HB LYS 56 -10.376 -4.274 -7.949 414 2HB LYS 56 1HB LYS 56 -11.824 -3.789 -8.815 415 1HG LYS 56 2HG LYS 56 -11.006 -5.193 -10.745 416 2HG LYS 56 1HG LYS 56 -9.760 -5.799 -9.655 417 1HD LYS 56 2HD LYS 56 -11.620 -7.352 -9.693 418 2HD LYS 56 1HD LYS 56 -11.545 -6.580 -8.109 419 1HE LYS 56 2HE LYS 56 -13.331 -5.013 -8.799 420 2HE LYS 56 1HE LYS 56 -13.384 -5.796 -10.372 421 1HZ LYS 56 1HZ LYS 56 -14.097 -7.823 -9.301 422 2HZ LYS 56 2HZ LYS 56 -15.136 -6.542 -8.902 423 3HZ LYS 56 3HZ LYS 56 -14.001 -7.082 -7.780 424 H LEU 57 H LEU 57 -8.632 -1.633 -7.855 425 HA LEU 57 HA LEU 57 -10.668 0.411 -7.598 426 1HB LEU 57 2HB LEU 57 -8.491 -0.484 -5.720 427 2HB LEU 57 1HB LEU 57 -9.408 0.981 -5.490 428 HG LEU 57 HG LEU 57 -11.475 -0.437 -5.284 429 1HD1 LEU 57 1HD1 LEU 57 -9.529 -2.736 -5.210 430 2HD1 LEU 57 2HD1 LEU 57 -10.737 -2.431 -6.455 431 3HD1 LEU 57 3HD1 LEU 57 -11.245 -2.821 -4.812 432 1HD2 LEU 57 1HD2 LEU 57 -10.969 -1.243 -3.033 433 2HD2 LEU 57 2HD2 LEU 57 -10.390 0.401 -3.316 434 3HD2 LEU 57 3HD2 LEU 57 -9.255 -0.952 -3.321 435 HA PRO 58 HA PRO 58 -7.267 2.567 -9.708 436 1HB PRO 58 2HB PRO 58 -8.705 3.890 -11.503 437 2HB PRO 58 1HB PRO 58 -8.390 2.159 -11.679 438 1HG PRO 58 2HG PRO 58 -10.869 3.550 -10.802 439 2HG PRO 58 1HG PRO 58 -10.683 2.072 -11.763 440 1HD PRO 58 2HD PRO 58 -11.234 2.187 -9.007 441 2HD PRO 58 1HD PRO 58 -10.690 0.766 -9.911 442 H ASN 59 H ASN 59 -9.910 3.653 -7.876 443 HA ASN 59 HA ASN 59 -9.079 6.458 -8.057 444 1HB ASN 59 2HB ASN 59 -11.508 5.926 -8.282 445 2HB ASN 59 1HB ASN 59 -11.463 5.229 -6.675 446 1HD2 ASN 59 1HD2 ASN 59 -11.626 6.557 -4.922 447 2HD2 ASN 59 2HD2 ASN 59 -11.880 8.262 -5.026 448 H VAL 60 H VAL 60 -8.208 3.836 -6.507 449 HA VAL 60 HA VAL 60 -7.413 5.238 -4.067 450 HB VAL 60 HB VAL 60 -7.853 2.259 -4.489 451 1HG1 VAL 60 1HG1 VAL 60 -7.399 2.056 -2.070 452 2HG1 VAL 60 2HG1 VAL 60 -6.964 3.774 -2.040 453 3HG1 VAL 60 3HG1 VAL 60 -6.007 2.637 -2.987 454 1HG2 VAL 60 1HG2 VAL 60 -9.665 2.490 -2.841 455 2HG2 VAL 60 2HG2 VAL 60 -9.961 3.454 -4.286 456 3HG2 VAL 60 3HG2 VAL 60 -9.399 4.234 -2.808 457 H LEU 61 H LEU 61 -5.212 5.469 -3.895 458 HA LEU 61 HA LEU 61 -3.672 4.228 -5.961 459 1HB LEU 61 2HB LEU 61 -3.147 6.472 -4.059 460 2HB LEU 61 1HB LEU 61 -1.882 5.741 -5.007 461 HG LEU 61 HG LEU 61 -2.547 7.763 -6.079 462 1HD1 LEU 61 1HD1 LEU 61 -2.013 5.970 -7.588 463 2HD1 LEU 61 2HD1 LEU 61 -3.253 7.011 -8.282 464 3HD1 LEU 61 3HD1 LEU 61 -3.700 5.448 -7.613 465 1HD2 LEU 61 1HD2 LEU 61 -4.840 8.212 -6.849 466 2HD2 LEU 61 2HD2 LEU 61 -4.757 8.049 -5.091 467 3HD2 LEU 61 3HD2 LEU 61 -5.382 6.723 -6.070 468 H PHE 62 H PHE 62 -2.275 2.712 -5.649 469 HA PHE 62 HA PHE 62 -1.822 1.831 -2.903 470 1HB PHE 62 2HB PHE 62 -1.663 0.272 -5.461 471 2HB PHE 62 1HB PHE 62 -1.316 -0.367 -3.881 472 HD1 PHE 62 1HD PHE 62 -4.103 1.084 -5.878 473 HD2 PHE 62 2HD PHE 62 -2.992 -1.270 -2.522 474 HE1 PHE 62 1HE PHE 62 -6.452 0.447 -5.554 475 HE2 PHE 62 2HE PHE 62 -5.343 -1.913 -2.186 476 HZ PHE 62 HZ PHE 62 -7.077 -1.054 -3.707 477 H LEU 63 H LEU 63 0.141 1.564 -2.267 478 HA LEU 63 HA LEU 63 2.344 2.213 -4.094 479 1HB LEU 63 2HB LEU 63 1.934 3.197 -1.288 480 2HB LEU 63 1HB LEU 63 3.521 3.139 -2.010 481 HG LEU 63 HG LEU 63 2.733 4.730 -3.762 482 1HD1 LEU 63 1HD1 LEU 63 0.689 6.003 -3.419 483 2HD1 LEU 63 2HD1 LEU 63 0.259 4.936 -2.078 484 3HD1 LEU 63 3HD1 LEU 63 0.359 4.298 -3.721 485 1HD2 LEU 63 1HD2 LEU 63 3.952 5.529 -1.849 486 2HD2 LEU 63 2HD2 LEU 63 2.456 5.663 -0.923 487 3HD2 LEU 63 3HD2 LEU 63 2.722 6.701 -2.323 488 H LYS 64 H LYS 64 4.193 1.138 -3.861 489 HA LYS 64 HA LYS 64 4.134 -1.205 -2.058 490 1HB LYS 64 2HB LYS 64 3.864 -1.349 -4.682 491 2HB LYS 64 1HB LYS 64 5.565 -0.995 -4.712 492 1HG LYS 64 2HG LYS 64 4.309 -3.445 -3.443 493 2HG LYS 64 1HG LYS 64 4.963 -3.379 -5.061 494 1HD LYS 64 2HD LYS 64 6.629 -4.436 -3.796 495 2HD LYS 64 1HD LYS 64 7.183 -2.771 -3.910 496 1HE LYS 64 2HE LYS 64 6.369 -2.328 -1.679 497 2HE LYS 64 1HE LYS 64 5.705 -3.961 -1.575 498 1HZ LYS 64 1HZ LYS 64 8.576 -3.319 -1.935 499 2HZ LYS 64 2HZ LYS 64 7.939 -4.852 -1.719 500 3HZ LYS 64 3HZ LYS 64 7.870 -3.714 -0.468 501 H VAL 65 H VAL 65 5.626 -0.749 -0.506 502 HA VAL 65 HA VAL 65 7.936 0.938 -1.171 503 HB VAL 65 HB VAL 65 6.711 0.275 1.527 504 1HG1 VAL 65 1HG1 VAL 65 8.280 1.933 2.444 505 2HG1 VAL 65 2HG1 VAL 65 9.025 2.086 0.853 506 3HG1 VAL 65 3HG1 VAL 65 9.129 0.561 1.728 507 1HG2 VAL 65 1HG2 VAL 65 6.106 2.636 1.567 508 2HG2 VAL 65 2HG2 VAL 65 5.369 1.802 0.196 509 3HG2 VAL 65 3HG2 VAL 65 6.776 2.837 -0.051 510 H ASP 66 H ASP 66 9.813 0.004 -1.381 511 HA ASP 66 HA ASP 66 10.150 -2.758 -0.538 512 1HB ASP 66 2HB ASP 66 10.873 -2.031 -2.803 513 2HB ASP 66 1HB ASP 66 12.017 -0.955 -1.992 514 H THR 67 H THR 67 10.840 -3.119 1.449 515 HA THR 67 HA THR 67 11.928 -1.031 3.009 516 HB THR 67 HB THR 67 12.022 -2.770 4.797 517 HG1 THR 67 1HG THR 67 11.006 -4.815 4.178 518 1HG2 THR 67 1HG2 THR 67 9.423 -2.640 3.244 519 2HG2 THR 67 2HG2 THR 67 9.970 -1.440 4.408 520 3HG2 THR 67 3HG2 THR 67 9.584 -3.077 4.945 521 H ASP 68 H ASP 68 13.521 -3.293 0.889 522 HA ASP 68 HA ASP 68 15.821 -3.530 2.455 523 1HB ASP 68 2HB ASP 68 15.163 -4.033 -0.429 524 2HB ASP 68 1HB ASP 68 16.695 -4.405 0.333 525 H GLU 69 H GLU 69 14.557 -1.497 -0.059 526 HA GLU 69 HA GLU 69 16.968 -0.014 -0.292 527 1HB GLU 69 2HB GLU 69 14.277 0.050 -1.531 528 2HB GLU 69 1HB GLU 69 15.424 1.344 -1.804 529 1HG GLU 69 2HG GLU 69 17.037 -0.314 -2.678 530 2HG GLU 69 1HG GLU 69 15.876 -1.589 -2.356 531 H LEU 70 H LEU 70 13.567 0.746 0.694 532 HA LEU 70 HA LEU 70 14.482 3.141 1.950 533 1HB LEU 70 2HB LEU 70 11.804 1.884 1.443 534 2HB LEU 70 1HB LEU 70 12.002 3.300 2.431 535 HG LEU 70 HG LEU 70 12.985 4.458 0.406 536 1HD1 LEU 70 1HD1 LEU 70 12.524 3.528 -1.785 537 2HD1 LEU 70 2HD1 LEU 70 11.957 2.035 -1.028 538 3HD1 LEU 70 3HD1 LEU 70 13.641 2.528 -0.856 539 1HD2 LEU 70 1HD2 LEU 70 10.155 3.467 0.119 540 2HD2 LEU 70 2HD2 LEU 70 10.843 4.890 -0.660 541 3HD2 LEU 70 3HD2 LEU 70 10.674 4.841 1.093 542 H LYS 71 H LYS 71 15.717 1.430 3.164 543 HA LYS 71 HA LYS 71 14.461 -0.248 5.067 544 1HB LYS 71 2HB LYS 71 16.713 -0.537 3.989 545 2HB LYS 71 1HB LYS 71 17.303 0.731 5.044 546 1HG LYS 71 2HG LYS 71 16.745 -0.652 6.990 547 2HG LYS 71 1HG LYS 71 16.149 -1.887 5.863 548 1HD LYS 71 2HD LYS 71 18.353 -2.052 4.841 549 2HD LYS 71 1HD LYS 71 18.962 -0.832 5.954 550 1HE LYS 71 2HE LYS 71 18.540 -2.282 7.834 551 2HE LYS 71 1HE LYS 71 17.821 -3.487 6.777 552 1HZ LYS 71 1HZ LYS 71 20.646 -2.583 6.709 553 2HZ LYS 71 2HZ LYS 71 19.956 -3.690 5.650 554 3HZ LYS 71 3HZ LYS 71 20.085 -4.071 7.288 555 H SER 72 H SER 72 15.864 2.974 5.192 556 HA SER 72 HA SER 72 15.703 3.292 8.001 557 1HB SER 72 2HB SER 72 15.707 5.365 5.833 558 2HB SER 72 1HB SER 72 16.139 5.641 7.520 559 HG SER 72 HG SER 72 17.985 4.584 7.266 560 H VAL 73 H VAL 73 13.542 3.847 5.310 561 HA VAL 73 HA VAL 73 11.541 5.303 6.693 562 HB VAL 73 HB VAL 73 11.263 3.549 4.230 563 1HG1 VAL 73 1HG1 VAL 73 9.458 5.743 5.235 564 2HG1 VAL 73 2HG1 VAL 73 9.097 4.013 5.219 565 3HG1 VAL 73 3HG1 VAL 73 9.282 4.892 3.699 566 1HG2 VAL 73 1HG2 VAL 73 11.801 6.507 4.455 567 2HG2 VAL 73 2HG2 VAL 73 11.467 5.643 2.954 568 3HG2 VAL 73 3HG2 VAL 73 12.917 5.265 3.884 569 H ALA 74 H ALA 74 12.092 1.890 6.052 570 HA ALA 74 HA ALA 74 9.752 0.820 7.124 571 1HB ALA 74 1HB ALA 74 11.013 -1.258 7.394 572 2HB ALA 74 2HB ALA 74 12.527 -0.378 7.183 573 3HB ALA 74 3HB ALA 74 11.385 -0.497 5.847 574 H SER 75 H SER 75 12.797 1.700 8.694 575 HA SER 75 HA SER 75 12.137 0.787 11.270 576 1HB SER 75 2HB SER 75 13.984 3.029 10.460 577 2HB SER 75 1HB SER 75 13.999 2.177 12.006 578 HG SER 75 HG SER 75 14.252 0.242 10.493 579 H ASP 76 H ASP 76 11.702 3.914 9.642 580 HA ASP 76 HA ASP 76 10.868 5.355 11.944 581 1HB ASP 76 2HB ASP 76 11.770 6.425 9.892 582 2HB ASP 76 1HB ASP 76 10.298 5.975 9.043 583 H TRP 77 H TRP 77 9.102 3.556 9.475 584 HA TRP 77 HA TRP 77 6.645 4.399 10.651 585 1HB TRP 77 2HB TRP 77 7.239 2.817 8.202 586 2HB TRP 77 1HB TRP 77 5.583 3.060 8.770 587 HD1 TRP 77 HD TRP 77 8.574 5.023 7.345 588 HE1 TRP 77 1HE TRP 77 7.733 7.256 6.407 589 HE3 TRP 77 3HE TRP 77 3.708 4.761 8.887 590 HZ2 TRP 77 2HZ TRP 77 5.323 8.719 6.313 591 HZ3 TRP 77 3HZ TRP 77 2.200 6.619 8.330 592 HH2 TRP 77 HH TRP 77 2.986 8.556 7.072 593 H ALA 78 H ALA 78 8.752 2.264 11.563 594 HA ALA 78 HA ALA 78 8.787 0.509 12.980 595 1HB ALA 78 1HB ALA 78 6.840 0.121 14.418 596 2HB ALA 78 2HB ALA 78 5.840 1.096 13.344 597 3HB ALA 78 3HB ALA 78 7.157 1.847 14.246 598 H ILE 79 H ILE 79 8.699 -0.188 10.358 599 HA ILE 79 HA ILE 79 6.861 -2.472 10.315 600 HB ILE 79 HB ILE 79 8.251 -1.207 7.942 601 1HG1 ILE 79 2HG1 ILE 79 6.583 0.357 8.826 602 2HG1 ILE 79 1HG1 ILE 79 6.028 -0.322 7.303 603 1HG2 ILE 79 1HG2 ILE 79 7.768 -3.569 7.637 604 2HG2 ILE 79 2HG2 ILE 79 6.734 -2.592 6.599 605 3HG2 ILE 79 3HG2 ILE 79 6.079 -3.304 8.076 606 1HD1 ILE 79 1HD1 ILE 79 5.122 -1.132 10.056 607 2HD1 ILE 79 2HD1 ILE 79 4.554 -1.839 8.540 608 3HD1 ILE 79 3HD1 ILE 79 4.226 -0.141 8.905 609 H GLN 80 H GLN 80 8.204 -3.847 11.502 610 HA GLN 80 HA GLN 80 10.625 -4.676 10.134 611 1HB GLN 80 2HB GLN 80 9.654 -5.204 12.950 612 2HB GLN 80 1HB GLN 80 11.046 -5.998 12.241 613 1HG GLN 80 2HG GLN 80 11.829 -4.236 13.644 614 2HG GLN 80 1HG GLN 80 12.102 -3.751 11.979 615 1HE2 GLN 80 1HE2 GLN 80 12.187 -1.596 12.470 616 2HE2 GLN 80 2HE2 GLN 80 10.804 -0.689 12.990 617 H ALA 81 H ALA 81 7.560 -5.768 11.443 618 HA ALA 81 HA ALA 81 7.888 -8.408 10.302 619 1HB ALA 81 1HB ALA 81 6.682 -8.145 12.410 620 2HB ALA 81 2HB ALA 81 5.619 -8.808 11.167 621 3HB ALA 81 3HB ALA 81 5.498 -7.107 11.617 622 H MET 82 H MET 82 7.448 -8.828 8.243 623 HA MET 82 HA MET 82 5.793 -6.920 6.771 624 1HB MET 82 2HB MET 82 8.167 -8.548 5.878 625 2HB MET 82 1HB MET 82 7.196 -7.539 4.821 626 1HG MET 82 2HG MET 82 7.858 -5.547 6.061 627 2HG MET 82 1HG MET 82 8.747 -6.554 7.203 628 1HE MET 82 1HE MET 82 10.965 -7.798 6.686 629 2HE MET 82 2HE MET 82 11.710 -7.878 5.092 630 3HE MET 82 3HE MET 82 10.172 -8.687 5.384 631 HA PRO 83 HA PRO 83 5.133 -6.824 4.761 632 1HB PRO 83 2HB PRO 83 2.983 -6.975 3.196 633 2HB PRO 83 1HB PRO 83 4.453 -7.863 2.786 634 1HG PRO 83 2HG PRO 83 1.901 -8.865 3.916 635 2HG PRO 83 1HG PRO 83 3.040 -9.659 2.816 636 1HD PRO 83 2HD PRO 83 2.849 -10.023 5.622 637 2HD PRO 83 1HD PRO 83 4.130 -10.628 4.560 638 H THR 84 H THR 84 3.932 -4.923 5.105 639 HA THR 84 HA THR 84 1.568 -5.254 6.799 640 HB THR 84 HB THR 84 3.493 -3.027 6.810 641 HG1 THR 84 1HG THR 84 3.821 -5.355 7.830 642 1HG2 THR 84 1HG2 THR 84 1.255 -2.326 7.479 643 2HG2 THR 84 2HG2 THR 84 2.313 -2.312 8.891 644 3HG2 THR 84 3HG2 THR 84 1.176 -3.639 8.655 645 H PHE 85 H PHE 85 -0.224 -4.491 5.910 646 HA PHE 85 HA PHE 85 0.012 -2.669 3.669 647 1HB PHE 85 2HB PHE 85 -2.234 -4.409 4.685 648 2HB PHE 85 1HB PHE 85 -2.294 -3.380 3.268 649 HD1 PHE 85 1HD PHE 85 -1.082 -4.007 1.241 650 HD2 PHE 85 2HD PHE 85 -1.093 -6.522 4.672 651 HE1 PHE 85 1HE PHE 85 -0.260 -5.874 -0.128 652 HE2 PHE 85 2HE PHE 85 -0.264 -8.392 3.308 653 HZ PHE 85 HZ PHE 85 0.152 -8.062 0.902 654 H MET 86 H MET 86 -0.422 -0.639 4.188 655 HA MET 86 HA MET 86 -2.106 -0.186 6.539 656 1HB MET 86 2HB MET 86 0.206 0.580 6.849 657 2HB MET 86 1HB MET 86 0.052 1.621 5.436 658 1HG MET 86 2HG MET 86 -1.585 2.983 6.571 659 2HG MET 86 1HG MET 86 -1.613 1.894 7.947 660 1HE MET 86 1HE MET 86 2.054 4.502 6.842 661 2HE MET 86 2HE MET 86 0.514 4.674 6.037 662 3HE MET 86 3HE MET 86 1.457 3.197 5.817 663 H PHE 87 H PHE 87 -3.976 0.653 6.203 664 HA PHE 87 HA PHE 87 -4.641 1.682 3.604 665 1HB PHE 87 2HB PHE 87 -6.127 0.532 5.920 666 2HB PHE 87 1HB PHE 87 -6.929 1.228 4.536 667 HD1 PHE 87 1HD PHE 87 -4.761 -1.520 5.716 668 HD2 PHE 87 2HD PHE 87 -7.129 -0.035 2.512 669 HE1 PHE 87 1HE PHE 87 -4.630 -3.714 4.607 670 HE2 PHE 87 2HE PHE 87 -7.003 -2.222 1.399 671 HZ PHE 87 HZ PHE 87 -5.754 -4.062 2.442 672 H LEU 88 H LEU 88 -4.757 3.840 3.515 673 HA LEU 88 HA LEU 88 -5.514 5.166 5.974 674 1HB LEU 88 2HB LEU 88 -3.866 6.381 3.726 675 2HB LEU 88 1HB LEU 88 -4.290 7.167 5.217 676 HG LEU 88 HG LEU 88 -2.813 5.412 6.379 677 1HD1 LEU 88 1HD1 LEU 88 -1.091 4.372 5.021 678 2HD1 LEU 88 2HD1 LEU 88 -1.835 5.003 3.564 679 3HD1 LEU 88 3HD1 LEU 88 -2.694 3.817 4.547 680 1HD2 LEU 88 1HD2 LEU 88 -2.159 7.739 6.092 681 2HD2 LEU 88 2HD2 LEU 88 -1.566 7.386 4.470 682 3HD2 LEU 88 3HD2 LEU 88 -0.775 6.668 5.874 683 H LYS 89 H LYS 89 -6.788 7.174 5.481 684 HA LYS 89 HA LYS 89 -7.900 7.232 2.796 685 1HB LYS 89 2HB LYS 89 -9.552 6.086 4.176 686 2HB LYS 89 1HB LYS 89 -9.504 7.416 5.327 687 1HG LYS 89 2HG LYS 89 -10.426 8.922 3.688 688 2HG LYS 89 1HG LYS 89 -10.425 7.648 2.465 689 1HD LYS 89 2HD LYS 89 -12.027 6.384 3.818 690 2HD LYS 89 1HD LYS 89 -11.993 7.653 5.042 691 1HE LYS 89 2HE LYS 89 -12.854 9.252 3.407 692 2HE LYS 89 1HE LYS 89 -12.878 7.990 2.182 693 1HZ LYS 89 1HZ LYS 89 -14.472 6.779 3.542 694 2HZ LYS 89 2HZ LYS 89 -15.066 8.302 3.144 695 3HZ LYS 89 3HZ LYS 89 -14.472 8.004 4.688 696 H GLU 90 H GLU 90 -7.515 9.053 1.963 697 HA GLU 90 HA GLU 90 -7.335 11.112 1.558 698 1HB GLU 90 2HB GLU 90 -8.629 11.516 4.217 699 2HB GLU 90 1HB GLU 90 -8.344 12.855 3.117 700 1HG GLU 90 2HG GLU 90 -9.795 11.829 1.470 701 2HG GLU 90 1HG GLU 90 -10.029 10.422 2.499 702 H GLY 91 H GLY 91 -5.334 9.628 3.090 703 1HA GLY 91 2HA GLY 91 -3.105 10.183 3.616 704 2HA GLY 91 1HA GLY 91 -3.619 11.840 3.913 705 H LYS 92 H LYS 92 -5.854 10.115 5.473 706 HA LYS 92 HA LYS 92 -4.393 10.263 8.001 707 1HB LYS 92 2HB LYS 92 -7.362 10.037 7.438 708 2HB LYS 92 1HB LYS 92 -6.639 10.222 9.033 709 1HG LYS 92 2HG LYS 92 -5.794 12.417 8.418 710 2HG LYS 92 1HG LYS 92 -6.441 12.228 6.792 711 1HD LYS 92 2HD LYS 92 -7.891 13.642 8.125 712 2HD LYS 92 1HD LYS 92 -8.714 12.135 7.727 713 1HE LYS 92 2HE LYS 92 -8.286 11.277 9.956 714 2HE LYS 92 1HE LYS 92 -7.326 12.705 10.347 715 1HZ LYS 92 1HZ LYS 92 -9.282 14.055 10.108 716 2HZ LYS 92 2HZ LYS 92 -9.584 12.874 11.260 717 3HZ LYS 92 3HZ LYS 92 -10.238 12.739 9.705 718 H ILE 93 H ILE 93 -3.967 8.447 9.125 719 HA ILE 93 HA ILE 93 -4.158 5.932 7.797 720 HB ILE 93 HB ILE 93 -3.355 6.513 10.665 721 1HG1 ILE 93 2HG1 ILE 93 -1.630 6.161 8.196 722 2HG1 ILE 93 1HG1 ILE 93 -1.949 7.692 8.999 723 1HG2 ILE 93 1HG2 ILE 93 -2.867 4.067 8.954 724 2HG2 ILE 93 2HG2 ILE 93 -3.951 4.168 10.342 725 3HG2 ILE 93 3HG2 ILE 93 -2.207 4.331 10.569 726 1HD1 ILE 93 1HD1 ILE 93 -0.483 5.339 10.176 727 2HD1 ILE 93 2HD1 ILE 93 -0.802 6.866 11.002 728 3HD1 ILE 93 3HD1 ILE 93 0.244 6.835 9.583 729 H LEU 94 H LEU 94 -5.825 4.510 7.830 730 HA LEU 94 HA LEU 94 -7.813 4.846 9.914 731 1HB LEU 94 2HB LEU 94 -7.843 3.376 7.314 732 2HB LEU 94 1HB LEU 94 -9.147 3.268 8.457 733 HG LEU 94 HG LEU 94 -8.265 5.657 6.851 734 1HD1 LEU 94 1HD1 LEU 94 -9.673 4.106 5.668 735 2HD1 LEU 94 2HD1 LEU 94 -10.587 5.568 6.039 736 3HD1 LEU 94 3HD1 LEU 94 -10.841 4.106 6.985 737 1HD2 LEU 94 1HD2 LEU 94 -10.047 6.917 7.962 738 2HD2 LEU 94 2HD2 LEU 94 -8.774 6.462 9.082 739 3HD2 LEU 94 3HD2 LEU 94 -10.303 5.577 9.077 740 H ASP 95 H ASP 95 -6.129 2.239 8.196 741 HA ASP 95 HA ASP 95 -5.773 0.833 10.648 742 1HB ASP 95 2HB ASP 95 -6.811 -1.231 9.649 743 2HB ASP 95 1HB ASP 95 -7.921 -0.097 10.414 744 H LYS 96 H LYS 96 -4.548 -1.091 10.474 745 HA LYS 96 HA LYS 96 -3.130 -1.405 7.956 746 1HB LYS 96 2HB LYS 96 -0.941 -1.384 9.094 747 2HB LYS 96 1HB LYS 96 -1.760 0.166 9.252 748 1HG LYS 96 2HG LYS 96 -2.454 -0.443 11.513 749 2HG LYS 96 1HG LYS 96 -1.604 -1.980 11.346 750 1HD LYS 96 2HD LYS 96 0.501 -0.734 11.035 751 2HD LYS 96 1HD LYS 96 -0.385 0.776 11.277 752 1HE LYS 96 2HE LYS 96 -0.098 -1.471 13.270 753 2HE LYS 96 1HE LYS 96 0.717 0.084 13.339 754 1HZ LYS 96 1HZ LYS 96 -2.222 -0.347 13.540 755 2HZ LYS 96 2HZ LYS 96 -1.482 1.153 13.579 756 3HZ LYS 96 3HZ LYS 96 -1.201 0.049 14.804 757 H VAL 97 H VAL 97 -2.589 -3.440 7.538 758 HA VAL 97 HA VAL 97 -3.214 -5.477 9.575 759 HB VAL 97 HB VAL 97 -3.429 -5.731 6.552 760 1HG1 VAL 97 1HG1 VAL 97 -4.196 -7.684 8.723 761 2HG1 VAL 97 2HG1 VAL 97 -2.848 -7.853 7.602 762 3HG1 VAL 97 3HG1 VAL 97 -4.505 -7.895 7.000 763 1HG2 VAL 97 1HG2 VAL 97 -5.859 -5.844 6.912 764 2HG2 VAL 97 2HG2 VAL 97 -5.191 -4.301 7.447 765 3HG2 VAL 97 3HG2 VAL 97 -5.608 -5.541 8.631 766 H VAL 98 H VAL 98 -1.529 -6.692 10.168 767 HA VAL 98 HA VAL 98 0.858 -6.619 8.495 768 HB VAL 98 HB VAL 98 1.168 -5.788 10.801 769 1HG1 VAL 98 1HG1 VAL 98 0.366 -8.544 11.700 770 2HG1 VAL 98 2HG1 VAL 98 -0.528 -7.049 11.970 771 3HG1 VAL 98 3HG1 VAL 98 1.044 -7.288 12.734 772 1HG2 VAL 98 1HG2 VAL 98 3.072 -6.822 9.708 773 2HG2 VAL 98 2HG2 VAL 98 2.572 -8.408 10.296 774 3HG2 VAL 98 3HG2 VAL 98 3.104 -7.173 11.436 775 H GLY 99 H GLY 99 1.686 -8.439 7.653 776 1HA GLY 99 2HA GLY 99 2.016 -10.765 7.422 777 2HA GLY 99 1HA GLY 99 0.687 -11.036 8.547 778 H ALA 100 H ALA 100 1.400 -11.730 5.548 779 HA ALA 100 HA ALA 100 -0.925 -10.570 4.260 780 1HB ALA 100 1HB ALA 100 -0.150 -11.696 2.253 781 2HB ALA 100 2HB ALA 100 1.085 -12.541 3.186 782 3HB ALA 100 3HB ALA 100 1.164 -10.790 3.002 783 H LYS 101 H LYS 101 -2.778 -11.407 4.901 784 HA LYS 101 HA LYS 101 -3.151 -14.224 4.395 785 1HB LYS 101 2HB LYS 101 -3.250 -13.657 6.790 786 2HB LYS 101 1HB LYS 101 -4.565 -12.527 6.458 787 1HG LYS 101 2HG LYS 101 -5.876 -14.370 5.536 788 2HG LYS 101 1HG LYS 101 -4.495 -15.403 5.876 789 1HD LYS 101 2HD LYS 101 -5.999 -13.913 7.925 790 2HD LYS 101 1HD LYS 101 -6.370 -15.580 7.456 791 1HE LYS 101 2HE LYS 101 -5.072 -15.772 9.456 792 2HE LYS 101 1HE LYS 101 -3.967 -16.119 8.140 793 1HZ LYS 101 1HZ LYS 101 -3.042 -13.825 8.403 794 2HZ LYS 101 2HZ LYS 101 -2.977 -14.701 9.819 795 3HZ LYS 101 3HZ LYS 101 -4.160 -13.554 9.634 796 H LYS 102 H LYS 102 -4.257 -14.342 2.549 797 HA LYS 102 HA LYS 102 -5.294 -12.271 1.134 798 1HB LYS 102 2HB LYS 102 -4.765 -14.419 0.170 799 2HB LYS 102 1HB LYS 102 -6.078 -15.164 1.073 800 1HG LYS 102 2HG LYS 102 -7.679 -13.827 -0.122 801 2HG LYS 102 1HG LYS 102 -6.372 -13.071 -1.042 802 1HD LYS 102 2HD LYS 102 -7.054 -16.021 -1.060 803 2HD LYS 102 1HD LYS 102 -7.513 -14.874 -2.317 804 1HE LYS 102 2HE LYS 102 -5.126 -14.436 -2.754 805 2HE LYS 102 1HE LYS 102 -4.694 -15.620 -1.520 806 1HZ LYS 102 1HZ LYS 102 -4.587 -16.564 -3.721 807 2HZ LYS 102 2HZ LYS 102 -6.187 -16.168 -4.023 808 3HZ LYS 102 3HZ LYS 102 -5.815 -17.326 -2.842 809 H ASP 103 H ASP 103 -7.121 -14.516 3.183 810 HA ASP 103 HA ASP 103 -9.662 -13.424 2.665 811 1HB ASP 103 2HB ASP 103 -9.496 -15.606 3.660 812 2HB ASP 103 1HB ASP 103 -8.677 -14.950 5.075 813 H GLU 104 H GLU 104 -7.346 -12.709 5.214 814 HA GLU 104 HA GLU 104 -8.986 -10.878 6.641 815 1HB GLU 104 2HB GLU 104 -6.942 -11.982 7.564 816 2HB GLU 104 1HB GLU 104 -5.973 -11.006 6.472 817 1HG GLU 104 2HG GLU 104 -5.903 -10.061 8.676 818 2HG GLU 104 1HG GLU 104 -6.791 -8.983 7.600 819 H LEU 105 H LEU 105 -6.630 -10.525 4.084 820 HA LEU 105 HA LEU 105 -6.585 -7.734 3.987 821 1HB LEU 105 2HB LEU 105 -5.049 -9.370 2.844 822 2HB LEU 105 1HB LEU 105 -6.318 -9.648 1.708 823 HG LEU 105 HG LEU 105 -6.294 -7.391 0.923 824 1HD1 LEU 105 1HD1 LEU 105 -5.626 -6.231 2.979 825 2HD1 LEU 105 2HD1 LEU 105 -4.530 -5.804 1.665 826 3HD1 LEU 105 3HD1 LEU 105 -4.024 -6.964 2.887 827 1HD2 LEU 105 1HD2 LEU 105 -4.091 -7.376 -0.159 828 2HD2 LEU 105 2HD2 LEU 105 -4.791 -9.001 -0.134 829 3HD2 LEU 105 3HD2 LEU 105 -3.522 -8.570 1.005 830 H GLN 106 H GLN 106 -8.400 -10.092 2.190 831 HA GLN 106 HA GLN 106 -10.098 -8.342 0.776 832 1HB GLN 106 2HB GLN 106 -10.540 -11.184 1.649 833 2HB GLN 106 1HB GLN 106 -11.739 -10.297 0.716 834 1HG GLN 106 2HG GLN 106 -8.901 -10.779 -0.130 835 2HG GLN 106 1HG GLN 106 -10.291 -11.729 -0.663 836 1HE2 GLN 106 1HE2 GLN 106 -8.667 -8.645 -0.906 837 2HE2 GLN 106 2HE2 GLN 106 -9.585 -8.079 -2.260 838 H SER 107 H SER 107 -10.376 -9.555 4.040 839 HA SER 107 HA SER 107 -13.047 -8.618 4.432 840 1HB SER 107 2HB SER 107 -10.894 -9.170 6.493 841 2HB SER 107 1HB SER 107 -12.627 -9.049 6.810 842 HG SER 107 HG SER 107 -11.331 -10.960 5.165 843 H THR 108 H THR 108 -9.866 -7.284 4.820 844 HA THR 108 HA THR 108 -10.662 -4.888 6.102 845 HB THR 108 HB THR 108 -8.164 -5.428 4.456 846 HG1 THR 108 1HG THR 108 -8.277 -6.970 6.109 847 1HG2 THR 108 1HG2 THR 108 -7.175 -3.687 5.902 848 2HG2 THR 108 2HG2 THR 108 -8.722 -3.467 6.713 849 3HG2 THR 108 3HG2 THR 108 -8.551 -3.047 5.009 850 H ILE 109 H ILE 109 -10.125 -5.890 2.753 851 HA ILE 109 HA ILE 109 -10.551 -3.416 1.499 852 HB ILE 109 HB ILE 109 -11.234 -6.198 0.482 853 1HG1 ILE 109 2HG1 ILE 109 -8.839 -5.948 0.940 854 2HG1 ILE 109 1HG1 ILE 109 -9.126 -6.049 -0.788 855 1HG2 ILE 109 1HG2 ILE 109 -11.227 -5.243 -1.781 856 2HG2 ILE 109 2HG2 ILE 109 -11.026 -3.634 -1.089 857 3HG2 ILE 109 3HG2 ILE 109 -12.497 -4.550 -0.770 858 1HD1 ILE 109 1HD1 ILE 109 -8.874 -3.622 -0.969 859 2HD1 ILE 109 2HD1 ILE 109 -7.440 -4.384 -0.275 860 3HD1 ILE 109 3HD1 ILE 109 -8.576 -3.528 0.768 861 H ALA 110 H ALA 110 -12.859 -6.013 2.276 862 HA ALA 110 HA ALA 110 -15.123 -4.606 1.374 863 1HB ALA 110 1HB ALA 110 -16.435 -6.305 2.554 864 2HB ALA 110 2HB ALA 110 -14.988 -6.827 3.421 865 3HB ALA 110 3HB ALA 110 -15.097 -7.050 1.680 866 H LYS 111 H LYS 111 -13.454 -4.603 4.423 867 HA LYS 111 HA LYS 111 -15.242 -3.297 6.123 868 1HB LYS 111 2HB LYS 111 -12.950 -4.180 6.636 869 2HB LYS 111 1HB LYS 111 -12.381 -2.784 5.764 870 1HG LYS 111 2HG LYS 111 -13.458 -1.282 7.387 871 2HG LYS 111 1HG LYS 111 -13.915 -2.696 8.343 872 1HD LYS 111 2HD LYS 111 -11.552 -3.290 8.587 873 2HD LYS 111 1HD LYS 111 -11.102 -1.871 7.645 874 1HE LYS 111 2HE LYS 111 -12.210 -0.445 9.342 875 2HE LYS 111 1HE LYS 111 -12.514 -1.892 10.303 876 1HZ LYS 111 1HZ LYS 111 -10.542 -0.771 11.086 877 2HZ LYS 111 2HZ LYS 111 -9.898 -0.771 9.535 878 3HZ LYS 111 3HZ LYS 111 -10.069 -2.238 10.360 879 H HIS 112 H HIS 112 -12.910 -2.041 3.817 880 HA HIS 112 HA HIS 112 -13.597 0.692 4.253 881 1HB HIS 112 2HB HIS 112 -11.786 -0.689 2.299 882 2HB HIS 112 1HB HIS 112 -12.088 1.032 2.242 883 HD1 HIS 112 1HD HIS 112 -10.773 2.473 3.866 884 HD2 HIS 112 2HD HIS 112 -10.305 -1.579 4.612 885 HE1 HIS 112 1HE HIS 112 -8.841 2.280 5.485 886 HE2 HIS 112 2HE HIS 112 -8.724 -0.152 6.066 887 H LEU 113 H LEU 113 -14.366 -1.759 1.678 888 HA LEU 113 HA LEU 113 -15.640 0.216 0.177 889 1HB LEU 113 2HB LEU 113 -14.929 -2.605 -0.042 890 2HB LEU 113 1HB LEU 113 -16.177 -1.997 -1.087 891 HG LEU 113 HG LEU 113 -14.062 -2.039 -2.268 892 1HD1 LEU 113 1HD1 LEU 113 -14.758 0.798 -1.572 893 2HD1 LEU 113 2HD1 LEU 113 -15.489 -0.197 -2.834 894 3HD1 LEU 113 3HD1 LEU 113 -13.796 0.279 -2.955 895 1HD2 LEU 113 1HD2 LEU 113 -12.965 -0.330 -0.041 896 2HD2 LEU 113 2HD2 LEU 113 -12.124 -0.675 -1.542 897 3HD2 LEU 113 3HD2 LEU 113 -12.498 -1.989 -0.416 898 H ALA 114 H ALA 114 -17.410 0.898 1.162 899 HA ALA 114 HA ALA 114 -19.379 -1.024 2.089 900 1HB ALA 114 1HB ALA 114 -18.831 0.824 3.616 901 2HB ALA 114 2HB ALA 114 -20.503 0.931 3.072 902 3HB ALA 114 3HB ALA 114 -19.280 1.991 2.372 Start of MODEL 10 1 H MET 1 H MET 1 -7.724 -0.288 -21.336 2 HA MET 1 HA MET 1 -7.079 -0.682 -24.153 3 1HB MET 1 2HB MET 1 -8.869 0.950 -24.618 4 2HB MET 1 1HB MET 1 -9.446 -0.407 -23.672 5 1HG MET 1 2HG MET 1 -9.384 0.975 -21.654 6 2HG MET 1 1HG MET 1 -8.788 2.336 -22.604 7 1HE MET 1 1HE MET 1 -10.212 3.555 -24.498 8 2HE MET 1 2HE MET 1 -11.857 3.095 -24.936 9 3HE MET 1 3HE MET 1 -10.515 2.022 -25.319 10 H ALA 2 H ALA 2 -5.230 0.246 -22.237 11 HA ALA 2 HA ALA 2 -3.425 1.544 -22.141 12 1HB ALA 2 1HB ALA 2 -2.803 3.120 -23.881 13 2HB ALA 2 2HB ALA 2 -4.445 3.096 -24.527 14 3HB ALA 2 3HB ALA 2 -3.444 1.649 -24.617 15 H SER 3 H SER 3 -3.814 2.247 -20.207 16 HA SER 3 HA SER 3 -4.190 5.045 -19.874 17 1HB SER 3 2HB SER 3 -6.053 3.079 -18.480 18 2HB SER 3 1HB SER 3 -5.984 4.816 -18.209 19 HG SER 3 HG SER 3 -6.325 4.415 -20.789 20 H GLU 4 H GLU 4 -3.396 5.532 -17.613 21 HA GLU 4 HA GLU 4 -1.721 3.462 -16.695 22 1HB GLU 4 2HB GLU 4 -1.160 5.167 -14.958 23 2HB GLU 4 1HB GLU 4 -0.764 5.618 -16.613 24 1HG GLU 4 2HG GLU 4 -2.802 7.009 -16.655 25 2HG GLU 4 1HG GLU 4 -3.126 6.561 -14.983 26 H GLU 5 H GLU 5 -3.106 1.892 -16.130 27 HA GLU 5 HA GLU 5 -4.755 2.366 -13.739 28 1HB GLU 5 2HB GLU 5 -6.272 0.607 -14.570 29 2HB GLU 5 1HB GLU 5 -6.219 2.005 -15.633 30 1HG GLU 5 2HG GLU 5 -4.854 0.847 -17.213 31 2HG GLU 5 1HG GLU 5 -4.607 -0.490 -16.097 32 H GLY 6 H GLY 6 -4.645 0.820 -12.176 33 1HA GLY 6 2HA GLY 6 -4.017 -1.130 -11.111 34 2HA GLY 6 1HA GLY 6 -3.517 -1.759 -12.674 35 H GLN 7 H GLN 7 -2.201 1.257 -11.826 36 HA GLN 7 HA GLN 7 0.294 -0.133 -11.505 37 1HB GLN 7 2HB GLN 7 1.373 2.090 -11.736 38 2HB GLN 7 1HB GLN 7 0.570 1.442 -13.148 39 1HG GLN 7 2HG GLN 7 -1.310 2.972 -12.766 40 2HG GLN 7 1HG GLN 7 -0.545 3.550 -11.286 41 1HE2 GLN 7 1HE2 GLN 7 -0.477 5.637 -12.030 42 2HE2 GLN 7 2HE2 GLN 7 0.617 6.168 -13.252 43 H VAL 8 H VAL 8 1.533 -0.014 -10.014 44 HA VAL 8 HA VAL 8 0.628 1.149 -7.467 45 HB VAL 8 HB VAL 8 2.324 -1.335 -7.925 46 1HG1 VAL 8 1HG1 VAL 8 2.072 -1.708 -5.509 47 2HG1 VAL 8 2HG1 VAL 8 1.248 -0.149 -5.380 48 3HG1 VAL 8 3HG1 VAL 8 2.934 -0.214 -5.875 49 1HG2 VAL 8 1HG2 VAL 8 0.412 -2.602 -7.053 50 2HG2 VAL 8 2HG2 VAL 8 0.005 -1.743 -8.536 51 3HG2 VAL 8 3HG2 VAL 8 -0.532 -1.114 -6.979 52 H ILE 9 H ILE 9 2.061 2.569 -6.598 53 HA ILE 9 HA ILE 9 4.436 3.048 -8.156 54 HB ILE 9 HB ILE 9 3.324 4.516 -5.768 55 1HG1 ILE 9 2HG1 ILE 9 1.851 4.701 -7.693 56 2HG1 ILE 9 1HG1 ILE 9 2.701 6.217 -7.416 57 1HG2 ILE 9 1HG2 ILE 9 5.734 4.839 -5.919 58 2HG2 ILE 9 2HG2 ILE 9 4.895 6.318 -6.392 59 3HG2 ILE 9 3HG2 ILE 9 5.581 5.262 -7.624 60 1HD1 ILE 9 1HD1 ILE 9 4.222 5.711 -9.250 61 2HD1 ILE 9 2HD1 ILE 9 2.542 5.712 -9.779 62 3HD1 ILE 9 3HD1 ILE 9 3.381 4.185 -9.536 63 H ALA 10 H ALA 10 6.162 1.896 -7.713 64 HA ALA 10 HA ALA 10 6.596 0.951 -4.989 65 1HB ALA 10 1HB ALA 10 7.902 0.096 -7.575 66 2HB ALA 10 2HB ALA 10 6.602 -0.760 -6.740 67 3HB ALA 10 3HB ALA 10 8.188 -0.613 -5.985 68 H CYS 11 H CYS 11 7.754 2.334 -3.821 69 HA CYS 11 HA CYS 11 9.658 3.989 -5.153 70 1HB CYS 11 2HB CYS 11 9.915 4.887 -2.822 71 2HB CYS 11 1HB CYS 11 8.430 5.273 -3.666 72 HG CYS 11 HG CYS 11 8.527 4.408 -0.705 73 H HIS 12 H HIS 12 11.678 3.767 -5.120 74 HA HIS 12 HA HIS 12 12.907 2.009 -3.147 75 1HB HIS 12 2HB HIS 12 13.720 2.421 -6.049 76 2HB HIS 12 1HB HIS 12 14.694 1.573 -4.854 77 HD1 HIS 12 1HD HIS 12 14.176 -0.904 -4.488 78 HD2 HIS 12 2HD HIS 12 11.251 1.032 -6.731 79 HE1 HIS 12 1HE HIS 12 12.652 -2.700 -5.296 80 HE2 HIS 12 2HE HIS 12 11.075 -1.551 -6.859 81 H THR 13 H THR 13 12.284 5.071 -3.779 82 HA THR 13 HA THR 13 14.809 5.992 -2.663 83 HB THR 13 HB THR 13 14.604 8.077 -3.996 84 HG1 THR 13 1HG THR 13 13.110 7.818 -5.923 85 1HG2 THR 13 1HG2 THR 13 14.673 5.615 -5.758 86 2HG2 THR 13 2HG2 THR 13 16.052 6.314 -4.912 87 3HG2 THR 13 3HG2 THR 13 15.263 7.213 -6.210 88 H VAL 14 H VAL 14 14.430 7.969 -1.405 89 HA VAL 14 HA VAL 14 11.896 7.902 -0.079 90 HB VAL 14 HB VAL 14 14.114 9.923 0.190 91 1HG1 VAL 14 1HG1 VAL 14 12.028 10.682 1.177 92 2HG1 VAL 14 2HG1 VAL 14 13.191 10.312 2.455 93 3HG1 VAL 14 3HG1 VAL 14 11.892 9.178 2.093 94 1HG2 VAL 14 1HG2 VAL 14 14.919 8.608 2.120 95 2HG2 VAL 14 2HG2 VAL 14 15.018 7.704 0.609 96 3HG2 VAL 14 3HG2 VAL 14 13.717 7.372 1.752 97 H GLU 15 H GLU 15 13.420 9.726 -2.582 98 HA GLU 15 HA GLU 15 11.866 12.044 -2.682 99 1HB GLU 15 2HB GLU 15 13.883 11.668 -4.038 100 2HB GLU 15 1HB GLU 15 13.050 10.431 -4.945 101 1HG GLU 15 2HG GLU 15 11.479 12.110 -5.807 102 2HG GLU 15 1HG GLU 15 12.349 13.357 -4.919 103 H THR 16 H THR 16 11.395 8.968 -4.428 104 HA THR 16 HA THR 16 8.945 9.594 -5.624 105 HB THR 16 HB THR 16 10.032 6.882 -4.799 106 HG1 THR 16 1HG THR 16 10.304 8.476 -7.126 107 1HG2 THR 16 1HG2 THR 16 8.604 5.964 -6.555 108 2HG2 THR 16 2HG2 THR 16 8.011 7.572 -6.931 109 3HG2 THR 16 3HG2 THR 16 7.615 6.832 -5.374 110 H TRP 17 H TRP 17 9.693 8.061 -2.547 111 HA TRP 17 HA TRP 17 7.090 7.427 -1.728 112 1HB TRP 17 2HB TRP 17 9.096 6.464 -0.681 113 2HB TRP 17 1HB TRP 17 9.587 8.054 -0.163 114 HD1 TRP 17 HD TRP 17 9.290 8.337 2.314 115 HE1 TRP 17 1HE TRP 17 7.608 7.587 4.089 116 HE3 TRP 17 3HE TRP 17 6.111 5.656 -0.653 117 HZ2 TRP 17 2HZ TRP 17 5.248 6.067 4.235 118 HZ3 TRP 17 3HZ TRP 17 4.152 4.593 0.400 119 HH2 TRP 17 HH TRP 17 3.738 4.797 2.791 120 H ASN 18 H ASN 18 9.089 10.266 -1.044 121 HA ASN 18 HA ASN 18 7.335 11.638 0.662 122 1HB ASN 18 2HB ASN 18 9.786 12.110 0.270 123 2HB ASN 18 1HB ASN 18 9.322 12.883 -1.240 124 1HD2 ASN 18 1HD2 ASN 18 9.366 13.079 2.141 125 2HD2 ASN 18 2HD2 ASN 18 8.875 14.720 2.325 126 H GLU 19 H GLU 19 7.828 11.812 -2.813 127 HA GLU 19 HA GLU 19 6.143 13.925 -3.464 128 1HB GLU 19 2HB GLU 19 7.769 12.956 -5.003 129 2HB GLU 19 1HB GLU 19 6.846 11.468 -5.059 130 1HG GLU 19 2HG GLU 19 4.996 12.654 -6.103 131 2HG GLU 19 1HG GLU 19 5.933 14.148 -6.055 132 H GLN 20 H GLN 20 5.422 10.410 -3.246 133 HA GLN 20 HA GLN 20 2.833 10.580 -4.130 134 1HB GLN 20 2HB GLN 20 4.417 8.690 -2.575 135 2HB GLN 20 1HB GLN 20 2.702 8.408 -2.870 136 1HG GLN 20 2HG GLN 20 4.816 8.807 -4.975 137 2HG GLN 20 1HG GLN 20 4.171 7.237 -4.489 138 1HE2 GLN 20 1HE2 GLN 20 4.079 8.564 -7.104 139 2HE2 GLN 20 2HE2 GLN 20 2.397 8.649 -7.514 140 H LEU 21 H LEU 21 4.185 10.650 -0.754 141 HA LEU 21 HA LEU 21 1.729 10.521 0.456 142 1HB LEU 21 2HB LEU 21 4.359 11.586 1.188 143 2HB LEU 21 1HB LEU 21 3.038 11.481 2.313 144 HG LEU 21 HG LEU 21 4.515 9.194 0.991 145 1HD1 LEU 21 1HD1 LEU 21 4.347 10.080 3.864 146 2HD1 LEU 21 2HD1 LEU 21 5.735 10.268 2.791 147 3HD1 LEU 21 3HD1 LEU 21 5.204 8.657 3.270 148 1HD2 LEU 21 1HD2 LEU 21 2.144 8.622 1.221 149 2HD2 LEU 21 2HD2 LEU 21 2.185 9.104 2.917 150 3HD2 LEU 21 3HD2 LEU 21 3.122 7.709 2.373 151 H GLN 22 H GLN 22 3.756 13.267 -0.412 152 HA GLN 22 HA GLN 22 2.028 15.137 0.710 153 1HB GLN 22 2HB GLN 22 4.337 15.700 0.037 154 2HB GLN 22 1HB GLN 22 3.880 15.536 -1.652 155 1HG GLN 22 2HG GLN 22 3.962 17.877 -1.020 156 2HG GLN 22 1HG GLN 22 2.313 17.403 -1.417 157 1HE2 GLN 22 1HE2 GLN 22 4.477 18.344 1.098 158 2HE2 GLN 22 2HE2 GLN 22 3.287 18.662 2.307 159 H LYS 23 H LYS 23 2.120 13.625 -2.469 160 HA LYS 23 HA LYS 23 0.113 15.220 -3.644 161 1HB LYS 23 2HB LYS 23 1.717 13.758 -4.921 162 2HB LYS 23 1HB LYS 23 0.825 12.367 -4.342 163 1HG LYS 23 2HG LYS 23 0.176 12.906 -6.612 164 2HG LYS 23 1HG LYS 23 -1.179 13.169 -5.513 165 1HD LYS 23 2HD LYS 23 -0.739 15.566 -5.501 166 2HD LYS 23 1HD LYS 23 0.673 15.334 -6.533 167 1HE LYS 23 2HE LYS 23 -1.207 16.126 -7.824 168 2HE LYS 23 1HE LYS 23 -0.796 14.486 -8.308 169 1HZ LYS 23 1HZ LYS 23 -2.648 13.672 -6.972 170 2HZ LYS 23 2HZ LYS 23 -3.181 14.797 -8.098 171 3HZ LYS 23 3HZ LYS 23 -3.034 15.245 -6.490 172 H ALA 24 H ALA 24 -0.003 12.137 -1.797 173 HA ALA 24 HA ALA 24 -2.764 11.723 -2.244 174 1HB ALA 24 1HB ALA 24 -2.575 10.052 -0.462 175 2HB ALA 24 2HB ALA 24 -0.983 10.681 -0.036 176 3HB ALA 24 3HB ALA 24 -1.237 9.914 -1.601 177 H ASN 25 H ASN 25 -0.922 13.542 0.008 178 HA ASN 25 HA ASN 25 -2.945 13.998 1.999 179 1HB ASN 25 2HB ASN 25 -0.448 14.216 2.285 180 2HB ASN 25 1HB ASN 25 -0.538 15.629 1.301 181 1HD2 ASN 25 1HD2 ASN 25 0.213 16.979 2.891 182 2HD2 ASN 25 2HD2 ASN 25 -0.757 17.474 4.226 183 H GLU 26 H GLU 26 -1.432 15.912 -0.440 184 HA GLU 26 HA GLU 26 -2.916 18.287 -0.148 185 1HB GLU 26 2HB GLU 26 -0.716 18.077 -1.263 186 2HB GLU 26 1HB GLU 26 -1.503 17.279 -2.610 187 1HG GLU 26 2HG GLU 26 -1.053 19.567 -3.144 188 2HG GLU 26 1HG GLU 26 -2.793 19.301 -3.035 189 H SER 27 H SER 27 -3.369 15.585 -2.467 190 HA SER 27 HA SER 27 -5.720 16.891 -3.504 191 1HB SER 27 2HB SER 27 -4.400 14.290 -4.211 192 2HB SER 27 1HB SER 27 -5.696 15.071 -5.123 193 HG SER 27 HG SER 27 -4.062 16.940 -5.019 194 H LYS 28 H LYS 28 -5.039 15.030 -0.883 195 HA LYS 28 HA LYS 28 -6.070 13.604 0.440 196 1HB LYS 28 2HB LYS 28 -8.378 15.162 -0.522 197 2HB LYS 28 1HB LYS 28 -8.529 14.031 0.824 198 1HG LYS 28 2HG LYS 28 -6.724 15.349 1.975 199 2HG LYS 28 1HG LYS 28 -6.842 16.529 0.671 200 1HD LYS 28 2HD LYS 28 -9.199 16.895 1.224 201 2HD LYS 28 1HD LYS 28 -9.060 15.679 2.497 202 1HE LYS 28 2HE LYS 28 -7.408 17.037 3.649 203 2HE LYS 28 1HE LYS 28 -7.509 18.257 2.384 204 1HZ LYS 28 1HZ LYS 28 -8.841 18.833 4.331 205 2HZ LYS 28 2HZ LYS 28 -9.751 17.438 4.157 206 3HZ LYS 28 3HZ LYS 28 -9.812 18.641 2.975 207 H THR 29 H THR 29 -5.375 12.249 -1.500 208 HA THR 29 HA THR 29 -7.605 10.729 -2.576 209 HB THR 29 HB THR 29 -4.694 10.284 -3.007 210 HG1 THR 29 1HG THR 29 -6.563 11.979 -4.394 211 1HG2 THR 29 1HG2 THR 29 -6.116 8.483 -3.775 212 2HG2 THR 29 2HG2 THR 29 -5.466 9.335 -5.183 213 3HG2 THR 29 3HG2 THR 29 -7.122 9.617 -4.671 214 H LEU 30 H LEU 30 -7.800 8.610 -2.115 215 HA LEU 30 HA LEU 30 -6.884 7.829 0.476 216 1HB LEU 30 2HB LEU 30 -9.216 7.382 -0.371 217 2HB LEU 30 1HB LEU 30 -8.564 6.270 -1.538 218 HG LEU 30 HG LEU 30 -8.563 5.845 1.478 219 1HD1 LEU 30 1HD1 LEU 30 -10.277 4.625 -0.665 220 2HD1 LEU 30 2HD1 LEU 30 -10.784 5.833 0.507 221 3HD1 LEU 30 3HD1 LEU 30 -10.308 4.220 1.054 222 1HD2 LEU 30 1HD2 LEU 30 -6.727 4.627 0.313 223 2HD2 LEU 30 2HD2 LEU 30 -7.943 3.879 -0.734 224 3HD2 LEU 30 3HD2 LEU 30 -7.945 3.551 0.995 225 H VAL 31 H VAL 31 -5.051 6.378 0.763 226 HA VAL 31 HA VAL 31 -4.071 5.076 -1.621 227 HB VAL 31 HB VAL 31 -2.742 7.080 -1.289 228 1HG1 VAL 31 1HG1 VAL 31 -2.136 6.057 1.448 229 2HG1 VAL 31 2HG1 VAL 31 -3.082 7.485 1.030 230 3HG1 VAL 31 3HG1 VAL 31 -1.351 7.437 0.680 231 1HG2 VAL 31 1HG2 VAL 31 -0.494 6.117 -1.120 232 2HG2 VAL 31 2HG2 VAL 31 -1.559 5.137 -2.137 233 3HG2 VAL 31 3HG2 VAL 31 -1.192 4.625 -0.492 234 H VAL 32 H VAL 32 -3.232 3.086 -1.354 235 HA VAL 32 HA VAL 32 -3.219 1.951 1.358 236 HB VAL 32 HB VAL 32 -3.658 0.531 -1.241 237 1HG1 VAL 32 1HG1 VAL 32 -3.843 -0.491 1.601 238 2HG1 VAL 32 2HG1 VAL 32 -2.569 -0.869 0.446 239 3HG1 VAL 32 3HG1 VAL 32 -4.219 -1.442 0.159 240 1HG2 VAL 32 1HG2 VAL 32 -5.610 1.866 -0.717 241 2HG2 VAL 32 2HG2 VAL 32 -5.666 1.196 0.912 242 3HG2 VAL 32 3HG2 VAL 32 -5.989 0.161 -0.480 243 H VAL 33 H VAL 33 -1.253 1.323 2.024 244 HA VAL 33 HA VAL 33 0.822 1.173 -0.058 245 HB VAL 33 HB VAL 33 1.238 2.037 2.808 246 1HG1 VAL 33 1HG1 VAL 33 3.435 2.775 2.020 247 2HG1 VAL 33 2HG1 VAL 33 3.071 2.125 0.424 248 3HG1 VAL 33 3HG1 VAL 33 3.207 1.040 1.805 249 1HG2 VAL 33 1HG2 VAL 33 -0.103 3.702 1.640 250 2HG2 VAL 33 2HG2 VAL 33 1.063 3.748 0.319 251 3HG2 VAL 33 3HG2 VAL 33 1.525 4.317 1.921 252 H ASP 34 H ASP 34 1.951 -0.600 -0.226 253 HA ASP 34 HA ASP 34 1.816 -2.723 1.792 254 1HB ASP 34 2HB ASP 34 1.155 -3.514 -0.351 255 2HB ASP 34 1HB ASP 34 2.448 -2.643 -1.158 256 H PHE 35 H PHE 35 3.520 -2.671 3.218 257 HA PHE 35 HA PHE 35 6.101 -1.716 2.232 258 1HB PHE 35 2HB PHE 35 5.096 -2.325 5.013 259 2HB PHE 35 1HB PHE 35 6.671 -1.702 4.596 260 HD1 PHE 35 1HD PHE 35 6.963 0.646 4.071 261 HD2 PHE 35 2HD PHE 35 3.104 -0.924 4.938 262 HE1 PHE 35 1HE PHE 35 6.109 2.933 4.392 263 HE2 PHE 35 2HE PHE 35 2.240 1.356 5.254 264 HZ PHE 35 HZ PHE 35 3.746 3.288 4.982 265 H THR 36 H THR 36 7.303 -3.424 1.451 266 HA THR 36 HA THR 36 7.966 -5.503 3.262 267 HB THR 36 HB THR 36 5.928 -6.404 2.243 268 HG1 THR 36 1HG THR 36 6.866 -8.331 2.285 269 1HG2 THR 36 1HG2 THR 36 7.506 -6.267 -0.319 270 2HG2 THR 36 2HG2 THR 36 6.020 -5.383 0.064 271 3HG2 THR 36 3HG2 THR 36 5.986 -7.136 -0.128 272 H ALA 37 H ALA 37 9.605 -7.017 2.152 273 HA ALA 37 HA ALA 37 11.331 -5.397 0.427 274 1HB ALA 37 1HB ALA 37 11.953 -7.871 2.046 275 2HB ALA 37 2HB ALA 37 12.381 -6.213 2.478 276 3HB ALA 37 3HB ALA 37 13.110 -6.976 1.063 277 H SER 38 H SER 38 12.003 -6.182 -1.528 278 HA SER 38 HA SER 38 10.219 -7.734 -2.997 279 1HB SER 38 2HB SER 38 11.739 -6.026 -3.949 280 2HB SER 38 1HB SER 38 13.105 -7.093 -3.664 281 HG SER 38 HG SER 38 11.457 -6.984 -5.718 282 H TRP 39 H TRP 39 12.791 -8.842 -0.987 283 HA TRP 39 HA TRP 39 12.965 -11.394 -2.335 284 1HB TRP 39 2HB TRP 39 14.704 -11.946 -0.587 285 2HB TRP 39 1HB TRP 39 15.078 -10.569 -1.596 286 HD1 TRP 39 HD TRP 39 15.533 -8.382 -0.437 287 HE1 TRP 39 1HE TRP 39 15.693 -7.596 2.029 288 HE3 TRP 39 3HE TRP 39 13.514 -12.476 1.819 289 HZ2 TRP 39 2HZ TRP 39 15.027 -8.612 4.574 290 HZ3 TRP 39 3HZ TRP 39 13.309 -12.501 4.265 291 HH2 TRP 39 HH TRP 39 14.048 -10.605 5.611 292 H CYS 40 H CYS 40 10.626 -10.311 -0.520 293 HA CYS 40 HA CYS 40 10.456 -12.526 1.352 294 1HB CYS 40 2HB CYS 40 9.774 -10.374 2.188 295 2HB CYS 40 1HB CYS 40 8.637 -10.155 0.866 296 H GLY 41 H GLY 41 9.429 -14.349 0.971 297 1HA GLY 41 2HA GLY 41 8.393 -15.019 -1.566 298 2HA GLY 41 1HA GLY 41 8.332 -16.016 -0.127 299 HA PRO 42 HA PRO 42 3.945 -15.467 0.432 300 1HB PRO 42 2HB PRO 42 4.339 -13.835 2.901 301 2HB PRO 42 1HB PRO 42 3.372 -15.297 2.670 302 1HG PRO 42 2HG PRO 42 5.676 -15.445 3.957 303 2HG PRO 42 1HG PRO 42 5.229 -16.702 2.787 304 1HD PRO 42 2HD PRO 42 7.136 -14.414 2.469 305 2HD PRO 42 1HD PRO 42 7.301 -16.096 1.923 306 H CYS 43 H CYS 43 5.837 -12.610 1.006 307 HA CYS 43 HA CYS 43 3.841 -10.659 0.591 308 1HB CYS 43 2HB CYS 43 6.799 -10.481 0.084 309 2HB CYS 43 1HB CYS 43 5.707 -9.138 0.408 310 H ARG 44 H ARG 44 6.153 -12.291 -1.537 311 HA ARG 44 HA ARG 44 5.472 -10.855 -3.883 312 1HB ARG 44 2HB ARG 44 7.618 -11.954 -3.659 313 2HB ARG 44 1HB ARG 44 6.842 -13.506 -3.428 314 1HG ARG 44 2HG ARG 44 6.101 -13.528 -5.718 315 2HG ARG 44 1HG ARG 44 6.715 -11.891 -5.960 316 1HD ARG 44 2HD ARG 44 8.244 -13.608 -6.847 317 2HD ARG 44 1HD ARG 44 8.971 -12.625 -5.581 318 HE ARG 44 HE ARG 44 7.799 -15.119 -4.719 319 1HH1 ARG 44 1HH1 ARG 44 10.733 -13.422 -5.761 320 2HH1 ARG 44 2HH1 ARG 44 11.804 -14.572 -5.109 321 1HH2 ARG 44 1HH2 ARG 44 9.302 -16.692 -3.782 322 2HH2 ARG 44 2HH2 ARG 44 10.975 -16.438 -3.934 323 H PHE 45 H PHE 45 4.268 -13.670 -2.284 324 HA PHE 45 HA PHE 45 2.653 -14.683 -4.387 325 1HB PHE 45 2HB PHE 45 3.352 -16.092 -2.515 326 2HB PHE 45 1HB PHE 45 2.474 -15.072 -1.391 327 HD1 PHE 45 1HD PHE 45 2.083 -17.442 -4.194 328 HD2 PHE 45 2HD PHE 45 0.164 -15.443 -0.955 329 HE1 PHE 45 1HE PHE 45 0.114 -18.894 -4.462 330 HE2 PHE 45 2HE PHE 45 -1.803 -16.884 -1.224 331 HZ PHE 45 HZ PHE 45 -1.832 -18.614 -2.978 332 H ILE 46 H ILE 46 2.101 -12.330 -1.830 333 HA ILE 46 HA ILE 46 -0.749 -12.215 -2.389 334 HB ILE 46 HB ILE 46 0.208 -12.027 -0.054 335 1HG1 ILE 46 2HG1 ILE 46 -1.219 -10.074 0.664 336 2HG1 ILE 46 1HG1 ILE 46 -1.532 -9.783 -1.048 337 1HG2 ILE 46 1HG2 ILE 46 1.124 -9.921 0.720 338 2HG2 ILE 46 2HG2 ILE 46 1.079 -9.305 -0.935 339 3HG2 ILE 46 3HG2 ILE 46 2.127 -10.664 -0.531 340 1HD1 ILE 46 1HD1 ILE 46 -3.327 -11.047 -0.050 341 2HD1 ILE 46 2HD1 ILE 46 -2.166 -12.239 0.516 342 3HD1 ILE 46 3HD1 ILE 46 -2.464 -12.061 -1.222 343 H ALA 47 H ALA 47 2.089 -10.711 -3.444 344 HA ALA 47 HA ALA 47 1.362 -8.101 -3.971 345 1HB ALA 47 1HB ALA 47 3.315 -9.712 -5.605 346 2HB ALA 47 2HB ALA 47 3.663 -8.967 -4.049 347 3HB ALA 47 3HB ALA 47 3.248 -7.958 -5.435 348 HA PRO 48 HA PRO 48 -0.002 -9.330 -8.539 349 1HB PRO 48 2HB PRO 48 -1.200 -11.997 -7.973 350 2HB PRO 48 1HB PRO 48 -0.303 -11.447 -9.396 351 1HG PRO 48 2HG PRO 48 0.848 -13.076 -7.671 352 2HG PRO 48 1HG PRO 48 1.757 -11.720 -8.363 353 1HD PRO 48 2HD PRO 48 0.467 -11.946 -5.668 354 2HD PRO 48 1HD PRO 48 2.071 -11.320 -6.090 355 H PHE 49 H PHE 49 -1.668 -10.391 -5.662 356 HA PHE 49 HA PHE 49 -4.293 -9.793 -6.637 357 1HB PHE 49 2HB PHE 49 -3.983 -11.453 -4.844 358 2HB PHE 49 1HB PHE 49 -3.315 -10.208 -3.798 359 HD1 PHE 49 1HD PHE 49 -6.376 -11.108 -5.694 360 HD2 PHE 49 2HD PHE 49 -4.709 -9.054 -2.365 361 HE1 PHE 49 1HE PHE 49 -8.636 -10.631 -4.863 362 HE2 PHE 49 2HE PHE 49 -6.964 -8.573 -1.530 363 HZ PHE 49 HZ PHE 49 -8.934 -9.358 -2.780 364 H PHE 50 H PHE 50 -1.848 -8.109 -4.814 365 HA PHE 50 HA PHE 50 -3.410 -5.796 -4.158 366 1HB PHE 50 2HB PHE 50 -1.258 -6.511 -3.028 367 2HB PHE 50 1HB PHE 50 -0.403 -6.049 -4.487 368 HD1 PHE 50 1HD PHE 50 -2.308 -4.835 -1.601 369 HD2 PHE 50 2HD PHE 50 0.085 -3.741 -4.941 370 HE1 PHE 50 1HE PHE 50 -2.068 -2.577 -0.678 371 HE2 PHE 50 2HE PHE 50 0.328 -1.474 -4.023 372 HZ PHE 50 HZ PHE 50 -0.746 -0.888 -1.888 373 H ALA 51 H ALA 51 -1.462 -6.787 -6.862 374 HA ALA 51 HA ALA 51 -1.546 -4.333 -8.298 375 1HB ALA 51 1HB ALA 51 -0.842 -5.669 -10.226 376 2HB ALA 51 2HB ALA 51 -1.190 -7.151 -9.332 377 3HB ALA 51 3HB ALA 51 0.102 -6.075 -8.795 378 H ASP 52 H ASP 52 -3.714 -6.988 -7.922 379 HA ASP 52 HA ASP 52 -5.500 -6.382 -10.107 380 1HB ASP 52 2HB ASP 52 -5.303 -8.625 -8.922 381 2HB ASP 52 1HB ASP 52 -6.037 -7.869 -7.550 382 H LEU 53 H LEU 53 -5.481 -5.885 -6.639 383 HA LEU 53 HA LEU 53 -7.743 -4.380 -6.271 384 1HB LEU 53 2HB LEU 53 -5.050 -4.420 -5.004 385 2HB LEU 53 1HB LEU 53 -6.236 -3.321 -4.413 386 HG LEU 53 HG LEU 53 -6.473 -6.315 -4.443 387 1HD1 LEU 53 1HD1 LEU 53 -6.010 -4.366 -2.172 388 2HD1 LEU 53 2HD1 LEU 53 -4.808 -5.484 -2.814 389 3HD1 LEU 53 3HD1 LEU 53 -6.237 -6.100 -1.995 390 1HD2 LEU 53 1HD2 LEU 53 -8.452 -5.970 -3.047 391 2HD2 LEU 53 2HD2 LEU 53 -8.666 -5.202 -4.621 392 3HD2 LEU 53 3HD2 LEU 53 -8.268 -4.229 -3.207 393 H ALA 54 H ALA 54 -4.544 -3.369 -7.303 394 HA ALA 54 HA ALA 54 -4.969 -0.617 -7.320 395 1HB ALA 54 1HB ALA 54 -2.759 -1.654 -7.462 396 2HB ALA 54 2HB ALA 54 -3.018 -0.474 -8.747 397 3HB ALA 54 3HB ALA 54 -3.127 -2.199 -9.096 398 H LYS 55 H LYS 55 -5.699 -3.033 -9.807 399 HA LYS 55 HA LYS 55 -6.476 -0.972 -11.676 400 1HB LYS 55 2HB LYS 55 -5.535 -3.159 -12.438 401 2HB LYS 55 1HB LYS 55 -6.951 -3.961 -11.799 402 1HG LYS 55 2HG LYS 55 -7.070 -1.898 -14.007 403 2HG LYS 55 1HG LYS 55 -6.872 -3.613 -14.311 404 1HD LYS 55 2HD LYS 55 -9.052 -4.031 -13.211 405 2HD LYS 55 1HD LYS 55 -9.214 -2.307 -12.902 406 1HE LYS 55 2HE LYS 55 -9.076 -3.615 -15.621 407 2HE LYS 55 1HE LYS 55 -10.535 -3.008 -14.850 408 1HZ LYS 55 1HZ LYS 55 -9.778 -1.403 -16.402 409 2HZ LYS 55 2HZ LYS 55 -8.216 -1.462 -15.861 410 3HZ LYS 55 3HZ LYS 55 -9.412 -0.744 -14.888 411 H LYS 56 H LYS 56 -7.957 -3.002 -9.301 412 HA LYS 56 HA LYS 56 -10.616 -2.693 -10.139 413 1HB LYS 56 2HB LYS 56 -9.851 -4.486 -8.679 414 2HB LYS 56 1HB LYS 56 -9.498 -3.322 -7.412 415 1HG LYS 56 2HG LYS 56 -11.881 -2.770 -7.262 416 2HG LYS 56 1HG LYS 56 -12.223 -3.955 -8.525 417 1HD LYS 56 2HD LYS 56 -10.952 -4.575 -5.860 418 2HD LYS 56 1HD LYS 56 -12.652 -4.821 -6.260 419 1HE LYS 56 2HE LYS 56 -12.034 -6.427 -7.987 420 2HE LYS 56 1HE LYS 56 -10.326 -6.155 -7.667 421 1HZ LYS 56 1HZ LYS 56 -10.590 -7.030 -5.477 422 2HZ LYS 56 2HZ LYS 56 -11.177 -8.175 -6.557 423 3HZ LYS 56 3HZ LYS 56 -12.244 -7.207 -5.665 424 H LEU 57 H LEU 57 -8.601 -0.800 -7.878 425 HA LEU 57 HA LEU 57 -10.790 1.087 -7.741 426 1HB LEU 57 2HB LEU 57 -8.529 0.533 -5.867 427 2HB LEU 57 1HB LEU 57 -9.563 1.938 -5.736 428 HG LEU 57 HG LEU 57 -10.592 -0.868 -5.714 429 1HD1 LEU 57 1HD1 LEU 57 -10.006 0.974 -3.358 430 2HD1 LEU 57 2HD1 LEU 57 -9.128 -0.507 -3.745 431 3HD1 LEU 57 3HD1 LEU 57 -10.813 -0.587 -3.245 432 1HD2 LEU 57 1HD2 LEU 57 -12.596 0.162 -4.721 433 2HD2 LEU 57 2HD2 LEU 57 -12.251 0.772 -6.334 434 3HD2 LEU 57 3HD2 LEU 57 -11.856 1.751 -4.919 435 HA PRO 58 HA PRO 58 -7.929 3.265 -10.509 436 1HB PRO 58 2HB PRO 58 -9.784 4.992 -11.467 437 2HB PRO 58 1HB PRO 58 -9.621 3.332 -12.051 438 1HG PRO 58 2HG PRO 58 -11.546 4.443 -10.040 439 2HG PRO 58 1HG PRO 58 -11.849 3.326 -11.385 440 1HD PRO 58 2HD PRO 58 -11.579 2.412 -8.843 441 2HD PRO 58 1HD PRO 58 -10.988 1.513 -10.247 442 H ASN 59 H ASN 59 -10.114 4.828 -8.173 443 HA ASN 59 HA ASN 59 -8.494 7.266 -8.335 444 1HB ASN 59 2HB ASN 59 -11.000 7.437 -8.394 445 2HB ASN 59 1HB ASN 59 -11.019 6.782 -6.761 446 1HD2 ASN 59 1HD2 ASN 59 -12.013 8.611 -5.904 447 2HD2 ASN 59 2HD2 ASN 59 -11.196 10.120 -5.716 448 H VAL 60 H VAL 60 -8.024 4.546 -6.901 449 HA VAL 60 HA VAL 60 -7.182 5.719 -4.358 450 HB VAL 60 HB VAL 60 -7.703 2.797 -5.028 451 1HG1 VAL 60 1HG1 VAL 60 -6.847 4.063 -2.429 452 2HG1 VAL 60 2HG1 VAL 60 -5.875 2.986 -3.432 453 3HG1 VAL 60 3HG1 VAL 60 -7.322 2.377 -2.628 454 1HG2 VAL 60 1HG2 VAL 60 -9.760 4.085 -4.785 455 2HG2 VAL 60 2HG2 VAL 60 -9.197 4.720 -3.242 456 3HG2 VAL 60 3HG2 VAL 60 -9.554 3.002 -3.405 457 H LEU 61 H LEU 61 -5.041 5.731 -3.866 458 HA LEU 61 HA LEU 61 -3.224 5.024 -5.984 459 1HB LEU 61 2HB LEU 61 -2.867 6.399 -3.340 460 2HB LEU 61 1HB LEU 61 -1.624 6.182 -4.542 461 HG LEU 61 HG LEU 61 -4.111 7.852 -4.844 462 1HD1 LEU 61 1HD1 LEU 61 -2.560 9.755 -4.795 463 2HD1 LEU 61 2HD1 LEU 61 -1.225 8.645 -4.476 464 3HD1 LEU 61 3HD1 LEU 61 -2.515 8.828 -3.295 465 1HD2 LEU 61 1HD2 LEU 61 -3.416 6.928 -6.988 466 2HD2 LEU 61 2HD2 LEU 61 -1.765 7.489 -6.709 467 3HD2 LEU 61 3HD2 LEU 61 -3.068 8.658 -6.924 468 H PHE 62 H PHE 62 -1.803 3.368 -5.823 469 HA PHE 62 HA PHE 62 -1.683 1.982 -3.258 470 1HB PHE 62 2HB PHE 62 -1.579 0.726 -5.972 471 2HB PHE 62 1HB PHE 62 -1.317 -0.112 -4.474 472 HD1 PHE 62 1HD PHE 62 -3.077 -0.884 -3.109 473 HD2 PHE 62 2HD PHE 62 -3.934 1.628 -6.423 474 HE1 PHE 62 1HE PHE 62 -5.471 -1.353 -2.833 475 HE2 PHE 62 2HE PHE 62 -6.336 1.163 -6.159 476 HZ PHE 62 HZ PHE 62 -7.104 -0.333 -4.357 477 H LEU 63 H LEU 63 0.173 1.549 -2.572 478 HA LEU 63 HA LEU 63 2.522 2.146 -4.227 479 1HB LEU 63 2HB LEU 63 1.912 3.227 -1.520 480 2HB LEU 63 1HB LEU 63 3.569 2.970 -1.995 481 HG LEU 63 HG LEU 63 3.248 4.559 -3.866 482 1HD1 LEU 63 1HD1 LEU 63 0.557 5.082 -2.633 483 2HD1 LEU 63 2HD1 LEU 63 0.856 4.371 -4.219 484 3HD1 LEU 63 3HD1 LEU 63 1.314 6.046 -3.902 485 1HD2 LEU 63 1HD2 LEU 63 2.582 5.627 -1.145 486 2HD2 LEU 63 2HD2 LEU 63 3.227 6.557 -2.502 487 3HD2 LEU 63 3HD2 LEU 63 4.189 5.275 -1.780 488 H LYS 64 H LYS 64 4.406 1.177 -3.699 489 HA LYS 64 HA LYS 64 4.300 -1.077 -1.808 490 1HB LYS 64 2HB LYS 64 3.990 -1.743 -4.269 491 2HB LYS 64 1HB LYS 64 5.601 -1.121 -4.554 492 1HG LYS 64 2HG LYS 64 4.929 -3.376 -2.661 493 2HG LYS 64 1HG LYS 64 5.484 -3.590 -4.314 494 1HD LYS 64 2HD LYS 64 7.608 -2.548 -3.747 495 2HD LYS 64 1HD LYS 64 7.025 -2.211 -2.114 496 1HE LYS 64 2HE LYS 64 6.772 -4.541 -1.697 497 2HE LYS 64 1HE LYS 64 7.321 -4.951 -3.324 498 1HZ LYS 64 1HZ LYS 64 9.477 -3.876 -2.751 499 2HZ LYS 64 2HZ LYS 64 9.133 -5.214 -1.798 500 3HZ LYS 64 3HZ LYS 64 8.930 -3.681 -1.152 501 H VAL 65 H VAL 65 5.724 -0.621 -0.347 502 HA VAL 65 HA VAL 65 8.064 1.017 -1.046 503 HB VAL 65 HB VAL 65 6.972 0.299 1.692 504 1HG1 VAL 65 1HG1 VAL 65 9.370 0.730 1.726 505 2HG1 VAL 65 2HG1 VAL 65 8.492 2.029 2.532 506 3HG1 VAL 65 3HG1 VAL 65 9.117 2.269 0.899 507 1HG2 VAL 65 1HG2 VAL 65 6.757 2.871 0.150 508 2HG2 VAL 65 2HG2 VAL 65 6.222 2.615 1.813 509 3HG2 VAL 65 3HG2 VAL 65 5.445 1.744 0.489 510 H ASP 66 H ASP 66 9.983 0.035 -1.109 511 HA ASP 66 HA ASP 66 10.082 -2.736 -0.258 512 1HB ASP 66 2HB ASP 66 11.062 -2.071 -2.472 513 2HB ASP 66 1HB ASP 66 12.230 -1.123 -1.544 514 H THR 67 H THR 67 10.394 -3.053 1.792 515 HA THR 67 HA THR 67 11.507 -1.067 3.465 516 HB THR 67 HB THR 67 11.182 -2.806 5.260 517 HG1 THR 67 1HG THR 67 11.112 -4.769 4.448 518 1HG2 THR 67 1HG2 THR 67 8.733 -2.719 5.133 519 2HG2 THR 67 2HG2 THR 67 8.836 -2.233 3.440 520 3HG2 THR 67 3HG2 THR 67 9.440 -1.162 4.703 521 H ASP 68 H ASP 68 12.981 -3.494 1.661 522 HA ASP 68 HA ASP 68 15.215 -3.836 3.464 523 1HB ASP 68 2HB ASP 68 14.565 -5.566 1.739 524 2HB ASP 68 1HB ASP 68 15.087 -4.434 0.497 525 H GLU 69 H GLU 69 14.342 -2.085 0.633 526 HA GLU 69 HA GLU 69 16.730 -0.618 0.204 527 1HB GLU 69 2HB GLU 69 14.679 -1.054 -1.306 528 2HB GLU 69 1HB GLU 69 13.935 0.207 -0.420 529 1HG GLU 69 2HG GLU 69 14.837 1.123 -2.458 530 2HG GLU 69 1HG GLU 69 15.658 1.801 -1.050 531 H LEU 70 H LEU 70 13.519 0.428 1.300 532 HA LEU 70 HA LEU 70 14.517 2.824 2.495 533 1HB LEU 70 2HB LEU 70 11.824 1.601 2.064 534 2HB LEU 70 1HB LEU 70 12.033 3.035 3.012 535 HG LEU 70 HG LEU 70 11.266 3.719 0.891 536 1HD1 LEU 70 1HD1 LEU 70 14.218 4.219 0.936 537 2HD1 LEU 70 2HD1 LEU 70 12.963 5.155 1.742 538 3HD1 LEU 70 3HD1 LEU 70 13.031 5.109 -0.018 539 1HD2 LEU 70 1HD2 LEU 70 13.462 2.113 -0.379 540 2HD2 LEU 70 2HD2 LEU 70 12.294 3.123 -1.231 541 3HD2 LEU 70 3HD2 LEU 70 11.755 1.680 -0.366 542 H LYS 71 H LYS 71 15.598 0.765 3.831 543 HA LYS 71 HA LYS 71 14.143 -0.410 5.898 544 1HB LYS 71 2HB LYS 71 16.356 -0.902 6.933 545 2HB LYS 71 1HB LYS 71 16.221 -1.364 5.245 546 1HG LYS 71 2HG LYS 71 17.446 0.687 4.622 547 2HG LYS 71 1HG LYS 71 17.636 1.057 6.337 548 1HD LYS 71 2HD LYS 71 18.859 -1.022 6.663 549 2HD LYS 71 1HD LYS 71 18.642 -1.433 4.963 550 1HE LYS 71 2HE LYS 71 20.862 -0.536 5.317 551 2HE LYS 71 1HE LYS 71 19.916 0.576 4.332 552 1HZ LYS 71 1HZ LYS 71 19.537 1.929 6.289 553 2HZ LYS 71 2HZ LYS 71 21.193 1.730 6.039 554 3HZ LYS 71 3HZ LYS 71 20.407 0.850 7.244 555 H SER 72 H SER 72 15.809 2.736 5.914 556 HA SER 72 HA SER 72 15.400 3.028 8.732 557 1HB SER 72 2HB SER 72 16.212 5.028 6.654 558 2HB SER 72 1HB SER 72 16.254 5.331 8.393 559 HG SER 72 HG SER 72 17.663 3.519 8.551 560 H VAL 73 H VAL 73 13.641 3.796 5.872 561 HA VAL 73 HA VAL 73 11.750 5.528 7.155 562 HB VAL 73 HB VAL 73 11.449 3.945 4.584 563 1HG1 VAL 73 1HG1 VAL 73 9.714 5.577 3.994 564 2HG1 VAL 73 2HG1 VAL 73 9.898 6.332 5.577 565 3HG1 VAL 73 3HG1 VAL 73 9.298 4.678 5.456 566 1HG2 VAL 73 1HG2 VAL 73 12.047 6.041 3.433 567 2HG2 VAL 73 2HG2 VAL 73 13.359 5.431 4.440 568 3HG2 VAL 73 3HG2 VAL 73 12.377 6.786 4.997 569 H ALA 74 H ALA 74 11.978 2.119 6.351 570 HA ALA 74 HA ALA 74 9.445 1.240 7.099 571 1HB ALA 74 1HB ALA 74 11.075 -0.135 5.882 572 2HB ALA 74 2HB ALA 74 10.453 -0.967 7.306 573 3HB ALA 74 3HB ALA 74 12.061 -0.245 7.340 574 H SER 75 H SER 75 12.415 1.510 9.063 575 HA SER 75 HA SER 75 11.261 0.550 11.413 576 1HB SER 75 2HB SER 75 13.233 1.630 12.520 577 2HB SER 75 1HB SER 75 13.658 0.585 11.163 578 HG SER 75 HG SER 75 13.463 3.424 11.134 579 H ASP 76 H ASP 76 11.241 3.708 9.944 580 HA ASP 76 HA ASP 76 10.435 5.157 12.274 581 1HB ASP 76 2HB ASP 76 11.534 6.242 10.380 582 2HB ASP 76 1HB ASP 76 10.166 5.853 9.347 583 H TRP 77 H TRP 77 8.775 3.620 9.600 584 HA TRP 77 HA TRP 77 6.208 4.446 10.527 585 1HB TRP 77 2HB TRP 77 7.122 2.772 8.244 586 2HB TRP 77 1HB TRP 77 5.406 2.883 8.635 587 HD1 TRP 77 HD TRP 77 8.353 5.176 7.578 588 HE1 TRP 77 1HE TRP 77 7.370 7.211 6.339 589 HE3 TRP 77 3HE TRP 77 3.388 4.181 8.173 590 HZ2 TRP 77 2HZ TRP 77 4.835 8.238 5.681 591 HZ3 TRP 77 3HZ TRP 77 1.744 5.735 7.204 592 HH2 TRP 77 HH TRP 77 2.459 7.726 5.985 593 H ALA 78 H ALA 78 8.223 2.376 11.782 594 HA ALA 78 HA ALA 78 8.120 0.668 13.260 595 1HB ALA 78 1HB ALA 78 5.140 1.182 13.231 596 2HB ALA 78 2HB ALA 78 6.308 1.993 14.276 597 3HB ALA 78 3HB ALA 78 6.018 0.264 14.453 598 H ILE 79 H ILE 79 7.960 0.145 10.411 599 HA ILE 79 HA ILE 79 6.266 -2.188 10.196 600 HB ILE 79 HB ILE 79 8.283 -1.110 8.200 601 1HG1 ILE 79 2HG1 ILE 79 6.554 0.568 8.608 602 2HG1 ILE 79 1HG1 ILE 79 6.344 -0.132 7.009 603 1HG2 ILE 79 1HG2 ILE 79 7.042 -2.463 6.554 604 2HG2 ILE 79 2HG2 ILE 79 6.026 -3.085 7.853 605 3HG2 ILE 79 3HG2 ILE 79 7.748 -3.456 7.830 606 1HD1 ILE 79 1HD1 ILE 79 4.528 -1.528 7.886 607 2HD1 ILE 79 2HD1 ILE 79 4.212 0.192 8.103 608 3HD1 ILE 79 3HD1 ILE 79 4.735 -0.787 9.473 609 H GLN 80 H GLN 80 7.041 -3.778 11.429 610 HA GLN 80 HA GLN 80 9.897 -4.404 11.299 611 1HB GLN 80 2HB GLN 80 7.794 -5.185 13.294 612 2HB GLN 80 1HB GLN 80 9.462 -5.728 13.329 613 1HG GLN 80 2HG GLN 80 10.207 -3.425 13.604 614 2HG GLN 80 1HG GLN 80 8.529 -2.880 13.561 615 1HE2 GLN 80 1HE2 GLN 80 10.951 -4.511 15.395 616 2HE2 GLN 80 2HE2 GLN 80 10.110 -4.514 16.894 617 H ALA 81 H ALA 81 6.726 -5.587 10.579 618 HA ALA 81 HA ALA 81 7.881 -8.178 9.868 619 1HB ALA 81 1HB ALA 81 6.186 -8.333 11.632 620 2HB ALA 81 2HB ALA 81 5.642 -9.116 10.148 621 3HB ALA 81 3HB ALA 81 5.027 -7.522 10.579 622 H MET 82 H MET 82 7.526 -8.966 7.822 623 HA MET 82 HA MET 82 6.262 -7.074 6.016 624 1HB MET 82 2HB MET 82 8.309 -9.194 5.435 625 2HB MET 82 1HB MET 82 7.617 -8.108 4.255 626 1HG MET 82 2HG MET 82 8.623 -6.192 5.390 627 2HG MET 82 1HG MET 82 9.293 -7.276 6.607 628 1HE MET 82 1HE MET 82 11.860 -9.364 4.520 629 2HE MET 82 2HE MET 82 10.178 -9.787 4.802 630 3HE MET 82 3HE MET 82 11.146 -9.107 6.112 631 HA PRO 83 HA PRO 83 5.311 -6.889 4.417 632 1HB PRO 83 2HB PRO 83 3.111 -6.877 2.923 633 2HB PRO 83 1HB PRO 83 4.526 -7.818 2.432 634 1HG PRO 83 2HG PRO 83 1.963 -8.750 3.599 635 2HG PRO 83 1HG PRO 83 3.035 -9.552 2.440 636 1HD PRO 83 2HD PRO 83 2.920 -9.978 5.252 637 2HD PRO 83 1HD PRO 83 4.110 -10.640 4.117 638 H THR 84 H THR 84 4.163 -4.958 4.993 639 HA THR 84 HA THR 84 1.809 -5.397 6.668 640 HB THR 84 HB THR 84 3.758 -3.188 6.794 641 HG1 THR 84 1HG THR 84 4.444 -5.268 7.755 642 1HG2 THR 84 1HG2 THR 84 1.355 -3.737 8.545 643 2HG2 THR 84 2HG2 THR 84 1.549 -2.392 7.419 644 3HG2 THR 84 3HG2 THR 84 2.544 -2.476 8.873 645 H PHE 85 H PHE 85 -0.041 -4.566 5.903 646 HA PHE 85 HA PHE 85 0.129 -2.736 3.663 647 1HB PHE 85 2HB PHE 85 -2.101 -4.526 4.651 648 2HB PHE 85 1HB PHE 85 -2.169 -3.449 3.281 649 HD1 PHE 85 1HD PHE 85 -0.955 -3.973 1.225 650 HD2 PHE 85 2HD PHE 85 -0.970 -6.634 4.544 651 HE1 PHE 85 1HE PHE 85 -0.153 -5.781 -0.228 652 HE2 PHE 85 2HE PHE 85 -0.165 -8.448 3.098 653 HZ PHE 85 HZ PHE 85 0.242 -8.019 0.704 654 H MET 86 H MET 86 -0.360 -0.717 4.156 655 HA MET 86 HA MET 86 -1.999 -0.282 6.546 656 1HB MET 86 2HB MET 86 0.215 0.707 6.717 657 2HB MET 86 1HB MET 86 -0.073 1.623 5.235 658 1HG MET 86 2HG MET 86 -1.882 2.836 6.323 659 2HG MET 86 1HG MET 86 -1.642 1.907 7.792 660 1HE MET 86 1HE MET 86 1.634 1.777 7.861 661 2HE MET 86 2HE MET 86 0.563 1.998 9.235 662 3HE MET 86 3HE MET 86 1.894 3.122 8.976 663 H PHE 87 H PHE 87 -3.978 0.382 6.251 664 HA PHE 87 HA PHE 87 -4.702 1.454 3.681 665 1HB PHE 87 2HB PHE 87 -6.177 0.125 5.931 666 2HB PHE 87 1HB PHE 87 -6.960 0.872 4.560 667 HD1 PHE 87 1HD PHE 87 -7.114 -0.288 2.476 668 HD2 PHE 87 2HD PHE 87 -4.745 -1.887 5.627 669 HE1 PHE 87 1HE PHE 87 -6.921 -2.410 1.249 670 HE2 PHE 87 2HE PHE 87 -4.543 -4.010 4.401 671 HZ PHE 87 HZ PHE 87 -5.629 -4.275 2.213 672 H LEU 88 H LEU 88 -4.816 3.677 3.735 673 HA LEU 88 HA LEU 88 -6.105 4.713 6.034 674 1HB LEU 88 2HB LEU 88 -4.552 6.620 6.165 675 2HB LEU 88 1HB LEU 88 -3.780 5.081 6.478 676 HG LEU 88 HG LEU 88 -2.276 6.475 5.391 677 1HD1 LEU 88 1HD1 LEU 88 -2.017 4.259 4.728 678 2HD1 LEU 88 2HD1 LEU 88 -1.615 5.332 3.395 679 3HD1 LEU 88 3HD1 LEU 88 -3.153 4.466 3.393 680 1HD2 LEU 88 1HD2 LEU 88 -2.624 7.518 3.201 681 2HD2 LEU 88 2HD2 LEU 88 -3.744 8.117 4.425 682 3HD2 LEU 88 3HD2 LEU 88 -4.293 6.954 3.221 683 H LYS 89 H LYS 89 -6.826 7.040 5.525 684 HA LYS 89 HA LYS 89 -7.620 7.125 2.712 685 1HB LYS 89 2HB LYS 89 -9.410 6.059 3.888 686 2HB LYS 89 1HB LYS 89 -9.444 7.350 5.082 687 1HG LYS 89 2HG LYS 89 -10.181 8.916 3.389 688 2HG LYS 89 1HG LYS 89 -10.122 7.651 2.152 689 1HD LYS 89 2HD LYS 89 -11.899 7.696 4.602 690 2HD LYS 89 1HD LYS 89 -12.411 8.060 2.955 691 1HE LYS 89 2HE LYS 89 -11.800 5.771 2.285 692 2HE LYS 89 1HE LYS 89 -11.344 5.409 3.939 693 1HZ LYS 89 1HZ LYS 89 -13.558 4.632 3.445 694 2HZ LYS 89 2HZ LYS 89 -14.034 6.170 3.002 695 3HZ LYS 89 3HZ LYS 89 -13.646 5.853 4.605 696 H GLU 90 H GLU 90 -7.137 8.937 1.868 697 HA GLU 90 HA GLU 90 -6.853 11.006 1.433 698 1HB GLU 90 2HB GLU 90 -8.575 11.467 3.833 699 2HB GLU 90 1HB GLU 90 -8.176 12.757 2.704 700 1HG GLU 90 2HG GLU 90 -9.281 11.507 0.916 701 2HG GLU 90 1HG GLU 90 -9.695 10.223 2.035 702 H GLY 91 H GLY 91 -5.034 9.654 3.284 703 1HA GLY 91 2HA GLY 91 -2.946 10.330 4.132 704 2HA GLY 91 1HA GLY 91 -3.590 11.945 4.369 705 H LYS 92 H LYS 92 -5.938 10.107 5.650 706 HA LYS 92 HA LYS 92 -4.747 10.221 8.333 707 1HB LYS 92 2HB LYS 92 -7.647 9.939 7.517 708 2HB LYS 92 1HB LYS 92 -7.073 9.969 9.169 709 1HG LYS 92 2HG LYS 92 -8.035 12.095 8.671 710 2HG LYS 92 1HG LYS 92 -6.296 12.314 8.780 711 1HD LYS 92 2HD LYS 92 -6.133 12.332 6.353 712 2HD LYS 92 1HD LYS 92 -7.859 12.018 6.212 713 1HE LYS 92 2HE LYS 92 -6.606 14.458 7.466 714 2HE LYS 92 1HE LYS 92 -7.335 14.392 5.862 715 1HZ LYS 92 1HZ LYS 92 -8.749 13.962 8.442 716 2HZ LYS 92 2HZ LYS 92 -9.457 13.837 6.924 717 3HZ LYS 92 3HZ LYS 92 -8.875 15.315 7.450 718 H ILE 93 H ILE 93 -4.441 8.369 9.493 719 HA ILE 93 HA ILE 93 -4.539 5.915 8.029 720 HB ILE 93 HB ILE 93 -3.706 6.412 10.903 721 1HG1 ILE 93 2HG1 ILE 93 -2.066 6.075 8.375 722 2HG1 ILE 93 1HG1 ILE 93 -2.335 7.583 9.237 723 1HG2 ILE 93 1HG2 ILE 93 -4.357 4.073 10.549 724 2HG2 ILE 93 2HG2 ILE 93 -2.611 4.207 10.762 725 3HG2 ILE 93 3HG2 ILE 93 -3.288 3.978 9.150 726 1HD1 ILE 93 1HD1 ILE 93 -1.122 6.697 11.164 727 2HD1 ILE 93 2HD1 ILE 93 -0.135 6.662 9.700 728 3HD1 ILE 93 3HD1 ILE 93 -0.870 5.177 10.302 729 H LEU 94 H LEU 94 -5.954 4.281 8.074 730 HA LEU 94 HA LEU 94 -8.205 4.534 9.896 731 1HB LEU 94 2HB LEU 94 -7.892 3.023 7.327 732 2HB LEU 94 1HB LEU 94 -9.319 2.991 8.316 733 HG LEU 94 HG LEU 94 -8.220 5.384 6.846 734 1HD1 LEU 94 1HD1 LEU 94 -9.286 3.765 5.398 735 2HD1 LEU 94 2HD1 LEU 94 -10.278 5.216 5.577 736 3HD1 LEU 94 3HD1 LEU 94 -10.710 3.750 6.446 737 1HD2 LEU 94 1HD2 LEU 94 -10.249 6.546 7.592 738 2HD2 LEU 94 2HD2 LEU 94 -9.225 6.095 8.949 739 3HD2 LEU 94 3HD2 LEU 94 -10.677 5.161 8.594 740 H ASP 95 H ASP 95 -6.445 1.878 8.243 741 HA ASP 95 HA ASP 95 -6.124 0.592 10.761 742 1HB ASP 95 2HB ASP 95 -7.015 -1.512 9.897 743 2HB ASP 95 1HB ASP 95 -8.267 -0.334 10.272 744 H LYS 96 H LYS 96 -4.846 -1.284 10.661 745 HA LYS 96 HA LYS 96 -2.899 -1.221 8.433 746 1HB LYS 96 2HB LYS 96 -2.263 -1.523 11.378 747 2HB LYS 96 1HB LYS 96 -1.106 -1.517 10.064 748 1HG LYS 96 2HG LYS 96 -1.564 0.810 9.615 749 2HG LYS 96 1HG LYS 96 -2.848 0.825 10.825 750 1HD LYS 96 2HD LYS 96 -1.162 0.259 12.554 751 2HD LYS 96 1HD LYS 96 0.098 0.367 11.326 752 1HE LYS 96 2HE LYS 96 -0.453 2.724 10.953 753 2HE LYS 96 1HE LYS 96 -1.753 2.609 12.133 754 1HZ LYS 96 1HZ LYS 96 0.247 3.610 13.075 755 2HZ LYS 96 2HZ LYS 96 1.133 2.225 12.734 756 3HZ LYS 96 3HZ LYS 96 -0.127 2.162 13.850 757 H VAL 97 H VAL 97 -2.383 -3.240 7.679 758 HA VAL 97 HA VAL 97 -3.227 -5.545 9.304 759 HB VAL 97 HB VAL 97 -2.853 -5.430 6.291 760 1HG1 VAL 97 1HG1 VAL 97 -2.421 -7.642 7.195 761 2HG1 VAL 97 2HG1 VAL 97 -3.923 -7.638 6.273 762 3HG1 VAL 97 3HG1 VAL 97 -3.972 -7.621 8.035 763 1HG2 VAL 97 1HG2 VAL 97 -5.421 -5.510 7.874 764 2HG2 VAL 97 2HG2 VAL 97 -5.295 -5.605 6.119 765 3HG2 VAL 97 3HG2 VAL 97 -4.812 -4.132 6.960 766 H VAL 98 H VAL 98 -1.539 -6.580 10.134 767 HA VAL 98 HA VAL 98 1.021 -6.323 8.775 768 HB VAL 98 HB VAL 98 1.024 -5.474 11.057 769 1HG1 VAL 98 1HG1 VAL 98 0.233 -8.233 11.935 770 2HG1 VAL 98 2HG1 VAL 98 -0.728 -6.756 12.075 771 3HG1 VAL 98 3HG1 VAL 98 0.755 -6.937 13.012 772 1HG2 VAL 98 1HG2 VAL 98 3.090 -6.427 10.242 773 2HG2 VAL 98 2HG2 VAL 98 2.600 -8.026 10.797 774 3HG2 VAL 98 3HG2 VAL 98 2.929 -6.750 11.971 775 H GLY 99 H GLY 99 1.746 -7.966 7.650 776 1HA GLY 99 2HA GLY 99 2.442 -10.177 7.388 777 2HA GLY 99 1HA GLY 99 1.247 -10.671 8.583 778 H ALA 100 H ALA 100 1.794 -11.538 5.710 779 HA ALA 100 HA ALA 100 -0.641 -10.764 4.355 780 1HB ALA 100 1HB ALA 100 0.080 -12.387 2.665 781 2HB ALA 100 2HB ALA 100 1.383 -12.924 3.722 782 3HB ALA 100 3HB ALA 100 1.397 -11.286 3.069 783 H LYS 101 H LYS 101 -2.385 -11.411 5.231 784 HA LYS 101 HA LYS 101 -2.702 -14.217 5.932 785 1HB LYS 101 2HB LYS 101 -3.864 -11.744 7.152 786 2HB LYS 101 1HB LYS 101 -4.412 -13.364 7.549 787 1HG LYS 101 2HG LYS 101 -2.160 -13.838 8.490 788 2HG LYS 101 1HG LYS 101 -1.679 -12.184 8.092 789 1HD LYS 101 2HD LYS 101 -3.388 -11.380 9.457 790 2HD LYS 101 1HD LYS 101 -3.889 -13.036 9.817 791 1HE LYS 101 2HE LYS 101 -1.688 -13.454 10.836 792 2HE LYS 101 1HE LYS 101 -1.227 -11.783 10.513 793 1HZ LYS 101 1HZ LYS 101 -3.018 -11.050 11.965 794 2HZ LYS 101 2HZ LYS 101 -1.947 -12.029 12.797 795 3HZ LYS 101 3HZ LYS 101 -3.447 -12.647 12.300 796 H LYS 102 H LYS 102 -4.137 -15.135 4.578 797 HA LYS 102 HA LYS 102 -5.294 -13.728 2.499 798 1HB LYS 102 2HB LYS 102 -4.697 -16.081 2.445 799 2HB LYS 102 1HB LYS 102 -5.961 -16.421 3.619 800 1HG LYS 102 2HG LYS 102 -7.639 -15.690 2.040 801 2HG LYS 102 1HG LYS 102 -6.374 -15.353 0.851 802 1HD LYS 102 2HD LYS 102 -6.992 -18.068 2.043 803 2HD LYS 102 1HD LYS 102 -7.475 -17.534 0.435 804 1HE LYS 102 2HE LYS 102 -5.096 -17.297 -0.177 805 2HE LYS 102 1HE LYS 102 -4.634 -17.844 1.429 806 1HZ LYS 102 1HZ LYS 102 -5.718 -19.955 0.987 807 2HZ LYS 102 2HZ LYS 102 -4.548 -19.650 -0.192 808 3HZ LYS 102 3HZ LYS 102 -6.181 -19.423 -0.536 809 H ASP 103 H ASP 103 -6.797 -15.073 5.458 810 HA ASP 103 HA ASP 103 -9.399 -14.209 4.665 811 1HB ASP 103 2HB ASP 103 -9.159 -16.171 6.090 812 2HB ASP 103 1HB ASP 103 -8.443 -15.186 7.358 813 H GLU 104 H GLU 104 -7.001 -12.970 6.886 814 HA GLU 104 HA GLU 104 -8.594 -10.852 7.928 815 1HB GLU 104 2HB GLU 104 -5.601 -11.029 7.647 816 2HB GLU 104 1HB GLU 104 -6.437 -9.789 8.556 817 1HG GLU 104 2HG GLU 104 -6.546 -12.732 9.166 818 2HG GLU 104 1HG GLU 104 -5.483 -11.570 9.956 819 H LEU 105 H LEU 105 -6.447 -10.986 5.127 820 HA LEU 105 HA LEU 105 -6.590 -8.253 4.529 821 1HB LEU 105 2HB LEU 105 -5.050 -9.953 3.495 822 2HB LEU 105 1HB LEU 105 -6.406 -10.524 2.587 823 HG LEU 105 HG LEU 105 -6.688 -8.359 1.492 824 1HD1 LEU 105 1HD1 LEU 105 -4.165 -7.581 2.951 825 2HD1 LEU 105 2HD1 LEU 105 -5.767 -6.877 3.179 826 3HD1 LEU 105 3HD1 LEU 105 -4.917 -6.658 1.654 827 1HD2 LEU 105 1HD2 LEU 105 -4.715 -8.476 0.055 828 2HD2 LEU 105 2HD2 LEU 105 -5.355 -10.080 0.415 829 3HD2 LEU 105 3HD2 LEU 105 -3.913 -9.490 1.255 830 H GLN 106 H GLN 106 -8.358 -11.000 3.312 831 HA GLN 106 HA GLN 106 -10.196 -9.582 1.728 832 1HB GLN 106 2HB GLN 106 -10.686 -12.227 3.114 833 2HB GLN 106 1HB GLN 106 -11.654 -11.560 1.808 834 1HG GLN 106 2HG GLN 106 -8.769 -12.402 1.636 835 2HG GLN 106 1HG GLN 106 -10.153 -13.273 0.987 836 1HE2 GLN 106 1HE2 GLN 106 -7.795 -12.226 -0.343 837 2HE2 GLN 106 2HE2 GLN 106 -8.380 -11.170 -1.571 838 H SER 107 H SER 107 -10.305 -10.263 5.192 839 HA SER 107 HA SER 107 -12.984 -9.337 5.460 840 1HB SER 107 2HB SER 107 -10.793 -9.611 7.528 841 2HB SER 107 1HB SER 107 -12.513 -9.387 7.873 842 HG SER 107 HG SER 107 -11.203 -11.603 6.711 843 H THR 108 H THR 108 -9.810 -7.848 5.718 844 HA THR 108 HA THR 108 -10.702 -5.277 6.553 845 HB THR 108 HB THR 108 -8.233 -6.121 5.008 846 HG1 THR 108 1HG THR 108 -8.154 -7.091 7.000 847 1HG2 THR 108 1HG2 THR 108 -7.252 -4.005 5.817 848 2HG2 THR 108 2HG2 THR 108 -8.793 -3.575 6.556 849 3HG2 THR 108 3HG2 THR 108 -8.665 -3.710 4.802 850 H ILE 109 H ILE 109 -10.216 -6.777 3.380 851 HA ILE 109 HA ILE 109 -10.784 -4.425 1.948 852 HB ILE 109 HB ILE 109 -11.071 -7.317 1.061 853 1HG1 ILE 109 2HG1 ILE 109 -8.829 -5.326 0.660 854 2HG1 ILE 109 1HG1 ILE 109 -8.804 -6.669 1.799 855 1HG2 ILE 109 1HG2 ILE 109 -10.967 -6.399 -1.225 856 2HG2 ILE 109 2HG2 ILE 109 -10.906 -4.768 -0.543 857 3HG2 ILE 109 3HG2 ILE 109 -12.358 -5.745 -0.345 858 1HD1 ILE 109 1HD1 ILE 109 -8.924 -8.238 -0.052 859 2HD1 ILE 109 2HD1 ILE 109 -7.546 -7.141 -0.208 860 3HD1 ILE 109 3HD1 ILE 109 -8.990 -6.891 -1.189 861 H ALA 110 H ALA 110 -12.820 -6.994 3.239 862 HA ALA 110 HA ALA 110 -15.227 -6.039 2.062 863 1HB ALA 110 1HB ALA 110 -15.007 -8.343 2.921 864 2HB ALA 110 2HB ALA 110 -16.377 -7.505 3.650 865 3HB ALA 110 3HB ALA 110 -14.876 -7.705 4.558 866 H LYS 111 H LYS 111 -13.507 -5.234 5.101 867 HA LYS 111 HA LYS 111 -15.448 -3.740 6.249 868 1HB LYS 111 2HB LYS 111 -12.613 -4.131 6.232 869 2HB LYS 111 1HB LYS 111 -13.080 -2.765 7.154 870 1HG LYS 111 2HG LYS 111 -14.605 -4.421 8.423 871 2HG LYS 111 1HG LYS 111 -13.747 -5.685 7.533 872 1HD LYS 111 2HD LYS 111 -11.635 -4.936 8.501 873 2HD LYS 111 1HD LYS 111 -12.473 -3.634 9.343 874 1HE LYS 111 2HE LYS 111 -13.778 -5.290 10.592 875 2HE LYS 111 1HE LYS 111 -12.928 -6.586 9.747 876 1HZ LYS 111 1HZ LYS 111 -10.873 -5.860 10.756 877 2HZ LYS 111 2HZ LYS 111 -12.016 -6.160 11.946 878 3HZ LYS 111 3HZ LYS 111 -11.654 -4.572 11.517 879 H HIS 112 H HIS 112 -12.979 -3.032 3.816 880 HA HIS 112 HA HIS 112 -13.620 -0.242 3.791 881 1HB HIS 112 2HB HIS 112 -11.702 -1.970 2.291 882 2HB HIS 112 1HB HIS 112 -12.023 -0.323 1.787 883 HD1 HIS 112 1HD HIS 112 -10.641 1.416 2.891 884 HD2 HIS 112 2HD HIS 112 -10.550 -2.158 4.977 885 HE1 HIS 112 1HE HIS 112 -8.919 1.733 4.692 886 HE2 HIS 112 2HE HIS 112 -9.118 -0.340 6.108 887 H LEU 113 H LEU 113 -14.676 -3.134 2.062 888 HA LEU 113 HA LEU 113 -15.406 -2.051 -0.341 889 1HB LEU 113 2HB LEU 113 -15.121 -4.421 0.420 890 2HB LEU 113 1HB LEU 113 -16.650 -4.220 1.240 891 HG LEU 113 HG LEU 113 -16.684 -5.494 -0.771 892 1HD1 LEU 113 1HD1 LEU 113 -18.381 -2.975 -0.904 893 2HD1 LEU 113 2HD1 LEU 113 -18.794 -4.475 -0.073 894 3HD1 LEU 113 3HD1 LEU 113 -18.719 -4.434 -1.836 895 1HD2 LEU 113 1HD2 LEU 113 -16.609 -4.396 -3.005 896 2HD2 LEU 113 2HD2 LEU 113 -15.074 -4.398 -2.135 897 3HD2 LEU 113 3HD2 LEU 113 -16.052 -2.931 -2.200 898 H ALA 114 H ALA 114 -16.695 -0.376 -0.554 899 HA ALA 114 HA ALA 114 -19.399 -0.437 0.201 900 1HB ALA 114 1HB ALA 114 -18.524 0.289 2.390 901 2HB ALA 114 2HB ALA 114 -19.400 1.610 1.613 902 3HB ALA 114 3HB ALA 114 -17.638 1.599 1.609 Start of MODEL 11 1 H MET 1 H MET 1 -13.836 3.442 -14.622 2 HA MET 1 HA MET 1 -13.018 6.006 -15.585 3 1HB MET 1 2HB MET 1 -12.416 5.340 -13.298 4 2HB MET 1 1HB MET 1 -11.437 4.023 -13.932 5 1HG MET 1 2HG MET 1 -9.964 5.623 -15.035 6 2HG MET 1 1HG MET 1 -10.954 6.947 -14.438 7 1HE MET 1 1HE MET 1 -7.617 7.268 -12.427 8 2HE MET 1 2HE MET 1 -8.758 8.094 -13.486 9 3HE MET 1 3HE MET 1 -7.805 6.738 -14.097 10 H ALA 2 H ALA 2 -12.001 6.454 -17.387 11 HA ALA 2 HA ALA 2 -11.048 4.327 -19.022 12 1HB ALA 2 1HB ALA 2 -12.177 6.248 -20.022 13 2HB ALA 2 2HB ALA 2 -10.534 6.082 -20.651 14 3HB ALA 2 3HB ALA 2 -10.895 7.307 -19.441 15 H SER 3 H SER 3 -9.434 3.408 -17.929 16 HA SER 3 HA SER 3 -6.829 4.359 -18.343 17 1HB SER 3 2HB SER 3 -7.401 5.710 -16.314 18 2HB SER 3 1HB SER 3 -7.842 4.231 -15.469 19 HG SER 3 HG SER 3 -5.838 4.368 -14.858 20 H GLU 4 H GLU 4 -5.349 2.540 -17.874 21 HA GLU 4 HA GLU 4 -6.662 0.056 -17.991 22 1HB GLU 4 2HB GLU 4 -4.343 -0.806 -18.016 23 2HB GLU 4 1HB GLU 4 -4.701 0.337 -19.306 24 1HG GLU 4 2HG GLU 4 -3.498 2.071 -18.078 25 2HG GLU 4 1HG GLU 4 -3.202 0.938 -16.762 26 H GLU 5 H GLU 5 -4.765 1.818 -15.638 27 HA GLU 5 HA GLU 5 -4.315 1.597 -13.475 28 1HB GLU 5 2HB GLU 5 -6.930 0.095 -13.455 29 2HB GLU 5 1HB GLU 5 -6.062 0.546 -11.996 30 1HG GLU 5 2HG GLU 5 -7.174 2.425 -14.065 31 2HG GLU 5 1HG GLU 5 -7.815 2.137 -12.450 32 H GLY 6 H GLY 6 -4.480 -0.287 -11.608 33 1HA GLY 6 2HA GLY 6 -3.589 -2.383 -11.012 34 2HA GLY 6 1HA GLY 6 -3.049 -2.604 -12.681 35 H GLN 7 H GLN 7 -2.523 0.470 -11.509 36 HA GLN 7 HA GLN 7 0.249 -0.176 -11.344 37 1HB GLN 7 2HB GLN 7 0.659 2.275 -11.699 38 2HB GLN 7 1HB GLN 7 0.116 1.301 -13.045 39 1HG GLN 7 2HG GLN 7 -1.052 3.384 -13.200 40 2HG GLN 7 1HG GLN 7 -2.229 2.254 -12.552 41 1HE2 GLN 7 1HE2 GLN 7 -3.494 3.898 -11.623 42 2HE2 GLN 7 2HE2 GLN 7 -2.952 4.793 -10.263 43 H VAL 8 H VAL 8 1.388 0.086 -9.894 44 HA VAL 8 HA VAL 8 0.452 1.303 -7.381 45 HB VAL 8 HB VAL 8 2.337 -1.058 -7.717 46 1HG1 VAL 8 1HG1 VAL 8 2.139 -1.305 -5.306 47 2HG1 VAL 8 2HG1 VAL 8 1.168 0.169 -5.238 48 3HG1 VAL 8 3HG1 VAL 8 2.856 0.245 -5.747 49 1HG2 VAL 8 1HG2 VAL 8 0.062 -1.708 -8.263 50 2HG2 VAL 8 2HG2 VAL 8 -0.517 -1.018 -6.749 51 3HG2 VAL 8 3HG2 VAL 8 0.548 -2.423 -6.725 52 H ILE 9 H ILE 9 1.923 2.782 -6.453 53 HA ILE 9 HA ILE 9 4.111 3.469 -8.190 54 HB ILE 9 HB ILE 9 3.158 4.723 -5.624 55 1HG1 ILE 9 2HG1 ILE 9 1.525 4.965 -7.410 56 2HG1 ILE 9 1HG1 ILE 9 2.321 6.502 -7.088 57 1HG2 ILE 9 1HG2 ILE 9 5.545 5.171 -5.965 58 2HG2 ILE 9 2HG2 ILE 9 4.597 6.634 -6.205 59 3HG2 ILE 9 3HG2 ILE 9 5.209 5.745 -7.600 60 1HD1 ILE 9 1HD1 ILE 9 1.996 6.151 -9.472 61 2HD1 ILE 9 2HD1 ILE 9 2.928 4.661 -9.397 62 3HD1 ILE 9 3HD1 ILE 9 3.712 6.208 -9.072 63 H ALA 10 H ALA 10 5.922 2.399 -7.996 64 HA ALA 10 HA ALA 10 6.677 1.173 -5.478 65 1HB ALA 10 1HB ALA 10 6.860 -0.156 -7.533 66 2HB ALA 10 2HB ALA 10 8.438 0.081 -6.784 67 3HB ALA 10 3HB ALA 10 7.983 1.028 -8.199 68 H CYS 11 H CYS 11 7.787 2.373 -4.080 69 HA CYS 11 HA CYS 11 9.301 4.603 -5.079 70 1HB CYS 11 2HB CYS 11 8.817 3.767 -2.245 71 2HB CYS 11 1HB CYS 11 9.358 5.294 -2.861 72 HG CYS 11 HG CYS 11 6.261 4.166 -3.737 73 H HIS 12 H HIS 12 11.308 4.129 -5.620 74 HA HIS 12 HA HIS 12 12.766 2.028 -4.204 75 1HB HIS 12 2HB HIS 12 13.468 3.653 -6.662 76 2HB HIS 12 1HB HIS 12 14.499 2.419 -5.975 77 HD1 HIS 12 1HD HIS 12 14.034 0.031 -6.694 78 HD2 HIS 12 2HD HIS 12 11.069 2.675 -7.895 79 HE1 HIS 12 1HE HIS 12 12.577 -1.265 -8.276 80 HE2 HIS 12 2HE HIS 12 11.069 0.468 -9.243 81 H THR 13 H THR 13 12.064 5.152 -3.790 82 HA THR 13 HA THR 13 14.536 5.748 -2.386 83 HB THR 13 HB THR 13 13.321 7.801 -4.176 84 HG1 THR 13 1HG THR 13 13.976 6.237 -5.664 85 1HG2 THR 13 1HG2 THR 13 16.105 7.421 -3.091 86 2HG2 THR 13 2HG2 THR 13 14.896 8.565 -2.499 87 3HG2 THR 13 3HG2 THR 13 15.597 8.767 -4.107 88 H VAL 14 H VAL 14 14.128 7.591 -1.008 89 HA VAL 14 HA VAL 14 11.544 7.566 0.215 90 HB VAL 14 HB VAL 14 13.636 7.878 1.527 91 1HG1 VAL 14 1HG1 VAL 14 13.769 10.604 0.262 92 2HG1 VAL 14 2HG1 VAL 14 14.902 9.280 0.020 93 3HG1 VAL 14 3HG1 VAL 14 14.770 10.050 1.604 94 1HG2 VAL 14 1HG2 VAL 14 12.838 9.678 3.025 95 2HG2 VAL 14 2HG2 VAL 14 11.562 8.559 2.562 96 3HG2 VAL 14 3HG2 VAL 14 11.663 10.149 1.798 97 H GLU 15 H GLU 15 13.098 9.422 -2.162 98 HA GLU 15 HA GLU 15 11.735 11.870 -2.084 99 1HB GLU 15 2HB GLU 15 13.831 11.324 -3.353 100 2HB GLU 15 1HB GLU 15 12.877 10.363 -4.447 101 1HG GLU 15 2HG GLU 15 12.579 13.355 -4.112 102 2HG GLU 15 1HG GLU 15 13.584 12.579 -5.321 103 H THR 16 H THR 16 11.144 8.959 -4.060 104 HA THR 16 HA THR 16 8.743 9.785 -5.243 105 HB THR 16 HB THR 16 9.670 6.969 -4.635 106 HG1 THR 16 1HG THR 16 10.306 8.701 -6.814 107 1HG2 THR 16 1HG2 THR 16 7.982 8.103 -6.877 108 2HG2 THR 16 2HG2 THR 16 7.378 7.143 -5.530 109 3HG2 THR 16 3HG2 THR 16 8.470 6.416 -6.713 110 H TRP 17 H TRP 17 9.523 8.052 -2.329 111 HA TRP 17 HA TRP 17 7.016 7.169 -1.550 112 1HB TRP 17 2HB TRP 17 8.970 6.229 -0.607 113 2HB TRP 17 1HB TRP 17 9.565 7.804 -0.122 114 HD1 TRP 17 HD TRP 17 9.540 8.029 2.378 115 HE1 TRP 17 1HE TRP 17 8.078 7.250 4.298 116 HE3 TRP 17 3HE TRP 17 6.034 5.491 -0.314 117 HZ2 TRP 17 2HZ TRP 17 5.691 5.746 4.643 118 HZ3 TRP 17 3HZ TRP 17 4.190 4.425 0.885 119 HH2 TRP 17 HH TRP 17 4.021 4.549 3.320 120 H ASN 18 H ASN 18 8.767 10.078 -0.493 121 HA ASN 18 HA ASN 18 6.639 10.892 1.228 122 1HB ASN 18 2HB ASN 18 9.040 11.451 1.569 123 2HB ASN 18 1HB ASN 18 8.928 12.558 0.217 124 1HD2 ASN 18 1HD2 ASN 18 9.410 14.333 1.485 125 2HD2 ASN 18 2HD2 ASN 18 8.280 15.007 2.589 126 H GLU 19 H GLU 19 7.693 11.861 -1.968 127 HA GLU 19 HA GLU 19 6.167 14.197 -2.303 128 1HB GLU 19 2HB GLU 19 8.006 13.484 -3.796 129 2HB GLU 19 1HB GLU 19 6.994 12.187 -4.399 130 1HG GLU 19 2HG GLU 19 7.042 13.989 -5.986 131 2HG GLU 19 1HG GLU 19 5.430 13.853 -5.291 132 H GLN 20 H GLN 20 5.340 10.792 -3.235 133 HA GLN 20 HA GLN 20 2.872 11.450 -4.186 134 1HB GLN 20 2HB GLN 20 4.407 9.087 -3.575 135 2HB GLN 20 1HB GLN 20 2.672 8.846 -3.720 136 1HG GLN 20 2HG GLN 20 3.879 8.459 -5.867 137 2HG GLN 20 1HG GLN 20 2.706 9.777 -5.916 138 1HE2 GLN 20 1HE2 GLN 20 6.083 9.003 -5.901 139 2HE2 GLN 20 2HE2 GLN 20 6.633 10.528 -6.513 140 H LEU 21 H LEU 21 3.928 10.621 -0.858 141 HA LEU 21 HA LEU 21 1.390 10.129 0.106 142 1HB LEU 21 2HB LEU 21 3.912 11.101 1.245 143 2HB LEU 21 1HB LEU 21 2.519 10.746 2.224 144 HG LEU 21 HG LEU 21 4.162 8.799 0.600 145 1HD1 LEU 21 1HD1 LEU 21 4.733 7.857 2.777 146 2HD1 LEU 21 2HD1 LEU 21 3.799 9.126 3.570 147 3HD1 LEU 21 3HD1 LEU 21 5.238 9.540 2.638 148 1HD2 LEU 21 1HD2 LEU 21 1.730 8.276 2.319 149 2HD2 LEU 21 2HD2 LEU 21 2.752 7.045 1.589 150 3HD2 LEU 21 3HD2 LEU 21 1.810 8.125 0.562 151 H GLN 22 H GLN 22 3.409 13.037 0.011 152 HA GLN 22 HA GLN 22 1.610 14.715 1.295 153 1HB GLN 22 2HB GLN 22 3.593 15.376 -0.877 154 2HB GLN 22 1HB GLN 22 2.748 16.571 0.095 155 1HG GLN 22 2HG GLN 22 3.814 15.687 2.100 156 2HG GLN 22 1HG GLN 22 4.655 14.489 1.114 157 1HE2 GLN 22 1HE2 GLN 22 4.403 17.834 1.943 158 2HE2 GLN 22 2HE2 GLN 22 5.914 18.314 1.256 159 H LYS 23 H LYS 23 1.964 13.833 -2.062 160 HA LYS 23 HA LYS 23 -0.042 15.488 -3.092 161 1HB LYS 23 2HB LYS 23 1.716 14.392 -4.461 162 2HB LYS 23 1HB LYS 23 0.980 12.835 -4.177 163 1HG LYS 23 2HG LYS 23 -0.391 15.095 -5.669 164 2HG LYS 23 1HG LYS 23 0.574 13.855 -6.454 165 1HD LYS 23 2HD LYS 23 -1.891 13.318 -4.790 166 2HD LYS 23 1HD LYS 23 -1.884 13.445 -6.546 167 1HE LYS 23 2HE LYS 23 -0.275 11.432 -4.960 168 2HE LYS 23 1HE LYS 23 -1.836 11.112 -5.691 169 1HZ LYS 23 1HZ LYS 23 0.609 11.898 -7.237 170 2HZ LYS 23 2HZ LYS 23 -0.913 11.511 -7.850 171 3HZ LYS 23 3HZ LYS 23 -0.023 10.340 -7.093 172 H ALA 24 H ALA 24 -0.196 12.119 -1.849 173 HA ALA 24 HA ALA 24 -2.929 11.764 -2.517 174 1HB ALA 24 1HB ALA 24 -1.392 9.887 -2.109 175 2HB ALA 24 2HB ALA 24 -2.824 9.797 -1.082 176 3HB ALA 24 3HB ALA 24 -1.292 10.355 -0.412 177 H ASN 25 H ASN 25 -1.289 13.012 0.278 178 HA ASN 25 HA ASN 25 -3.495 13.068 2.095 179 1HB ASN 25 2HB ASN 25 -0.960 13.287 2.549 180 2HB ASN 25 1HB ASN 25 -1.146 14.928 2.037 181 1HD2 ASN 25 1HD2 ASN 25 -0.385 13.886 4.635 182 2HD2 ASN 25 2HD2 ASN 25 -1.462 14.575 5.790 183 H GLU 26 H GLU 26 -1.849 15.494 0.222 184 HA GLU 26 HA GLU 26 -3.538 17.686 0.802 185 1HB GLU 26 2HB GLU 26 -1.239 17.913 -0.016 186 2HB GLU 26 1HB GLU 26 -1.728 17.270 -1.572 187 1HG GLU 26 2HG GLU 26 -3.191 19.209 -1.896 188 2HG GLU 26 1HG GLU 26 -2.657 19.862 -0.349 189 H SER 27 H SER 27 -3.517 15.459 -1.994 190 HA SER 27 HA SER 27 -5.739 16.843 -3.148 191 1HB SER 27 2HB SER 27 -4.278 14.361 -3.986 192 2HB SER 27 1HB SER 27 -5.454 15.238 -4.969 193 HG SER 27 HG SER 27 -3.280 15.817 -5.453 194 H LYS 28 H LYS 28 -5.604 14.932 -0.601 195 HA LYS 28 HA LYS 28 -6.964 13.560 0.501 196 1HB LYS 28 2HB LYS 28 -8.936 15.031 -1.123 197 2HB LYS 28 1HB LYS 28 -9.400 14.044 0.265 198 1HG LYS 28 2HG LYS 28 -7.972 15.474 1.689 199 2HG LYS 28 1HG LYS 28 -7.612 16.478 0.287 200 1HD LYS 28 2HD LYS 28 -9.991 17.009 0.073 201 2HD LYS 28 1HD LYS 28 -10.328 16.001 1.483 202 1HE LYS 28 2HE LYS 28 -8.923 17.435 2.859 203 2HE LYS 28 1HE LYS 28 -8.567 18.445 1.456 204 1HZ LYS 28 1HZ LYS 28 -10.901 18.993 1.309 205 2HZ LYS 28 2HZ LYS 28 -10.293 19.381 2.856 206 3HZ LYS 28 3HZ LYS 28 -11.239 17.994 2.633 207 H THR 29 H THR 29 -5.805 12.101 -1.224 208 HA THR 29 HA THR 29 -7.834 10.526 -2.605 209 HB THR 29 HB THR 29 -4.891 10.165 -2.636 210 HG1 THR 29 1HG THR 29 -6.402 12.199 -3.659 211 1HG2 THR 29 1HG2 THR 29 -7.043 9.448 -4.636 212 2HG2 THR 29 2HG2 THR 29 -6.186 8.331 -3.576 213 3HG2 THR 29 3HG2 THR 29 -5.319 9.159 -4.870 214 H LEU 30 H LEU 30 -8.039 8.440 -2.047 215 HA LEU 30 HA LEU 30 -7.223 7.753 0.626 216 1HB LEU 30 2HB LEU 30 -9.544 7.266 -0.292 217 2HB LEU 30 1HB LEU 30 -8.835 6.076 -1.349 218 HG LEU 30 HG LEU 30 -8.939 5.888 1.683 219 1HD1 LEU 30 1HD1 LEU 30 -10.616 4.154 1.312 220 2HD1 LEU 30 2HD1 LEU 30 -10.587 4.505 -0.414 221 3HD1 LEU 30 3HD1 LEU 30 -11.140 5.732 0.729 222 1HD2 LEU 30 1HD2 LEU 30 -7.045 4.625 0.716 223 2HD2 LEU 30 2HD2 LEU 30 -8.176 3.780 -0.344 224 3HD2 LEU 30 3HD2 LEU 30 -8.273 3.565 1.400 225 H VAL 31 H VAL 31 -5.386 6.407 0.991 226 HA VAL 31 HA VAL 31 -4.230 5.201 -1.375 227 HB VAL 31 HB VAL 31 -3.178 7.341 -1.056 228 1HG1 VAL 31 1HG1 VAL 31 -2.429 6.429 1.687 229 2HG1 VAL 31 2HG1 VAL 31 -3.610 7.682 1.296 230 3HG1 VAL 31 3HG1 VAL 31 -1.897 7.929 0.928 231 1HG2 VAL 31 1HG2 VAL 31 -1.750 5.560 -1.862 232 2HG2 VAL 31 2HG2 VAL 31 -1.350 5.111 -0.204 233 3HG2 VAL 31 3HG2 VAL 31 -0.830 6.669 -0.847 234 H VAL 32 H VAL 32 -3.163 3.317 -1.113 235 HA VAL 32 HA VAL 32 -2.968 2.200 1.594 236 HB VAL 32 HB VAL 32 -3.626 0.743 -0.939 237 1HG1 VAL 32 1HG1 VAL 32 -2.272 -0.655 0.554 238 2HG1 VAL 32 2HG1 VAL 32 -3.926 -1.265 0.504 239 3HG1 VAL 32 3HG1 VAL 32 -3.376 -0.321 1.889 240 1HG2 VAL 32 1HG2 VAL 32 -5.809 0.260 0.106 241 2HG2 VAL 32 2HG2 VAL 32 -5.537 1.992 -0.117 242 3HG2 VAL 32 3HG2 VAL 32 -5.347 1.268 1.477 243 H VAL 33 H VAL 33 -0.997 1.543 2.121 244 HA VAL 33 HA VAL 33 1.012 1.453 -0.032 245 HB VAL 33 HB VAL 33 1.471 2.129 2.880 246 1HG1 VAL 33 1HG1 VAL 33 3.392 1.048 1.858 247 2HG1 VAL 33 2HG1 VAL 33 3.731 2.746 2.165 248 3HG1 VAL 33 3HG1 VAL 33 3.356 2.202 0.527 249 1HG2 VAL 33 1HG2 VAL 33 1.913 4.417 2.083 250 2HG2 VAL 33 2HG2 VAL 33 0.254 3.916 1.756 251 3HG2 VAL 33 3HG2 VAL 33 1.440 3.939 0.454 252 H ASP 34 H ASP 34 2.106 -0.351 -0.324 253 HA ASP 34 HA ASP 34 1.899 -2.526 1.613 254 1HB ASP 34 2HB ASP 34 1.182 -3.204 -0.565 255 2HB ASP 34 1HB ASP 34 2.567 -2.443 -1.329 256 H PHE 35 H PHE 35 3.525 -2.427 3.045 257 HA PHE 35 HA PHE 35 6.194 -1.710 2.174 258 1HB PHE 35 2HB PHE 35 5.073 -2.505 4.868 259 2HB PHE 35 1HB PHE 35 6.714 -1.984 4.553 260 HD1 PHE 35 1HD PHE 35 3.267 -0.944 5.059 261 HD2 PHE 35 2HD PHE 35 7.184 0.381 4.040 262 HE1 PHE 35 1HE PHE 35 2.600 1.375 5.521 263 HE2 PHE 35 2HE PHE 35 6.520 2.704 4.500 264 HZ PHE 35 HZ PHE 35 4.227 3.204 5.244 265 H THR 36 H THR 36 7.455 -3.349 1.464 266 HA THR 36 HA THR 36 6.854 -6.050 2.404 267 HB THR 36 HB THR 36 5.510 -5.631 0.352 268 HG1 THR 36 1HG THR 36 6.036 -7.449 -0.623 269 1HG2 THR 36 1HG2 THR 36 6.649 -5.366 -1.793 270 2HG2 THR 36 2HG2 THR 36 8.196 -5.188 -0.957 271 3HG2 THR 36 3HG2 THR 36 6.926 -3.980 -0.736 272 H ALA 37 H ALA 37 8.505 -7.542 1.280 273 HA ALA 37 HA ALA 37 11.075 -6.245 0.874 274 1HB ALA 37 1HB ALA 37 12.183 -8.037 2.170 275 2HB ALA 37 2HB ALA 37 10.601 -8.683 2.605 276 3HB ALA 37 3HB ALA 37 11.089 -7.090 3.178 277 H SER 38 H SER 38 12.018 -6.981 -0.847 278 HA SER 38 HA SER 38 10.693 -8.475 -2.783 279 1HB SER 38 2HB SER 38 13.665 -8.063 -2.561 280 2HB SER 38 1HB SER 38 12.757 -8.391 -4.037 281 HG SER 38 HG SER 38 12.355 -6.112 -2.366 282 H TRP 39 H TRP 39 12.632 -9.628 -0.163 283 HA TRP 39 HA TRP 39 13.001 -12.205 -1.436 284 1HB TRP 39 2HB TRP 39 14.526 -12.673 0.566 285 2HB TRP 39 1HB TRP 39 15.038 -11.456 -0.581 286 HD1 TRP 39 HD TRP 39 15.687 -9.236 0.351 287 HE1 TRP 39 1HE TRP 39 15.558 -8.044 2.634 288 HE3 TRP 39 3HE TRP 39 12.784 -12.607 2.837 289 HZ2 TRP 39 2HZ TRP 39 14.352 -8.488 5.150 290 HZ3 TRP 39 3HZ TRP 39 12.181 -12.150 5.172 291 HH2 TRP 39 HH TRP 39 12.954 -10.126 6.303 292 H CYS 40 H CYS 40 10.564 -10.973 0.477 293 HA CYS 40 HA CYS 40 10.403 -13.472 1.915 294 1HB CYS 40 2HB CYS 40 8.464 -12.402 3.211 295 2HB CYS 40 1HB CYS 40 10.077 -11.769 3.494 296 H GLY 41 H GLY 41 9.066 -15.029 1.685 297 1HA GLY 41 2HA GLY 41 7.930 -15.526 -0.810 298 2HA GLY 41 1HA GLY 41 7.646 -16.474 0.636 299 HA PRO 42 HA PRO 42 3.416 -15.124 1.097 300 1HB PRO 42 2HB PRO 42 3.418 -13.349 3.268 301 2HB PRO 42 1HB PRO 42 3.227 -15.101 3.373 302 1HG PRO 42 2HG PRO 42 5.680 -13.440 3.758 303 2HG PRO 42 1HG PRO 42 5.156 -14.887 4.634 304 1HD PRO 42 2HD PRO 42 7.084 -15.027 2.806 305 2HD PRO 42 1HD PRO 42 5.867 -16.319 2.931 306 H CYS 43 H CYS 43 5.792 -12.591 1.266 307 HA CYS 43 HA CYS 43 4.087 -10.378 0.651 308 1HB CYS 43 2HB CYS 43 7.034 -10.631 0.118 309 2HB CYS 43 1HB CYS 43 6.120 -9.164 0.440 310 H ARG 44 H ARG 44 6.155 -12.554 -1.144 311 HA ARG 44 HA ARG 44 5.911 -11.274 -3.664 312 1HB ARG 44 2HB ARG 44 7.810 -12.665 -2.975 313 2HB ARG 44 1HB ARG 44 6.752 -14.051 -2.867 314 1HG ARG 44 2HG ARG 44 6.399 -14.013 -5.253 315 2HG ARG 44 1HG ARG 44 7.382 -12.552 -5.402 316 1HD ARG 44 2HD ARG 44 8.304 -15.232 -4.380 317 2HD ARG 44 1HD ARG 44 8.703 -14.514 -5.946 318 HE ARG 44 HE ARG 44 9.551 -12.635 -4.287 319 1HH1 ARG 44 1HH1 ARG 44 10.086 -16.129 -4.196 320 2HH1 ARG 44 2HH1 ARG 44 11.632 -16.031 -3.482 321 1HH2 ARG 44 1HH2 ARG 44 11.708 -12.518 -3.256 322 2HH2 ARG 44 2HH2 ARG 44 12.557 -13.974 -2.954 323 H PHE 45 H PHE 45 4.328 -13.898 -1.996 324 HA PHE 45 HA PHE 45 2.751 -14.828 -4.162 325 1HB PHE 45 2HB PHE 45 3.282 -16.206 -2.194 326 2HB PHE 45 1HB PHE 45 2.347 -15.123 -1.174 327 HD1 PHE 45 1HD PHE 45 2.161 -17.669 -3.825 328 HD2 PHE 45 2HD PHE 45 -0.034 -15.294 -1.059 329 HE1 PHE 45 1HE PHE 45 0.165 -19.047 -4.229 330 HE2 PHE 45 2HE PHE 45 -2.034 -16.668 -1.460 331 HZ PHE 45 HZ PHE 45 -1.934 -18.549 -3.046 332 H ILE 46 H ILE 46 2.308 -12.314 -1.751 333 HA ILE 46 HA ILE 46 -0.505 -12.023 -2.384 334 HB ILE 46 HB ILE 46 0.455 -11.739 -0.040 335 1HG1 ILE 46 2HG1 ILE 46 -0.952 -9.752 0.539 336 2HG1 ILE 46 1HG1 ILE 46 -1.171 -9.466 -1.189 337 1HG2 ILE 46 1HG2 ILE 46 1.408 -9.086 -1.102 338 2HG2 ILE 46 2HG2 ILE 46 2.418 -10.452 -0.654 339 3HG2 ILE 46 3HG2 ILE 46 1.475 -9.628 0.584 340 1HD1 ILE 46 1HD1 ILE 46 -1.972 -11.910 0.329 341 2HD1 ILE 46 2HD1 ILE 46 -2.260 -11.630 -1.398 342 3HD1 ILE 46 3HD1 ILE 46 -3.062 -10.623 -0.184 343 H ALA 47 H ALA 47 2.391 -10.923 -3.665 344 HA ALA 47 HA ALA 47 1.869 -8.258 -4.284 345 1HB ALA 47 1HB ALA 47 3.659 -8.359 -5.890 346 2HB ALA 47 2HB ALA 47 3.574 -10.112 -5.955 347 3HB ALA 47 3HB ALA 47 4.100 -9.313 -4.478 348 HA PRO 48 HA PRO 48 -0.008 -9.617 -8.606 349 1HB PRO 48 2HB PRO 48 -1.050 -12.296 -7.884 350 2HB PRO 48 1HB PRO 48 -0.302 -11.759 -9.390 351 1HG PRO 48 2HG PRO 48 1.039 -13.336 -7.754 352 2HG PRO 48 1HG PRO 48 1.859 -11.963 -8.526 353 1HD PRO 48 2HD PRO 48 0.755 -12.185 -5.752 354 2HD PRO 48 1HD PRO 48 2.334 -11.568 -6.277 355 H PHE 49 H PHE 49 -1.139 -10.491 -5.523 356 HA PHE 49 HA PHE 49 -3.951 -10.237 -6.123 357 1HB PHE 49 2HB PHE 49 -2.965 -11.706 -4.284 358 2HB PHE 49 1HB PHE 49 -2.665 -10.228 -3.387 359 HD1 PHE 49 1HD PHE 49 -4.508 -9.069 -2.240 360 HD2 PHE 49 2HD PHE 49 -5.203 -12.440 -4.749 361 HE1 PHE 49 1HE PHE 49 -6.782 -9.260 -1.365 362 HE2 PHE 49 2HE PHE 49 -7.485 -12.619 -3.871 363 HZ PHE 49 HZ PHE 49 -8.269 -11.030 -2.183 364 H PHE 50 H PHE 50 -1.487 -8.339 -4.417 365 HA PHE 50 HA PHE 50 -3.124 -6.083 -3.815 366 1HB PHE 50 2HB PHE 50 -0.916 -6.621 -2.740 367 2HB PHE 50 1HB PHE 50 -0.121 -6.207 -4.248 368 HD1 PHE 50 1HD PHE 50 0.424 -3.960 -4.740 369 HD2 PHE 50 2HD PHE 50 -2.163 -4.857 -1.488 370 HE1 PHE 50 1HE PHE 50 0.582 -1.630 -3.971 371 HE2 PHE 50 2HE PHE 50 -2.009 -2.527 -0.715 372 HZ PHE 50 HZ PHE 50 -0.632 -0.911 -1.957 373 H ALA 51 H ALA 51 -1.240 -6.962 -6.622 374 HA ALA 51 HA ALA 51 -1.550 -4.517 -8.026 375 1HB ALA 51 1HB ALA 51 -0.934 -5.798 -10.027 376 2HB ALA 51 2HB ALA 51 -1.182 -7.304 -9.144 377 3HB ALA 51 3HB ALA 51 0.117 -6.211 -8.669 378 H ASP 52 H ASP 52 -3.557 -7.322 -7.628 379 HA ASP 52 HA ASP 52 -5.503 -6.831 -9.655 380 1HB ASP 52 2HB ASP 52 -5.177 -8.988 -8.387 381 2HB ASP 52 1HB ASP 52 -5.834 -8.200 -6.992 382 H LEU 53 H LEU 53 -5.386 -6.179 -6.206 383 HA LEU 53 HA LEU 53 -7.621 -4.633 -5.875 384 1HB LEU 53 2HB LEU 53 -4.970 -4.879 -4.654 385 2HB LEU 53 1HB LEU 53 -5.859 -3.492 -4.156 386 HG LEU 53 HG LEU 53 -7.638 -5.049 -3.371 387 1HD1 LEU 53 1HD1 LEU 53 -7.199 -6.951 -4.788 388 2HD1 LEU 53 2HD1 LEU 53 -7.118 -7.411 -3.088 389 3HD1 LEU 53 3HD1 LEU 53 -5.634 -7.187 -4.014 390 1HD2 LEU 53 1HD2 LEU 53 -6.029 -4.147 -1.827 391 2HD2 LEU 53 2HD2 LEU 53 -4.881 -5.417 -2.238 392 3HD2 LEU 53 3HD2 LEU 53 -6.370 -5.822 -1.393 393 H ALA 54 H ALA 54 -4.403 -3.606 -6.891 394 HA ALA 54 HA ALA 54 -5.015 -0.876 -7.067 395 1HB ALA 54 1HB ALA 54 -2.726 -1.747 -7.000 396 2HB ALA 54 2HB ALA 54 -2.975 -0.663 -8.369 397 3HB ALA 54 3HB ALA 54 -2.936 -2.407 -8.620 398 H LYS 55 H LYS 55 -5.476 -3.489 -9.345 399 HA LYS 55 HA LYS 55 -6.117 -1.693 -11.480 400 1HB LYS 55 2HB LYS 55 -5.092 -3.893 -11.908 401 2HB LYS 55 1HB LYS 55 -6.534 -4.672 -11.284 402 1HG LYS 55 2HG LYS 55 -7.853 -3.743 -13.101 403 2HG LYS 55 1HG LYS 55 -6.430 -2.896 -13.714 404 1HD LYS 55 2HD LYS 55 -5.307 -5.039 -14.048 405 2HD LYS 55 1HD LYS 55 -6.735 -5.878 -13.447 406 1HE LYS 55 2HE LYS 55 -8.045 -4.951 -15.295 407 2HE LYS 55 1HE LYS 55 -6.611 -4.124 -15.896 408 1HZ LYS 55 1HZ LYS 55 -6.929 -7.064 -15.643 409 2HZ LYS 55 2HZ LYS 55 -5.556 -6.278 -16.232 410 3HZ LYS 55 3HZ LYS 55 -7.016 -6.185 -17.082 411 H LYS 56 H LYS 56 -7.876 -3.447 -9.048 412 HA LYS 56 HA LYS 56 -10.419 -3.084 -10.377 413 1HB LYS 56 2HB LYS 56 -9.500 -4.947 -8.695 414 2HB LYS 56 1HB LYS 56 -10.164 -3.875 -7.500 415 1HG LYS 56 2HG LYS 56 -11.690 -5.270 -9.715 416 2HG LYS 56 1HG LYS 56 -11.671 -5.742 -8.036 417 1HD LYS 56 2HD LYS 56 -13.732 -4.680 -8.277 418 2HD LYS 56 1HD LYS 56 -12.724 -3.391 -7.635 419 1HE LYS 56 2HE LYS 56 -14.145 -2.614 -9.464 420 2HE LYS 56 1HE LYS 56 -12.439 -2.482 -9.891 421 1HZ LYS 56 1HZ LYS 56 -13.777 -3.358 -11.704 422 2HZ LYS 56 2HZ LYS 56 -14.309 -4.623 -10.753 423 3HZ LYS 56 3HZ LYS 56 -12.688 -4.533 -11.196 424 H LEU 57 H LEU 57 -8.581 -1.589 -7.677 425 HA LEU 57 HA LEU 57 -10.753 0.289 -7.289 426 1HB LEU 57 2HB LEU 57 -8.359 -0.426 -5.604 427 2HB LEU 57 1HB LEU 57 -9.362 0.961 -5.277 428 HG LEU 57 HG LEU 57 -11.291 -0.589 -4.871 429 1HD1 LEU 57 1HD1 LEU 57 -10.637 -2.470 -6.196 430 2HD1 LEU 57 2HD1 LEU 57 -10.885 -2.970 -4.521 431 3HD1 LEU 57 3HD1 LEU 57 -9.247 -2.777 -5.155 432 1HD2 LEU 57 1HD2 LEU 57 -8.843 -1.094 -3.196 433 2HD2 LEU 57 2HD2 LEU 57 -10.502 -1.442 -2.718 434 3HD2 LEU 57 3HD2 LEU 57 -10.001 0.224 -3.006 435 HA PRO 58 HA PRO 58 -7.890 2.966 -9.551 436 1HB PRO 58 2HB PRO 58 -9.724 4.368 -10.906 437 2HB PRO 58 1HB PRO 58 -9.318 2.714 -11.371 438 1HG PRO 58 2HG PRO 58 -11.706 3.741 -9.938 439 2HG PRO 58 1HG PRO 58 -11.577 2.405 -11.091 440 1HD PRO 58 2HD PRO 58 -11.652 2.180 -8.285 441 2HD PRO 58 1HD PRO 58 -11.190 0.906 -9.426 442 H ASN 59 H ASN 59 -10.452 3.586 -7.393 443 HA ASN 59 HA ASN 59 -10.122 6.443 -7.153 444 1HB ASN 59 2HB ASN 59 -12.286 5.256 -6.749 445 2HB ASN 59 1HB ASN 59 -11.539 4.496 -5.353 446 1HD2 ASN 59 1HD2 ASN 59 -13.015 5.368 -3.921 447 2HD2 ASN 59 2HD2 ASN 59 -13.034 7.042 -3.525 448 H VAL 60 H VAL 60 -8.763 3.616 -5.830 449 HA VAL 60 HA VAL 60 -7.579 5.044 -3.584 450 HB VAL 60 HB VAL 60 -7.656 2.068 -4.170 451 1HG1 VAL 60 1HG1 VAL 60 -6.682 3.548 -1.731 452 2HG1 VAL 60 2HG1 VAL 60 -5.690 2.653 -2.880 453 3HG1 VAL 60 3HG1 VAL 60 -6.858 1.799 -1.867 454 1HG2 VAL 60 1HG2 VAL 60 -9.234 1.975 -2.276 455 2HG2 VAL 60 2HG2 VAL 60 -9.857 2.904 -3.639 456 3HG2 VAL 60 3HG2 VAL 60 -9.235 3.739 -2.218 457 H LEU 61 H LEU 61 -5.478 5.401 -3.479 458 HA LEU 61 HA LEU 61 -3.841 4.834 -5.853 459 1HB LEU 61 2HB LEU 61 -4.215 7.156 -4.743 460 2HB LEU 61 1HB LEU 61 -3.192 6.567 -3.462 461 HG LEU 61 HG LEU 61 -2.387 7.048 -6.334 462 1HD1 LEU 61 1HD1 LEU 61 -1.727 8.514 -3.806 463 2HD1 LEU 61 2HD1 LEU 61 -2.763 9.078 -5.118 464 3HD1 LEU 61 3HD1 LEU 61 -1.034 8.851 -5.391 465 1HD2 LEU 61 1HD2 LEU 61 -0.082 6.656 -5.591 466 2HD2 LEU 61 2HD2 LEU 61 -1.078 5.215 -5.389 467 3HD2 LEU 61 3HD2 LEU 61 -0.687 6.220 -3.994 468 H PHE 62 H PHE 62 -2.044 3.434 -5.645 469 HA PHE 62 HA PHE 62 -1.612 2.299 -2.960 470 1HB PHE 62 2HB PHE 62 -1.412 0.834 -5.573 471 2HB PHE 62 1HB PHE 62 -1.096 0.167 -4.001 472 HD1 PHE 62 1HD PHE 62 -2.830 -0.585 -2.564 473 HD2 PHE 62 2HD PHE 62 -3.804 1.412 -6.187 474 HE1 PHE 62 1HE PHE 62 -5.175 -1.279 -2.311 475 HE2 PHE 62 2HE PHE 62 -6.152 0.720 -5.938 476 HZ PHE 62 HZ PHE 62 -6.837 -0.631 -3.996 477 H LEU 63 H LEU 63 0.429 1.894 -2.343 478 HA LEU 63 HA LEU 63 2.622 2.495 -4.188 479 1HB LEU 63 2HB LEU 63 2.453 3.342 -1.297 480 2HB LEU 63 1HB LEU 63 3.945 3.284 -2.190 481 HG LEU 63 HG LEU 63 2.883 4.980 -3.770 482 1HD1 LEU 63 1HD1 LEU 63 0.949 5.247 -1.505 483 2HD1 LEU 63 2HD1 LEU 63 0.601 4.684 -3.139 484 3HD1 LEU 63 3HD1 LEU 63 1.110 6.356 -2.867 485 1HD2 LEU 63 1HD2 LEU 63 4.608 5.601 -2.199 486 2HD2 LEU 63 2HD2 LEU 63 3.402 5.797 -0.921 487 3HD2 LEU 63 3HD2 LEU 63 3.395 6.875 -2.315 488 H LYS 64 H LYS 64 4.566 1.427 -3.776 489 HA LYS 64 HA LYS 64 4.481 -0.988 -2.021 490 1HB LYS 64 2HB LYS 64 3.973 -1.336 -4.519 491 2HB LYS 64 1HB LYS 64 5.673 -0.918 -4.742 492 1HG LYS 64 2HG LYS 64 6.324 -2.614 -3.213 493 2HG LYS 64 1HG LYS 64 4.638 -3.024 -2.916 494 1HD LYS 64 2HD LYS 64 4.411 -3.560 -5.295 495 2HD LYS 64 1HD LYS 64 6.160 -3.309 -5.472 496 1HE LYS 64 2HE LYS 64 5.981 -5.634 -5.015 497 2HE LYS 64 1HE LYS 64 6.388 -4.666 -3.551 498 1HZ LYS 64 1HZ LYS 64 3.611 -5.514 -4.051 499 2HZ LYS 64 2HZ LYS 64 4.299 -4.920 -2.622 500 3HZ LYS 64 3HZ LYS 64 4.689 -6.442 -3.154 501 H VAL 65 H VAL 65 6.104 -0.946 -0.701 502 HA VAL 65 HA VAL 65 8.558 0.439 -1.557 503 HB VAL 65 HB VAL 65 7.341 0.605 1.217 504 1HG1 VAL 65 1HG1 VAL 65 9.120 2.225 1.689 505 2HG1 VAL 65 2HG1 VAL 65 9.800 1.929 0.089 506 3HG1 VAL 65 3HG1 VAL 65 9.768 0.634 1.286 507 1HG2 VAL 65 1HG2 VAL 65 7.004 2.997 0.734 508 2HG2 VAL 65 2HG2 VAL 65 6.078 1.964 -0.360 509 3HG2 VAL 65 3HG2 VAL 65 7.567 2.727 -0.916 510 H ASP 66 H ASP 66 10.157 -0.985 -1.588 511 HA ASP 66 HA ASP 66 10.156 -3.371 0.005 512 1HB ASP 66 2HB ASP 66 11.202 -3.332 -2.252 513 2HB ASP 66 1HB ASP 66 12.320 -2.120 -1.638 514 H THR 67 H THR 67 10.477 -3.219 2.101 515 HA THR 67 HA THR 67 11.694 -0.956 3.319 516 HB THR 67 HB THR 67 11.324 -2.283 5.439 517 HG1 THR 67 1HG THR 67 10.341 -4.261 5.262 518 1HG2 THR 67 1HG2 THR 67 9.633 -0.724 4.556 519 2HG2 THR 67 2HG2 THR 67 8.888 -2.127 5.319 520 3HG2 THR 67 3HG2 THR 67 8.968 -2.021 3.560 521 H ASP 68 H ASP 68 12.867 -3.845 2.134 522 HA ASP 68 HA ASP 68 15.200 -4.165 3.769 523 1HB ASP 68 2HB ASP 68 14.214 -5.951 2.397 524 2HB ASP 68 1HB ASP 68 14.571 -5.034 0.960 525 H GLU 69 H GLU 69 14.334 -2.554 0.880 526 HA GLU 69 HA GLU 69 16.897 -1.377 0.273 527 1HB GLU 69 2HB GLU 69 14.864 -1.759 -1.283 528 2HB GLU 69 1HB GLU 69 14.183 -0.386 -0.517 529 1HG GLU 69 2HG GLU 69 15.173 0.383 -2.542 530 2HG GLU 69 1HG GLU 69 16.111 1.005 -1.186 531 H LEU 70 H LEU 70 13.778 0.082 1.136 532 HA LEU 70 HA LEU 70 15.041 2.360 2.247 533 1HB LEU 70 2HB LEU 70 12.174 1.529 1.938 534 2HB LEU 70 1HB LEU 70 12.682 2.997 2.715 535 HG LEU 70 HG LEU 70 11.908 3.550 0.537 536 1HD1 LEU 70 1HD1 LEU 70 13.820 4.572 -0.534 537 2HD1 LEU 70 2HD1 LEU 70 14.895 3.644 0.513 538 3HD1 LEU 70 3HD1 LEU 70 13.783 4.827 1.210 539 1HD2 LEU 70 1HD2 LEU 70 13.836 1.539 -0.598 540 2HD2 LEU 70 2HD2 LEU 70 12.796 2.609 -1.536 541 3HD2 LEU 70 3HD2 LEU 70 12.086 1.347 -0.525 542 H LYS 71 H LYS 71 16.135 1.090 3.914 543 HA LYS 71 HA LYS 71 14.656 -0.155 5.995 544 1HB LYS 71 2HB LYS 71 17.527 0.738 5.927 545 2HB LYS 71 1HB LYS 71 16.804 -0.159 7.252 546 1HG LYS 71 2HG LYS 71 16.314 -2.013 5.747 547 2HG LYS 71 1HG LYS 71 17.018 -1.110 4.406 548 1HD LYS 71 2HD LYS 71 19.155 -1.064 5.551 549 2HD LYS 71 1HD LYS 71 18.453 -1.939 6.914 550 1HE LYS 71 2HE LYS 71 18.030 -3.862 5.505 551 2HE LYS 71 1HE LYS 71 18.613 -2.993 4.090 552 1HZ LYS 71 1HZ LYS 71 20.225 -3.737 6.468 553 2HZ LYS 71 2HZ LYS 71 20.788 -2.850 5.154 554 3HZ LYS 71 3HZ LYS 71 20.317 -4.453 4.937 555 H SER 72 H SER 72 15.869 3.077 5.540 556 HA SER 72 HA SER 72 15.484 3.919 8.211 557 1HB SER 72 2HB SER 72 16.865 5.143 6.452 558 2HB SER 72 1HB SER 72 15.327 5.613 5.742 559 HG SER 72 HG SER 72 14.857 6.872 7.453 560 H VAL 73 H VAL 73 13.458 3.983 5.317 561 HA VAL 73 HA VAL 73 11.201 5.227 6.470 562 HB VAL 73 HB VAL 73 11.316 3.241 4.172 563 1HG1 VAL 73 1HG1 VAL 73 9.059 3.369 5.082 564 2HG1 VAL 73 2HG1 VAL 73 9.138 4.133 3.495 565 3HG1 VAL 73 3HG1 VAL 73 9.089 5.128 4.950 566 1HG2 VAL 73 1HG2 VAL 73 11.207 5.220 2.734 567 2HG2 VAL 73 2HG2 VAL 73 12.632 5.270 3.779 568 3HG2 VAL 73 3HG2 VAL 73 11.225 6.256 4.159 569 H ALA 74 H ALA 74 12.219 1.880 6.278 570 HA ALA 74 HA ALA 74 9.940 0.660 7.306 571 1HB ALA 74 1HB ALA 74 11.811 -0.542 6.277 572 2HB ALA 74 2HB ALA 74 11.356 -1.221 7.843 573 3HB ALA 74 3HB ALA 74 12.796 -0.213 7.701 574 H SER 75 H SER 75 12.756 1.991 9.026 575 HA SER 75 HA SER 75 11.670 1.281 11.572 576 1HB SER 75 2HB SER 75 14.107 1.511 11.190 577 2HB SER 75 1HB SER 75 13.889 3.234 10.902 578 HG SER 75 HG SER 75 13.634 1.758 13.272 579 H ASP 76 H ASP 76 11.653 4.129 9.543 580 HA ASP 76 HA ASP 76 10.745 6.027 11.404 581 1HB ASP 76 2HB ASP 76 11.796 6.580 9.233 582 2HB ASP 76 1HB ASP 76 10.381 5.965 8.401 583 H TRP 77 H TRP 77 8.967 3.811 9.312 584 HA TRP 77 HA TRP 77 6.502 4.837 10.397 585 1HB TRP 77 2HB TRP 77 7.072 3.111 8.046 586 2HB TRP 77 1HB TRP 77 5.422 3.310 8.644 587 HD1 TRP 77 HD TRP 77 8.335 5.477 7.282 588 HE1 TRP 77 1HE TRP 77 7.330 7.544 6.156 589 HE3 TRP 77 3HE TRP 77 3.415 4.656 8.351 590 HZ2 TRP 77 2HZ TRP 77 4.774 8.676 5.740 591 HZ3 TRP 77 3HZ TRP 77 1.749 6.273 7.541 592 HH2 TRP 77 HH TRP 77 2.413 8.238 6.269 593 H ALA 78 H ALA 78 8.624 2.601 11.243 594 HA ALA 78 HA ALA 78 8.730 0.820 12.551 595 1HB ALA 78 1HB ALA 78 5.875 1.393 13.360 596 2HB ALA 78 2HB ALA 78 7.297 2.148 14.076 597 3HB ALA 78 3HB ALA 78 7.039 0.409 14.245 598 H ILE 79 H ILE 79 8.909 -0.285 10.540 599 HA ILE 79 HA ILE 79 6.815 -2.325 10.269 600 HB ILE 79 HB ILE 79 8.705 -1.363 8.096 601 1HG1 ILE 79 2HG1 ILE 79 7.021 0.367 8.580 602 2HG1 ILE 79 1HG1 ILE 79 6.746 -0.351 7.001 603 1HG2 ILE 79 1HG2 ILE 79 8.113 -3.695 7.823 604 2HG2 ILE 79 2HG2 ILE 79 7.307 -2.732 6.581 605 3HG2 ILE 79 3HG2 ILE 79 6.400 -3.305 7.976 606 1HD1 ILE 79 1HD1 ILE 79 4.936 -1.702 7.954 607 2HD1 ILE 79 2HD1 ILE 79 4.657 0.024 8.182 608 3HD1 ILE 79 3HD1 ILE 79 5.221 -0.964 9.529 609 H GLN 80 H GLN 80 7.751 -3.787 11.641 610 HA GLN 80 HA GLN 80 10.522 -4.540 11.212 611 1HB GLN 80 2HB GLN 80 8.531 -5.314 13.338 612 2HB GLN 80 1HB GLN 80 10.102 -6.061 13.182 613 1HG GLN 80 2HG GLN 80 10.142 -4.434 14.954 614 2HG GLN 80 1HG GLN 80 11.151 -3.867 13.634 615 1HE2 GLN 80 1HE2 GLN 80 8.220 -3.394 15.409 616 2HE2 GLN 80 2HE2 GLN 80 7.893 -1.803 14.858 617 H ALA 81 H ALA 81 7.270 -5.694 10.666 618 HA ALA 81 HA ALA 81 8.420 -8.194 9.685 619 1HB ALA 81 1HB ALA 81 7.094 -8.564 11.702 620 2HB ALA 81 2HB ALA 81 6.370 -9.342 10.295 621 3HB ALA 81 3HB ALA 81 5.697 -7.834 10.913 622 H MET 82 H MET 82 8.273 -8.402 7.599 623 HA MET 82 HA MET 82 6.358 -6.818 6.144 624 1HB MET 82 2HB MET 82 8.750 -8.352 5.274 625 2HB MET 82 1HB MET 82 7.583 -7.694 4.135 626 1HG MET 82 2HG MET 82 9.174 -6.091 4.273 627 2HG MET 82 1HG MET 82 7.882 -5.502 5.247 628 1HE MET 82 1HE MET 82 11.517 -7.039 5.360 629 2HE MET 82 2HE MET 82 10.588 -8.228 6.270 630 3HE MET 82 3HE MET 82 11.779 -7.223 7.091 631 HA PRO 83 HA PRO 83 5.473 -6.753 4.283 632 1HB PRO 83 2HB PRO 83 3.243 -6.978 2.853 633 2HB PRO 83 1HB PRO 83 4.718 -7.813 2.358 634 1HG PRO 83 2HG PRO 83 2.270 -8.903 3.637 635 2HG PRO 83 1HG PRO 83 3.366 -9.672 2.480 636 1HD PRO 83 2HD PRO 83 3.354 -9.997 5.300 637 2HD PRO 83 1HD PRO 83 4.577 -10.599 4.167 638 H THR 84 H THR 84 4.198 -4.907 4.671 639 HA THR 84 HA THR 84 1.990 -5.285 6.567 640 HB THR 84 HB THR 84 3.831 -2.989 6.434 641 HG1 THR 84 1HG THR 84 4.340 -5.362 7.450 642 1HG2 THR 84 1HG2 THR 84 2.844 -2.379 8.646 643 2HG2 THR 84 2HG2 THR 84 1.757 -3.756 8.492 644 3HG2 THR 84 3HG2 THR 84 1.649 -2.420 7.346 645 H PHE 85 H PHE 85 0.106 -4.513 5.809 646 HA PHE 85 HA PHE 85 0.174 -2.746 3.504 647 1HB PHE 85 2HB PHE 85 -1.955 -4.516 4.689 648 2HB PHE 85 1HB PHE 85 -2.164 -3.477 3.293 649 HD1 PHE 85 1HD PHE 85 -1.143 -4.055 1.164 650 HD2 PHE 85 2HD PHE 85 -0.720 -6.575 4.565 651 HE1 PHE 85 1HE PHE 85 -0.374 -5.877 -0.285 652 HE2 PHE 85 2HE PHE 85 0.056 -8.403 3.113 653 HZ PHE 85 HZ PHE 85 0.226 -8.039 0.678 654 H MET 86 H MET 86 -0.258 -0.707 3.963 655 HA MET 86 HA MET 86 -1.793 -0.188 6.409 656 1HB MET 86 2HB MET 86 0.478 0.661 6.539 657 2HB MET 86 1HB MET 86 0.225 1.588 5.059 658 1HG MET 86 2HG MET 86 -1.449 2.946 6.172 659 2HG MET 86 1HG MET 86 -1.278 1.992 7.638 660 1HE MET 86 1HE MET 86 2.365 2.882 8.790 661 2HE MET 86 2HE MET 86 1.922 1.544 7.738 662 3HE MET 86 3HE MET 86 0.911 1.941 9.129 663 H PHE 87 H PHE 87 -3.728 0.585 6.167 664 HA PHE 87 HA PHE 87 -4.512 1.629 3.613 665 1HB PHE 87 2HB PHE 87 -5.950 0.437 5.958 666 2HB PHE 87 1HB PHE 87 -6.734 1.138 4.563 667 HD1 PHE 87 1HD PHE 87 -4.548 -1.623 5.704 668 HD2 PHE 87 2HD PHE 87 -7.012 -0.121 2.578 669 HE1 PHE 87 1HE PHE 87 -4.454 -3.806 4.587 670 HE2 PHE 87 2HE PHE 87 -6.918 -2.301 1.454 671 HZ PHE 87 HZ PHE 87 -5.642 -4.144 2.454 672 H LEU 88 H LEU 88 -4.599 3.794 3.604 673 HA LEU 88 HA LEU 88 -5.686 4.973 5.955 674 1HB LEU 88 2HB LEU 88 -4.190 6.975 5.755 675 2HB LEU 88 1HB LEU 88 -3.366 5.496 6.176 676 HG LEU 88 HG LEU 88 -3.328 6.617 3.387 677 1HD1 LEU 88 1HD1 LEU 88 -1.134 7.561 3.998 678 2HD1 LEU 88 2HD1 LEU 88 -1.376 7.041 5.663 679 3HD1 LEU 88 3HD1 LEU 88 -2.422 8.278 4.964 680 1HD2 LEU 88 1HD2 LEU 88 -1.294 5.253 3.203 681 2HD2 LEU 88 2HD2 LEU 88 -2.678 4.248 3.636 682 3HD2 LEU 88 3HD2 LEU 88 -1.500 4.712 4.866 683 H LYS 89 H LYS 89 -6.579 7.201 5.437 684 HA LYS 89 HA LYS 89 -7.606 7.157 2.701 685 1HB LYS 89 2HB LYS 89 -9.205 6.040 4.115 686 2HB LYS 89 1HB LYS 89 -9.177 7.382 5.243 687 1HG LYS 89 2HG LYS 89 -10.283 8.802 3.635 688 2HG LYS 89 1HG LYS 89 -10.202 7.535 2.405 689 1HD LYS 89 2HD LYS 89 -11.580 6.076 3.826 690 2HD LYS 89 1HD LYS 89 -11.666 7.346 5.040 691 1HE LYS 89 2HE LYS 89 -12.700 7.598 2.220 692 2HE LYS 89 1HE LYS 89 -13.682 7.131 3.602 693 1HZ LYS 89 1HZ LYS 89 -12.287 9.761 3.275 694 2HZ LYS 89 2HZ LYS 89 -13.195 9.298 4.607 695 3HZ LYS 89 3HZ LYS 89 -13.932 9.470 3.115 696 H GLU 90 H GLU 90 -7.064 8.929 1.816 697 HA GLU 90 HA GLU 90 -6.825 10.958 1.306 698 1HB GLU 90 2HB GLU 90 -8.751 11.395 3.543 699 2HB GLU 90 1HB GLU 90 -8.378 12.634 2.341 700 1HG GLU 90 2HG GLU 90 -9.219 11.228 0.570 701 2HG GLU 90 1HG GLU 90 -9.468 9.901 1.697 702 H GLY 91 H GLY 91 -4.957 9.863 3.124 703 1HA GLY 91 2HA GLY 91 -2.959 10.764 3.973 704 2HA GLY 91 1HA GLY 91 -3.793 12.279 4.268 705 H LYS 92 H LYS 92 -5.912 10.226 5.593 706 HA LYS 92 HA LYS 92 -4.558 10.313 8.207 707 1HB LYS 92 2HB LYS 92 -6.734 11.527 7.985 708 2HB LYS 92 1HB LYS 92 -7.490 10.011 7.538 709 1HG LYS 92 2HG LYS 92 -7.967 10.530 9.856 710 2HG LYS 92 1HG LYS 92 -6.969 9.081 9.747 711 1HD LYS 92 2HD LYS 92 -6.199 10.540 11.549 712 2HD LYS 92 1HD LYS 92 -4.977 10.426 10.284 713 1HE LYS 92 2HE LYS 92 -5.754 12.576 9.372 714 2HE LYS 92 1HE LYS 92 -6.949 12.675 10.662 715 1HZ LYS 92 1HZ LYS 92 -5.023 13.982 11.153 716 2HZ LYS 92 2HZ LYS 92 -4.001 12.653 10.996 717 3HZ LYS 92 3HZ LYS 92 -5.111 12.718 12.258 718 H ILE 93 H ILE 93 -4.087 8.385 9.201 719 HA ILE 93 HA ILE 93 -4.443 5.997 7.673 720 HB ILE 93 HB ILE 93 -3.277 6.324 10.457 721 1HG1 ILE 93 2HG1 ILE 93 -1.923 6.030 7.766 722 2HG1 ILE 93 1HG1 ILE 93 -2.035 7.526 8.681 723 1HG2 ILE 93 1HG2 ILE 93 -4.048 4.025 10.090 724 2HG2 ILE 93 2HG2 ILE 93 -2.287 4.096 10.118 725 3HG2 ILE 93 3HG2 ILE 93 -3.138 3.954 8.580 726 1HD1 ILE 93 1HD1 ILE 93 0.148 6.539 8.924 727 2HD1 ILE 93 2HD1 ILE 93 -0.568 5.028 9.484 728 3HD1 ILE 93 3HD1 ILE 93 -0.705 6.485 10.467 729 H LEU 94 H LEU 94 -5.863 4.396 7.818 730 HA LEU 94 HA LEU 94 -7.945 4.667 9.822 731 1HB LEU 94 2HB LEU 94 -7.814 3.117 7.265 732 2HB LEU 94 1HB LEU 94 -9.165 3.079 8.370 733 HG LEU 94 HG LEU 94 -8.227 5.425 6.728 734 1HD1 LEU 94 1HD1 LEU 94 -10.729 3.758 6.655 735 2HD1 LEU 94 2HD1 LEU 94 -9.437 3.763 5.452 736 3HD1 LEU 94 3HD1 LEU 94 -10.435 5.198 5.688 737 1HD2 LEU 94 1HD2 LEU 94 -10.478 5.250 8.725 738 2HD2 LEU 94 2HD2 LEU 94 -10.187 6.589 7.621 739 3HD2 LEU 94 3HD2 LEU 94 -9.012 6.226 8.885 740 H ASP 95 H ASP 95 -6.061 2.096 8.165 741 HA ASP 95 HA ASP 95 -5.722 0.733 10.643 742 1HB ASP 95 2HB ASP 95 -6.647 -1.306 9.850 743 2HB ASP 95 1HB ASP 95 -7.911 -0.114 10.125 744 H LYS 96 H LYS 96 -4.439 -1.082 10.423 745 HA LYS 96 HA LYS 96 -3.106 -1.457 7.905 746 1HB LYS 96 2HB LYS 96 -0.782 -1.377 9.041 747 2HB LYS 96 1HB LYS 96 -1.565 0.131 8.628 748 1HG LYS 96 2HG LYS 96 -0.490 0.310 10.784 749 2HG LYS 96 1HG LYS 96 -2.233 0.407 10.985 750 1HD LYS 96 2HD LYS 96 -2.245 -1.954 11.674 751 2HD LYS 96 1HD LYS 96 -0.490 -2.003 11.500 752 1HE LYS 96 2HE LYS 96 -0.255 -0.278 13.193 753 2HE LYS 96 1HE LYS 96 -2.008 -0.167 13.346 754 1HZ LYS 96 1HZ LYS 96 -0.364 -2.554 13.964 755 2HZ LYS 96 2HZ LYS 96 -2.043 -2.441 14.137 756 3HZ LYS 96 3HZ LYS 96 -1.032 -1.500 15.093 757 H VAL 97 H VAL 97 -2.199 -3.364 7.485 758 HA VAL 97 HA VAL 97 -2.789 -5.494 9.443 759 HB VAL 97 HB VAL 97 -2.765 -5.714 6.418 760 1HG1 VAL 97 1HG1 VAL 97 -3.583 -7.728 8.513 761 2HG1 VAL 97 2HG1 VAL 97 -2.148 -7.801 7.487 762 3HG1 VAL 97 3HG1 VAL 97 -3.750 -7.939 6.769 763 1HG2 VAL 97 1HG2 VAL 97 -5.120 -5.665 8.302 764 2HG2 VAL 97 2HG2 VAL 97 -5.207 -5.981 6.570 765 3HG2 VAL 97 3HG2 VAL 97 -4.682 -4.401 7.155 766 H VAL 98 H VAL 98 -0.996 -6.456 10.194 767 HA VAL 98 HA VAL 98 1.397 -6.354 8.560 768 HB VAL 98 HB VAL 98 1.674 -5.481 10.837 769 1HG1 VAL 98 1HG1 VAL 98 0.864 -8.209 11.808 770 2HG1 VAL 98 2HG1 VAL 98 -0.044 -6.709 12.008 771 3HG1 VAL 98 3HG1 VAL 98 1.511 -6.915 12.817 772 1HG2 VAL 98 1HG2 VAL 98 3.603 -6.832 11.557 773 2HG2 VAL 98 2HG2 VAL 98 3.600 -6.552 9.817 774 3HG2 VAL 98 3HG2 VAL 98 3.094 -8.115 10.459 775 H GLY 99 H GLY 99 1.974 -8.037 7.436 776 1HA GLY 99 2HA GLY 99 2.481 -10.344 7.233 777 2HA GLY 99 1HA GLY 99 1.129 -10.703 8.309 778 H ALA 100 H ALA 100 1.663 -11.641 5.523 779 HA ALA 100 HA ALA 100 -0.463 -10.278 4.072 780 1HB ALA 100 1HB ALA 100 1.566 -10.896 2.835 781 2HB ALA 100 2HB ALA 100 0.146 -11.726 2.205 782 3HB ALA 100 3HB ALA 100 1.285 -12.592 3.235 783 H LYS 101 H LYS 101 -2.391 -10.830 4.728 784 HA LYS 101 HA LYS 101 -2.975 -13.653 4.979 785 1HB LYS 101 2HB LYS 101 -4.024 -11.315 6.549 786 2HB LYS 101 1HB LYS 101 -4.661 -12.954 6.648 787 1HG LYS 101 2HG LYS 101 -2.542 -13.781 7.451 788 2HG LYS 101 1HG LYS 101 -1.799 -12.197 7.237 789 1HD LYS 101 2HD LYS 101 -2.236 -12.680 9.478 790 2HD LYS 101 1HD LYS 101 -3.300 -11.373 8.916 791 1HE LYS 101 2HE LYS 101 -5.155 -12.942 8.750 792 2HE LYS 101 1HE LYS 101 -4.094 -14.276 9.212 793 1HZ LYS 101 1HZ LYS 101 -4.802 -11.959 10.924 794 2HZ LYS 101 2HZ LYS 101 -3.784 -13.212 11.353 795 3HZ LYS 101 3HZ LYS 101 -5.403 -13.525 11.092 796 H LYS 102 H LYS 102 -4.187 -14.160 3.229 797 HA LYS 102 HA LYS 102 -5.227 -12.228 1.517 798 1HB LYS 102 2HB LYS 102 -4.388 -14.382 0.768 799 2HB LYS 102 1HB LYS 102 -5.689 -15.185 1.638 800 1HG LYS 102 2HG LYS 102 -7.319 -14.158 0.210 801 2HG LYS 102 1HG LYS 102 -6.032 -13.278 -0.628 802 1HD LYS 102 2HD LYS 102 -5.069 -15.381 -1.396 803 2HD LYS 102 1HD LYS 102 -6.307 -16.285 -0.520 804 1HE LYS 102 2HE LYS 102 -8.035 -15.267 -1.916 805 2HE LYS 102 1HE LYS 102 -6.796 -14.352 -2.777 806 1HZ LYS 102 1HZ LYS 102 -7.032 -17.309 -2.713 807 2HZ LYS 102 2HZ LYS 102 -5.854 -16.426 -3.536 808 3HZ LYS 102 3HZ LYS 102 -7.467 -16.305 -3.996 809 H ASP 103 H ASP 103 -6.847 -14.506 3.687 810 HA ASP 103 HA ASP 103 -9.481 -13.692 2.984 811 1HB ASP 103 2HB ASP 103 -9.137 -15.862 3.999 812 2HB ASP 103 1HB ASP 103 -8.474 -15.133 5.451 813 H GLU 104 H GLU 104 -7.355 -12.771 5.619 814 HA GLU 104 HA GLU 104 -9.191 -11.002 6.878 815 1HB GLU 104 2HB GLU 104 -7.179 -12.031 7.958 816 2HB GLU 104 1HB GLU 104 -6.166 -10.982 6.981 817 1HG GLU 104 2HG GLU 104 -6.361 -10.112 9.211 818 2HG GLU 104 1HG GLU 104 -7.176 -9.035 8.078 819 H LEU 105 H LEU 105 -6.834 -10.621 4.306 820 HA LEU 105 HA LEU 105 -6.885 -7.816 4.130 821 1HB LEU 105 2HB LEU 105 -5.288 -9.401 2.993 822 2HB LEU 105 1HB LEU 105 -6.573 -9.804 1.915 823 HG LEU 105 HG LEU 105 -6.704 -7.566 1.048 824 1HD1 LEU 105 1HD1 LEU 105 -6.000 -6.295 3.014 825 2HD1 LEU 105 2HD1 LEU 105 -4.971 -5.897 1.634 826 3HD1 LEU 105 3HD1 LEU 105 -4.378 -6.982 2.888 827 1HD2 LEU 105 1HD2 LEU 105 -3.883 -8.626 1.033 828 2HD2 LEU 105 2HD2 LEU 105 -4.573 -7.512 -0.148 829 3HD2 LEU 105 3HD2 LEU 105 -5.191 -9.158 -0.016 830 H GLN 106 H GLN 106 -8.592 -10.329 2.433 831 HA GLN 106 HA GLN 106 -10.407 -8.786 0.929 832 1HB GLN 106 2HB GLN 106 -10.801 -11.518 2.164 833 2HB GLN 106 1HB GLN 106 -11.960 -10.777 1.072 834 1HG GLN 106 2HG GLN 106 -9.092 -11.305 0.343 835 2HG GLN 106 1HG GLN 106 -10.408 -12.435 0.027 836 1HE2 GLN 106 1HE2 GLN 106 -9.030 -9.367 -0.802 837 2HE2 GLN 106 2HE2 GLN 106 -9.931 -9.129 -2.250 838 H SER 107 H SER 107 -10.631 -9.841 4.264 839 HA SER 107 HA SER 107 -13.226 -8.833 4.731 840 1HB SER 107 2HB SER 107 -12.174 -10.430 6.253 841 2HB SER 107 1HB SER 107 -10.925 -9.262 6.660 842 HG SER 107 HG SER 107 -12.192 -8.546 8.105 843 H THR 108 H THR 108 -10.034 -7.440 5.133 844 HA THR 108 HA THR 108 -10.854 -4.941 6.151 845 HB THR 108 HB THR 108 -8.381 -5.688 4.556 846 HG1 THR 108 1HG THR 108 -8.330 -6.954 6.344 847 1HG2 THR 108 1HG2 THR 108 -8.714 -3.255 4.737 848 2HG2 THR 108 2HG2 THR 108 -7.343 -3.775 5.718 849 3HG2 THR 108 3HG2 THR 108 -8.885 -3.402 6.485 850 H ILE 109 H ILE 109 -10.418 -6.153 2.839 851 HA ILE 109 HA ILE 109 -10.795 -3.666 1.576 852 HB ILE 109 HB ILE 109 -11.479 -6.419 0.484 853 1HG1 ILE 109 2HG1 ILE 109 -8.902 -4.809 0.163 854 2HG1 ILE 109 1HG1 ILE 109 -9.112 -6.233 1.176 855 1HG2 ILE 109 1HG2 ILE 109 -12.545 -4.625 -0.780 856 2HG2 ILE 109 2HG2 ILE 109 -11.244 -5.349 -1.734 857 3HG2 ILE 109 3HG2 ILE 109 -10.996 -3.795 -0.933 858 1HD1 ILE 109 1HD1 ILE 109 -9.594 -7.537 -0.822 859 2HD1 ILE 109 2HD1 ILE 109 -8.009 -6.786 -0.860 860 3HD1 ILE 109 3HD1 ILE 109 -9.335 -6.098 -1.810 861 H ALA 110 H ALA 110 -13.062 -6.218 2.568 862 HA ALA 110 HA ALA 110 -15.362 -4.944 1.508 863 1HB ALA 110 1HB ALA 110 -15.288 -7.355 2.037 864 2HB ALA 110 2HB ALA 110 -16.640 -6.547 2.835 865 3HB ALA 110 3HB ALA 110 -15.195 -6.961 3.754 866 H LYS 111 H LYS 111 -13.667 -4.639 4.636 867 HA LYS 111 HA LYS 111 -15.589 -3.233 5.929 868 1HB LYS 111 2HB LYS 111 -12.782 -3.778 5.971 869 2HB LYS 111 1HB LYS 111 -13.261 -2.574 7.099 870 1HG LYS 111 2HG LYS 111 -14.948 -4.332 7.938 871 2HG LYS 111 1HG LYS 111 -14.117 -5.459 6.870 872 1HD LYS 111 2HD LYS 111 -12.027 -5.038 8.082 873 2HD LYS 111 1HD LYS 111 -12.886 -3.940 9.162 874 1HE LYS 111 2HE LYS 111 -14.342 -5.765 9.877 875 2HE LYS 111 1HE LYS 111 -13.505 -6.867 8.789 876 1HZ LYS 111 1HZ LYS 111 -12.300 -5.474 11.121 877 2HZ LYS 111 2HZ LYS 111 -11.477 -6.488 10.058 878 3HZ LYS 111 3HZ LYS 111 -12.698 -7.113 11.025 879 H HIS 112 H HIS 112 -13.104 -2.346 3.626 880 HA HIS 112 HA HIS 112 -13.519 0.463 4.001 881 1HB HIS 112 2HB HIS 112 -11.824 -1.183 2.165 882 2HB HIS 112 1HB HIS 112 -12.053 0.531 1.891 883 HD1 HIS 112 1HD HIS 112 -10.461 2.010 3.048 884 HD2 HIS 112 2HD HIS 112 -10.577 -1.740 4.789 885 HE1 HIS 112 1HE HIS 112 -8.611 2.008 4.751 886 HE2 HIS 112 2HE HIS 112 -8.932 -0.119 6.004 887 H LEU 113 H LEU 113 -14.632 -2.089 1.777 888 HA LEU 113 HA LEU 113 -15.451 -0.666 -0.376 889 1HB LEU 113 2HB LEU 113 -15.169 -3.097 -0.002 890 2HB LEU 113 1HB LEU 113 -16.646 -3.035 0.924 891 HG LEU 113 HG LEU 113 -16.774 -3.999 -1.271 892 1HD1 LEU 113 1HD1 LEU 113 -18.530 -1.551 -0.892 893 2HD1 LEU 113 2HD1 LEU 113 -18.854 -3.168 -0.274 894 3HD1 LEU 113 3HD1 LEU 113 -18.905 -2.860 -2.013 895 1HD2 LEU 113 1HD2 LEU 113 -15.288 -2.641 -2.529 896 2HD2 LEU 113 2HD2 LEU 113 -16.304 -1.217 -2.296 897 3HD2 LEU 113 3HD2 LEU 113 -16.876 -2.560 -3.287 898 H ALA 114 H ALA 114 -16.948 0.860 -0.640 899 HA ALA 114 HA ALA 114 -19.570 0.668 0.346 900 1HB ALA 114 1HB ALA 114 -17.837 2.843 1.548 901 2HB ALA 114 2HB ALA 114 -18.529 1.482 2.425 902 3HB ALA 114 3HB ALA 114 -19.586 2.712 1.729 Start of MODEL 12 1 H MET 1 H MET 1 -10.420 9.703 -21.478 2 HA MET 1 HA MET 1 -11.003 8.919 -18.750 3 1HB MET 1 2HB MET 1 -11.191 6.883 -20.159 4 2HB MET 1 1HB MET 1 -9.564 7.158 -20.752 5 1HG MET 1 2HG MET 1 -9.591 5.419 -19.067 6 2HG MET 1 1HG MET 1 -8.689 6.819 -18.495 7 1HE MET 1 1HE MET 1 -10.355 5.272 -15.261 8 2HE MET 1 2HE MET 1 -8.833 5.677 -16.056 9 3HE MET 1 3HE MET 1 -9.833 4.366 -16.682 10 H ALA 2 H ALA 2 -9.901 10.636 -18.049 11 HA ALA 2 HA ALA 2 -7.178 11.076 -18.997 12 1HB ALA 2 1HB ALA 2 -8.902 12.727 -17.151 13 2HB ALA 2 2HB ALA 2 -8.651 13.028 -18.871 14 3HB ALA 2 3HB ALA 2 -7.307 13.189 -17.742 15 H SER 3 H SER 3 -8.620 9.220 -16.899 16 HA SER 3 HA SER 3 -6.611 9.424 -14.793 17 1HB SER 3 2HB SER 3 -9.124 7.730 -14.987 18 2HB SER 3 1HB SER 3 -8.110 7.942 -13.555 19 HG SER 3 HG SER 3 -8.584 10.227 -13.788 20 H GLU 4 H GLU 4 -5.097 7.770 -14.603 21 HA GLU 4 HA GLU 4 -5.057 5.904 -16.843 22 1HB GLU 4 2HB GLU 4 -3.107 7.383 -16.539 23 2HB GLU 4 1HB GLU 4 -2.842 6.712 -14.944 24 1HG GLU 4 2HG GLU 4 -2.324 4.557 -15.908 25 2HG GLU 4 1HG GLU 4 -2.686 5.167 -17.524 26 H GLU 5 H GLU 5 -3.626 5.573 -13.640 27 HA GLU 5 HA GLU 5 -3.643 3.951 -12.102 28 1HB GLU 5 2HB GLU 5 -6.575 4.095 -12.761 29 2HB GLU 5 1HB GLU 5 -5.951 3.135 -11.432 30 1HG GLU 5 2HG GLU 5 -6.751 5.232 -10.591 31 2HG GLU 5 1HG GLU 5 -5.004 5.175 -10.435 32 H GLY 6 H GLY 6 -4.981 1.697 -11.629 33 1HA GLY 6 2HA GLY 6 -5.314 -0.498 -12.452 34 2HA GLY 6 1HA GLY 6 -4.637 0.020 -13.985 35 H GLN 7 H GLN 7 -2.844 1.090 -11.346 36 HA GLN 7 HA GLN 7 -1.064 -1.189 -11.339 37 1HB GLN 7 2HB GLN 7 0.866 0.203 -11.832 38 2HB GLN 7 1HB GLN 7 -0.222 0.104 -13.202 39 1HG GLN 7 2HG GLN 7 -1.094 2.341 -12.620 40 2HG GLN 7 1HG GLN 7 0.001 2.398 -11.247 41 1HE2 GLN 7 1HE2 GLN 7 -0.180 4.196 -13.486 42 2HE2 GLN 7 2HE2 GLN 7 1.357 4.165 -14.247 43 H VAL 8 H VAL 8 0.691 -0.770 -9.877 44 HA VAL 8 HA VAL 8 -0.079 0.900 -7.599 45 HB VAL 8 HB VAL 8 -0.194 -1.540 -7.349 46 1HG1 VAL 8 1HG1 VAL 8 2.773 -1.537 -7.751 47 2HG1 VAL 8 2HG1 VAL 8 1.541 -2.346 -8.727 48 3HG1 VAL 8 3HG1 VAL 8 1.858 -2.888 -7.082 49 1HG2 VAL 8 1HG2 VAL 8 0.092 -0.162 -5.393 50 2HG2 VAL 8 2HG2 VAL 8 1.845 -0.202 -5.584 51 3HG2 VAL 8 3HG2 VAL 8 0.957 -1.679 -5.187 52 H ILE 9 H ILE 9 1.638 2.263 -6.669 53 HA ILE 9 HA ILE 9 3.830 2.513 -8.540 54 HB ILE 9 HB ILE 9 2.908 4.408 -6.359 55 1HG1 ILE 9 2HG1 ILE 9 2.555 5.947 -8.346 56 2HG1 ILE 9 1HG1 ILE 9 2.842 4.571 -9.381 57 1HG2 ILE 9 1HG2 ILE 9 4.620 5.981 -7.201 58 2HG2 ILE 9 2HG2 ILE 9 5.234 4.718 -8.265 59 3HG2 ILE 9 3HG2 ILE 9 5.330 4.520 -6.517 60 1HD1 ILE 9 1HD1 ILE 9 0.460 5.014 -9.166 61 2HD1 ILE 9 2HD1 ILE 9 0.571 4.866 -7.416 62 3HD1 ILE 9 3HD1 ILE 9 0.860 3.457 -8.437 63 H ALA 10 H ALA 10 5.633 1.511 -8.138 64 HA ALA 10 HA ALA 10 6.276 0.677 -5.430 65 1HB ALA 10 1HB ALA 10 6.478 -0.953 -7.265 66 2HB ALA 10 2HB ALA 10 8.030 -0.659 -6.481 67 3HB ALA 10 3HB ALA 10 7.679 0.081 -8.040 68 H CYS 11 H CYS 11 7.365 2.068 -4.182 69 HA CYS 11 HA CYS 11 8.934 4.118 -5.454 70 1HB CYS 11 2HB CYS 11 8.303 3.780 -2.542 71 2HB CYS 11 1HB CYS 11 8.878 5.171 -3.397 72 HG CYS 11 HG CYS 11 5.849 3.912 -4.288 73 H HIS 12 H HIS 12 11.037 3.838 -5.617 74 HA HIS 12 HA HIS 12 12.395 2.009 -3.759 75 1HB HIS 12 2HB HIS 12 13.274 3.083 -6.451 76 2HB HIS 12 1HB HIS 12 14.275 2.078 -5.416 77 HD1 HIS 12 1HD HIS 12 14.022 -0.410 -5.678 78 HD2 HIS 12 2HD HIS 12 10.933 1.705 -7.509 79 HE1 HIS 12 1HE HIS 12 12.726 -2.093 -7.000 80 HE2 HIS 12 2HE HIS 12 10.748 -0.856 -7.869 81 H THR 13 H THR 13 11.624 5.157 -3.966 82 HA THR 13 HA THR 13 14.142 6.038 -2.784 83 HB THR 13 HB THR 13 13.895 8.197 -4.040 84 HG1 THR 13 1HG THR 13 12.458 7.149 -6.092 85 1HG2 THR 13 1HG2 THR 13 15.514 6.509 -4.788 86 2HG2 THR 13 2HG2 THR 13 14.816 7.359 -6.168 87 3HG2 THR 13 3HG2 THR 13 14.264 5.737 -5.754 88 H VAL 14 H VAL 14 13.878 7.850 -1.384 89 HA VAL 14 HA VAL 14 11.313 7.907 -0.172 90 HB VAL 14 HB VAL 14 13.380 8.117 1.207 91 1HG1 VAL 14 1HG1 VAL 14 13.671 10.836 -0.012 92 2HG1 VAL 14 2HG1 VAL 14 14.763 9.463 -0.204 93 3HG1 VAL 14 3HG1 VAL 14 14.581 10.237 1.372 94 1HG2 VAL 14 1HG2 VAL 14 11.299 8.863 2.179 95 2HG2 VAL 14 2HG2 VAL 14 11.501 10.460 1.460 96 3HG2 VAL 14 3HG2 VAL 14 12.609 9.917 2.720 97 H GLU 15 H GLU 15 12.920 9.799 -2.697 98 HA GLU 15 HA GLU 15 11.575 12.130 -2.607 99 1HB GLU 15 2HB GLU 15 12.485 10.446 -4.931 100 2HB GLU 15 1HB GLU 15 11.891 12.078 -5.036 101 1HG GLU 15 2HG GLU 15 14.249 12.197 -5.195 102 2HG GLU 15 1HG GLU 15 13.837 12.764 -3.587 103 H THR 16 H THR 16 10.710 9.081 -4.279 104 HA THR 16 HA THR 16 8.239 10.068 -5.249 105 HB THR 16 HB THR 16 9.130 7.188 -4.900 106 HG1 THR 16 1HG THR 16 9.874 9.210 -6.584 107 1HG2 THR 16 1HG2 THR 16 6.703 7.456 -5.325 108 2HG2 THR 16 2HG2 THR 16 7.525 6.721 -6.698 109 3HG2 THR 16 3HG2 THR 16 7.070 8.427 -6.751 110 H TRP 17 H TRP 17 9.187 8.131 -2.457 111 HA TRP 17 HA TRP 17 6.723 7.452 -1.422 112 1HB TRP 17 2HB TRP 17 8.733 6.533 -0.487 113 2HB TRP 17 1HB TRP 17 9.325 8.140 -0.080 114 HD1 TRP 17 HD TRP 17 9.131 8.702 2.380 115 HE1 TRP 17 1HE TRP 17 7.661 7.974 4.337 116 HE3 TRP 17 3HE TRP 17 5.990 5.539 -0.113 117 HZ2 TRP 17 2HZ TRP 17 5.446 6.284 4.785 118 HZ3 TRP 17 3HZ TRP 17 4.215 4.417 1.164 119 HH2 TRP 17 HH TRP 17 3.956 4.786 3.564 120 H ASN 18 H ASN 18 8.625 10.366 -0.683 121 HA ASN 18 HA ASN 18 6.673 11.532 1.004 122 1HB ASN 18 2HB ASN 18 9.075 12.175 0.987 123 2HB ASN 18 1HB ASN 18 8.839 12.925 -0.578 124 1HD2 ASN 18 1HD2 ASN 18 9.396 14.966 0.161 125 2HD2 ASN 18 2HD2 ASN 18 8.379 15.898 1.192 126 H GLU 19 H GLU 19 7.410 11.866 -2.403 127 HA GLU 19 HA GLU 19 5.743 13.993 -3.089 128 1HB GLU 19 2HB GLU 19 7.419 13.094 -4.616 129 2HB GLU 19 1HB GLU 19 6.509 11.600 -4.763 130 1HG GLU 19 2HG GLU 19 4.674 12.813 -5.804 131 2HG GLU 19 1HG GLU 19 5.580 14.317 -5.663 132 H GLN 20 H GLN 20 4.980 10.460 -3.123 133 HA GLN 20 HA GLN 20 2.441 10.773 -4.107 134 1HB GLN 20 2HB GLN 20 3.863 8.698 -2.626 135 2HB GLN 20 1HB GLN 20 2.204 8.465 -3.151 136 1HG GLN 20 2HG GLN 20 4.585 9.010 -4.933 137 2HG GLN 20 1HG GLN 20 3.855 7.430 -4.686 138 1HE2 GLN 20 1HE2 GLN 20 3.372 7.174 -6.824 139 2HE2 GLN 20 2HE2 GLN 20 2.132 8.049 -7.644 140 H LEU 21 H LEU 21 3.644 10.547 -0.680 141 HA LEU 21 HA LEU 21 1.122 10.392 0.418 142 1HB LEU 21 2HB LEU 21 3.742 11.337 1.323 143 2HB LEU 21 1HB LEU 21 2.383 11.183 2.388 144 HG LEU 21 HG LEU 21 3.895 8.978 0.974 145 1HD1 LEU 21 1HD1 LEU 21 4.447 8.249 3.227 146 2HD1 LEU 21 2HD1 LEU 21 3.552 9.617 3.890 147 3HD1 LEU 21 3HD1 LEU 21 5.001 9.896 2.926 148 1HD2 LEU 21 1HD2 LEU 21 1.507 8.405 1.008 149 2HD2 LEU 21 2HD2 LEU 21 1.454 8.738 2.740 150 3HD2 LEU 21 3HD2 LEU 21 2.414 7.392 2.133 151 H GLN 22 H GLN 22 3.296 13.055 -0.235 152 HA GLN 22 HA GLN 22 1.717 15.046 0.879 153 1HB GLN 22 2HB GLN 22 4.037 15.416 0.253 154 2HB GLN 22 1HB GLN 22 3.637 15.188 -1.442 155 1HG GLN 22 2HG GLN 22 2.300 17.201 -1.428 156 2HG GLN 22 1HG GLN 22 2.597 17.412 0.296 157 1HE2 GLN 22 1HE2 GLN 22 3.971 17.552 -2.871 158 2HE2 GLN 22 2HE2 GLN 22 5.396 18.429 -2.424 159 H LYS 23 H LYS 23 1.769 13.651 -2.354 160 HA LYS 23 HA LYS 23 -0.192 15.330 -3.467 161 1HB LYS 23 2HB LYS 23 1.278 14.025 -4.895 162 2HB LYS 23 1HB LYS 23 0.650 12.530 -4.229 163 1HG LYS 23 2HG LYS 23 -1.506 12.938 -5.241 164 2HG LYS 23 1HG LYS 23 -0.962 14.511 -5.830 165 1HD LYS 23 2HD LYS 23 0.698 13.432 -7.238 166 2HD LYS 23 1HD LYS 23 0.238 11.852 -6.592 167 1HE LYS 23 2HE LYS 23 -1.954 12.050 -7.553 168 2HE LYS 23 1HE LYS 23 -1.618 13.695 -8.091 169 1HZ LYS 23 1HZ LYS 23 -0.152 11.280 -9.071 170 2HZ LYS 23 2HZ LYS 23 -0.021 12.869 -9.643 171 3HZ LYS 23 3HZ LYS 23 -1.434 12.027 -9.856 172 H ALA 24 H ALA 24 -0.437 12.184 -1.778 173 HA ALA 24 HA ALA 24 -3.200 11.896 -2.235 174 1HB ALA 24 1HB ALA 24 -3.102 10.188 -0.490 175 2HB ALA 24 2HB ALA 24 -1.500 10.752 -0.018 176 3HB ALA 24 3HB ALA 24 -1.745 10.025 -1.606 177 H ASN 25 H ASN 25 -1.330 13.398 0.298 178 HA ASN 25 HA ASN 25 -3.405 13.934 2.160 179 1HB ASN 25 2HB ASN 25 -0.895 14.103 2.502 180 2HB ASN 25 1HB ASN 25 -0.958 15.566 1.592 181 1HD2 ASN 25 1HD2 ASN 25 -0.235 16.827 3.266 182 2HD2 ASN 25 2HD2 ASN 25 -1.231 17.237 4.621 183 H GLU 26 H GLU 26 -1.789 15.924 -0.167 184 HA GLU 26 HA GLU 26 -3.300 18.275 0.099 185 1HB GLU 26 2HB GLU 26 -1.089 18.255 -0.895 186 2HB GLU 26 1HB GLU 26 -1.669 17.297 -2.237 187 1HG GLU 26 2HG GLU 26 -3.044 19.152 -2.992 188 2HG GLU 26 1HG GLU 26 -2.535 20.110 -1.601 189 H SER 27 H SER 27 -3.808 15.514 -2.073 190 HA SER 27 HA SER 27 -6.003 16.908 -3.338 191 1HB SER 27 2HB SER 27 -4.867 14.177 -3.828 192 2HB SER 27 1HB SER 27 -5.990 15.049 -4.869 193 HG SER 27 HG SER 27 -3.287 15.514 -4.339 194 H LYS 28 H LYS 28 -5.635 15.220 -0.540 195 HA LYS 28 HA LYS 28 -6.908 14.032 0.861 196 1HB LYS 28 2HB LYS 28 -9.077 15.269 -0.742 197 2HB LYS 28 1HB LYS 28 -9.385 14.464 0.795 198 1HG LYS 28 2HG LYS 28 -7.815 16.134 1.856 199 2HG LYS 28 1HG LYS 28 -7.776 16.977 0.310 200 1HD LYS 28 2HD LYS 28 -10.203 17.313 0.446 201 2HD LYS 28 1HD LYS 28 -10.227 16.482 2.004 202 1HE LYS 28 2HE LYS 28 -8.681 18.206 2.899 203 2HE LYS 28 1HE LYS 28 -8.769 19.035 1.349 204 1HZ LYS 28 1HZ LYS 28 -11.069 18.585 3.183 205 2HZ LYS 28 2HZ LYS 28 -11.137 19.378 1.695 206 3HZ LYS 28 3HZ LYS 28 -10.254 20.032 2.944 207 H THR 29 H THR 29 -5.901 12.687 -1.256 208 HA THR 29 HA THR 29 -7.868 10.954 -2.429 209 HB THR 29 HB THR 29 -4.912 10.659 -2.447 210 HG1 THR 29 1HG THR 29 -6.644 12.234 -4.114 211 1HG2 THR 29 1HG2 THR 29 -7.028 9.857 -4.455 212 2HG2 THR 29 2HG2 THR 29 -6.152 8.779 -3.368 213 3HG2 THR 29 3HG2 THR 29 -5.293 9.607 -4.666 214 H LEU 30 H LEU 30 -8.039 8.890 -1.959 215 HA LEU 30 HA LEU 30 -7.369 8.015 0.660 216 1HB LEU 30 2HB LEU 30 -9.566 7.512 -0.224 217 2HB LEU 30 1HB LEU 30 -8.893 6.736 -1.629 218 HG LEU 30 HG LEU 30 -8.204 4.813 -0.245 219 1HD1 LEU 30 1HD1 LEU 30 -8.984 4.651 2.051 220 2HD1 LEU 30 2HD1 LEU 30 -9.502 6.343 1.987 221 3HD1 LEU 30 3HD1 LEU 30 -7.791 5.920 1.823 222 1HD2 LEU 30 1HD2 LEU 30 -10.428 4.810 -1.272 223 2HD2 LEU 30 2HD2 LEU 30 -11.066 5.622 0.141 224 3HD2 LEU 30 3HD2 LEU 30 -10.429 3.990 0.290 225 H VAL 31 H VAL 31 -5.520 6.621 1.078 226 HA VAL 31 HA VAL 31 -4.155 5.603 -1.269 227 HB VAL 31 HB VAL 31 -3.156 7.736 -0.660 228 1HG1 VAL 31 1HG1 VAL 31 -2.633 6.546 2.031 229 2HG1 VAL 31 2HG1 VAL 31 -3.756 7.858 1.662 230 3HG1 VAL 31 3HG1 VAL 31 -2.017 8.100 1.466 231 1HG2 VAL 31 1HG2 VAL 31 -1.653 6.055 -1.551 232 2HG2 VAL 31 2HG2 VAL 31 -1.374 5.416 0.069 233 3HG2 VAL 31 3HG2 VAL 31 -0.813 7.037 -0.348 234 H VAL 32 H VAL 32 -3.077 3.690 -1.005 235 HA VAL 32 HA VAL 32 -3.152 2.467 1.657 236 HB VAL 32 HB VAL 32 -3.633 1.089 -0.956 237 1HG1 VAL 32 1HG1 VAL 32 -2.407 -0.353 0.603 238 2HG1 VAL 32 2HG1 VAL 32 -4.059 -0.945 0.423 239 3HG1 VAL 32 3HG1 VAL 32 -3.601 -0.034 1.860 240 1HG2 VAL 32 1HG2 VAL 32 -5.524 1.596 1.338 241 2HG2 VAL 32 2HG2 VAL 32 -5.900 0.608 -0.073 242 3HG2 VAL 32 3HG2 VAL 32 -5.589 2.334 -0.262 243 H VAL 33 H VAL 33 -1.247 1.803 2.345 244 HA VAL 33 HA VAL 33 0.915 1.749 0.370 245 HB VAL 33 HB VAL 33 1.119 2.381 3.321 246 1HG1 VAL 33 1HG1 VAL 33 3.447 2.961 2.818 247 2HG1 VAL 33 2HG1 VAL 33 3.213 2.438 1.152 248 3HG1 VAL 33 3HG1 VAL 33 3.111 1.269 2.465 249 1HG2 VAL 33 1HG2 VAL 33 1.372 4.196 0.915 250 2HG2 VAL 33 2HG2 VAL 33 1.659 4.669 2.589 251 3HG2 VAL 33 3HG2 VAL 33 0.042 4.187 2.071 252 H ASP 34 H ASP 34 1.983 -0.029 0.087 253 HA ASP 34 HA ASP 34 1.620 -2.350 1.836 254 1HB ASP 34 2HB ASP 34 0.986 -2.721 -0.439 255 2HB ASP 34 1HB ASP 34 2.423 -1.922 -1.037 256 H PHE 35 H PHE 35 3.353 -2.569 3.303 257 HA PHE 35 HA PHE 35 6.010 -1.834 2.342 258 1HB PHE 35 2HB PHE 35 4.957 -2.562 5.078 259 2HB PHE 35 1HB PHE 35 6.618 -2.162 4.706 260 HD1 PHE 35 1HD PHE 35 3.304 -0.909 5.434 261 HD2 PHE 35 2HD PHE 35 7.192 0.195 4.097 262 HE1 PHE 35 1HE PHE 35 2.802 1.441 5.932 263 HE2 PHE 35 2HE PHE 35 6.695 2.553 4.593 264 HZ PHE 35 HZ PHE 35 4.499 3.180 5.517 265 H THR 36 H THR 36 7.100 -3.538 1.510 266 HA THR 36 HA THR 36 6.675 -6.213 2.616 267 HB THR 36 HB THR 36 6.325 -5.444 -0.227 268 HG1 THR 36 1HG THR 36 4.322 -5.154 0.518 269 1HG2 THR 36 1HG2 THR 36 6.047 -8.115 1.054 270 2HG2 THR 36 2HG2 THR 36 7.355 -7.632 -0.044 271 3HG2 THR 36 3HG2 THR 36 5.693 -7.794 -0.648 272 H ALA 37 H ALA 37 8.383 -7.670 2.077 273 HA ALA 37 HA ALA 37 10.779 -6.415 0.938 274 1HB ALA 37 1HB ALA 37 11.071 -7.129 3.267 275 2HB ALA 37 2HB ALA 37 12.071 -8.097 2.187 276 3HB ALA 37 3HB ALA 37 10.569 -8.760 2.832 277 H SER 38 H SER 38 11.471 -7.215 -0.934 278 HA SER 38 HA SER 38 9.971 -9.101 -2.361 279 1HB SER 38 2HB SER 38 12.736 -8.039 -2.942 280 2HB SER 38 1HB SER 38 11.697 -8.893 -4.084 281 HG SER 38 HG SER 38 11.198 -6.423 -2.796 282 H TRP 39 H TRP 39 12.465 -9.683 -0.085 283 HA TRP 39 HA TRP 39 13.224 -12.178 -1.319 284 1HB TRP 39 2HB TRP 39 14.847 -12.392 0.615 285 2HB TRP 39 1HB TRP 39 15.070 -11.017 -0.443 286 HD1 TRP 39 HD TRP 39 15.081 -8.750 0.615 287 HE1 TRP 39 1HE TRP 39 14.845 -7.812 3.007 288 HE3 TRP 39 3HE TRP 39 13.428 -12.965 2.947 289 HZ2 TRP 39 2HZ TRP 39 14.047 -8.752 5.540 290 HZ3 TRP 39 3HZ TRP 39 12.949 -12.869 5.362 291 HH2 TRP 39 HH TRP 39 13.251 -10.796 6.628 292 H CYS 40 H CYS 40 10.719 -11.368 0.730 293 HA CYS 40 HA CYS 40 10.845 -14.014 1.907 294 1HB CYS 40 2HB CYS 40 8.875 -13.160 3.383 295 2HB CYS 40 1HB CYS 40 10.505 -12.611 3.729 296 H GLY 41 H GLY 41 9.380 -15.606 1.725 297 1HA GLY 41 2HA GLY 41 8.276 -15.957 -0.788 298 2HA GLY 41 1HA GLY 41 7.936 -16.951 0.611 299 HA PRO 42 HA PRO 42 3.725 -15.484 0.948 300 1HB PRO 42 2HB PRO 42 3.572 -13.897 3.231 301 2HB PRO 42 1HB PRO 42 3.465 -15.661 3.226 302 1HG PRO 42 2HG PRO 42 5.814 -13.902 3.799 303 2HG PRO 42 1HG PRO 42 5.314 -15.397 4.607 304 1HD PRO 42 2HD PRO 42 7.330 -15.390 2.860 305 2HD PRO 42 1HD PRO 42 6.177 -16.743 2.918 306 H CYS 43 H CYS 43 6.134 -13.086 1.474 307 HA CYS 43 HA CYS 43 4.656 -10.732 0.958 308 1HB CYS 43 2HB CYS 43 7.567 -11.322 0.526 309 2HB CYS 43 1HB CYS 43 6.886 -9.731 0.761 310 H ARG 44 H ARG 44 6.857 -12.707 -0.999 311 HA ARG 44 HA ARG 44 6.553 -11.280 -3.397 312 1HB ARG 44 2HB ARG 44 8.464 -12.726 -2.919 313 2HB ARG 44 1HB ARG 44 7.411 -14.125 -2.865 314 1HG ARG 44 2HG ARG 44 6.951 -13.909 -5.216 315 2HG ARG 44 1HG ARG 44 7.914 -12.433 -5.303 316 1HD ARG 44 2HD ARG 44 8.929 -15.163 -4.526 317 2HD ARG 44 1HD ARG 44 9.167 -14.403 -6.101 318 HE ARG 44 HE ARG 44 10.164 -12.592 -4.403 319 1HH1 ARG 44 1HH1 ARG 44 10.787 -16.073 -4.774 320 2HH1 ARG 44 2HH1 ARG 44 12.414 -15.977 -4.249 321 1HH2 ARG 44 1HH2 ARG 44 12.387 -12.483 -3.689 322 2HH2 ARG 44 2HH2 ARG 44 13.351 -13.889 -3.644 323 H PHE 45 H PHE 45 4.773 -13.864 -1.921 324 HA PHE 45 HA PHE 45 3.223 -14.547 -4.229 325 1HB PHE 45 2HB PHE 45 3.589 -16.200 -2.476 326 2HB PHE 45 1HB PHE 45 2.807 -15.159 -1.297 327 HD1 PHE 45 1HD PHE 45 0.478 -15.236 -0.980 328 HD2 PHE 45 2HD PHE 45 2.211 -17.142 -4.369 329 HE1 PHE 45 1HE PHE 45 -1.681 -16.285 -1.484 330 HE2 PHE 45 2HE PHE 45 0.048 -18.199 -4.879 331 HZ PHE 45 HZ PHE 45 -1.900 -17.770 -3.436 332 H ILE 46 H ILE 46 2.846 -12.257 -1.605 333 HA ILE 46 HA ILE 46 0.055 -11.889 -2.250 334 HB ILE 46 HB ILE 46 0.981 -11.828 0.133 335 1HG1 ILE 46 2HG1 ILE 46 -0.483 -9.952 0.864 336 2HG1 ILE 46 1HG1 ILE 46 -0.664 -9.485 -0.831 337 1HG2 ILE 46 1HG2 ILE 46 2.937 -10.453 -0.271 338 2HG2 ILE 46 2HG2 ILE 46 1.897 -9.739 0.959 339 3HG2 ILE 46 3HG2 ILE 46 1.907 -9.078 -0.677 340 1HD1 ILE 46 1HD1 ILE 46 -1.693 -11.631 -1.304 341 2HD1 ILE 46 2HD1 ILE 46 -2.550 -10.803 0.011 342 3HD1 ILE 46 3HD1 ILE 46 -1.413 -12.112 0.367 343 H ALA 47 H ALA 47 3.049 -10.549 -3.140 344 HA ALA 47 HA ALA 47 2.409 -7.911 -3.661 345 1HB ALA 47 1HB ALA 47 4.403 -9.549 -5.245 346 2HB ALA 47 2HB ALA 47 4.717 -8.784 -3.694 347 3HB ALA 47 3HB ALA 47 4.347 -7.796 -5.101 348 HA PRO 48 HA PRO 48 1.068 -9.028 -8.238 349 1HB PRO 48 2HB PRO 48 0.119 -11.813 -7.843 350 2HB PRO 48 1HB PRO 48 0.970 -11.110 -9.220 351 1HG PRO 48 2HG PRO 48 2.244 -12.743 -7.578 352 2HG PRO 48 1HG PRO 48 3.049 -11.281 -8.181 353 1HD PRO 48 2HD PRO 48 1.755 -11.765 -5.525 354 2HD PRO 48 1HD PRO 48 3.314 -10.998 -5.886 355 H PHE 49 H PHE 49 -0.406 -10.413 -5.403 356 HA PHE 49 HA PHE 49 -3.087 -10.127 -6.349 357 1HB PHE 49 2HB PHE 49 -2.506 -11.820 -4.630 358 2HB PHE 49 1HB PHE 49 -2.117 -10.526 -3.503 359 HD1 PHE 49 1HD PHE 49 -3.795 -9.597 -2.147 360 HD2 PHE 49 2HD PHE 49 -4.869 -11.941 -5.525 361 HE1 PHE 49 1HE PHE 49 -6.161 -9.534 -1.435 362 HE2 PHE 49 2HE PHE 49 -7.224 -11.889 -4.824 363 HZ PHE 49 HZ PHE 49 -7.870 -10.690 -2.787 364 H PHE 50 H PHE 50 -0.968 -8.258 -4.222 365 HA PHE 50 HA PHE 50 -2.873 -6.230 -3.630 366 1HB PHE 50 2HB PHE 50 -0.759 -6.615 -2.326 367 2HB PHE 50 1HB PHE 50 0.155 -5.997 -3.694 368 HD1 PHE 50 1HD PHE 50 0.287 -3.633 -4.125 369 HD2 PHE 50 2HD PHE 50 -2.175 -5.131 -0.996 370 HE1 PHE 50 1HE PHE 50 0.051 -1.359 -3.226 371 HE2 PHE 50 2HE PHE 50 -2.418 -2.854 -0.094 372 HZ PHE 50 HZ PHE 50 -1.298 -0.965 -1.213 373 H ALA 51 H ALA 51 -0.635 -6.724 -6.255 374 HA ALA 51 HA ALA 51 -0.968 -4.223 -7.508 375 1HB ALA 51 1HB ALA 51 0.818 -5.792 -8.123 376 2HB ALA 51 2HB ALA 51 -0.133 -5.319 -9.533 377 3HB ALA 51 3HB ALA 51 -0.386 -6.896 -8.783 378 H ASP 52 H ASP 52 -2.900 -7.140 -7.522 379 HA ASP 52 HA ASP 52 -4.669 -6.364 -9.648 380 1HB ASP 52 2HB ASP 52 -4.446 -8.716 -8.766 381 2HB ASP 52 1HB ASP 52 -5.261 -8.181 -7.332 382 H LEU 53 H LEU 53 -4.782 -6.258 -6.171 383 HA LEU 53 HA LEU 53 -7.175 -5.010 -5.721 384 1HB LEU 53 2HB LEU 53 -4.538 -4.762 -4.318 385 2HB LEU 53 1HB LEU 53 -6.032 -4.193 -3.655 386 HG LEU 53 HG LEU 53 -5.299 -7.034 -4.233 387 1HD1 LEU 53 1HD1 LEU 53 -5.756 -5.574 -1.640 388 2HD1 LEU 53 2HD1 LEU 53 -4.192 -6.073 -2.256 389 3HD1 LEU 53 3HD1 LEU 53 -5.389 -7.285 -1.797 390 1HD2 LEU 53 1HD2 LEU 53 -7.830 -5.896 -3.062 391 2HD2 LEU 53 2HD2 LEU 53 -7.408 -7.603 -3.096 392 3HD2 LEU 53 3HD2 LEU 53 -7.683 -6.734 -4.612 393 H ALA 54 H ALA 54 -4.041 -3.610 -6.524 394 HA ALA 54 HA ALA 54 -4.712 -0.897 -6.281 395 1HB ALA 54 1HB ALA 54 -2.406 -1.713 -6.420 396 2HB ALA 54 2HB ALA 54 -2.726 -0.462 -7.620 397 3HB ALA 54 3HB ALA 54 -2.667 -2.155 -8.109 398 H LYS 55 H LYS 55 -5.035 -3.133 -8.926 399 HA LYS 55 HA LYS 55 -5.985 -1.139 -10.768 400 1HB LYS 55 2HB LYS 55 -4.712 -3.077 -11.562 401 2HB LYS 55 1HB LYS 55 -5.909 -4.156 -10.884 402 1HG LYS 55 2HG LYS 55 -6.587 -2.217 -13.088 403 2HG LYS 55 1HG LYS 55 -5.864 -3.776 -13.428 404 1HD LYS 55 2HD LYS 55 -8.456 -3.434 -11.890 405 2HD LYS 55 1HD LYS 55 -8.409 -3.622 -13.636 406 1HE LYS 55 2HE LYS 55 -8.932 -5.759 -12.565 407 2HE LYS 55 1HE LYS 55 -7.364 -5.854 -13.350 408 1HZ LYS 55 1HZ LYS 55 -7.793 -5.466 -10.420 409 2HZ LYS 55 2HZ LYS 55 -6.294 -5.722 -11.207 410 3HZ LYS 55 3HZ LYS 55 -7.408 -6.912 -11.153 411 H LYS 56 H LYS 56 -7.306 -3.283 -8.441 412 HA LYS 56 HA LYS 56 -9.962 -3.429 -9.369 413 1HB LYS 56 2HB LYS 56 -8.878 -5.021 -7.746 414 2HB LYS 56 1HB LYS 56 -8.880 -3.753 -6.547 415 1HG LYS 56 2HG LYS 56 -11.389 -4.933 -7.755 416 2HG LYS 56 1HG LYS 56 -10.645 -5.515 -6.280 417 1HD LYS 56 2HD LYS 56 -11.027 -3.382 -5.205 418 2HD LYS 56 1HD LYS 56 -11.647 -2.697 -6.709 419 1HE LYS 56 2HE LYS 56 -12.857 -4.947 -5.112 420 2HE LYS 56 1HE LYS 56 -13.454 -3.292 -5.205 421 1HZ LYS 56 1HZ LYS 56 -13.799 -3.627 -7.610 422 2HZ LYS 56 2HZ LYS 56 -14.710 -4.682 -6.672 423 3HZ LYS 56 3HZ LYS 56 -13.342 -5.249 -7.439 424 H LEU 57 H LEU 57 -8.283 -1.201 -7.128 425 HA LEU 57 HA LEU 57 -10.695 0.381 -7.124 426 1HB LEU 57 2HB LEU 57 -8.480 0.151 -5.142 427 2HB LEU 57 1HB LEU 57 -9.643 1.461 -5.105 428 HG LEU 57 HG LEU 57 -10.369 -1.437 -4.991 429 1HD1 LEU 57 1HD1 LEU 57 -10.798 -1.047 -2.566 430 2HD1 LEU 57 2HD1 LEU 57 -10.159 0.585 -2.729 431 3HD1 LEU 57 3HD1 LEU 57 -9.100 -0.810 -2.960 432 1HD2 LEU 57 1HD2 LEU 57 -12.538 -0.593 -4.178 433 2HD2 LEU 57 2HD2 LEU 57 -12.163 -0.075 -5.815 434 3HD2 LEU 57 3HD2 LEU 57 -11.978 1.052 -4.466 435 HA PRO 58 HA PRO 58 -8.076 2.853 -9.817 436 1HB PRO 58 2HB PRO 58 -10.094 4.208 -10.981 437 2HB PRO 58 1HB PRO 58 -9.702 2.539 -11.414 438 1HG PRO 58 2HG PRO 58 -11.830 3.559 -9.564 439 2HG PRO 58 1HG PRO 58 -11.958 2.317 -10.824 440 1HD PRO 58 2HD PRO 58 -11.652 1.649 -8.200 441 2HD PRO 58 1HD PRO 58 -10.950 0.709 -9.523 442 H ASN 59 H ASN 59 -10.434 4.020 -7.451 443 HA ASN 59 HA ASN 59 -9.378 6.731 -7.795 444 1HB ASN 59 2HB ASN 59 -11.866 6.350 -7.619 445 2HB ASN 59 1HB ASN 59 -11.578 5.802 -5.972 446 1HD2 ASN 59 1HD2 ASN 59 -9.869 8.543 -7.440 447 2HD2 ASN 59 2HD2 ASN 59 -10.605 9.725 -6.427 448 H VAL 60 H VAL 60 -8.343 4.144 -6.305 449 HA VAL 60 HA VAL 60 -7.461 5.554 -3.900 450 HB VAL 60 HB VAL 60 -7.575 2.558 -4.374 451 1HG1 VAL 60 1HG1 VAL 60 -6.985 4.132 -1.870 452 2HG1 VAL 60 2HG1 VAL 60 -5.829 3.193 -2.810 453 3HG1 VAL 60 3HG1 VAL 60 -7.145 2.378 -1.965 454 1HG2 VAL 60 1HG2 VAL 60 -9.384 4.334 -2.778 455 2HG2 VAL 60 2HG2 VAL 60 -9.449 2.571 -2.759 456 3HG2 VAL 60 3HG2 VAL 60 -9.823 3.462 -4.240 457 H LEU 61 H LEU 61 -5.293 5.775 -3.619 458 HA LEU 61 HA LEU 61 -3.639 4.970 -5.902 459 1HB LEU 61 2HB LEU 61 -3.882 7.404 -4.975 460 2HB LEU 61 1HB LEU 61 -2.868 6.860 -3.665 461 HG LEU 61 HG LEU 61 -2.089 7.034 -6.586 462 1HD1 LEU 61 1HD1 LEU 61 -0.598 8.824 -5.854 463 2HD1 LEU 61 2HD1 LEU 61 -1.272 8.700 -4.228 464 3HD1 LEU 61 3HD1 LEU 61 -2.300 9.198 -5.573 465 1HD2 LEU 61 1HD2 LEU 61 -0.889 5.200 -5.505 466 2HD2 LEU 61 2HD2 LEU 61 -0.419 6.284 -4.197 467 3HD2 LEU 61 3HD2 LEU 61 0.203 6.552 -5.830 468 H PHE 62 H PHE 62 -2.325 3.251 -5.620 469 HA PHE 62 HA PHE 62 -1.770 2.303 -2.880 470 1HB PHE 62 2HB PHE 62 -1.837 0.719 -5.430 471 2HB PHE 62 1HB PHE 62 -1.468 0.089 -3.851 472 HD1 PHE 62 1HD PHE 62 -4.206 1.612 -5.832 473 HD2 PHE 62 2HD PHE 62 -3.136 -0.669 -2.413 474 HE1 PHE 62 1HE PHE 62 -6.561 1.054 -5.473 475 HE2 PHE 62 2HE PHE 62 -5.496 -1.224 -2.036 476 HZ PHE 62 HZ PHE 62 -7.214 -0.371 -3.564 477 H LEU 63 H LEU 63 0.287 1.688 -2.356 478 HA LEU 63 HA LEU 63 2.374 2.134 -4.365 479 1HB LEU 63 2HB LEU 63 2.490 3.006 -1.493 480 2HB LEU 63 1HB LEU 63 3.827 3.009 -2.606 481 HG LEU 63 HG LEU 63 2.439 4.634 -3.993 482 1HD1 LEU 63 1HD1 LEU 63 0.837 6.000 -2.684 483 2HD1 LEU 63 2HD1 LEU 63 0.950 4.825 -1.374 484 3HD1 LEU 63 3HD1 LEU 63 0.292 4.344 -2.937 485 1HD2 LEU 63 1HD2 LEU 63 4.414 5.296 -2.772 486 2HD2 LEU 63 2HD2 LEU 63 3.474 5.467 -1.289 487 3HD2 LEU 63 3HD2 LEU 63 3.183 6.550 -2.649 488 H LYS 64 H LYS 64 4.101 0.730 -4.340 489 HA LYS 64 HA LYS 64 4.085 -1.396 -2.376 490 1HB LYS 64 2HB LYS 64 5.205 -1.049 -5.135 491 2HB LYS 64 1HB LYS 64 5.754 -2.319 -4.076 492 1HG LYS 64 2HG LYS 64 2.926 -1.917 -5.041 493 2HG LYS 64 1HG LYS 64 4.072 -3.045 -5.755 494 1HD LYS 64 2HD LYS 64 3.090 -3.158 -2.889 495 2HD LYS 64 1HD LYS 64 2.459 -4.132 -4.214 496 1HE LYS 64 2HE LYS 64 4.613 -5.197 -4.517 497 2HE LYS 64 1HE LYS 64 5.332 -4.163 -3.283 498 1HZ LYS 64 1HZ LYS 64 3.163 -6.151 -2.746 499 2HZ LYS 64 2HZ LYS 64 3.919 -5.136 -1.648 500 3HZ LYS 64 3HZ LYS 64 4.821 -6.340 -2.409 501 H VAL 65 H VAL 65 5.455 -0.992 -0.765 502 HA VAL 65 HA VAL 65 7.893 0.514 -1.350 503 HB VAL 65 HB VAL 65 6.382 0.187 1.264 504 1HG1 VAL 65 1HG1 VAL 65 8.781 0.289 1.669 505 2HG1 VAL 65 2HG1 VAL 65 8.008 1.785 2.198 506 3HG1 VAL 65 3HG1 VAL 65 8.905 1.741 0.681 507 1HG2 VAL 65 1HG2 VAL 65 5.279 1.724 -0.270 508 2HG2 VAL 65 2HG2 VAL 65 6.784 2.615 -0.484 509 3HG2 VAL 65 3HG2 VAL 65 5.983 2.601 1.088 510 H ASP 66 H ASP 66 9.609 -0.758 -1.429 511 HA ASP 66 HA ASP 66 9.471 -3.336 -0.117 512 1HB ASP 66 2HB ASP 66 10.372 -3.189 -2.427 513 2HB ASP 66 1HB ASP 66 11.672 -2.199 -1.770 514 H THR 67 H THR 67 10.473 -3.799 1.684 515 HA THR 67 HA THR 67 11.329 -1.594 3.227 516 HB THR 67 HB THR 67 11.549 -3.300 5.062 517 HG1 THR 67 1HG THR 67 10.881 -5.420 4.543 518 1HG2 THR 67 1HG2 THR 67 8.969 -3.362 3.473 519 2HG2 THR 67 2HG2 THR 67 9.413 -2.128 4.654 520 3HG2 THR 67 3HG2 THR 67 9.140 -3.789 5.175 521 H ASP 68 H ASP 68 13.131 -3.801 1.311 522 HA ASP 68 HA ASP 68 15.560 -3.299 2.818 523 1HB ASP 68 2HB ASP 68 15.271 -5.424 1.545 524 2HB ASP 68 1HB ASP 68 15.217 -4.480 0.069 525 H GLU 69 H GLU 69 14.080 -2.409 -0.220 526 HA GLU 69 HA GLU 69 15.877 -0.595 -1.219 527 1HB GLU 69 2HB GLU 69 12.894 -0.708 -1.294 528 2HB GLU 69 1HB GLU 69 13.848 0.367 -2.270 529 1HG GLU 69 2HG GLU 69 13.966 -2.652 -2.362 530 2HG GLU 69 1HG GLU 69 13.109 -1.637 -3.517 531 H LEU 70 H LEU 70 12.878 0.102 0.716 532 HA LEU 70 HA LEU 70 14.145 2.523 1.504 533 1HB LEU 70 2HB LEU 70 11.297 1.663 1.287 534 2HB LEU 70 1HB LEU 70 11.812 3.104 2.127 535 HG LEU 70 HG LEU 70 12.175 2.541 -0.830 536 1HD1 LEU 70 1HD1 LEU 70 10.350 4.475 0.583 537 2HD1 LEU 70 2HD1 LEU 70 9.875 3.046 -0.353 538 3HD1 LEU 70 3HD1 LEU 70 10.629 4.414 -1.151 539 1HD2 LEU 70 1HD2 LEU 70 14.032 3.872 0.015 540 2HD2 LEU 70 2HD2 LEU 70 12.902 4.982 0.785 541 3HD2 LEU 70 3HD2 LEU 70 12.962 4.867 -0.972 542 H LYS 71 H LYS 71 15.379 1.112 2.842 543 HA LYS 71 HA LYS 71 14.227 -0.356 4.965 544 1HB LYS 71 2HB LYS 71 16.541 -0.495 5.846 545 2HB LYS 71 1HB LYS 71 16.419 -0.920 4.151 546 1HG LYS 71 2HG LYS 71 17.308 1.161 3.469 547 2HG LYS 71 1HG LYS 71 17.310 1.789 5.122 548 1HD LYS 71 2HD LYS 71 19.547 1.132 4.461 549 2HD LYS 71 1HD LYS 71 18.964 0.039 5.714 550 1HE LYS 71 2HE LYS 71 18.436 -1.628 4.024 551 2HE LYS 71 1HE LYS 71 18.954 -0.533 2.746 552 1HZ LYS 71 1HZ LYS 71 20.672 -1.676 4.882 553 2HZ LYS 71 2HZ LYS 71 21.162 -0.537 3.739 554 3HZ LYS 71 3HZ LYS 71 20.699 -2.067 3.229 555 H SER 72 H SER 72 15.254 2.959 4.601 556 HA SER 72 HA SER 72 15.270 3.588 7.350 557 1HB SER 72 2HB SER 72 15.208 5.931 6.422 558 2HB SER 72 1HB SER 72 16.518 4.918 5.803 559 HG SER 72 HG SER 72 14.899 6.220 4.366 560 H VAL 73 H VAL 73 12.935 3.929 4.761 561 HA VAL 73 HA VAL 73 10.886 5.176 6.236 562 HB VAL 73 HB VAL 73 10.638 3.358 3.818 563 1HG1 VAL 73 1HG1 VAL 73 8.689 5.383 4.915 564 2HG1 VAL 73 2HG1 VAL 73 8.508 3.637 4.973 565 3HG1 VAL 73 3HG1 VAL 73 8.496 4.473 3.417 566 1HG2 VAL 73 1HG2 VAL 73 10.870 6.364 3.998 567 2HG2 VAL 73 2HG2 VAL 73 10.580 5.448 2.520 568 3HG2 VAL 73 3HG2 VAL 73 12.102 5.255 3.394 569 H ALA 74 H ALA 74 11.561 1.798 5.527 570 HA ALA 74 HA ALA 74 9.345 0.674 6.806 571 1HB ALA 74 1HB ALA 74 10.613 -1.398 6.785 572 2HB ALA 74 2HB ALA 74 12.088 -0.492 6.437 573 3HB ALA 74 3HB ALA 74 10.785 -0.538 5.253 574 H SER 75 H SER 75 12.524 1.610 8.055 575 HA SER 75 HA SER 75 12.024 0.481 10.618 576 1HB SER 75 2HB SER 75 14.319 0.797 9.674 577 2HB SER 75 1HB SER 75 14.094 2.541 9.797 578 HG SER 75 HG SER 75 14.695 2.389 11.782 579 H ASP 76 H ASP 76 11.634 3.641 9.118 580 HA ASP 76 HA ASP 76 11.190 5.171 11.457 581 1HB ASP 76 2HB ASP 76 11.803 6.137 9.274 582 2HB ASP 76 1HB ASP 76 10.245 5.651 8.624 583 H TRP 77 H TRP 77 8.997 3.402 9.329 584 HA TRP 77 HA TRP 77 6.745 4.262 10.878 585 1HB TRP 77 2HB TRP 77 6.977 2.584 8.429 586 2HB TRP 77 1HB TRP 77 5.428 2.820 9.237 587 HD1 TRP 77 HD TRP 77 8.143 4.828 7.349 588 HE1 TRP 77 1HE TRP 77 7.056 6.978 6.420 589 HE3 TRP 77 3HE TRP 77 3.507 4.388 9.452 590 HZ2 TRP 77 2HZ TRP 77 4.581 8.289 6.543 591 HZ3 TRP 77 3HZ TRP 77 1.837 6.133 8.991 592 HH2 TRP 77 HH TRP 77 2.366 8.044 7.570 593 H ALA 78 H ALA 78 9.006 2.096 11.349 594 HA ALA 78 HA ALA 78 9.354 0.281 12.551 595 1HB ALA 78 1HB ALA 78 8.320 1.663 14.313 596 2HB ALA 78 2HB ALA 78 8.068 -0.063 14.575 597 3HB ALA 78 3HB ALA 78 6.758 0.934 13.943 598 H ILE 79 H ILE 79 8.979 -0.778 10.467 599 HA ILE 79 HA ILE 79 6.666 -2.569 10.480 600 HB ILE 79 HB ILE 79 8.883 -2.287 8.418 601 1HG1 ILE 79 2HG1 ILE 79 7.600 -0.221 8.513 602 2HG1 ILE 79 1HG1 ILE 79 7.207 -1.085 7.034 603 1HG2 ILE 79 1HG2 ILE 79 7.390 -3.537 6.922 604 2HG2 ILE 79 2HG2 ILE 79 6.239 -3.732 8.242 605 3HG2 ILE 79 3HG2 ILE 79 7.831 -4.481 8.349 606 1HD1 ILE 79 1HD1 ILE 79 5.521 -0.951 9.534 607 2HD1 ILE 79 2HD1 ILE 79 5.127 -1.875 8.089 608 3HD1 ILE 79 3HD1 ILE 79 5.212 -0.120 8.007 609 H GLN 80 H GLN 80 7.007 -3.940 12.020 610 HA GLN 80 HA GLN 80 9.597 -5.171 12.462 611 1HB GLN 80 2HB GLN 80 8.204 -4.420 14.350 612 2HB GLN 80 1HB GLN 80 6.955 -5.553 13.875 613 1HG GLN 80 2HG GLN 80 8.428 -7.417 14.377 614 2HG GLN 80 1HG GLN 80 9.729 -6.301 14.790 615 1HE2 GLN 80 1HE2 GLN 80 8.412 -8.326 16.442 616 2HE2 GLN 80 2HE2 GLN 80 7.798 -7.496 17.812 617 H ALA 81 H ALA 81 6.403 -6.058 11.319 618 HA ALA 81 HA ALA 81 7.501 -8.671 10.539 619 1HB ALA 81 1HB ALA 81 4.692 -8.112 11.505 620 2HB ALA 81 2HB ALA 81 5.938 -8.981 12.401 621 3HB ALA 81 3HB ALA 81 5.278 -9.664 10.913 622 H MET 82 H MET 82 7.332 -9.121 8.453 623 HA MET 82 HA MET 82 5.931 -7.140 6.805 624 1HB MET 82 2HB MET 82 8.272 -8.923 6.175 625 2HB MET 82 1HB MET 82 7.562 -7.751 5.078 626 1HG MET 82 2HG MET 82 8.204 -5.928 6.536 627 2HG MET 82 1HG MET 82 8.796 -7.083 7.730 628 1HE MET 82 1HE MET 82 11.911 -8.600 6.005 629 2HE MET 82 2HE MET 82 10.273 -9.244 5.961 630 3HE MET 82 3HE MET 82 10.910 -8.561 7.456 631 HA PRO 83 HA PRO 83 5.382 -6.887 4.756 632 1HB PRO 83 2HB PRO 83 2.855 -7.228 3.430 633 2HB PRO 83 1HB PRO 83 4.460 -7.140 2.703 634 1HG PRO 83 2HG PRO 83 2.904 -9.392 2.704 635 2HG PRO 83 1HG PRO 83 4.676 -9.406 2.604 636 1HD PRO 83 2HD PRO 83 2.907 -9.852 4.978 637 2HD PRO 83 1HD PRO 83 4.367 -10.727 4.470 638 H THR 84 H THR 84 4.225 -4.984 5.213 639 HA THR 84 HA THR 84 1.964 -5.323 7.042 640 HB THR 84 HB THR 84 3.897 -3.108 6.849 641 HG1 THR 84 1HG THR 84 4.136 -5.462 8.111 642 1HG2 THR 84 1HG2 THR 84 2.886 -2.310 8.974 643 2HG2 THR 84 2HG2 THR 84 1.712 -3.626 8.836 644 3HG2 THR 84 3HG2 THR 84 1.743 -2.342 7.625 645 H PHE 85 H PHE 85 0.055 -4.541 6.245 646 HA PHE 85 HA PHE 85 0.185 -2.787 3.949 647 1HB PHE 85 2HB PHE 85 -2.062 -4.542 5.006 648 2HB PHE 85 1HB PHE 85 -2.061 -3.557 3.562 649 HD1 PHE 85 1HD PHE 85 -0.963 -4.269 1.566 650 HD2 PHE 85 2HD PHE 85 -0.730 -6.587 5.121 651 HE1 PHE 85 1HE PHE 85 -0.077 -6.162 0.273 652 HE2 PHE 85 2HE PHE 85 0.160 -8.482 3.833 653 HZ PHE 85 HZ PHE 85 0.485 -8.264 1.404 654 H MET 86 H MET 86 -0.329 -0.734 4.360 655 HA MET 86 HA MET 86 -1.931 -0.217 6.762 656 1HB MET 86 2HB MET 86 0.325 0.647 7.007 657 2HB MET 86 1HB MET 86 0.159 1.550 5.504 658 1HG MET 86 2HG MET 86 -1.611 2.904 6.523 659 2HG MET 86 1HG MET 86 -1.449 1.985 8.014 660 1HE MET 86 1HE MET 86 0.312 4.510 5.552 661 2HE MET 86 2HE MET 86 1.478 3.186 5.626 662 3HE MET 86 3HE MET 86 1.868 4.744 6.349 663 H PHE 87 H PHE 87 -3.855 0.567 6.446 664 HA PHE 87 HA PHE 87 -4.518 1.659 3.873 665 1HB PHE 87 2HB PHE 87 -6.023 0.259 6.043 666 2HB PHE 87 1HB PHE 87 -6.800 1.038 4.688 667 HD1 PHE 87 1HD PHE 87 -6.896 -0.047 2.567 668 HD2 PHE 87 2HD PHE 87 -4.499 -1.695 5.669 669 HE1 PHE 87 1HE PHE 87 -6.590 -2.086 1.239 670 HE2 PHE 87 2HE PHE 87 -4.187 -3.744 4.344 671 HZ PHE 87 HZ PHE 87 -5.234 -3.939 2.123 672 H LEU 88 H LEU 88 -4.795 3.810 3.888 673 HA LEU 88 HA LEU 88 -5.822 4.904 6.301 674 1HB LEU 88 2HB LEU 88 -4.254 6.837 6.209 675 2HB LEU 88 1HB LEU 88 -3.472 5.316 6.532 676 HG LEU 88 HG LEU 88 -3.413 6.708 3.849 677 1HD1 LEU 88 1HD1 LEU 88 -1.138 7.380 4.478 678 2HD1 LEU 88 2HD1 LEU 88 -1.366 6.651 6.069 679 3HD1 LEU 88 3HD1 LEU 88 -2.326 8.050 5.598 680 1HD2 LEU 88 1HD2 LEU 88 -2.975 4.291 3.725 681 2HD2 LEU 88 2HD2 LEU 88 -1.751 4.451 4.986 682 3HD2 LEU 88 3HD2 LEU 88 -1.503 5.213 3.416 683 H LYS 89 H LYS 89 -6.531 7.242 5.840 684 HA LYS 89 HA LYS 89 -7.705 7.360 3.137 685 1HB LYS 89 2HB LYS 89 -9.362 6.448 4.634 686 2HB LYS 89 1HB LYS 89 -9.072 7.748 5.780 687 1HG LYS 89 2HG LYS 89 -9.943 9.358 4.173 688 2HG LYS 89 1HG LYS 89 -10.265 8.054 3.022 689 1HD LYS 89 2HD LYS 89 -11.814 7.046 4.623 690 2HD LYS 89 1HD LYS 89 -11.458 8.326 5.783 691 1HE LYS 89 2HE LYS 89 -12.327 9.984 4.197 692 2HE LYS 89 1HE LYS 89 -12.709 8.700 3.060 693 1HZ LYS 89 1HZ LYS 89 -13.841 8.992 5.773 694 2HZ LYS 89 2HZ LYS 89 -14.290 7.796 4.660 695 3HZ LYS 89 3HZ LYS 89 -14.612 9.429 4.354 696 H GLU 90 H GLU 90 -7.106 9.110 2.235 697 HA GLU 90 HA GLU 90 -6.607 11.107 1.757 698 1HB GLU 90 2HB GLU 90 -7.840 11.875 4.373 699 2HB GLU 90 1HB GLU 90 -7.429 13.039 3.133 700 1HG GLU 90 2HG GLU 90 -9.098 11.998 1.665 701 2HG GLU 90 1HG GLU 90 -9.521 10.873 2.960 702 H GLY 91 H GLY 91 -4.881 9.481 3.585 703 1HA GLY 91 2HA GLY 91 -2.693 9.834 4.388 704 2HA GLY 91 1HA GLY 91 -3.061 11.538 4.570 705 H LYS 92 H LYS 92 -5.666 10.017 5.958 706 HA LYS 92 HA LYS 92 -4.438 10.117 8.630 707 1HB LYS 92 2HB LYS 92 -7.367 9.776 7.889 708 2HB LYS 92 1HB LYS 92 -6.732 9.910 9.507 709 1HG LYS 92 2HG LYS 92 -7.733 11.975 9.016 710 2HG LYS 92 1HG LYS 92 -6.000 12.250 8.883 711 1HD LYS 92 2HD LYS 92 -6.139 12.179 6.478 712 2HD LYS 92 1HD LYS 92 -7.838 11.703 6.556 713 1HE LYS 92 2HE LYS 92 -8.364 13.803 7.660 714 2HE LYS 92 1HE LYS 92 -6.686 14.315 7.533 715 1HZ LYS 92 1HZ LYS 92 -6.900 14.192 5.123 716 2HZ LYS 92 2HZ LYS 92 -7.981 15.280 5.799 717 3HZ LYS 92 3HZ LYS 92 -8.548 13.780 5.256 718 H ILE 93 H ILE 93 -4.146 8.267 9.799 719 HA ILE 93 HA ILE 93 -4.230 5.806 8.340 720 HB ILE 93 HB ILE 93 -3.524 6.287 11.253 721 1HG1 ILE 93 2HG1 ILE 93 -1.746 6.019 8.812 722 2HG1 ILE 93 1HG1 ILE 93 -2.082 7.517 9.667 723 1HG2 ILE 93 1HG2 ILE 93 -4.115 3.945 10.835 724 2HG2 ILE 93 2HG2 ILE 93 -2.383 4.106 11.127 725 3HG2 ILE 93 3HG2 ILE 93 -2.981 3.891 9.482 726 1HD1 ILE 93 1HD1 ILE 93 0.102 6.637 10.256 727 2HD1 ILE 93 2HD1 ILE 93 -0.632 5.124 10.781 728 3HD1 ILE 93 3HD1 ILE 93 -0.969 6.618 11.656 729 H LEU 94 H LEU 94 -5.825 4.309 8.258 730 HA LEU 94 HA LEU 94 -7.992 4.577 10.179 731 1HB LEU 94 2HB LEU 94 -7.855 3.420 7.441 732 2HB LEU 94 1HB LEU 94 -9.221 3.127 8.462 733 HG LEU 94 HG LEU 94 -8.305 5.748 7.273 734 1HD1 LEU 94 1HD1 LEU 94 -10.540 5.706 6.259 735 2HD1 LEU 94 2HD1 LEU 94 -10.817 4.117 6.972 736 3HD1 LEU 94 3HD1 LEU 94 -9.542 4.343 5.771 737 1HD2 LEU 94 1HD2 LEU 94 -9.047 6.203 9.559 738 2HD2 LEU 94 2HD2 LEU 94 -10.526 5.291 9.270 739 3HD2 LEU 94 3HD2 LEU 94 -10.235 6.792 8.396 740 H ASP 95 H ASP 95 -6.294 1.951 8.370 741 HA ASP 95 HA ASP 95 -6.316 0.413 10.730 742 1HB ASP 95 2HB ASP 95 -7.315 -1.507 9.599 743 2HB ASP 95 1HB ASP 95 -8.503 -0.277 9.989 744 H LYS 96 H LYS 96 -5.191 -1.565 10.391 745 HA LYS 96 HA LYS 96 -3.299 -1.441 8.228 746 1HB LYS 96 2HB LYS 96 -2.533 0.298 9.770 747 2HB LYS 96 1HB LYS 96 -2.565 -0.841 11.086 748 1HG LYS 96 2HG LYS 96 -0.811 -1.074 8.702 749 2HG LYS 96 1HG LYS 96 -0.349 -0.187 10.148 750 1HD LYS 96 2HD LYS 96 -1.039 -3.157 10.091 751 2HD LYS 96 1HD LYS 96 0.599 -2.523 10.030 752 1HE LYS 96 2HE LYS 96 0.088 -3.288 12.276 753 2HE LYS 96 1HE LYS 96 0.302 -1.552 12.277 754 1HZ LYS 96 1HZ LYS 96 -2.114 -1.277 12.534 755 2HZ LYS 96 2HZ LYS 96 -1.571 -2.354 13.666 756 3HZ LYS 96 3HZ LYS 96 -2.359 -2.929 12.314 757 H VAL 97 H VAL 97 -2.639 -3.400 7.763 758 HA VAL 97 HA VAL 97 -3.285 -5.601 9.612 759 HB VAL 97 HB VAL 97 -3.183 -5.595 6.577 760 1HG1 VAL 97 1HG1 VAL 97 -2.520 -7.758 7.481 761 2HG1 VAL 97 2HG1 VAL 97 -4.090 -7.858 6.689 762 3HG1 VAL 97 3HG1 VAL 97 -3.997 -7.819 8.447 763 1HG2 VAL 97 1HG2 VAL 97 -5.554 -5.770 8.434 764 2HG2 VAL 97 2HG2 VAL 97 -5.613 -5.930 6.676 765 3HG2 VAL 97 3HG2 VAL 97 -5.126 -4.401 7.409 766 H VAL 98 H VAL 98 -1.516 -6.553 10.377 767 HA VAL 98 HA VAL 98 0.956 -6.329 8.859 768 HB VAL 98 HB VAL 98 0.998 -5.613 11.248 769 1HG1 VAL 98 1HG1 VAL 98 0.974 -7.262 13.050 770 2HG1 VAL 98 2HG1 VAL 98 0.541 -8.515 11.893 771 3HG1 VAL 98 3HG1 VAL 98 -0.576 -7.196 12.213 772 1HG2 VAL 98 1HG2 VAL 98 2.726 -7.979 10.603 773 2HG2 VAL 98 2HG2 VAL 98 3.045 -6.794 11.873 774 3HG2 VAL 98 3HG2 VAL 98 3.047 -6.298 10.181 775 H GLY 99 H GLY 99 1.931 -8.041 7.945 776 1HA GLY 99 2HA GLY 99 2.495 -10.272 7.657 777 2HA GLY 99 1HA GLY 99 1.129 -10.743 8.668 778 H ALA 100 H ALA 100 1.942 -11.584 5.903 779 HA ALA 100 HA ALA 100 -0.113 -10.455 4.230 780 1HB ALA 100 1HB ALA 100 1.980 -11.290 3.229 781 2HB ALA 100 2HB ALA 100 0.579 -12.153 2.591 782 3HB ALA 100 3HB ALA 100 1.603 -12.913 3.806 783 H LYS 101 H LYS 101 -2.105 -10.856 4.739 784 HA LYS 101 HA LYS 101 -2.848 -13.569 5.449 785 1HB LYS 101 2HB LYS 101 -3.940 -10.940 6.413 786 2HB LYS 101 1HB LYS 101 -4.622 -12.516 6.793 787 1HG LYS 101 2HG LYS 101 -2.629 -13.162 7.967 788 2HG LYS 101 1HG LYS 101 -1.802 -11.681 7.462 789 1HD LYS 101 2HD LYS 101 -2.463 -11.627 9.691 790 2HD LYS 101 1HD LYS 101 -3.405 -10.457 8.743 791 1HE LYS 101 2HE LYS 101 -5.288 -12.057 8.718 792 2HE LYS 101 1HE LYS 101 -4.327 -13.176 9.693 793 1HZ LYS 101 1HZ LYS 101 -5.894 -11.930 11.046 794 2HZ LYS 101 2HZ LYS 101 -5.234 -10.475 10.513 795 3HZ LYS 101 3HZ LYS 101 -4.311 -11.515 11.475 796 H LYS 102 H LYS 102 -3.956 -14.324 3.634 797 HA LYS 102 HA LYS 102 -4.870 -12.533 1.687 798 1HB LYS 102 2HB LYS 102 -3.961 -14.800 1.231 799 2HB LYS 102 1HB LYS 102 -5.423 -15.462 1.946 800 1HG LYS 102 2HG LYS 102 -6.780 -14.502 0.286 801 2HG LYS 102 1HG LYS 102 -5.425 -13.613 -0.402 802 1HD LYS 102 2HD LYS 102 -5.826 -15.470 -1.874 803 2HD LYS 102 1HD LYS 102 -4.379 -15.858 -0.960 804 1HE LYS 102 2HE LYS 102 -7.160 -16.914 -0.363 805 2HE LYS 102 1HE LYS 102 -5.937 -17.770 -1.274 806 1HZ LYS 102 1HZ LYS 102 -4.532 -17.763 0.716 807 2HZ LYS 102 2HZ LYS 102 -5.980 -18.571 0.927 808 3HZ LYS 102 3HZ LYS 102 -5.785 -17.076 1.637 809 H ASP 103 H ASP 103 -6.450 -14.294 4.259 810 HA ASP 103 HA ASP 103 -9.101 -13.759 3.317 811 1HB ASP 103 2HB ASP 103 -8.757 -15.650 4.803 812 2HB ASP 103 1HB ASP 103 -8.125 -14.591 6.057 813 H GLU 104 H GLU 104 -7.101 -12.335 5.846 814 HA GLU 104 HA GLU 104 -9.102 -10.429 6.506 815 1HB GLU 104 2HB GLU 104 -7.548 -11.109 8.233 816 2HB GLU 104 1HB GLU 104 -6.191 -10.518 7.288 817 1HG GLU 104 2HG GLU 104 -6.835 -8.263 7.616 818 2HG GLU 104 1HG GLU 104 -8.391 -8.740 8.290 819 H LEU 105 H LEU 105 -6.379 -10.329 4.325 820 HA LEU 105 HA LEU 105 -6.275 -7.563 3.916 821 1HB LEU 105 2HB LEU 105 -4.701 -9.293 3.023 822 2HB LEU 105 1HB LEU 105 -5.911 -9.715 1.872 823 HG LEU 105 HG LEU 105 -5.865 -7.526 0.858 824 1HD1 LEU 105 1HD1 LEU 105 -3.621 -6.945 2.800 825 2HD1 LEU 105 2HD1 LEU 105 -5.205 -6.166 2.773 826 3HD1 LEU 105 3HD1 LEU 105 -4.077 -5.916 1.445 827 1HD2 LEU 105 1HD2 LEU 105 -4.421 -9.267 -0.021 828 2HD2 LEU 105 2HD2 LEU 105 -3.138 -8.789 1.092 829 3HD2 LEU 105 3HD2 LEU 105 -3.652 -7.690 -0.190 830 H GLN 106 H GLN 106 -8.002 -10.043 2.211 831 HA GLN 106 HA GLN 106 -9.430 -8.359 0.451 832 1HB GLN 106 2HB GLN 106 -10.202 -11.096 1.443 833 2HB GLN 106 1HB GLN 106 -10.981 -10.258 0.108 834 1HG GLN 106 2HG GLN 106 -8.891 -10.228 -1.110 835 2HG GLN 106 1HG GLN 106 -8.089 -11.052 0.223 836 1HE2 GLN 106 1HE2 GLN 106 -8.538 -13.175 0.599 837 2HE2 GLN 106 2HE2 GLN 106 -9.297 -14.215 -0.555 838 H SER 107 H SER 107 -10.227 -9.466 3.696 839 HA SER 107 HA SER 107 -12.851 -8.366 3.670 840 1HB SER 107 2HB SER 107 -11.035 -8.954 6.017 841 2HB SER 107 1HB SER 107 -12.776 -8.674 6.106 842 HG SER 107 HG SER 107 -12.169 -10.861 6.113 843 H THR 108 H THR 108 -9.693 -7.137 4.358 844 HA THR 108 HA THR 108 -10.515 -4.674 5.475 845 HB THR 108 HB THR 108 -7.939 -5.477 4.108 846 HG1 THR 108 1HG THR 108 -8.350 -6.687 5.974 847 1HG2 THR 108 1HG2 THR 108 -6.963 -3.564 5.312 848 2HG2 THR 108 2HG2 THR 108 -8.563 -3.115 5.898 849 3HG2 THR 108 3HG2 THR 108 -8.203 -3.048 4.177 850 H ILE 109 H ILE 109 -9.838 -5.833 2.229 851 HA ILE 109 HA ILE 109 -9.979 -3.333 0.941 852 HB ILE 109 HB ILE 109 -10.651 -6.075 -0.178 853 1HG1 ILE 109 2HG1 ILE 109 -8.359 -5.942 0.667 854 2HG1 ILE 109 1HG1 ILE 109 -8.360 -6.039 -1.087 855 1HG2 ILE 109 1HG2 ILE 109 -10.248 -5.062 -2.395 856 2HG2 ILE 109 2HG2 ILE 109 -10.048 -3.490 -1.609 857 3HG2 ILE 109 3HG2 ILE 109 -11.607 -4.305 -1.553 858 1HD1 ILE 109 1HD1 ILE 109 -7.970 -3.543 0.554 859 2HD1 ILE 109 2HD1 ILE 109 -7.928 -3.626 -1.211 860 3HD1 ILE 109 3HD1 ILE 109 -6.700 -4.453 -0.253 861 H ALA 110 H ALA 110 -12.471 -5.856 1.394 862 HA ALA 110 HA ALA 110 -14.581 -4.342 0.281 863 1HB ALA 110 1HB ALA 110 -16.066 -5.953 1.358 864 2HB ALA 110 2HB ALA 110 -14.720 -6.540 2.344 865 3HB ALA 110 3HB ALA 110 -14.695 -6.760 0.596 866 H LYS 111 H LYS 111 -13.210 -4.407 3.427 867 HA LYS 111 HA LYS 111 -15.066 -3.050 5.003 868 1HB LYS 111 2HB LYS 111 -12.849 -4.084 5.618 869 2HB LYS 111 1HB LYS 111 -12.172 -2.675 4.874 870 1HG LYS 111 2HG LYS 111 -13.127 -1.204 6.515 871 2HG LYS 111 1HG LYS 111 -13.916 -2.571 7.316 872 1HD LYS 111 2HD LYS 111 -11.728 -3.577 7.762 873 2HD LYS 111 1HD LYS 111 -10.940 -2.215 6.971 874 1HE LYS 111 2HE LYS 111 -10.857 -1.933 9.370 875 2HE LYS 111 1HE LYS 111 -11.903 -0.716 8.653 876 1HZ LYS 111 1HZ LYS 111 -12.840 -1.664 10.653 877 2HZ LYS 111 2HZ LYS 111 -12.836 -3.202 9.975 878 3HZ LYS 111 3HZ LYS 111 -13.832 -1.999 9.331 879 H HIS 112 H HIS 112 -12.518 -1.857 2.873 880 HA HIS 112 HA HIS 112 -13.160 0.873 3.350 881 1HB HIS 112 2HB HIS 112 -11.170 -0.481 1.585 882 2HB HIS 112 1HB HIS 112 -11.490 1.240 1.481 883 HD1 HIS 112 1HD HIS 112 -10.406 2.717 3.210 884 HD2 HIS 112 2HD HIS 112 -10.024 -1.309 4.097 885 HE1 HIS 112 1HE HIS 112 -8.775 2.593 5.108 886 HE2 HIS 112 2HE HIS 112 -8.911 0.237 5.857 887 H LEU 113 H LEU 113 -14.354 -1.484 1.020 888 HA LEU 113 HA LEU 113 -15.022 0.329 -0.952 889 1HB LEU 113 2HB LEU 113 -15.553 -2.407 -0.178 890 2HB LEU 113 1HB LEU 113 -16.846 -1.678 -1.083 891 HG LEU 113 HG LEU 113 -15.380 -2.956 -2.555 892 1HD1 LEU 113 1HD1 LEU 113 -14.950 -0.014 -2.982 893 2HD1 LEU 113 2HD1 LEU 113 -16.349 -0.952 -3.489 894 3HD1 LEU 113 3HD1 LEU 113 -14.767 -1.281 -4.194 895 1HD2 LEU 113 1HD2 LEU 113 -13.149 -1.176 -1.594 896 2HD2 LEU 113 2HD2 LEU 113 -13.027 -2.389 -2.872 897 3HD2 LEU 113 3HD2 LEU 113 -13.343 -2.883 -1.211 898 H ALA 114 H ALA 114 -16.355 1.974 -0.680 899 HA ALA 114 HA ALA 114 -18.877 1.559 0.695 900 1HB ALA 114 1HB ALA 114 -18.635 3.655 1.949 901 2HB ALA 114 2HB ALA 114 -16.991 3.837 1.330 902 3HB ALA 114 3HB ALA 114 -17.388 2.493 2.402 Start of MODEL 13 1 H MET 1 H MET 1 -2.375 13.324 -19.806 2 HA MET 1 HA MET 1 -4.367 12.846 -17.812 3 1HB MET 1 2HB MET 1 -3.878 11.744 -20.554 4 2HB MET 1 1HB MET 1 -5.008 10.958 -19.475 5 1HG MET 1 2HG MET 1 -6.097 12.409 -21.101 6 2HG MET 1 1HG MET 1 -6.419 12.893 -19.454 7 1HE MET 1 1HE MET 1 -6.171 15.307 -18.621 8 2HE MET 1 2HE MET 1 -4.914 16.412 -19.172 9 3HE MET 1 3HE MET 1 -4.468 14.899 -18.387 10 H ALA 2 H ALA 2 -3.604 11.966 -16.155 11 HA ALA 2 HA ALA 2 -1.735 9.734 -16.400 12 1HB ALA 2 1HB ALA 2 -1.049 11.559 -14.924 13 2HB ALA 2 2HB ALA 2 -1.262 10.055 -14.029 14 3HB ALA 2 3HB ALA 2 -2.494 11.314 -13.945 15 H SER 3 H SER 3 -2.854 7.975 -16.762 16 HA SER 3 HA SER 3 -5.304 7.489 -15.340 17 1HB SER 3 2HB SER 3 -5.123 6.908 -17.755 18 2HB SER 3 1HB SER 3 -3.812 5.798 -17.381 19 HG SER 3 HG SER 3 -6.497 5.643 -16.519 20 H GLU 4 H GLU 4 -4.412 7.447 -13.263 21 HA GLU 4 HA GLU 4 -2.399 5.467 -12.633 22 1HB GLU 4 2HB GLU 4 -2.558 7.790 -11.572 23 2HB GLU 4 1HB GLU 4 -3.953 7.190 -10.696 24 1HG GLU 4 2HG GLU 4 -2.054 7.082 -9.264 25 2HG GLU 4 1HG GLU 4 -2.495 5.432 -9.705 26 H GLU 5 H GLU 5 -3.637 3.688 -13.320 27 HA GLU 5 HA GLU 5 -5.145 2.432 -11.253 28 1HB GLU 5 2HB GLU 5 -7.111 1.967 -12.720 29 2HB GLU 5 1HB GLU 5 -6.971 3.660 -12.266 30 1HG GLU 5 2HG GLU 5 -6.000 4.150 -14.461 31 2HG GLU 5 1HG GLU 5 -6.173 2.454 -14.906 32 H GLY 6 H GLY 6 -5.082 0.213 -11.507 33 1HA GLY 6 2HA GLY 6 -4.339 -1.799 -12.393 34 2HA GLY 6 1HA GLY 6 -4.212 -1.005 -13.961 35 H GLN 7 H GLN 7 -2.689 0.590 -11.445 36 HA GLN 7 HA GLN 7 -0.159 -0.672 -11.804 37 1HB GLN 7 2HB GLN 7 0.888 1.634 -12.189 38 2HB GLN 7 1HB GLN 7 0.180 0.794 -13.550 39 1HG GLN 7 2HG GLN 7 -1.837 2.211 -13.338 40 2HG GLN 7 1HG GLN 7 -1.102 3.029 -11.964 41 1HE2 GLN 7 1HE2 GLN 7 0.403 4.548 -12.315 42 2HE2 GLN 7 2HE2 GLN 7 0.859 5.166 -13.861 43 H VAL 8 H VAL 8 1.295 -0.160 -10.342 44 HA VAL 8 HA VAL 8 0.235 0.968 -7.829 45 HB VAL 8 HB VAL 8 2.273 -1.263 -8.192 46 1HG1 VAL 8 1HG1 VAL 8 0.990 -0.189 -5.698 47 2HG1 VAL 8 2HG1 VAL 8 2.680 -0.008 -6.178 48 3HG1 VAL 8 3HG1 VAL 8 2.028 -1.607 -5.797 49 1HG2 VAL 8 1HG2 VAL 8 0.562 -2.773 -7.296 50 2HG2 VAL 8 2HG2 VAL 8 0.046 -2.037 -8.814 51 3HG2 VAL 8 3HG2 VAL 8 -0.595 -1.444 -7.281 52 H ILE 9 H ILE 9 1.654 2.431 -6.754 53 HA ILE 9 HA ILE 9 3.872 3.286 -8.391 54 HB ILE 9 HB ILE 9 2.840 4.439 -5.787 55 1HG1 ILE 9 2HG1 ILE 9 2.230 6.408 -7.324 56 2HG1 ILE 9 1HG1 ILE 9 2.447 5.295 -8.646 57 1HG2 ILE 9 1HG2 ILE 9 5.195 4.894 -6.026 58 2HG2 ILE 9 2HG2 ILE 9 4.281 6.386 -6.283 59 3HG2 ILE 9 3HG2 ILE 9 4.943 5.507 -7.662 60 1HD1 ILE 9 1HD1 ILE 9 0.091 5.509 -8.073 61 2HD1 ILE 9 2HD1 ILE 9 0.434 4.997 -6.424 62 3HD1 ILE 9 3HD1 ILE 9 0.658 3.867 -7.761 63 H ALA 10 H ALA 10 5.728 2.261 -8.119 64 HA ALA 10 HA ALA 10 6.277 0.962 -5.580 65 1HB ALA 10 1HB ALA 10 7.781 0.855 -8.194 66 2HB ALA 10 2HB ALA 10 6.604 -0.332 -7.633 67 3HB ALA 10 3HB ALA 10 8.125 -0.117 -6.766 68 H CYS 11 H CYS 11 7.196 2.236 -4.074 69 HA CYS 11 HA CYS 11 8.853 4.420 -4.942 70 1HB CYS 11 2HB CYS 11 8.123 3.668 -2.133 71 2HB CYS 11 1HB CYS 11 8.711 5.161 -2.767 72 HG CYS 11 HG CYS 11 5.683 4.034 -3.836 73 H HIS 12 H HIS 12 10.922 4.091 -5.096 74 HA HIS 12 HA HIS 12 12.199 2.070 -3.367 75 1HB HIS 12 2HB HIS 12 13.054 3.065 -6.094 76 2HB HIS 12 1HB HIS 12 13.960 1.922 -5.112 77 HD1 HIS 12 1HD HIS 12 13.180 -0.570 -5.219 78 HD2 HIS 12 2HD HIS 12 10.682 2.063 -7.261 79 HE1 HIS 12 1HE HIS 12 11.617 -1.993 -6.518 80 HE2 HIS 12 2HE HIS 12 10.419 -0.378 -8.005 81 H THR 13 H THR 13 11.538 5.099 -3.309 82 HA THR 13 HA THR 13 14.179 5.936 -2.366 83 HB THR 13 HB THR 13 12.558 7.830 -3.926 84 HG1 THR 13 1HG THR 13 14.556 6.044 -5.087 85 1HG2 THR 13 1HG2 THR 13 14.766 8.800 -4.443 86 2HG2 THR 13 2HG2 THR 13 15.507 7.461 -3.562 87 3HG2 THR 13 3HG2 THR 13 14.476 8.616 -2.705 88 H VAL 14 H VAL 14 13.945 7.662 -0.917 89 HA VAL 14 HA VAL 14 11.438 7.638 0.502 90 HB VAL 14 HB VAL 14 13.587 7.689 1.763 91 1HG1 VAL 14 1HG1 VAL 14 13.825 10.517 0.806 92 2HG1 VAL 14 2HG1 VAL 14 14.872 9.174 0.362 93 3HG1 VAL 14 3HG1 VAL 14 14.845 9.762 2.027 94 1HG2 VAL 14 1HG2 VAL 14 11.773 10.030 2.347 95 2HG2 VAL 14 2HG2 VAL 14 12.934 9.336 3.479 96 3HG2 VAL 14 3HG2 VAL 14 11.565 8.375 2.920 97 H GLU 15 H GLU 15 13.006 9.684 -1.765 98 HA GLU 15 HA GLU 15 11.654 12.108 -1.503 99 1HB GLU 15 2HB GLU 15 13.474 11.734 -3.117 100 2HB GLU 15 1HB GLU 15 12.439 10.652 -4.034 101 1HG GLU 15 2HG GLU 15 10.885 12.576 -4.392 102 2HG GLU 15 1HG GLU 15 12.103 13.611 -3.648 103 H THR 16 H THR 16 10.836 9.252 -3.455 104 HA THR 16 HA THR 16 8.360 10.144 -4.410 105 HB THR 16 HB THR 16 9.305 7.297 -4.024 106 HG1 THR 16 1HG THR 16 9.928 9.330 -5.847 107 1HG2 THR 16 1HG2 THR 16 7.906 6.857 -6.004 108 2HG2 THR 16 2HG2 THR 16 7.434 8.552 -6.053 109 3HG2 THR 16 3HG2 THR 16 6.936 7.539 -4.699 110 H TRP 17 H TRP 17 9.312 8.156 -1.653 111 HA TRP 17 HA TRP 17 6.857 7.341 -0.728 112 1HB TRP 17 2HB TRP 17 8.870 6.446 0.206 113 2HB TRP 17 1HB TRP 17 9.396 8.040 0.727 114 HD1 TRP 17 HD TRP 17 9.223 8.292 3.228 115 HE1 TRP 17 1HE TRP 17 7.688 7.464 5.075 116 HE3 TRP 17 3HE TRP 17 5.991 5.577 0.371 117 HZ2 TRP 17 2HZ TRP 17 5.342 5.856 5.304 118 HZ3 TRP 17 3HZ TRP 17 4.130 4.444 1.461 119 HH2 TRP 17 HH TRP 17 3.803 4.574 3.888 120 H ASN 18 H ASN 18 8.618 10.277 0.244 121 HA ASN 18 HA ASN 18 6.497 11.250 1.867 122 1HB ASN 18 2HB ASN 18 8.844 12.010 2.124 123 2HB ASN 18 1HB ASN 18 8.727 12.823 0.572 124 1HD2 ASN 18 1HD2 ASN 18 9.067 14.866 1.404 125 2HD2 ASN 18 2HD2 ASN 18 7.911 15.692 2.369 126 H GLU 19 H GLU 19 7.519 11.913 -1.427 127 HA GLU 19 HA GLU 19 5.811 14.037 -1.996 128 1HB GLU 19 2HB GLU 19 7.737 13.503 -3.368 129 2HB GLU 19 1HB GLU 19 7.002 11.988 -3.856 130 1HG GLU 19 2HG GLU 19 5.271 13.177 -5.053 131 2HG GLU 19 1HG GLU 19 5.915 14.716 -4.489 132 H GLN 20 H GLN 20 5.252 10.500 -2.558 133 HA GLN 20 HA GLN 20 2.830 10.857 -3.791 134 1HB GLN 20 2HB GLN 20 4.173 8.664 -2.405 135 2HB GLN 20 1HB GLN 20 2.564 8.451 -3.079 136 1HG GLN 20 2HG GLN 20 5.071 9.224 -4.576 137 2HG GLN 20 1HG GLN 20 4.292 7.642 -4.615 138 1HE2 GLN 20 1HE2 GLN 20 2.348 7.418 -5.714 139 2HE2 GLN 20 2HE2 GLN 20 1.803 8.567 -6.880 140 H LEU 21 H LEU 21 3.664 10.421 -0.304 141 HA LEU 21 HA LEU 21 1.030 10.133 0.485 142 1HB LEU 21 2HB LEU 21 3.553 10.972 1.703 143 2HB LEU 21 1HB LEU 21 2.089 10.852 2.635 144 HG LEU 21 HG LEU 21 3.616 8.619 1.263 145 1HD1 LEU 21 1HD1 LEU 21 4.622 9.389 3.321 146 2HD1 LEU 21 2HD1 LEU 21 3.952 7.772 3.520 147 3HD1 LEU 21 3HD1 LEU 21 3.092 9.172 4.175 148 1HD2 LEU 21 1HD2 LEU 21 1.032 8.445 2.825 149 2HD2 LEU 21 2HD2 LEU 21 1.980 7.074 2.260 150 3HD2 LEU 21 3HD2 LEU 21 1.220 8.155 1.091 151 H GLN 22 H GLN 22 3.210 12.834 0.152 152 HA GLN 22 HA GLN 22 1.592 14.805 1.266 153 1HB GLN 22 2HB GLN 22 3.972 15.147 0.660 154 2HB GLN 22 1HB GLN 22 3.547 15.063 -1.038 155 1HG GLN 22 2HG GLN 22 3.867 17.354 -0.374 156 2HG GLN 22 1HG GLN 22 2.173 17.077 -0.776 157 1HE2 GLN 22 1HE2 GLN 22 1.482 18.782 0.421 158 2HE2 GLN 22 2HE2 GLN 22 1.462 18.792 2.149 159 H LYS 23 H LYS 23 1.896 13.631 -2.036 160 HA LYS 23 HA LYS 23 -0.039 15.214 -3.276 161 1HB LYS 23 2HB LYS 23 1.600 13.965 -4.547 162 2HB LYS 23 1HB LYS 23 0.962 12.448 -3.935 163 1HG LYS 23 2HG LYS 23 -1.122 12.835 -5.139 164 2HG LYS 23 1HG LYS 23 -0.501 14.372 -5.730 165 1HD LYS 23 2HD LYS 23 1.270 13.236 -6.933 166 2HD LYS 23 1HD LYS 23 0.756 11.682 -6.274 167 1HE LYS 23 2HE LYS 23 -1.378 11.889 -7.401 168 2HE LYS 23 1HE LYS 23 -0.920 13.473 -8.022 169 1HZ LYS 23 1HZ LYS 23 0.825 12.446 -9.294 170 2HZ LYS 23 2HZ LYS 23 -0.651 11.730 -9.659 171 3HZ LYS 23 3HZ LYS 23 0.453 10.917 -8.669 172 H ALA 24 H ALA 24 -0.335 11.981 -1.739 173 HA ALA 24 HA ALA 24 -3.042 11.611 -2.450 174 1HB ALA 24 1HB ALA 24 -1.555 9.766 -1.813 175 2HB ALA 24 2HB ALA 24 -3.013 9.797 -0.819 176 3HB ALA 24 3HB ALA 24 -1.487 10.398 -0.170 177 H ASN 25 H ASN 25 -1.460 13.179 0.211 178 HA ASN 25 HA ASN 25 -3.679 13.375 1.989 179 1HB ASN 25 2HB ASN 25 -1.142 13.715 2.417 180 2HB ASN 25 1HB ASN 25 -1.397 15.295 1.762 181 1HD2 ASN 25 1HD2 ASN 25 -0.598 14.575 4.453 182 2HD2 ASN 25 2HD2 ASN 25 -1.749 15.288 5.519 183 H GLU 26 H GLU 26 -2.072 15.664 -0.122 184 HA GLU 26 HA GLU 26 -3.874 17.805 0.263 185 1HB GLU 26 2HB GLU 26 -2.075 17.340 -2.114 186 2HB GLU 26 1HB GLU 26 -2.875 18.851 -1.719 187 1HG GLU 26 2HG GLU 26 -1.610 18.962 0.371 188 2HG GLU 26 1HG GLU 26 -0.791 17.461 -0.060 189 H SER 27 H SER 27 -3.904 15.199 -2.098 190 HA SER 27 HA SER 27 -6.046 16.422 -3.574 191 1HB SER 27 2HB SER 27 -4.782 13.715 -3.839 192 2HB SER 27 1HB SER 27 -5.813 14.519 -5.027 193 HG SER 27 HG SER 27 -3.187 15.054 -4.255 194 H LYS 28 H LYS 28 -5.809 14.560 -0.782 195 HA LYS 28 HA LYS 28 -7.138 13.224 0.422 196 1HB LYS 28 2HB LYS 28 -9.239 14.660 -1.081 197 2HB LYS 28 1HB LYS 28 -9.614 13.633 0.305 198 1HG LYS 28 2HG LYS 28 -8.173 15.149 1.687 199 2HG LYS 28 1HG LYS 28 -7.992 16.180 0.270 200 1HD LYS 28 2HD LYS 28 -9.694 17.097 1.725 201 2HD LYS 28 1HD LYS 28 -10.447 16.517 0.241 202 1HE LYS 28 2HE LYS 28 -11.139 14.456 1.411 203 2HE LYS 28 1HE LYS 28 -10.376 15.049 2.884 204 1HZ LYS 28 1HZ LYS 28 -11.958 16.903 2.895 205 2HZ LYS 28 2HZ LYS 28 -12.764 15.435 2.904 206 3HZ LYS 28 3HZ LYS 28 -12.681 16.320 1.491 207 H THR 29 H THR 29 -6.036 11.877 -1.410 208 HA THR 29 HA THR 29 -8.069 10.341 -2.818 209 HB THR 29 HB THR 29 -5.119 9.956 -2.946 210 HG1 THR 29 1HG THR 29 -6.819 11.851 -4.218 211 1HG2 THR 29 1HG2 THR 29 -7.347 9.404 -4.901 212 2HG2 THR 29 2HG2 THR 29 -6.459 8.207 -3.955 213 3HG2 THR 29 3HG2 THR 29 -5.641 9.124 -5.226 214 H LEU 30 H LEU 30 -8.272 8.249 -2.385 215 HA LEU 30 HA LEU 30 -7.601 7.333 0.194 216 1HB LEU 30 2HB LEU 30 -9.704 6.683 -0.875 217 2HB LEU 30 1HB LEU 30 -8.850 5.914 -2.187 218 HG LEU 30 HG LEU 30 -8.120 4.114 -0.665 219 1HD1 LEU 30 1HD1 LEU 30 -7.970 5.382 1.368 220 2HD1 LEU 30 2HD1 LEU 30 -9.045 3.997 1.590 221 3HD1 LEU 30 3HD1 LEU 30 -9.715 5.619 1.389 222 1HD2 LEU 30 1HD2 LEU 30 -10.295 3.106 -0.257 223 2HD2 LEU 30 2HD2 LEU 30 -10.263 3.870 -1.844 224 3HD2 LEU 30 3HD2 LEU 30 -11.078 4.662 -0.496 225 H VAL 31 H VAL 31 -5.683 6.229 0.713 226 HA VAL 31 HA VAL 31 -4.102 5.240 -1.513 227 HB VAL 31 HB VAL 31 -3.274 7.442 -0.902 228 1HG1 VAL 31 1HG1 VAL 31 -2.841 6.352 1.853 229 2HG1 VAL 31 2HG1 VAL 31 -4.020 7.580 1.386 230 3HG1 VAL 31 3HG1 VAL 31 -2.291 7.928 1.282 231 1HG2 VAL 31 1HG2 VAL 31 -1.400 5.258 0.001 232 2HG2 VAL 31 2HG2 VAL 31 -0.917 6.895 -0.444 233 3HG2 VAL 31 3HG2 VAL 31 -1.627 5.828 -1.653 234 H VAL 32 H VAL 32 -3.149 3.350 -1.250 235 HA VAL 32 HA VAL 32 -3.152 2.128 1.413 236 HB VAL 32 HB VAL 32 -3.558 0.763 -1.216 237 1HG1 VAL 32 1HG1 VAL 32 -4.026 -1.262 0.145 238 2HG1 VAL 32 2HG1 VAL 32 -3.642 -0.338 1.598 239 3HG1 VAL 32 3HG1 VAL 32 -2.389 -0.649 0.402 240 1HG2 VAL 32 1HG2 VAL 32 -5.558 2.002 -0.623 241 2HG2 VAL 32 2HG2 VAL 32 -5.559 1.280 0.986 242 3HG2 VAL 32 3HG2 VAL 32 -5.860 0.275 -0.433 243 H VAL 33 H VAL 33 -1.170 1.739 2.066 244 HA VAL 33 HA VAL 33 0.952 1.561 0.053 245 HB VAL 33 HB VAL 33 1.179 2.284 2.985 246 1HG1 VAL 33 1HG1 VAL 33 3.493 2.834 2.470 247 2HG1 VAL 33 2HG1 VAL 33 3.256 2.316 0.802 248 3HG1 VAL 33 3HG1 VAL 33 3.151 1.142 2.110 249 1HG2 VAL 33 1HG2 VAL 33 1.711 4.548 2.183 250 2HG2 VAL 33 2HG2 VAL 33 0.086 4.055 1.707 251 3HG2 VAL 33 3HG2 VAL 33 1.397 4.028 0.528 252 H ASP 34 H ASP 34 1.894 -0.321 -0.195 253 HA ASP 34 HA ASP 34 1.567 -2.396 1.853 254 1HB ASP 34 2HB ASP 34 0.572 -2.883 -0.328 255 2HB ASP 34 1HB ASP 34 2.096 -2.528 -1.116 256 H PHE 35 H PHE 35 3.415 -2.902 2.928 257 HA PHE 35 HA PHE 35 5.943 -2.039 1.810 258 1HB PHE 35 2HB PHE 35 5.141 -2.962 4.565 259 2HB PHE 35 1HB PHE 35 6.762 -2.493 4.091 260 HD1 PHE 35 1HD PHE 35 3.438 -1.337 5.008 261 HD2 PHE 35 2HD PHE 35 7.260 -0.125 3.580 262 HE1 PHE 35 1HE PHE 35 2.909 0.995 5.581 263 HE2 PHE 35 2HE PHE 35 6.734 2.205 4.147 264 HZ PHE 35 HZ PHE 35 4.561 2.768 5.150 265 H THR 36 H THR 36 7.098 -3.514 0.786 266 HA THR 36 HA THR 36 6.850 -6.347 1.506 267 HB THR 36 HB THR 36 7.019 -5.100 -1.187 268 HG1 THR 36 1HG THR 36 4.841 -5.378 -0.059 269 1HG2 THR 36 1HG2 THR 36 6.890 -7.379 -2.188 270 2HG2 THR 36 2HG2 THR 36 7.023 -8.067 -0.575 271 3HG2 THR 36 3HG2 THR 36 8.363 -7.139 -1.248 272 H ALA 37 H ALA 37 8.726 -7.534 1.182 273 HA ALA 37 HA ALA 37 11.175 -6.029 0.612 274 1HB ALA 37 1HB ALA 37 10.762 -8.370 2.485 275 2HB ALA 37 2HB ALA 37 11.110 -6.707 2.961 276 3HB ALA 37 3HB ALA 37 12.323 -7.649 2.092 277 H SER 38 H SER 38 12.159 -6.787 -1.172 278 HA SER 38 HA SER 38 11.120 -8.653 -2.894 279 1HB SER 38 2HB SER 38 14.015 -7.870 -2.574 280 2HB SER 38 1HB SER 38 13.339 -8.686 -3.981 281 HG SER 38 HG SER 38 12.485 -6.128 -3.013 282 H TRP 39 H TRP 39 13.274 -9.256 -0.224 283 HA TRP 39 HA TRP 39 13.849 -11.958 -1.011 284 1HB TRP 39 2HB TRP 39 15.161 -12.009 1.141 285 2HB TRP 39 1HB TRP 39 15.583 -10.695 0.064 286 HD1 TRP 39 HD TRP 39 15.122 -8.328 0.830 287 HE1 TRP 39 1HE TRP 39 14.575 -7.254 3.173 288 HE3 TRP 39 3HE TRP 39 13.864 -12.533 3.359 289 HZ2 TRP 39 2HZ TRP 39 13.749 -8.134 5.684 290 HZ3 TRP 39 3HZ TRP 39 13.207 -12.358 5.722 291 HH2 TRP 39 HH TRP 39 13.151 -10.188 6.853 292 H CYS 40 H CYS 40 11.125 -10.655 0.232 293 HA CYS 40 HA CYS 40 10.655 -12.814 2.132 294 1HB CYS 40 2HB CYS 40 10.152 -10.602 2.964 295 2HB CYS 40 1HB CYS 40 9.128 -10.271 1.580 296 H GLY 41 H GLY 41 9.541 -14.511 1.572 297 1HA GLY 41 2HA GLY 41 8.561 -14.958 -1.044 298 2HA GLY 41 1HA GLY 41 8.337 -16.017 0.335 299 HA PRO 42 HA PRO 42 4.020 -15.106 0.736 300 1HB PRO 42 2HB PRO 42 3.753 -13.810 3.192 301 2HB PRO 42 1HB PRO 42 3.799 -15.562 2.965 302 1HG PRO 42 2HG PRO 42 5.997 -13.687 3.718 303 2HG PRO 42 1HG PRO 42 5.649 -15.309 4.356 304 1HD PRO 42 2HD PRO 42 7.622 -14.914 2.611 305 2HD PRO 42 1HD PRO 42 6.583 -16.348 2.484 306 H CYS 43 H CYS 43 6.128 -12.450 1.524 307 HA CYS 43 HA CYS 43 4.272 -10.328 1.205 308 1HB CYS 43 2HB CYS 43 7.258 -10.277 0.746 309 2HB CYS 43 1HB CYS 43 6.219 -8.899 1.073 310 H ARG 44 H ARG 44 6.440 -12.009 -1.039 311 HA ARG 44 HA ARG 44 5.715 -10.292 -3.214 312 1HB ARG 44 2HB ARG 44 7.918 -11.418 -3.138 313 2HB ARG 44 1HB ARG 44 7.110 -12.975 -3.264 314 1HG ARG 44 2HG ARG 44 6.203 -12.322 -5.444 315 2HG ARG 44 1HG ARG 44 7.045 -10.783 -5.319 316 1HD ARG 44 2HD ARG 44 9.180 -11.986 -5.235 317 2HD ARG 44 1HD ARG 44 8.303 -13.513 -5.405 318 HE ARG 44 HE ARG 44 7.625 -11.685 -7.450 319 1HH1 ARG 44 1HH1 ARG 44 10.125 -13.997 -6.517 320 2HH1 ARG 44 2HH1 ARG 44 10.668 -14.251 -8.108 321 1HH2 ARG 44 1HH2 ARG 44 8.344 -12.015 -9.577 322 2HH2 ARG 44 2HH2 ARG 44 9.643 -13.086 -9.900 323 H PHE 45 H PHE 45 4.717 -13.353 -1.917 324 HA PHE 45 HA PHE 45 3.136 -14.246 -4.063 325 1HB PHE 45 2HB PHE 45 3.823 -15.737 -2.243 326 2HB PHE 45 1HB PHE 45 2.844 -14.823 -1.106 327 HD1 PHE 45 1HD PHE 45 2.697 -17.028 -4.069 328 HD2 PHE 45 2HD PHE 45 0.527 -15.295 -0.834 329 HE1 PHE 45 1HE PHE 45 0.791 -18.506 -4.550 330 HE2 PHE 45 2HE PHE 45 -1.369 -16.770 -1.312 331 HZ PHE 45 HZ PHE 45 -1.245 -18.380 -3.172 332 H ILE 46 H ILE 46 2.489 -11.909 -1.566 333 HA ILE 46 HA ILE 46 -0.354 -11.924 -2.118 334 HB ILE 46 HB ILE 46 0.628 -11.516 0.201 335 1HG1 ILE 46 2HG1 ILE 46 -0.985 -9.671 0.779 336 2HG1 ILE 46 1HG1 ILE 46 -1.275 -9.482 -0.948 337 1HG2 ILE 46 1HG2 ILE 46 1.275 -8.808 -0.934 338 2HG2 ILE 46 2HG2 ILE 46 2.434 -10.020 -0.392 339 3HG2 ILE 46 3HG2 ILE 46 1.354 -9.251 0.772 340 1HD1 ILE 46 1HD1 ILE 46 -1.708 -11.963 0.643 341 2HD1 ILE 46 2HD1 ILE 46 -2.079 -11.763 -1.075 342 3HD1 ILE 46 3HD1 ILE 46 -2.980 -10.844 0.149 343 H ALA 47 H ALA 47 2.382 -10.525 -3.448 344 HA ALA 47 HA ALA 47 1.524 -7.944 -4.050 345 1HB ALA 47 1HB ALA 47 3.337 -7.797 -5.634 346 2HB ALA 47 2HB ALA 47 3.512 -9.549 -5.666 347 3HB ALA 47 3HB ALA 47 3.882 -8.652 -4.194 348 HA PRO 48 HA PRO 48 -0.064 -9.650 -8.425 349 1HB PRO 48 2HB PRO 48 -1.110 -12.256 -7.433 350 2HB PRO 48 1HB PRO 48 -0.410 -11.857 -9.005 351 1HG PRO 48 2HG PRO 48 0.991 -13.250 -7.235 352 2HG PRO 48 1HG PRO 48 1.771 -11.995 -8.215 353 1HD PRO 48 2HD PRO 48 0.917 -11.912 -5.353 354 2HD PRO 48 1HD PRO 48 2.374 -11.246 -6.114 355 H PHE 49 H PHE 49 -1.447 -10.516 -5.315 356 HA PHE 49 HA PHE 49 -4.169 -10.145 -6.118 357 1HB PHE 49 2HB PHE 49 -3.386 -11.588 -4.180 358 2HB PHE 49 1HB PHE 49 -3.021 -10.112 -3.309 359 HD1 PHE 49 1HD PHE 49 -4.926 -8.574 -2.677 360 HD2 PHE 49 2HD PHE 49 -5.565 -12.467 -4.265 361 HE1 PHE 49 1HE PHE 49 -7.226 -8.547 -1.807 362 HE2 PHE 49 2HE PHE 49 -7.865 -12.444 -3.405 363 HZ PHE 49 HZ PHE 49 -8.700 -10.485 -2.178 364 H PHE 50 H PHE 50 -1.710 -8.238 -4.472 365 HA PHE 50 HA PHE 50 -3.329 -5.918 -4.002 366 1HB PHE 50 2HB PHE 50 -1.253 -6.495 -2.719 367 2HB PHE 50 1HB PHE 50 -0.311 -6.180 -4.163 368 HD1 PHE 50 1HD PHE 50 -2.451 -4.652 -1.590 369 HD2 PHE 50 2HD PHE 50 0.312 -3.966 -4.749 370 HE1 PHE 50 1HE PHE 50 -2.248 -2.311 -0.893 371 HE2 PHE 50 2HE PHE 50 0.523 -1.614 -4.055 372 HZ PHE 50 HZ PHE 50 -0.758 -0.784 -2.126 373 H ALA 51 H ALA 51 -1.240 -6.937 -6.612 374 HA ALA 51 HA ALA 51 -1.348 -4.506 -8.082 375 1HB ALA 51 1HB ALA 51 -0.915 -7.322 -9.102 376 2HB ALA 51 2HB ALA 51 0.348 -6.234 -8.523 377 3HB ALA 51 3HB ALA 51 -0.555 -5.839 -9.985 378 H ASP 52 H ASP 52 -3.438 -7.219 -7.750 379 HA ASP 52 HA ASP 52 -5.195 -6.683 -9.960 380 1HB ASP 52 2HB ASP 52 -4.966 -8.869 -8.719 381 2HB ASP 52 1HB ASP 52 -5.747 -8.097 -7.381 382 H LEU 53 H LEU 53 -5.191 -6.045 -6.518 383 HA LEU 53 HA LEU 53 -7.528 -4.661 -6.199 384 1HB LEU 53 2HB LEU 53 -4.825 -4.296 -4.956 385 2HB LEU 53 1HB LEU 53 -6.228 -3.512 -4.343 386 HG LEU 53 HG LEU 53 -5.658 -6.446 -4.376 387 1HD1 LEU 53 1HD1 LEU 53 -5.993 -4.487 -2.105 388 2HD1 LEU 53 2HD1 LEU 53 -4.460 -5.143 -2.648 389 3HD1 LEU 53 3HD1 LEU 53 -5.672 -6.207 -1.932 390 1HD2 LEU 53 1HD2 LEU 53 -7.727 -6.718 -3.127 391 2HD2 LEU 53 2HD2 LEU 53 -8.051 -6.091 -4.748 392 3HD2 LEU 53 3HD2 LEU 53 -8.087 -5.013 -3.339 393 H ALA 54 H ALA 54 -4.413 -3.512 -7.350 394 HA ALA 54 HA ALA 54 -5.036 -0.785 -7.462 395 1HB ALA 54 1HB ALA 54 -3.071 -0.555 -8.877 396 2HB ALA 54 2HB ALA 54 -3.051 -2.297 -9.149 397 3HB ALA 54 3HB ALA 54 -2.749 -1.653 -7.535 398 H LYS 55 H LYS 55 -5.567 -3.368 -9.792 399 HA LYS 55 HA LYS 55 -6.446 -1.501 -11.811 400 1HB LYS 55 2HB LYS 55 -5.397 -3.705 -12.398 401 2HB LYS 55 1HB LYS 55 -6.820 -4.504 -11.750 402 1HG LYS 55 2HG LYS 55 -8.218 -3.369 -13.390 403 2HG LYS 55 1HG LYS 55 -6.794 -2.579 -14.065 404 1HD LYS 55 2HD LYS 55 -5.877 -4.826 -14.582 405 2HD LYS 55 1HD LYS 55 -7.382 -5.541 -14.010 406 1HE LYS 55 2HE LYS 55 -7.045 -3.639 -16.337 407 2HE LYS 55 1HE LYS 55 -7.430 -5.348 -16.424 408 1HZ LYS 55 1HZ LYS 55 -9.390 -3.995 -16.741 409 2HZ LYS 55 2HZ LYS 55 -9.188 -3.225 -15.276 410 3HZ LYS 55 3HZ LYS 55 -9.565 -4.871 -15.322 411 H LYS 56 H LYS 56 -7.802 -3.384 -9.271 412 HA LYS 56 HA LYS 56 -10.490 -3.447 -10.160 413 1HB LYS 56 2HB LYS 56 -9.361 -4.994 -8.540 414 2HB LYS 56 1HB LYS 56 -9.421 -3.711 -7.352 415 1HG LYS 56 2HG LYS 56 -11.892 -3.719 -7.538 416 2HG LYS 56 1HG LYS 56 -11.771 -5.093 -8.640 417 1HD LYS 56 2HD LYS 56 -10.936 -4.992 -5.733 418 2HD LYS 56 1HD LYS 56 -12.255 -5.930 -6.431 419 1HE LYS 56 2HE LYS 56 -9.297 -6.328 -6.926 420 2HE LYS 56 1HE LYS 56 -10.344 -7.355 -5.964 421 1HZ LYS 56 1HZ LYS 56 -9.875 -8.211 -8.183 422 2HZ LYS 56 2HZ LYS 56 -10.657 -6.913 -8.889 423 3HZ LYS 56 3HZ LYS 56 -11.529 -8.005 -7.952 424 H LEU 57 H LEU 57 -8.653 -1.294 -7.918 425 HA LEU 57 HA LEU 57 -10.964 0.449 -7.892 426 1HB LEU 57 2HB LEU 57 -8.722 0.148 -5.901 427 2HB LEU 57 1HB LEU 57 -9.885 1.445 -5.869 428 HG LEU 57 HG LEU 57 -11.678 -0.341 -5.534 429 1HD1 LEU 57 1HD1 LEU 57 -10.985 -2.491 -4.623 430 2HD1 LEU 57 2HD1 LEU 57 -9.306 -2.107 -5.006 431 3HD1 LEU 57 3HD1 LEU 57 -10.495 -2.273 -6.302 432 1HD2 LEU 57 1HD2 LEU 57 -9.570 -0.044 -3.405 433 2HD2 LEU 57 2HD2 LEU 57 -11.218 -0.620 -3.148 434 3HD2 LEU 57 3HD2 LEU 57 -10.941 1.034 -3.696 435 HA PRO 58 HA PRO 58 -7.952 2.720 -10.403 436 1HB PRO 58 2HB PRO 58 -9.695 3.886 -12.032 437 2HB PRO 58 1HB PRO 58 -9.358 2.156 -12.153 438 1HG PRO 58 2HG PRO 58 -11.691 3.546 -10.920 439 2HG PRO 58 1HG PRO 58 -11.651 2.060 -11.878 440 1HD PRO 58 2HD PRO 58 -11.760 2.176 -9.107 441 2HD PRO 58 1HD PRO 58 -11.242 0.769 -10.058 442 H ASN 59 H ASN 59 -9.549 3.726 -7.886 443 HA ASN 59 HA ASN 59 -9.032 6.595 -8.398 444 1HB ASN 59 2HB ASN 59 -11.486 6.092 -8.266 445 2HB ASN 59 1HB ASN 59 -11.203 5.428 -6.665 446 1HD2 ASN 59 1HD2 ASN 59 -12.658 6.873 -5.743 447 2HD2 ASN 59 2HD2 ASN 59 -12.302 8.543 -5.521 448 H VAL 60 H VAL 60 -7.852 4.016 -6.968 449 HA VAL 60 HA VAL 60 -7.207 5.342 -4.442 450 HB VAL 60 HB VAL 60 -7.361 2.369 -5.011 451 1HG1 VAL 60 1HG1 VAL 60 -5.672 2.868 -3.333 452 2HG1 VAL 60 2HG1 VAL 60 -7.067 2.089 -2.585 453 3HG1 VAL 60 3HG1 VAL 60 -6.834 3.833 -2.427 454 1HG2 VAL 60 1HG2 VAL 60 -9.176 4.173 -3.451 455 2HG2 VAL 60 2HG2 VAL 60 -9.302 2.413 -3.486 456 3HG2 VAL 60 3HG2 VAL 60 -9.564 3.354 -4.962 457 H LEU 61 H LEU 61 -5.070 5.592 -3.958 458 HA LEU 61 HA LEU 61 -3.176 4.882 -6.006 459 1HB LEU 61 2HB LEU 61 -2.957 6.449 -3.451 460 2HB LEU 61 1HB LEU 61 -1.667 6.215 -4.602 461 HG LEU 61 HG LEU 61 -4.232 7.718 -5.099 462 1HD1 LEU 61 1HD1 LEU 61 -1.404 8.702 -4.740 463 2HD1 LEU 61 2HD1 LEU 61 -2.731 8.907 -3.598 464 3HD1 LEU 61 3HD1 LEU 61 -2.791 9.703 -5.171 465 1HD2 LEU 61 1HD2 LEU 61 -3.419 6.666 -7.141 466 2HD2 LEU 61 2HD2 LEU 61 -1.818 7.351 -6.871 467 3HD2 LEU 61 3HD2 LEU 61 -3.188 8.410 -7.206 468 H PHE 62 H PHE 62 -2.246 2.951 -5.850 469 HA PHE 62 HA PHE 62 -1.834 1.796 -3.188 470 1HB PHE 62 2HB PHE 62 -1.714 0.465 -5.874 471 2HB PHE 62 1HB PHE 62 -1.497 -0.325 -4.341 472 HD1 PHE 62 1HD PHE 62 -4.021 1.279 -6.494 473 HD2 PHE 62 2HD PHE 62 -3.317 -0.954 -2.947 474 HE1 PHE 62 1HE PHE 62 -6.423 0.811 -6.317 475 HE2 PHE 62 2HE PHE 62 -5.723 -1.425 -2.761 476 HZ PHE 62 HZ PHE 62 -7.279 -0.541 -4.456 477 H LEU 63 H LEU 63 0.139 1.284 -2.558 478 HA LEU 63 HA LEU 63 2.360 1.962 -4.339 479 1HB LEU 63 2HB LEU 63 2.036 2.816 -1.475 480 2HB LEU 63 1HB LEU 63 3.562 2.834 -2.310 481 HG LEU 63 HG LEU 63 2.529 4.485 -3.928 482 1HD1 LEU 63 1HD1 LEU 63 0.353 4.626 -1.869 483 2HD1 LEU 63 2HD1 LEU 63 0.190 4.050 -3.526 484 3HD1 LEU 63 3HD1 LEU 63 0.576 5.742 -3.217 485 1HD2 LEU 63 1HD2 LEU 63 4.049 5.193 -2.189 486 2HD2 LEU 63 2HD2 LEU 63 2.718 5.288 -1.036 487 3HD2 LEU 63 3HD2 LEU 63 2.773 6.385 -2.419 488 H LYS 64 H LYS 64 4.117 0.671 -4.262 489 HA LYS 64 HA LYS 64 4.221 -1.410 -2.244 490 1HB LYS 64 2HB LYS 64 4.891 -1.278 -5.131 491 2HB LYS 64 1HB LYS 64 5.909 -2.256 -4.105 492 1HG LYS 64 2HG LYS 64 2.909 -2.581 -4.356 493 2HG LYS 64 1HG LYS 64 4.080 -3.528 -5.285 494 1HD LYS 64 2HD LYS 64 5.009 -4.362 -3.139 495 2HD LYS 64 1HD LYS 64 3.762 -3.471 -2.272 496 1HE LYS 64 2HE LYS 64 2.034 -4.790 -3.430 497 2HE LYS 64 1HE LYS 64 3.294 -5.686 -4.277 498 1HZ LYS 64 1HZ LYS 64 4.070 -6.521 -2.087 499 2HZ LYS 64 2HZ LYS 64 2.403 -6.871 -2.238 500 3HZ LYS 64 3HZ LYS 64 2.919 -5.598 -1.338 501 H VAL 65 H VAL 65 5.670 -0.941 -0.788 502 HA VAL 65 HA VAL 65 8.007 0.665 -1.562 503 HB VAL 65 HB VAL 65 6.789 0.257 1.194 504 1HG1 VAL 65 1HG1 VAL 65 8.349 1.982 1.948 505 2HG1 VAL 65 2HG1 VAL 65 9.031 2.072 0.329 506 3HG1 VAL 65 3HG1 VAL 65 9.218 0.596 1.279 507 1HG2 VAL 65 1HG2 VAL 65 6.134 2.617 1.052 508 2HG2 VAL 65 2HG2 VAL 65 5.376 1.655 -0.218 509 3HG2 VAL 65 3HG2 VAL 65 6.754 2.687 -0.596 510 H ASP 66 H ASP 66 9.796 -0.514 -1.775 511 HA ASP 66 HA ASP 66 9.933 -3.129 -0.540 512 1HB ASP 66 2HB ASP 66 10.731 -2.878 -2.876 513 2HB ASP 66 1HB ASP 66 11.929 -1.740 -2.261 514 H THR 67 H THR 67 10.560 -3.332 1.392 515 HA THR 67 HA THR 67 11.819 -1.254 2.861 516 HB THR 67 HB THR 67 11.718 -2.864 4.744 517 HG1 THR 67 1HG THR 67 10.550 -4.859 4.196 518 1HG2 THR 67 1HG2 THR 67 9.767 -1.444 4.184 519 2HG2 THR 67 2HG2 THR 67 9.271 -3.011 4.818 520 3HG2 THR 67 3HG2 THR 67 9.189 -2.698 3.086 521 H ASP 68 H ASP 68 13.089 -3.793 0.991 522 HA ASP 68 HA ASP 68 15.467 -4.272 2.515 523 1HB ASP 68 2HB ASP 68 14.631 -5.894 0.841 524 2HB ASP 68 1HB ASP 68 14.919 -4.723 -0.420 525 H GLU 69 H GLU 69 14.589 -2.356 -0.270 526 HA GLU 69 HA GLU 69 17.031 -0.967 -0.359 527 1HB GLU 69 2HB GLU 69 14.335 -0.581 -1.557 528 2HB GLU 69 1HB GLU 69 15.663 0.500 -1.890 529 1HG GLU 69 2HG GLU 69 16.953 -1.463 -2.732 530 2HG GLU 69 1HG GLU 69 15.527 -2.456 -2.444 531 H LEU 70 H LEU 70 13.681 0.111 0.525 532 HA LEU 70 HA LEU 70 14.810 2.359 1.830 533 1HB LEU 70 2HB LEU 70 12.037 1.440 1.264 534 2HB LEU 70 1HB LEU 70 12.398 2.848 2.223 535 HG LEU 70 HG LEU 70 13.139 2.449 -0.681 536 1HD1 LEU 70 1HD1 LEU 70 10.766 2.770 -0.374 537 2HD1 LEU 70 2HD1 LEU 70 11.495 4.202 -1.105 538 3HD1 LEU 70 3HD1 LEU 70 11.059 4.208 0.606 539 1HD2 LEU 70 1HD2 LEU 70 14.788 3.839 0.469 540 2HD2 LEU 70 2HD2 LEU 70 13.495 4.832 1.136 541 3HD2 LEU 70 3HD2 LEU 70 13.786 4.819 -0.600 542 H LYS 71 H LYS 71 15.916 1.024 3.346 543 HA LYS 71 HA LYS 71 14.572 -0.467 5.355 544 1HB LYS 71 2HB LYS 71 17.293 0.843 5.464 545 2HB LYS 71 1HB LYS 71 16.685 -0.370 6.579 546 1HG LYS 71 2HG LYS 71 16.565 -1.992 4.752 547 2HG LYS 71 1HG LYS 71 17.161 -0.774 3.630 548 1HD LYS 71 2HD LYS 71 18.971 -2.246 4.308 549 2HD LYS 71 1HD LYS 71 19.250 -0.622 4.939 550 1HE LYS 71 2HE LYS 71 18.380 -1.336 7.125 551 2HE LYS 71 1HE LYS 71 18.096 -2.950 6.484 552 1HZ LYS 71 1HZ LYS 71 20.502 -3.139 6.106 553 2HZ LYS 71 2HZ LYS 71 20.148 -2.836 7.730 554 3HZ LYS 71 3HZ LYS 71 20.731 -1.612 6.774 555 H SER 72 H SER 72 15.501 2.885 5.032 556 HA SER 72 HA SER 72 15.155 3.623 7.716 557 1HB SER 72 2HB SER 72 15.120 5.953 6.739 558 2HB SER 72 1HB SER 72 16.524 4.978 6.304 559 HG SER 72 HG SER 72 15.194 6.209 4.613 560 H VAL 73 H VAL 73 12.914 3.286 5.110 561 HA VAL 73 HA VAL 73 10.832 4.782 6.361 562 HB VAL 73 HB VAL 73 10.655 2.678 4.171 563 1HG1 VAL 73 1HG1 VAL 73 8.458 3.655 3.668 564 2HG1 VAL 73 2HG1 VAL 73 8.621 4.725 5.060 565 3HG1 VAL 73 3HG1 VAL 73 8.509 2.981 5.299 566 1HG2 VAL 73 1HG2 VAL 73 10.489 4.594 2.647 567 2HG2 VAL 73 2HG2 VAL 73 12.020 4.602 3.530 568 3HG2 VAL 73 3HG2 VAL 73 10.719 5.690 4.007 569 H ALA 74 H ALA 74 11.464 1.315 5.975 570 HA ALA 74 HA ALA 74 9.334 0.344 7.548 571 1HB ALA 74 1HB ALA 74 10.619 -1.713 7.697 572 2HB ALA 74 2HB ALA 74 12.073 -0.867 7.167 573 3HB ALA 74 3HB ALA 74 10.712 -1.058 6.062 574 H SER 75 H SER 75 12.625 1.327 8.461 575 HA SER 75 HA SER 75 12.359 0.457 11.127 576 1HB SER 75 2HB SER 75 14.524 0.717 9.968 577 2HB SER 75 1HB SER 75 14.274 2.458 9.909 578 HG SER 75 HG SER 75 13.978 1.872 12.414 579 H ASP 76 H ASP 76 11.514 3.407 9.444 580 HA ASP 76 HA ASP 76 11.368 5.107 11.751 581 1HB ASP 76 2HB ASP 76 11.673 5.887 9.398 582 2HB ASP 76 1HB ASP 76 10.019 5.414 9.071 583 H TRP 77 H TRP 77 9.125 3.156 9.904 584 HA TRP 77 HA TRP 77 6.925 4.036 11.502 585 1HB TRP 77 2HB TRP 77 7.092 2.225 9.144 586 2HB TRP 77 1HB TRP 77 5.565 2.550 9.971 587 HD1 TRP 77 HD TRP 77 8.154 4.179 7.681 588 HE1 TRP 77 1HE TRP 77 7.194 6.335 6.721 589 HE3 TRP 77 3HE TRP 77 3.855 4.425 10.426 590 HZ2 TRP 77 2HZ TRP 77 4.897 7.949 7.057 591 HZ3 TRP 77 3HZ TRP 77 2.330 6.312 10.045 592 HH2 TRP 77 HH TRP 77 2.836 8.036 8.396 593 H ALA 78 H ALA 78 9.241 2.104 12.212 594 HA ALA 78 HA ALA 78 9.623 0.474 13.735 595 1HB ALA 78 1HB ALA 78 7.958 0.031 15.459 596 2HB ALA 78 2HB ALA 78 6.711 0.797 14.478 597 3HB ALA 78 3HB ALA 78 8.039 1.761 15.120 598 H ILE 79 H ILE 79 8.642 -0.170 11.053 599 HA ILE 79 HA ILE 79 7.042 -2.524 11.245 600 HB ILE 79 HB ILE 79 8.685 -1.470 8.929 601 1HG1 ILE 79 2HG1 ILE 79 5.746 -1.169 9.570 602 2HG1 ILE 79 1HG1 ILE 79 6.950 0.099 9.696 603 1HG2 ILE 79 1HG2 ILE 79 7.260 -2.914 7.528 604 2HG2 ILE 79 2HG2 ILE 79 6.479 -3.541 8.978 605 3HG2 ILE 79 3HG2 ILE 79 8.190 -3.860 8.692 606 1HD1 ILE 79 1HD1 ILE 79 5.589 0.330 7.696 607 2HD1 ILE 79 2HD1 ILE 79 6.066 -1.280 7.177 608 3HD1 ILE 79 3HD1 ILE 79 7.271 0.006 7.274 609 H GLN 80 H GLN 80 7.847 -4.226 12.213 610 HA GLN 80 HA GLN 80 10.592 -5.056 11.648 611 1HB GLN 80 2HB GLN 80 10.320 -6.457 13.693 612 2HB GLN 80 1HB GLN 80 10.299 -4.722 14.001 613 1HG GLN 80 2HG GLN 80 7.865 -4.803 14.191 614 2HG GLN 80 1HG GLN 80 7.889 -6.529 13.840 615 1HE2 GLN 80 1HE2 GLN 80 8.585 -7.948 15.415 616 2HE2 GLN 80 2HE2 GLN 80 8.752 -7.481 17.063 617 H ALA 81 H ALA 81 7.237 -6.063 11.660 618 HA ALA 81 HA ALA 81 8.046 -8.575 10.402 619 1HB ALA 81 1HB ALA 81 5.864 -9.466 11.087 620 2HB ALA 81 2HB ALA 81 5.453 -7.913 11.805 621 3HB ALA 81 3HB ALA 81 6.765 -8.876 12.483 622 H MET 82 H MET 82 7.430 -8.947 8.370 623 HA MET 82 HA MET 82 5.731 -6.941 7.089 624 1HB MET 82 2HB MET 82 8.204 -8.318 6.020 625 2HB MET 82 1HB MET 82 7.209 -7.193 5.131 626 1HG MET 82 2HG MET 82 7.764 -5.398 6.663 627 2HG MET 82 1HG MET 82 8.681 -6.528 7.657 628 1HE MET 82 1HE MET 82 10.940 -7.624 6.971 629 2HE MET 82 2HE MET 82 11.710 -7.388 5.406 630 3HE MET 82 3HE MET 82 10.209 -8.297 5.512 631 HA PRO 83 HA PRO 83 5.317 -6.856 4.771 632 1HB PRO 83 2HB PRO 83 3.152 -7.000 3.239 633 2HB PRO 83 1HB PRO 83 4.617 -7.898 2.815 634 1HG PRO 83 2HG PRO 83 2.103 -8.859 4.086 635 2HG PRO 83 1HG PRO 83 3.110 -9.645 2.853 636 1HD PRO 83 2HD PRO 83 3.171 -10.210 5.570 637 2HD PRO 83 1HD PRO 83 4.475 -10.586 4.428 638 H THR 84 H THR 84 4.154 -4.977 5.043 639 HA THR 84 HA THR 84 1.951 -5.156 6.941 640 HB THR 84 HB THR 84 3.874 -2.967 6.501 641 HG1 THR 84 1HG THR 84 4.011 -5.232 8.031 642 1HG2 THR 84 1HG2 THR 84 1.745 -2.145 7.349 643 2HG2 THR 84 2HG2 THR 84 2.948 -2.024 8.632 644 3HG2 THR 84 3HG2 THR 84 1.773 -3.336 8.648 645 H PHE 85 H PHE 85 0.048 -4.460 6.111 646 HA PHE 85 HA PHE 85 0.123 -2.905 3.667 647 1HB PHE 85 2HB PHE 85 -2.255 -4.304 4.972 648 2HB PHE 85 1HB PHE 85 -2.074 -3.670 3.365 649 HD1 PHE 85 1HD PHE 85 -1.165 -6.415 5.598 650 HD2 PHE 85 2HD PHE 85 -1.017 -4.921 1.619 651 HE1 PHE 85 1HE PHE 85 -0.493 -8.625 4.812 652 HE2 PHE 85 2HE PHE 85 -0.339 -7.151 0.817 653 HZ PHE 85 HZ PHE 85 -0.076 -9.001 2.426 654 H MET 86 H MET 86 -0.245 -0.808 4.018 655 HA MET 86 HA MET 86 -1.568 -0.031 6.518 656 1HB MET 86 2HB MET 86 0.739 0.653 6.439 657 2HB MET 86 1HB MET 86 0.518 1.361 4.852 658 1HG MET 86 2HG MET 86 -0.920 3.062 5.825 659 2HG MET 86 1HG MET 86 -0.703 2.419 7.437 660 1HE MET 86 1HE MET 86 1.431 5.653 7.596 661 2HE MET 86 2HE MET 86 0.191 4.678 8.381 662 3HE MET 86 3HE MET 86 -0.125 5.400 6.804 663 H PHE 87 H PHE 87 -3.475 0.802 6.268 664 HA PHE 87 HA PHE 87 -4.325 1.685 3.666 665 1HB PHE 87 2HB PHE 87 -5.669 0.462 6.025 666 2HB PHE 87 1HB PHE 87 -6.548 1.204 4.720 667 HD1 PHE 87 1HD PHE 87 -6.805 0.064 2.617 668 HD2 PHE 87 2HD PHE 87 -4.327 -1.585 5.656 669 HE1 PHE 87 1HE PHE 87 -6.707 -2.056 1.377 670 HE2 PHE 87 2HE PHE 87 -4.224 -3.708 4.419 671 HZ PHE 87 HZ PHE 87 -5.413 -3.944 2.275 672 H LEU 88 H LEU 88 -4.529 3.792 3.525 673 HA LEU 88 HA LEU 88 -5.316 5.196 5.930 674 1HB LEU 88 2HB LEU 88 -3.875 6.398 3.539 675 2HB LEU 88 1HB LEU 88 -4.316 7.242 4.991 676 HG LEU 88 HG LEU 88 -2.634 5.718 6.195 677 1HD1 LEU 88 1HD1 LEU 88 -1.763 5.207 3.361 678 2HD1 LEU 88 2HD1 LEU 88 -2.384 4.007 4.497 679 3HD1 LEU 88 3HD1 LEU 88 -0.842 4.813 4.808 680 1HD2 LEU 88 1HD2 LEU 88 -2.230 8.072 5.747 681 2HD2 LEU 88 2HD2 LEU 88 -1.666 7.681 4.121 682 3HD2 LEU 88 3HD2 LEU 88 -0.749 7.140 5.528 683 H LYS 89 H LYS 89 -6.685 7.159 5.294 684 HA LYS 89 HA LYS 89 -8.053 6.801 2.725 685 1HB LYS 89 2HB LYS 89 -9.508 5.921 4.495 686 2HB LYS 89 1HB LYS 89 -9.357 7.454 5.351 687 1HG LYS 89 2HG LYS 89 -10.376 8.584 3.411 688 2HG LYS 89 1HG LYS 89 -10.660 7.010 2.668 689 1HD LYS 89 2HD LYS 89 -12.068 6.394 4.581 690 2HD LYS 89 1HD LYS 89 -11.777 7.987 5.297 691 1HE LYS 89 2HE LYS 89 -12.726 9.002 3.219 692 2HE LYS 89 1HE LYS 89 -13.150 7.380 2.691 693 1HZ LYS 89 1HZ LYS 89 -14.564 7.164 4.658 694 2HZ LYS 89 2HZ LYS 89 -15.021 8.485 3.726 695 3HZ LYS 89 3HZ LYS 89 -14.148 8.725 5.135 696 H GLU 90 H GLU 90 -7.686 8.518 1.596 697 HA GLU 90 HA GLU 90 -7.463 10.540 0.926 698 1HB GLU 90 2HB GLU 90 -9.087 11.149 3.355 699 2HB GLU 90 1HB GLU 90 -8.796 12.330 2.079 700 1HG GLU 90 2HG GLU 90 -9.910 10.860 0.477 701 2HG GLU 90 1HG GLU 90 -10.210 9.679 1.746 702 H GLY 91 H GLY 91 -5.446 9.505 2.758 703 1HA GLY 91 2HA GLY 91 -3.346 10.425 3.355 704 2HA GLY 91 1HA GLY 91 -4.102 12.004 3.460 705 H LYS 92 H LYS 92 -6.083 9.948 5.135 706 HA LYS 92 HA LYS 92 -4.704 10.482 7.676 707 1HB LYS 92 2HB LYS 92 -7.604 9.922 7.048 708 2HB LYS 92 1HB LYS 92 -6.983 10.015 8.683 709 1HG LYS 92 2HG LYS 92 -6.932 12.250 6.654 710 2HG LYS 92 1HG LYS 92 -8.095 12.092 7.972 711 1HD LYS 92 2HD LYS 92 -5.097 12.397 8.298 712 2HD LYS 92 1HD LYS 92 -6.289 13.680 8.510 713 1HE LYS 92 2HE LYS 92 -7.308 12.437 10.360 714 2HE LYS 92 1HE LYS 92 -6.163 11.123 10.129 715 1HZ LYS 92 1HZ LYS 92 -5.460 13.897 10.922 716 2HZ LYS 92 2HZ LYS 92 -4.372 12.617 10.719 717 3HZ LYS 92 3HZ LYS 92 -5.511 12.549 11.940 718 H ILE 93 H ILE 93 -4.024 8.826 8.910 719 HA ILE 93 HA ILE 93 -3.905 6.210 7.775 720 HB ILE 93 HB ILE 93 -3.192 7.152 10.574 721 1HG1 ILE 93 2HG1 ILE 93 -1.391 6.520 8.250 722 2HG1 ILE 93 1HG1 ILE 93 -1.875 8.154 8.638 723 1HG2 ILE 93 1HG2 ILE 93 -1.888 5.073 10.759 724 2HG2 ILE 93 2HG2 ILE 93 -2.504 4.551 9.193 725 3HG2 ILE 93 3HG2 ILE 93 -3.609 4.742 10.553 726 1HD1 ILE 93 1HD1 ILE 93 -0.765 7.901 10.842 727 2HD1 ILE 93 2HD1 ILE 93 0.344 7.680 9.488 728 3HD1 ILE 93 3HD1 ILE 93 -0.262 6.279 10.368 729 H LEU 94 H LEU 94 -5.458 4.663 7.868 730 HA LEU 94 HA LEU 94 -7.371 4.926 10.020 731 1HB LEU 94 2HB LEU 94 -7.532 3.584 7.375 732 2HB LEU 94 1HB LEU 94 -8.729 3.328 8.609 733 HG LEU 94 HG LEU 94 -8.122 5.842 7.067 734 1HD1 LEU 94 1HD1 LEU 94 -10.621 4.226 7.442 735 2HD1 LEU 94 2HD1 LEU 94 -9.597 4.241 6.008 736 3HD1 LEU 94 3HD1 LEU 94 -10.485 5.692 6.481 737 1HD2 LEU 94 1HD2 LEU 94 -8.414 6.525 9.389 738 2HD2 LEU 94 2HD2 LEU 94 -9.898 5.578 9.496 739 3HD2 LEU 94 3HD2 LEU 94 -9.821 6.980 8.432 740 H ASP 95 H ASP 95 -5.835 2.284 8.171 741 HA ASP 95 HA ASP 95 -5.460 0.927 10.672 742 1HB ASP 95 2HB ASP 95 -6.505 -1.087 9.870 743 2HB ASP 95 1HB ASP 95 -7.688 0.159 10.234 744 H LYS 96 H LYS 96 -4.271 -0.943 10.512 745 HA LYS 96 HA LYS 96 -2.918 -1.387 7.985 746 1HB LYS 96 2HB LYS 96 -0.661 -1.494 9.067 747 2HB LYS 96 1HB LYS 96 -1.361 0.111 9.074 748 1HG LYS 96 2HG LYS 96 -0.270 -0.206 11.164 749 2HG LYS 96 1HG LYS 96 -1.998 -0.288 11.484 750 1HD LYS 96 2HD LYS 96 -1.825 -2.773 11.451 751 2HD LYS 96 1HD LYS 96 -0.084 -2.613 11.247 752 1HE LYS 96 2HE LYS 96 0.079 -1.439 13.372 753 2HE LYS 96 1HE LYS 96 -1.665 -1.538 13.580 754 1HZ LYS 96 1HZ LYS 96 -1.457 -3.971 13.622 755 2HZ LYS 96 2HZ LYS 96 -0.594 -3.232 14.841 756 3HZ LYS 96 3HZ LYS 96 0.228 -3.834 13.510 757 H VAL 97 H VAL 97 -1.972 -3.409 7.720 758 HA VAL 97 HA VAL 97 -2.805 -5.462 9.669 759 HB VAL 97 HB VAL 97 -2.876 -5.744 6.641 760 1HG1 VAL 97 1HG1 VAL 97 -3.773 -7.658 8.792 761 2HG1 VAL 97 2HG1 VAL 97 -2.365 -7.842 7.745 762 3HG1 VAL 97 3HG1 VAL 97 -3.988 -7.889 7.055 763 1HG2 VAL 97 1HG2 VAL 97 -4.689 -4.294 7.399 764 2HG2 VAL 97 2HG2 VAL 97 -5.184 -5.512 8.576 765 3HG2 VAL 97 3HG2 VAL 97 -5.326 -5.845 6.852 766 H VAL 98 H VAL 98 -1.154 -6.803 10.244 767 HA VAL 98 HA VAL 98 1.308 -6.643 8.658 768 HB VAL 98 HB VAL 98 0.971 -7.262 11.550 769 1HG1 VAL 98 1HG1 VAL 98 3.446 -7.142 11.656 770 2HG1 VAL 98 2HG1 VAL 98 3.488 -6.928 9.907 771 3HG1 VAL 98 3HG1 VAL 98 2.887 -8.435 10.598 772 1HG2 VAL 98 1HG2 VAL 98 2.086 -4.796 10.224 773 2HG2 VAL 98 2HG2 VAL 98 2.121 -5.106 11.959 774 3HG2 VAL 98 3HG2 VAL 98 0.576 -4.916 11.128 775 H GLY 99 H GLY 99 1.871 -8.422 7.615 776 1HA GLY 99 2HA GLY 99 2.417 -10.736 7.527 777 2HA GLY 99 1HA GLY 99 1.194 -11.037 8.763 778 H ALA 100 H ALA 100 1.705 -11.803 5.721 779 HA ALA 100 HA ALA 100 -0.765 -10.744 4.621 780 1HB ALA 100 1HB ALA 100 1.265 -10.611 3.284 781 2HB ALA 100 2HB ALA 100 0.001 -11.553 2.497 782 3HB ALA 100 3HB ALA 100 1.361 -12.371 3.269 783 H LYS 101 H LYS 101 -2.499 -11.833 5.231 784 HA LYS 101 HA LYS 101 -2.605 -14.490 4.219 785 1HB LYS 101 2HB LYS 101 -3.940 -13.401 6.683 786 2HB LYS 101 1HB LYS 101 -4.502 -14.845 5.857 787 1HG LYS 101 2HG LYS 101 -2.180 -15.822 6.183 788 2HG LYS 101 1HG LYS 101 -1.836 -14.423 7.189 789 1HD LYS 101 2HD LYS 101 -4.047 -16.302 7.628 790 2HD LYS 101 1HD LYS 101 -2.470 -16.450 8.411 791 1HE LYS 101 2HE LYS 101 -2.810 -14.291 9.492 792 2HE LYS 101 1HE LYS 101 -4.334 -14.069 8.638 793 1HZ LYS 101 1HZ LYS 101 -4.709 -14.783 10.881 794 2HZ LYS 101 2HZ LYS 101 -3.768 -16.176 10.654 795 3HZ LYS 101 3HZ LYS 101 -5.207 -15.977 9.807 796 H LYS 102 H LYS 102 -4.585 -14.936 3.156 797 HA LYS 102 HA LYS 102 -5.231 -12.802 1.483 798 1HB LYS 102 2HB LYS 102 -5.058 -15.144 0.826 799 2HB LYS 102 1HB LYS 102 -6.481 -15.502 1.774 800 1HG LYS 102 2HG LYS 102 -7.812 -14.083 0.357 801 2HG LYS 102 1HG LYS 102 -6.376 -13.697 -0.612 802 1HD LYS 102 2HD LYS 102 -6.123 -16.097 -1.121 803 2HD LYS 102 1HD LYS 102 -7.600 -16.428 -0.222 804 1HE LYS 102 2HE LYS 102 -8.858 -15.029 -1.795 805 2HE LYS 102 1HE LYS 102 -7.375 -14.718 -2.698 806 1HZ LYS 102 1HZ LYS 102 -8.649 -16.498 -3.725 807 2HZ LYS 102 2HZ LYS 102 -8.619 -17.367 -2.275 808 3HZ LYS 102 3HZ LYS 102 -7.196 -17.101 -3.104 809 H ASP 103 H ASP 103 -6.863 -14.256 4.217 810 HA ASP 103 HA ASP 103 -9.398 -13.157 3.565 811 1HB ASP 103 2HB ASP 103 -9.251 -15.229 4.852 812 2HB ASP 103 1HB ASP 103 -8.574 -14.334 6.212 813 H GLU 104 H GLU 104 -6.998 -12.066 6.057 814 HA GLU 104 HA GLU 104 -8.709 -10.007 7.021 815 1HB GLU 104 2HB GLU 104 -5.691 -9.887 6.988 816 2HB GLU 104 1HB GLU 104 -6.727 -8.772 7.833 817 1HG GLU 104 2HG GLU 104 -5.819 -10.214 9.423 818 2HG GLU 104 1HG GLU 104 -7.490 -10.719 9.230 819 H LEU 105 H LEU 105 -6.450 -10.067 4.409 820 HA LEU 105 HA LEU 105 -6.391 -7.359 3.815 821 1HB LEU 105 2HB LEU 105 -5.005 -9.196 2.818 822 2HB LEU 105 1HB LEU 105 -6.384 -9.632 1.875 823 HG LEU 105 HG LEU 105 -6.409 -7.543 0.705 824 1HD1 LEU 105 1HD1 LEU 105 -4.588 -5.894 0.998 825 2HD1 LEU 105 2HD1 LEU 105 -3.967 -6.830 2.357 826 3HD1 LEU 105 3HD1 LEU 105 -5.554 -6.067 2.460 827 1HD2 LEU 105 1HD2 LEU 105 -3.663 -8.777 0.757 828 2HD2 LEU 105 2HD2 LEU 105 -4.306 -7.762 -0.533 829 3HD2 LEU 105 3HD2 LEU 105 -5.039 -9.332 -0.198 830 H GLN 106 H GLN 106 -8.404 -9.871 2.486 831 HA GLN 106 HA GLN 106 -10.159 -8.217 0.997 832 1HB GLN 106 2HB GLN 106 -10.800 -10.876 2.263 833 2HB GLN 106 1HB GLN 106 -11.803 -10.060 1.079 834 1HG GLN 106 2HG GLN 106 -9.967 -10.215 -0.540 835 2HG GLN 106 1HG GLN 106 -9.022 -11.117 0.649 836 1HE2 GLN 106 1HE2 GLN 106 -8.961 -12.946 -0.606 837 2HE2 GLN 106 2HE2 GLN 106 -10.369 -13.941 -0.866 838 H SER 107 H SER 107 -10.264 -9.214 4.342 839 HA SER 107 HA SER 107 -12.875 -8.205 4.878 840 1HB SER 107 2HB SER 107 -10.586 -8.648 6.818 841 2HB SER 107 1HB SER 107 -12.292 -8.487 7.241 842 HG SER 107 HG SER 107 -10.964 -10.593 5.907 843 H THR 108 H THR 108 -9.711 -6.829 4.833 844 HA THR 108 HA THR 108 -10.433 -4.387 6.070 845 HB THR 108 HB THR 108 -8.048 -5.106 4.346 846 HG1 THR 108 1HG THR 108 -8.063 -6.357 6.176 847 1HG2 THR 108 1HG2 THR 108 -6.976 -3.173 5.443 848 2HG2 THR 108 2HG2 THR 108 -8.486 -2.799 6.265 849 3HG2 THR 108 3HG2 THR 108 -8.383 -2.687 4.508 850 H ILE 109 H ILE 109 -10.419 -5.629 2.783 851 HA ILE 109 HA ILE 109 -10.775 -3.170 1.443 852 HB ILE 109 HB ILE 109 -11.890 -5.879 0.627 853 1HG1 ILE 109 2HG1 ILE 109 -9.255 -4.588 -0.126 854 2HG1 ILE 109 1HG1 ILE 109 -9.436 -5.921 1.005 855 1HG2 ILE 109 1HG2 ILE 109 -11.842 -4.921 -1.657 856 2HG2 ILE 109 2HG2 ILE 109 -11.290 -3.387 -0.960 857 3HG2 ILE 109 3HG2 ILE 109 -12.888 -4.001 -0.562 858 1HD1 ILE 109 1HD1 ILE 109 -8.697 -6.718 -1.147 859 2HD1 ILE 109 2HD1 ILE 109 -10.081 -5.963 -1.931 860 3HD1 ILE 109 3HD1 ILE 109 -10.328 -7.313 -0.829 861 H ALA 110 H ALA 110 -13.046 -5.558 2.743 862 HA ALA 110 HA ALA 110 -15.406 -4.088 2.140 863 1HB ALA 110 1HB ALA 110 -16.540 -5.654 3.623 864 2HB ALA 110 2HB ALA 110 -14.990 -6.196 4.266 865 3HB ALA 110 3HB ALA 110 -15.410 -6.523 2.586 866 H LYS 111 H LYS 111 -13.213 -4.054 4.806 867 HA LYS 111 HA LYS 111 -14.632 -2.500 6.662 868 1HB LYS 111 2HB LYS 111 -12.350 -3.623 6.865 869 2HB LYS 111 1HB LYS 111 -11.805 -2.242 5.946 870 1HG LYS 111 2HG LYS 111 -12.522 -0.709 7.708 871 2HG LYS 111 1HG LYS 111 -13.031 -2.092 8.686 872 1HD LYS 111 2HD LYS 111 -10.711 -2.948 8.598 873 2HD LYS 111 1HD LYS 111 -10.231 -1.489 7.740 874 1HE LYS 111 2HE LYS 111 -9.675 -1.213 10.066 875 2HE LYS 111 1HE LYS 111 -11.025 -0.147 9.688 876 1HZ LYS 111 1HZ LYS 111 -11.383 -1.264 11.776 877 2HZ LYS 111 2HZ LYS 111 -11.165 -2.757 11.067 878 3HZ LYS 111 3HZ LYS 111 -12.521 -1.838 10.665 879 H HIS 112 H HIS 112 -12.554 -1.657 3.940 880 HA HIS 112 HA HIS 112 -13.008 1.143 4.247 881 1HB HIS 112 2HB HIS 112 -11.428 -0.497 2.322 882 2HB HIS 112 1HB HIS 112 -11.679 1.219 2.067 883 HD1 HIS 112 1HD HIS 112 -10.287 2.805 3.465 884 HD2 HIS 112 2HD HIS 112 -9.904 -1.150 4.599 885 HE1 HIS 112 1HE HIS 112 -8.368 2.766 5.093 886 HE2 HIS 112 2HE HIS 112 -8.481 0.469 6.059 887 H LEU 113 H LEU 113 -15.005 -1.241 2.930 888 HA LEU 113 HA LEU 113 -15.943 0.360 0.802 889 1HB LEU 113 2HB LEU 113 -15.756 -2.194 1.091 890 2HB LEU 113 1HB LEU 113 -17.128 -1.995 2.145 891 HG LEU 113 HG LEU 113 -17.510 -2.889 -0.039 892 1HD1 LEU 113 1HD1 LEU 113 -19.426 -1.938 1.134 893 2HD1 LEU 113 2HD1 LEU 113 -19.603 -1.554 -0.578 894 3HD1 LEU 113 3HD1 LEU 113 -19.027 -0.326 0.548 895 1HD2 LEU 113 1HD2 LEU 113 -16.891 -0.138 -1.056 896 2HD2 LEU 113 2HD2 LEU 113 -17.690 -1.383 -2.015 897 3HD2 LEU 113 3HD2 LEU 113 -16.053 -1.650 -1.414 898 H ALA 114 H ALA 114 -15.961 0.618 3.847 899 HA ALA 114 HA ALA 114 -18.685 1.720 4.173 900 1HB ALA 114 1HB ALA 114 -18.411 1.446 6.599 901 2HB ALA 114 2HB ALA 114 -16.785 0.807 6.339 902 3HB ALA 114 3HB ALA 114 -18.184 -0.084 5.750 Start of MODEL 14 1 H MET 1 H MET 1 -14.327 7.589 -20.562 2 HA MET 1 HA MET 1 -12.331 8.796 -18.919 3 1HB MET 1 2HB MET 1 -13.468 7.661 -17.028 4 2HB MET 1 1HB MET 1 -14.581 8.594 -18.004 5 1HG MET 1 2HG MET 1 -14.243 5.598 -18.142 6 2HG MET 1 1HG MET 1 -15.495 6.430 -17.231 7 1HE MET 1 1HE MET 1 -17.473 4.781 -20.185 8 2HE MET 1 2HE MET 1 -17.354 4.971 -18.436 9 3HE MET 1 3HE MET 1 -16.087 4.121 -19.317 10 H ALA 2 H ALA 2 -10.406 8.018 -18.593 11 HA ALA 2 HA ALA 2 -10.011 5.117 -18.711 12 1HB ALA 2 1HB ALA 2 -8.235 7.172 -20.035 13 2HB ALA 2 2HB ALA 2 -9.330 6.067 -20.862 14 3HB ALA 2 3HB ALA 2 -7.943 5.431 -19.974 15 H SER 3 H SER 3 -8.152 4.388 -17.534 16 HA SER 3 HA SER 3 -6.712 6.268 -15.884 17 1HB SER 3 2HB SER 3 -8.465 4.103 -14.662 18 2HB SER 3 1HB SER 3 -7.339 5.125 -13.772 19 HG SER 3 HG SER 3 -8.995 6.587 -15.306 20 H GLU 4 H GLU 4 -4.841 5.173 -14.860 21 HA GLU 4 HA GLU 4 -4.042 2.900 -16.460 22 1HB GLU 4 2HB GLU 4 -2.495 4.868 -16.057 23 2HB GLU 4 1HB GLU 4 -2.433 4.383 -14.368 24 1HG GLU 4 2HG GLU 4 -0.484 3.607 -15.584 25 2HG GLU 4 1HG GLU 4 -1.458 2.261 -14.991 26 H GLU 5 H GLU 5 -5.047 1.214 -15.747 27 HA GLU 5 HA GLU 5 -5.651 0.805 -12.954 28 1HB GLU 5 2HB GLU 5 -6.336 -0.788 -15.411 29 2HB GLU 5 1HB GLU 5 -7.040 -0.983 -13.810 30 1HG GLU 5 2HG GLU 5 -8.114 1.129 -13.925 31 2HG GLU 5 1HG GLU 5 -7.208 1.582 -15.364 32 H GLY 6 H GLY 6 -4.771 -0.758 -11.691 33 1HA GLY 6 2HA GLY 6 -3.805 -2.822 -11.197 34 2HA GLY 6 1HA GLY 6 -3.440 -3.029 -12.900 35 H GLN 7 H GLN 7 -2.369 -0.005 -11.833 36 HA GLN 7 HA GLN 7 0.280 -1.175 -11.561 37 1HB GLN 7 2HB GLN 7 -0.388 1.591 -12.241 38 2HB GLN 7 1HB GLN 7 1.209 0.933 -12.206 39 1HG GLN 7 2HG GLN 7 -0.918 -0.006 -14.152 40 2HG GLN 7 1HG GLN 7 0.401 1.086 -14.557 41 1HE2 GLN 7 1HE2 GLN 7 1.196 -0.336 -16.112 42 2HE2 GLN 7 2HE2 GLN 7 2.025 -1.788 -15.691 43 H VAL 8 H VAL 8 1.541 -0.623 -10.101 44 HA VAL 8 HA VAL 8 0.492 0.804 -7.738 45 HB VAL 8 HB VAL 8 2.398 -1.557 -7.766 46 1HG1 VAL 8 1HG1 VAL 8 2.089 -1.586 -5.348 47 2HG1 VAL 8 2HG1 VAL 8 1.109 -0.119 -5.452 48 3HG1 VAL 8 3HG1 VAL 8 2.816 -0.078 -5.894 49 1HG2 VAL 8 1HG2 VAL 8 0.140 -2.257 -8.373 50 2HG2 VAL 8 2HG2 VAL 8 -0.505 -1.457 -6.939 51 3HG2 VAL 8 3HG2 VAL 8 0.567 -2.845 -6.765 52 H ILE 9 H ILE 9 1.883 2.357 -6.815 53 HA ILE 9 HA ILE 9 4.216 2.945 -8.389 54 HB ILE 9 HB ILE 9 2.920 4.449 -6.099 55 1HG1 ILE 9 2HG1 ILE 9 2.593 6.218 -7.886 56 2HG1 ILE 9 1HG1 ILE 9 3.120 5.037 -9.057 57 1HG2 ILE 9 1HG2 ILE 9 4.507 6.274 -6.516 58 2HG2 ILE 9 2HG2 ILE 9 5.356 5.257 -7.680 59 3HG2 ILE 9 3HG2 ILE 9 5.320 4.802 -5.977 60 1HD1 ILE 9 1HD1 ILE 9 0.665 4.814 -7.321 61 2HD1 ILE 9 2HD1 ILE 9 1.197 3.623 -8.507 62 3HD1 ILE 9 3HD1 ILE 9 0.695 5.231 -9.036 63 H ALA 10 H ALA 10 6.066 2.009 -7.895 64 HA ALA 10 HA ALA 10 6.503 1.098 -5.161 65 1HB ALA 10 1HB ALA 10 8.003 0.393 -7.680 66 2HB ALA 10 2HB ALA 10 6.740 -0.585 -6.934 67 3HB ALA 10 3HB ALA 10 8.265 -0.316 -6.087 68 H CYS 11 H CYS 11 7.493 2.562 -3.920 69 HA CYS 11 HA CYS 11 9.296 4.459 -5.119 70 1HB CYS 11 2HB CYS 11 8.473 4.206 -2.238 71 2HB CYS 11 1HB CYS 11 9.189 5.548 -3.061 72 HG CYS 11 HG CYS 11 5.951 4.730 -2.944 73 H HIS 12 H HIS 12 11.417 4.202 -4.977 74 HA HIS 12 HA HIS 12 12.436 2.260 -3.023 75 1HB HIS 12 2HB HIS 12 13.598 2.906 -5.741 76 2HB HIS 12 1HB HIS 12 14.290 1.786 -4.572 77 HD1 HIS 12 1HD HIS 12 12.576 -0.299 -3.941 78 HD2 HIS 12 2HD HIS 12 11.899 1.759 -7.489 79 HE1 HIS 12 1HE HIS 12 11.171 -1.812 -5.332 80 HE2 HIS 12 2HE HIS 12 11.125 -0.707 -7.567 81 H THR 13 H THR 13 12.010 5.306 -3.306 82 HA THR 13 HA THR 13 14.504 5.991 -1.992 83 HB THR 13 HB THR 13 14.451 8.241 -3.204 84 HG1 THR 13 1HG THR 13 13.448 7.414 -5.464 85 1HG2 THR 13 1HG2 THR 13 15.060 5.787 -4.867 86 2HG2 THR 13 2HG2 THR 13 16.166 6.566 -3.733 87 3HG2 THR 13 3HG2 THR 13 15.656 7.412 -5.194 88 H VAL 14 H VAL 14 14.282 7.634 -0.444 89 HA VAL 14 HA VAL 14 11.713 7.725 0.711 90 HB VAL 14 HB VAL 14 13.754 7.739 2.096 91 1HG1 VAL 14 1HG1 VAL 14 15.077 9.771 2.415 92 2HG1 VAL 14 2HG1 VAL 14 14.211 10.518 1.070 93 3HG1 VAL 14 3HG1 VAL 14 15.211 9.093 0.793 94 1HG2 VAL 14 1HG2 VAL 14 13.091 9.449 3.746 95 2HG2 VAL 14 2HG2 VAL 14 11.712 8.542 3.128 96 3HG2 VAL 14 3HG2 VAL 14 12.027 10.174 2.540 97 H GLU 15 H GLU 15 13.354 9.831 -1.479 98 HA GLU 15 HA GLU 15 11.798 12.160 -1.085 99 1HB GLU 15 2HB GLU 15 13.896 12.112 -2.405 100 2HB GLU 15 1HB GLU 15 13.076 11.164 -3.624 101 1HG GLU 15 2HG GLU 15 11.528 12.980 -4.060 102 2HG GLU 15 1HG GLU 15 12.309 13.957 -2.823 103 H THR 16 H THR 16 11.489 9.488 -3.388 104 HA THR 16 HA THR 16 9.109 10.348 -4.613 105 HB THR 16 HB THR 16 9.934 7.459 -4.154 106 HG1 THR 16 1HG THR 16 11.644 8.215 -5.203 107 1HG2 THR 16 1HG2 THR 16 7.657 7.763 -5.050 108 2HG2 THR 16 2HG2 THR 16 8.726 7.056 -6.262 109 3HG2 THR 16 3HG2 THR 16 8.303 8.766 -6.346 110 H TRP 17 H TRP 17 9.727 8.327 -1.805 111 HA TRP 17 HA TRP 17 7.148 7.629 -1.071 112 1HB TRP 17 2HB TRP 17 9.026 6.589 -0.013 113 2HB TRP 17 1HB TRP 17 9.656 8.140 0.517 114 HD1 TRP 17 HD TRP 17 9.361 8.493 3.009 115 HE1 TRP 17 1HE TRP 17 7.689 7.765 4.804 116 HE3 TRP 17 3HE TRP 17 6.127 5.853 0.066 117 HZ2 TRP 17 2HZ TRP 17 5.296 6.281 4.957 118 HZ3 TRP 17 3HZ TRP 17 4.172 4.822 1.121 119 HH2 TRP 17 HH TRP 17 3.772 5.040 3.528 120 H ASN 18 H ASN 18 9.068 10.422 -0.005 121 HA ASN 18 HA ASN 18 7.095 11.619 1.596 122 1HB ASN 18 2HB ASN 18 9.534 12.214 1.606 123 2HB ASN 18 1HB ASN 18 9.289 13.031 0.070 124 1HD2 ASN 18 1HD2 ASN 18 8.751 13.101 3.408 125 2HD2 ASN 18 2HD2 ASN 18 8.191 14.730 3.572 126 H GLU 19 H GLU 19 8.020 12.173 -1.769 127 HA GLU 19 HA GLU 19 6.385 14.338 -2.370 128 1HB GLU 19 2HB GLU 19 8.224 13.507 -3.786 129 2HB GLU 19 1HB GLU 19 7.262 12.093 -4.186 130 1HG GLU 19 2HG GLU 19 5.584 13.575 -5.226 131 2HG GLU 19 1HG GLU 19 6.634 14.950 -4.889 132 H GLN 20 H GLN 20 5.720 10.812 -2.771 133 HA GLN 20 HA GLN 20 3.270 11.167 -3.940 134 1HB GLN 20 2HB GLN 20 4.683 8.988 -2.630 135 2HB GLN 20 1HB GLN 20 3.049 8.760 -3.229 136 1HG GLN 20 2HG GLN 20 5.425 9.664 -4.888 137 2HG GLN 20 1HG GLN 20 4.851 8.003 -4.824 138 1HE2 GLN 20 1HE2 GLN 20 4.518 8.020 -7.040 139 2HE2 GLN 20 2HE2 GLN 20 3.215 8.831 -7.812 140 H LEU 21 H LEU 21 4.194 10.885 -0.492 141 HA LEU 21 HA LEU 21 1.638 10.439 0.434 142 1HB LEU 21 2HB LEU 21 4.059 11.683 1.524 143 2HB LEU 21 1HB LEU 21 2.635 11.397 2.480 144 HG LEU 21 HG LEU 21 4.441 9.330 1.212 145 1HD1 LEU 21 1HD1 LEU 21 5.374 10.376 3.196 146 2HD1 LEU 21 2HD1 LEU 21 4.945 8.697 3.512 147 3HD1 LEU 21 3HD1 LEU 21 3.905 9.998 4.100 148 1HD2 LEU 21 1HD2 LEU 21 1.938 8.914 2.861 149 2HD2 LEU 21 2HD2 LEU 21 3.051 7.649 2.343 150 3HD2 LEU 21 3HD2 LEU 21 2.127 8.545 1.144 151 H GLN 22 H GLN 22 3.522 13.386 -0.027 152 HA GLN 22 HA GLN 22 1.610 15.159 0.992 153 1HB GLN 22 2HB GLN 22 3.542 15.780 -1.260 154 2HB GLN 22 1HB GLN 22 2.840 16.927 -0.134 155 1HG GLN 22 2HG GLN 22 4.872 14.793 0.489 156 2HG GLN 22 1HG GLN 22 5.151 16.527 0.412 157 1HE2 GLN 22 1HE2 GLN 22 5.567 14.596 2.540 158 2HE2 GLN 22 2HE2 GLN 22 4.689 15.182 3.908 159 H LYS 23 H LYS 23 2.179 13.770 -2.105 160 HA LYS 23 HA LYS 23 0.296 15.138 -3.676 161 1HB LYS 23 2HB LYS 23 2.257 14.022 -4.578 162 2HB LYS 23 1HB LYS 23 1.728 12.500 -3.930 163 1HG LYS 23 2HG LYS 23 0.241 13.922 -6.126 164 2HG LYS 23 1HG LYS 23 1.597 12.844 -6.434 165 1HD LYS 23 2HD LYS 23 0.295 11.087 -5.149 166 2HD LYS 23 1HD LYS 23 -1.081 12.188 -5.223 167 1HE LYS 23 2HE LYS 23 -1.151 10.555 -7.040 168 2HE LYS 23 1HE LYS 23 -0.952 12.197 -7.655 169 1HZ LYS 23 1HZ LYS 23 0.535 10.522 -8.726 170 2HZ LYS 23 2HZ LYS 23 1.391 10.391 -7.245 171 3HZ LYS 23 3HZ LYS 23 1.312 11.838 -8.059 172 H ALA 24 H ALA 24 0.153 12.004 -1.915 173 HA ALA 24 HA ALA 24 -2.438 11.309 -2.764 174 1HB ALA 24 1HB ALA 24 -2.399 9.699 -0.931 175 2HB ALA 24 2HB ALA 24 -0.996 10.510 -0.237 176 3HB ALA 24 3HB ALA 24 -0.862 9.695 -1.794 177 H ASN 25 H ASN 25 -1.221 13.107 -0.024 178 HA ASN 25 HA ASN 25 -3.625 13.456 1.425 179 1HB ASN 25 2HB ASN 25 -1.213 14.063 2.124 180 2HB ASN 25 1HB ASN 25 -1.431 15.458 1.144 181 1HD2 ASN 25 1HD2 ASN 25 -2.545 13.976 4.100 182 2HD2 ASN 25 2HD2 ASN 25 -3.308 15.383 4.732 183 H GLU 26 H GLU 26 -1.948 15.463 -0.830 184 HA GLU 26 HA GLU 26 -3.777 17.606 -1.033 185 1HB GLU 26 2HB GLU 26 -1.516 17.782 -1.857 186 2HB GLU 26 1HB GLU 26 -1.848 16.591 -3.104 187 1HG GLU 26 2HG GLU 26 -3.448 18.096 -4.133 188 2HG GLU 26 1HG GLU 26 -3.150 19.291 -2.872 189 H SER 27 H SER 27 -3.501 14.682 -3.020 190 HA SER 27 HA SER 27 -5.669 15.489 -4.680 191 1HB SER 27 2HB SER 27 -4.221 12.870 -4.445 192 2HB SER 27 1HB SER 27 -5.337 13.313 -5.740 193 HG SER 27 HG SER 27 -2.853 14.571 -5.111 194 H LYS 28 H LYS 28 -5.443 14.173 -1.619 195 HA LYS 28 HA LYS 28 -6.820 13.172 -0.170 196 1HB LYS 28 2HB LYS 28 -8.833 14.338 -1.989 197 2HB LYS 28 1HB LYS 28 -9.217 13.763 -0.362 198 1HG LYS 28 2HG LYS 28 -7.599 15.422 0.538 199 2HG LYS 28 1HG LYS 28 -7.362 16.030 -1.096 200 1HD LYS 28 2HD LYS 28 -9.938 16.044 0.465 201 2HD LYS 28 1HD LYS 28 -8.903 17.434 0.135 202 1HE LYS 28 2HE LYS 28 -9.296 17.096 -2.282 203 2HE LYS 28 1HE LYS 28 -10.387 15.771 -1.884 204 1HZ LYS 28 1HZ LYS 28 -10.726 18.612 -1.142 205 2HZ LYS 28 2HZ LYS 28 -11.707 17.363 -0.596 206 3HZ LYS 28 3HZ LYS 28 -11.671 17.731 -2.246 207 H THR 29 H THR 29 -5.852 11.598 -2.181 208 HA THR 29 HA THR 29 -7.974 9.827 -3.022 209 HB THR 29 HB THR 29 -5.049 9.376 -3.242 210 HG1 THR 29 1HG THR 29 -6.746 11.197 -4.568 211 1HG2 THR 29 1HG2 THR 29 -7.384 8.582 -4.992 212 2HG2 THR 29 2HG2 THR 29 -6.482 7.531 -3.901 213 3HG2 THR 29 3HG2 THR 29 -5.700 8.196 -5.333 214 H LEU 30 H LEU 30 -8.151 7.805 -2.190 215 HA LEU 30 HA LEU 30 -7.250 7.435 0.475 216 1HB LEU 30 2HB LEU 30 -9.458 6.577 -0.378 217 2HB LEU 30 1HB LEU 30 -8.614 5.460 -1.413 218 HG LEU 30 HG LEU 30 -8.589 5.310 1.626 219 1HD1 LEU 30 1HD1 LEU 30 -10.177 3.473 1.357 220 2HD1 LEU 30 2HD1 LEU 30 -10.256 3.794 -0.375 221 3HD1 LEU 30 3HD1 LEU 30 -10.840 4.999 0.773 222 1HD2 LEU 30 1HD2 LEU 30 -7.791 3.029 1.287 223 2HD2 LEU 30 2HD2 LEU 30 -6.684 4.169 0.518 224 3HD2 LEU 30 3HD2 LEU 30 -7.833 3.255 -0.460 225 H VAL 31 H VAL 31 -5.318 6.318 1.050 226 HA VAL 31 HA VAL 31 -3.830 5.268 -1.228 227 HB VAL 31 HB VAL 31 -3.013 7.499 -0.685 228 1HG1 VAL 31 1HG1 VAL 31 -1.929 8.029 1.435 229 2HG1 VAL 31 2HG1 VAL 31 -2.400 6.454 2.056 230 3HG1 VAL 31 3HG1 VAL 31 -3.642 7.643 1.647 231 1HG2 VAL 31 1HG2 VAL 31 -1.055 5.360 0.144 232 2HG2 VAL 31 2HG2 VAL 31 -0.630 7.000 -0.349 233 3HG2 VAL 31 3HG2 VAL 31 -1.386 5.901 -1.504 234 H VAL 32 H VAL 32 -2.665 3.481 -0.948 235 HA VAL 32 HA VAL 32 -2.697 2.297 1.721 236 HB VAL 32 HB VAL 32 -4.268 1.154 0.099 237 1HG1 VAL 32 1HG1 VAL 32 -3.412 -0.238 -1.625 238 2HG1 VAL 32 2HG1 VAL 32 -1.825 0.525 -1.425 239 3HG1 VAL 32 3HG1 VAL 32 -3.228 1.489 -1.908 240 1HG2 VAL 32 1HG2 VAL 32 -3.367 -0.106 1.995 241 2HG2 VAL 32 2HG2 VAL 32 -1.950 -0.530 1.039 242 3HG2 VAL 32 3HG2 VAL 32 -3.538 -1.140 0.575 243 H VAL 33 H VAL 33 -0.811 1.618 2.452 244 HA VAL 33 HA VAL 33 1.455 1.787 0.610 245 HB VAL 33 HB VAL 33 1.502 2.136 3.616 246 1HG1 VAL 33 1HG1 VAL 33 3.649 2.540 1.537 247 2HG1 VAL 33 2HG1 VAL 33 3.568 1.229 2.706 248 3HG1 VAL 33 3HG1 VAL 33 3.805 2.886 3.261 249 1HG2 VAL 33 1HG2 VAL 33 0.343 3.992 2.509 250 2HG2 VAL 33 2HG2 VAL 33 1.733 4.237 1.449 251 3HG2 VAL 33 3HG2 VAL 33 1.884 4.502 3.190 252 H ASP 34 H ASP 34 2.156 -0.082 0.072 253 HA ASP 34 HA ASP 34 1.851 -2.404 1.803 254 1HB ASP 34 2HB ASP 34 1.042 -2.609 -0.466 255 2HB ASP 34 1HB ASP 34 2.561 -2.021 -1.107 256 H PHE 35 H PHE 35 3.561 -2.652 3.167 257 HA PHE 35 HA PHE 35 6.199 -1.809 2.336 258 1HB PHE 35 2HB PHE 35 5.152 -3.015 4.899 259 2HB PHE 35 1HB PHE 35 6.791 -2.453 4.634 260 HD1 PHE 35 1HD PHE 35 7.224 -0.017 4.364 261 HD2 PHE 35 2HD PHE 35 3.384 -1.511 5.425 262 HE1 PHE 35 1HE PHE 35 6.558 2.224 5.150 263 HE2 PHE 35 2HE PHE 35 2.726 0.719 6.208 264 HZ PHE 35 HZ PHE 35 4.314 2.586 6.071 265 H THR 36 H THR 36 7.452 -3.232 1.316 266 HA THR 36 HA THR 36 7.133 -6.103 1.829 267 HB THR 36 HB THR 36 5.538 -5.541 0.012 268 HG1 THR 36 1HG THR 36 6.462 -6.920 -1.613 269 1HG2 THR 36 1HG2 THR 36 6.361 -4.727 -2.164 270 2HG2 THR 36 2HG2 THR 36 7.978 -4.551 -1.478 271 3HG2 THR 36 3HG2 THR 36 6.656 -3.552 -0.880 272 H ALA 37 H ALA 37 8.776 -7.270 0.378 273 HA ALA 37 HA ALA 37 11.078 -5.685 -0.410 274 1HB ALA 37 1HB ALA 37 11.724 -6.577 1.777 275 2HB ALA 37 2HB ALA 37 12.638 -7.388 0.504 276 3HB ALA 37 3HB ALA 37 11.272 -8.200 1.264 277 H SER 38 H SER 38 12.143 -6.621 -2.210 278 HA SER 38 HA SER 38 10.429 -8.210 -3.809 279 1HB SER 38 2HB SER 38 11.939 -6.507 -4.771 280 2HB SER 38 1HB SER 38 13.335 -7.472 -4.292 281 HG SER 38 HG SER 38 11.287 -8.161 -6.117 282 H TRP 39 H TRP 39 12.811 -9.018 -1.500 283 HA TRP 39 HA TRP 39 13.086 -11.731 -2.543 284 1HB TRP 39 2HB TRP 39 14.828 -11.971 -0.685 285 2HB TRP 39 1HB TRP 39 15.205 -10.860 -1.987 286 HD1 TRP 39 HD TRP 39 15.902 -8.554 -1.313 287 HE1 TRP 39 1HE TRP 39 16.013 -7.186 0.876 288 HE3 TRP 39 3HE TRP 39 13.358 -11.743 1.755 289 HZ2 TRP 39 2HZ TRP 39 15.116 -7.433 3.530 290 HZ3 TRP 39 3HZ TRP 39 13.022 -11.098 4.105 291 HH2 TRP 39 HH TRP 39 13.884 -8.992 4.972 292 H CYS 40 H CYS 40 10.852 -10.315 -0.835 293 HA CYS 40 HA CYS 40 10.702 -12.217 1.360 294 1HB CYS 40 2HB CYS 40 10.261 -9.955 1.953 295 2HB CYS 40 1HB CYS 40 9.086 -9.758 0.664 296 H GLY 41 H GLY 41 9.563 -14.007 1.270 297 1HA GLY 41 2HA GLY 41 8.335 -14.936 -1.065 298 2HA GLY 41 1HA GLY 41 8.234 -15.694 0.513 299 HA PRO 42 HA PRO 42 3.975 -14.678 1.003 300 1HB PRO 42 2HB PRO 42 3.821 -12.952 3.178 301 2HB PRO 42 1HB PRO 42 3.928 -14.710 3.301 302 1HG PRO 42 2HG PRO 42 6.079 -12.654 3.556 303 2HG PRO 42 1HG PRO 42 5.834 -14.143 4.485 304 1HD PRO 42 2HD PRO 42 7.681 -13.993 2.551 305 2HD PRO 42 1HD PRO 42 6.751 -15.478 2.822 306 H CYS 43 H CYS 43 6.128 -11.975 1.152 307 HA CYS 43 HA CYS 43 4.295 -9.916 0.526 308 1HB CYS 43 2HB CYS 43 7.244 -10.076 -0.019 309 2HB CYS 43 1HB CYS 43 6.288 -8.605 0.063 310 H ARG 44 H ARG 44 6.352 -12.044 -1.446 311 HA ARG 44 HA ARG 44 5.641 -10.692 -3.871 312 1HB ARG 44 2HB ARG 44 7.816 -11.921 -3.533 313 2HB ARG 44 1HB ARG 44 6.909 -13.426 -3.562 314 1HG ARG 44 2HG ARG 44 6.172 -12.942 -5.834 315 2HG ARG 44 1HG ARG 44 7.074 -11.429 -5.806 316 1HD ARG 44 2HD ARG 44 9.146 -12.733 -5.425 317 2HD ARG 44 1HD ARG 44 8.217 -14.222 -5.618 318 HE ARG 44 HE ARG 44 7.941 -12.361 -7.773 319 1HH1 ARG 44 1HH1 ARG 44 9.892 -15.096 -6.576 320 2HH1 ARG 44 2HH1 ARG 44 10.539 -15.481 -8.089 321 1HH2 ARG 44 1HH2 ARG 44 8.875 -12.896 -9.864 322 2HH2 ARG 44 2HH2 ARG 44 9.954 -14.194 -10.009 323 H PHE 45 H PHE 45 4.583 -13.458 -2.068 324 HA PHE 45 HA PHE 45 2.876 -14.614 -3.994 325 1HB PHE 45 2HB PHE 45 3.672 -15.836 -2.014 326 2HB PHE 45 1HB PHE 45 2.758 -14.753 -0.980 327 HD1 PHE 45 1HD PHE 45 2.352 -17.243 -3.704 328 HD2 PHE 45 2HD PHE 45 0.563 -15.277 -0.381 329 HE1 PHE 45 1HE PHE 45 0.425 -18.762 -3.847 330 HE2 PHE 45 2HE PHE 45 -1.371 -16.795 -0.520 331 HZ PHE 45 HZ PHE 45 -1.437 -18.542 -2.255 332 H ILE 46 H ILE 46 2.446 -11.902 -1.864 333 HA ILE 46 HA ILE 46 -0.427 -11.988 -2.199 334 HB ILE 46 HB ILE 46 0.667 -11.258 -0.019 335 1HG1 ILE 46 2HG1 ILE 46 -0.930 -9.347 0.371 336 2HG1 ILE 46 1HG1 ILE 46 -1.277 -9.379 -1.353 337 1HG2 ILE 46 1HG2 ILE 46 2.442 -9.878 -0.920 338 2HG2 ILE 46 2HG2 ILE 46 1.436 -8.944 0.186 339 3HG2 ILE 46 3HG2 ILE 46 1.260 -8.735 -1.557 340 1HD1 ILE 46 1HD1 ILE 46 -2.113 -11.642 -1.172 341 2HD1 ILE 46 2HD1 ILE 46 -2.957 -10.584 -0.033 342 3HD1 ILE 46 3HD1 ILE 46 -1.668 -11.659 0.530 343 H ALA 47 H ALA 47 2.140 -10.884 -3.982 344 HA ALA 47 HA ALA 47 1.360 -8.356 -4.836 345 1HB ALA 47 1HB ALA 47 2.960 -10.335 -6.456 346 2HB ALA 47 2HB ALA 47 3.619 -9.276 -5.211 347 3HB ALA 47 3HB ALA 47 2.917 -8.586 -6.674 348 HA PRO 48 HA PRO 48 -0.810 -10.545 -8.750 349 1HB PRO 48 2HB PRO 48 -2.225 -12.761 -7.768 350 2HB PRO 48 1HB PRO 48 -0.845 -12.806 -8.862 351 1HG PRO 48 2HG PRO 48 -0.944 -13.181 -5.907 352 2HG PRO 48 1HG PRO 48 0.102 -13.967 -7.101 353 1HD PRO 48 2HD PRO 48 1.046 -12.060 -5.505 354 2HD PRO 48 1HD PRO 48 1.550 -12.148 -7.206 355 H PHE 49 H PHE 49 -2.137 -10.989 -5.459 356 HA PHE 49 HA PHE 49 -4.740 -10.200 -6.366 357 1HB PHE 49 2HB PHE 49 -4.554 -11.795 -4.499 358 2HB PHE 49 1HB PHE 49 -3.770 -10.560 -3.518 359 HD1 PHE 49 1HD PHE 49 -6.928 -11.461 -5.210 360 HD2 PHE 49 2HD PHE 49 -5.048 -8.943 -2.342 361 HE1 PHE 49 1HE PHE 49 -9.136 -10.670 -4.464 362 HE2 PHE 49 2HE PHE 49 -7.251 -8.153 -1.584 363 HZ PHE 49 HZ PHE 49 -9.298 -9.014 -2.653 364 H PHE 50 H PHE 50 -2.072 -8.632 -4.707 365 HA PHE 50 HA PHE 50 -3.484 -6.288 -4.034 366 1HB PHE 50 2HB PHE 50 -1.263 -6.983 -3.074 367 2HB PHE 50 1HB PHE 50 -0.516 -6.547 -4.600 368 HD1 PHE 50 1HD PHE 50 -2.156 -5.280 -1.580 369 HD2 PHE 50 2HD PHE 50 -0.140 -4.231 -5.173 370 HE1 PHE 50 1HE PHE 50 -1.885 -2.981 -0.752 371 HE2 PHE 50 2HE PHE 50 0.136 -1.937 -4.354 372 HZ PHE 50 HZ PHE 50 -0.734 -1.305 -2.141 373 H ALA 51 H ALA 51 -1.754 -7.308 -6.896 374 HA ALA 51 HA ALA 51 -1.958 -4.844 -8.311 375 1HB ALA 51 1HB ALA 51 -0.307 -6.564 -8.907 376 2HB ALA 51 2HB ALA 51 -1.323 -6.142 -10.286 377 3HB ALA 51 3HB ALA 51 -1.615 -7.640 -9.402 378 H ASP 52 H ASP 52 -4.079 -7.554 -7.861 379 HA ASP 52 HA ASP 52 -5.942 -6.983 -9.980 380 1HB ASP 52 2HB ASP 52 -5.814 -9.175 -8.770 381 2HB ASP 52 1HB ASP 52 -6.432 -8.370 -7.366 382 H LEU 53 H LEU 53 -5.767 -6.345 -6.559 383 HA LEU 53 HA LEU 53 -8.060 -4.941 -6.169 384 1HB LEU 53 2HB LEU 53 -6.662 -5.926 -4.487 385 2HB LEU 53 1HB LEU 53 -5.320 -4.928 -4.969 386 HG LEU 53 HG LEU 53 -6.460 -3.073 -4.396 387 1HD1 LEU 53 1HD1 LEU 53 -8.533 -4.955 -3.207 388 2HD1 LEU 53 2HD1 LEU 53 -8.830 -3.699 -4.418 389 3HD1 LEU 53 3HD1 LEU 53 -8.470 -3.261 -2.743 390 1HD2 LEU 53 1HD2 LEU 53 -6.057 -5.019 -2.145 391 2HD2 LEU 53 2HD2 LEU 53 -6.242 -3.288 -1.876 392 3HD2 LEU 53 3HD2 LEU 53 -4.887 -3.893 -2.833 393 H ALA 54 H ALA 54 -4.801 -3.941 -7.064 394 HA ALA 54 HA ALA 54 -5.201 -1.167 -7.247 395 1HB ALA 54 1HB ALA 54 -3.265 -2.844 -8.847 396 2HB ALA 54 2HB ALA 54 -2.970 -2.204 -7.231 397 3HB ALA 54 3HB ALA 54 -3.166 -1.102 -8.593 398 H LYS 55 H LYS 55 -5.861 -3.701 -9.506 399 HA LYS 55 HA LYS 55 -6.458 -1.969 -11.716 400 1HB LYS 55 2HB LYS 55 -5.676 -4.262 -12.052 401 2HB LYS 55 1HB LYS 55 -7.079 -4.882 -11.207 402 1HG LYS 55 2HG LYS 55 -8.521 -4.029 -12.999 403 2HG LYS 55 1HG LYS 55 -7.096 -3.425 -13.848 404 1HD LYS 55 2HD LYS 55 -6.209 -5.714 -13.971 405 2HD LYS 55 1HD LYS 55 -7.640 -6.307 -13.134 406 1HE LYS 55 2HE LYS 55 -7.824 -6.668 -15.541 407 2HE LYS 55 1HE LYS 55 -9.043 -5.527 -14.979 408 1HZ LYS 55 1HZ LYS 55 -6.480 -4.778 -16.294 409 2HZ LYS 55 2HZ LYS 55 -7.699 -3.713 -15.827 410 3HZ LYS 55 3HZ LYS 55 -7.984 -4.814 -17.041 411 H LYS 56 H LYS 56 -8.182 -3.490 -9.135 412 HA LYS 56 HA LYS 56 -10.801 -3.142 -10.187 413 1HB LYS 56 2HB LYS 56 -10.244 -4.979 -8.696 414 2HB LYS 56 1HB LYS 56 -9.842 -3.844 -7.422 415 1HG LYS 56 2HG LYS 56 -12.159 -3.137 -7.302 416 2HG LYS 56 1HG LYS 56 -12.578 -4.241 -8.618 417 1HD LYS 56 2HD LYS 56 -11.837 -6.137 -7.246 418 2HD LYS 56 1HD LYS 56 -11.433 -5.022 -5.940 419 1HE LYS 56 2HE LYS 56 -13.764 -4.362 -5.764 420 2HE LYS 56 1HE LYS 56 -14.184 -5.419 -7.110 421 1HZ LYS 56 1HZ LYS 56 -13.495 -7.318 -5.788 422 2HZ LYS 56 2HZ LYS 56 -14.655 -6.438 -4.940 423 3HZ LYS 56 3HZ LYS 56 -13.040 -6.320 -4.521 424 H LEU 57 H LEU 57 -8.845 -1.300 -7.800 425 HA LEU 57 HA LEU 57 -11.114 0.482 -7.593 426 1HB LEU 57 2HB LEU 57 -8.889 -0.097 -5.717 427 2HB LEU 57 1HB LEU 57 -10.006 1.239 -5.506 428 HG LEU 57 HG LEU 57 -10.820 -1.620 -5.731 429 1HD1 LEU 57 1HD1 LEU 57 -10.536 0.129 -3.267 430 2HD1 LEU 57 2HD1 LEU 57 -9.503 -1.242 -3.674 431 3HD1 LEU 57 3HD1 LEU 57 -11.202 -1.504 -3.278 432 1HD2 LEU 57 1HD2 LEU 57 -12.343 0.844 -4.918 433 2HD2 LEU 57 2HD2 LEU 57 -12.952 -0.803 -4.797 434 3HD2 LEU 57 3HD2 LEU 57 -12.588 -0.123 -6.377 435 HA PRO 58 HA PRO 58 -8.442 3.407 -9.744 436 1HB PRO 58 2HB PRO 58 -10.404 4.843 -10.808 437 2HB PRO 58 1HB PRO 58 -10.076 3.209 -11.402 438 1HG PRO 58 2HG PRO 58 -12.182 4.115 -9.460 439 2HG PRO 58 1HG PRO 58 -12.359 3.039 -10.857 440 1HD PRO 58 2HD PRO 58 -12.051 2.074 -8.278 441 2HD PRO 58 1HD PRO 58 -11.504 1.227 -9.732 442 H ASN 59 H ASN 59 -10.251 3.665 -6.999 443 HA ASN 59 HA ASN 59 -9.912 6.589 -6.750 444 1HB ASN 59 2HB ASN 59 -12.229 5.730 -6.460 445 2HB ASN 59 1HB ASN 59 -11.655 4.721 -5.143 446 1HD2 ASN 59 1HD2 ASN 59 -11.435 5.623 -3.121 447 2HD2 ASN 59 2HD2 ASN 59 -11.859 7.251 -2.737 448 H VAL 60 H VAL 60 -8.253 3.922 -6.125 449 HA VAL 60 HA VAL 60 -7.256 4.894 -3.555 450 HB VAL 60 HB VAL 60 -7.288 2.021 -4.542 451 1HG1 VAL 60 1HG1 VAL 60 -6.474 1.445 -2.287 452 2HG1 VAL 60 2HG1 VAL 60 -6.322 3.166 -1.921 453 3HG1 VAL 60 3HG1 VAL 60 -5.334 2.444 -3.186 454 1HG2 VAL 60 1HG2 VAL 60 -9.517 2.751 -3.885 455 2HG2 VAL 60 2HG2 VAL 60 -8.893 3.339 -2.350 456 3HG2 VAL 60 3HG2 VAL 60 -8.873 1.611 -2.702 457 H LEU 61 H LEU 61 -5.166 5.292 -3.434 458 HA LEU 61 HA LEU 61 -3.532 4.865 -5.820 459 1HB LEU 61 2HB LEU 61 -3.724 7.161 -4.848 460 2HB LEU 61 1HB LEU 61 -3.012 6.562 -3.368 461 HG LEU 61 HG LEU 61 -0.935 6.045 -4.611 462 1HD1 LEU 61 1HD1 LEU 61 -0.610 6.990 -6.843 463 2HD1 LEU 61 2HD1 LEU 61 -2.314 7.439 -6.899 464 3HD1 LEU 61 3HD1 LEU 61 -1.850 5.737 -6.825 465 1HD2 LEU 61 1HD2 LEU 61 -0.200 8.375 -4.860 466 2HD2 LEU 61 2HD2 LEU 61 -1.147 8.140 -3.392 467 3HD2 LEU 61 3HD2 LEU 61 -1.881 8.910 -4.799 468 H PHE 62 H PHE 62 -2.282 3.118 -5.770 469 HA PHE 62 HA PHE 62 -1.763 1.812 -3.200 470 1HB PHE 62 2HB PHE 62 -1.365 0.761 -5.970 471 2HB PHE 62 1HB PHE 62 -1.275 -0.153 -4.500 472 HD1 PHE 62 1HD PHE 62 -3.709 1.672 -6.633 473 HD2 PHE 62 2HD PHE 62 -3.143 -1.096 -3.470 474 HE1 PHE 62 1HE PHE 62 -6.110 1.129 -6.681 475 HE2 PHE 62 2HE PHE 62 -5.520 -1.634 -3.497 476 HZ PHE 62 HZ PHE 62 -7.017 -0.531 -5.102 477 H LEU 63 H LEU 63 0.275 1.619 -2.505 478 HA LEU 63 HA LEU 63 2.504 2.172 -4.300 479 1HB LEU 63 2HB LEU 63 2.135 3.322 -1.550 480 2HB LEU 63 1HB LEU 63 3.680 3.234 -2.350 481 HG LEU 63 HG LEU 63 2.641 4.691 -4.166 482 1HD1 LEU 63 1HD1 LEU 63 0.549 5.098 -2.058 483 2HD1 LEU 63 2HD1 LEU 63 0.313 4.392 -3.661 484 3HD1 LEU 63 3HD1 LEU 63 0.766 6.094 -3.495 485 1HD2 LEU 63 1HD2 LEU 63 2.962 5.818 -1.394 486 2HD2 LEU 63 2HD2 LEU 63 2.987 6.748 -2.893 487 3HD2 LEU 63 3HD2 LEU 63 4.243 5.554 -2.580 488 H LYS 64 H LYS 64 4.282 0.956 -4.019 489 HA LYS 64 HA LYS 64 4.264 -0.906 -1.841 490 1HB LYS 64 2HB LYS 64 4.891 -1.154 -4.674 491 2HB LYS 64 1HB LYS 64 5.933 -2.024 -3.554 492 1HG LYS 64 2HG LYS 64 4.005 -3.040 -2.528 493 2HG LYS 64 1HG LYS 64 2.943 -2.133 -3.596 494 1HD LYS 64 2HD LYS 64 3.831 -3.336 -5.495 495 2HD LYS 64 1HD LYS 64 4.968 -4.184 -4.428 496 1HE LYS 64 2HE LYS 64 2.126 -4.084 -3.885 497 2HE LYS 64 1HE LYS 64 2.706 -5.384 -4.992 498 1HZ LYS 64 1HZ LYS 64 4.104 -6.092 -3.032 499 2HZ LYS 64 2HZ LYS 64 2.460 -6.065 -2.559 500 3HZ LYS 64 3HZ LYS 64 3.462 -4.856 -2.123 501 H VAL 65 H VAL 65 5.894 -0.505 -0.466 502 HA VAL 65 HA VAL 65 8.241 0.977 -1.452 503 HB VAL 65 HB VAL 65 7.060 1.004 1.348 504 1HG1 VAL 65 1HG1 VAL 65 8.667 2.801 1.792 505 2HG1 VAL 65 2HG1 VAL 65 9.345 2.588 0.180 506 3HG1 VAL 65 3HG1 VAL 65 9.471 1.291 1.369 507 1HG2 VAL 65 1HG2 VAL 65 7.023 3.145 -0.776 508 2HG2 VAL 65 2HG2 VAL 65 6.453 3.335 0.881 509 3HG2 VAL 65 3HG2 VAL 65 5.637 2.217 -0.209 510 H ASP 66 H ASP 66 10.079 -0.416 -1.504 511 HA ASP 66 HA ASP 66 9.779 -2.729 -0.028 512 1HB ASP 66 2HB ASP 66 11.558 -3.504 -1.229 513 2HB ASP 66 1HB ASP 66 10.695 -2.509 -2.387 514 H THR 67 H THR 67 10.516 -3.082 1.756 515 HA THR 67 HA THR 67 11.658 -1.060 3.385 516 HB THR 67 HB THR 67 11.601 -2.855 5.166 517 HG1 THR 67 1HG THR 67 10.308 -4.328 3.087 518 1HG2 THR 67 1HG2 THR 67 9.724 -1.293 4.811 519 2HG2 THR 67 2HG2 THR 67 9.145 -2.892 5.275 520 3HG2 THR 67 3HG2 THR 67 9.061 -2.377 3.590 521 H ASP 68 H ASP 68 13.050 -3.280 1.325 522 HA ASP 68 HA ASP 68 15.450 -3.873 2.781 523 1HB ASP 68 2HB ASP 68 14.628 -5.281 0.920 524 2HB ASP 68 1HB ASP 68 14.876 -3.933 -0.174 525 H GLU 69 H GLU 69 14.566 -1.697 0.120 526 HA GLU 69 HA GLU 69 16.937 -0.205 0.193 527 1HB GLU 69 2HB GLU 69 14.254 -0.032 -1.004 528 2HB GLU 69 1HB GLU 69 15.242 1.370 -1.155 529 1HG GLU 69 2HG GLU 69 15.852 -1.414 -2.121 530 2HG GLU 69 1HG GLU 69 15.348 -0.052 -3.129 531 H LEU 70 H LEU 70 13.547 0.520 1.281 532 HA LEU 70 HA LEU 70 14.545 2.819 2.580 533 1HB LEU 70 2HB LEU 70 11.804 1.727 2.142 534 2HB LEU 70 1HB LEU 70 12.162 3.134 3.100 535 HG LEU 70 HG LEU 70 11.378 3.898 1.007 536 1HD1 LEU 70 1HD1 LEU 70 13.194 5.195 1.857 537 2HD1 LEU 70 2HD1 LEU 70 13.213 5.173 0.098 538 3HD1 LEU 70 3HD1 LEU 70 14.358 4.185 0.998 539 1HD2 LEU 70 1HD2 LEU 70 11.655 1.883 -0.310 540 2HD2 LEU 70 2HD2 LEU 70 13.405 2.103 -0.305 541 3HD2 LEU 70 3HD2 LEU 70 12.374 3.264 -1.142 542 H LYS 71 H LYS 71 15.807 1.553 4.078 543 HA LYS 71 HA LYS 71 14.509 0.091 6.138 544 1HB LYS 71 2HB LYS 71 17.222 1.419 6.106 545 2HB LYS 71 1HB LYS 71 16.646 0.396 7.411 546 1HG LYS 71 2HG LYS 71 17.041 -0.461 4.552 547 2HG LYS 71 1HG LYS 71 18.147 -0.784 5.889 548 1HD LYS 71 2HD LYS 71 16.375 -2.047 7.034 549 2HD LYS 71 1HD LYS 71 15.285 -1.736 5.686 550 1HE LYS 71 2HE LYS 71 16.856 -2.920 4.196 551 2HE LYS 71 1HE LYS 71 17.858 -3.299 5.596 552 1HZ LYS 71 1HZ LYS 71 15.980 -4.531 6.539 553 2HZ LYS 71 2HZ LYS 71 16.390 -5.132 5.020 554 3HZ LYS 71 3HZ LYS 71 15.048 -4.149 5.187 555 H SER 72 H SER 72 15.392 3.470 5.766 556 HA SER 72 HA SER 72 14.724 4.325 8.342 557 1HB SER 72 2HB SER 72 14.509 5.823 5.747 558 2HB SER 72 1HB SER 72 14.550 6.565 7.349 559 HG SER 72 HG SER 72 16.602 6.639 6.863 560 H VAL 73 H VAL 73 12.713 3.714 5.536 561 HA VAL 73 HA VAL 73 10.370 4.849 6.723 562 HB VAL 73 HB VAL 73 10.611 2.943 4.362 563 1HG1 VAL 73 1HG1 VAL 73 8.402 2.868 5.360 564 2HG1 VAL 73 2HG1 VAL 73 8.343 3.661 3.779 565 3HG1 VAL 73 3HG1 VAL 73 8.272 4.624 5.260 566 1HG2 VAL 73 1HG2 VAL 73 11.744 5.082 3.993 567 2HG2 VAL 73 2HG2 VAL 73 10.266 5.940 4.434 568 3HG2 VAL 73 3HG2 VAL 73 10.304 4.939 2.984 569 H ALA 74 H ALA 74 11.667 1.579 6.331 570 HA ALA 74 HA ALA 74 9.607 0.168 7.578 571 1HB ALA 74 1HB ALA 74 12.566 -0.438 7.618 572 2HB ALA 74 2HB ALA 74 11.443 -0.910 6.347 573 3HB ALA 74 3HB ALA 74 11.275 -1.587 7.970 574 H SER 75 H SER 75 12.393 1.849 8.925 575 HA SER 75 HA SER 75 11.899 1.053 11.606 576 1HB SER 75 2HB SER 75 14.147 1.645 10.816 577 2HB SER 75 1HB SER 75 13.607 3.284 10.468 578 HG SER 75 HG SER 75 14.277 2.080 12.845 579 H ASP 76 H ASP 76 10.865 3.757 9.592 580 HA ASP 76 HA ASP 76 10.064 5.408 11.782 581 1HB ASP 76 2HB ASP 76 10.706 6.344 9.569 582 2HB ASP 76 1HB ASP 76 9.241 5.650 8.882 583 H TRP 77 H TRP 77 8.439 3.015 9.832 584 HA TRP 77 HA TRP 77 6.011 3.682 11.241 585 1HB TRP 77 2HB TRP 77 6.427 1.979 8.835 586 2HB TRP 77 1HB TRP 77 4.849 2.251 9.581 587 HD1 TRP 77 HD TRP 77 7.212 3.700 7.103 588 HE1 TRP 77 1HE TRP 77 6.370 5.979 6.293 589 HE3 TRP 77 3HE TRP 77 3.532 4.468 10.544 590 HZ2 TRP 77 2HZ TRP 77 4.401 7.865 7.002 591 HZ3 TRP 77 3HZ TRP 77 2.216 6.535 10.419 592 HH2 TRP 77 HH TRP 77 2.638 8.203 8.682 593 H ALA 78 H ALA 78 8.535 1.807 11.705 594 HA ALA 78 HA ALA 78 9.076 -0.051 12.806 595 1HB ALA 78 1HB ALA 78 7.788 -0.650 14.773 596 2HB ALA 78 2HB ALA 78 6.406 0.271 14.176 597 3HB ALA 78 3HB ALA 78 7.893 1.106 14.630 598 H ILE 79 H ILE 79 8.931 -1.096 10.784 599 HA ILE 79 HA ILE 79 6.692 -2.976 10.498 600 HB ILE 79 HB ILE 79 9.021 -2.469 8.621 601 1HG1 ILE 79 2HG1 ILE 79 7.644 -0.466 8.766 602 2HG1 ILE 79 1HG1 ILE 79 7.385 -1.245 7.210 603 1HG2 ILE 79 1HG2 ILE 79 8.069 -4.696 8.347 604 2HG2 ILE 79 2HG2 ILE 79 7.675 -3.684 6.958 605 3HG2 ILE 79 3HG2 ILE 79 6.455 -4.002 8.189 606 1HD1 ILE 79 1HD1 ILE 79 5.547 -1.360 9.602 607 2HD1 ILE 79 2HD1 ILE 79 5.280 -2.185 8.067 608 3HD1 ILE 79 3HD1 ILE 79 5.294 -0.427 8.124 609 H GLN 80 H GLN 80 6.924 -4.416 11.936 610 HA GLN 80 HA GLN 80 9.461 -5.718 12.461 611 1HB GLN 80 2HB GLN 80 7.630 -5.173 14.189 612 2HB GLN 80 1HB GLN 80 6.693 -6.439 13.436 613 1HG GLN 80 2HG GLN 80 9.299 -6.772 14.925 614 2HG GLN 80 1HG GLN 80 7.703 -7.216 15.498 615 1HE2 GLN 80 1HE2 GLN 80 6.695 -9.046 14.554 616 2HE2 GLN 80 2HE2 GLN 80 7.629 -10.254 13.747 617 H ALA 81 H ALA 81 6.241 -6.508 11.226 618 HA ALA 81 HA ALA 81 7.355 -8.992 10.120 619 1HB ALA 81 1HB ALA 81 5.722 -9.406 11.872 620 2HB ALA 81 2HB ALA 81 5.128 -9.977 10.308 621 3HB ALA 81 3HB ALA 81 4.528 -8.464 10.986 622 H MET 82 H MET 82 7.486 -9.099 8.079 623 HA MET 82 HA MET 82 6.060 -7.210 6.374 624 1HB MET 82 2HB MET 82 8.358 -9.088 5.793 625 2HB MET 82 1HB MET 82 7.695 -7.886 4.717 626 1HG MET 82 2HG MET 82 8.482 -6.095 5.977 627 2HG MET 82 1HG MET 82 8.793 -7.107 7.383 628 1HE MET 82 1HE MET 82 9.631 -8.213 3.770 629 2HE MET 82 2HE MET 82 11.247 -7.555 3.537 630 3HE MET 82 3HE MET 82 9.860 -6.468 3.644 631 HA PRO 83 HA PRO 83 5.400 -6.982 4.437 632 1HB PRO 83 2HB PRO 83 3.197 -6.928 2.940 633 2HB PRO 83 1HB PRO 83 4.642 -7.790 2.396 634 1HG PRO 83 2HG PRO 83 2.125 -8.869 3.576 635 2HG PRO 83 1HG PRO 83 3.130 -9.539 2.281 636 1HD PRO 83 2HD PRO 83 3.185 -10.340 4.954 637 2HD PRO 83 1HD PRO 83 4.459 -10.651 3.761 638 H THR 84 H THR 84 4.245 -5.091 4.964 639 HA THR 84 HA THR 84 1.992 -5.487 6.796 640 HB THR 84 HB THR 84 3.873 -3.216 6.659 641 HG1 THR 84 1HG THR 84 4.160 -5.627 7.883 642 1HG2 THR 84 1HG2 THR 84 1.741 -3.869 8.695 643 2HG2 THR 84 2HG2 THR 84 1.705 -2.546 7.530 644 3HG2 THR 84 3HG2 THR 84 2.879 -2.531 8.847 645 H PHE 85 H PHE 85 0.064 -4.667 6.049 646 HA PHE 85 HA PHE 85 0.216 -2.935 3.731 647 1HB PHE 85 2HB PHE 85 -2.188 -4.420 4.852 648 2HB PHE 85 1HB PHE 85 -1.975 -3.646 3.307 649 HD1 PHE 85 1HD PHE 85 -1.311 -6.621 5.255 650 HD2 PHE 85 2HD PHE 85 -0.640 -4.676 1.532 651 HE1 PHE 85 1HE PHE 85 -0.567 -8.741 4.296 652 HE2 PHE 85 2HE PHE 85 0.108 -6.810 0.559 653 HZ PHE 85 HZ PHE 85 0.148 -8.849 1.956 654 H MET 86 H MET 86 -0.127 -0.884 4.197 655 HA MET 86 HA MET 86 -1.593 -0.231 6.654 656 1HB MET 86 2HB MET 86 0.695 0.456 6.707 657 2HB MET 86 1HB MET 86 0.532 1.219 5.132 658 1HG MET 86 2HG MET 86 -0.905 2.896 6.091 659 2HG MET 86 1HG MET 86 -0.812 2.203 7.689 660 1HE MET 86 1HE MET 86 1.362 5.355 8.117 661 2HE MET 86 2HE MET 86 0.028 4.391 8.755 662 3HE MET 86 3HE MET 86 -0.119 5.177 7.180 663 H PHE 87 H PHE 87 -3.514 0.610 6.365 664 HA PHE 87 HA PHE 87 -4.244 1.580 3.758 665 1HB PHE 87 2HB PHE 87 -5.714 0.411 6.075 666 2HB PHE 87 1HB PHE 87 -6.523 1.172 4.731 667 HD1 PHE 87 1HD PHE 87 -6.696 0.031 2.602 668 HD2 PHE 87 2HD PHE 87 -4.483 -1.694 5.801 669 HE1 PHE 87 1HE PHE 87 -6.626 -2.107 1.393 670 HE2 PHE 87 2HE PHE 87 -4.412 -3.839 4.595 671 HZ PHE 87 HZ PHE 87 -5.482 -4.048 2.390 672 H LEU 88 H LEU 88 -4.358 3.717 3.602 673 HA LEU 88 HA LEU 88 -5.192 5.129 5.982 674 1HB LEU 88 2HB LEU 88 -3.563 6.295 3.695 675 2HB LEU 88 1HB LEU 88 -4.034 7.140 5.138 676 HG LEU 88 HG LEU 88 -2.493 5.490 6.386 677 1HD1 LEU 88 1HD1 LEU 88 -1.526 5.047 3.580 678 2HD1 LEU 88 2HD1 LEU 88 -2.222 3.830 4.654 679 3HD1 LEU 88 3HD1 LEU 88 -0.670 4.587 5.045 680 1HD2 LEU 88 1HD2 LEU 88 -1.970 7.842 6.050 681 2HD2 LEU 88 2HD2 LEU 88 -1.348 7.488 4.439 682 3HD2 LEU 88 3HD2 LEU 88 -0.518 6.856 5.861 683 H LYS 89 H LYS 89 -6.420 7.182 5.283 684 HA LYS 89 HA LYS 89 -7.582 6.946 2.618 685 1HB LYS 89 2HB LYS 89 -9.192 6.008 4.179 686 2HB LYS 89 1HB LYS 89 -9.102 7.476 5.146 687 1HG LYS 89 2HG LYS 89 -10.077 8.755 3.361 688 2HG LYS 89 1HG LYS 89 -10.110 7.336 2.307 689 1HD LYS 89 2HD LYS 89 -11.605 6.233 3.914 690 2HD LYS 89 1HD LYS 89 -11.590 7.691 4.905 691 1HE LYS 89 2HE LYS 89 -12.595 8.952 3.085 692 2HE LYS 89 1HE LYS 89 -12.547 7.524 2.055 693 1HZ LYS 89 1HZ LYS 89 -14.033 6.413 3.575 694 2HZ LYS 89 2HZ LYS 89 -14.739 7.842 3.009 695 3HZ LYS 89 3HZ LYS 89 -14.096 7.775 4.572 696 H GLU 90 H GLU 90 -7.143 8.676 1.563 697 HA GLU 90 HA GLU 90 -6.883 10.692 0.928 698 1HB GLU 90 2HB GLU 90 -8.475 11.371 3.366 699 2HB GLU 90 1HB GLU 90 -8.185 12.512 2.054 700 1HG GLU 90 2HG GLU 90 -9.369 11.054 0.513 701 2HG GLU 90 1HG GLU 90 -9.643 9.876 1.785 702 H GLY 91 H GLY 91 -4.943 9.522 2.709 703 1HA GLY 91 2HA GLY 91 -2.799 10.293 3.337 704 2HA GLY 91 1HA GLY 91 -3.472 11.900 3.544 705 H LYS 92 H LYS 92 -5.676 10.166 5.144 706 HA LYS 92 HA LYS 92 -4.232 10.450 7.669 707 1HB LYS 92 2HB LYS 92 -6.396 11.579 7.551 708 2HB LYS 92 1HB LYS 92 -7.183 10.065 7.119 709 1HG LYS 92 2HG LYS 92 -6.561 9.120 9.292 710 2HG LYS 92 1HG LYS 92 -5.790 10.639 9.723 711 1HD LYS 92 2HD LYS 92 -7.941 11.785 9.556 712 2HD LYS 92 1HD LYS 92 -8.716 10.262 9.099 713 1HE LYS 92 2HE LYS 92 -7.285 10.790 11.703 714 2HE LYS 92 1HE LYS 92 -9.033 10.778 11.484 715 1HZ LYS 92 1HZ LYS 92 -8.893 8.448 10.867 716 2HZ LYS 92 2HZ LYS 92 -8.247 8.700 12.392 717 3HZ LYS 92 3HZ LYS 92 -7.217 8.429 11.102 718 H ILE 93 H ILE 93 -3.676 8.738 8.871 719 HA ILE 93 HA ILE 93 -3.734 6.101 7.832 720 HB ILE 93 HB ILE 93 -3.235 7.022 10.681 721 1HG1 ILE 93 2HG1 ILE 93 -1.243 6.347 8.537 722 2HG1 ILE 93 1HG1 ILE 93 -1.700 7.991 8.901 723 1HG2 ILE 93 1HG2 ILE 93 -3.741 4.637 10.590 724 2HG2 ILE 93 2HG2 ILE 93 -2.034 4.884 10.953 725 3HG2 ILE 93 3HG2 ILE 93 -2.527 4.408 9.330 726 1HD1 ILE 93 1HD1 ILE 93 0.388 7.450 9.969 727 2HD1 ILE 93 2HD1 ILE 93 -0.330 6.034 10.738 728 3HD1 ILE 93 3HD1 ILE 93 -0.846 7.653 11.211 729 H LEU 94 H LEU 94 -5.346 4.573 7.937 730 HA LEU 94 HA LEU 94 -7.409 5.046 9.899 731 1HB LEU 94 2HB LEU 94 -7.445 3.525 7.335 732 2HB LEU 94 1HB LEU 94 -8.735 3.440 8.502 733 HG LEU 94 HG LEU 94 -7.892 5.794 6.820 734 1HD1 LEU 94 1HD1 LEU 94 -9.310 4.208 5.713 735 2HD1 LEU 94 2HD1 LEU 94 -10.233 5.672 6.071 736 3HD1 LEU 94 3HD1 LEU 94 -10.443 4.231 7.058 737 1HD2 LEU 94 1HD2 LEU 94 -9.664 7.086 7.939 738 2HD2 LEU 94 2HD2 LEU 94 -8.366 6.658 9.043 739 3HD2 LEU 94 3HD2 LEU 94 -9.890 5.765 9.089 740 H ASP 95 H ASP 95 -5.847 2.238 8.258 741 HA ASP 95 HA ASP 95 -5.375 1.044 10.788 742 1HB ASP 95 2HB ASP 95 -6.560 -0.953 10.364 743 2HB ASP 95 1HB ASP 95 -7.706 0.334 10.663 744 H LYS 96 H LYS 96 -4.369 -0.992 10.670 745 HA LYS 96 HA LYS 96 -2.876 -1.380 8.151 746 1HB LYS 96 2HB LYS 96 -1.756 -1.464 10.947 747 2HB LYS 96 1HB LYS 96 -0.877 -1.828 9.480 748 1HG LYS 96 2HG LYS 96 -1.060 0.429 8.715 749 2HG LYS 96 1HG LYS 96 -2.117 0.849 10.059 750 1HD LYS 96 2HD LYS 96 0.713 -0.135 10.448 751 2HD LYS 96 1HD LYS 96 0.323 1.566 10.237 752 1HE LYS 96 2HE LYS 96 0.569 1.063 12.610 753 2HE LYS 96 1HE LYS 96 -1.096 1.472 12.266 754 1HZ LYS 96 1HZ LYS 96 -1.668 -0.880 12.451 755 2HZ LYS 96 2HZ LYS 96 -0.823 -0.373 13.802 756 3HZ LYS 96 3HZ LYS 96 -0.033 -1.278 12.641 757 H VAL 97 H VAL 97 -2.268 -3.453 7.674 758 HA VAL 97 HA VAL 97 -3.234 -5.648 9.395 759 HB VAL 97 HB VAL 97 -2.906 -5.656 6.367 760 1HG1 VAL 97 1HG1 VAL 97 -4.059 -7.752 8.203 761 2HG1 VAL 97 2HG1 VAL 97 -2.516 -7.847 7.360 762 3HG1 VAL 97 3HG1 VAL 97 -4.023 -7.836 6.443 763 1HG2 VAL 97 1HG2 VAL 97 -5.348 -5.783 6.255 764 2HG2 VAL 97 2HG2 VAL 97 -4.801 -4.284 7.016 765 3HG2 VAL 97 3HG2 VAL 97 -5.430 -5.601 8.007 766 H VAL 98 H VAL 98 -1.600 -6.899 10.125 767 HA VAL 98 HA VAL 98 1.015 -6.434 8.945 768 HB VAL 98 HB VAL 98 0.850 -5.760 11.260 769 1HG1 VAL 98 1HG1 VAL 98 0.458 -7.379 13.064 770 2HG1 VAL 98 2HG1 VAL 98 0.027 -8.587 11.852 771 3HG1 VAL 98 3HG1 VAL 98 -0.947 -7.128 12.033 772 1HG2 VAL 98 1HG2 VAL 98 2.987 -6.641 10.540 773 2HG2 VAL 98 2HG2 VAL 98 2.466 -8.275 10.950 774 3HG2 VAL 98 3HG2 VAL 98 2.692 -7.078 12.225 775 H GLY 99 H GLY 99 2.002 -7.995 7.873 776 1HA GLY 99 2HA GLY 99 2.759 -10.139 7.476 777 2HA GLY 99 1HA GLY 99 1.512 -10.763 8.557 778 H ALA 100 H ALA 100 2.020 -11.808 5.983 779 HA ALA 100 HA ALA 100 -0.008 -10.716 4.260 780 1HB ALA 100 1HB ALA 100 1.539 -13.302 4.038 781 2HB ALA 100 2HB ALA 100 1.968 -11.768 3.280 782 3HB ALA 100 3HB ALA 100 0.501 -12.614 2.789 783 H LYS 101 H LYS 101 -2.016 -10.934 4.851 784 HA LYS 101 HA LYS 101 -2.903 -13.487 5.939 785 1HB LYS 101 2HB LYS 101 -4.027 -10.719 6.354 786 2HB LYS 101 1HB LYS 101 -4.581 -12.212 7.098 787 1HG LYS 101 2HG LYS 101 -1.856 -10.965 7.594 788 2HG LYS 101 1HG LYS 101 -3.282 -10.901 8.632 789 1HD LYS 101 2HD LYS 101 -3.204 -13.113 9.034 790 2HD LYS 101 1HD LYS 101 -2.003 -13.386 7.756 791 1HE LYS 101 2HE LYS 101 -0.980 -13.438 10.027 792 2HE LYS 101 1HE LYS 101 -0.342 -12.144 9.024 793 1HZ LYS 101 1HZ LYS 101 -0.807 -11.427 11.289 794 2HZ LYS 101 2HZ LYS 101 -2.429 -11.779 11.136 795 3HZ LYS 101 3HZ LYS 101 -1.723 -10.564 10.197 796 H LYS 102 H LYS 102 -3.956 -14.480 4.220 797 HA LYS 102 HA LYS 102 -4.730 -12.999 1.970 798 1HB LYS 102 2HB LYS 102 -3.923 -15.288 1.840 799 2HB LYS 102 1HB LYS 102 -5.311 -15.814 2.781 800 1HG LYS 102 2HG LYS 102 -6.803 -15.150 1.007 801 2HG LYS 102 1HG LYS 102 -5.416 -14.549 0.082 802 1HD LYS 102 2HD LYS 102 -6.110 -16.777 -0.720 803 2HD LYS 102 1HD LYS 102 -4.494 -16.824 -0.017 804 1HE LYS 102 2HE LYS 102 -5.498 -17.650 2.108 805 2HE LYS 102 1HE LYS 102 -7.067 -17.697 1.308 806 1HZ LYS 102 1HZ LYS 102 -6.192 -19.335 -0.231 807 2HZ LYS 102 2HZ LYS 102 -5.937 -19.858 1.353 808 3HZ LYS 102 3HZ LYS 102 -4.666 -19.217 0.471 809 H ASP 103 H ASP 103 -6.564 -14.653 4.502 810 HA ASP 103 HA ASP 103 -9.057 -13.957 3.315 811 1HB ASP 103 2HB ASP 103 -8.420 -15.062 6.052 812 2HB ASP 103 1HB ASP 103 -10.049 -14.834 5.432 813 H GLU 104 H GLU 104 -7.191 -12.732 5.991 814 HA GLU 104 HA GLU 104 -9.136 -10.888 6.849 815 1HB GLU 104 2HB GLU 104 -7.462 -11.659 8.408 816 2HB GLU 104 1HB GLU 104 -6.177 -10.984 7.421 817 1HG GLU 104 2HG GLU 104 -6.823 -8.770 7.932 818 2HG GLU 104 1HG GLU 104 -8.323 -9.309 8.677 819 H LEU 105 H LEU 105 -6.686 -10.676 4.379 820 HA LEU 105 HA LEU 105 -6.477 -7.903 4.185 821 1HB LEU 105 2HB LEU 105 -5.148 -9.633 2.927 822 2HB LEU 105 1HB LEU 105 -6.529 -9.845 1.915 823 HG LEU 105 HG LEU 105 -6.446 -7.553 1.125 824 1HD1 LEU 105 1HD1 LEU 105 -3.952 -7.313 2.815 825 2HD1 LEU 105 2HD1 LEU 105 -5.475 -6.451 3.064 826 3HD1 LEU 105 3HD1 LEU 105 -4.501 -6.122 1.636 827 1HD2 LEU 105 1HD2 LEU 105 -4.408 -7.711 -0.211 828 2HD2 LEU 105 2HD2 LEU 105 -5.225 -9.273 -0.103 829 3HD2 LEU 105 3HD2 LEU 105 -3.796 -8.950 0.881 830 H GLN 106 H GLN 106 -8.557 -10.095 2.420 831 HA GLN 106 HA GLN 106 -10.140 -8.126 1.172 832 1HB GLN 106 2HB GLN 106 -10.995 -10.933 1.894 833 2HB GLN 106 1HB GLN 106 -12.004 -9.837 0.973 834 1HG GLN 106 2HG GLN 106 -10.960 -11.316 -0.564 835 2HG GLN 106 1HG GLN 106 -10.179 -9.751 -0.746 836 1HE2 GLN 106 1HE2 GLN 106 -9.849 -13.012 0.307 837 2HE2 GLN 106 2HE2 GLN 106 -8.127 -12.947 0.522 838 H SER 107 H SER 107 -10.476 -9.502 4.365 839 HA SER 107 HA SER 107 -12.994 -8.348 4.927 840 1HB SER 107 2HB SER 107 -10.765 -9.060 6.859 841 2HB SER 107 1HB SER 107 -12.463 -8.827 7.273 842 HG SER 107 HG SER 107 -11.784 -11.042 6.999 843 H THR 108 H THR 108 -9.709 -7.158 5.184 844 HA THR 108 HA THR 108 -10.437 -4.731 6.495 845 HB THR 108 HB THR 108 -7.926 -5.437 4.954 846 HG1 THR 108 1HG THR 108 -8.229 -6.817 6.735 847 1HG2 THR 108 1HG2 THR 108 -8.195 -2.990 5.278 848 2HG2 THR 108 2HG2 THR 108 -6.880 -3.602 6.272 849 3HG2 THR 108 3HG2 THR 108 -8.416 -3.221 7.007 850 H ILE 109 H ILE 109 -10.055 -5.805 3.197 851 HA ILE 109 HA ILE 109 -10.237 -3.256 1.999 852 HB ILE 109 HB ILE 109 -11.013 -5.966 0.858 853 1HG1 ILE 109 2HG1 ILE 109 -8.467 -4.359 0.551 854 2HG1 ILE 109 1HG1 ILE 109 -8.651 -5.766 1.589 855 1HG2 ILE 109 1HG2 ILE 109 -12.046 -4.125 -0.387 856 2HG2 ILE 109 2HG2 ILE 109 -10.765 -4.886 -1.336 857 3HG2 ILE 109 3HG2 ILE 109 -10.472 -3.341 -0.542 858 1HD1 ILE 109 1HD1 ILE 109 -8.921 -5.735 -1.404 859 2HD1 ILE 109 2HD1 ILE 109 -9.062 -7.156 -0.370 860 3HD1 ILE 109 3HD1 ILE 109 -7.522 -6.298 -0.492 861 H ALA 110 H ALA 110 -12.709 -5.735 2.742 862 HA ALA 110 HA ALA 110 -14.914 -4.261 1.792 863 1HB ALA 110 1HB ALA 110 -16.266 -5.841 3.099 864 2HB ALA 110 2HB ALA 110 -14.821 -6.371 3.955 865 3HB ALA 110 3HB ALA 110 -14.986 -6.683 2.229 866 H LYS 111 H LYS 111 -13.214 -4.271 4.766 867 HA LYS 111 HA LYS 111 -14.822 -2.866 6.558 868 1HB LYS 111 2HB LYS 111 -12.576 -3.993 6.783 869 2HB LYS 111 1HB LYS 111 -11.975 -2.556 6.048 870 1HG LYS 111 2HG LYS 111 -12.678 -1.161 7.888 871 2HG LYS 111 1HG LYS 111 -13.371 -2.572 8.707 872 1HD LYS 111 2HD LYS 111 -11.172 -3.632 8.763 873 2HD LYS 111 1HD LYS 111 -10.478 -2.240 7.940 874 1HE LYS 111 2HE LYS 111 -11.117 -0.833 9.839 875 2HE LYS 111 1HE LYS 111 -11.766 -2.256 10.652 876 1HZ LYS 111 1HZ LYS 111 -8.945 -1.923 9.800 877 2HZ LYS 111 2HZ LYS 111 -9.563 -3.245 10.605 878 3HZ LYS 111 3HZ LYS 111 -9.496 -1.749 11.390 879 H HIS 112 H HIS 112 -12.809 -1.832 3.926 880 HA HIS 112 HA HIS 112 -13.221 0.996 4.442 881 1HB HIS 112 2HB HIS 112 -11.496 -0.534 2.542 882 2HB HIS 112 1HB HIS 112 -11.743 1.188 2.373 883 HD1 HIS 112 1HD HIS 112 -10.213 2.637 3.724 884 HD2 HIS 112 2HD HIS 112 -10.186 -1.278 5.058 885 HE1 HIS 112 1HE HIS 112 -8.306 2.487 5.350 886 HE2 HIS 112 2HE HIS 112 -8.593 0.272 6.403 887 H LEU 113 H LEU 113 -14.046 -1.444 1.875 888 HA LEU 113 HA LEU 113 -15.077 0.544 0.215 889 1HB LEU 113 2HB LEU 113 -14.580 -2.317 0.206 890 2HB LEU 113 1HB LEU 113 -15.750 -1.719 -0.928 891 HG LEU 113 HG LEU 113 -13.574 -1.966 -1.974 892 1HD1 LEU 113 1HD1 LEU 113 -14.938 -0.132 -2.766 893 2HD1 LEU 113 2HD1 LEU 113 -13.229 0.287 -2.856 894 3HD1 LEU 113 3HD1 LEU 113 -14.229 0.951 -1.569 895 1HD2 LEU 113 1HD2 LEU 113 -12.133 -1.749 -0.018 896 2HD2 LEU 113 2HD2 LEU 113 -12.540 -0.040 0.109 897 3HD2 LEU 113 3HD2 LEU 113 -11.623 -0.623 -1.279 898 H ALA 114 H ALA 114 -17.138 0.782 -0.461 899 HA ALA 114 HA ALA 114 -19.281 -0.719 0.761 900 1HB ALA 114 1HB ALA 114 -19.001 1.167 2.305 901 2HB ALA 114 2HB ALA 114 -20.485 1.371 1.374 902 3HB ALA 114 3HB ALA 114 -19.045 2.296 0.954 Start of MODEL 15 1 H MET 1 H MET 1 -14.214 4.038 -17.651 2 HA MET 1 HA MET 1 -12.529 2.734 -15.822 3 1HB MET 1 2HB MET 1 -10.545 2.497 -17.267 4 2HB MET 1 1HB MET 1 -11.818 1.433 -17.812 5 1HG MET 1 2HG MET 1 -11.242 4.110 -19.069 6 2HG MET 1 1HG MET 1 -10.476 2.615 -19.594 7 1HE MET 1 1HE MET 1 -12.833 0.497 -19.328 8 2HE MET 1 2HE MET 1 -11.719 0.634 -20.681 9 3HE MET 1 3HE MET 1 -13.445 0.539 -20.985 10 H ALA 2 H ALA 2 -11.001 4.158 -15.036 11 HA ALA 2 HA ALA 2 -10.987 6.832 -16.204 12 1HB ALA 2 1HB ALA 2 -12.648 6.868 -14.403 13 2HB ALA 2 2HB ALA 2 -11.224 7.804 -13.945 14 3HB ALA 2 3HB ALA 2 -11.467 6.186 -13.288 15 H SER 3 H SER 3 -9.010 7.869 -15.962 16 HA SER 3 HA SER 3 -6.777 8.096 -15.653 17 1HB SER 3 2HB SER 3 -7.242 6.228 -13.300 18 2HB SER 3 1HB SER 3 -5.822 7.246 -13.538 19 HG SER 3 HG SER 3 -7.216 8.265 -12.154 20 H GLU 4 H GLU 4 -4.791 6.264 -14.933 21 HA GLU 4 HA GLU 4 -5.181 4.164 -16.929 22 1HB GLU 4 2HB GLU 4 -3.263 5.706 -17.345 23 2HB GLU 4 1HB GLU 4 -2.579 5.264 -15.794 24 1HG GLU 4 2HG GLU 4 -1.472 4.101 -17.613 25 2HG GLU 4 1HG GLU 4 -2.316 2.966 -16.564 26 H GLU 5 H GLU 5 -2.838 4.325 -14.310 27 HA GLU 5 HA GLU 5 -2.445 3.039 -12.498 28 1HB GLU 5 2HB GLU 5 -5.357 3.665 -12.379 29 2HB GLU 5 1HB GLU 5 -4.619 2.692 -11.117 30 1HG GLU 5 2HG GLU 5 -4.777 5.163 -10.625 31 2HG GLU 5 1HG GLU 5 -3.178 4.461 -10.450 32 H GLY 6 H GLY 6 -3.847 1.116 -11.189 33 1HA GLY 6 2HA GLY 6 -4.354 -1.175 -11.396 34 2HA GLY 6 1HA GLY 6 -4.026 -1.069 -13.129 35 H GLN 7 H GLN 7 -1.778 0.448 -11.217 36 HA GLN 7 HA GLN 7 -0.107 -1.882 -11.023 37 1HB GLN 7 2HB GLN 7 1.852 -0.462 -11.740 38 2HB GLN 7 1HB GLN 7 0.774 -0.976 -13.015 39 1HG GLN 7 2HG GLN 7 1.402 1.288 -13.465 40 2HG GLN 7 1HG GLN 7 -0.258 1.342 -12.892 41 1HE2 GLN 7 1HE2 GLN 7 -0.077 3.474 -12.300 42 2HE2 GLN 7 2HE2 GLN 7 0.824 4.005 -10.933 43 H VAL 8 H VAL 8 1.755 -1.429 -9.652 44 HA VAL 8 HA VAL 8 0.849 0.290 -7.453 45 HB VAL 8 HB VAL 8 2.486 -2.245 -7.225 46 1HG1 VAL 8 1HG1 VAL 8 2.837 -0.736 -5.398 47 2HG1 VAL 8 2HG1 VAL 8 1.817 -2.087 -4.844 48 3HG1 VAL 8 3HG1 VAL 8 1.103 -0.527 -5.199 49 1HG2 VAL 8 1HG2 VAL 8 -0.468 -1.894 -6.712 50 2HG2 VAL 8 2HG2 VAL 8 0.471 -3.354 -6.378 51 3HG2 VAL 8 3HG2 VAL 8 0.256 -2.803 -8.038 52 H ILE 9 H ILE 9 2.325 1.811 -6.794 53 HA ILE 9 HA ILE 9 4.680 2.030 -8.430 54 HB ILE 9 HB ILE 9 3.681 3.895 -6.257 55 1HG1 ILE 9 2HG1 ILE 9 3.274 5.428 -8.272 56 2HG1 ILE 9 1HG1 ILE 9 3.480 4.008 -9.267 57 1HG2 ILE 9 1HG2 ILE 9 5.935 4.297 -8.214 58 2HG2 ILE 9 2HG2 ILE 9 6.081 4.102 -6.470 59 3HG2 ILE 9 3HG2 ILE 9 5.291 5.533 -7.132 60 1HD1 ILE 9 1HD1 ILE 9 1.341 4.379 -7.174 61 2HD1 ILE 9 2HD1 ILE 9 1.559 2.950 -8.185 62 3HD1 ILE 9 3HD1 ILE 9 1.127 4.491 -8.921 63 H ALA 10 H ALA 10 6.488 1.008 -7.904 64 HA ALA 10 HA ALA 10 7.035 0.313 -5.140 65 1HB ALA 10 1HB ALA 10 7.423 -1.382 -6.880 66 2HB ALA 10 2HB ALA 10 8.932 -0.956 -6.069 67 3HB ALA 10 3HB ALA 10 8.579 -0.310 -7.667 68 H CYS 11 H CYS 11 7.934 1.837 -3.917 69 HA CYS 11 HA CYS 11 9.515 3.891 -5.174 70 1HB CYS 11 2HB CYS 11 8.690 3.640 -2.299 71 2HB CYS 11 1HB CYS 11 9.270 5.028 -3.162 72 HG CYS 11 HG CYS 11 6.370 3.578 -4.174 73 H HIS 12 H HIS 12 11.631 3.939 -5.010 74 HA HIS 12 HA HIS 12 12.979 2.135 -3.118 75 1HB HIS 12 2HB HIS 12 13.941 3.289 -5.744 76 2HB HIS 12 1HB HIS 12 14.945 2.367 -4.634 77 HD1 HIS 12 1HD HIS 12 15.050 -0.049 -5.080 78 HD2 HIS 12 2HD HIS 12 11.682 1.681 -6.782 79 HE1 HIS 12 1HE HIS 12 13.929 -1.884 -6.411 80 HE2 HIS 12 2HE HIS 12 12.099 -0.729 -7.639 81 H THR 13 H THR 13 12.010 5.234 -3.435 82 HA THR 13 HA THR 13 14.327 6.250 -1.998 83 HB THR 13 HB THR 13 14.169 8.366 -3.275 84 HG1 THR 13 1HG THR 13 13.045 8.047 -5.404 85 1HG2 THR 13 1HG2 THR 13 15.226 7.595 -5.360 86 2HG2 THR 13 2HG2 THR 13 14.676 5.952 -5.028 87 3HG2 THR 13 3HG2 THR 13 15.856 6.725 -3.961 88 H VAL 14 H VAL 14 13.774 7.988 -0.630 89 HA VAL 14 HA VAL 14 11.060 7.990 0.151 90 HB VAL 14 HB VAL 14 12.904 8.265 1.826 91 1HG1 VAL 14 1HG1 VAL 14 14.421 9.682 0.628 92 2HG1 VAL 14 2HG1 VAL 14 13.982 10.423 2.167 93 3HG1 VAL 14 3HG1 VAL 14 13.247 10.996 0.668 94 1HG2 VAL 14 1HG2 VAL 14 11.851 10.025 3.196 95 2HG2 VAL 14 2HG2 VAL 14 10.692 8.908 2.489 96 3HG2 VAL 14 3HG2 VAL 14 10.897 10.516 1.793 97 H GLU 15 H GLU 15 13.028 9.828 -2.106 98 HA GLU 15 HA GLU 15 11.675 12.124 -2.394 99 1HB GLU 15 2HB GLU 15 12.877 10.323 -4.503 100 2HB GLU 15 1HB GLU 15 12.435 12.003 -4.682 101 1HG GLU 15 2HG GLU 15 14.788 11.970 -4.465 102 2HG GLU 15 1HG GLU 15 14.170 12.529 -2.921 103 H THR 16 H THR 16 11.067 8.950 -4.007 104 HA THR 16 HA THR 16 8.770 9.813 -5.412 105 HB THR 16 HB THR 16 9.537 6.984 -4.586 106 HG1 THR 16 1HG THR 16 10.595 8.741 -6.382 107 1HG2 THR 16 1HG2 THR 16 7.213 7.169 -5.385 108 2HG2 THR 16 2HG2 THR 16 8.218 6.299 -6.546 109 3HG2 THR 16 3HG2 THR 16 7.782 7.980 -6.841 110 H TRP 17 H TRP 17 9.266 8.162 -2.358 111 HA TRP 17 HA TRP 17 6.675 7.622 -1.558 112 1HB TRP 17 2HB TRP 17 8.641 6.771 -0.411 113 2HB TRP 17 1HB TRP 17 9.112 8.406 0.024 114 HD1 TRP 17 HD TRP 17 8.626 8.982 2.437 115 HE1 TRP 17 1HE TRP 17 6.982 8.180 4.237 116 HE3 TRP 17 3HE TRP 17 5.921 5.678 -0.356 117 HZ2 TRP 17 2HZ TRP 17 4.822 6.400 4.449 118 HZ3 TRP 17 3HZ TRP 17 4.078 4.478 0.719 119 HH2 TRP 17 HH TRP 17 3.539 4.834 3.082 120 H ASN 18 H ASN 18 8.595 10.541 -0.929 121 HA ASN 18 HA ASN 18 6.709 12.016 0.538 122 1HB ASN 18 2HB ASN 18 9.146 12.542 0.341 123 2HB ASN 18 1HB ASN 18 8.873 13.045 -1.314 124 1HD2 ASN 18 1HD2 ASN 18 9.946 14.477 0.940 125 2HD2 ASN 18 2HD2 ASN 18 8.989 15.894 1.162 126 H GLU 19 H GLU 19 7.432 11.985 -2.928 127 HA GLU 19 HA GLU 19 5.660 13.962 -3.757 128 1HB GLU 19 2HB GLU 19 7.406 13.101 -5.188 129 2HB GLU 19 1HB GLU 19 6.643 11.521 -5.231 130 1HG GLU 19 2HG GLU 19 4.744 12.452 -6.428 131 2HG GLU 19 1HG GLU 19 5.467 14.057 -6.345 132 H GLN 20 H GLN 20 5.111 10.405 -3.512 133 HA GLN 20 HA GLN 20 2.561 10.507 -4.534 134 1HB GLN 20 2HB GLN 20 4.086 8.615 -2.915 135 2HB GLN 20 1HB GLN 20 2.466 8.248 -3.471 136 1HG GLN 20 2HG GLN 20 4.884 8.835 -5.207 137 2HG GLN 20 1HG GLN 20 4.210 7.237 -4.931 138 1HE2 GLN 20 1HE2 GLN 20 3.860 6.910 -7.110 139 2HE2 GLN 20 2HE2 GLN 20 2.612 7.710 -7.998 140 H LEU 21 H LEU 21 3.794 10.663 -1.134 141 HA LEU 21 HA LEU 21 1.307 10.505 0.043 142 1HB LEU 21 2HB LEU 21 3.883 11.709 0.747 143 2HB LEU 21 1HB LEU 21 2.536 11.697 1.846 144 HG LEU 21 HG LEU 21 4.103 9.328 0.806 145 1HD1 LEU 21 1HD1 LEU 21 4.714 9.029 3.153 146 2HD1 LEU 21 2HD1 LEU 21 3.807 10.484 3.570 147 3HD1 LEU 21 3HD1 LEU 21 5.230 10.597 2.534 148 1HD2 LEU 21 1HD2 LEU 21 1.740 8.706 1.005 149 2HD2 LEU 21 2HD2 LEU 21 1.704 9.344 2.648 150 3HD2 LEU 21 3HD2 LEU 21 2.699 7.937 2.272 151 H GLN 22 H GLN 22 3.264 13.252 -1.007 152 HA GLN 22 HA GLN 22 1.546 15.258 -0.156 153 1HB GLN 22 2HB GLN 22 3.765 15.756 -1.098 154 2HB GLN 22 1HB GLN 22 3.209 15.228 -2.682 155 1HG GLN 22 2HG GLN 22 1.482 17.016 -2.608 156 2HG GLN 22 1HG GLN 22 2.207 17.593 -1.116 157 1HE2 GLN 22 1HE2 GLN 22 1.857 18.943 -3.660 158 2HE2 GLN 22 2HE2 GLN 22 3.439 19.386 -4.170 159 H LYS 23 H LYS 23 1.670 13.455 -3.144 160 HA LYS 23 HA LYS 23 -0.403 14.707 -4.514 161 1HB LYS 23 2HB LYS 23 1.323 13.218 -5.477 162 2HB LYS 23 1HB LYS 23 0.555 11.861 -4.687 163 1HG LYS 23 2HG LYS 23 -1.386 12.083 -6.088 164 2HG LYS 23 1HG LYS 23 -0.732 13.573 -6.788 165 1HD LYS 23 2HD LYS 23 1.193 12.357 -7.623 166 2HD LYS 23 1HD LYS 23 0.557 10.862 -6.944 167 1HE LYS 23 2HE LYS 23 -1.345 10.979 -8.429 168 2HE LYS 23 1HE LYS 23 -0.787 12.537 -9.052 169 1HZ LYS 23 1HZ LYS 23 -0.159 10.696 -10.522 170 2HZ LYS 23 2HZ LYS 23 0.736 9.992 -9.277 171 3HZ LYS 23 3HZ LYS 23 1.179 11.485 -9.888 172 H ALA 24 H ALA 24 -0.436 11.932 -2.269 173 HA ALA 24 HA ALA 24 -3.196 11.414 -2.629 174 1HB ALA 24 1HB ALA 24 -1.380 10.702 -0.325 175 2HB ALA 24 2HB ALA 24 -1.632 9.728 -1.772 176 3HB ALA 24 3HB ALA 24 -2.966 10.000 -0.645 177 H ASN 25 H ASN 25 -1.343 13.398 -0.417 178 HA ASN 25 HA ASN 25 -3.440 14.025 1.400 179 1HB ASN 25 2HB ASN 25 -0.896 14.286 1.712 180 2HB ASN 25 1HB ASN 25 -1.051 15.697 0.735 181 1HD2 ASN 25 1HD2 ASN 25 -0.305 15.390 3.588 182 2HD2 ASN 25 2HD2 ASN 25 -1.323 16.496 4.445 183 H GLU 26 H GLU 26 -1.885 15.742 -1.126 184 HA GLU 26 HA GLU 26 -3.320 18.145 -1.110 185 1HB GLU 26 2HB GLU 26 -1.110 17.771 -2.130 186 2HB GLU 26 1HB GLU 26 -1.866 16.833 -3.394 187 1HG GLU 26 2HG GLU 26 -2.993 18.790 -4.220 188 2HG GLU 26 1HG GLU 26 -2.369 19.744 -2.872 189 H SER 27 H SER 27 -3.860 15.193 -3.026 190 HA SER 27 HA SER 27 -6.182 16.414 -4.253 191 1HB SER 27 2HB SER 27 -4.640 15.022 -5.615 192 2HB SER 27 1HB SER 27 -5.027 13.647 -4.584 193 HG SER 27 HG SER 27 -6.383 13.356 -6.183 194 H LYS 28 H LYS 28 -5.621 15.118 -1.331 195 HA LYS 28 HA LYS 28 -6.730 14.075 0.297 196 1HB LYS 28 2HB LYS 28 -9.027 15.188 -1.183 197 2HB LYS 28 1HB LYS 28 -9.198 14.513 0.438 198 1HG LYS 28 2HG LYS 28 -7.490 16.221 1.180 199 2HG LYS 28 1HG LYS 28 -7.651 16.956 -0.415 200 1HD LYS 28 2HD LYS 28 -9.863 16.573 1.600 201 2HD LYS 28 1HD LYS 28 -9.048 18.090 1.245 202 1HE LYS 28 2HE LYS 28 -9.891 18.012 -1.052 203 2HE LYS 28 1HE LYS 28 -10.679 16.472 -0.711 204 1HZ LYS 28 1HZ LYS 28 -12.229 18.319 -0.558 205 2HZ LYS 28 2HZ LYS 28 -11.269 19.034 0.646 206 3HZ LYS 28 3HZ LYS 28 -12.031 17.575 0.947 207 H THR 29 H THR 29 -5.980 12.392 -1.598 208 HA THR 29 HA THR 29 -8.184 10.489 -1.898 209 HB THR 29 HB THR 29 -5.463 10.232 -3.023 210 HG1 THR 29 1HG THR 29 -7.456 12.035 -3.692 211 1HG2 THR 29 1HG2 THR 29 -6.643 8.902 -4.765 212 2HG2 THR 29 2HG2 THR 29 -8.159 9.204 -3.917 213 3HG2 THR 29 3HG2 THR 29 -6.878 8.275 -3.134 214 H LEU 30 H LEU 30 -7.879 8.425 -0.969 215 HA LEU 30 HA LEU 30 -6.028 8.400 1.059 216 1HB LEU 30 2HB LEU 30 -7.080 6.433 1.718 217 2HB LEU 30 1HB LEU 30 -8.236 7.739 1.593 218 HG LEU 30 HG LEU 30 -9.270 5.826 1.100 219 1HD1 LEU 30 1HD1 LEU 30 -8.671 7.003 -1.610 220 2HD1 LEU 30 2HD1 LEU 30 -9.956 7.474 -0.498 221 3HD1 LEU 30 3HD1 LEU 30 -10.004 5.897 -1.285 222 1HD2 LEU 30 1HD2 LEU 30 -7.569 4.226 0.827 223 2HD2 LEU 30 2HD2 LEU 30 -7.053 4.933 -0.700 224 3HD2 LEU 30 3HD2 LEU 30 -8.601 4.093 -0.602 225 H VAL 31 H VAL 31 -4.533 6.773 1.282 226 HA VAL 31 HA VAL 31 -3.736 5.515 -1.232 227 HB VAL 31 HB VAL 31 -2.373 7.506 -0.909 228 1HG1 VAL 31 1HG1 VAL 31 -0.707 7.654 0.912 229 2HG1 VAL 31 2HG1 VAL 31 -1.542 6.316 1.721 230 3HG1 VAL 31 3HG1 VAL 31 -2.385 7.838 1.394 231 1HG2 VAL 31 1HG2 VAL 31 -0.780 4.988 -0.489 232 2HG2 VAL 31 2HG2 VAL 31 -0.129 6.513 -1.087 233 3HG2 VAL 31 3HG2 VAL 31 -1.330 5.631 -2.033 234 H VAL 32 H VAL 32 -2.968 3.495 -1.144 235 HA VAL 32 HA VAL 32 -2.893 2.210 1.493 236 HB VAL 32 HB VAL 32 -3.460 1.004 -1.184 237 1HG1 VAL 32 1HG1 VAL 32 -3.606 -0.225 1.583 238 2HG1 VAL 32 2HG1 VAL 32 -2.409 -0.588 0.342 239 3HG1 VAL 32 3HG1 VAL 32 -4.100 -1.031 0.093 240 1HG2 VAL 32 1HG2 VAL 32 -5.369 1.600 1.073 241 2HG2 VAL 32 2HG2 VAL 32 -5.788 0.705 -0.391 242 3HG2 VAL 32 3HG2 VAL 32 -5.315 2.399 -0.498 243 H VAL 33 H VAL 33 -0.966 1.500 2.081 244 HA VAL 33 HA VAL 33 1.047 1.248 -0.041 245 HB VAL 33 HB VAL 33 1.543 2.238 2.774 246 1HG1 VAL 33 1HG1 VAL 33 3.795 2.741 1.967 247 2HG1 VAL 33 2HG1 VAL 33 3.390 2.030 0.404 248 3HG1 VAL 33 3HG1 VAL 33 3.436 1.019 1.847 249 1HG2 VAL 33 1HG2 VAL 33 1.516 3.745 0.154 250 2HG2 VAL 33 2HG2 VAL 33 1.988 4.414 1.716 251 3HG2 VAL 33 3HG2 VAL 33 0.326 3.888 1.449 252 H ASP 34 H ASP 34 2.191 -0.524 -0.121 253 HA ASP 34 HA ASP 34 1.861 -2.616 1.923 254 1HB ASP 34 2HB ASP 34 1.076 -3.074 -0.393 255 2HB ASP 34 1HB ASP 34 2.679 -2.702 -0.991 256 H PHE 35 H PHE 35 3.662 -2.556 3.265 257 HA PHE 35 HA PHE 35 6.226 -1.767 2.145 258 1HB PHE 35 2HB PHE 35 5.388 -2.428 4.973 259 2HB PHE 35 1HB PHE 35 6.938 -1.803 4.462 260 HD1 PHE 35 1HD PHE 35 3.411 -0.964 5.030 261 HD2 PHE 35 2HD PHE 35 7.230 0.529 3.889 262 HE1 PHE 35 1HE PHE 35 2.601 1.336 5.352 263 HE2 PHE 35 2HE PHE 35 6.424 2.833 4.209 264 HZ PHE 35 HZ PHE 35 4.113 3.239 4.942 265 H THR 36 H THR 36 7.493 -3.380 1.403 266 HA THR 36 HA THR 36 7.431 -5.994 2.636 267 HB THR 36 HB THR 36 5.429 -5.904 1.146 268 HG1 THR 36 1HG THR 36 5.702 -7.827 0.585 269 1HG2 THR 36 1HG2 THR 36 5.758 -5.944 -1.290 270 2HG2 THR 36 2HG2 THR 36 7.480 -5.641 -1.058 271 3HG2 THR 36 3HG2 THR 36 6.297 -4.418 -0.584 272 H ALA 37 H ALA 37 8.778 -7.493 1.095 273 HA ALA 37 HA ALA 37 10.842 -6.044 -0.364 274 1HB ALA 37 1HB ALA 37 12.619 -7.420 0.619 275 2HB ALA 37 2HB ALA 37 11.437 -8.209 1.655 276 3HB ALA 37 3HB ALA 37 11.792 -6.493 1.874 277 H SER 38 H SER 38 11.651 -7.220 -2.113 278 HA SER 38 HA SER 38 9.824 -9.106 -3.159 279 1HB SER 38 2HB SER 38 11.083 -7.531 -4.602 280 2HB SER 38 1HB SER 38 12.575 -8.379 -4.202 281 HG SER 38 HG SER 38 10.356 -9.280 -5.692 282 H TRP 39 H TRP 39 12.685 -9.460 -1.259 283 HA TRP 39 HA TRP 39 13.069 -12.190 -2.039 284 1HB TRP 39 2HB TRP 39 14.787 -12.261 -0.155 285 2HB TRP 39 1HB TRP 39 15.080 -11.100 -1.426 286 HD1 TRP 39 HD TRP 39 15.564 -8.748 -0.699 287 HE1 TRP 39 1HE TRP 39 15.552 -7.435 1.524 288 HE3 TRP 39 3HE TRP 39 13.267 -12.217 2.256 289 HZ2 TRP 39 2HZ TRP 39 14.662 -7.834 4.180 290 HZ3 TRP 39 3HZ TRP 39 12.870 -11.683 4.622 291 HH2 TRP 39 HH TRP 39 13.549 -9.537 5.564 292 H CYS 40 H CYS 40 10.665 -10.955 -0.404 293 HA CYS 40 HA CYS 40 10.479 -13.045 1.610 294 1HB CYS 40 2HB CYS 40 9.899 -10.832 2.350 295 2HB CYS 40 1HB CYS 40 8.782 -10.611 1.017 296 H GLY 41 H GLY 41 9.376 -14.847 1.249 297 1HA GLY 41 2HA GLY 41 8.414 -15.573 -1.298 298 2HA GLY 41 1HA GLY 41 8.188 -16.491 0.175 299 HA PRO 42 HA PRO 42 3.822 -15.677 0.379 300 1HB PRO 42 2HB PRO 42 4.087 -14.027 2.841 301 2HB PRO 42 1HB PRO 42 3.120 -15.482 2.575 302 1HG PRO 42 2HG PRO 42 5.341 -15.595 4.032 303 2HG PRO 42 1HG PRO 42 4.926 -16.904 2.908 304 1HD PRO 42 2HD PRO 42 6.927 -14.700 2.600 305 2HD PRO 42 1HD PRO 42 7.054 -16.408 2.133 306 H CYS 43 H CYS 43 5.844 -12.963 1.027 307 HA CYS 43 HA CYS 43 4.044 -10.845 0.573 308 1HB CYS 43 2HB CYS 43 7.013 -10.997 0.193 309 2HB CYS 43 1HB CYS 43 6.082 -9.515 0.337 310 H ARG 44 H ARG 44 6.033 -12.794 -1.550 311 HA ARG 44 HA ARG 44 5.596 -11.158 -3.863 312 1HB ARG 44 2HB ARG 44 7.617 -12.531 -3.584 313 2HB ARG 44 1HB ARG 44 6.628 -13.980 -3.599 314 1HG ARG 44 2HG ARG 44 6.002 -13.552 -5.908 315 2HG ARG 44 1HG ARG 44 6.946 -12.056 -5.895 316 1HD ARG 44 2HD ARG 44 8.943 -13.316 -5.396 317 2HD ARG 44 1HD ARG 44 8.024 -14.823 -5.425 318 HE ARG 44 HE ARG 44 7.595 -13.630 -7.847 319 1HH1 ARG 44 1HH1 ARG 44 10.421 -14.684 -6.023 320 2HH1 ARG 44 2HH1 ARG 44 11.348 -15.115 -7.372 321 1HH2 ARG 44 1HH2 ARG 44 8.890 -14.203 -9.780 322 2HH2 ARG 44 2HH2 ARG 44 10.458 -14.837 -9.534 323 H PHE 45 H PHE 45 4.112 -13.928 -2.386 324 HA PHE 45 HA PHE 45 2.465 -14.641 -4.594 325 1HB PHE 45 2HB PHE 45 2.994 -16.299 -2.893 326 2HB PHE 45 1HB PHE 45 2.215 -15.322 -1.657 327 HD1 PHE 45 1HD PHE 45 -0.095 -15.501 -1.251 328 HD2 PHE 45 2HD PHE 45 1.578 -17.277 -4.728 329 HE1 PHE 45 1HE PHE 45 -2.223 -16.632 -1.687 330 HE2 PHE 45 2HE PHE 45 -0.558 -18.421 -5.174 331 HZ PHE 45 HZ PHE 45 -2.460 -18.099 -3.654 332 H ILE 46 H ILE 46 2.142 -12.346 -2.015 333 HA ILE 46 HA ILE 46 -0.712 -12.042 -2.458 334 HB ILE 46 HB ILE 46 0.349 -11.816 -0.168 335 1HG1 ILE 46 2HG1 ILE 46 -0.910 -9.735 0.507 336 2HG1 ILE 46 1HG1 ILE 46 -1.234 -9.462 -1.202 337 1HG2 ILE 46 1HG2 ILE 46 1.473 -9.740 0.442 338 2HG2 ILE 46 2HG2 ILE 46 1.390 -9.211 -1.236 339 3HG2 ILE 46 3HG2 ILE 46 2.353 -10.621 -0.808 340 1HD1 ILE 46 1HD1 ILE 46 -2.058 -11.841 0.409 341 2HD1 ILE 46 2HD1 ILE 46 -2.418 -11.602 -1.308 342 3HD1 ILE 46 3HD1 ILE 46 -3.114 -10.522 -0.090 343 H ALA 47 H ALA 47 2.133 -10.913 -3.814 344 HA ALA 47 HA ALA 47 1.623 -8.244 -4.371 345 1HB ALA 47 1HB ALA 47 3.285 -10.095 -6.084 346 2HB ALA 47 2HB ALA 47 3.837 -9.310 -4.612 347 3HB ALA 47 3HB ALA 47 3.388 -8.335 -6.009 348 HA PRO 48 HA PRO 48 -0.250 -9.501 -8.717 349 1HB PRO 48 2HB PRO 48 -1.524 -12.094 -8.037 350 2HB PRO 48 1HB PRO 48 -0.699 -11.610 -9.522 351 1HG PRO 48 2HG PRO 48 0.466 -13.292 -7.834 352 2HG PRO 48 1HG PRO 48 1.403 -12.025 -8.644 353 1HD PRO 48 2HD PRO 48 0.343 -12.091 -5.845 354 2HD PRO 48 1HD PRO 48 1.938 -11.574 -6.423 355 H PHE 49 H PHE 49 -1.714 -10.590 -5.708 356 HA PHE 49 HA PHE 49 -4.363 -9.898 -6.523 357 1HB PHE 49 2HB PHE 49 -3.913 -11.633 -4.780 358 2HB PHE 49 1HB PHE 49 -3.328 -10.365 -3.710 359 HD1 PHE 49 1HD PHE 49 -6.315 -11.675 -5.442 360 HD2 PHE 49 2HD PHE 49 -4.837 -9.012 -2.485 361 HE1 PHE 49 1HE PHE 49 -8.599 -11.300 -4.657 362 HE2 PHE 49 2HE PHE 49 -7.125 -8.637 -1.692 363 HZ PHE 49 HZ PHE 49 -9.014 -9.781 -2.782 364 H PHE 50 H PHE 50 -1.867 -8.355 -4.567 365 HA PHE 50 HA PHE 50 -3.391 -6.049 -3.880 366 1HB PHE 50 2HB PHE 50 -1.263 -6.829 -2.735 367 2HB PHE 50 1HB PHE 50 -0.373 -6.279 -4.144 368 HD1 PHE 50 1HD PHE 50 -2.504 -5.184 -1.341 369 HD2 PHE 50 2HD PHE 50 0.230 -3.994 -4.372 370 HE1 PHE 50 1HE PHE 50 -2.336 -2.959 -0.308 371 HE2 PHE 50 2HE PHE 50 0.402 -1.762 -3.340 372 HZ PHE 50 HZ PHE 50 -0.877 -1.247 -1.311 373 H ALA 51 H ALA 51 -1.447 -6.894 -6.645 374 HA ALA 51 HA ALA 51 -1.449 -4.329 -7.877 375 1HB ALA 51 1HB ALA 51 0.129 -6.095 -8.506 376 2HB ALA 51 2HB ALA 51 -0.774 -5.513 -9.905 377 3HB ALA 51 3HB ALA 51 -1.201 -7.053 -9.154 378 H ASP 52 H ASP 52 -3.682 -6.979 -7.788 379 HA ASP 52 HA ASP 52 -5.351 -6.095 -9.943 380 1HB ASP 52 2HB ASP 52 -5.215 -8.435 -8.961 381 2HB ASP 52 1HB ASP 52 -6.101 -7.814 -7.606 382 H LEU 53 H LEU 53 -5.381 -5.930 -6.424 383 HA LEU 53 HA LEU 53 -7.644 -4.488 -5.920 384 1HB LEU 53 2HB LEU 53 -4.937 -4.449 -4.658 385 2HB LEU 53 1HB LEU 53 -6.285 -3.637 -3.954 386 HG LEU 53 HG LEU 53 -5.937 -6.582 -4.340 387 1HD1 LEU 53 1HD1 LEU 53 -4.666 -5.610 -2.466 388 2HD1 LEU 53 2HD1 LEU 53 -5.981 -6.629 -1.891 389 3HD1 LEU 53 3HD1 LEU 53 -6.150 -4.880 -1.858 390 1HD2 LEU 53 1HD2 LEU 53 -8.059 -6.831 -3.145 391 2HD2 LEU 53 2HD2 LEU 53 -8.283 -6.018 -4.693 392 3HD2 LEU 53 3HD2 LEU 53 -8.287 -5.085 -3.185 393 H ALA 54 H ALA 54 -4.454 -3.351 -6.865 394 HA ALA 54 HA ALA 54 -4.951 -0.592 -6.682 395 1HB ALA 54 1HB ALA 54 -2.702 -1.552 -6.862 396 2HB ALA 54 2HB ALA 54 -2.981 -0.318 -8.090 397 3HB ALA 54 3HB ALA 54 -3.042 -2.029 -8.525 398 H LYS 55 H LYS 55 -5.627 -2.902 -9.162 399 HA LYS 55 HA LYS 55 -6.284 -0.896 -11.102 400 1HB LYS 55 2HB LYS 55 -5.286 -3.096 -11.689 401 2HB LYS 55 1HB LYS 55 -6.763 -3.876 -11.169 402 1HG LYS 55 2HG LYS 55 -7.992 -2.873 -12.970 403 2HG LYS 55 1HG LYS 55 -6.598 -1.880 -13.420 404 1HD LYS 55 2HD LYS 55 -5.317 -3.924 -13.859 405 2HD LYS 55 1HD LYS 55 -6.747 -4.887 -13.487 406 1HE LYS 55 2HE LYS 55 -7.918 -3.907 -15.361 407 2HE LYS 55 1HE LYS 55 -6.554 -2.836 -15.691 408 1HZ LYS 55 1HZ LYS 55 -5.192 -4.771 -16.146 409 2HZ LYS 55 2HZ LYS 55 -6.507 -4.742 -17.169 410 3HZ LYS 55 3HZ LYS 55 -6.484 -5.808 -15.843 411 H LYS 56 H LYS 56 -7.900 -2.500 -8.554 412 HA LYS 56 HA LYS 56 -10.593 -2.314 -9.567 413 1HB LYS 56 2HB LYS 56 -9.683 -2.415 -6.686 414 2HB LYS 56 1HB LYS 56 -11.301 -2.708 -7.269 415 1HG LYS 56 2HG LYS 56 -8.886 -4.473 -7.740 416 2HG LYS 56 1HG LYS 56 -10.164 -4.767 -6.573 417 1HD LYS 56 2HD LYS 56 -10.673 -6.190 -8.364 418 2HD LYS 56 1HD LYS 56 -11.731 -4.811 -8.623 419 1HE LYS 56 2HE LYS 56 -10.106 -3.929 -10.313 420 2HE LYS 56 1HE LYS 56 -9.100 -5.334 -10.013 421 1HZ LYS 56 1HZ LYS 56 -10.432 -5.588 -11.973 422 2HZ LYS 56 2HZ LYS 56 -11.850 -5.382 -11.103 423 3HZ LYS 56 3HZ LYS 56 -10.880 -6.739 -10.828 424 H LEU 57 H LEU 57 -8.515 -0.206 -7.614 425 HA LEU 57 HA LEU 57 -10.632 1.741 -7.766 426 1HB LEU 57 2HB LEU 57 -8.444 1.350 -5.767 427 2HB LEU 57 1HB LEU 57 -9.469 2.773 -5.816 428 HG LEU 57 HG LEU 57 -10.500 -0.017 -5.518 429 1HD1 LEU 57 1HD1 LEU 57 -10.837 0.541 -3.115 430 2HD1 LEU 57 2HD1 LEU 57 -10.041 2.092 -3.379 431 3HD1 LEU 57 3HD1 LEU 57 -9.128 0.593 -3.548 432 1HD2 LEU 57 1HD2 LEU 57 -12.559 1.098 -4.739 433 2HD2 LEU 57 2HD2 LEU 57 -12.146 1.501 -6.402 434 3HD2 LEU 57 3HD2 LEU 57 -11.825 2.659 -5.104 435 HA PRO 58 HA PRO 58 -7.696 3.386 -10.777 436 1HB PRO 58 2HB PRO 58 -9.379 5.300 -11.721 437 2HB PRO 58 1HB PRO 58 -9.453 3.603 -12.209 438 1HG PRO 58 2HG PRO 58 -11.094 5.046 -10.155 439 2HG PRO 58 1HG PRO 58 -11.629 3.915 -11.411 440 1HD PRO 58 2HD PRO 58 -11.312 3.098 -8.862 441 2HD PRO 58 1HD PRO 58 -10.884 2.065 -10.237 442 H ASN 59 H ASN 59 -9.413 5.330 -8.358 443 HA ASN 59 HA ASN 59 -7.613 7.564 -8.895 444 1HB ASN 59 2HB ASN 59 -10.054 7.971 -8.454 445 2HB ASN 59 1HB ASN 59 -9.779 7.400 -6.810 446 1HD2 ASN 59 1HD2 ASN 59 -10.317 9.338 -5.841 447 2HD2 ASN 59 2HD2 ASN 59 -9.343 10.765 -5.968 448 H VAL 60 H VAL 60 -7.823 4.896 -6.844 449 HA VAL 60 HA VAL 60 -6.419 6.148 -4.652 450 HB VAL 60 HB VAL 60 -7.358 3.288 -5.003 451 1HG1 VAL 60 1HG1 VAL 60 -6.928 3.050 -2.586 452 2HG1 VAL 60 2HG1 VAL 60 -6.194 4.659 -2.576 453 3HG1 VAL 60 3HG1 VAL 60 -5.453 3.358 -3.501 454 1HG2 VAL 60 1HG2 VAL 60 -9.190 4.877 -4.834 455 2HG2 VAL 60 2HG2 VAL 60 -8.472 5.576 -3.388 456 3HG2 VAL 60 3HG2 VAL 60 -9.077 3.923 -3.352 457 H LEU 61 H LEU 61 -4.324 5.974 -4.188 458 HA LEU 61 HA LEU 61 -2.619 4.786 -6.158 459 1HB LEU 61 2HB LEU 61 -2.133 6.569 -3.793 460 2HB LEU 61 1HB LEU 61 -0.898 6.005 -4.895 461 HG LEU 61 HG LEU 61 -3.208 7.815 -5.613 462 1HD1 LEU 61 1HD1 LEU 61 -1.562 8.923 -4.205 463 2HD1 LEU 61 2HD1 LEU 61 -1.486 9.537 -5.859 464 3HD1 LEU 61 3HD1 LEU 61 -0.269 8.400 -5.287 465 1HD2 LEU 61 1HD2 LEU 61 -2.040 8.089 -7.759 466 2HD2 LEU 61 2HD2 LEU 61 -2.537 6.422 -7.505 467 3HD2 LEU 61 3HD2 LEU 61 -0.853 6.885 -7.263 468 H PHE 62 H PHE 62 -1.602 2.933 -5.802 469 HA PHE 62 HA PHE 62 -1.347 1.957 -3.057 470 1HB PHE 62 2HB PHE 62 -1.475 0.367 -5.600 471 2HB PHE 62 1HB PHE 62 -1.225 -0.301 -4.020 472 HD1 PHE 62 1HD PHE 62 -3.007 -1.050 -2.730 473 HD2 PHE 62 2HD PHE 62 -3.785 1.659 -5.915 474 HE1 PHE 62 1HE PHE 62 -5.421 -1.325 -2.372 475 HE2 PHE 62 2HE PHE 62 -6.199 1.388 -5.562 476 HZ PHE 62 HZ PHE 62 -7.023 -0.110 -3.785 477 H LEU 63 H LEU 63 0.593 1.424 -2.460 478 HA LEU 63 HA LEU 63 2.791 1.739 -4.382 479 1HB LEU 63 2HB LEU 63 2.579 3.009 -1.678 480 2HB LEU 63 1HB LEU 63 4.105 2.784 -2.489 481 HG LEU 63 HG LEU 63 3.230 4.266 -4.335 482 1HD1 LEU 63 1HD1 LEU 63 1.016 4.838 -2.387 483 2HD1 LEU 63 2HD1 LEU 63 0.851 4.048 -3.953 484 3HD1 LEU 63 3HD1 LEU 63 1.353 5.737 -3.865 485 1HD2 LEU 63 1HD2 LEU 63 3.558 6.334 -3.073 486 2HD2 LEU 63 2HD2 LEU 63 4.744 5.097 -2.664 487 3HD2 LEU 63 3HD2 LEU 63 3.401 5.426 -1.570 488 H LYS 64 H LYS 64 4.570 0.497 -4.121 489 HA LYS 64 HA LYS 64 4.586 -1.476 -2.001 490 1HB LYS 64 2HB LYS 64 5.752 -1.261 -4.746 491 2HB LYS 64 1HB LYS 64 6.489 -2.301 -3.559 492 1HG LYS 64 2HG LYS 64 3.647 -2.494 -4.537 493 2HG LYS 64 1HG LYS 64 4.988 -3.442 -5.169 494 1HD LYS 64 2HD LYS 64 5.331 -4.410 -2.926 495 2HD LYS 64 1HD LYS 64 3.939 -3.503 -2.333 496 1HE LYS 64 2HE LYS 64 2.492 -4.677 -3.888 497 2HE LYS 64 1HE LYS 64 3.876 -5.544 -4.553 498 1HZ LYS 64 1HZ LYS 64 2.809 -5.785 -1.768 499 2HZ LYS 64 2HZ LYS 64 4.203 -6.539 -2.333 500 3HZ LYS 64 3HZ LYS 64 2.719 -6.949 -2.984 501 H VAL 65 H VAL 65 5.839 -0.759 -0.385 502 HA VAL 65 HA VAL 65 8.183 0.828 -1.133 503 HB VAL 65 HB VAL 65 6.880 0.489 1.597 504 1HG1 VAL 65 1HG1 VAL 65 9.263 2.169 0.785 505 2HG1 VAL 65 2HG1 VAL 65 9.322 0.722 1.791 506 3HG1 VAL 65 3HG1 VAL 65 8.500 2.169 2.375 507 1HG2 VAL 65 1HG2 VAL 65 7.066 2.875 -0.231 508 2HG2 VAL 65 2HG2 VAL 65 6.363 2.867 1.387 509 3HG2 VAL 65 3HG2 VAL 65 5.620 1.921 0.094 510 H ASP 66 H ASP 66 9.926 -0.282 -1.320 511 HA ASP 66 HA ASP 66 9.994 -2.927 -0.207 512 1HB ASP 66 2HB ASP 66 10.826 -2.472 -2.522 513 2HB ASP 66 1HB ASP 66 12.086 -1.490 -1.762 514 H THR 67 H THR 67 10.569 -3.210 1.705 515 HA THR 67 HA THR 67 11.729 -1.154 3.280 516 HB THR 67 HB THR 67 10.071 -2.598 4.294 517 HG1 THR 67 1HG THR 67 12.617 -2.432 5.352 518 1HG2 THR 67 1HG2 THR 67 10.536 -4.942 4.829 519 2HG2 THR 67 2HG2 THR 67 12.061 -4.843 3.937 520 3HG2 THR 67 3HG2 THR 67 10.524 -4.661 3.089 521 H ASP 68 H ASP 68 13.184 -3.431 1.306 522 HA ASP 68 HA ASP 68 15.585 -3.723 2.889 523 1HB ASP 68 2HB ASP 68 14.790 -5.429 1.183 524 2HB ASP 68 1HB ASP 68 15.177 -4.260 -0.059 525 H GLU 69 H GLU 69 14.397 -1.914 0.116 526 HA GLU 69 HA GLU 69 16.652 -0.310 -0.349 527 1HB GLU 69 2HB GLU 69 13.716 0.134 -0.886 528 2HB GLU 69 1HB GLU 69 15.034 1.066 -1.550 529 1HG GLU 69 2HG GLU 69 14.546 -1.848 -2.053 530 2HG GLU 69 1HG GLU 69 14.037 -0.551 -3.124 531 H LEU 70 H LEU 70 13.397 0.520 1.007 532 HA LEU 70 HA LEU 70 14.536 2.773 2.332 533 1HB LEU 70 2HB LEU 70 11.783 1.964 1.548 534 2HB LEU 70 1HB LEU 70 12.132 3.343 2.554 535 HG LEU 70 HG LEU 70 13.054 2.957 -0.301 536 1HD1 LEU 70 1HD1 LEU 70 11.490 4.771 -0.818 537 2HD1 LEU 70 2HD1 LEU 70 10.927 4.757 0.854 538 3HD1 LEU 70 3HD1 LEU 70 10.671 3.350 -0.180 539 1HD2 LEU 70 1HD2 LEU 70 14.655 4.290 0.970 540 2HD2 LEU 70 2HD2 LEU 70 13.353 5.313 1.564 541 3HD2 LEU 70 3HD2 LEU 70 13.761 5.315 -0.148 542 H LYS 71 H LYS 71 15.428 1.192 3.810 543 HA LYS 71 HA LYS 71 13.776 -0.160 5.681 544 1HB LYS 71 2HB LYS 71 15.890 -0.322 7.033 545 2HB LYS 71 1HB LYS 71 15.998 -0.957 5.399 546 1HG LYS 71 2HG LYS 71 17.117 1.033 4.658 547 2HG LYS 71 1HG LYS 71 16.980 1.761 6.265 548 1HD LYS 71 2HD LYS 71 18.353 -0.083 7.162 549 2HD LYS 71 1HD LYS 71 18.479 -0.746 5.533 550 1HE LYS 71 2HE LYS 71 19.627 1.242 4.765 551 2HE LYS 71 1HE LYS 71 19.436 1.997 6.344 552 1HZ LYS 71 1HZ LYS 71 20.989 -0.467 5.786 553 2HZ LYS 71 2HZ LYS 71 20.856 0.330 7.291 554 3HZ LYS 71 3HZ LYS 71 21.627 1.080 5.991 555 H SER 72 H SER 72 15.027 3.055 5.453 556 HA SER 72 HA SER 72 14.745 3.843 8.132 557 1HB SER 72 2HB SER 72 14.653 5.485 5.632 558 2HB SER 72 1HB SER 72 15.048 6.085 7.251 559 HG SER 72 HG SER 72 16.865 4.721 7.242 560 H VAL 73 H VAL 73 12.515 3.796 5.409 561 HA VAL 73 HA VAL 73 10.462 5.299 6.669 562 HB VAL 73 HB VAL 73 10.243 3.260 4.417 563 1HG1 VAL 73 1HG1 VAL 73 8.142 4.394 3.846 564 2HG1 VAL 73 2HG1 VAL 73 8.318 5.429 5.264 565 3HG1 VAL 73 3HG1 VAL 73 8.079 3.694 5.466 566 1HG2 VAL 73 1HG2 VAL 73 11.758 5.086 3.850 567 2HG2 VAL 73 2HG2 VAL 73 10.527 6.262 4.305 568 3HG2 VAL 73 3HG2 VAL 73 10.264 5.205 2.920 569 H ALA 74 H ALA 74 11.213 1.871 6.406 570 HA ALA 74 HA ALA 74 8.954 0.849 7.752 571 1HB ALA 74 1HB ALA 74 10.502 -0.556 6.455 572 2HB ALA 74 2HB ALA 74 10.300 -1.154 8.102 573 3HB ALA 74 3HB ALA 74 11.755 -0.266 7.659 574 H SER 75 H SER 75 12.112 1.911 8.964 575 HA SER 75 HA SER 75 11.557 1.312 11.653 576 1HB SER 75 2HB SER 75 13.455 3.340 10.475 577 2HB SER 75 1HB SER 75 13.474 2.776 12.146 578 HG SER 75 HG SER 75 13.680 0.611 11.174 579 H ASP 76 H ASP 76 10.841 4.154 9.677 580 HA ASP 76 HA ASP 76 10.200 5.879 11.866 581 1HB ASP 76 2HB ASP 76 10.791 6.806 9.677 582 2HB ASP 76 1HB ASP 76 9.379 6.050 8.957 583 H TRP 77 H TRP 77 8.315 3.730 9.838 584 HA TRP 77 HA TRP 77 5.883 4.457 11.173 585 1HB TRP 77 2HB TRP 77 6.514 2.578 8.946 586 2HB TRP 77 1HB TRP 77 4.884 2.723 9.594 587 HD1 TRP 77 HD TRP 77 7.562 5.095 8.019 588 HE1 TRP 77 1HE TRP 77 6.339 6.830 6.569 589 HE3 TRP 77 3HE TRP 77 2.749 3.639 8.912 590 HZ2 TRP 77 2HZ TRP 77 3.678 7.488 5.885 591 HZ3 TRP 77 3HZ TRP 77 0.928 4.864 7.815 592 HH2 TRP 77 HH TRP 77 1.383 6.751 6.333 593 H ALA 78 H ALA 78 8.363 2.631 11.980 594 HA ALA 78 HA ALA 78 8.883 0.832 13.188 595 1HB ALA 78 1HB ALA 78 7.545 0.356 15.176 596 2HB ALA 78 2HB ALA 78 6.202 1.294 14.513 597 3HB ALA 78 3HB ALA 78 7.717 2.090 14.932 598 H ILE 79 H ILE 79 8.723 -0.275 11.198 599 HA ILE 79 HA ILE 79 6.646 -2.336 11.184 600 HB ILE 79 HB ILE 79 8.290 -1.256 8.886 601 1HG1 ILE 79 2HG1 ILE 79 5.364 -0.882 9.541 602 2HG1 ILE 79 1HG1 ILE 79 6.614 0.333 9.748 603 1HG2 ILE 79 1HG2 ILE 79 6.023 -3.262 8.902 604 2HG2 ILE 79 2HG2 ILE 79 7.720 -3.618 8.584 605 3HG2 ILE 79 3HG2 ILE 79 6.807 -2.609 7.462 606 1HD1 ILE 79 1HD1 ILE 79 6.977 0.341 7.345 607 2HD1 ILE 79 2HD1 ILE 79 5.304 0.715 7.764 608 3HD1 ILE 79 3HD1 ILE 79 5.729 -0.889 7.162 609 H GLN 80 H GLN 80 7.555 -3.988 12.196 610 HA GLN 80 HA GLN 80 10.301 -4.733 11.483 611 1HB GLN 80 2HB GLN 80 9.919 -4.224 13.853 612 2HB GLN 80 1HB GLN 80 8.676 -5.459 13.920 613 1HG GLN 80 2HG GLN 80 10.690 -6.290 14.910 614 2HG GLN 80 1HG GLN 80 10.373 -7.160 13.414 615 1HE2 GLN 80 1HE2 GLN 80 12.825 -6.793 14.912 616 2HE2 GLN 80 2HE2 GLN 80 13.980 -6.090 13.840 617 H ALA 81 H ALA 81 6.983 -5.789 11.705 618 HA ALA 81 HA ALA 81 7.746 -8.429 10.776 619 1HB ALA 81 1HB ALA 81 5.433 -9.054 11.270 620 2HB ALA 81 2HB ALA 81 5.075 -7.383 11.701 621 3HB ALA 81 3HB ALA 81 6.209 -8.317 12.671 622 H MET 82 H MET 82 7.625 -8.916 8.757 623 HA MET 82 HA MET 82 6.404 -7.025 6.890 624 1HB MET 82 2HB MET 82 8.455 -9.193 6.465 625 2HB MET 82 1HB MET 82 7.844 -8.111 5.239 626 1HG MET 82 2HG MET 82 8.859 -6.225 6.217 627 2HG MET 82 1HG MET 82 9.220 -7.101 7.702 628 1HE MET 82 1HE MET 82 11.244 -8.254 3.732 629 2HE MET 82 2HE MET 82 9.928 -7.082 3.805 630 3HE MET 82 3HE MET 82 9.630 -8.776 4.206 631 HA PRO 83 HA PRO 83 5.670 -6.835 5.118 632 1HB PRO 83 2HB PRO 83 3.735 -6.823 3.291 633 2HB PRO 83 1HB PRO 83 5.195 -7.787 3.047 634 1HG PRO 83 2HG PRO 83 2.456 -8.669 3.778 635 2HG PRO 83 1HG PRO 83 3.706 -9.523 2.862 636 1HD PRO 83 2HD PRO 83 3.070 -9.824 5.627 637 2HD PRO 83 1HD PRO 83 4.408 -10.578 4.739 638 H THR 84 H THR 84 4.470 -4.856 5.360 639 HA THR 84 HA THR 84 2.017 -5.145 6.928 640 HB THR 84 HB THR 84 3.949 -2.926 6.793 641 HG1 THR 84 1HG THR 84 4.195 -5.018 8.215 642 1HG2 THR 84 1HG2 THR 84 1.408 -3.093 8.422 643 2HG2 THR 84 2HG2 THR 84 1.732 -1.985 7.092 644 3HG2 THR 84 3HG2 THR 84 2.617 -1.823 8.607 645 H PHE 85 H PHE 85 0.157 -4.561 5.918 646 HA PHE 85 HA PHE 85 0.319 -2.876 3.554 647 1HB PHE 85 2HB PHE 85 -2.035 -4.469 4.654 648 2HB PHE 85 1HB PHE 85 -1.836 -3.732 3.090 649 HD1 PHE 85 1HD PHE 85 -0.701 -4.854 1.303 650 HD2 PHE 85 2HD PHE 85 -0.798 -6.538 5.212 651 HE1 PHE 85 1HE PHE 85 0.115 -6.997 0.412 652 HE2 PHE 85 2HE PHE 85 0.017 -8.662 4.332 653 HZ PHE 85 HZ PHE 85 0.475 -8.906 1.939 654 H MET 86 H MET 86 -0.238 -0.810 3.985 655 HA MET 86 HA MET 86 -1.722 -0.324 6.464 656 1HB MET 86 2HB MET 86 0.571 0.502 6.566 657 2HB MET 86 1HB MET 86 0.320 1.422 5.096 658 1HG MET 86 2HG MET 86 -1.195 1.937 7.655 659 2HG MET 86 1HG MET 86 0.320 2.725 7.265 660 1HE MET 86 1HE MET 86 -0.087 3.141 4.053 661 2HE MET 86 2HE MET 86 0.605 4.344 5.138 662 3HE MET 86 3HE MET 86 -0.721 4.789 4.061 663 H PHE 87 H PHE 87 -3.629 0.641 6.374 664 HA PHE 87 HA PHE 87 -4.467 1.766 3.853 665 1HB PHE 87 2HB PHE 87 -5.824 0.289 6.062 666 2HB PHE 87 1HB PHE 87 -6.697 1.111 4.803 667 HD1 PHE 87 1HD PHE 87 -6.844 0.112 2.586 668 HD2 PHE 87 2HD PHE 87 -4.503 -1.720 5.630 669 HE1 PHE 87 1HE PHE 87 -6.699 -1.938 1.235 670 HE2 PHE 87 2HE PHE 87 -4.349 -3.773 4.282 671 HZ PHE 87 HZ PHE 87 -5.450 -3.882 2.081 672 H LEU 88 H LEU 88 -4.487 3.965 4.126 673 HA LEU 88 HA LEU 88 -5.644 4.896 6.581 674 1HB LEU 88 2HB LEU 88 -4.306 6.950 6.404 675 2HB LEU 88 1HB LEU 88 -3.322 5.503 6.413 676 HG LEU 88 HG LEU 88 -2.967 5.795 3.936 677 1HD1 LEU 88 1HD1 LEU 88 -4.299 8.428 4.426 678 2HD1 LEU 88 2HD1 LEU 88 -4.880 7.153 3.348 679 3HD1 LEU 88 3HD1 LEU 88 -3.390 8.033 2.978 680 1HD2 LEU 88 1HD2 LEU 88 -1.357 7.619 4.161 681 2HD2 LEU 88 2HD2 LEU 88 -1.296 6.526 5.543 682 3HD2 LEU 88 3HD2 LEU 88 -2.103 8.087 5.688 683 H LYS 89 H LYS 89 -6.809 7.047 6.204 684 HA LYS 89 HA LYS 89 -7.762 7.246 3.463 685 1HB LYS 89 2HB LYS 89 -9.395 5.990 4.776 686 2HB LYS 89 1HB LYS 89 -9.490 7.328 5.913 687 1HG LYS 89 2HG LYS 89 -10.486 8.735 4.212 688 2HG LYS 89 1HG LYS 89 -10.285 7.459 3.007 689 1HD LYS 89 2HD LYS 89 -11.732 5.991 4.318 690 2HD LYS 89 1HD LYS 89 -11.950 7.269 5.511 691 1HE LYS 89 2HE LYS 89 -13.019 8.664 3.804 692 2HE LYS 89 1HE LYS 89 -12.760 7.394 2.611 693 1HZ LYS 89 1HZ LYS 89 -15.017 7.357 3.516 694 2HZ LYS 89 2HZ LYS 89 -14.406 7.104 5.066 695 3HZ LYS 89 3HZ LYS 89 -14.196 5.930 3.888 696 H GLU 90 H GLU 90 -7.309 9.119 2.755 697 HA GLU 90 HA GLU 90 -6.723 11.208 2.539 698 1HB GLU 90 2HB GLU 90 -8.848 11.559 4.601 699 2HB GLU 90 1HB GLU 90 -8.161 12.905 3.691 700 1HG GLU 90 2HG GLU 90 -8.918 11.846 1.604 701 2HG GLU 90 1HG GLU 90 -9.647 10.544 2.543 702 H GLY 91 H GLY 91 -4.990 9.918 4.093 703 1HA GLY 91 2HA GLY 91 -3.004 10.614 5.131 704 2HA GLY 91 1HA GLY 91 -3.815 12.095 5.602 705 H LYS 92 H LYS 92 -6.028 10.110 6.646 706 HA LYS 92 HA LYS 92 -4.791 9.938 9.295 707 1HB LYS 92 2HB LYS 92 -7.665 9.743 8.349 708 2HB LYS 92 1HB LYS 92 -7.197 9.295 9.960 709 1HG LYS 92 2HG LYS 92 -8.262 11.497 9.907 710 2HG LYS 92 1HG LYS 92 -6.609 11.632 10.460 711 1HD LYS 92 2HD LYS 92 -7.316 12.159 7.579 712 2HD LYS 92 1HD LYS 92 -7.617 13.389 8.803 713 1HE LYS 92 2HE LYS 92 -5.243 13.354 9.407 714 2HE LYS 92 1HE LYS 92 -4.956 12.101 8.205 715 1HZ LYS 92 1HZ LYS 92 -4.330 14.263 7.370 716 2HZ LYS 92 2HZ LYS 92 -5.877 14.871 7.637 717 3HZ LYS 92 3HZ LYS 92 -5.637 13.678 6.475 718 H ILE 93 H ILE 93 -4.252 7.975 10.127 719 HA ILE 93 HA ILE 93 -4.344 5.700 8.385 720 HB ILE 93 HB ILE 93 -3.472 5.871 11.277 721 1HG1 ILE 93 2HG1 ILE 93 -2.202 7.356 9.758 722 2HG1 ILE 93 1HG1 ILE 93 -1.167 6.080 10.447 723 1HG2 ILE 93 1HG2 ILE 93 -2.212 3.802 10.824 724 2HG2 ILE 93 2HG2 ILE 93 -2.916 3.745 9.208 725 3HG2 ILE 93 3HG2 ILE 93 -3.952 3.581 10.627 726 1HD1 ILE 93 1HD1 ILE 93 -2.308 6.384 7.713 727 2HD1 ILE 93 2HD1 ILE 93 -1.457 4.933 8.255 728 3HD1 ILE 93 3HD1 ILE 93 -0.615 6.488 8.185 729 H LEU 94 H LEU 94 -5.836 4.131 8.336 730 HA LEU 94 HA LEU 94 -7.904 4.209 10.370 731 1HB LEU 94 2HB LEU 94 -7.776 2.906 7.682 732 2HB LEU 94 1HB LEU 94 -9.125 2.731 8.767 733 HG LEU 94 HG LEU 94 -8.209 5.250 7.370 734 1HD1 LEU 94 1HD1 LEU 94 -10.415 5.125 6.321 735 2HD1 LEU 94 2HD1 LEU 94 -10.702 3.595 7.141 736 3HD1 LEU 94 3HD1 LEU 94 -9.410 3.728 5.945 737 1HD2 LEU 94 1HD2 LEU 94 -10.157 6.341 8.388 738 2HD2 LEU 94 2HD2 LEU 94 -8.979 5.840 9.593 739 3HD2 LEU 94 3HD2 LEU 94 -10.456 4.897 9.359 740 H ASP 95 H ASP 95 -6.015 1.808 8.514 741 HA ASP 95 HA ASP 95 -5.597 0.237 10.830 742 1HB ASP 95 2HB ASP 95 -6.641 -1.754 9.778 743 2HB ASP 95 1HB ASP 95 -7.771 -0.663 10.567 744 H LYS 96 H LYS 96 -4.352 -1.628 10.410 745 HA LYS 96 HA LYS 96 -3.111 -1.692 7.776 746 1HB LYS 96 2HB LYS 96 -0.867 -1.853 8.721 747 2HB LYS 96 1HB LYS 96 -1.610 -0.329 9.176 748 1HG LYS 96 2HG LYS 96 -2.023 -1.126 11.401 749 2HG LYS 96 1HG LYS 96 -1.487 -2.751 10.966 750 1HD LYS 96 2HD LYS 96 0.759 -1.851 10.498 751 2HD LYS 96 1HD LYS 96 0.203 -0.252 10.990 752 1HE LYS 96 2HE LYS 96 -0.235 -1.057 13.228 753 2HE LYS 96 1HE LYS 96 0.187 -2.700 12.750 754 1HZ LYS 96 1HZ LYS 96 2.052 -0.382 12.768 755 2HZ LYS 96 2HZ LYS 96 2.446 -1.967 12.347 756 3HZ LYS 96 3HZ LYS 96 1.996 -1.617 13.909 757 H VAL 97 H VAL 97 -2.267 -3.672 7.249 758 HA VAL 97 HA VAL 97 -3.020 -5.902 9.034 759 HB VAL 97 HB VAL 97 -2.681 -5.968 6.014 760 1HG1 VAL 97 1HG1 VAL 97 -2.195 -8.103 7.056 761 2HG1 VAL 97 2HG1 VAL 97 -3.699 -8.192 6.142 762 3HG1 VAL 97 3HG1 VAL 97 -3.745 -8.065 7.903 763 1HG2 VAL 97 1HG2 VAL 97 -5.116 -6.209 5.870 764 2HG2 VAL 97 2HG2 VAL 97 -4.661 -4.668 6.599 765 3HG2 VAL 97 3HG2 VAL 97 -5.239 -5.988 7.614 766 H VAL 98 H VAL 98 -1.277 -6.830 9.880 767 HA VAL 98 HA VAL 98 1.254 -6.566 8.454 768 HB VAL 98 HB VAL 98 0.753 -7.151 11.331 769 1HG1 VAL 98 1HG1 VAL 98 2.867 -8.075 10.546 770 2HG1 VAL 98 2HG1 VAL 98 3.167 -6.696 11.608 771 3HG1 VAL 98 3HG1 VAL 98 3.306 -6.510 9.860 772 1HG2 VAL 98 1HG2 VAL 98 0.094 -4.876 10.837 773 2HG2 VAL 98 2HG2 VAL 98 1.641 -4.576 10.046 774 3HG2 VAL 98 3HG2 VAL 98 1.583 -4.866 11.785 775 H GLY 99 H GLY 99 1.921 -8.317 7.495 776 1HA GLY 99 2HA GLY 99 2.525 -10.643 7.499 777 2HA GLY 99 1HA GLY 99 1.175 -10.942 8.595 778 H ALA 100 H ALA 100 1.902 -11.883 5.696 779 HA ALA 100 HA ALA 100 -0.338 -10.738 4.254 780 1HB ALA 100 1HB ALA 100 1.772 -11.196 3.079 781 2HB ALA 100 2HB ALA 100 0.423 -12.104 2.398 782 3HB ALA 100 3HB ALA 100 1.590 -12.914 3.441 783 H LYS 101 H LYS 101 -2.181 -11.351 4.951 784 HA LYS 101 HA LYS 101 -2.790 -14.186 4.882 785 1HB LYS 101 2HB LYS 101 -3.911 -12.003 6.576 786 2HB LYS 101 1HB LYS 101 -4.709 -13.554 6.345 787 1HG LYS 101 2HG LYS 101 -2.797 -14.659 7.381 788 2HG LYS 101 1HG LYS 101 -1.996 -13.087 7.592 789 1HD LYS 101 2HD LYS 101 -2.996 -13.861 9.560 790 2HD LYS 101 1HD LYS 101 -3.848 -12.421 8.957 791 1HE LYS 101 2HE LYS 101 -5.607 -13.994 8.004 792 2HE LYS 101 1HE LYS 101 -4.747 -15.313 8.778 793 1HZ LYS 101 1HZ LYS 101 -6.636 -14.589 10.091 794 2HZ LYS 101 2HZ LYS 101 -6.047 -13.033 10.173 795 3HZ LYS 101 3HZ LYS 101 -5.210 -14.284 10.931 796 H LYS 102 H LYS 102 -4.027 -14.505 3.027 797 HA LYS 102 HA LYS 102 -5.025 -12.308 1.615 798 1HB LYS 102 2HB LYS 102 -4.302 -14.420 0.570 799 2HB LYS 102 1HB LYS 102 -5.655 -15.229 1.355 800 1HG LYS 102 2HG LYS 102 -7.218 -13.960 0.099 801 2HG LYS 102 1HG LYS 102 -5.916 -12.991 -0.606 802 1HD LYS 102 2HD LYS 102 -6.671 -14.693 -2.215 803 2HD LYS 102 1HD LYS 102 -5.015 -15.005 -1.695 804 1HE LYS 102 2HE LYS 102 -5.852 -16.682 -0.104 805 2HE LYS 102 1HE LYS 102 -7.496 -16.380 -0.663 806 1HZ LYS 102 1HZ LYS 102 -5.253 -17.443 -2.278 807 2HZ LYS 102 2HZ LYS 102 -6.803 -17.132 -2.874 808 3HZ LYS 102 3HZ LYS 102 -6.568 -18.325 -1.709 809 H ASP 103 H ASP 103 -6.451 -14.641 3.805 810 HA ASP 103 HA ASP 103 -9.182 -13.961 3.445 811 1HB ASP 103 2HB ASP 103 -8.476 -16.069 4.469 812 2HB ASP 103 1HB ASP 103 -7.767 -15.189 5.813 813 H GLU 104 H GLU 104 -6.734 -12.859 5.688 814 HA GLU 104 HA GLU 104 -8.387 -11.190 7.343 815 1HB GLU 104 2HB GLU 104 -6.007 -12.072 7.802 816 2HB GLU 104 1HB GLU 104 -5.477 -10.800 6.714 817 1HG GLU 104 2HG GLU 104 -5.158 -10.061 8.941 818 2HG GLU 104 1HG GLU 104 -6.511 -9.156 8.260 819 H LEU 105 H LEU 105 -6.388 -10.693 4.512 820 HA LEU 105 HA LEU 105 -6.658 -7.948 4.244 821 1HB LEU 105 2HB LEU 105 -5.168 -9.522 2.978 822 2HB LEU 105 1HB LEU 105 -6.558 -9.994 2.082 823 HG LEU 105 HG LEU 105 -6.903 -7.795 1.192 824 1HD1 LEU 105 1HD1 LEU 105 -4.374 -7.034 2.675 825 2HD1 LEU 105 2HD1 LEU 105 -6.001 -6.414 2.987 826 3HD1 LEU 105 3HD1 LEU 105 -5.185 -6.031 1.476 827 1HD2 LEU 105 1HD2 LEU 105 -5.508 -9.338 -0.061 828 2HD2 LEU 105 2HD2 LEU 105 -4.080 -8.774 0.809 829 3HD2 LEU 105 3HD2 LEU 105 -4.934 -7.686 -0.280 830 H GLN 106 H GLN 106 -8.505 -10.617 3.066 831 HA GLN 106 HA GLN 106 -10.489 -9.230 1.597 832 1HB GLN 106 2HB GLN 106 -11.008 -11.739 3.211 833 2HB GLN 106 1HB GLN 106 -12.031 -11.107 1.937 834 1HG GLN 106 2HG GLN 106 -9.294 -12.322 1.678 835 2HG GLN 106 1HG GLN 106 -10.823 -12.981 1.109 836 1HE2 GLN 106 1HE2 GLN 106 -8.294 -10.779 0.564 837 2HE2 GLN 106 2HE2 GLN 106 -8.732 -10.308 -1.044 838 H SER 107 H SER 107 -10.307 -9.897 5.063 839 HA SER 107 HA SER 107 -12.907 -8.869 5.625 840 1HB SER 107 2HB SER 107 -10.509 -9.157 7.455 841 2HB SER 107 1HB SER 107 -12.189 -8.960 7.972 842 HG SER 107 HG SER 107 -12.178 -10.964 6.309 843 H THR 108 H THR 108 -9.713 -7.511 5.474 844 HA THR 108 HA THR 108 -10.419 -4.942 6.439 845 HB THR 108 HB THR 108 -8.094 -5.823 4.706 846 HG1 THR 108 1HG THR 108 -8.444 -6.758 6.946 847 1HG2 THR 108 1HG2 THR 108 -6.979 -3.802 5.544 848 2HG2 THR 108 2HG2 THR 108 -8.434 -3.343 6.420 849 3HG2 THR 108 3HG2 THR 108 -8.439 -3.381 4.656 850 H ILE 109 H ILE 109 -10.297 -6.441 3.234 851 HA ILE 109 HA ILE 109 -10.758 -4.097 1.762 852 HB ILE 109 HB ILE 109 -11.484 -6.952 1.026 853 1HG1 ILE 109 2HG1 ILE 109 -9.091 -5.256 0.272 854 2HG1 ILE 109 1HG1 ILE 109 -9.079 -6.560 1.449 855 1HG2 ILE 109 1HG2 ILE 109 -11.546 -6.112 -1.302 856 2HG2 ILE 109 2HG2 ILE 109 -11.272 -4.476 -0.683 857 3HG2 ILE 109 3HG2 ILE 109 -12.761 -5.326 -0.284 858 1HD1 ILE 109 1HD1 ILE 109 -8.151 -7.252 -0.669 859 2HD1 ILE 109 2HD1 ILE 109 -9.658 -6.843 -1.485 860 3HD1 ILE 109 3HD1 ILE 109 -9.621 -8.157 -0.306 861 H ALA 110 H ALA 110 -13.007 -6.470 3.171 862 HA ALA 110 HA ALA 110 -15.337 -5.201 2.131 863 1HB ALA 110 1HB ALA 110 -15.105 -6.976 4.567 864 2HB ALA 110 2HB ALA 110 -15.317 -7.556 2.915 865 3HB ALA 110 3HB ALA 110 -16.584 -6.600 3.685 866 H LYS 111 H LYS 111 -13.430 -4.657 4.937 867 HA LYS 111 HA LYS 111 -15.168 -2.970 6.381 868 1HB LYS 111 2HB LYS 111 -12.910 -3.980 7.057 869 2HB LYS 111 1HB LYS 111 -12.275 -2.688 6.080 870 1HG LYS 111 2HG LYS 111 -13.309 -0.994 7.489 871 2HG LYS 111 1HG LYS 111 -13.947 -2.257 8.541 872 1HD LYS 111 2HD LYS 111 -11.677 -2.992 9.047 873 2HD LYS 111 1HD LYS 111 -11.024 -1.730 7.999 874 1HE LYS 111 2HE LYS 111 -12.207 -0.057 9.492 875 2HE LYS 111 1HE LYS 111 -12.559 -1.397 10.571 876 1HZ LYS 111 1HZ LYS 111 -9.860 -0.549 9.733 877 2HZ LYS 111 2HZ LYS 111 -10.179 -1.788 10.839 878 3HZ LYS 111 3HZ LYS 111 -10.533 -0.193 11.228 879 H HIS 112 H HIS 112 -12.733 -2.374 3.900 880 HA HIS 112 HA HIS 112 -13.284 0.468 3.822 881 1HB HIS 112 2HB HIS 112 -11.321 -1.270 2.364 882 2HB HIS 112 1HB HIS 112 -11.496 0.447 2.095 883 HD1 HIS 112 1HD HIS 112 -10.332 1.998 3.787 884 HD2 HIS 112 2HD HIS 112 -10.150 -2.009 4.814 885 HE1 HIS 112 1HE HIS 112 -8.614 1.847 5.616 886 HE2 HIS 112 2HE HIS 112 -8.639 -0.561 6.342 887 H LEU 113 H LEU 113 -14.799 -2.233 2.315 888 HA LEU 113 HA LEU 113 -14.843 -1.537 -0.308 889 1HB LEU 113 2HB LEU 113 -15.463 -3.634 0.894 890 2HB LEU 113 1HB LEU 113 -16.946 -2.817 1.330 891 HG LEU 113 HG LEU 113 -17.124 -4.430 -0.409 892 1HD1 LEU 113 1HD1 LEU 113 -17.764 -1.614 -1.352 893 2HD1 LEU 113 2HD1 LEU 113 -18.809 -2.647 -0.380 894 3HD1 LEU 113 3HD1 LEU 113 -18.466 -3.070 -2.060 895 1HD2 LEU 113 1HD2 LEU 113 -15.408 -2.603 -2.059 896 2HD2 LEU 113 2HD2 LEU 113 -16.317 -3.954 -2.718 897 3HD2 LEU 113 3HD2 LEU 113 -15.044 -4.244 -1.533 898 H ALA 114 H ALA 114 -15.548 0.202 -1.192 899 HA ALA 114 HA ALA 114 -18.142 1.237 -0.900 900 1HB ALA 114 1HB ALA 114 -17.496 3.503 -0.129 901 2HB ALA 114 2HB ALA 114 -15.861 2.919 0.183 902 3HB ALA 114 3HB ALA 114 -17.218 2.285 1.115 Start of MODEL 16 1 H MET 1 H MET 1 -11.850 2.778 -21.263 2 HA MET 1 HA MET 1 -11.434 5.660 -21.196 3 1HB MET 1 2HB MET 1 -11.371 3.640 -18.940 4 2HB MET 1 1HB MET 1 -11.105 5.358 -18.748 5 1HG MET 1 2HG MET 1 -13.323 4.840 -18.035 6 2HG MET 1 1HG MET 1 -13.430 5.756 -19.530 7 1HE MET 1 1HE MET 1 -15.860 4.113 -18.240 8 2HE MET 1 2HE MET 1 -16.550 3.370 -19.684 9 3HE MET 1 3HE MET 1 -15.990 5.041 -19.734 10 H ALA 2 H ALA 2 -9.483 6.388 -21.640 11 HA ALA 2 HA ALA 2 -7.244 4.560 -21.379 12 1HB ALA 2 1HB ALA 2 -7.361 7.265 -22.702 13 2HB ALA 2 2HB ALA 2 -7.509 5.710 -23.532 14 3HB ALA 2 3HB ALA 2 -5.996 6.150 -22.741 15 H SER 3 H SER 3 -6.867 4.543 -19.264 16 HA SER 3 HA SER 3 -5.404 6.790 -18.198 17 1HB SER 3 2HB SER 3 -7.788 5.596 -16.732 18 2HB SER 3 1HB SER 3 -6.682 6.806 -16.083 19 HG SER 3 HG SER 3 -7.618 7.642 -18.429 20 H GLU 4 H GLU 4 -4.069 6.030 -16.376 21 HA GLU 4 HA GLU 4 -3.484 3.230 -16.619 22 1HB GLU 4 2HB GLU 4 -1.639 4.839 -16.368 23 2HB GLU 4 1HB GLU 4 -2.252 5.297 -14.781 24 1HG GLU 4 2HG GLU 4 -1.893 3.022 -13.977 25 2HG GLU 4 1HG GLU 4 -1.295 2.558 -15.565 26 H GLU 5 H GLU 5 -4.500 1.746 -15.517 27 HA GLU 5 HA GLU 5 -5.363 2.270 -12.773 28 1HB GLU 5 2HB GLU 5 -7.046 0.980 -14.926 29 2HB GLU 5 1HB GLU 5 -7.502 1.162 -13.239 30 1HG GLU 5 2HG GLU 5 -7.606 3.575 -13.513 31 2HG GLU 5 1HG GLU 5 -7.048 3.422 -15.181 32 H GLY 6 H GLY 6 -5.135 0.404 -11.534 33 1HA GLY 6 2HA GLY 6 -4.976 -1.920 -11.217 34 2HA GLY 6 1HA GLY 6 -4.667 -2.112 -12.933 35 H GLN 7 H GLN 7 -2.688 0.302 -12.125 36 HA GLN 7 HA GLN 7 -0.605 -1.609 -11.478 37 1HB GLN 7 2HB GLN 7 -0.383 1.041 -12.746 38 2HB GLN 7 1HB GLN 7 1.025 0.201 -12.150 39 1HG GLN 7 2HG GLN 7 0.934 -0.199 -14.518 40 2HG GLN 7 1HG GLN 7 0.491 -1.687 -13.704 41 1HE2 GLN 7 1HE2 GLN 7 -0.563 0.904 -15.684 42 2HE2 GLN 7 2HE2 GLN 7 -2.081 0.229 -16.159 43 H VAL 8 H VAL 8 1.122 -0.895 -10.203 44 HA VAL 8 HA VAL 8 0.159 0.622 -7.869 45 HB VAL 8 HB VAL 8 2.061 -1.740 -7.935 46 1HG1 VAL 8 1HG1 VAL 8 2.578 -0.229 -6.127 47 2HG1 VAL 8 2HG1 VAL 8 1.854 -1.716 -5.506 48 3HG1 VAL 8 3HG1 VAL 8 0.893 -0.240 -5.609 49 1HG2 VAL 8 1HG2 VAL 8 -0.797 -1.614 -6.974 50 2HG2 VAL 8 2HG2 VAL 8 0.279 -3.006 -6.822 51 3HG2 VAL 8 3HG2 VAL 8 -0.216 -2.444 -8.417 52 H ILE 9 H ILE 9 1.508 2.237 -7.167 53 HA ILE 9 HA ILE 9 3.792 2.776 -8.837 54 HB ILE 9 HB ILE 9 2.509 4.425 -6.649 55 1HG1 ILE 9 2HG1 ILE 9 2.092 6.030 -8.586 56 2HG1 ILE 9 1HG1 ILE 9 2.558 4.729 -9.654 57 1HG2 ILE 9 1HG2 ILE 9 4.866 5.151 -8.373 58 2HG2 ILE 9 2HG2 ILE 9 4.882 4.873 -6.632 59 3HG2 ILE 9 3HG2 ILE 9 4.015 6.259 -7.297 60 1HD1 ILE 9 1HD1 ILE 9 0.692 3.374 -8.830 61 2HD1 ILE 9 2HD1 ILE 9 0.136 4.913 -9.493 62 3HD1 ILE 9 3HD1 ILE 9 0.232 4.685 -7.744 63 H ALA 10 H ALA 10 5.735 2.030 -8.301 64 HA ALA 10 HA ALA 10 6.257 1.442 -5.484 65 1HB ALA 10 1HB ALA 10 7.599 0.314 -7.946 66 2HB ALA 10 2HB ALA 10 6.369 -0.504 -6.984 67 3HB ALA 10 3HB ALA 10 7.946 -0.144 -6.279 68 H CYS 11 H CYS 11 7.355 3.063 -4.553 69 HA CYS 11 HA CYS 11 9.218 4.606 -6.112 70 1HB CYS 11 2HB CYS 11 8.315 4.898 -3.248 71 2HB CYS 11 1HB CYS 11 9.252 6.027 -4.186 72 HG CYS 11 HG CYS 11 7.042 6.006 -6.163 73 H HIS 12 H HIS 12 11.387 4.651 -5.644 74 HA HIS 12 HA HIS 12 12.314 2.584 -3.778 75 1HB HIS 12 2HB HIS 12 13.576 3.349 -6.426 76 2HB HIS 12 1HB HIS 12 14.244 2.208 -5.275 77 HD1 HIS 12 1HD HIS 12 13.447 -0.185 -5.406 78 HD2 HIS 12 2HD HIS 12 11.144 2.399 -7.716 79 HE1 HIS 12 1HE HIS 12 11.903 -1.643 -6.704 80 HE2 HIS 12 2HE HIS 12 10.798 -0.095 -8.320 81 H THR 13 H THR 13 11.975 5.727 -3.924 82 HA THR 13 HA THR 13 14.473 6.190 -2.480 83 HB THR 13 HB THR 13 14.484 8.549 -3.336 84 HG1 THR 13 1HG THR 13 13.223 8.991 -5.214 85 1HG2 THR 13 1HG2 THR 13 15.362 8.063 -5.587 86 2HG2 THR 13 2HG2 THR 13 14.642 6.455 -5.504 87 3HG2 THR 13 3HG2 THR 13 15.946 6.890 -4.403 88 H VAL 14 H VAL 14 14.253 7.483 -0.645 89 HA VAL 14 HA VAL 14 11.654 7.558 0.487 90 HB VAL 14 HB VAL 14 13.690 7.299 1.896 91 1HG1 VAL 14 1HG1 VAL 14 14.252 10.173 1.223 92 2HG1 VAL 14 2HG1 VAL 14 15.214 8.771 0.753 93 3HG1 VAL 14 3HG1 VAL 14 15.085 9.222 2.452 94 1HG2 VAL 14 1HG2 VAL 14 12.083 9.756 2.601 95 2HG2 VAL 14 2HG2 VAL 14 13.062 8.815 3.726 96 3HG2 VAL 14 3HG2 VAL 14 11.646 8.087 2.965 97 H GLU 15 H GLU 15 13.528 9.731 -1.363 98 HA GLU 15 HA GLU 15 12.324 12.188 -0.765 99 1HB GLU 15 2HB GLU 15 14.391 11.888 -2.076 100 2HB GLU 15 1HB GLU 15 13.430 11.225 -3.385 101 1HG GLU 15 2HG GLU 15 12.190 13.351 -3.504 102 2HG GLU 15 1HG GLU 15 13.282 14.014 -2.300 103 H THR 16 H THR 16 11.639 9.844 -3.400 104 HA THR 16 HA THR 16 9.373 11.258 -4.311 105 HB THR 16 HB THR 16 10.067 8.334 -4.749 106 HG1 THR 16 1HG THR 16 10.932 10.752 -5.898 107 1HG2 THR 16 1HG2 THR 16 8.301 10.211 -6.346 108 2HG2 THR 16 2HG2 THR 16 7.734 8.877 -5.340 109 3HG2 THR 16 3HG2 THR 16 8.686 8.546 -6.787 110 H TRP 17 H TRP 17 9.832 8.657 -2.001 111 HA TRP 17 HA TRP 17 7.163 8.048 -1.482 112 1HB TRP 17 2HB TRP 17 8.842 6.627 -0.578 113 2HB TRP 17 1HB TRP 17 9.648 7.974 0.213 114 HD1 TRP 17 HD TRP 17 9.273 8.083 2.685 115 HE1 TRP 17 1HE TRP 17 7.544 7.279 4.333 116 HE3 TRP 17 3HE TRP 17 5.936 6.085 -0.629 117 HZ2 TRP 17 2HZ TRP 17 5.021 5.951 4.269 118 HZ3 TRP 17 3HZ TRP 17 3.875 5.079 0.255 119 HH2 TRP 17 HH TRP 17 3.433 5.015 2.663 120 H ASN 18 H ASN 18 9.252 10.478 0.027 121 HA ASN 18 HA ASN 18 7.426 11.629 1.813 122 1HB ASN 18 2HB ASN 18 9.858 12.109 1.779 123 2HB ASN 18 1HB ASN 18 9.655 12.970 0.261 124 1HD2 ASN 18 1HD2 ASN 18 10.383 14.908 1.040 125 2HD2 ASN 18 2HD2 ASN 18 9.528 15.849 2.186 126 H GLU 19 H GLU 19 8.126 12.282 -1.549 127 HA GLU 19 HA GLU 19 6.515 14.489 -2.111 128 1HB GLU 19 2HB GLU 19 8.269 13.498 -3.565 129 2HB GLU 19 1HB GLU 19 7.234 12.120 -3.847 130 1HG GLU 19 2HG GLU 19 7.185 13.533 -5.754 131 2HG GLU 19 1HG GLU 19 5.619 13.632 -4.960 132 H GLN 20 H GLN 20 5.769 10.947 -2.287 133 HA GLN 20 HA GLN 20 3.212 11.145 -3.257 134 1HB GLN 20 2HB GLN 20 4.575 9.148 -1.584 135 2HB GLN 20 1HB GLN 20 3.046 8.869 -2.394 136 1HG GLN 20 2HG GLN 20 5.692 9.439 -3.743 137 2HG GLN 20 1HG GLN 20 4.953 7.854 -3.589 138 1HE2 GLN 20 1HE2 GLN 20 4.962 7.580 -5.757 139 2HE2 GLN 20 2HE2 GLN 20 3.891 8.381 -6.844 140 H LEU 21 H LEU 21 4.443 10.893 0.161 141 HA LEU 21 HA LEU 21 1.952 10.765 1.324 142 1HB LEU 21 2HB LEU 21 4.628 11.624 2.136 143 2HB LEU 21 1HB LEU 21 3.301 11.589 3.262 144 HG LEU 21 HG LEU 21 4.590 9.246 1.841 145 1HD1 LEU 21 1HD1 LEU 21 5.243 8.557 4.088 146 2HD1 LEU 21 2HD1 LEU 21 4.497 10.014 4.753 147 3HD1 LEU 21 3HD1 LEU 21 5.894 10.145 3.689 148 1HD2 LEU 21 1HD2 LEU 21 2.180 8.854 2.062 149 2HD2 LEU 21 2HD2 LEU 21 2.266 9.255 3.776 150 3HD2 LEU 21 3HD2 LEU 21 3.086 7.820 3.167 151 H GLN 22 H GLN 22 4.093 13.426 0.593 152 HA GLN 22 HA GLN 22 2.570 15.422 1.772 153 1HB GLN 22 2HB GLN 22 4.857 15.819 1.038 154 2HB GLN 22 1HB GLN 22 4.394 15.542 -0.633 155 1HG GLN 22 2HG GLN 22 4.696 17.908 -0.183 156 2HG GLN 22 1HG GLN 22 3.025 17.546 -0.601 157 1HE2 GLN 22 1HE2 GLN 22 1.463 17.733 0.965 158 2HE2 GLN 22 2HE2 GLN 22 1.719 18.598 2.442 159 H LYS 23 H LYS 23 2.422 13.943 -1.398 160 HA LYS 23 HA LYS 23 0.440 15.638 -2.469 161 1HB LYS 23 2HB LYS 23 1.912 14.254 -3.872 162 2HB LYS 23 1HB LYS 23 1.169 12.805 -3.224 163 1HG LYS 23 2HG LYS 23 -0.944 13.382 -4.246 164 2HG LYS 23 1HG LYS 23 -0.273 14.903 -4.831 165 1HD LYS 23 2HD LYS 23 0.690 12.145 -5.616 166 2HD LYS 23 1HD LYS 23 -0.367 13.164 -6.588 167 1HE LYS 23 2HE LYS 23 1.425 14.885 -6.661 168 2HE LYS 23 1HE LYS 23 2.476 13.798 -5.762 169 1HZ LYS 23 1HZ LYS 23 1.316 13.238 -8.436 170 2HZ LYS 23 2HZ LYS 23 2.370 12.221 -7.584 171 3HZ LYS 23 3HZ LYS 23 2.911 13.708 -8.130 172 H ALA 24 H ALA 24 0.268 12.471 -0.811 173 HA ALA 24 HA ALA 24 -2.513 12.145 -1.107 174 1HB ALA 24 1HB ALA 24 -2.318 10.469 0.663 175 2HB ALA 24 2HB ALA 24 -0.710 11.074 1.062 176 3HB ALA 24 3HB ALA 24 -1.001 10.308 -0.499 177 H ASN 25 H ASN 25 -0.572 13.719 1.283 178 HA ASN 25 HA ASN 25 -2.551 14.265 3.251 179 1HB ASN 25 2HB ASN 25 0.001 14.401 3.451 180 2HB ASN 25 1HB ASN 25 -0.128 15.847 2.547 181 1HD2 ASN 25 1HD2 ASN 25 0.835 16.968 4.268 182 2HD2 ASN 25 2HD2 ASN 25 -0.102 17.504 5.601 183 H GLU 26 H GLU 26 -1.051 16.196 0.807 184 HA GLU 26 HA GLU 26 -2.590 18.552 1.265 185 1HB GLU 26 2HB GLU 26 -0.362 18.666 0.379 186 2HB GLU 26 1HB GLU 26 -0.857 17.794 -1.062 187 1HG GLU 26 2HG GLU 26 -2.339 19.644 -1.650 188 2HG GLU 26 1HG GLU 26 -1.783 20.518 -0.224 189 H SER 27 H SER 27 -2.809 16.068 -1.321 190 HA SER 27 HA SER 27 -5.026 17.526 -2.434 191 1HB SER 27 2HB SER 27 -3.538 15.095 -3.364 192 2HB SER 27 1HB SER 27 -4.815 15.902 -4.272 193 HG SER 27 HG SER 27 -3.473 17.838 -3.979 194 H LYS 28 H LYS 28 -4.739 15.459 0.024 195 HA LYS 28 HA LYS 28 -6.132 14.063 1.170 196 1HB LYS 28 2HB LYS 28 -8.144 15.297 -0.601 197 2HB LYS 28 1HB LYS 28 -8.563 14.405 0.858 198 1HG LYS 28 2HG LYS 28 -7.299 16.132 2.160 199 2HG LYS 28 1HG LYS 28 -7.098 17.045 0.665 200 1HD LYS 28 2HD LYS 28 -9.701 16.324 2.011 201 2HD LYS 28 1HD LYS 28 -8.967 17.921 1.926 202 1HE LYS 28 2HE LYS 28 -9.188 17.876 -0.535 203 2HE LYS 28 1HE LYS 28 -9.959 16.297 -0.413 204 1HZ LYS 28 1HZ LYS 28 -10.982 18.811 0.747 205 2HZ LYS 28 2HZ LYS 28 -11.733 17.305 0.881 206 3HZ LYS 28 3HZ LYS 28 -11.588 18.049 -0.633 207 H THR 29 H THR 29 -4.822 12.930 -0.931 208 HA THR 29 HA THR 29 -6.667 11.424 -2.533 209 HB THR 29 HB THR 29 -3.754 10.957 -2.204 210 HG1 THR 29 1HG THR 29 -5.242 12.839 -3.771 211 1HG2 THR 29 1HG2 THR 29 -3.918 10.209 -4.564 212 2HG2 THR 29 2HG2 THR 29 -5.660 10.496 -4.497 213 3HG2 THR 29 3HG2 THR 29 -4.926 9.273 -3.464 214 H LEU 30 H LEU 30 -6.992 9.303 -2.362 215 HA LEU 30 HA LEU 30 -6.673 8.175 0.284 216 1HB LEU 30 2HB LEU 30 -8.910 8.264 -0.912 217 2HB LEU 30 1HB LEU 30 -8.283 7.124 -2.068 218 HG LEU 30 HG LEU 30 -8.741 6.529 0.874 219 1HD1 LEU 30 1HD1 LEU 30 -10.365 5.798 -1.540 220 2HD1 LEU 30 2HD1 LEU 30 -10.805 6.972 -0.300 221 3HD1 LEU 30 3HD1 LEU 30 -10.654 5.264 0.117 222 1HD2 LEU 30 1HD2 LEU 30 -7.015 5.096 -0.173 223 2HD2 LEU 30 2HD2 LEU 30 -8.195 4.665 -1.423 224 3HD2 LEU 30 3HD2 LEU 30 -8.477 4.203 0.253 225 H VAL 31 H VAL 31 -4.928 6.810 0.565 226 HA VAL 31 HA VAL 31 -3.892 5.434 -1.775 227 HB VAL 31 HB VAL 31 -2.545 7.418 -1.366 228 1HG1 VAL 31 1HG1 VAL 31 -2.058 6.305 1.379 229 2HG1 VAL 31 2HG1 VAL 31 -2.951 7.771 0.977 230 3HG1 VAL 31 3HG1 VAL 31 -1.212 7.686 0.678 231 1HG2 VAL 31 1HG2 VAL 31 -1.433 5.452 -2.221 232 2HG2 VAL 31 2HG2 VAL 31 -1.091 4.894 -0.580 233 3HG2 VAL 31 3HG2 VAL 31 -0.333 6.369 -1.190 234 H VAL 32 H VAL 32 -3.205 3.403 -1.472 235 HA VAL 32 HA VAL 32 -3.192 2.328 1.254 236 HB VAL 32 HB VAL 32 -3.754 0.905 -1.323 237 1HG1 VAL 32 1HG1 VAL 32 -4.247 -1.079 0.090 238 2HG1 VAL 32 2HG1 VAL 32 -3.777 -0.155 1.514 239 3HG1 VAL 32 3HG1 VAL 32 -2.576 -0.541 0.282 240 1HG2 VAL 32 1HG2 VAL 32 -5.599 1.533 0.975 241 2HG2 VAL 32 2HG2 VAL 32 -6.028 0.553 -0.427 242 3HG2 VAL 32 3HG2 VAL 32 -5.638 2.262 -0.629 243 H VAL 33 H VAL 33 -1.272 1.637 1.926 244 HA VAL 33 HA VAL 33 0.844 1.510 -0.098 245 HB VAL 33 HB VAL 33 1.150 2.262 2.814 246 1HG1 VAL 33 1HG1 VAL 33 3.409 2.954 2.160 247 2HG1 VAL 33 2HG1 VAL 33 3.105 2.370 0.525 248 3HG1 VAL 33 3HG1 VAL 33 3.138 1.235 1.874 249 1HG2 VAL 33 1HG2 VAL 33 1.154 4.031 0.364 250 2HG2 VAL 33 2HG2 VAL 33 1.524 4.557 2.006 251 3HG2 VAL 33 3HG2 VAL 33 -0.094 3.984 1.609 252 H ASP 34 H ASP 34 1.931 -0.239 -0.291 253 HA ASP 34 HA ASP 34 1.641 -2.477 1.583 254 1HB ASP 34 2HB ASP 34 1.000 -3.087 -0.602 255 2HB ASP 34 1HB ASP 34 2.332 -2.211 -1.328 256 H PHE 35 H PHE 35 3.378 -2.797 2.965 257 HA PHE 35 HA PHE 35 6.003 -1.945 2.013 258 1HB PHE 35 2HB PHE 35 4.964 -2.585 4.772 259 2HB PHE 35 1HB PHE 35 6.601 -2.127 4.373 260 HD1 PHE 35 1HD PHE 35 7.130 0.207 3.835 261 HD2 PHE 35 2HD PHE 35 3.177 -0.978 4.868 262 HE1 PHE 35 1HE PHE 35 6.533 2.559 4.232 263 HE2 PHE 35 2HE PHE 35 2.570 1.374 5.262 264 HZ PHE 35 HZ PHE 35 4.249 3.145 4.945 265 H THR 36 H THR 36 7.045 -3.688 1.149 266 HA THR 36 HA THR 36 7.401 -6.020 2.733 267 HB THR 36 HB THR 36 5.278 -6.530 1.524 268 HG1 THR 36 1HG THR 36 6.235 -8.407 0.364 269 1HG2 THR 36 1HG2 THR 36 5.364 -7.010 -0.890 270 2HG2 THR 36 2HG2 THR 36 6.994 -6.335 -0.944 271 3HG2 THR 36 3HG2 THR 36 5.617 -5.310 -0.518 272 H ALA 37 H ALA 37 8.823 -7.586 1.244 273 HA ALA 37 HA ALA 37 10.571 -6.005 -0.475 274 1HB ALA 37 1HB ALA 37 11.680 -6.057 1.720 275 2HB ALA 37 2HB ALA 37 12.582 -6.987 0.523 276 3HB ALA 37 3HB ALA 37 11.595 -7.819 1.721 277 H SER 38 H SER 38 11.423 -7.146 -2.145 278 HA SER 38 HA SER 38 9.865 -9.299 -3.037 279 1HB SER 38 2HB SER 38 10.848 -7.712 -4.594 280 2HB SER 38 1HB SER 38 12.466 -8.250 -4.160 281 HG SER 38 HG SER 38 11.239 -10.434 -4.857 282 H TRP 39 H TRP 39 12.671 -9.423 -1.054 283 HA TRP 39 HA TRP 39 13.410 -12.039 -1.960 284 1HB TRP 39 2HB TRP 39 15.075 -12.028 -0.065 285 2HB TRP 39 1HB TRP 39 15.234 -10.723 -1.213 286 HD1 TRP 39 HD TRP 39 15.462 -8.429 -0.243 287 HE1 TRP 39 1HE TRP 39 15.207 -7.337 2.084 288 HE3 TRP 39 3HE TRP 39 13.399 -12.358 2.287 289 HZ2 TRP 39 2HZ TRP 39 14.240 -8.036 4.624 290 HZ3 TRP 39 3HZ TRP 39 12.833 -12.055 4.667 291 HH2 TRP 39 HH TRP 39 13.250 -9.941 5.803 292 H CYS 40 H CYS 40 10.945 -11.053 -0.050 293 HA CYS 40 HA CYS 40 11.015 -13.420 1.646 294 1HB CYS 40 2HB CYS 40 10.494 -11.410 2.808 295 2HB CYS 40 1HB CYS 40 9.256 -10.960 1.652 296 H GLY 41 H GLY 41 9.879 -15.171 1.201 297 1HA GLY 41 2HA GLY 41 8.647 -15.595 -1.291 298 2HA GLY 41 1HA GLY 41 8.570 -16.681 0.081 299 HA PRO 42 HA PRO 42 4.264 -15.881 0.851 300 1HB PRO 42 2HB PRO 42 4.796 -14.472 3.407 301 2HB PRO 42 1HB PRO 42 3.812 -15.906 3.107 302 1HG PRO 42 2HG PRO 42 6.190 -16.097 4.316 303 2HG PRO 42 1HG PRO 42 5.627 -17.333 3.185 304 1HD PRO 42 2HD PRO 42 7.651 -15.183 2.781 305 2HD PRO 42 1HD PRO 42 7.616 -16.845 2.157 306 H CYS 43 H CYS 43 6.395 -13.280 1.570 307 HA CYS 43 HA CYS 43 4.545 -11.144 1.486 308 1HB CYS 43 2HB CYS 43 7.485 -11.182 0.972 309 2HB CYS 43 1HB CYS 43 6.537 -9.785 1.458 310 H ARG 44 H ARG 44 6.678 -12.682 -0.924 311 HA ARG 44 HA ARG 44 5.990 -10.843 -2.991 312 1HB ARG 44 2HB ARG 44 8.172 -12.045 -2.900 313 2HB ARG 44 1HB ARG 44 7.340 -13.571 -3.067 314 1HG ARG 44 2HG ARG 44 7.347 -11.430 -5.210 315 2HG ARG 44 1HG ARG 44 8.538 -12.722 -5.099 316 1HD ARG 44 2HD ARG 44 6.738 -14.377 -5.338 317 2HD ARG 44 1HD ARG 44 5.563 -13.072 -5.435 318 HE ARG 44 HE ARG 44 7.346 -12.535 -7.415 319 1HH1 ARG 44 1HH1 ARG 44 5.334 -15.356 -6.602 320 2HH1 ARG 44 2HH1 ARG 44 5.130 -15.807 -8.239 321 1HH2 ARG 44 1HH2 ARG 44 7.039 -13.235 -9.653 322 2HH2 ARG 44 2HH2 ARG 44 6.101 -14.626 -9.956 323 H PHE 45 H PHE 45 4.909 -13.920 -1.830 324 HA PHE 45 HA PHE 45 3.193 -14.752 -3.870 325 1HB PHE 45 2HB PHE 45 3.837 -16.224 -2.066 326 2HB PHE 45 1HB PHE 45 3.085 -15.173 -0.881 327 HD1 PHE 45 1HD PHE 45 0.729 -15.325 -0.414 328 HD2 PHE 45 2HD PHE 45 2.455 -17.607 -3.573 329 HE1 PHE 45 1HE PHE 45 -1.319 -16.663 -0.565 330 HE2 PHE 45 2HE PHE 45 0.400 -18.943 -3.725 331 HZ PHE 45 HZ PHE 45 -1.486 -18.474 -2.221 332 H ILE 46 H ILE 46 2.699 -12.375 -1.332 333 HA ILE 46 HA ILE 46 -0.154 -12.294 -1.825 334 HB ILE 46 HB ILE 46 0.903 -12.070 0.489 335 1HG1 ILE 46 2HG1 ILE 46 -0.667 -10.260 1.245 336 2HG1 ILE 46 1HG1 ILE 46 -1.013 -9.939 -0.454 337 1HG2 ILE 46 1HG2 ILE 46 1.647 -9.842 1.183 338 2HG2 ILE 46 2HG2 ILE 46 1.569 -9.313 -0.498 339 3HG2 ILE 46 3HG2 ILE 46 2.708 -10.573 -0.020 340 1HD1 ILE 46 1HD1 ILE 46 -1.444 -12.520 0.986 341 2HD1 ILE 46 2HD1 ILE 46 -1.860 -12.211 -0.707 342 3HD1 ILE 46 3HD1 ILE 46 -2.706 -11.357 0.590 343 H ALA 47 H ALA 47 2.628 -10.773 -3.007 344 HA ALA 47 HA ALA 47 1.789 -8.154 -3.447 345 1HB ALA 47 1HB ALA 47 4.137 -8.880 -3.556 346 2HB ALA 47 2HB ALA 47 3.658 -7.908 -4.945 347 3HB ALA 47 3HB ALA 47 3.813 -9.656 -5.107 348 HA PRO 48 HA PRO 48 0.442 -9.524 -8.030 349 1HB PRO 48 2HB PRO 48 -0.687 -12.164 -7.256 350 2HB PRO 48 1HB PRO 48 0.098 -11.673 -8.764 351 1HG PRO 48 2HG PRO 48 1.416 -13.175 -7.050 352 2HG PRO 48 1HG PRO 48 2.230 -11.811 -7.845 353 1HD PRO 48 2HD PRO 48 1.121 -12.003 -5.079 354 2HD PRO 48 1HD PRO 48 2.657 -11.306 -5.626 355 H PHE 49 H PHE 49 -1.149 -10.430 -5.054 356 HA PHE 49 HA PHE 49 -3.793 -10.044 -6.084 357 1HB PHE 49 2HB PHE 49 -3.351 -11.586 -4.197 358 2HB PHE 49 1HB PHE 49 -2.866 -10.220 -3.204 359 HD1 PHE 49 1HD PHE 49 -5.714 -11.694 -5.038 360 HD2 PHE 49 2HD PHE 49 -4.467 -8.956 -2.034 361 HE1 PHE 49 1HE PHE 49 -8.053 -11.389 -4.349 362 HE2 PHE 49 2HE PHE 49 -6.802 -8.648 -1.342 363 HZ PHE 49 HZ PHE 49 -8.599 -9.865 -2.503 364 H PHE 50 H PHE 50 -1.404 -8.099 -4.486 365 HA PHE 50 HA PHE 50 -3.132 -5.900 -3.828 366 1HB PHE 50 2HB PHE 50 -0.904 -6.418 -2.734 367 2HB PHE 50 1HB PHE 50 -0.122 -5.923 -4.223 368 HD1 PHE 50 1HD PHE 50 -2.234 -4.754 -1.435 369 HD2 PHE 50 2HD PHE 50 0.339 -3.645 -4.630 370 HE1 PHE 50 1HE PHE 50 -2.166 -2.463 -0.569 371 HE2 PHE 50 2HE PHE 50 0.413 -1.340 -3.768 372 HZ PHE 50 HZ PHE 50 -0.837 -0.747 -1.736 373 H ALA 51 H ALA 51 -1.221 -6.809 -6.589 374 HA ALA 51 HA ALA 51 -1.579 -4.390 -8.057 375 1HB ALA 51 1HB ALA 51 -0.892 -5.706 -10.009 376 2HB ALA 51 2HB ALA 51 -1.081 -7.191 -9.079 377 3HB ALA 51 3HB ALA 51 0.162 -6.024 -8.632 378 H ASP 52 H ASP 52 -3.420 -7.304 -7.649 379 HA ASP 52 HA ASP 52 -5.402 -6.931 -9.673 380 1HB ASP 52 2HB ASP 52 -4.933 -9.063 -8.428 381 2HB ASP 52 1HB ASP 52 -5.592 -8.315 -7.018 382 H LEU 53 H LEU 53 -5.221 -6.227 -6.261 383 HA LEU 53 HA LEU 53 -7.625 -5.002 -5.807 384 1HB LEU 53 2HB LEU 53 -4.883 -4.525 -4.739 385 2HB LEU 53 1HB LEU 53 -6.247 -3.746 -4.041 386 HG LEU 53 HG LEU 53 -5.661 -6.673 -4.106 387 1HD1 LEU 53 1HD1 LEU 53 -5.876 -4.707 -1.823 388 2HD1 LEU 53 2HD1 LEU 53 -4.378 -5.370 -2.455 389 3HD1 LEU 53 3HD1 LEU 53 -5.548 -6.428 -1.668 390 1HD2 LEU 53 1HD2 LEU 53 -8.062 -6.356 -4.370 391 2HD2 LEU 53 2HD2 LEU 53 -8.082 -5.248 -3.004 392 3HD2 LEU 53 3HD2 LEU 53 -7.702 -6.951 -2.751 393 H ALA 54 H ALA 54 -4.673 -3.623 -7.112 394 HA ALA 54 HA ALA 54 -5.539 -0.969 -7.233 395 1HB ALA 54 1HB ALA 54 -3.535 -2.354 -9.006 396 2HB ALA 54 2HB ALA 54 -3.190 -1.629 -7.435 397 3HB ALA 54 3HB ALA 54 -3.696 -0.612 -8.785 398 H LYS 55 H LYS 55 -6.068 -3.671 -9.380 399 HA LYS 55 HA LYS 55 -7.069 -2.039 -11.534 400 1HB LYS 55 2HB LYS 55 -5.948 -4.195 -11.962 401 2HB LYS 55 1HB LYS 55 -7.226 -5.029 -11.095 402 1HG LYS 55 2HG LYS 55 -8.845 -4.306 -12.786 403 2HG LYS 55 1HG LYS 55 -7.557 -3.473 -13.657 404 1HD LYS 55 2HD LYS 55 -6.396 -5.604 -13.973 405 2HD LYS 55 1HD LYS 55 -7.686 -6.435 -13.097 406 1HE LYS 55 2HE LYS 55 -9.293 -5.715 -14.792 407 2HE LYS 55 1HE LYS 55 -8.005 -4.886 -15.663 408 1HZ LYS 55 1HZ LYS 55 -8.456 -7.024 -16.641 409 2HZ LYS 55 2HZ LYS 55 -8.195 -7.812 -15.187 410 3HZ LYS 55 3HZ LYS 55 -6.916 -7.056 -15.970 411 H LYS 56 H LYS 56 -8.360 -3.628 -8.752 412 HA LYS 56 HA LYS 56 -11.072 -3.342 -9.742 413 1HB LYS 56 2HB LYS 56 -10.021 -4.669 -7.237 414 2HB LYS 56 1HB LYS 56 -11.716 -4.640 -7.726 415 1HG LYS 56 2HG LYS 56 -11.220 -5.867 -9.742 416 2HG LYS 56 1HG LYS 56 -9.497 -5.794 -9.406 417 1HD LYS 56 2HD LYS 56 -10.346 -7.991 -8.876 418 2HD LYS 56 1HD LYS 56 -9.869 -7.166 -7.399 419 1HE LYS 56 2HE LYS 56 -12.202 -6.659 -6.924 420 2HE LYS 56 1HE LYS 56 -12.686 -7.421 -8.442 421 1HZ LYS 56 1HZ LYS 56 -12.972 -8.933 -6.541 422 2HZ LYS 56 2HZ LYS 56 -11.323 -8.816 -6.195 423 3HZ LYS 56 3HZ LYS 56 -11.815 -9.518 -7.622 424 H LEU 57 H LEU 57 -8.880 -1.580 -7.783 425 HA LEU 57 HA LEU 57 -11.070 0.169 -7.118 426 1HB LEU 57 2HB LEU 57 -8.608 -0.504 -5.559 427 2HB LEU 57 1HB LEU 57 -9.581 0.915 -5.235 428 HG LEU 57 HG LEU 57 -10.660 -1.875 -5.202 429 1HD1 LEU 57 1HD1 LEU 57 -8.977 -1.651 -3.404 430 2HD1 LEU 57 2HD1 LEU 57 -10.590 -1.660 -2.696 431 3HD1 LEU 57 3HD1 LEU 57 -9.717 -0.142 -2.885 432 1HD2 LEU 57 1HD2 LEU 57 -12.506 -0.861 -3.926 433 2HD2 LEU 57 2HD2 LEU 57 -12.335 -0.180 -5.540 434 3HD2 LEU 57 3HD2 LEU 57 -11.753 0.718 -4.139 435 HA PRO 58 HA PRO 58 -8.309 2.171 -10.230 436 1HB PRO 58 2HB PRO 58 -10.304 3.681 -11.303 437 2HB PRO 58 1HB PRO 58 -9.970 2.015 -11.789 438 1HG PRO 58 2HG PRO 58 -12.017 3.035 -9.847 439 2HG PRO 58 1HG PRO 58 -12.213 1.838 -11.143 440 1HD PRO 58 2HD PRO 58 -11.896 1.020 -8.606 441 2HD PRO 58 1HD PRO 58 -11.111 0.183 -9.953 442 H ASN 59 H ASN 59 -10.595 3.654 -7.945 443 HA ASN 59 HA ASN 59 -9.407 6.251 -8.320 444 1HB ASN 59 2HB ASN 59 -11.713 5.292 -6.658 445 2HB ASN 59 1HB ASN 59 -11.152 6.949 -6.716 446 1HD2 ASN 59 1HD2 ASN 59 -13.738 5.811 -7.454 447 2HD2 ASN 59 2HD2 ASN 59 -14.025 6.240 -9.086 448 H VAL 60 H VAL 60 -8.420 3.667 -6.778 449 HA VAL 60 HA VAL 60 -7.513 5.140 -4.419 450 HB VAL 60 HB VAL 60 -7.795 2.144 -4.812 451 1HG1 VAL 60 1HG1 VAL 60 -5.904 2.611 -3.414 452 2HG1 VAL 60 2HG1 VAL 60 -7.213 1.992 -2.404 453 3HG1 VAL 60 3HG1 VAL 60 -6.843 3.716 -2.425 454 1HG2 VAL 60 1HG2 VAL 60 -9.960 3.209 -4.511 455 2HG2 VAL 60 2HG2 VAL 60 -9.377 4.046 -3.079 456 3HG2 VAL 60 3HG2 VAL 60 -9.537 2.288 -3.067 457 H LEU 61 H LEU 61 -5.326 5.475 -4.264 458 HA LEU 61 HA LEU 61 -3.729 4.391 -6.378 459 1HB LEU 61 2HB LEU 61 -3.280 6.520 -4.315 460 2HB LEU 61 1HB LEU 61 -2.008 5.914 -5.341 461 HG LEU 61 HG LEU 61 -3.319 6.721 -7.326 462 1HD1 LEU 61 1HD1 LEU 61 -5.539 6.759 -6.409 463 2HD1 LEU 61 2HD1 LEU 61 -5.097 8.379 -6.966 464 3HD1 LEU 61 3HD1 LEU 61 -5.074 7.998 -5.250 465 1HD2 LEU 61 1HD2 LEU 61 -1.489 8.034 -6.464 466 2HD2 LEU 61 2HD2 LEU 61 -2.544 8.772 -5.266 467 3HD2 LEU 61 3HD2 LEU 61 -2.794 9.106 -6.980 468 H PHE 62 H PHE 62 -2.478 2.726 -6.078 469 HA PHE 62 HA PHE 62 -1.907 1.904 -3.331 470 1HB PHE 62 2HB PHE 62 -1.849 0.281 -5.849 471 2HB PHE 62 1HB PHE 62 -1.474 -0.315 -4.260 472 HD1 PHE 62 1HD PHE 62 -3.121 -1.056 -2.771 473 HD2 PHE 62 2HD PHE 62 -4.273 1.034 -6.283 474 HE1 PHE 62 1HE PHE 62 -5.465 -1.641 -2.342 475 HE2 PHE 62 2HE PHE 62 -6.620 0.454 -5.861 476 HZ PHE 62 HZ PHE 62 -7.217 -0.884 -3.892 477 H LEU 63 H LEU 63 0.062 1.658 -2.745 478 HA LEU 63 HA LEU 63 2.227 2.097 -4.666 479 1HB LEU 63 2HB LEU 63 1.830 3.525 -2.066 480 2HB LEU 63 1HB LEU 63 3.429 3.284 -2.711 481 HG LEU 63 HG LEU 63 2.745 4.567 -4.738 482 1HD1 LEU 63 1HD1 LEU 63 0.279 5.204 -3.154 483 2HD1 LEU 63 2HD1 LEU 63 0.338 4.277 -4.653 484 3HD1 LEU 63 3HD1 LEU 63 0.764 5.992 -4.654 485 1HD2 LEU 63 1HD2 LEU 63 2.829 6.757 -3.656 486 2HD2 LEU 63 2HD2 LEU 63 3.991 5.617 -2.974 487 3HD2 LEU 63 3HD2 LEU 63 2.499 5.986 -2.104 488 H LYS 64 H LYS 64 4.091 1.031 -4.356 489 HA LYS 64 HA LYS 64 4.072 -0.870 -2.207 490 1HB LYS 64 2HB LYS 64 4.708 -1.075 -5.012 491 2HB LYS 64 1HB LYS 64 5.877 -1.837 -3.933 492 1HG LYS 64 2HG LYS 64 4.088 -3.018 -2.821 493 2HG LYS 64 1HG LYS 64 2.912 -2.241 -3.865 494 1HD LYS 64 2HD LYS 64 3.811 -3.384 -5.771 495 2HD LYS 64 1HD LYS 64 5.112 -4.066 -4.775 496 1HE LYS 64 2HE LYS 64 2.298 -4.329 -4.080 497 2HE LYS 64 1HE LYS 64 3.019 -5.568 -5.166 498 1HZ LYS 64 1HZ LYS 64 3.759 -4.855 -2.334 499 2HZ LYS 64 2HZ LYS 64 4.605 -5.962 -3.240 500 3HZ LYS 64 3HZ LYS 64 3.004 -6.267 -2.802 501 H VAL 65 H VAL 65 5.450 -0.399 -0.703 502 HA VAL 65 HA VAL 65 7.909 1.060 -1.337 503 HB VAL 65 HB VAL 65 6.495 0.612 1.314 504 1HG1 VAL 65 1HG1 VAL 65 8.945 2.272 0.719 505 2HG1 VAL 65 2HG1 VAL 65 8.933 0.736 1.582 506 3HG1 VAL 65 3HG1 VAL 65 8.135 2.144 2.280 507 1HG2 VAL 65 1HG2 VAL 65 6.066 3.025 1.250 508 2HG2 VAL 65 2HG2 VAL 65 5.323 2.184 -0.112 509 3HG2 VAL 65 3HG2 VAL 65 6.805 3.105 -0.348 510 H ASP 66 H ASP 66 9.600 -0.250 -1.530 511 HA ASP 66 HA ASP 66 9.427 -2.907 -0.439 512 1HB ASP 66 2HB ASP 66 10.447 -2.460 -2.680 513 2HB ASP 66 1HB ASP 66 11.752 -1.650 -1.803 514 H THR 67 H THR 67 10.073 -3.396 1.430 515 HA THR 67 HA THR 67 11.200 -1.387 3.092 516 HB THR 67 HB THR 67 9.501 -2.825 4.052 517 HG1 THR 67 1HG THR 67 11.884 -2.383 5.140 518 1HG2 THR 67 1HG2 THR 67 9.938 -5.184 4.572 519 2HG2 THR 67 2HG2 THR 67 11.485 -5.074 3.734 520 3HG2 THR 67 3HG2 THR 67 9.980 -4.887 2.833 521 H ASP 68 H ASP 68 12.728 -3.767 1.204 522 HA ASP 68 HA ASP 68 15.035 -3.913 2.957 523 1HB ASP 68 2HB ASP 68 14.395 -5.780 1.408 524 2HB ASP 68 1HB ASP 68 14.796 -4.729 0.065 525 H GLU 69 H GLU 69 13.970 -2.355 0.076 526 HA GLU 69 HA GLU 69 16.343 -0.895 -0.376 527 1HB GLU 69 2HB GLU 69 13.574 -0.787 -1.418 528 2HB GLU 69 1HB GLU 69 14.813 0.329 -1.932 529 1HG GLU 69 2HG GLU 69 16.176 -1.612 -2.678 530 2HG GLU 69 1HG GLU 69 14.857 -2.677 -2.199 531 H LEU 70 H LEU 70 13.017 0.146 0.646 532 HA LEU 70 HA LEU 70 14.178 2.597 1.558 533 1HB LEU 70 2HB LEU 70 11.395 1.589 1.111 534 2HB LEU 70 1HB LEU 70 11.764 3.134 1.835 535 HG LEU 70 HG LEU 70 12.453 2.268 -0.976 536 1HD1 LEU 70 1HD1 LEU 70 10.460 4.279 0.055 537 2HD1 LEU 70 2HD1 LEU 70 10.112 2.762 -0.800 538 3HD1 LEU 70 3HD1 LEU 70 10.921 4.076 -1.631 539 1HD2 LEU 70 1HD2 LEU 70 13.211 4.587 -1.279 540 2HD2 LEU 70 2HD2 LEU 70 14.188 3.693 -0.128 541 3HD2 LEU 70 3HD2 LEU 70 12.997 4.868 0.450 542 H LYS 71 H LYS 71 15.199 0.972 3.021 543 HA LYS 71 HA LYS 71 13.675 -0.219 5.075 544 1HB LYS 71 2HB LYS 71 15.966 -0.887 4.175 545 2HB LYS 71 1HB LYS 71 16.601 0.411 5.173 546 1HG LYS 71 2HG LYS 71 15.685 -0.676 7.158 547 2HG LYS 71 1HG LYS 71 15.033 -1.937 6.099 548 1HD LYS 71 2HD LYS 71 17.286 -2.502 5.353 549 2HD LYS 71 1HD LYS 71 17.947 -1.277 6.438 550 1HE LYS 71 2HE LYS 71 17.031 -2.467 8.351 551 2HE LYS 71 1HE LYS 71 16.330 -3.670 7.269 552 1HZ LYS 71 1HZ LYS 71 18.386 -4.468 8.203 553 2HZ LYS 71 2HZ LYS 71 19.206 -3.113 7.663 554 3HZ LYS 71 3HZ LYS 71 18.593 -4.225 6.542 555 H SER 72 H SER 72 15.282 2.889 4.686 556 HA SER 72 HA SER 72 15.149 3.745 7.352 557 1HB SER 72 2HB SER 72 15.298 6.032 6.309 558 2HB SER 72 1HB SER 72 16.525 4.903 5.729 559 HG SER 72 HG SER 72 15.571 6.030 4.024 560 H VAL 73 H VAL 73 12.914 3.903 4.674 561 HA VAL 73 HA VAL 73 10.818 5.339 5.896 562 HB VAL 73 HB VAL 73 10.705 3.242 3.707 563 1HG1 VAL 73 1HG1 VAL 73 8.645 5.294 4.500 564 2HG1 VAL 73 2HG1 VAL 73 8.515 3.549 4.715 565 3HG1 VAL 73 3HG1 VAL 73 8.551 4.237 3.091 566 1HG2 VAL 73 1HG2 VAL 73 10.637 5.165 2.180 567 2HG2 VAL 73 2HG2 VAL 73 12.121 5.139 3.139 568 3HG2 VAL 73 3HG2 VAL 73 10.815 6.246 3.561 569 H ALA 74 H ALA 74 11.512 1.914 5.584 570 HA ALA 74 HA ALA 74 9.290 0.871 6.904 571 1HB ALA 74 1HB ALA 74 10.653 -1.118 7.274 572 2HB ALA 74 2HB ALA 74 12.099 -0.201 6.866 573 3HB ALA 74 3HB ALA 74 10.868 -0.494 5.639 574 H SER 75 H SER 75 12.468 1.771 8.167 575 HA SER 75 HA SER 75 11.986 1.197 10.853 576 1HB SER 75 2HB SER 75 14.233 1.620 9.903 577 2HB SER 75 1HB SER 75 13.801 3.310 9.650 578 HG SER 75 HG SER 75 13.591 3.532 11.903 579 H ASP 76 H ASP 76 11.327 4.064 8.916 580 HA ASP 76 HA ASP 76 10.646 5.805 11.040 581 1HB ASP 76 2HB ASP 76 11.276 6.611 8.789 582 2HB ASP 76 1HB ASP 76 9.811 5.897 8.130 583 H TRP 77 H TRP 77 8.752 3.606 9.066 584 HA TRP 77 HA TRP 77 6.418 4.399 10.526 585 1HB TRP 77 2HB TRP 77 6.753 2.698 8.110 586 2HB TRP 77 1HB TRP 77 5.198 2.828 8.932 587 HD1 TRP 77 HD TRP 77 7.602 4.805 6.714 588 HE1 TRP 77 1HE TRP 77 6.416 6.940 5.898 589 HE3 TRP 77 3HE TRP 77 3.365 4.541 9.562 590 HZ2 TRP 77 2HZ TRP 77 4.015 8.320 6.374 591 HZ3 TRP 77 3HZ TRP 77 1.671 6.308 9.316 592 HH2 TRP 77 HH TRP 77 1.993 8.160 7.758 593 H ALA 78 H ALA 78 8.802 2.438 11.209 594 HA ALA 78 HA ALA 78 9.170 0.800 12.715 595 1HB ALA 78 1HB ALA 78 7.497 0.345 14.427 596 2HB ALA 78 2HB ALA 78 6.261 1.144 13.456 597 3HB ALA 78 3HB ALA 78 7.600 2.080 14.120 598 H ILE 79 H ILE 79 8.296 0.162 10.036 599 HA ILE 79 HA ILE 79 6.605 -2.144 10.097 600 HB ILE 79 HB ILE 79 8.563 -1.291 7.940 601 1HG1 ILE 79 2HG1 ILE 79 6.942 0.492 8.385 602 2HG1 ILE 79 1HG1 ILE 79 6.637 -0.241 6.814 603 1HG2 ILE 79 1HG2 ILE 79 6.193 -3.154 7.780 604 2HG2 ILE 79 2HG2 ILE 79 7.891 -3.616 7.695 605 3HG2 ILE 79 3HG2 ILE 79 7.181 -2.631 6.416 606 1HD1 ILE 79 1HD1 ILE 79 4.785 -1.510 7.795 607 2HD1 ILE 79 2HD1 ILE 79 4.574 0.229 7.989 608 3HD1 ILE 79 3HD1 ILE 79 5.105 -0.753 9.356 609 H GLN 80 H GLN 80 7.333 -3.786 11.286 610 HA GLN 80 HA GLN 80 10.125 -4.674 10.922 611 1HB GLN 80 2HB GLN 80 9.561 -3.853 13.201 612 2HB GLN 80 1HB GLN 80 8.321 -5.084 13.312 613 1HG GLN 80 2HG GLN 80 10.029 -6.821 13.153 614 2HG GLN 80 1HG GLN 80 11.276 -5.582 13.057 615 1HE2 GLN 80 1HE2 GLN 80 12.272 -6.271 14.915 616 2HE2 GLN 80 2HE2 GLN 80 11.598 -6.029 16.486 617 H ALA 81 H ALA 81 6.790 -5.512 10.753 618 HA ALA 81 HA ALA 81 7.469 -8.319 10.308 619 1HB ALA 81 1HB ALA 81 5.748 -7.902 12.012 620 2HB ALA 81 2HB ALA 81 5.099 -8.779 10.625 621 3HB ALA 81 3HB ALA 81 4.777 -7.055 10.809 622 H MET 82 H MET 82 6.817 -9.317 8.414 623 HA MET 82 HA MET 82 6.056 -7.448 6.328 624 1HB MET 82 2HB MET 82 7.954 -9.774 6.140 625 2HB MET 82 1HB MET 82 7.437 -8.767 4.817 626 1HG MET 82 2HG MET 82 8.552 -6.857 5.687 627 2HG MET 82 1HG MET 82 8.898 -7.680 7.209 628 1HE MET 82 1HE MET 82 9.139 -9.314 3.663 629 2HE MET 82 2HE MET 82 10.807 -8.976 3.224 630 3HE MET 82 3HE MET 82 9.641 -7.654 3.326 631 HA PRO 83 HA PRO 83 5.241 -7.346 4.659 632 1HB PRO 83 2HB PRO 83 3.104 -7.296 3.017 633 2HB PRO 83 1HB PRO 83 4.536 -8.267 2.661 634 1HG PRO 83 2HG PRO 83 1.870 -9.132 3.592 635 2HG PRO 83 1HG PRO 83 3.087 -10.023 2.665 636 1HD PRO 83 2HD PRO 83 2.561 -10.167 5.477 637 2HD PRO 83 1HD PRO 83 3.820 -11.017 4.564 638 H THR 84 H THR 84 4.125 -5.245 4.912 639 HA THR 84 HA THR 84 1.810 -5.398 6.697 640 HB THR 84 HB THR 84 3.850 -3.274 6.513 641 HG1 THR 84 1HG THR 84 4.489 -5.304 7.627 642 1HG2 THR 84 1HG2 THR 84 1.522 -3.563 8.421 643 2HG2 THR 84 2HG2 THR 84 1.698 -2.343 7.162 644 3HG2 THR 84 3HG2 THR 84 2.768 -2.322 8.565 645 H PHE 85 H PHE 85 -0.063 -4.560 5.941 646 HA PHE 85 HA PHE 85 0.045 -2.893 3.566 647 1HB PHE 85 2HB PHE 85 -2.095 -4.638 4.763 648 2HB PHE 85 1HB PHE 85 -2.317 -3.593 3.374 649 HD1 PHE 85 1HD PHE 85 -1.238 -4.144 1.245 650 HD2 PHE 85 2HD PHE 85 -0.942 -6.720 4.614 651 HE1 PHE 85 1HE PHE 85 -0.489 -5.965 -0.221 652 HE2 PHE 85 2HE PHE 85 -0.191 -8.549 3.153 653 HZ PHE 85 HZ PHE 85 0.035 -8.166 0.728 654 H MET 86 H MET 86 -0.411 -0.821 3.915 655 HA MET 86 HA MET 86 -1.979 -0.148 6.309 656 1HB MET 86 2HB MET 86 0.303 0.636 6.407 657 2HB MET 86 1HB MET 86 0.098 1.476 4.865 658 1HG MET 86 2HG MET 86 -1.557 2.933 5.904 659 2HG MET 86 1HG MET 86 -1.345 2.109 7.443 660 1HE MET 86 1HE MET 86 0.977 2.144 8.821 661 2HE MET 86 2HE MET 86 2.403 3.022 8.283 662 3HE MET 86 3HE MET 86 1.862 1.604 7.393 663 H PHE 87 H PHE 87 -3.923 0.649 5.926 664 HA PHE 87 HA PHE 87 -4.567 1.533 3.260 665 1HB PHE 87 2HB PHE 87 -6.167 0.513 5.580 666 2HB PHE 87 1HB PHE 87 -6.839 1.074 4.064 667 HD1 PHE 87 1HD PHE 87 -4.852 -1.569 5.689 668 HD2 PHE 87 2HD PHE 87 -6.824 -0.354 2.118 669 HE1 PHE 87 1HE PHE 87 -4.634 -3.848 4.798 670 HE2 PHE 87 2HE PHE 87 -6.606 -2.634 1.220 671 HZ PHE 87 HZ PHE 87 -5.509 -4.384 2.563 672 H LEU 88 H LEU 88 -4.723 3.722 3.080 673 HA LEU 88 HA LEU 88 -5.396 5.142 5.515 674 1HB LEU 88 2HB LEU 88 -3.777 6.162 3.158 675 2HB LEU 88 1HB LEU 88 -4.078 7.024 4.645 676 HG LEU 88 HG LEU 88 -2.382 4.543 4.357 677 1HD1 LEU 88 1HD1 LEU 88 -0.517 6.045 4.845 678 2HD1 LEU 88 2HD1 LEU 88 -1.621 7.420 4.831 679 3HD1 LEU 88 3HD1 LEU 88 -1.338 6.498 3.354 680 1HD2 LEU 88 1HD2 LEU 88 -1.727 4.984 6.652 681 2HD2 LEU 88 2HD2 LEU 88 -3.463 4.680 6.531 682 3HD2 LEU 88 3HD2 LEU 88 -2.851 6.336 6.704 683 H LYS 89 H LYS 89 -6.600 7.252 4.926 684 HA LYS 89 HA LYS 89 -7.612 7.343 2.224 685 1HB LYS 89 2HB LYS 89 -9.347 6.137 3.361 686 2HB LYS 89 1HB LYS 89 -9.432 7.382 4.612 687 1HG LYS 89 2HG LYS 89 -10.220 8.981 3.018 688 2HG LYS 89 1HG LYS 89 -10.054 7.828 1.697 689 1HD LYS 89 2HD LYS 89 -11.766 6.417 2.787 690 2HD LYS 89 1HD LYS 89 -11.943 7.645 4.046 691 1HE LYS 89 2HE LYS 89 -12.546 9.293 2.359 692 2HE LYS 89 1HE LYS 89 -12.381 8.080 1.100 693 1HZ LYS 89 1HZ LYS 89 -14.681 8.407 1.721 694 2HZ LYS 89 2HZ LYS 89 -14.350 7.987 3.320 695 3HZ LYS 89 3HZ LYS 89 -14.186 6.848 2.083 696 H GLU 90 H GLU 90 -7.482 9.217 1.403 697 HA GLU 90 HA GLU 90 -7.181 11.302 1.070 698 1HB GLU 90 2HB GLU 90 -8.876 11.593 3.512 699 2HB GLU 90 1HB GLU 90 -8.486 12.954 2.469 700 1HG GLU 90 2HG GLU 90 -9.550 11.719 0.579 701 2HG GLU 90 1HG GLU 90 -10.045 10.473 1.708 702 H GLY 91 H GLY 91 -5.266 9.926 2.751 703 1HA GLY 91 2HA GLY 91 -3.133 10.646 3.437 704 2HA GLY 91 1HA GLY 91 -3.783 12.262 3.659 705 H LYS 92 H LYS 92 -5.840 10.051 5.129 706 HA LYS 92 HA LYS 92 -4.436 10.390 7.696 707 1HB LYS 92 2HB LYS 92 -6.630 11.681 7.322 708 2HB LYS 92 1HB LYS 92 -7.423 10.118 7.295 709 1HG LYS 92 2HG LYS 92 -7.753 10.694 9.468 710 2HG LYS 92 1HG LYS 92 -6.239 9.818 9.609 711 1HD LYS 92 2HD LYS 92 -6.618 12.837 9.598 712 2HD LYS 92 1HD LYS 92 -6.178 11.852 10.972 713 1HE LYS 92 2HE LYS 92 -4.179 12.921 10.332 714 2HE LYS 92 1HE LYS 92 -4.026 11.320 9.633 715 1HZ LYS 92 1HZ LYS 92 -4.876 13.763 8.165 716 2HZ LYS 92 2HZ LYS 92 -4.629 12.265 7.442 717 3HZ LYS 92 3HZ LYS 92 -3.363 13.096 8.106 718 H ILE 93 H ILE 93 -4.512 8.515 9.118 719 HA ILE 93 HA ILE 93 -4.500 6.017 7.719 720 HB ILE 93 HB ILE 93 -4.220 6.585 10.692 721 1HG1 ILE 93 2HG1 ILE 93 -2.087 6.037 8.615 722 2HG1 ILE 93 1HG1 ILE 93 -2.425 7.618 9.304 723 1HG2 ILE 93 1HG2 ILE 93 -3.228 4.337 10.858 724 2HG2 ILE 93 2HG2 ILE 93 -3.598 4.055 9.159 725 3HG2 ILE 93 3HG2 ILE 93 -4.909 4.277 10.320 726 1HD1 ILE 93 1HD1 ILE 93 -1.746 6.754 11.509 727 2HD1 ILE 93 2HD1 ILE 93 -0.465 6.623 10.307 728 3HD1 ILE 93 3HD1 ILE 93 -1.392 5.195 10.766 729 H LEU 94 H LEU 94 -6.116 4.582 7.436 730 HA LEU 94 HA LEU 94 -8.508 4.880 9.064 731 1HB LEU 94 2HB LEU 94 -7.978 3.319 6.557 732 2HB LEU 94 1HB LEU 94 -9.454 3.191 7.445 733 HG LEU 94 HG LEU 94 -8.431 5.591 5.939 734 1HD1 LEU 94 1HD1 LEU 94 -9.391 3.884 4.545 735 2HD1 LEU 94 2HD1 LEU 94 -10.536 5.230 4.672 736 3HD1 LEU 94 3HD1 LEU 94 -10.797 3.763 5.596 737 1HD2 LEU 94 1HD2 LEU 94 -9.520 6.352 8.001 738 2HD2 LEU 94 2HD2 LEU 94 -10.928 5.355 7.630 739 3HD2 LEU 94 3HD2 LEU 94 -10.516 6.711 6.590 740 H ASP 95 H ASP 95 -6.344 2.289 7.783 741 HA ASP 95 HA ASP 95 -6.397 0.957 10.214 742 1HB ASP 95 2HB ASP 95 -7.394 -1.125 9.175 743 2HB ASP 95 1HB ASP 95 -8.521 0.073 9.825 744 H LYS 96 H LYS 96 -5.218 -1.060 10.128 745 HA LYS 96 HA LYS 96 -3.382 -1.117 7.867 746 1HB LYS 96 2HB LYS 96 -2.592 0.438 9.689 747 2HB LYS 96 1HB LYS 96 -2.566 -0.963 10.747 748 1HG LYS 96 2HG LYS 96 -0.940 -2.020 9.204 749 2HG LYS 96 1HG LYS 96 -0.993 -0.490 8.300 750 1HD LYS 96 2HD LYS 96 0.975 -0.537 9.823 751 2HD LYS 96 1HD LYS 96 -0.164 0.744 10.238 752 1HE LYS 96 2HE LYS 96 -1.093 -0.676 12.034 753 2HE LYS 96 1HE LYS 96 0.043 -1.951 11.603 754 1HZ LYS 96 1HZ LYS 96 0.808 -0.700 13.491 755 2HZ LYS 96 2HZ LYS 96 0.723 0.743 12.655 756 3HZ LYS 96 3HZ LYS 96 1.860 -0.413 12.219 757 H VAL 97 H VAL 97 -2.699 -3.183 7.465 758 HA VAL 97 HA VAL 97 -3.441 -5.289 9.384 759 HB VAL 97 HB VAL 97 -3.227 -5.488 6.357 760 1HG1 VAL 97 1HG1 VAL 97 -2.565 -7.567 7.447 761 2HG1 VAL 97 2HG1 VAL 97 -4.113 -7.761 6.621 762 3HG1 VAL 97 3HG1 VAL 97 -4.068 -7.574 8.374 763 1HG2 VAL 97 1HG2 VAL 97 -5.661 -5.590 8.137 764 2HG2 VAL 97 2HG2 VAL 97 -5.657 -5.853 6.394 765 3HG2 VAL 97 3HG2 VAL 97 -5.224 -4.274 7.052 766 H VAL 98 H VAL 98 -1.714 -6.237 10.269 767 HA VAL 98 HA VAL 98 0.799 -6.009 8.830 768 HB VAL 98 HB VAL 98 0.777 -4.863 10.989 769 1HG1 VAL 98 1HG1 VAL 98 0.683 -6.083 13.117 770 2HG1 VAL 98 2HG1 VAL 98 0.217 -7.542 12.235 771 3HG1 VAL 98 3HG1 VAL 98 -0.832 -6.124 12.219 772 1HG2 VAL 98 1HG2 VAL 98 2.541 -7.300 10.988 773 2HG2 VAL 98 2HG2 VAL 98 2.800 -5.860 11.971 774 3HG2 VAL 98 3HG2 VAL 98 2.884 -5.754 10.213 775 H GLY 99 H GLY 99 1.547 -7.766 7.903 776 1HA GLY 99 2HA GLY 99 2.365 -9.980 8.036 777 2HA GLY 99 1HA GLY 99 1.095 -10.342 9.205 778 H ALA 100 H ALA 100 1.622 -11.873 6.853 779 HA ALA 100 HA ALA 100 -0.482 -11.086 5.017 780 1HB ALA 100 1HB ALA 100 1.619 -11.943 4.094 781 2HB ALA 100 2HB ALA 100 0.263 -12.990 3.675 782 3HB ALA 100 3HB ALA 100 1.380 -13.461 4.956 783 H LYS 101 H LYS 101 -2.401 -11.462 5.771 784 HA LYS 101 HA LYS 101 -3.077 -14.195 6.522 785 1HB LYS 101 2HB LYS 101 -4.347 -11.594 7.329 786 2HB LYS 101 1HB LYS 101 -4.946 -13.185 7.744 787 1HG LYS 101 2HG LYS 101 -2.968 -13.547 9.158 788 2HG LYS 101 1HG LYS 101 -2.361 -11.941 8.709 789 1HD LYS 101 2HD LYS 101 -4.415 -11.047 9.554 790 2HD LYS 101 1HD LYS 101 -4.829 -12.679 10.088 791 1HE LYS 101 2HE LYS 101 -2.912 -12.721 11.557 792 2HE LYS 101 1HE LYS 101 -2.398 -11.135 10.973 793 1HZ LYS 101 1HZ LYS 101 -4.897 -11.712 12.468 794 2HZ LYS 101 2HZ LYS 101 -4.474 -10.217 11.840 795 3HZ LYS 101 3HZ LYS 101 -3.547 -10.897 13.074 796 H LYS 102 H LYS 102 -4.072 -14.975 4.698 797 HA LYS 102 HA LYS 102 -4.889 -13.325 2.626 798 1HB LYS 102 2HB LYS 102 -4.260 -15.674 2.351 799 2HB LYS 102 1HB LYS 102 -5.712 -16.142 3.236 800 1HG LYS 102 2HG LYS 102 -7.079 -15.101 1.534 801 2HG LYS 102 1HG LYS 102 -5.617 -14.676 0.636 802 1HD LYS 102 2HD LYS 102 -6.539 -17.486 1.280 803 2HD LYS 102 1HD LYS 102 -6.709 -16.688 -0.283 804 1HE LYS 102 2HE LYS 102 -4.246 -16.523 -0.433 805 2HE LYS 102 1HE LYS 102 -4.117 -17.366 1.110 806 1HZ LYS 102 1HZ LYS 102 -5.319 -18.471 -1.363 807 2HZ LYS 102 2HZ LYS 102 -5.195 -19.295 0.092 808 3HZ LYS 102 3HZ LYS 102 -3.805 -18.867 -0.759 809 H ASP 103 H ASP 103 -6.721 -15.007 5.131 810 HA ASP 103 HA ASP 103 -9.268 -14.246 4.162 811 1HB ASP 103 2HB ASP 103 -9.039 -16.196 5.573 812 2HB ASP 103 1HB ASP 103 -8.455 -15.202 6.901 813 H GLU 104 H GLU 104 -7.311 -12.944 6.818 814 HA GLU 104 HA GLU 104 -9.169 -10.932 7.528 815 1HB GLU 104 2HB GLU 104 -7.382 -11.595 9.078 816 2HB GLU 104 1HB GLU 104 -6.180 -10.993 7.949 817 1HG GLU 104 2HG GLU 104 -6.950 -8.727 8.267 818 2HG GLU 104 1HG GLU 104 -8.248 -9.289 9.319 819 H LEU 105 H LEU 105 -6.615 -11.033 5.150 820 HA LEU 105 HA LEU 105 -6.582 -8.308 4.504 821 1HB LEU 105 2HB LEU 105 -5.010 -10.091 3.674 822 2HB LEU 105 1HB LEU 105 -6.279 -10.611 2.628 823 HG LEU 105 HG LEU 105 -6.337 -8.478 1.467 824 1HD1 LEU 105 1HD1 LEU 105 -3.970 -7.748 3.196 825 2HD1 LEU 105 2HD1 LEU 105 -5.568 -6.994 3.227 826 3HD1 LEU 105 3HD1 LEU 105 -4.543 -6.825 1.808 827 1HD2 LEU 105 1HD2 LEU 105 -4.944 -10.266 0.588 828 2HD2 LEU 105 2HD2 LEU 105 -3.592 -9.709 1.583 829 3HD2 LEU 105 3HD2 LEU 105 -4.207 -8.694 0.278 830 H GLN 106 H GLN 106 -8.334 -11.019 3.196 831 HA GLN 106 HA GLN 106 -9.914 -9.632 1.296 832 1HB GLN 106 2HB GLN 106 -10.897 -12.039 2.859 833 2HB GLN 106 1HB GLN 106 -11.511 -11.475 1.321 834 1HG GLN 106 2HG GLN 106 -8.869 -12.793 1.882 835 2HG GLN 106 1HG GLN 106 -10.221 -13.428 0.954 836 1HE2 GLN 106 1HE2 GLN 106 -7.486 -11.384 0.985 837 2HE2 GLN 106 2HE2 GLN 106 -7.466 -11.014 -0.708 838 H SER 107 H SER 107 -10.459 -10.227 4.708 839 HA SER 107 HA SER 107 -13.062 -9.134 4.826 840 1HB SER 107 2HB SER 107 -12.166 -10.605 6.596 841 2HB SER 107 1HB SER 107 -10.944 -9.398 6.987 842 HG SER 107 HG SER 107 -13.727 -9.323 7.379 843 H THR 108 H THR 108 -9.866 -7.737 5.222 844 HA THR 108 HA THR 108 -10.799 -5.158 5.918 845 HB THR 108 HB THR 108 -8.115 -5.959 4.748 846 HG1 THR 108 1HG THR 108 -8.373 -7.108 6.627 847 1HG2 THR 108 1HG2 THR 108 -8.550 -3.529 4.715 848 2HG2 THR 108 2HG2 THR 108 -7.300 -3.933 5.887 849 3HG2 THR 108 3HG2 THR 108 -8.937 -3.574 6.435 850 H ILE 109 H ILE 109 -10.056 -6.797 2.880 851 HA ILE 109 HA ILE 109 -10.211 -4.489 1.263 852 HB ILE 109 HB ILE 109 -10.796 -7.363 0.479 853 1HG1 ILE 109 2HG1 ILE 109 -8.528 -7.168 1.325 854 2HG1 ILE 109 1HG1 ILE 109 -8.482 -7.353 -0.423 855 1HG2 ILE 109 1HG2 ILE 109 -10.181 -4.963 -1.231 856 2HG2 ILE 109 2HG2 ILE 109 -11.735 -5.786 -1.111 857 3HG2 ILE 109 3HG2 ILE 109 -10.350 -6.617 -1.831 858 1HD1 ILE 109 1HD1 ILE 109 -8.111 -4.942 -0.648 859 2HD1 ILE 109 2HD1 ILE 109 -6.862 -5.728 0.315 860 3HD1 ILE 109 3HD1 ILE 109 -8.122 -4.785 1.110 861 H ALA 110 H ALA 110 -12.620 -6.902 2.270 862 HA ALA 110 HA ALA 110 -14.770 -5.787 0.834 863 1HB ALA 110 1HB ALA 110 -14.807 -8.061 1.784 864 2HB ALA 110 2HB ALA 110 -16.195 -7.107 2.309 865 3HB ALA 110 3HB ALA 110 -14.838 -7.369 3.406 866 H LYS 111 H LYS 111 -13.370 -5.015 3.892 867 HA LYS 111 HA LYS 111 -15.313 -3.317 5.009 868 1HB LYS 111 2HB LYS 111 -13.101 -4.127 5.994 869 2HB LYS 111 1HB LYS 111 -12.420 -2.884 4.983 870 1HG LYS 111 2HG LYS 111 -13.689 -1.145 6.122 871 2HG LYS 111 1HG LYS 111 -14.366 -2.364 7.202 872 1HD LYS 111 2HD LYS 111 -12.111 -2.895 8.008 873 2HD LYS 111 1HD LYS 111 -11.446 -1.654 6.945 874 1HE LYS 111 2HE LYS 111 -12.867 0.025 8.112 875 2HE LYS 111 1HE LYS 111 -13.368 -1.235 9.223 876 1HZ LYS 111 1HZ LYS 111 -10.591 -0.277 8.828 877 2HZ LYS 111 2HZ LYS 111 -11.051 -1.530 9.863 878 3HZ LYS 111 3HZ LYS 111 -11.558 0.028 10.180 879 H HIS 112 H HIS 112 -12.663 -2.717 2.780 880 HA HIS 112 HA HIS 112 -13.314 0.066 2.485 881 1HB HIS 112 2HB HIS 112 -11.162 -1.682 1.333 882 2HB HIS 112 1HB HIS 112 -11.385 -0.013 0.858 883 HD1 HIS 112 1HD HIS 112 -10.307 1.730 2.357 884 HD2 HIS 112 2HD HIS 112 -10.371 -2.014 4.131 885 HE1 HIS 112 1HE HIS 112 -8.895 1.923 4.412 886 HE2 HIS 112 2HE HIS 112 -8.897 -0.362 5.443 887 H LEU 113 H LEU 113 -14.155 -2.888 0.843 888 HA LEU 113 HA LEU 113 -14.510 -1.860 -1.726 889 1HB LEU 113 2HB LEU 113 -14.322 -4.308 -0.849 890 2HB LEU 113 1HB LEU 113 -16.011 -4.076 -0.471 891 HG LEU 113 HG LEU 113 -14.903 -3.756 -3.127 892 1HD1 LEU 113 1HD1 LEU 113 -14.507 -6.039 -2.409 893 2HD1 LEU 113 2HD1 LEU 113 -15.811 -6.068 -3.601 894 3HD1 LEU 113 3HD1 LEU 113 -16.183 -6.203 -1.875 895 1HD2 LEU 113 1HD2 LEU 113 -17.249 -4.155 -3.923 896 2HD2 LEU 113 2HD2 LEU 113 -17.087 -2.719 -2.906 897 3HD2 LEU 113 3HD2 LEU 113 -17.756 -4.206 -2.235 898 H ALA 114 H ALA 114 -15.901 -0.351 -2.234 899 HA ALA 114 HA ALA 114 -18.650 -0.478 -1.641 900 1HB ALA 114 1HB ALA 114 -18.838 1.653 -0.407 901 2HB ALA 114 2HB ALA 114 -17.083 1.770 -0.326 902 3HB ALA 114 3HB ALA 114 -17.918 0.472 0.524 Start of MODEL 17 1 H MET 1 H MET 1 -8.686 5.099 -21.184 2 HA MET 1 HA MET 1 -7.795 4.096 -23.714 3 1HB MET 1 2HB MET 1 -7.186 6.340 -24.604 4 2HB MET 1 1HB MET 1 -8.926 6.174 -24.453 5 1HG MET 1 2HG MET 1 -8.893 7.470 -22.395 6 2HG MET 1 1HG MET 1 -7.138 7.591 -22.487 7 1HE MET 1 1HE MET 1 -9.056 10.066 -22.084 8 2HE MET 1 2HE MET 1 -8.308 11.233 -23.174 9 3HE MET 1 3HE MET 1 -7.299 10.172 -22.186 10 H ALA 2 H ALA 2 -5.648 3.630 -23.446 11 HA ALA 2 HA ALA 2 -3.754 3.224 -22.288 12 1HB ALA 2 1HB ALA 2 -2.389 5.194 -21.726 13 2HB ALA 2 2HB ALA 2 -3.807 6.232 -21.868 14 3HB ALA 2 3HB ALA 2 -3.171 5.414 -23.292 15 H SER 3 H SER 3 -5.194 2.128 -20.840 16 HA SER 3 HA SER 3 -6.392 3.116 -18.623 17 1HB SER 3 2HB SER 3 -5.233 0.376 -19.039 18 2HB SER 3 1HB SER 3 -6.512 0.816 -17.902 19 HG SER 3 HG SER 3 -7.864 1.214 -19.502 20 H GLU 4 H GLU 4 -5.367 4.389 -17.218 21 HA GLU 4 HA GLU 4 -2.837 3.551 -16.111 22 1HB GLU 4 2HB GLU 4 -3.359 5.986 -16.637 23 2HB GLU 4 1HB GLU 4 -4.524 5.943 -15.327 24 1HG GLU 4 2HG GLU 4 -2.461 6.958 -14.587 25 2HG GLU 4 1HG GLU 4 -2.709 5.423 -13.752 26 H GLU 5 H GLU 5 -3.616 1.643 -15.259 27 HA GLU 5 HA GLU 5 -4.820 1.883 -12.639 28 1HB GLU 5 2HB GLU 5 -6.486 0.125 -13.114 29 2HB GLU 5 1HB GLU 5 -6.753 1.535 -14.129 30 1HG GLU 5 2HG GLU 5 -5.667 0.387 -16.005 31 2HG GLU 5 1HG GLU 5 -5.420 -1.026 -14.988 32 H GLY 6 H GLY 6 -4.464 -0.110 -11.415 33 1HA GLY 6 2HA GLY 6 -3.376 -2.087 -10.926 34 2HA GLY 6 1HA GLY 6 -2.867 -2.189 -12.606 35 H GLN 7 H GLN 7 -2.249 0.787 -11.202 36 HA GLN 7 HA GLN 7 0.481 -0.011 -11.199 37 1HB GLN 7 2HB GLN 7 1.069 2.409 -11.277 38 2HB GLN 7 1HB GLN 7 0.352 1.677 -12.687 39 1HG GLN 7 2HG GLN 7 -0.632 3.833 -12.534 40 2HG GLN 7 1HG GLN 7 -1.849 2.769 -11.859 41 1HE2 GLN 7 1HE2 GLN 7 -2.343 2.967 -9.644 42 2HE2 GLN 7 2HE2 GLN 7 -1.774 4.278 -8.702 43 H VAL 8 H VAL 8 1.784 0.065 -9.811 44 HA VAL 8 HA VAL 8 0.922 0.944 -7.176 45 HB VAL 8 HB VAL 8 1.119 -1.490 -7.605 46 1HG1 VAL 8 1HG1 VAL 8 3.321 -2.596 -7.505 47 2HG1 VAL 8 2HG1 VAL 8 4.070 -1.019 -7.734 48 3HG1 VAL 8 3HG1 VAL 8 3.019 -1.684 -8.984 49 1HG2 VAL 8 1HG2 VAL 8 1.051 -0.696 -5.366 50 2HG2 VAL 8 2HG2 VAL 8 2.768 -0.321 -5.390 51 3HG2 VAL 8 3HG2 VAL 8 2.231 -2.005 -5.433 52 H ILE 9 H ILE 9 2.273 2.334 -6.140 53 HA ILE 9 HA ILE 9 4.466 3.305 -7.756 54 HB ILE 9 HB ILE 9 3.111 4.410 -5.309 55 1HG1 ILE 9 2HG1 ILE 9 2.985 5.264 -8.208 56 2HG1 ILE 9 1HG1 ILE 9 1.729 4.393 -7.340 57 1HG2 ILE 9 1HG2 ILE 9 4.380 6.468 -5.761 58 2HG2 ILE 9 2HG2 ILE 9 5.241 5.644 -7.063 59 3HG2 ILE 9 3HG2 ILE 9 5.454 5.119 -5.393 60 1HD1 ILE 9 1HD1 ILE 9 1.197 6.746 -7.547 61 2HD1 ILE 9 2HD1 ILE 9 2.707 7.167 -6.734 62 3HD1 ILE 9 3HD1 ILE 9 1.444 6.309 -5.852 63 H ALA 10 H ALA 10 6.366 2.396 -7.369 64 HA ALA 10 HA ALA 10 6.964 1.440 -4.709 65 1HB ALA 10 1HB ALA 10 7.462 -0.049 -6.593 66 2HB ALA 10 2HB ALA 10 8.944 0.422 -5.764 67 3HB ALA 10 3HB ALA 10 8.512 1.181 -7.295 68 H CYS 11 H CYS 11 7.730 3.043 -3.371 69 HA CYS 11 HA CYS 11 9.282 5.165 -4.521 70 1HB CYS 11 2HB CYS 11 8.463 4.735 -1.652 71 2HB CYS 11 1HB CYS 11 9.139 6.150 -2.382 72 HG CYS 11 HG CYS 11 5.971 4.980 -2.885 73 H HIS 12 H HIS 12 11.389 5.234 -4.371 74 HA HIS 12 HA HIS 12 12.736 3.140 -2.810 75 1HB HIS 12 2HB HIS 12 13.719 4.657 -5.243 76 2HB HIS 12 1HB HIS 12 14.637 3.439 -4.370 77 HD1 HIS 12 1HD HIS 12 14.378 1.042 -5.255 78 HD2 HIS 12 2HD HIS 12 11.283 3.550 -6.459 79 HE1 HIS 12 1HE HIS 12 13.006 -0.286 -6.780 80 HE2 HIS 12 2HE HIS 12 11.363 1.326 -7.745 81 H THR 13 H THR 13 11.888 6.255 -2.603 82 HA THR 13 HA THR 13 14.097 6.939 -0.867 83 HB THR 13 HB THR 13 14.221 9.258 -1.916 84 HG1 THR 13 1HG THR 13 12.798 7.899 -3.936 85 1HG2 THR 13 1HG2 THR 13 15.790 8.617 -3.713 86 2HG2 THR 13 2HG2 THR 13 15.187 6.959 -3.634 87 3HG2 THR 13 3HG2 THR 13 16.047 7.649 -2.262 88 H VAL 14 H VAL 14 13.512 8.582 0.652 89 HA VAL 14 HA VAL 14 10.754 8.589 1.230 90 HB VAL 14 HB VAL 14 12.474 8.657 3.025 91 1HG1 VAL 14 1HG1 VAL 14 12.948 11.482 2.139 92 2HG1 VAL 14 2HG1 VAL 14 14.087 10.141 2.063 93 3HG1 VAL 14 3HG1 VAL 14 13.556 10.764 3.626 94 1HG2 VAL 14 1HG2 VAL 14 11.369 10.285 4.506 95 2HG2 VAL 14 2HG2 VAL 14 10.212 9.319 3.586 96 3HG2 VAL 14 3HG2 VAL 14 10.550 10.980 3.105 97 H GLU 15 H GLU 15 12.859 10.689 -0.608 98 HA GLU 15 HA GLU 15 11.584 13.059 -0.648 99 1HB GLU 15 2HB GLU 15 13.022 11.438 -2.737 100 2HB GLU 15 1HB GLU 15 12.500 13.085 -2.963 101 1HG GLU 15 2HG GLU 15 14.898 12.926 -2.445 102 2HG GLU 15 1HG GLU 15 14.030 13.852 -1.233 103 H THR 16 H THR 16 11.090 10.160 -2.653 104 HA THR 16 HA THR 16 8.879 11.167 -4.111 105 HB THR 16 HB THR 16 9.682 8.294 -3.590 106 HG1 THR 16 1HG THR 16 10.807 10.319 -5.064 107 1HG2 THR 16 1HG2 THR 16 8.584 7.854 -5.753 108 2HG2 THR 16 2HG2 THR 16 8.133 9.554 -5.862 109 3HG2 THR 16 3HG2 THR 16 7.444 8.542 -4.596 110 H TRP 17 H TRP 17 9.252 9.112 -1.273 111 HA TRP 17 HA TRP 17 6.679 8.226 -0.793 112 1HB TRP 17 2HB TRP 17 8.568 7.374 0.447 113 2HB TRP 17 1HB TRP 17 8.900 8.987 1.066 114 HD1 TRP 17 HD TRP 17 7.867 9.633 3.314 115 HE1 TRP 17 1HE TRP 17 6.285 8.513 4.966 116 HE3 TRP 17 3HE TRP 17 6.413 5.673 0.443 117 HZ2 TRP 17 2HZ TRP 17 4.615 6.236 5.060 118 HZ3 TRP 17 3HZ TRP 17 4.818 4.072 1.391 119 HH2 TRP 17 HH TRP 17 3.938 4.351 3.662 120 H ASN 18 H ASN 18 8.213 11.134 0.544 121 HA ASN 18 HA ASN 18 6.000 12.070 1.991 122 1HB ASN 18 2HB ASN 18 8.311 12.819 2.352 123 2HB ASN 18 1HB ASN 18 8.293 13.616 0.793 124 1HD2 ASN 18 1HD2 ASN 18 8.692 15.591 1.673 125 2HD2 ASN 18 2HD2 ASN 18 7.533 16.514 2.554 126 H GLU 19 H GLU 19 7.117 12.710 -1.251 127 HA GLU 19 HA GLU 19 5.296 14.766 -1.874 128 1HB GLU 19 2HB GLU 19 7.367 14.416 -3.112 129 2HB GLU 19 1HB GLU 19 6.763 12.881 -3.711 130 1HG GLU 19 2HG GLU 19 5.043 14.002 -4.969 131 2HG GLU 19 1HG GLU 19 5.531 15.559 -4.304 132 H GLN 20 H GLN 20 5.086 11.194 -2.377 133 HA GLN 20 HA GLN 20 2.767 11.235 -3.840 134 1HB GLN 20 2HB GLN 20 3.990 9.277 -2.023 135 2HB GLN 20 1HB GLN 20 2.630 8.896 -3.060 136 1HG GLN 20 2HG GLN 20 5.398 9.740 -3.944 137 2HG GLN 20 1HG GLN 20 4.770 8.101 -4.012 138 1HE2 GLN 20 1HE2 GLN 20 5.164 8.016 -6.208 139 2HE2 GLN 20 2HE2 GLN 20 4.190 8.796 -7.383 140 H LEU 21 H LEU 21 3.360 11.085 -0.296 141 HA LEU 21 HA LEU 21 0.724 10.747 0.439 142 1HB LEU 21 2HB LEU 21 3.127 11.891 1.661 143 2HB LEU 21 1HB LEU 21 1.650 11.668 2.548 144 HG LEU 21 HG LEU 21 3.448 9.526 1.375 145 1HD1 LEU 21 1HD1 LEU 21 2.768 10.190 4.231 146 2HD1 LEU 21 2HD1 LEU 21 4.299 10.514 3.418 147 3HD1 LEU 21 3HD1 LEU 21 3.781 8.851 3.698 148 1HD2 LEU 21 1HD2 LEU 21 1.115 8.820 1.158 149 2HD2 LEU 21 2HD2 LEU 21 0.836 9.184 2.861 150 3HD2 LEU 21 3HD2 LEU 21 1.933 7.881 2.408 151 H GLN 22 H GLN 22 2.770 13.556 0.000 152 HA GLN 22 HA GLN 22 0.995 15.534 0.789 153 1HB GLN 22 2HB GLN 22 3.337 16.008 0.298 154 2HB GLN 22 1HB GLN 22 3.092 15.608 -1.392 155 1HG GLN 22 2HG GLN 22 3.251 18.017 -1.043 156 2HG GLN 22 1HG GLN 22 1.672 17.563 -1.670 157 1HE2 GLN 22 1HE2 GLN 22 -0.125 17.802 -0.365 158 2HE2 GLN 22 2HE2 GLN 22 -0.097 18.750 1.083 159 H LYS 23 H LYS 23 1.419 14.009 -2.370 160 HA LYS 23 HA LYS 23 -0.586 15.403 -3.749 161 1HB LYS 23 2HB LYS 23 1.103 14.118 -4.929 162 2HB LYS 23 1HB LYS 23 0.516 12.629 -4.203 163 1HG LYS 23 2HG LYS 23 -1.595 12.859 -5.405 164 2HG LYS 23 1HG LYS 23 -1.031 14.370 -6.115 165 1HD LYS 23 2HD LYS 23 0.773 13.193 -7.231 166 2HD LYS 23 1HD LYS 23 0.265 11.675 -6.482 167 1HE LYS 23 2HE LYS 23 -1.867 11.794 -7.643 168 2HE LYS 23 1HE LYS 23 -1.425 13.344 -8.346 169 1HZ LYS 23 1HZ LYS 23 -0.041 10.766 -8.835 170 2HZ LYS 23 2HZ LYS 23 0.398 12.242 -9.491 171 3HZ LYS 23 3HZ LYS 23 -1.082 11.543 -9.921 172 H ALA 24 H ALA 24 -0.715 12.306 -1.942 173 HA ALA 24 HA ALA 24 -3.395 11.721 -2.569 174 1HB ALA 24 1HB ALA 24 -1.801 10.907 -0.135 175 2HB ALA 24 2HB ALA 24 -1.829 10.050 -1.676 176 3HB ALA 24 3HB ALA 24 -3.291 10.148 -0.693 177 H ASN 25 H ASN 25 -1.911 13.442 0.079 178 HA ASN 25 HA ASN 25 -4.120 13.985 1.731 179 1HB ASN 25 2HB ASN 25 -1.672 14.419 2.183 180 2HB ASN 25 1HB ASN 25 -1.800 15.773 1.119 181 1HD2 ASN 25 1HD2 ASN 25 -1.252 17.249 2.733 182 2HD2 ASN 25 2HD2 ASN 25 -2.388 17.703 3.944 183 H GLU 26 H GLU 26 -2.586 15.873 -0.692 184 HA GLU 26 HA GLU 26 -4.243 18.143 -0.767 185 1HB GLU 26 2HB GLU 26 -2.020 18.088 -1.750 186 2HB GLU 26 1HB GLU 26 -2.555 16.929 -2.952 187 1HG GLU 26 2HG GLU 26 -4.063 18.639 -3.880 188 2HG GLU 26 1HG GLU 26 -3.445 19.791 -2.697 189 H SER 27 H SER 27 -4.423 15.154 -2.669 190 HA SER 27 HA SER 27 -6.630 16.141 -4.237 191 1HB SER 27 2HB SER 27 -5.344 13.437 -4.157 192 2HB SER 27 1HB SER 27 -6.389 14.076 -5.427 193 HG SER 27 HG SER 27 -3.771 14.642 -4.762 194 H LYS 28 H LYS 28 -6.303 14.726 -1.210 195 HA LYS 28 HA LYS 28 -7.639 13.668 0.259 196 1HB LYS 28 2HB LYS 28 -9.748 14.443 -1.669 197 2HB LYS 28 1HB LYS 28 -10.107 13.825 -0.059 198 1HG LYS 28 2HG LYS 28 -8.889 15.797 0.882 199 2HG LYS 28 1HG LYS 28 -8.708 16.412 -0.758 200 1HD LYS 28 2HD LYS 28 -11.322 15.882 0.653 201 2HD LYS 28 1HD LYS 28 -10.592 17.464 0.404 202 1HE LYS 28 2HE LYS 28 -10.764 17.140 -2.028 203 2HE LYS 28 1HE LYS 28 -11.534 15.577 -1.756 204 1HZ LYS 28 1HZ LYS 28 -13.343 16.739 -0.597 205 2HZ LYS 28 2HZ LYS 28 -13.179 17.283 -2.177 206 3HZ LYS 28 3HZ LYS 28 -12.588 18.215 -0.913 207 H THR 29 H THR 29 -6.364 12.273 -1.752 208 HA THR 29 HA THR 29 -8.147 10.177 -2.624 209 HB THR 29 HB THR 29 -5.205 10.396 -2.996 210 HG1 THR 29 1HG THR 29 -6.813 10.992 -5.177 211 1HG2 THR 29 1HG2 THR 29 -7.332 8.907 -4.519 212 2HG2 THR 29 2HG2 THR 29 -6.098 8.209 -3.473 213 3HG2 THR 29 3HG2 THR 29 -5.640 8.986 -4.992 214 H LEU 30 H LEU 30 -7.901 8.177 -1.997 215 HA LEU 30 HA LEU 30 -6.832 7.792 0.606 216 1HB LEU 30 2HB LEU 30 -9.053 6.914 0.078 217 2HB LEU 30 1HB LEU 30 -8.414 5.951 -1.220 218 HG LEU 30 HG LEU 30 -7.799 5.391 1.702 219 1HD1 LEU 30 1HD1 LEU 30 -10.202 5.301 1.311 220 2HD1 LEU 30 2HD1 LEU 30 -9.527 3.690 1.558 221 3HD1 LEU 30 3HD1 LEU 30 -9.940 4.233 -0.070 222 1HD2 LEU 30 1HD2 LEU 30 -7.274 3.155 0.884 223 2HD2 LEU 30 2HD2 LEU 30 -6.273 4.352 0.060 224 3HD2 LEU 30 3HD2 LEU 30 -7.665 3.647 -0.763 225 H VAL 31 H VAL 31 -4.998 6.344 1.055 226 HA VAL 31 HA VAL 31 -3.600 5.377 -1.300 227 HB VAL 31 HB VAL 31 -2.609 7.501 -0.641 228 1HG1 VAL 31 1HG1 VAL 31 -1.491 7.833 1.501 229 2HG1 VAL 31 2HG1 VAL 31 -2.081 6.263 2.032 230 3HG1 VAL 31 3HG1 VAL 31 -3.228 7.566 1.695 231 1HG2 VAL 31 1HG2 VAL 31 -0.271 6.800 -0.332 232 2HG2 VAL 31 2HG2 VAL 31 -1.111 5.835 -1.546 233 3HG2 VAL 31 3HG2 VAL 31 -0.832 5.175 0.065 234 H VAL 32 H VAL 32 -2.711 3.392 -1.130 235 HA VAL 32 HA VAL 32 -2.798 2.066 1.501 236 HB VAL 32 HB VAL 32 -3.191 0.800 -1.177 237 1HG1 VAL 32 1HG1 VAL 32 -2.166 -0.731 0.413 238 2HG1 VAL 32 2HG1 VAL 32 -3.833 -1.231 0.111 239 3HG1 VAL 32 3HG1 VAL 32 -3.425 -0.378 1.599 240 1HG2 VAL 32 1HG2 VAL 32 -5.540 0.412 -0.496 241 2HG2 VAL 32 2HG2 VAL 32 -5.137 2.124 -0.628 242 3HG2 VAL 32 3HG2 VAL 32 -5.241 1.363 0.961 243 H VAL 33 H VAL 33 -0.862 1.511 2.188 244 HA VAL 33 HA VAL 33 1.292 1.287 0.192 245 HB VAL 33 HB VAL 33 1.549 2.025 3.112 246 1HG1 VAL 33 1HG1 VAL 33 3.849 2.610 2.539 247 2HG1 VAL 33 2HG1 VAL 33 3.571 2.064 0.887 248 3HG1 VAL 33 3HG1 VAL 33 3.508 0.911 2.216 249 1HG2 VAL 33 1HG2 VAL 33 2.051 4.304 2.313 250 2HG2 VAL 33 2HG2 VAL 33 0.415 3.803 1.896 251 3HG2 VAL 33 3HG2 VAL 33 1.675 3.802 0.664 252 H ASP 34 H ASP 34 2.309 -0.608 0.044 253 HA ASP 34 HA ASP 34 1.932 -2.622 2.145 254 1HB ASP 34 2HB ASP 34 1.055 -3.402 0.056 255 2HB ASP 34 1HB ASP 34 2.464 -2.830 -0.823 256 H PHE 35 H PHE 35 3.702 -2.714 3.536 257 HA PHE 35 HA PHE 35 6.300 -2.114 2.394 258 1HB PHE 35 2HB PHE 35 5.353 -2.593 5.219 259 2HB PHE 35 1HB PHE 35 7.016 -2.288 4.767 260 HD1 PHE 35 1HD PHE 35 3.676 -0.850 5.221 261 HD2 PHE 35 2HD PHE 35 7.734 -0.035 4.230 262 HE1 PHE 35 1HE PHE 35 3.276 1.550 5.568 263 HE2 PHE 35 2HE PHE 35 7.339 2.365 4.564 264 HZ PHE 35 HZ PHE 35 5.109 3.162 5.239 265 H THR 36 H THR 36 7.459 -3.788 1.726 266 HA THR 36 HA THR 36 7.016 -6.402 2.905 267 HB THR 36 HB THR 36 5.242 -6.038 1.186 268 HG1 THR 36 1HG THR 36 5.376 -7.947 0.597 269 1HG2 THR 36 1HG2 THR 36 5.883 -5.963 -1.178 270 2HG2 THR 36 2HG2 THR 36 7.578 -5.849 -0.710 271 3HG2 THR 36 3HG2 THR 36 6.460 -4.549 -0.298 272 H ALA 37 H ALA 37 8.433 -7.969 1.556 273 HA ALA 37 HA ALA 37 10.803 -6.651 0.467 274 1HB ALA 37 1HB ALA 37 12.203 -8.369 1.530 275 2HB ALA 37 2HB ALA 37 10.779 -9.025 2.332 276 3HB ALA 37 3HB ALA 37 11.347 -7.406 2.733 277 H SER 38 H SER 38 11.451 -7.545 -1.388 278 HA SER 38 HA SER 38 9.676 -9.316 -2.676 279 1HB SER 38 2HB SER 38 12.413 -8.365 -3.541 280 2HB SER 38 1HB SER 38 11.202 -9.116 -4.588 281 HG SER 38 HG SER 38 11.133 -6.625 -3.268 282 H TRP 39 H TRP 39 12.335 -9.873 -0.658 283 HA TRP 39 HA TRP 39 12.860 -12.498 -1.710 284 1HB TRP 39 2HB TRP 39 14.569 -12.658 0.164 285 2HB TRP 39 1HB TRP 39 14.822 -11.394 -1.017 286 HD1 TRP 39 HD TRP 39 15.080 -9.056 -0.149 287 HE1 TRP 39 1HE TRP 39 15.032 -7.912 2.175 288 HE3 TRP 39 3HE TRP 39 13.205 -12.919 2.593 289 HZ2 TRP 39 2HZ TRP 39 14.282 -8.587 4.813 290 HZ3 TRP 39 3HZ TRP 39 12.847 -12.595 5.009 291 HH2 TRP 39 HH TRP 39 13.373 -10.468 6.087 292 H CYS 40 H CYS 40 10.388 -11.461 0.231 293 HA CYS 40 HA CYS 40 10.479 -14.010 1.618 294 1HB CYS 40 2HB CYS 40 8.648 -13.088 3.155 295 2HB CYS 40 1HB CYS 40 10.246 -12.387 3.327 296 H GLY 41 H GLY 41 9.199 -15.613 1.273 297 1HA GLY 41 2HA GLY 41 7.909 -15.925 -1.134 298 2HA GLY 41 1HA GLY 41 7.696 -16.963 0.257 299 HA PRO 42 HA PRO 42 3.478 -15.782 0.904 300 1HB PRO 42 2HB PRO 42 3.370 -14.296 3.239 301 2HB PRO 42 1HB PRO 42 3.389 -16.060 3.168 302 1HG PRO 42 2HG PRO 42 5.649 -14.159 3.646 303 2HG PRO 42 1HG PRO 42 5.302 -15.705 4.442 304 1HD PRO 42 2HD PRO 42 7.185 -15.527 2.572 305 2HD PRO 42 1HD PRO 42 6.115 -16.947 2.649 306 H CYS 43 H CYS 43 5.733 -13.192 1.324 307 HA CYS 43 HA CYS 43 3.948 -10.994 1.014 308 1HB CYS 43 2HB CYS 43 6.862 -11.056 0.283 309 2HB CYS 43 1HB CYS 43 5.917 -9.697 0.868 310 H ARG 44 H ARG 44 6.059 -12.850 -1.105 311 HA ARG 44 HA ARG 44 5.587 -11.244 -3.403 312 1HB ARG 44 2HB ARG 44 7.623 -12.667 -2.872 313 2HB ARG 44 1HB ARG 44 6.644 -14.062 -3.277 314 1HG ARG 44 2HG ARG 44 8.071 -13.423 -5.119 315 2HG ARG 44 1HG ARG 44 6.371 -13.208 -5.552 316 1HD ARG 44 2HD ARG 44 6.516 -10.841 -5.219 317 2HD ARG 44 1HD ARG 44 8.122 -10.986 -4.508 318 HE ARG 44 HE ARG 44 8.212 -12.051 -7.051 319 1HH1 ARG 44 1HH1 ARG 44 7.565 -8.845 -5.609 320 2HH1 ARG 44 2HH1 ARG 44 8.353 -8.013 -6.875 321 1HH2 ARG 44 1HH2 ARG 44 9.271 -10.823 -8.755 322 2HH2 ARG 44 2HH2 ARG 44 9.320 -9.119 -8.657 323 H PHE 45 H PHE 45 4.230 -14.056 -1.942 324 HA PHE 45 HA PHE 45 2.618 -14.978 -4.082 325 1HB PHE 45 2HB PHE 45 3.261 -16.418 -2.221 326 2HB PHE 45 1HB PHE 45 2.396 -15.385 -1.097 327 HD1 PHE 45 1HD PHE 45 2.004 -17.780 -3.878 328 HD2 PHE 45 2HD PHE 45 0.042 -15.673 -0.727 329 HE1 PHE 45 1HE PHE 45 0.011 -19.193 -4.169 330 HE2 PHE 45 2HE PHE 45 -1.943 -17.076 -1.021 331 HZ PHE 45 HZ PHE 45 -1.963 -18.843 -2.742 332 H ILE 46 H ILE 46 2.150 -12.549 -1.574 333 HA ILE 46 HA ILE 46 -0.699 -12.414 -2.115 334 HB ILE 46 HB ILE 46 0.238 -12.133 0.227 335 1HG1 ILE 46 2HG1 ILE 46 -1.193 -10.178 0.858 336 2HG1 ILE 46 1HG1 ILE 46 -1.435 -9.874 -0.863 337 1HG2 ILE 46 1HG2 ILE 46 1.147 -9.973 0.900 338 2HG2 ILE 46 2HG2 ILE 46 1.163 -9.464 -0.790 339 3HG2 ILE 46 3HG2 ILE 46 2.182 -10.803 -0.263 340 1HD1 ILE 46 1HD1 ILE 46 -2.457 -12.067 -1.099 341 2HD1 ILE 46 2HD1 ILE 46 -3.288 -11.103 0.138 342 3HD1 ILE 46 3HD1 ILE 46 -2.140 -12.367 0.608 343 H ALA 47 H ALA 47 2.164 -10.967 -3.216 344 HA ALA 47 HA ALA 47 1.445 -8.402 -3.903 345 1HB ALA 47 1HB ALA 47 3.274 -8.394 -5.484 346 2HB ALA 47 2HB ALA 47 3.319 -10.153 -5.501 347 3HB ALA 47 3HB ALA 47 3.747 -9.274 -4.034 348 HA PRO 48 HA PRO 48 -0.154 -9.973 -8.332 349 1HB PRO 48 2HB PRO 48 -1.321 -12.556 -7.401 350 2HB PRO 48 1HB PRO 48 -0.584 -12.151 -8.956 351 1HG PRO 48 2HG PRO 48 0.764 -13.615 -7.227 352 2HG PRO 48 1HG PRO 48 1.582 -12.320 -8.122 353 1HD PRO 48 2HD PRO 48 0.597 -12.338 -5.298 354 2HD PRO 48 1HD PRO 48 2.125 -11.717 -5.947 355 H PHE 49 H PHE 49 -1.659 -10.854 -5.284 356 HA PHE 49 HA PHE 49 -4.340 -10.337 -6.144 357 1HB PHE 49 2HB PHE 49 -3.813 -11.912 -4.290 358 2HB PHE 49 1HB PHE 49 -3.207 -10.568 -3.335 359 HD1 PHE 49 1HD PHE 49 -4.679 -9.238 -2.049 360 HD2 PHE 49 2HD PHE 49 -6.243 -11.995 -4.888 361 HE1 PHE 49 1HE PHE 49 -6.937 -8.895 -1.134 362 HE2 PHE 49 2HE PHE 49 -8.504 -11.654 -3.980 363 HZ PHE 49 HZ PHE 49 -8.852 -10.106 -2.101 364 H PHE 50 H PHE 50 -1.890 -8.589 -4.318 365 HA PHE 50 HA PHE 50 -3.432 -6.225 -3.839 366 1HB PHE 50 2HB PHE 50 -1.362 -6.868 -2.574 367 2HB PHE 50 1HB PHE 50 -0.422 -6.590 -4.029 368 HD1 PHE 50 1HD PHE 50 0.471 -4.471 -4.447 369 HD2 PHE 50 2HD PHE 50 -2.655 -4.902 -1.595 370 HE1 PHE 50 1HE PHE 50 0.786 -2.132 -3.746 371 HE2 PHE 50 2HE PHE 50 -2.347 -2.575 -0.898 372 HZ PHE 50 HZ PHE 50 -0.621 -1.182 -1.971 373 H ALA 51 H ALA 51 -1.413 -7.313 -6.465 374 HA ALA 51 HA ALA 51 -1.395 -4.917 -7.955 375 1HB ALA 51 1HB ALA 51 -1.227 -7.757 -8.973 376 2HB ALA 51 2HB ALA 51 0.134 -6.794 -8.409 377 3HB ALA 51 3HB ALA 51 -0.750 -6.307 -9.857 378 H ASP 52 H ASP 52 -3.750 -7.458 -7.592 379 HA ASP 52 HA ASP 52 -5.403 -6.739 -9.831 380 1HB ASP 52 2HB ASP 52 -5.443 -8.967 -8.647 381 2HB ASP 52 1HB ASP 52 -6.205 -8.160 -7.305 382 H LEU 53 H LEU 53 -5.432 -6.221 -6.380 383 HA LEU 53 HA LEU 53 -7.644 -4.614 -6.087 384 1HB LEU 53 2HB LEU 53 -4.982 -4.609 -4.706 385 2HB LEU 53 1HB LEU 53 -6.349 -3.791 -4.062 386 HG LEU 53 HG LEU 53 -5.941 -6.733 -4.354 387 1HD1 LEU 53 1HD1 LEU 53 -4.789 -5.694 -2.467 388 2HD1 LEU 53 2HD1 LEU 53 -6.103 -6.724 -1.910 389 3HD1 LEU 53 3HD1 LEU 53 -6.309 -4.977 -1.932 390 1HD2 LEU 53 1HD2 LEU 53 -8.124 -7.016 -3.253 391 2HD2 LEU 53 2HD2 LEU 53 -8.268 -6.280 -4.842 392 3HD2 LEU 53 3HD2 LEU 53 -8.406 -5.279 -3.392 393 H ALA 54 H ALA 54 -4.312 -3.725 -6.757 394 HA ALA 54 HA ALA 54 -4.652 -0.962 -6.957 395 1HB ALA 54 1HB ALA 54 -2.456 -2.045 -6.773 396 2HB ALA 54 2HB ALA 54 -2.528 -0.967 -8.167 397 3HB ALA 54 3HB ALA 54 -2.651 -2.709 -8.394 398 H LYS 55 H LYS 55 -5.277 -3.518 -9.212 399 HA LYS 55 HA LYS 55 -5.463 -1.768 -11.466 400 1HB LYS 55 2HB LYS 55 -4.781 -4.140 -11.677 401 2HB LYS 55 1HB LYS 55 -6.411 -4.613 -11.219 402 1HG LYS 55 2HG LYS 55 -7.289 -3.410 -13.163 403 2HG LYS 55 1HG LYS 55 -5.639 -3.016 -13.638 404 1HD LYS 55 2HD LYS 55 -5.144 -5.410 -13.807 405 2HD LYS 55 1HD LYS 55 -6.820 -5.774 -13.393 406 1HE LYS 55 2HE LYS 55 -5.863 -4.212 -15.775 407 2HE LYS 55 1HE LYS 55 -6.504 -5.851 -15.803 408 1HZ LYS 55 1HZ LYS 55 -7.987 -3.357 -15.104 409 2HZ LYS 55 2HZ LYS 55 -8.636 -4.901 -14.955 410 3HZ LYS 55 3HZ LYS 55 -8.201 -4.320 -16.468 411 H LYS 56 H LYS 56 -7.715 -3.149 -9.171 412 HA LYS 56 HA LYS 56 -9.963 -2.397 -10.782 413 1HB LYS 56 2HB LYS 56 -10.071 -4.285 -9.173 414 2HB LYS 56 1HB LYS 56 -9.944 -3.126 -7.854 415 1HG LYS 56 2HG LYS 56 -12.037 -2.089 -8.555 416 2HG LYS 56 1HG LYS 56 -12.165 -3.240 -9.881 417 1HD LYS 56 2HD LYS 56 -12.222 -5.074 -8.232 418 2HD LYS 56 1HD LYS 56 -12.181 -3.875 -6.937 419 1HE LYS 56 2HE LYS 56 -14.316 -4.135 -9.050 420 2HE LYS 56 1HE LYS 56 -14.464 -4.649 -7.371 421 1HZ LYS 56 1HZ LYS 56 -14.196 -2.317 -6.701 422 2HZ LYS 56 2HZ LYS 56 -15.517 -2.520 -7.706 423 3HZ LYS 56 3HZ LYS 56 -14.112 -1.841 -8.320 424 H LEU 57 H LEU 57 -8.085 -0.846 -8.258 425 HA LEU 57 HA LEU 57 -9.887 1.401 -8.453 426 1HB LEU 57 2HB LEU 57 -8.045 0.535 -6.268 427 2HB LEU 57 1HB LEU 57 -8.817 2.107 -6.310 428 HG LEU 57 HG LEU 57 -10.314 -0.472 -6.392 429 1HD1 LEU 57 1HD1 LEU 57 -10.834 -0.035 -3.982 430 2HD1 LEU 57 2HD1 LEU 57 -9.756 1.357 -4.016 431 3HD1 LEU 57 3HD1 LEU 57 -9.107 -0.271 -4.228 432 1HD2 LEU 57 1HD2 LEU 57 -11.198 2.359 -5.856 433 2HD2 LEU 57 2HD2 LEU 57 -12.224 0.933 -5.718 434 3HD2 LEU 57 3HD2 LEU 57 -11.560 1.383 -7.283 435 HA PRO 58 HA PRO 58 -6.223 2.763 -10.818 436 1HB PRO 58 2HB PRO 58 -7.579 4.449 -12.403 437 2HB PRO 58 1HB PRO 58 -7.592 2.702 -12.672 438 1HG PRO 58 2HG PRO 58 -9.625 4.411 -11.282 439 2HG PRO 58 1HG PRO 58 -9.890 3.154 -12.504 440 1HD PRO 58 2HD PRO 58 -10.223 2.620 -9.865 441 2HD PRO 58 1HD PRO 58 -9.552 1.437 -10.994 442 H ASN 59 H ASN 59 -8.674 4.727 -9.184 443 HA ASN 59 HA ASN 59 -7.092 7.118 -9.353 444 1HB ASN 59 2HB ASN 59 -8.959 8.135 -8.211 445 2HB ASN 59 1HB ASN 59 -9.531 7.220 -9.600 446 1HD2 ASN 59 1HD2 ASN 59 -9.537 7.534 -6.165 447 2HD2 ASN 59 2HD2 ASN 59 -10.713 6.317 -5.847 448 H VAL 60 H VAL 60 -7.071 4.432 -7.437 449 HA VAL 60 HA VAL 60 -6.379 5.908 -5.019 450 HB VAL 60 HB VAL 60 -6.922 2.940 -5.409 451 1HG1 VAL 60 1HG1 VAL 60 -6.879 2.777 -2.964 452 2HG1 VAL 60 2HG1 VAL 60 -6.418 4.475 -2.856 453 3HG1 VAL 60 3HG1 VAL 60 -5.320 3.310 -3.595 454 1HG2 VAL 60 1HG2 VAL 60 -8.937 4.294 -5.610 455 2HG2 VAL 60 2HG2 VAL 60 -8.574 5.084 -4.077 456 3HG2 VAL 60 3HG2 VAL 60 -8.964 3.366 -4.111 457 H LEU 61 H LEU 61 -4.311 5.934 -4.246 458 HA LEU 61 HA LEU 61 -2.330 4.890 -6.014 459 1HB LEU 61 2HB LEU 61 -2.266 6.781 -3.686 460 2HB LEU 61 1HB LEU 61 -0.817 6.145 -4.408 461 HG LEU 61 HG LEU 61 -1.482 7.261 -6.564 462 1HD1 LEU 61 1HD1 LEU 61 -3.874 7.421 -6.225 463 2HD1 LEU 61 2HD1 LEU 61 -3.174 9.016 -6.518 464 3HD1 LEU 61 3HD1 LEU 61 -3.616 8.532 -4.880 465 1HD2 LEU 61 1HD2 LEU 61 -1.195 9.063 -4.166 466 2HD2 LEU 61 2HD2 LEU 61 -0.902 9.526 -5.841 467 3HD2 LEU 61 3HD2 LEU 61 0.118 8.310 -5.074 468 H PHE 62 H PHE 62 -1.626 2.951 -5.673 469 HA PHE 62 HA PHE 62 -1.410 1.959 -2.934 470 1HB PHE 62 2HB PHE 62 -1.192 0.476 -5.547 471 2HB PHE 62 1HB PHE 62 -1.105 -0.241 -3.964 472 HD1 PHE 62 1HD PHE 62 -3.031 -0.849 -2.743 473 HD2 PHE 62 2HD PHE 62 -3.439 1.473 -6.283 474 HE1 PHE 62 1HE PHE 62 -5.460 -1.201 -2.688 475 HE2 PHE 62 2HE PHE 62 -5.870 1.125 -6.234 476 HZ PHE 62 HZ PHE 62 -6.885 -0.214 -4.431 477 H LEU 63 H LEU 63 0.542 1.416 -2.216 478 HA LEU 63 HA LEU 63 2.804 2.075 -3.950 479 1HB LEU 63 2HB LEU 63 2.413 2.834 -1.079 480 2HB LEU 63 1HB LEU 63 4.006 2.744 -1.783 481 HG LEU 63 HG LEU 63 3.312 4.481 -3.430 482 1HD1 LEU 63 1HD1 LEU 63 0.918 4.207 -3.388 483 2HD1 LEU 63 2HD1 LEU 63 1.356 5.864 -2.970 484 3HD1 LEU 63 3HD1 LEU 63 0.870 4.731 -1.706 485 1HD2 LEU 63 1HD2 LEU 63 4.598 5.083 -1.481 486 2HD2 LEU 63 2HD2 LEU 63 3.127 5.252 -0.526 487 3HD2 LEU 63 3HD2 LEU 63 3.445 6.362 -1.863 488 H LYS 64 H LYS 64 4.463 0.801 -4.015 489 HA LYS 64 HA LYS 64 4.421 -1.700 -2.415 490 1HB LYS 64 2HB LYS 64 4.343 -1.617 -5.058 491 2HB LYS 64 1HB LYS 64 5.997 -1.101 -4.914 492 1HG LYS 64 2HG LYS 64 4.962 -3.714 -3.822 493 2HG LYS 64 1HG LYS 64 5.695 -3.522 -5.402 494 1HD LYS 64 2HD LYS 64 7.792 -2.813 -4.324 495 2HD LYS 64 1HD LYS 64 7.034 -3.007 -2.738 496 1HE LYS 64 2HE LYS 64 6.639 -5.305 -3.150 497 2HE LYS 64 1HE LYS 64 7.308 -5.207 -4.781 498 1HZ LYS 64 1HZ LYS 64 8.960 -6.154 -3.300 499 2HZ LYS 64 2HZ LYS 64 8.831 -4.887 -2.211 500 3HZ LYS 64 3HZ LYS 64 9.480 -4.630 -3.739 501 H VAL 65 H VAL 65 5.744 -1.412 -0.726 502 HA VAL 65 HA VAL 65 8.144 0.161 -1.244 503 HB VAL 65 HB VAL 65 6.695 -0.269 1.389 504 1HG1 VAL 65 1HG1 VAL 65 9.193 1.295 0.772 505 2HG1 VAL 65 2HG1 VAL 65 9.117 -0.198 1.709 506 3HG1 VAL 65 3HG1 VAL 65 8.369 1.276 2.331 507 1HG2 VAL 65 1HG2 VAL 65 7.091 2.217 -0.276 508 2HG2 VAL 65 2HG2 VAL 65 6.315 2.156 1.307 509 3HG2 VAL 65 3HG2 VAL 65 5.578 1.338 -0.071 510 H ASP 66 H ASP 66 9.816 -1.032 -1.443 511 HA ASP 66 HA ASP 66 9.829 -3.652 -0.189 512 1HB ASP 66 2HB ASP 66 10.500 -3.310 -2.616 513 2HB ASP 66 1HB ASP 66 11.893 -2.450 -1.954 514 H THR 67 H THR 67 11.074 -4.036 1.532 515 HA THR 67 HA THR 67 11.949 -1.733 2.892 516 HB THR 67 HB THR 67 12.561 -3.356 4.714 517 HG1 THR 67 1HG THR 67 11.300 -5.486 3.902 518 1HG2 THR 67 1HG2 THR 67 9.793 -3.631 3.520 519 2HG2 THR 67 2HG2 THR 67 10.324 -2.327 4.580 520 3HG2 THR 67 3HG2 THR 67 10.231 -3.977 5.193 521 H ASP 68 H ASP 68 13.636 -3.845 0.785 522 HA ASP 68 HA ASP 68 16.154 -3.135 1.992 523 1HB ASP 68 2HB ASP 68 15.938 -5.229 0.689 524 2HB ASP 68 1HB ASP 68 15.655 -4.267 -0.753 525 H GLU 69 H GLU 69 14.203 -2.242 -0.675 526 HA GLU 69 HA GLU 69 15.850 -0.337 -1.856 527 1HB GLU 69 2HB GLU 69 12.909 -0.761 -1.828 528 2HB GLU 69 1HB GLU 69 13.708 0.413 -2.830 529 1HG GLU 69 2HG GLU 69 14.143 -2.578 -2.913 530 2HG GLU 69 1HG GLU 69 13.219 -1.645 -4.088 531 H LEU 70 H LEU 70 12.949 0.110 0.223 532 HA LEU 70 HA LEU 70 13.978 2.762 0.769 533 1HB LEU 70 2HB LEU 70 11.800 2.649 -0.413 534 2HB LEU 70 1HB LEU 70 11.165 1.700 0.919 535 HG LEU 70 HG LEU 70 11.491 3.517 2.397 536 1HD1 LEU 70 1HD1 LEU 70 13.358 4.663 1.334 537 2HD1 LEU 70 2HD1 LEU 70 12.021 5.801 1.481 538 3HD1 LEU 70 3HD1 LEU 70 12.364 5.039 -0.070 539 1HD2 LEU 70 1HD2 LEU 70 9.888 4.228 -0.054 540 2HD2 LEU 70 2HD2 LEU 70 9.720 5.024 1.510 541 3HD2 LEU 70 3HD2 LEU 70 9.329 3.311 1.347 542 H LYS 71 H LYS 71 15.329 1.543 2.122 543 HA LYS 71 HA LYS 71 14.422 -0.117 4.210 544 1HB LYS 71 2HB LYS 71 16.604 -0.210 3.001 545 2HB LYS 71 1HB LYS 71 17.112 1.199 3.920 546 1HG LYS 71 2HG LYS 71 16.818 -0.090 6.003 547 2HG LYS 71 1HG LYS 71 16.339 -1.471 5.002 548 1HD LYS 71 2HD LYS 71 19.033 -0.099 4.875 549 2HD LYS 71 1HD LYS 71 18.707 -1.618 5.708 550 1HE LYS 71 2HE LYS 71 18.383 -1.131 2.733 551 2HE LYS 71 1HE LYS 71 19.725 -1.970 3.494 552 1HZ LYS 71 1HZ LYS 71 16.885 -2.879 3.569 553 2HZ LYS 71 2HZ LYS 71 18.189 -3.667 4.259 554 3HZ LYS 71 3HZ LYS 71 18.109 -3.512 2.581 555 H SER 72 H SER 72 15.506 3.239 4.077 556 HA SER 72 HA SER 72 15.640 3.674 6.840 557 1HB SER 72 2HB SER 72 15.128 5.660 4.661 558 2HB SER 72 1HB SER 72 15.758 6.014 6.275 559 HG SER 72 HG SER 72 17.024 5.207 4.073 560 H VAL 73 H VAL 73 12.970 4.268 4.561 561 HA VAL 73 HA VAL 73 11.310 5.438 6.554 562 HB VAL 73 HB VAL 73 10.529 4.244 3.865 563 1HG1 VAL 73 1HG1 VAL 73 8.910 6.011 5.688 564 2HG1 VAL 73 2HG1 VAL 73 8.605 4.307 5.363 565 3HG1 VAL 73 3HG1 VAL 73 8.449 5.494 4.066 566 1HG2 VAL 73 1HG2 VAL 73 12.051 6.134 3.695 567 2HG2 VAL 73 2HG2 VAL 73 10.986 7.095 4.719 568 3HG2 VAL 73 3HG2 VAL 73 10.440 6.571 3.126 569 H ALA 74 H ALA 74 11.697 2.175 5.325 570 HA ALA 74 HA ALA 74 9.564 0.982 6.715 571 1HB ALA 74 1HB ALA 74 10.776 -1.120 6.391 572 2HB ALA 74 2HB ALA 74 12.225 -0.218 5.950 573 3HB ALA 74 3HB ALA 74 10.793 -0.144 4.922 574 H SER 75 H SER 75 12.850 1.799 7.647 575 HA SER 75 HA SER 75 12.700 0.540 10.191 576 1HB SER 75 2HB SER 75 14.844 0.910 9.018 577 2HB SER 75 1HB SER 75 14.605 2.650 9.141 578 HG SER 75 HG SER 75 15.895 2.099 10.783 579 H ASP 76 H ASP 76 12.108 3.797 8.935 580 HA ASP 76 HA ASP 76 11.895 5.139 11.415 581 1HB ASP 76 2HB ASP 76 12.232 6.380 9.348 582 2HB ASP 76 1HB ASP 76 10.677 5.835 8.735 583 H TRP 77 H TRP 77 9.513 3.478 9.432 584 HA TRP 77 HA TRP 77 7.424 4.184 11.263 585 1HB TRP 77 2HB TRP 77 7.430 2.662 8.702 586 2HB TRP 77 1HB TRP 77 5.972 2.823 9.681 587 HD1 TRP 77 HD TRP 77 8.539 5.120 7.884 588 HE1 TRP 77 1HE TRP 77 7.303 7.202 7.041 589 HE3 TRP 77 3HE TRP 77 3.908 4.131 9.785 590 HZ2 TRP 77 2HZ TRP 77 4.702 8.285 7.148 591 HZ3 TRP 77 3HZ TRP 77 2.095 5.745 9.363 592 HH2 TRP 77 HH TRP 77 2.493 7.775 8.070 593 H ALA 78 H ALA 78 9.763 2.024 11.319 594 HA ALA 78 HA ALA 78 10.213 0.044 12.220 595 1HB ALA 78 1HB ALA 78 7.939 0.688 14.099 596 2HB ALA 78 2HB ALA 78 9.584 1.303 14.247 597 3HB ALA 78 3HB ALA 78 9.271 -0.428 14.401 598 H ILE 79 H ILE 79 9.547 -0.940 10.269 599 HA ILE 79 HA ILE 79 7.065 -2.464 10.401 600 HB ILE 79 HB ILE 79 9.194 -2.351 8.240 601 1HG1 ILE 79 2HG1 ILE 79 8.107 -0.172 8.457 602 2HG1 ILE 79 1HG1 ILE 79 7.608 -0.945 6.962 603 1HG2 ILE 79 1HG2 ILE 79 7.979 -4.432 8.146 604 2HG2 ILE 79 2HG2 ILE 79 7.530 -3.412 6.780 605 3HG2 ILE 79 3HG2 ILE 79 6.441 -3.573 8.157 606 1HD1 ILE 79 1HD1 ILE 79 5.463 -1.532 7.991 607 2HD1 ILE 79 2HD1 ILE 79 5.736 0.190 8.035 608 3HD1 ILE 79 3HD1 ILE 79 5.969 -0.776 9.499 609 H GLN 80 H GLN 80 7.306 -4.096 11.848 610 HA GLN 80 HA GLN 80 9.801 -5.503 11.892 611 1HB GLN 80 2HB GLN 80 9.071 -6.570 13.889 612 2HB GLN 80 1HB GLN 80 8.762 -4.858 14.033 613 1HG GLN 80 2HG GLN 80 6.695 -6.993 13.461 614 2HG GLN 80 1HG GLN 80 6.984 -6.245 15.026 615 1HE2 GLN 80 1HE2 GLN 80 4.570 -6.380 13.454 616 2HE2 GLN 80 2HE2 GLN 80 4.092 -4.748 13.162 617 H ALA 81 H ALA 81 6.565 -5.982 10.662 618 HA ALA 81 HA ALA 81 7.437 -8.650 9.874 619 1HB ALA 81 1HB ALA 81 5.208 -9.525 10.224 620 2HB ALA 81 2HB ALA 81 4.661 -7.951 10.808 621 3HB ALA 81 3HB ALA 81 5.855 -8.867 11.726 622 H MET 82 H MET 82 7.257 -9.084 7.829 623 HA MET 82 HA MET 82 5.777 -7.223 6.114 624 1HB MET 82 2HB MET 82 8.197 -8.924 5.551 625 2HB MET 82 1HB MET 82 7.411 -7.872 4.386 626 1HG MET 82 2HG MET 82 8.006 -5.922 5.719 627 2HG MET 82 1HG MET 82 8.719 -6.980 6.939 628 1HE MET 82 1HE MET 82 10.863 -8.431 6.583 629 2HE MET 82 2HE MET 82 11.783 -8.472 5.083 630 3HE MET 82 3HE MET 82 10.179 -9.189 5.142 631 HA PRO 83 HA PRO 83 5.079 -7.160 4.157 632 1HB PRO 83 2HB PRO 83 2.861 -7.338 2.727 633 2HB PRO 83 1HB PRO 83 4.316 -8.212 2.228 634 1HG PRO 83 2HG PRO 83 1.898 -9.236 3.649 635 2HG PRO 83 1HG PRO 83 2.798 -9.975 2.315 636 1HD PRO 83 2HD PRO 83 3.124 -10.627 4.987 637 2HD PRO 83 1HD PRO 83 4.339 -10.906 3.725 638 H THR 84 H THR 84 3.814 -5.333 4.623 639 HA THR 84 HA THR 84 1.517 -5.831 6.313 640 HB THR 84 HB THR 84 3.442 -5.348 7.727 641 HG1 THR 84 1HG THR 84 1.566 -4.686 8.594 642 1HG2 THR 84 1HG2 THR 84 3.534 -2.695 6.345 643 2HG2 THR 84 2HG2 THR 84 4.782 -3.968 6.400 644 3HG2 THR 84 3HG2 THR 84 4.347 -3.083 7.863 645 H PHE 85 H PHE 85 -0.209 -4.722 5.715 646 HA PHE 85 HA PHE 85 0.124 -2.849 3.531 647 1HB PHE 85 2HB PHE 85 -2.247 -4.452 4.491 648 2HB PHE 85 1HB PHE 85 -2.203 -3.385 3.105 649 HD1 PHE 85 1HD PHE 85 -1.141 -6.618 4.452 650 HD2 PHE 85 2HD PHE 85 -1.155 -4.078 1.040 651 HE1 PHE 85 1HE PHE 85 -0.459 -8.514 3.039 652 HE2 PHE 85 2HE PHE 85 -0.470 -5.967 -0.372 653 HZ PHE 85 HZ PHE 85 -0.122 -8.183 0.624 654 H MET 86 H MET 86 -0.153 -0.836 4.105 655 HA MET 86 HA MET 86 -1.766 -0.227 6.483 656 1HB MET 86 2HB MET 86 0.533 0.457 6.694 657 2HB MET 86 1HB MET 86 0.485 1.308 5.169 658 1HG MET 86 2HG MET 86 -1.187 2.856 6.154 659 2HG MET 86 1HG MET 86 -1.006 2.058 7.705 660 1HE MET 86 1HE MET 86 2.183 1.412 7.615 661 2HE MET 86 2HE MET 86 1.371 2.015 9.063 662 3HE MET 86 3HE MET 86 2.815 2.822 8.458 663 H PHE 87 H PHE 87 -3.641 0.627 6.129 664 HA PHE 87 HA PHE 87 -4.248 1.659 3.518 665 1HB PHE 87 2HB PHE 87 -5.869 0.565 5.787 666 2HB PHE 87 1HB PHE 87 -6.546 1.282 4.345 667 HD1 PHE 87 1HD PHE 87 -4.673 -1.587 5.701 668 HD2 PHE 87 2HD PHE 87 -6.648 0.029 2.296 669 HE1 PHE 87 1HE PHE 87 -4.614 -3.793 4.625 670 HE2 PHE 87 2HE PHE 87 -6.591 -2.183 1.214 671 HZ PHE 87 HZ PHE 87 -5.574 -4.094 2.378 672 H LEU 88 H LEU 88 -4.271 3.797 3.452 673 HA LEU 88 HA LEU 88 -4.996 5.161 5.900 674 1HB LEU 88 2HB LEU 88 -3.322 6.237 3.612 675 2HB LEU 88 1HB LEU 88 -3.611 7.028 5.138 676 HG LEU 88 HG LEU 88 -1.963 4.525 4.747 677 1HD1 LEU 88 1HD1 LEU 88 -1.136 7.366 5.329 678 2HD1 LEU 88 2HD1 LEU 88 -0.875 6.494 3.819 679 3HD1 LEU 88 3HD1 LEU 88 -0.064 5.969 5.292 680 1HD2 LEU 88 1HD2 LEU 88 -2.397 6.242 7.158 681 2HD2 LEU 88 2HD2 LEU 88 -1.294 4.869 7.050 682 3HD2 LEU 88 3HD2 LEU 88 -3.040 4.610 6.929 683 H LYS 89 H LYS 89 -6.309 7.151 5.350 684 HA LYS 89 HA LYS 89 -7.244 7.227 2.594 685 1HB LYS 89 2HB LYS 89 -9.011 6.097 3.809 686 2HB LYS 89 1HB LYS 89 -9.021 7.389 5.008 687 1HG LYS 89 2HG LYS 89 -9.840 8.954 3.438 688 2HG LYS 89 1HG LYS 89 -9.672 7.810 2.098 689 1HD LYS 89 2HD LYS 89 -11.400 6.411 3.158 690 2HD LYS 89 1HD LYS 89 -11.542 7.600 4.461 691 1HE LYS 89 2HE LYS 89 -12.252 9.294 2.897 692 2HE LYS 89 1HE LYS 89 -11.984 8.206 1.542 693 1HZ LYS 89 1HZ LYS 89 -13.720 6.789 2.402 694 2HZ LYS 89 2HZ LYS 89 -14.292 8.333 2.066 695 3HZ LYS 89 3HZ LYS 89 -14.017 7.859 3.680 696 H GLU 90 H GLU 90 -6.948 9.056 1.725 697 HA GLU 90 HA GLU 90 -6.681 11.081 1.331 698 1HB GLU 90 2HB GLU 90 -8.044 11.561 3.953 699 2HB GLU 90 1HB GLU 90 -7.745 12.854 2.799 700 1HG GLU 90 2HG GLU 90 -9.197 11.799 1.194 701 2HG GLU 90 1HG GLU 90 -9.412 10.400 2.230 702 H GLY 91 H GLY 91 -4.843 9.530 3.089 703 1HA GLY 91 2HA GLY 91 -2.632 9.980 3.780 704 2HA GLY 91 1HA GLY 91 -3.072 11.669 3.981 705 H LYS 92 H LYS 92 -5.522 10.020 5.454 706 HA LYS 92 HA LYS 92 -4.255 10.269 8.079 707 1HB LYS 92 2HB LYS 92 -7.139 10.071 7.194 708 2HB LYS 92 1HB LYS 92 -6.680 9.810 8.853 709 1HG LYS 92 2HG LYS 92 -7.619 12.021 8.587 710 2HG LYS 92 1HG LYS 92 -5.929 12.158 8.996 711 1HD LYS 92 2HD LYS 92 -6.813 12.335 6.124 712 2HD LYS 92 1HD LYS 92 -7.003 13.718 7.193 713 1HE LYS 92 2HE LYS 92 -4.581 13.640 7.660 714 2HE LYS 92 1HE LYS 92 -4.426 12.294 6.533 715 1HZ LYS 92 1HZ LYS 92 -5.402 15.011 5.821 716 2HZ LYS 92 2HZ LYS 92 -5.172 13.749 4.735 717 3HZ LYS 92 3HZ LYS 92 -3.853 14.446 5.511 718 H ILE 93 H ILE 93 -4.022 8.498 9.423 719 HA ILE 93 HA ILE 93 -3.962 5.916 8.207 720 HB ILE 93 HB ILE 93 -3.610 6.698 11.125 721 1HG1 ILE 93 2HG1 ILE 93 -1.524 5.993 9.055 722 2HG1 ILE 93 1HG1 ILE 93 -1.881 7.641 9.533 723 1HG2 ILE 93 1HG2 ILE 93 -2.566 4.486 11.419 724 2HG2 ILE 93 2HG2 ILE 93 -2.970 4.082 9.751 725 3HG2 ILE 93 3HG2 ILE 93 -4.255 4.352 10.927 726 1HD1 ILE 93 1HD1 ILE 93 -1.140 7.071 11.830 727 2HD1 ILE 93 2HD1 ILE 93 0.122 6.827 10.623 728 3HD1 ILE 93 3HD1 ILE 93 -0.759 5.443 11.270 729 H LEU 94 H LEU 94 -5.609 4.556 7.932 730 HA LEU 94 HA LEU 94 -7.855 4.831 9.739 731 1HB LEU 94 2HB LEU 94 -7.605 3.498 7.076 732 2HB LEU 94 1HB LEU 94 -9.002 3.327 8.084 733 HG LEU 94 HG LEU 94 -8.025 5.791 6.666 734 1HD1 LEU 94 1HD1 LEU 94 -10.248 5.661 5.635 735 2HD1 LEU 94 2HD1 LEU 94 -10.567 4.182 6.541 736 3HD1 LEU 94 3HD1 LEU 94 -9.277 4.222 5.337 737 1HD2 LEU 94 1HD2 LEU 94 -8.765 6.479 8.896 738 2HD2 LEU 94 2HD2 LEU 94 -10.259 5.571 8.688 739 3HD2 LEU 94 3HD2 LEU 94 -9.936 6.978 7.673 740 H ASP 95 H ASP 95 -5.895 2.262 8.128 741 HA ASP 95 HA ASP 95 -5.963 0.724 10.460 742 1HB ASP 95 2HB ASP 95 -7.103 -1.182 9.262 743 2HB ASP 95 1HB ASP 95 -8.155 0.029 10.008 744 H LYS 96 H LYS 96 -4.902 -1.328 10.158 745 HA LYS 96 HA LYS 96 -3.193 -1.373 7.814 746 1HB LYS 96 2HB LYS 96 -2.170 0.127 9.537 747 2HB LYS 96 1HB LYS 96 -2.131 -1.256 10.622 748 1HG LYS 96 2HG LYS 96 -0.682 -2.429 9.002 749 2HG LYS 96 1HG LYS 96 -0.766 -0.955 8.018 750 1HD LYS 96 2HD LYS 96 1.335 -1.029 9.331 751 2HD LYS 96 1HD LYS 96 0.309 0.340 9.759 752 1HE LYS 96 2HE LYS 96 -0.502 -0.871 11.721 753 2HE LYS 96 1HE LYS 96 0.490 -2.259 11.278 754 1HZ LYS 96 1HZ LYS 96 2.455 -0.877 11.591 755 2HZ LYS 96 2HZ LYS 96 1.525 -0.918 12.984 756 3HZ LYS 96 3HZ LYS 96 1.487 0.438 11.998 757 H VAL 97 H VAL 97 -2.473 -3.410 7.367 758 HA VAL 97 HA VAL 97 -3.297 -5.580 9.181 759 HB VAL 97 HB VAL 97 -2.981 -5.662 6.158 760 1HG1 VAL 97 1HG1 VAL 97 -2.461 -7.812 7.185 761 2HG1 VAL 97 2HG1 VAL 97 -3.971 -7.893 6.283 762 3HG1 VAL 97 3HG1 VAL 97 -4.004 -7.787 8.042 763 1HG2 VAL 97 1HG2 VAL 97 -4.948 -4.385 6.803 764 2HG2 VAL 97 2HG2 VAL 97 -5.492 -5.709 7.831 765 3HG2 VAL 97 3HG2 VAL 97 -5.421 -5.922 6.082 766 H VAL 98 H VAL 98 -1.613 -6.574 10.068 767 HA VAL 98 HA VAL 98 1.012 -6.401 8.796 768 HB VAL 98 HB VAL 98 0.272 -7.147 11.585 769 1HG1 VAL 98 1HG1 VAL 98 2.974 -6.598 10.352 770 2HG1 VAL 98 2HG1 VAL 98 2.380 -8.163 10.908 771 3HG1 VAL 98 3HG1 VAL 98 2.696 -6.874 12.072 772 1HG2 VAL 98 1HG2 VAL 98 -0.206 -4.813 11.184 773 2HG2 VAL 98 2HG2 VAL 98 1.423 -4.563 10.552 774 3HG2 VAL 98 3HG2 VAL 98 1.189 -4.961 12.254 775 H GLY 99 H GLY 99 1.631 -8.122 7.667 776 1HA GLY 99 2HA GLY 99 2.293 -10.357 7.569 777 2HA GLY 99 1HA GLY 99 1.004 -10.773 8.701 778 H ALA 100 H ALA 100 1.639 -11.796 5.939 779 HA ALA 100 HA ALA 100 -0.572 -10.837 4.374 780 1HB ALA 100 1HB ALA 100 1.152 -13.293 3.987 781 2HB ALA 100 2HB ALA 100 1.454 -11.709 3.271 782 3HB ALA 100 3HB ALA 100 0.021 -12.625 2.813 783 H LYS 101 H LYS 101 -2.480 -11.206 5.118 784 HA LYS 101 HA LYS 101 -3.164 -13.889 5.953 785 1HB LYS 101 2HB LYS 101 -4.221 -11.239 6.895 786 2HB LYS 101 1HB LYS 101 -4.843 -12.811 7.381 787 1HG LYS 101 2HG LYS 101 -2.674 -13.371 8.352 788 2HG LYS 101 1HG LYS 101 -2.055 -11.781 7.883 789 1HD LYS 101 2HD LYS 101 -2.582 -11.858 10.130 790 2HD LYS 101 1HD LYS 101 -3.759 -10.826 9.287 791 1HE LYS 101 2HE LYS 101 -4.881 -12.231 10.965 792 2HE LYS 101 1HE LYS 101 -5.394 -12.689 9.349 793 1HZ LYS 101 1HZ LYS 101 -3.336 -14.088 10.976 794 2HZ LYS 101 2HZ LYS 101 -3.839 -14.570 9.444 795 3HZ LYS 101 3HZ LYS 101 -4.911 -14.623 10.736 796 H LYS 102 H LYS 102 -4.454 -14.699 4.276 797 HA LYS 102 HA LYS 102 -5.279 -12.946 2.279 798 1HB LYS 102 2HB LYS 102 -4.549 -15.245 1.839 799 2HB LYS 102 1HB LYS 102 -5.973 -15.833 2.691 800 1HG LYS 102 2HG LYS 102 -7.414 -14.868 1.065 801 2HG LYS 102 1HG LYS 102 -6.039 -14.121 0.245 802 1HD LYS 102 2HD LYS 102 -6.751 -16.117 -0.984 803 2HD LYS 102 1HD LYS 102 -5.158 -16.378 -0.279 804 1HE LYS 102 2HE LYS 102 -6.183 -17.636 1.557 805 2HE LYS 102 1HE LYS 102 -7.777 -17.345 0.857 806 1HZ LYS 102 1HZ LYS 102 -6.970 -19.527 0.301 807 2HZ LYS 102 2HZ LYS 102 -5.586 -18.892 -0.430 808 3HZ LYS 102 3HZ LYS 102 -7.106 -18.585 -1.081 809 H ASP 103 H ASP 103 -7.036 -14.692 4.803 810 HA ASP 103 HA ASP 103 -9.587 -13.802 3.867 811 1HB ASP 103 2HB ASP 103 -9.345 -15.872 5.225 812 2HB ASP 103 1HB ASP 103 -8.922 -14.875 6.611 813 H GLU 104 H GLU 104 -7.527 -12.793 6.577 814 HA GLU 104 HA GLU 104 -9.322 -10.801 7.455 815 1HB GLU 104 2HB GLU 104 -7.543 -11.724 8.929 816 2HB GLU 104 1HB GLU 104 -6.332 -10.904 7.954 817 1HG GLU 104 2HG GLU 104 -7.276 -8.738 8.579 818 2HG GLU 104 1HG GLU 104 -8.519 -9.549 9.525 819 H LEU 105 H LEU 105 -6.833 -10.753 4.984 820 HA LEU 105 HA LEU 105 -6.686 -7.958 4.663 821 1HB LEU 105 2HB LEU 105 -5.215 -9.695 3.566 822 2HB LEU 105 1HB LEU 105 -6.543 -10.035 2.512 823 HG LEU 105 HG LEU 105 -6.530 -7.787 1.605 824 1HD1 LEU 105 1HD1 LEU 105 -4.658 -6.251 2.092 825 2HD1 LEU 105 2HD1 LEU 105 -4.106 -7.353 3.357 826 3HD1 LEU 105 3HD1 LEU 105 -5.664 -6.547 3.508 827 1HD2 LEU 105 1HD2 LEU 105 -4.429 -7.939 0.347 828 2HD2 LEU 105 2HD2 LEU 105 -5.224 -9.508 0.487 829 3HD2 LEU 105 3HD2 LEU 105 -3.832 -9.129 1.505 830 H GLN 106 H GLN 106 -8.574 -10.408 3.051 831 HA GLN 106 HA GLN 106 -10.202 -8.700 1.522 832 1HB GLN 106 2HB GLN 106 -10.865 -11.449 2.583 833 2HB GLN 106 1HB GLN 106 -11.810 -10.600 1.367 834 1HG GLN 106 2HG GLN 106 -9.875 -10.586 -0.121 835 2HG GLN 106 1HG GLN 106 -8.934 -11.439 1.098 836 1HE2 GLN 106 1HE2 GLN 106 -8.562 -13.160 -0.227 837 2HE2 GLN 106 2HE2 GLN 106 -9.779 -14.310 -0.665 838 H SER 107 H SER 107 -10.577 -9.803 4.801 839 HA SER 107 HA SER 107 -13.164 -8.724 5.243 840 1HB SER 107 2HB SER 107 -10.925 -9.126 7.251 841 2HB SER 107 1HB SER 107 -12.629 -8.908 7.644 842 HG SER 107 HG SER 107 -12.071 -10.929 5.833 843 H THR 108 H THR 108 -9.934 -7.387 5.478 844 HA THR 108 HA THR 108 -10.725 -4.873 6.515 845 HB THR 108 HB THR 108 -8.194 -5.643 5.021 846 HG1 THR 108 1HG THR 108 -8.353 -6.936 6.844 847 1HG2 THR 108 1HG2 THR 108 -8.534 -3.202 5.223 848 2HG2 THR 108 2HG2 THR 108 -7.193 -3.741 6.231 849 3HG2 THR 108 3HG2 THR 108 -8.757 -3.381 6.963 850 H ILE 109 H ILE 109 -10.339 -6.224 3.308 851 HA ILE 109 HA ILE 109 -10.654 -3.824 1.863 852 HB ILE 109 HB ILE 109 -11.438 -6.650 1.057 853 1HG1 ILE 109 2HG1 ILE 109 -8.935 -5.055 0.450 854 2HG1 ILE 109 1HG1 ILE 109 -9.039 -6.386 1.593 855 1HG2 ILE 109 1HG2 ILE 109 -11.352 -5.821 -1.249 856 2HG2 ILE 109 2HG2 ILE 109 -11.044 -4.193 -0.652 857 3HG2 ILE 109 3HG2 ILE 109 -12.588 -4.981 -0.309 858 1HD1 ILE 109 1HD1 ILE 109 -8.032 -7.089 -0.493 859 2HD1 ILE 109 2HD1 ILE 109 -9.455 -6.556 -1.383 860 3HD1 ILE 109 3HD1 ILE 109 -9.576 -7.909 -0.263 861 H ALA 110 H ALA 110 -12.976 -6.301 2.917 862 HA ALA 110 HA ALA 110 -15.321 -5.054 2.030 863 1HB ALA 110 1HB ALA 110 -14.960 -6.845 4.437 864 2HB ALA 110 2HB ALA 110 -15.209 -7.397 2.782 865 3HB ALA 110 3HB ALA 110 -16.483 -6.511 3.615 866 H LYS 111 H LYS 111 -13.468 -4.633 4.935 867 HA LYS 111 HA LYS 111 -15.100 -2.979 6.494 868 1HB LYS 111 2HB LYS 111 -12.872 -3.992 7.053 869 2HB LYS 111 1HB LYS 111 -12.220 -2.783 5.994 870 1HG LYS 111 2HG LYS 111 -12.902 -0.983 7.429 871 2HG LYS 111 1HG LYS 111 -13.694 -2.112 8.532 872 1HD LYS 111 2HD LYS 111 -11.550 -3.183 9.001 873 2HD LYS 111 1HD LYS 111 -10.742 -2.087 7.881 874 1HE LYS 111 2HE LYS 111 -10.399 -1.356 10.166 875 2HE LYS 111 1HE LYS 111 -11.398 -0.199 9.291 876 1HZ LYS 111 1HZ LYS 111 -13.348 -1.096 10.364 877 2HZ LYS 111 2HZ LYS 111 -12.226 -0.629 11.528 878 3HZ LYS 111 3HZ LYS 111 -12.422 -2.258 11.167 879 H HIS 112 H HIS 112 -12.810 -2.219 3.965 880 HA HIS 112 HA HIS 112 -13.338 0.573 3.991 881 1HB HIS 112 2HB HIS 112 -11.737 -1.211 2.217 882 2HB HIS 112 1HB HIS 112 -12.016 0.463 1.794 883 HD1 HIS 112 1HD HIS 112 -10.712 2.205 3.079 884 HD2 HIS 112 2HD HIS 112 -10.056 -1.631 4.481 885 HE1 HIS 112 1HE HIS 112 -8.677 2.353 4.590 886 HE2 HIS 112 2HE HIS 112 -8.531 0.045 5.627 887 H LEU 113 H LEU 113 -14.836 -2.170 2.262 888 HA LEU 113 HA LEU 113 -15.874 -0.555 0.244 889 1HB LEU 113 2HB LEU 113 -16.168 -3.338 1.155 890 2HB LEU 113 1HB LEU 113 -17.028 -2.700 -0.205 891 HG LEU 113 HG LEU 113 -14.126 -2.958 0.101 892 1HD1 LEU 113 1HD1 LEU 113 -16.097 -4.369 -1.687 893 2HD1 LEU 113 2HD1 LEU 113 -15.236 -5.078 -0.316 894 3HD1 LEU 113 3HD1 LEU 113 -14.349 -4.598 -1.771 895 1HD2 LEU 113 1HD2 LEU 113 -15.694 -1.867 -2.233 896 2HD2 LEU 113 2HD2 LEU 113 -13.979 -2.258 -2.280 897 3HD2 LEU 113 3HD2 LEU 113 -14.551 -0.981 -1.217 898 H ALA 114 H ALA 114 -16.516 -0.159 3.109 899 HA ALA 114 HA ALA 114 -19.428 -0.047 2.773 900 1HB ALA 114 1HB ALA 114 -18.923 -1.779 4.415 901 2HB ALA 114 2HB ALA 114 -19.680 -0.398 5.219 902 3HB ALA 114 3HB ALA 114 -17.936 -0.647 5.334 Start of MODEL 18 1 H MET 1 H MET 1 -13.214 9.788 -20.923 2 HA MET 1 HA MET 1 -10.488 10.647 -20.868 3 1HB MET 1 2HB MET 1 -12.093 11.501 -19.215 4 2HB MET 1 1HB MET 1 -12.286 9.880 -18.565 5 1HG MET 1 2HG MET 1 -9.933 9.857 -17.911 6 2HG MET 1 1HG MET 1 -9.735 11.480 -18.559 7 1HE MET 1 1HE MET 1 -9.490 12.078 -14.721 8 2HE MET 1 2HE MET 1 -8.720 12.308 -16.291 9 3HE MET 1 3HE MET 1 -8.887 10.688 -15.619 10 H ALA 2 H ALA 2 -8.954 9.261 -21.328 11 HA ALA 2 HA ALA 2 -9.106 6.521 -20.605 12 1HB ALA 2 1HB ALA 2 -6.830 6.391 -21.522 13 2HB ALA 2 2HB ALA 2 -6.783 8.148 -21.658 14 3HB ALA 2 3HB ALA 2 -7.923 7.220 -22.630 15 H SER 3 H SER 3 -8.739 5.816 -18.703 16 HA SER 3 HA SER 3 -7.449 7.480 -16.686 17 1HB SER 3 2HB SER 3 -9.015 4.913 -16.450 18 2HB SER 3 1HB SER 3 -8.532 5.976 -15.126 19 HG SER 3 HG SER 3 -10.520 6.239 -17.006 20 H GLU 4 H GLU 4 -6.694 5.318 -14.938 21 HA GLU 4 HA GLU 4 -4.462 4.204 -16.482 22 1HB GLU 4 2HB GLU 4 -3.762 6.124 -15.047 23 2HB GLU 4 1HB GLU 4 -4.331 5.250 -13.640 24 1HG GLU 4 2HG GLU 4 -1.931 5.088 -13.801 25 2HG GLU 4 1HG GLU 4 -2.652 3.504 -14.063 26 H GLU 5 H GLU 5 -5.599 3.832 -13.104 27 HA GLU 5 HA GLU 5 -6.171 2.120 -11.822 28 1HB GLU 5 2HB GLU 5 -7.097 0.846 -14.394 29 2HB GLU 5 1HB GLU 5 -7.342 0.126 -12.818 30 1HG GLU 5 2HG GLU 5 -9.362 1.193 -13.477 31 2HG GLU 5 1HG GLU 5 -8.647 2.139 -12.180 32 H GLY 6 H GLY 6 -5.320 0.404 -10.789 33 1HA GLY 6 2HA GLY 6 -4.080 -1.519 -10.536 34 2HA GLY 6 1HA GLY 6 -3.717 -1.488 -12.250 35 H GLN 7 H GLN 7 -3.105 1.428 -10.540 36 HA GLN 7 HA GLN 7 -0.345 0.793 -11.004 37 1HB GLN 7 2HB GLN 7 0.137 3.157 -10.610 38 2HB GLN 7 1HB GLN 7 -0.815 2.738 -12.023 39 1HG GLN 7 2HG GLN 7 -2.838 3.503 -10.838 40 2HG GLN 7 1HG GLN 7 -1.870 3.845 -9.406 41 1HE2 GLN 7 1HE2 GLN 7 -3.532 5.615 -11.005 42 2HE2 GLN 7 2HE2 GLN 7 -2.474 6.895 -11.511 43 H VAL 8 H VAL 8 0.978 0.486 -9.774 44 HA VAL 8 HA VAL 8 0.706 1.056 -6.896 45 HB VAL 8 HB VAL 8 2.195 -1.262 -8.168 46 1HG1 VAL 8 1HG1 VAL 8 1.752 -0.585 -5.259 47 2HG1 VAL 8 2HG1 VAL 8 3.282 -0.498 -6.134 48 3HG1 VAL 8 3HG1 VAL 8 2.514 -2.062 -5.852 49 1HG2 VAL 8 1HG2 VAL 8 -0.364 -1.287 -6.560 50 2HG2 VAL 8 2HG2 VAL 8 0.510 -2.718 -7.104 51 3HG2 VAL 8 3HG2 VAL 8 -0.212 -1.624 -8.282 52 H ILE 9 H ILE 9 2.143 2.613 -6.372 53 HA ILE 9 HA ILE 9 4.405 2.972 -8.153 54 HB ILE 9 HB ILE 9 3.497 4.661 -5.816 55 1HG1 ILE 9 2HG1 ILE 9 1.897 4.758 -7.646 56 2HG1 ILE 9 1HG1 ILE 9 2.820 6.252 -7.561 57 1HG2 ILE 9 1HG2 ILE 9 5.641 5.218 -7.869 58 2HG2 ILE 9 2HG2 ILE 9 5.897 4.898 -6.153 59 3HG2 ILE 9 3HG2 ILE 9 5.061 6.363 -6.661 60 1HD1 ILE 9 1HD1 ILE 9 4.192 5.525 -9.450 61 2HD1 ILE 9 2HD1 ILE 9 2.480 5.572 -9.860 62 3HD1 ILE 9 3HD1 ILE 9 3.260 4.026 -9.549 63 H ALA 10 H ALA 10 6.172 1.843 -7.749 64 HA ALA 10 HA ALA 10 6.729 0.890 -5.068 65 1HB ALA 10 1HB ALA 10 8.473 -0.460 -6.144 66 2HB ALA 10 2HB ALA 10 8.135 0.327 -7.683 67 3HB ALA 10 3HB ALA 10 6.912 -0.696 -6.929 68 H CYS 11 H CYS 11 7.928 2.116 -3.753 69 HA CYS 11 HA CYS 11 9.569 4.168 -4.922 70 1HB CYS 11 2HB CYS 11 9.035 3.647 -2.018 71 2HB CYS 11 1HB CYS 11 9.610 5.076 -2.800 72 HG CYS 11 HG CYS 11 6.505 3.948 -3.604 73 H HIS 12 H HIS 12 11.656 3.838 -5.158 74 HA HIS 12 HA HIS 12 13.003 1.927 -3.397 75 1HB HIS 12 2HB HIS 12 13.746 2.864 -6.175 76 2HB HIS 12 1HB HIS 12 14.832 1.947 -5.138 77 HD1 HIS 12 1HD HIS 12 14.530 -0.507 -5.041 78 HD2 HIS 12 2HD HIS 12 11.434 1.391 -7.049 79 HE1 HIS 12 1HE HIS 12 13.130 -2.356 -6.055 80 HE2 HIS 12 2HE HIS 12 11.385 -1.181 -7.392 81 H THR 13 H THR 13 12.305 5.022 -3.546 82 HA THR 13 HA THR 13 14.705 5.809 -2.155 83 HB THR 13 HB THR 13 14.731 7.994 -3.395 84 HG1 THR 13 1HG THR 13 13.525 6.941 -5.630 85 1HG2 THR 13 1HG2 THR 13 16.413 6.286 -3.957 86 2HG2 THR 13 2HG2 THR 13 15.945 7.195 -5.390 87 3HG2 THR 13 3HG2 THR 13 15.302 5.574 -5.128 88 H VAL 14 H VAL 14 14.273 7.697 -0.860 89 HA VAL 14 HA VAL 14 11.633 7.800 0.139 90 HB VAL 14 HB VAL 14 13.650 8.247 1.537 91 1HG1 VAL 14 1HG1 VAL 14 14.771 10.423 1.468 92 2HG1 VAL 14 2HG1 VAL 14 13.854 10.832 0.020 93 3HG1 VAL 14 3HG1 VAL 14 15.002 9.501 -0.017 94 1HG2 VAL 14 1HG2 VAL 14 11.683 10.539 1.477 95 2HG2 VAL 14 2HG2 VAL 14 12.758 10.150 2.822 96 3HG2 VAL 14 3HG2 VAL 14 11.491 9.017 2.347 97 H GLU 15 H GLU 15 13.280 9.410 -2.368 98 HA GLU 15 HA GLU 15 11.840 11.819 -2.598 99 1HB GLU 15 2HB GLU 15 13.928 11.313 -3.797 100 2HB GLU 15 1HB GLU 15 13.083 10.103 -4.737 101 1HG GLU 15 2HG GLU 15 11.627 11.862 -5.655 102 2HG GLU 15 1HG GLU 15 12.571 13.065 -4.779 103 H THR 16 H THR 16 11.418 8.678 -4.246 104 HA THR 16 HA THR 16 9.100 9.300 -5.676 105 HB THR 16 HB THR 16 9.964 6.614 -4.572 106 HG1 THR 16 1HG THR 16 10.836 8.197 -6.726 107 1HG2 THR 16 1HG2 THR 16 8.241 7.326 -6.948 108 2HG2 THR 16 2HG2 THR 16 7.675 6.594 -5.451 109 3HG2 THR 16 3HG2 THR 16 8.762 5.699 -6.518 110 H TRP 17 H TRP 17 9.579 7.950 -2.472 111 HA TRP 17 HA TRP 17 6.930 7.468 -1.754 112 1HB TRP 17 2HB TRP 17 8.797 6.547 -0.532 113 2HB TRP 17 1HB TRP 17 9.407 8.145 -0.164 114 HD1 TRP 17 HD TRP 17 9.005 8.798 2.242 115 HE1 TRP 17 1HE TRP 17 7.297 8.251 4.055 116 HE3 TRP 17 3HE TRP 17 5.923 5.762 -0.468 117 HZ2 TRP 17 2HZ TRP 17 4.926 6.721 4.318 118 HZ3 TRP 17 3HZ TRP 17 3.950 4.803 0.644 119 HH2 TRP 17 HH TRP 17 3.464 5.276 2.985 120 H ASN 18 H ASN 18 8.990 10.271 -1.138 121 HA ASN 18 HA ASN 18 7.182 11.875 0.253 122 1HB ASN 18 2HB ASN 18 9.620 12.186 0.196 123 2HB ASN 18 1HB ASN 18 9.512 12.686 -1.479 124 1HD2 ASN 18 1HD2 ASN 18 8.912 13.537 1.782 125 2HD2 ASN 18 2HD2 ASN 18 8.615 15.217 1.520 126 H GLU 19 H GLU 19 7.982 11.838 -3.196 127 HA GLU 19 HA GLU 19 6.551 14.042 -4.102 128 1HB GLU 19 2HB GLU 19 8.158 12.886 -5.487 129 2HB GLU 19 1HB GLU 19 7.189 11.425 -5.461 130 1HG GLU 19 2HG GLU 19 5.444 12.559 -6.737 131 2HG GLU 19 1HG GLU 19 6.421 14.026 -6.767 132 H GLN 20 H GLN 20 5.422 10.626 -3.930 133 HA GLN 20 HA GLN 20 2.900 11.191 -4.859 134 1HB GLN 20 2HB GLN 20 4.385 8.977 -3.732 135 2HB GLN 20 1HB GLN 20 2.627 8.836 -3.724 136 1HG GLN 20 2HG GLN 20 3.775 7.809 -5.747 137 2HG GLN 20 1HG GLN 20 2.535 9.030 -6.043 138 1HE2 GLN 20 1HE2 GLN 20 6.011 8.495 -6.050 139 2HE2 GLN 20 2HE2 GLN 20 6.342 9.807 -7.134 140 H LEU 21 H LEU 21 4.281 11.115 -1.527 141 HA LEU 21 HA LEU 21 1.848 10.973 -0.240 142 1HB LEU 21 2HB LEU 21 4.520 11.961 0.386 143 2HB LEU 21 1HB LEU 21 3.238 12.052 1.548 144 HG LEU 21 HG LEU 21 4.555 9.589 0.401 145 1HD1 LEU 21 1HD1 LEU 21 4.425 10.723 3.189 146 2HD1 LEU 21 2HD1 LEU 21 5.821 10.759 2.109 147 3HD1 LEU 21 3HD1 LEU 21 5.222 9.220 2.726 148 1HD2 LEU 21 1HD2 LEU 21 2.158 9.149 0.676 149 2HD2 LEU 21 2HD2 LEU 21 2.231 9.757 2.331 150 3HD2 LEU 21 3HD2 LEU 21 3.096 8.283 1.895 151 H GLN 22 H GLN 22 3.813 13.680 -1.298 152 HA GLN 22 HA GLN 22 2.287 15.658 -0.074 153 1HB GLN 22 2HB GLN 22 3.680 15.837 -2.742 154 2HB GLN 22 1HB GLN 22 3.114 17.191 -1.781 155 1HG GLN 22 2HG GLN 22 4.716 16.556 -0.025 156 2HG GLN 22 1HG GLN 22 5.332 15.289 -1.095 157 1HE2 GLN 22 1HE2 GLN 22 7.374 16.226 -1.278 158 2HE2 GLN 22 2HE2 GLN 22 7.612 17.681 -2.174 159 H LYS 23 H LYS 23 2.030 14.169 -3.241 160 HA LYS 23 HA LYS 23 -0.143 15.679 -4.192 161 1HB LYS 23 2HB LYS 23 1.494 14.114 -5.470 162 2HB LYS 23 1HB LYS 23 0.425 12.817 -4.988 163 1HG LYS 23 2HG LYS 23 -0.361 15.191 -6.704 164 2HG LYS 23 1HG LYS 23 0.008 13.577 -7.296 165 1HD LYS 23 2HD LYS 23 -1.925 12.701 -6.108 166 2HD LYS 23 1HD LYS 23 -2.271 14.300 -5.445 167 1HE LYS 23 2HE LYS 23 -2.565 15.146 -7.755 168 2HE LYS 23 1HE LYS 23 -2.311 13.507 -8.355 169 1HZ LYS 23 1HZ LYS 23 -4.654 14.069 -8.202 170 2HZ LYS 23 2HZ LYS 23 -4.508 14.360 -6.546 171 3HZ LYS 23 3HZ LYS 23 -4.293 12.804 -7.153 172 H ALA 24 H ALA 24 0.008 12.497 -2.458 173 HA ALA 24 HA ALA 24 -2.777 12.065 -2.624 174 1HB ALA 24 1HB ALA 24 -1.157 10.251 -2.270 175 2HB ALA 24 2HB ALA 24 -2.395 10.280 -1.011 176 3HB ALA 24 3HB ALA 24 -0.783 10.907 -0.677 177 H ASN 25 H ASN 25 -0.765 13.827 -0.444 178 HA ASN 25 HA ASN 25 -2.601 13.947 1.748 179 1HB ASN 25 2HB ASN 25 -0.047 14.363 1.738 180 2HB ASN 25 1HB ASN 25 -0.454 15.908 1.099 181 1HD2 ASN 25 1HD2 ASN 25 -1.252 17.500 2.322 182 2HD2 ASN 25 2HD2 ASN 25 -1.523 17.381 4.030 183 H GLU 26 H GLU 26 -1.492 16.260 -0.617 184 HA GLU 26 HA GLU 26 -3.419 18.203 0.034 185 1HB GLU 26 2HB GLU 26 -1.633 17.948 -2.344 186 2HB GLU 26 1HB GLU 26 -2.906 19.155 -2.345 187 1HG GLU 26 2HG GLU 26 -0.824 20.154 -1.663 188 2HG GLU 26 1HG GLU 26 -1.947 20.154 -0.318 189 H SER 27 H SER 27 -3.613 15.642 -2.405 190 HA SER 27 HA SER 27 -6.127 16.641 -3.330 191 1HB SER 27 2HB SER 27 -4.763 14.000 -3.750 192 2HB SER 27 1HB SER 27 -6.203 14.549 -4.605 193 HG SER 27 HG SER 27 -4.063 16.296 -4.657 194 H LYS 28 H LYS 28 -5.171 14.952 -0.559 195 HA LYS 28 HA LYS 28 -6.175 13.773 1.058 196 1HB LYS 28 2HB LYS 28 -8.556 15.048 -0.129 197 2HB LYS 28 1HB LYS 28 -8.664 14.131 1.371 198 1HG LYS 28 2HG LYS 28 -7.007 15.737 2.351 199 2HG LYS 28 1HG LYS 28 -7.115 16.677 0.862 200 1HD LYS 28 2HD LYS 28 -9.499 16.990 1.216 201 2HD LYS 28 1HD LYS 28 -9.419 16.020 2.681 202 1HE LYS 28 2HE LYS 28 -7.889 17.663 3.678 203 2HE LYS 28 1HE LYS 28 -7.985 18.629 2.208 204 1HZ LYS 28 1HZ LYS 28 -9.472 19.455 3.934 205 2HZ LYS 28 2HZ LYS 28 -10.307 17.977 3.943 206 3HZ LYS 28 3HZ LYS 28 -10.338 18.938 2.589 207 H THR 29 H THR 29 -5.659 12.477 -1.339 208 HA THR 29 HA THR 29 -7.822 10.739 -2.034 209 HB THR 29 HB THR 29 -4.929 10.331 -2.546 210 HG1 THR 29 1HG THR 29 -6.861 11.982 -3.887 211 1HG2 THR 29 1HG2 THR 29 -5.725 9.272 -4.649 212 2HG2 THR 29 2HG2 THR 29 -7.384 9.591 -4.147 213 3HG2 THR 29 3HG2 THR 29 -6.373 8.493 -3.204 214 H LEU 30 H LEU 30 -7.983 8.650 -1.471 215 HA LEU 30 HA LEU 30 -6.890 7.963 1.036 216 1HB LEU 30 2HB LEU 30 -9.244 7.395 0.456 217 2HB LEU 30 1HB LEU 30 -8.694 6.384 -0.850 218 HG LEU 30 HG LEU 30 -8.232 5.726 2.085 219 1HD1 LEU 30 1HD1 LEU 30 -10.609 5.828 1.593 220 2HD1 LEU 30 2HD1 LEU 30 -10.072 4.164 1.832 221 3HD1 LEU 30 3HD1 LEU 30 -10.371 4.768 0.203 222 1HD2 LEU 30 1HD2 LEU 30 -7.832 3.462 1.255 223 2HD2 LEU 30 2HD2 LEU 30 -6.700 4.594 0.507 224 3HD2 LEU 30 3HD2 LEU 30 -8.096 4.011 -0.401 225 H VAL 31 H VAL 31 -5.125 6.467 1.266 226 HA VAL 31 HA VAL 31 -4.010 5.443 -1.209 227 HB VAL 31 HB VAL 31 -2.859 7.492 -0.672 228 1HG1 VAL 31 1HG1 VAL 31 -2.249 6.300 2.003 229 2HG1 VAL 31 2HG1 VAL 31 -3.321 7.664 1.679 230 3HG1 VAL 31 3HG1 VAL 31 -1.586 7.814 1.387 231 1HG2 VAL 31 1HG2 VAL 31 -1.491 5.738 -1.616 232 2HG2 VAL 31 2HG2 VAL 31 -1.153 5.105 -0.004 233 3HG2 VAL 31 3HG2 VAL 31 -0.542 6.694 -0.475 234 H VAL 32 H VAL 32 -3.009 3.476 -1.077 235 HA VAL 32 HA VAL 32 -2.949 2.161 1.549 236 HB VAL 32 HB VAL 32 -3.567 0.901 -1.096 237 1HG1 VAL 32 1HG1 VAL 32 -4.034 -1.163 0.213 238 2HG1 VAL 32 2HG1 VAL 32 -3.521 -0.321 1.674 239 3HG1 VAL 32 3HG1 VAL 32 -2.361 -0.628 0.382 240 1HG2 VAL 32 1HG2 VAL 32 -5.471 2.188 -0.330 241 2HG2 VAL 32 2HG2 VAL 32 -5.400 1.402 1.246 242 3HG2 VAL 32 3HG2 VAL 32 -5.830 0.467 -0.186 243 H VAL 33 H VAL 33 -1.001 1.320 2.059 244 HA VAL 33 HA VAL 33 0.975 1.197 -0.118 245 HB VAL 33 HB VAL 33 1.591 2.095 2.702 246 1HG1 VAL 33 1HG1 VAL 33 3.466 1.067 1.593 247 2HG1 VAL 33 2HG1 VAL 33 3.740 2.801 1.766 248 3HG1 VAL 33 3HG1 VAL 33 3.265 2.133 0.203 249 1HG2 VAL 33 1HG2 VAL 33 1.234 3.799 0.230 250 2HG2 VAL 33 2HG2 VAL 33 1.869 4.370 1.770 251 3HG2 VAL 33 3HG2 VAL 33 0.206 3.792 1.660 252 H ASP 34 H ASP 34 2.046 -0.613 -0.263 253 HA ASP 34 HA ASP 34 1.882 -2.654 1.842 254 1HB ASP 34 2HB ASP 34 1.321 -3.535 -0.313 255 2HB ASP 34 1HB ASP 34 2.694 -2.744 -1.070 256 H PHE 35 H PHE 35 3.555 -2.716 3.315 257 HA PHE 35 HA PHE 35 6.165 -1.830 2.351 258 1HB PHE 35 2HB PHE 35 5.057 -2.181 5.135 259 2HB PHE 35 1HB PHE 35 6.685 -1.698 4.723 260 HD1 PHE 35 1HD PHE 35 3.167 -0.663 4.876 261 HD2 PHE 35 2HD PHE 35 7.158 0.580 4.076 262 HE1 PHE 35 1HE PHE 35 2.461 1.691 5.019 263 HE2 PHE 35 2HE PHE 35 6.457 2.933 4.211 264 HZ PHE 35 HZ PHE 35 4.107 3.490 4.686 265 H THR 36 H THR 36 7.252 -3.609 1.704 266 HA THR 36 HA THR 36 7.939 -5.543 3.636 267 HB THR 36 HB THR 36 5.829 -6.500 2.688 268 HG1 THR 36 1HG THR 36 6.706 -8.512 2.650 269 1HG2 THR 36 1HG2 THR 36 5.916 -7.481 0.412 270 2HG2 THR 36 2HG2 THR 36 7.491 -6.733 0.175 271 3HG2 THR 36 3HG2 THR 36 6.061 -5.725 0.383 272 H ALA 37 H ALA 37 9.454 -7.180 2.376 273 HA ALA 37 HA ALA 37 11.044 -5.548 0.520 274 1HB ALA 37 1HB ALA 37 11.979 -7.819 2.284 275 2HB ALA 37 2HB ALA 37 12.276 -6.103 2.572 276 3HB ALA 37 3HB ALA 37 12.989 -6.902 1.170 277 H SER 38 H SER 38 11.593 -6.406 -1.394 278 HA SER 38 HA SER 38 9.845 -8.168 -2.620 279 1HB SER 38 2HB SER 38 12.614 -7.409 -3.540 280 2HB SER 38 1HB SER 38 11.309 -8.033 -4.552 281 HG SER 38 HG SER 38 11.242 -5.597 -3.052 282 H TRP 39 H TRP 39 12.719 -8.977 -0.855 283 HA TRP 39 HA TRP 39 12.939 -11.569 -2.056 284 1HB TRP 39 2HB TRP 39 14.742 -11.957 -0.284 285 2HB TRP 39 1HB TRP 39 15.025 -10.695 -1.460 286 HD1 TRP 39 HD TRP 39 15.762 -8.490 -0.544 287 HE1 TRP 39 1HE TRP 39 15.933 -7.376 1.771 288 HE3 TRP 39 3HE TRP 39 13.287 -11.980 2.188 289 HZ2 TRP 39 2HZ TRP 39 15.106 -7.919 4.416 290 HZ3 TRP 39 3HZ TRP 39 13.017 -11.619 4.615 291 HH2 TRP 39 HH TRP 39 13.909 -9.630 5.695 292 H CYS 40 H CYS 40 10.631 -10.567 -0.194 293 HA CYS 40 HA CYS 40 10.567 -12.785 1.687 294 1HB CYS 40 2HB CYS 40 9.847 -10.663 2.515 295 2HB CYS 40 1HB CYS 40 8.712 -10.451 1.195 296 H GLY 41 H GLY 41 9.667 -14.677 1.195 297 1HA GLY 41 2HA GLY 41 8.536 -15.269 -1.295 298 2HA GLY 41 1HA GLY 41 8.513 -16.312 0.110 299 HA PRO 42 HA PRO 42 4.139 -15.777 0.838 300 1HB PRO 42 2HB PRO 42 4.561 -14.056 3.234 301 2HB PRO 42 1HB PRO 42 3.626 -15.546 3.082 302 1HG PRO 42 2HG PRO 42 5.969 -15.559 4.313 303 2HG PRO 42 1HG PRO 42 5.509 -16.898 3.250 304 1HD PRO 42 2HD PRO 42 7.399 -14.636 2.740 305 2HD PRO 42 1HD PRO 42 7.524 -16.338 2.256 306 H CYS 43 H CYS 43 5.998 -12.888 1.296 307 HA CYS 43 HA CYS 43 3.926 -10.986 0.916 308 1HB CYS 43 2HB CYS 43 6.876 -10.707 0.420 309 2HB CYS 43 1HB CYS 43 5.734 -9.411 0.766 310 H ARG 44 H ARG 44 6.277 -12.544 -1.212 311 HA ARG 44 HA ARG 44 5.556 -11.083 -3.541 312 1HB ARG 44 2HB ARG 44 7.747 -12.168 -3.251 313 2HB ARG 44 1HB ARG 44 6.967 -13.738 -3.230 314 1HG ARG 44 2HG ARG 44 6.298 -13.467 -5.542 315 2HG ARG 44 1HG ARG 44 6.987 -11.846 -5.576 316 1HD ARG 44 2HD ARG 44 9.188 -12.775 -5.071 317 2HD ARG 44 1HD ARG 44 8.493 -14.394 -5.051 318 HE ARG 44 HE ARG 44 7.904 -13.167 -7.488 319 1HH1 ARG 44 1HH1 ARG 44 10.662 -14.512 -5.720 320 2HH1 ARG 44 2HH1 ARG 44 11.542 -14.934 -7.119 321 1HH2 ARG 44 1HH2 ARG 44 9.112 -13.728 -9.418 322 2HH2 ARG 44 2HH2 ARG 44 10.637 -14.461 -9.277 323 H PHE 45 H PHE 45 4.437 -13.929 -1.969 324 HA PHE 45 HA PHE 45 2.829 -14.965 -4.066 325 1HB PHE 45 2HB PHE 45 3.552 -16.335 -2.150 326 2HB PHE 45 1HB PHE 45 2.594 -15.335 -1.073 327 HD1 PHE 45 1HD PHE 45 0.266 -15.723 -0.786 328 HD2 PHE 45 2HD PHE 45 2.419 -17.784 -3.822 329 HE1 PHE 45 1HE PHE 45 -1.655 -17.216 -1.126 330 HE2 PHE 45 2HE PHE 45 0.500 -19.284 -4.169 331 HZ PHE 45 HZ PHE 45 -1.540 -18.999 -2.822 332 H ILE 46 H ILE 46 2.241 -12.613 -1.510 333 HA ILE 46 HA ILE 46 -0.581 -12.476 -2.166 334 HB ILE 46 HB ILE 46 0.193 -12.333 0.202 335 1HG1 ILE 46 2HG1 ILE 46 -1.158 -10.329 0.883 336 2HG1 ILE 46 1HG1 ILE 46 -1.292 -9.919 -0.826 337 1HG2 ILE 46 1HG2 ILE 46 2.226 -11.115 -0.111 338 2HG2 ILE 46 2HG2 ILE 46 1.201 -10.308 1.077 339 3HG2 ILE 46 3HG2 ILE 46 1.326 -9.670 -0.568 340 1HD1 ILE 46 1HD1 ILE 46 -3.261 -11.087 -0.020 341 2HD1 ILE 46 2HD1 ILE 46 -2.217 -12.430 0.476 342 3HD1 ILE 46 3HD1 ILE 46 -2.391 -12.044 -1.239 343 H ALA 47 H ALA 47 2.319 -10.864 -2.991 344 HA ALA 47 HA ALA 47 1.647 -8.273 -3.534 345 1HB ALA 47 1HB ALA 47 3.929 -9.170 -3.644 346 2HB ALA 47 2HB ALA 47 3.528 -8.183 -5.054 347 3HB ALA 47 3HB ALA 47 3.535 -9.938 -5.181 348 HA PRO 48 HA PRO 48 0.336 -9.411 -8.176 349 1HB PRO 48 2HB PRO 48 -1.109 -11.790 -8.221 350 2HB PRO 48 1HB PRO 48 0.547 -11.576 -8.800 351 1HG PRO 48 2HG PRO 48 -0.415 -12.606 -6.164 352 2HG PRO 48 1HG PRO 48 0.899 -13.209 -7.187 353 1HD PRO 48 2HD PRO 48 1.447 -11.740 -5.052 354 2HD PRO 48 1HD PRO 48 2.339 -11.476 -6.569 355 H PHE 49 H PHE 49 -1.517 -10.592 -5.395 356 HA PHE 49 HA PHE 49 -4.001 -9.798 -6.546 357 1HB PHE 49 2HB PHE 49 -3.886 -11.610 -4.847 358 2HB PHE 49 1HB PHE 49 -3.427 -10.417 -3.633 359 HD1 PHE 49 1HD PHE 49 -6.139 -11.594 -5.812 360 HD2 PHE 49 2HD PHE 49 -5.051 -8.945 -2.666 361 HE1 PHE 49 1HE PHE 49 -8.512 -11.127 -5.390 362 HE2 PHE 49 2HE PHE 49 -7.418 -8.478 -2.237 363 HZ PHE 49 HZ PHE 49 -9.153 -9.566 -3.600 364 H PHE 50 H PHE 50 -1.640 -8.269 -4.482 365 HA PHE 50 HA PHE 50 -3.215 -6.063 -3.689 366 1HB PHE 50 2HB PHE 50 -1.049 -6.640 -2.620 367 2HB PHE 50 1HB PHE 50 -0.208 -6.225 -4.105 368 HD1 PHE 50 1HD PHE 50 -2.151 -4.873 -1.277 369 HD2 PHE 50 2HD PHE 50 0.340 -3.951 -4.605 370 HE1 PHE 50 1HE PHE 50 -1.913 -2.569 -0.459 371 HE2 PHE 50 2HE PHE 50 0.576 -1.642 -3.795 372 HZ PHE 50 HZ PHE 50 -0.550 -0.948 -1.717 373 H ALA 51 H ALA 51 -1.263 -6.741 -6.502 374 HA ALA 51 HA ALA 51 -1.543 -4.180 -7.712 375 1HB ALA 51 1HB ALA 51 0.285 -5.712 -8.296 376 2HB ALA 51 2HB ALA 51 -0.640 -5.241 -9.719 377 3HB ALA 51 3HB ALA 51 -0.882 -6.833 -8.998 378 H ASP 52 H ASP 52 -3.416 -7.105 -7.715 379 HA ASP 52 HA ASP 52 -5.191 -6.489 -9.888 380 1HB ASP 52 2HB ASP 52 -4.824 -8.758 -8.838 381 2HB ASP 52 1HB ASP 52 -5.712 -8.183 -7.469 382 H LEU 53 H LEU 53 -5.313 -6.138 -6.409 383 HA LEU 53 HA LEU 53 -7.787 -5.045 -6.056 384 1HB LEU 53 2HB LEU 53 -6.409 -5.931 -4.326 385 2HB LEU 53 1HB LEU 53 -5.134 -4.807 -4.695 386 HG LEU 53 HG LEU 53 -6.445 -3.068 -4.117 387 1HD1 LEU 53 1HD1 LEU 53 -8.745 -3.938 -4.343 388 2HD1 LEU 53 2HD1 LEU 53 -8.562 -3.433 -2.661 389 3HD1 LEU 53 3HD1 LEU 53 -8.440 -5.142 -3.088 390 1HD2 LEU 53 1HD2 LEU 53 -6.037 -5.079 -1.920 391 2HD2 LEU 53 2HD2 LEU 53 -6.363 -3.376 -1.601 392 3HD2 LEU 53 3HD2 LEU 53 -4.914 -3.845 -2.493 393 H ALA 54 H ALA 54 -4.673 -3.613 -6.718 394 HA ALA 54 HA ALA 54 -5.323 -0.905 -6.671 395 1HB ALA 54 1HB ALA 54 -3.025 -1.730 -6.772 396 2HB ALA 54 2HB ALA 54 -3.330 -0.545 -8.041 397 3HB ALA 54 3HB ALA 54 -3.287 -2.267 -8.429 398 H LYS 55 H LYS 55 -5.850 -3.290 -9.161 399 HA LYS 55 HA LYS 55 -6.525 -1.386 -11.198 400 1HB LYS 55 2HB LYS 55 -5.569 -3.550 -11.790 401 2HB LYS 55 1HB LYS 55 -6.918 -4.372 -11.036 402 1HG LYS 55 2HG LYS 55 -8.429 -3.472 -12.751 403 2HG LYS 55 1HG LYS 55 -7.085 -2.602 -13.478 404 1HD LYS 55 2HD LYS 55 -7.451 -4.569 -14.797 405 2HD LYS 55 1HD LYS 55 -5.971 -4.818 -13.889 406 1HE LYS 55 2HE LYS 55 -8.695 -5.993 -13.206 407 2HE LYS 55 1HE LYS 55 -7.387 -6.853 -13.989 408 1HZ LYS 55 1HZ LYS 55 -7.394 -7.442 -11.665 409 2HZ LYS 55 2HZ LYS 55 -7.511 -5.877 -11.206 410 3HZ LYS 55 3HZ LYS 55 -6.061 -6.432 -11.913 411 H LYS 56 H LYS 56 -8.226 -3.132 -8.736 412 HA LYS 56 HA LYS 56 -10.810 -2.693 -9.877 413 1HB LYS 56 2HB LYS 56 -10.434 -4.643 -8.475 414 2HB LYS 56 1HB LYS 56 -10.033 -3.623 -7.105 415 1HG LYS 56 2HG LYS 56 -12.315 -2.771 -7.035 416 2HG LYS 56 1HG LYS 56 -12.727 -3.713 -8.461 417 1HD LYS 56 2HD LYS 56 -11.784 -4.892 -5.850 418 2HD LYS 56 1HD LYS 56 -13.476 -4.744 -6.321 419 1HE LYS 56 2HE LYS 56 -13.036 -6.169 -8.287 420 2HE LYS 56 1HE LYS 56 -11.350 -6.308 -7.791 421 1HZ LYS 56 1HZ LYS 56 -12.022 -7.437 -5.819 422 2HZ LYS 56 2HZ LYS 56 -12.702 -8.229 -7.139 423 3HZ LYS 56 3HZ LYS 56 -13.656 -7.235 -6.171 424 H LEU 57 H LEU 57 -8.839 -1.031 -7.454 425 HA LEU 57 HA LEU 57 -10.953 0.932 -7.202 426 1HB LEU 57 2HB LEU 57 -8.515 0.382 -5.526 427 2HB LEU 57 1HB LEU 57 -9.479 1.824 -5.345 428 HG LEU 57 HG LEU 57 -11.436 0.364 -4.770 429 1HD1 LEU 57 1HD1 LEU 57 -11.049 -1.945 -4.073 430 2HD1 LEU 57 2HD1 LEU 57 -9.392 -1.837 -4.673 431 3HD1 LEU 57 3HD1 LEU 57 -10.745 -1.708 -5.796 432 1HD2 LEU 57 1HD2 LEU 57 -9.015 0.138 -2.987 433 2HD2 LEU 57 2HD2 LEU 57 -10.675 -0.184 -2.495 434 3HD2 LEU 57 3HD2 LEU 57 -10.213 1.437 -3.004 435 HA PRO 58 HA PRO 58 -8.331 3.037 -10.285 436 1HB PRO 58 2HB PRO 58 -10.700 4.721 -10.613 437 2HB PRO 58 1HB PRO 58 -9.906 3.691 -11.802 438 1HG PRO 58 2HG PRO 58 -12.326 3.098 -10.791 439 2HG PRO 58 1HG PRO 58 -11.155 1.838 -11.206 440 1HD PRO 58 2HD PRO 58 -11.842 2.957 -8.505 441 2HD PRO 58 1HD PRO 58 -11.555 1.282 -9.025 442 H ASN 59 H ASN 59 -10.339 4.524 -7.807 443 HA ASN 59 HA ASN 59 -9.086 7.098 -8.092 444 1HB ASN 59 2HB ASN 59 -10.749 7.796 -6.491 445 2HB ASN 59 1HB ASN 59 -11.512 6.914 -7.811 446 1HD2 ASN 59 1HD2 ASN 59 -10.854 7.016 -4.444 447 2HD2 ASN 59 2HD2 ASN 59 -11.760 5.644 -3.982 448 H VAL 60 H VAL 60 -8.181 4.326 -6.574 449 HA VAL 60 HA VAL 60 -7.094 5.786 -4.289 450 HB VAL 60 HB VAL 60 -7.540 2.787 -4.596 451 1HG1 VAL 60 1HG1 VAL 60 -6.796 2.608 -2.264 452 2HG1 VAL 60 2HG1 VAL 60 -6.430 4.334 -2.247 453 3HG1 VAL 60 3HG1 VAL 60 -5.515 3.249 -3.293 454 1HG2 VAL 60 1HG2 VAL 60 -9.609 3.991 -4.181 455 2HG2 VAL 60 2HG2 VAL 60 -8.863 4.838 -2.831 456 3HG2 VAL 60 3HG2 VAL 60 -9.134 3.102 -2.727 457 H LEU 61 H LEU 61 -4.969 5.957 -4.112 458 HA LEU 61 HA LEU 61 -3.400 4.936 -6.364 459 1HB LEU 61 2HB LEU 61 -3.603 7.446 -5.558 460 2HB LEU 61 1HB LEU 61 -2.470 6.949 -4.334 461 HG LEU 61 HG LEU 61 -1.989 6.970 -7.316 462 1HD1 LEU 61 1HD1 LEU 61 -0.848 8.677 -5.128 463 2HD1 LEU 61 2HD1 LEU 61 -1.993 9.170 -6.381 464 3HD1 LEU 61 3HD1 LEU 61 -0.351 8.707 -6.821 465 1HD2 LEU 61 1HD2 LEU 61 0.341 6.390 -6.810 466 2HD2 LEU 61 2HD2 LEU 61 -0.766 5.111 -6.297 467 3HD2 LEU 61 3HD2 LEU 61 -0.080 6.214 -5.108 468 H PHE 62 H PHE 62 -2.071 3.231 -5.932 469 HA PHE 62 HA PHE 62 -1.627 2.556 -3.125 470 1HB PHE 62 2HB PHE 62 -1.396 0.825 -5.573 471 2HB PHE 62 1HB PHE 62 -1.118 0.306 -3.935 472 HD1 PHE 62 1HD PHE 62 -2.841 -0.565 -2.641 473 HD2 PHE 62 2HD PHE 62 -3.824 1.706 -6.101 474 HE1 PHE 62 1HE PHE 62 -5.207 -1.162 -2.358 475 HE2 PHE 62 2HE PHE 62 -6.193 1.115 -5.818 476 HZ PHE 62 HZ PHE 62 -6.890 -0.323 -3.947 477 H LEU 63 H LEU 63 0.344 2.185 -2.402 478 HA LEU 63 HA LEU 63 2.603 2.602 -4.209 479 1HB LEU 63 2HB LEU 63 2.308 3.739 -1.429 480 2HB LEU 63 1HB LEU 63 3.829 3.608 -2.254 481 HG LEU 63 HG LEU 63 2.877 5.176 -4.011 482 1HD1 LEU 63 1HD1 LEU 63 1.005 6.580 -3.369 483 2HD1 LEU 63 2HD1 LEU 63 0.754 5.579 -1.939 484 3HD1 LEU 63 3HD1 LEU 63 0.524 4.889 -3.546 485 1HD2 LEU 63 1HD2 LEU 63 4.449 5.921 -2.337 486 2HD2 LEU 63 2HD2 LEU 63 3.135 6.183 -1.191 487 3HD2 LEU 63 3HD2 LEU 63 3.243 7.167 -2.651 488 H LYS 64 H LYS 64 4.531 1.627 -3.501 489 HA LYS 64 HA LYS 64 4.215 -0.355 -1.405 490 1HB LYS 64 2HB LYS 64 3.741 -1.399 -3.661 491 2HB LYS 64 1HB LYS 64 5.381 -0.982 -4.132 492 1HG LYS 64 2HG LYS 64 4.797 -2.689 -1.731 493 2HG LYS 64 1HG LYS 64 4.935 -3.363 -3.346 494 1HD LYS 64 2HD LYS 64 7.217 -2.748 -3.497 495 2HD LYS 64 1HD LYS 64 7.096 -1.689 -2.091 496 1HE LYS 64 2HE LYS 64 8.220 -3.888 -1.658 497 2HE LYS 64 1HE LYS 64 6.838 -3.509 -0.628 498 1HZ LYS 64 1HZ LYS 64 5.476 -4.949 -1.812 499 2HZ LYS 64 2HZ LYS 64 6.877 -5.839 -1.510 500 3HZ LYS 64 3HZ LYS 64 6.597 -5.202 -3.045 501 H VAL 65 H VAL 65 5.775 -0.241 -0.075 502 HA VAL 65 HA VAL 65 8.234 1.114 -0.903 503 HB VAL 65 HB VAL 65 6.992 0.891 1.856 504 1HG1 VAL 65 1HG1 VAL 65 9.413 0.794 2.025 505 2HG1 VAL 65 2HG1 VAL 65 8.854 2.373 2.581 506 3HG1 VAL 65 3HG1 VAL 65 9.567 2.194 0.974 507 1HG2 VAL 65 1HG2 VAL 65 7.427 3.271 0.061 508 2HG2 VAL 65 2HG2 VAL 65 6.791 3.327 1.704 509 3HG2 VAL 65 3HG2 VAL 65 5.880 2.510 0.431 510 H ASP 66 H ASP 66 9.838 -0.222 -1.154 511 HA ASP 66 HA ASP 66 9.719 -2.839 0.010 512 1HB ASP 66 2HB ASP 66 10.595 -2.497 -2.287 513 2HB ASP 66 1HB ASP 66 11.885 -1.532 -1.571 514 H THR 67 H THR 67 10.508 -3.318 1.896 515 HA THR 67 HA THR 67 11.607 -1.281 3.526 516 HB THR 67 HB THR 67 11.620 -3.053 5.293 517 HG1 THR 67 1HG THR 67 11.303 -5.063 4.758 518 1HG2 THR 67 1HG2 THR 67 9.617 -1.671 4.898 519 2HG2 THR 67 2HG2 THR 67 9.175 -3.312 5.373 520 3HG2 THR 67 3HG2 THR 67 9.070 -2.826 3.681 521 H ASP 68 H ASP 68 13.080 -3.591 1.484 522 HA ASP 68 HA ASP 68 15.573 -3.772 2.970 523 1HB ASP 68 2HB ASP 68 14.736 -5.585 1.449 524 2HB ASP 68 1HB ASP 68 14.934 -4.494 0.102 525 H GLU 69 H GLU 69 14.134 -2.105 0.323 526 HA GLU 69 HA GLU 69 16.343 -0.535 -0.411 527 1HB GLU 69 2HB GLU 69 13.391 -0.308 -0.825 528 2HB GLU 69 1HB GLU 69 14.569 0.762 -1.543 529 1HG GLU 69 2HG GLU 69 14.489 -2.216 -1.965 530 2HG GLU 69 1HG GLU 69 13.787 -1.033 -3.066 531 H LEU 70 H LEU 70 13.234 0.465 1.246 532 HA LEU 70 HA LEU 70 14.677 2.712 2.249 533 1HB LEU 70 2HB LEU 70 11.755 2.121 1.939 534 2HB LEU 70 1HB LEU 70 12.397 3.465 2.836 535 HG LEU 70 HG LEU 70 13.423 4.318 0.702 536 1HD1 LEU 70 1HD1 LEU 70 11.808 2.132 -0.560 537 2HD1 LEU 70 2HD1 LEU 70 13.568 2.241 -0.492 538 3HD1 LEU 70 3HD1 LEU 70 12.645 3.429 -1.415 539 1HD2 LEU 70 1HD2 LEU 70 11.304 5.220 1.469 540 2HD2 LEU 70 2HD2 LEU 70 10.431 3.944 0.627 541 3HD2 LEU 70 3HD2 LEU 70 11.351 5.135 -0.286 542 H LYS 71 H LYS 71 15.738 1.446 3.815 543 HA LYS 71 HA LYS 71 14.363 -0.029 5.804 544 1HB LYS 71 2HB LYS 71 17.153 1.108 5.812 545 2HB LYS 71 1HB LYS 71 16.528 -0.053 6.976 546 1HG LYS 71 2HG LYS 71 16.207 -1.684 5.213 547 2HG LYS 71 1HG LYS 71 16.759 -0.516 4.013 548 1HD LYS 71 2HD LYS 71 18.944 -0.439 5.093 549 2HD LYS 71 1HD LYS 71 18.387 -1.598 6.305 550 1HE LYS 71 2HE LYS 71 18.037 -3.268 4.582 551 2HE LYS 71 1HE LYS 71 18.500 -2.114 3.338 552 1HZ LYS 71 1HZ LYS 71 20.255 -3.151 5.497 553 2HZ LYS 71 2HZ LYS 71 20.700 -2.013 4.327 554 3HZ LYS 71 3HZ LYS 71 20.285 -3.593 3.868 555 H SER 72 H SER 72 15.578 3.286 5.672 556 HA SER 72 HA SER 72 15.062 3.805 8.417 557 1HB SER 72 2HB SER 72 15.406 5.740 6.147 558 2HB SER 72 1HB SER 72 15.517 6.140 7.859 559 HG SER 72 HG SER 72 17.145 4.077 7.320 560 H VAL 73 H VAL 73 13.276 4.343 5.436 561 HA VAL 73 HA VAL 73 11.146 5.727 6.682 562 HB VAL 73 HB VAL 73 11.106 4.150 4.082 563 1HG1 VAL 73 1HG1 VAL 73 8.848 4.495 4.923 564 2HG1 VAL 73 2HG1 VAL 73 9.140 5.479 3.489 565 3HG1 VAL 73 3HG1 VAL 73 9.164 6.221 5.089 566 1HG2 VAL 73 1HG2 VAL 73 11.371 6.377 3.018 567 2HG2 VAL 73 2HG2 VAL 73 12.748 5.932 4.021 568 3HG2 VAL 73 3HG2 VAL 73 11.555 7.080 4.622 569 H ALA 74 H ALA 74 11.685 2.309 5.908 570 HA ALA 74 HA ALA 74 9.228 1.299 6.741 571 1HB ALA 74 1HB ALA 74 10.382 -0.834 7.021 572 2HB ALA 74 2HB ALA 74 11.936 -0.001 6.990 573 3HB ALA 74 3HB ALA 74 10.921 -0.021 5.550 574 H SER 75 H SER 75 12.195 1.885 8.597 575 HA SER 75 HA SER 75 11.174 0.884 11.025 576 1HB SER 75 2HB SER 75 13.586 1.064 10.562 577 2HB SER 75 1HB SER 75 13.453 2.823 10.538 578 HG SER 75 HG SER 75 12.949 1.090 12.709 579 H ASP 76 H ASP 76 10.996 4.027 9.473 580 HA ASP 76 HA ASP 76 10.301 5.545 11.778 581 1HB ASP 76 2HB ASP 76 11.143 6.573 9.688 582 2HB ASP 76 1HB ASP 76 9.648 6.120 8.884 583 H TRP 77 H TRP 77 8.454 3.807 9.357 584 HA TRP 77 HA TRP 77 5.993 4.640 10.552 585 1HB TRP 77 2HB TRP 77 6.589 2.921 8.186 586 2HB TRP 77 1HB TRP 77 4.938 3.232 8.727 587 HD1 TRP 77 HD TRP 77 7.919 4.912 7.014 588 HE1 TRP 77 1HE TRP 77 7.145 7.105 5.932 589 HE3 TRP 77 3HE TRP 77 3.169 5.134 8.892 590 HZ2 TRP 77 2HZ TRP 77 4.844 8.719 5.863 591 HZ3 TRP 77 3HZ TRP 77 1.752 7.048 8.260 592 HH2 TRP 77 HH TRP 77 2.571 8.794 6.783 593 H ALA 78 H ALA 78 8.150 2.636 11.576 594 HA ALA 78 HA ALA 78 8.251 0.959 13.076 595 1HB ALA 78 1HB ALA 78 6.464 2.197 14.217 596 2HB ALA 78 2HB ALA 78 6.287 0.459 14.450 597 3HB ALA 78 3HB ALA 78 5.256 1.302 13.296 598 H ILE 79 H ILE 79 7.935 0.324 10.268 599 HA ILE 79 HA ILE 79 6.268 -2.022 10.191 600 HB ILE 79 HB ILE 79 8.242 -1.038 8.114 601 1HG1 ILE 79 2HG1 ILE 79 6.503 0.642 8.486 602 2HG1 ILE 79 1HG1 ILE 79 6.269 -0.131 6.926 603 1HG2 ILE 79 1HG2 ILE 79 7.717 -3.410 7.877 604 2HG2 ILE 79 2HG2 ILE 79 7.001 -2.486 6.558 605 3HG2 ILE 79 3HG2 ILE 79 5.991 -3.042 7.893 606 1HD1 ILE 79 1HD1 ILE 79 4.718 -0.698 9.447 607 2HD1 ILE 79 2HD1 ILE 79 4.480 -1.502 7.898 608 3HD1 ILE 79 3HD1 ILE 79 4.157 0.224 8.052 609 H GLN 80 H GLN 80 7.005 -3.480 11.510 610 HA GLN 80 HA GLN 80 9.805 -4.351 11.296 611 1HB GLN 80 2HB GLN 80 9.112 -3.733 13.551 612 2HB GLN 80 1HB GLN 80 7.756 -4.840 13.464 613 1HG GLN 80 2HG GLN 80 9.285 -6.734 13.375 614 2HG GLN 80 1HG GLN 80 10.664 -5.640 13.419 615 1HE2 GLN 80 1HE2 GLN 80 11.430 -6.547 15.333 616 2HE2 GLN 80 2HE2 GLN 80 10.666 -6.255 16.845 617 H ALA 81 H ALA 81 6.476 -5.447 11.152 618 HA ALA 81 HA ALA 81 7.357 -8.157 10.600 619 1HB ALA 81 1HB ALA 81 5.004 -8.748 10.748 620 2HB ALA 81 2HB ALA 81 4.582 -7.040 10.899 621 3HB ALA 81 3HB ALA 81 5.515 -7.833 12.168 622 H MET 82 H MET 82 7.148 -9.142 8.688 623 HA MET 82 HA MET 82 6.376 -7.411 6.481 624 1HB MET 82 2HB MET 82 8.122 -9.841 6.387 625 2HB MET 82 1HB MET 82 7.831 -8.704 5.114 626 1HG MET 82 2HG MET 82 9.051 -6.973 6.188 627 2HG MET 82 1HG MET 82 9.173 -7.912 7.681 628 1HE MET 82 1HE MET 82 9.542 -9.322 4.069 629 2HE MET 82 2HE MET 82 11.279 -9.190 3.799 630 3HE MET 82 3HE MET 82 10.291 -7.729 3.907 631 HA PRO 83 HA PRO 83 5.409 -7.315 4.946 632 1HB PRO 83 2HB PRO 83 3.268 -7.281 3.351 633 2HB PRO 83 1HB PRO 83 4.700 -8.243 2.961 634 1HG PRO 83 2HG PRO 83 2.063 -9.123 4.005 635 2HG PRO 83 1HG PRO 83 3.189 -9.966 2.932 636 1HD PRO 83 2HD PRO 83 2.903 -10.322 5.726 637 2HD PRO 83 1HD PRO 83 4.167 -11.007 4.689 638 H THR 84 H THR 84 4.240 -5.283 5.340 639 HA THR 84 HA THR 84 1.805 -5.584 6.919 640 HB THR 84 HB THR 84 3.817 -3.429 7.040 641 HG1 THR 84 1HG THR 84 4.427 -5.407 8.175 642 1HG2 THR 84 1HG2 THR 84 1.602 -2.526 7.469 643 2HG2 THR 84 2HG2 THR 84 2.505 -2.544 8.981 644 3HG2 THR 84 3HG2 THR 84 1.292 -3.783 8.665 645 H PHE 85 H PHE 85 0.036 -4.766 5.986 646 HA PHE 85 HA PHE 85 0.382 -2.989 3.723 647 1HB PHE 85 2HB PHE 85 -1.960 -4.621 4.681 648 2HB PHE 85 1HB PHE 85 -1.932 -3.598 3.271 649 HD1 PHE 85 1HD PHE 85 -0.779 -4.279 1.250 650 HD2 PHE 85 2HD PHE 85 -0.838 -6.782 4.692 651 HE1 PHE 85 1HE PHE 85 -0.022 -6.169 -0.115 652 HE2 PHE 85 2HE PHE 85 -0.075 -8.679 3.328 653 HZ PHE 85 HZ PHE 85 0.332 -8.369 0.918 654 H MET 86 H MET 86 -0.126 -0.950 4.064 655 HA MET 86 HA MET 86 -1.611 -0.333 6.507 656 1HB MET 86 2HB MET 86 0.659 0.483 6.457 657 2HB MET 86 1HB MET 86 0.320 1.342 4.949 658 1HG MET 86 2HG MET 86 -1.276 2.766 6.135 659 2HG MET 86 1HG MET 86 -0.961 1.896 7.620 660 1HE MET 86 1HE MET 86 -0.747 5.018 7.371 661 2HE MET 86 2HE MET 86 0.738 5.307 8.289 662 3HE MET 86 3HE MET 86 -0.428 4.111 8.851 663 H PHE 87 H PHE 87 -3.583 0.343 6.238 664 HA PHE 87 HA PHE 87 -4.371 1.469 3.712 665 1HB PHE 87 2HB PHE 87 -5.790 0.040 5.931 666 2HB PHE 87 1HB PHE 87 -6.610 0.876 4.632 667 HD1 PHE 87 1HD PHE 87 -4.342 -1.942 5.421 668 HD2 PHE 87 2HD PHE 87 -6.890 -0.165 2.517 669 HE1 PHE 87 1HE PHE 87 -4.213 -3.983 4.059 670 HE2 PHE 87 2HE PHE 87 -6.761 -2.199 1.149 671 HZ PHE 87 HZ PHE 87 -5.423 -4.110 1.917 672 H LEU 88 H LEU 88 -4.575 3.615 3.788 673 HA LEU 88 HA LEU 88 -5.648 4.673 6.206 674 1HB LEU 88 2HB LEU 88 -4.124 6.656 6.148 675 2HB LEU 88 1HB LEU 88 -3.323 5.148 6.491 676 HG LEU 88 HG LEU 88 -3.234 6.477 3.773 677 1HD1 LEU 88 1HD1 LEU 88 -1.261 6.625 6.064 678 2HD1 LEU 88 2HD1 LEU 88 -2.262 7.950 5.483 679 3HD1 LEU 88 3HD1 LEU 88 -1.007 7.267 4.446 680 1HD2 LEU 88 1HD2 LEU 88 -2.680 4.059 3.828 681 2HD2 LEU 88 2HD2 LEU 88 -1.455 4.401 5.059 682 3HD2 LEU 88 3HD2 LEU 88 -1.272 5.050 3.441 683 H LYS 89 H LYS 89 -6.432 6.997 5.813 684 HA LYS 89 HA LYS 89 -7.523 7.232 3.101 685 1HB LYS 89 2HB LYS 89 -9.142 6.106 4.453 686 2HB LYS 89 1HB LYS 89 -8.996 7.324 5.711 687 1HG LYS 89 2HG LYS 89 -10.013 8.969 4.237 688 2HG LYS 89 1HG LYS 89 -10.112 7.765 2.943 689 1HD LYS 89 2HD LYS 89 -11.565 6.381 4.348 690 2HD LYS 89 1HD LYS 89 -11.461 7.578 5.640 691 1HE LYS 89 2HE LYS 89 -12.605 8.068 2.892 692 2HE LYS 89 1HE LYS 89 -13.541 7.715 4.335 693 1HZ LYS 89 1HZ LYS 89 -13.430 10.095 3.824 694 2HZ LYS 89 2HZ LYS 89 -11.766 10.124 4.097 695 3HZ LYS 89 3HZ LYS 89 -12.816 9.737 5.330 696 H GLU 90 H GLU 90 -7.104 9.099 2.321 697 HA GLU 90 HA GLU 90 -6.777 11.176 2.010 698 1HB GLU 90 2HB GLU 90 -7.919 11.532 4.751 699 2HB GLU 90 1HB GLU 90 -7.603 12.891 3.682 700 1HG GLU 90 2HG GLU 90 -9.264 12.127 2.139 701 2HG GLU 90 1HG GLU 90 -9.454 10.613 3.023 702 H GLY 91 H GLY 91 -4.908 9.433 3.547 703 1HA GLY 91 2HA GLY 91 -2.655 9.753 4.144 704 2HA GLY 91 1HA GLY 91 -3.010 11.444 4.467 705 H LYS 92 H LYS 92 -5.466 9.886 5.959 706 HA LYS 92 HA LYS 92 -3.970 9.775 8.451 707 1HB LYS 92 2HB LYS 92 -6.927 10.083 7.985 708 2HB LYS 92 1HB LYS 92 -6.173 9.935 9.568 709 1HG LYS 92 2HG LYS 92 -4.864 11.962 9.091 710 2HG LYS 92 1HG LYS 92 -5.744 12.134 7.572 711 1HD LYS 92 2HD LYS 92 -7.829 12.300 8.781 712 2HD LYS 92 1HD LYS 92 -6.986 12.076 10.315 713 1HE LYS 92 2HE LYS 92 -6.638 14.329 8.369 714 2HE LYS 92 1HE LYS 92 -7.460 14.410 9.932 715 1HZ LYS 92 1HZ LYS 92 -5.239 15.310 10.096 716 2HZ LYS 92 2HZ LYS 92 -4.563 13.939 9.466 717 3HZ LYS 92 3HZ LYS 92 -5.273 13.882 10.990 718 H ILE 93 H ILE 93 -4.031 8.005 9.722 719 HA ILE 93 HA ILE 93 -4.087 5.513 8.377 720 HB ILE 93 HB ILE 93 -3.934 6.059 11.354 721 1HG1 ILE 93 2HG1 ILE 93 -1.733 5.621 9.346 722 2HG1 ILE 93 1HG1 ILE 93 -2.180 7.197 9.949 723 1HG2 ILE 93 1HG2 ILE 93 -4.483 3.712 10.872 724 2HG2 ILE 93 2HG2 ILE 93 -2.836 3.849 11.487 725 3HG2 ILE 93 3HG2 ILE 93 -3.115 3.613 9.762 726 1HD1 ILE 93 1HD1 ILE 93 -1.548 6.471 12.218 727 2HD1 ILE 93 2HD1 ILE 93 -0.204 6.358 11.081 728 3HD1 ILE 93 3HD1 ILE 93 -1.082 4.904 11.562 729 H LEU 94 H LEU 94 -5.641 3.916 8.206 730 HA LEU 94 HA LEU 94 -8.010 4.201 9.870 731 1HB LEU 94 2HB LEU 94 -7.629 2.945 7.184 732 2HB LEU 94 1HB LEU 94 -9.046 2.679 8.162 733 HG LEU 94 HG LEU 94 -8.157 5.292 6.937 734 1HD1 LEU 94 1HD1 LEU 94 -10.265 5.050 5.683 735 2HD1 LEU 94 2HD1 LEU 94 -10.482 3.453 6.392 736 3HD1 LEU 94 3HD1 LEU 94 -9.109 3.771 5.331 737 1HD2 LEU 94 1HD2 LEU 94 -9.201 5.689 9.116 738 2HD2 LEU 94 2HD2 LEU 94 -10.570 4.683 8.644 739 3HD2 LEU 94 3HD2 LEU 94 -10.259 6.195 7.797 740 H ASP 95 H ASP 95 -6.206 1.634 8.146 741 HA ASP 95 HA ASP 95 -6.139 0.113 10.548 742 1HB ASP 95 2HB ASP 95 -7.148 -1.858 9.361 743 2HB ASP 95 1HB ASP 95 -8.265 -0.658 10.017 744 H LYS 96 H LYS 96 -5.034 -1.888 10.397 745 HA LYS 96 HA LYS 96 -2.881 -1.851 8.375 746 1HB LYS 96 2HB LYS 96 -2.821 -2.664 11.272 747 2HB LYS 96 1HB LYS 96 -1.501 -2.865 10.146 748 1HG LYS 96 2HG LYS 96 -2.666 -0.225 10.981 749 2HG LYS 96 1HG LYS 96 -1.237 -0.982 11.684 750 1HD LYS 96 2HD LYS 96 -0.201 -0.966 9.428 751 2HD LYS 96 1HD LYS 96 -1.595 -0.044 8.847 752 1HE LYS 96 2HE LYS 96 0.275 1.426 9.402 753 2HE LYS 96 1HE LYS 96 -1.107 1.719 10.457 754 1HZ LYS 96 1HZ LYS 96 0.995 1.643 11.691 755 2HZ LYS 96 2HZ LYS 96 1.276 0.080 11.183 756 3HZ LYS 96 3HZ LYS 96 -0.015 0.397 12.185 757 H VAL 97 H VAL 97 -2.371 -3.821 7.497 758 HA VAL 97 HA VAL 97 -3.563 -6.202 8.736 759 HB VAL 97 HB VAL 97 -2.729 -5.910 5.821 760 1HG1 VAL 97 1HG1 VAL 97 -2.468 -8.172 6.647 761 2HG1 VAL 97 2HG1 VAL 97 -3.800 -8.085 5.493 762 3HG1 VAL 97 3HG1 VAL 97 -4.134 -8.172 7.224 763 1HG2 VAL 97 1HG2 VAL 97 -5.111 -6.025 5.265 764 2HG2 VAL 97 2HG2 VAL 97 -4.752 -4.609 6.257 765 3HG2 VAL 97 3HG2 VAL 97 -5.511 -6.027 6.982 766 H VAL 98 H VAL 98 -2.036 -7.351 9.715 767 HA VAL 98 HA VAL 98 0.695 -6.977 8.797 768 HB VAL 98 HB VAL 98 0.314 -6.132 11.035 769 1HG1 VAL 98 1HG1 VAL 98 -1.533 -7.471 11.768 770 2HG1 VAL 98 2HG1 VAL 98 -0.214 -7.575 12.932 771 3HG1 VAL 98 3HG1 VAL 98 -0.512 -8.910 11.819 772 1HG2 VAL 98 1HG2 VAL 98 2.498 -7.016 10.552 773 2HG2 VAL 98 2HG2 VAL 98 1.987 -8.631 11.041 774 3HG2 VAL 98 3HG2 VAL 98 2.092 -7.337 12.238 775 H GLY 99 H GLY 99 1.605 -8.583 7.791 776 1HA GLY 99 2HA GLY 99 2.301 -10.801 7.524 777 2HA GLY 99 1HA GLY 99 1.004 -11.315 8.585 778 H ALA 100 H ALA 100 1.695 -12.205 5.798 779 HA ALA 100 HA ALA 100 -0.428 -11.097 4.207 780 1HB ALA 100 1HB ALA 100 0.319 -12.664 2.503 781 2HB ALA 100 2HB ALA 100 1.382 -13.448 3.669 782 3HB ALA 100 3HB ALA 100 1.688 -11.782 3.179 783 H LYS 101 H LYS 101 -2.367 -11.562 4.878 784 HA LYS 101 HA LYS 101 -3.121 -14.357 4.898 785 1HB LYS 101 2HB LYS 101 -4.270 -12.047 6.403 786 2HB LYS 101 1HB LYS 101 -5.037 -13.629 6.262 787 1HG LYS 101 2HG LYS 101 -3.149 -14.623 7.430 788 2HG LYS 101 1HG LYS 101 -2.375 -13.028 7.536 789 1HD LYS 101 2HD LYS 101 -3.374 -13.655 9.530 790 2HD LYS 101 1HD LYS 101 -4.276 -12.300 8.809 791 1HE LYS 101 2HE LYS 101 -5.960 -14.003 7.984 792 2HE LYS 101 1HE LYS 101 -5.062 -15.229 8.858 793 1HZ LYS 101 1HZ LYS 101 -6.516 -12.918 10.062 794 2HZ LYS 101 2HZ LYS 101 -5.519 -13.944 10.925 795 3HZ LYS 101 3HZ LYS 101 -6.891 -14.553 10.198 796 H LYS 102 H LYS 102 -4.154 -14.613 2.886 797 HA LYS 102 HA LYS 102 -5.044 -12.375 1.479 798 1HB LYS 102 2HB LYS 102 -4.324 -14.483 0.407 799 2HB LYS 102 1HB LYS 102 -5.747 -15.265 1.086 800 1HG LYS 102 2HG LYS 102 -7.174 -13.777 -0.153 801 2HG LYS 102 1HG LYS 102 -5.749 -12.984 -0.839 802 1HD LYS 102 2HD LYS 102 -5.092 -15.113 -1.890 803 2HD LYS 102 1HD LYS 102 -6.532 -15.880 -1.221 804 1HE LYS 102 2HE LYS 102 -7.936 -14.287 -2.471 805 2HE LYS 102 1HE LYS 102 -6.482 -13.585 -3.175 806 1HZ LYS 102 1HZ LYS 102 -7.520 -15.151 -4.657 807 2HZ LYS 102 2HZ LYS 102 -7.421 -16.371 -3.513 808 3HZ LYS 102 3HZ LYS 102 -6.001 -15.737 -4.194 809 H ASP 103 H ASP 103 -6.616 -14.755 3.498 810 HA ASP 103 HA ASP 103 -9.307 -14.058 3.047 811 1HB ASP 103 2HB ASP 103 -9.814 -15.286 5.103 812 2HB ASP 103 1HB ASP 103 -8.586 -16.153 4.194 813 H GLU 104 H GLU 104 -6.943 -12.856 5.341 814 HA GLU 104 HA GLU 104 -8.784 -11.211 6.797 815 1HB GLU 104 2HB GLU 104 -6.509 -12.146 7.576 816 2HB GLU 104 1HB GLU 104 -5.812 -10.846 6.622 817 1HG GLU 104 2HG GLU 104 -5.897 -10.233 8.942 818 2HG GLU 104 1HG GLU 104 -7.000 -9.219 8.003 819 H LEU 105 H LEU 105 -6.560 -10.799 4.147 820 HA LEU 105 HA LEU 105 -6.715 -8.031 3.846 821 1HB LEU 105 2HB LEU 105 -5.192 -9.659 2.688 822 2HB LEU 105 1HB LEU 105 -6.535 -10.109 1.715 823 HG LEU 105 HG LEU 105 -6.765 -7.893 0.783 824 1HD1 LEU 105 1HD1 LEU 105 -4.287 -7.217 2.381 825 2HD1 LEU 105 2HD1 LEU 105 -5.904 -6.539 2.606 826 3HD1 LEU 105 3HD1 LEU 105 -4.999 -6.198 1.134 827 1HD2 LEU 105 1HD2 LEU 105 -3.972 -8.999 0.537 828 2HD2 LEU 105 2HD2 LEU 105 -4.731 -7.883 -0.595 829 3HD2 LEU 105 3HD2 LEU 105 -5.384 -9.509 -0.386 830 H GLN 106 H GLN 106 -8.553 -10.662 2.534 831 HA GLN 106 HA GLN 106 -10.387 -9.148 0.941 832 1HB GLN 106 2HB GLN 106 -11.137 -11.721 2.358 833 2HB GLN 106 1HB GLN 106 -11.912 -11.040 0.946 834 1HG GLN 106 2HG GLN 106 -9.210 -12.340 1.128 835 2HG GLN 106 1HG GLN 106 -10.636 -12.917 0.275 836 1HE2 GLN 106 1HE2 GLN 106 -7.961 -10.807 0.262 837 2HE2 GLN 106 2HE2 GLN 106 -8.096 -10.275 -1.383 838 H SER 107 H SER 107 -10.453 -10.104 4.291 839 HA SER 107 HA SER 107 -13.034 -9.100 4.850 840 1HB SER 107 2HB SER 107 -10.679 -9.589 6.675 841 2HB SER 107 1HB SER 107 -12.355 -9.366 7.194 842 HG SER 107 HG SER 107 -11.243 -11.533 5.707 843 H THR 108 H THR 108 -9.786 -7.769 5.030 844 HA THR 108 HA THR 108 -10.462 -5.307 6.167 845 HB THR 108 HB THR 108 -8.148 -6.098 4.385 846 HG1 THR 108 1HG THR 108 -8.594 -7.043 6.624 847 1HG2 THR 108 1HG2 THR 108 -8.439 -3.659 4.381 848 2HG2 THR 108 2HG2 THR 108 -7.002 -4.109 5.301 849 3HG2 THR 108 3HG2 THR 108 -8.484 -3.650 6.143 850 H ILE 109 H ILE 109 -10.319 -6.414 2.778 851 HA ILE 109 HA ILE 109 -10.826 -3.909 1.618 852 HB ILE 109 HB ILE 109 -11.555 -6.680 0.621 853 1HG1 ILE 109 2HG1 ILE 109 -9.179 -4.924 -0.038 854 2HG1 ILE 109 1HG1 ILE 109 -9.142 -6.309 1.041 855 1HG2 ILE 109 1HG2 ILE 109 -12.869 -4.956 -0.537 856 2HG2 ILE 109 2HG2 ILE 109 -11.665 -5.652 -1.625 857 3HG2 ILE 109 3HG2 ILE 109 -11.390 -4.066 -0.907 858 1HD1 ILE 109 1HD1 ILE 109 -9.768 -6.371 -1.898 859 2HD1 ILE 109 2HD1 ILE 109 -9.696 -7.774 -0.831 860 3HD1 ILE 109 3HD1 ILE 109 -8.238 -6.826 -1.154 861 H ALA 110 H ALA 110 -12.992 -6.485 2.729 862 HA ALA 110 HA ALA 110 -15.397 -5.162 2.023 863 1HB ALA 110 1HB ALA 110 -16.521 -6.824 3.408 864 2HB ALA 110 2HB ALA 110 -14.984 -7.280 4.140 865 3HB ALA 110 3HB ALA 110 -15.274 -7.597 2.431 866 H LYS 111 H LYS 111 -13.383 -5.057 4.847 867 HA LYS 111 HA LYS 111 -15.025 -3.656 6.650 868 1HB LYS 111 2HB LYS 111 -12.757 -4.716 7.035 869 2HB LYS 111 1HB LYS 111 -12.153 -3.328 6.183 870 1HG LYS 111 2HG LYS 111 -12.941 -1.784 7.863 871 2HG LYS 111 1HG LYS 111 -13.683 -3.107 8.761 872 1HD LYS 111 2HD LYS 111 -10.720 -2.824 8.223 873 2HD LYS 111 1HD LYS 111 -11.512 -2.366 9.726 874 1HE LYS 111 2HE LYS 111 -11.403 -5.163 8.560 875 2HE LYS 111 1HE LYS 111 -10.429 -4.565 9.892 876 1HZ LYS 111 1HZ LYS 111 -12.305 -5.824 10.711 877 2HZ LYS 111 2HZ LYS 111 -13.386 -4.856 9.895 878 3HZ LYS 111 3HZ LYS 111 -12.497 -4.220 11.168 879 H HIS 112 H HIS 112 -12.823 -2.617 4.155 880 HA HIS 112 HA HIS 112 -13.261 0.146 4.545 881 1HB HIS 112 2HB HIS 112 -11.939 -1.430 2.393 882 2HB HIS 112 1HB HIS 112 -12.219 0.290 2.208 883 HD1 HIS 112 1HD HIS 112 -10.678 1.850 3.474 884 HD2 HIS 112 2HD HIS 112 -10.119 -2.125 4.477 885 HE1 HIS 112 1HE HIS 112 -8.560 1.780 4.822 886 HE2 HIS 112 2HE HIS 112 -8.543 -0.576 5.728 887 H LEU 113 H LEU 113 -14.824 -2.288 2.397 888 HA LEU 113 HA LEU 113 -16.207 -0.408 0.942 889 1HB LEU 113 2HB LEU 113 -16.489 -3.294 1.497 890 2HB LEU 113 1HB LEU 113 -17.437 -2.429 0.333 891 HG LEU 113 HG LEU 113 -14.546 -2.887 0.298 892 1HD1 LEU 113 1HD1 LEU 113 -15.823 -4.841 -0.328 893 2HD1 LEU 113 2HD1 LEU 113 -15.047 -4.185 -1.777 894 3HD1 LEU 113 3HD1 LEU 113 -16.763 -3.881 -1.472 895 1HD2 LEU 113 1HD2 LEU 113 -14.547 -1.818 -1.955 896 2HD2 LEU 113 2HD2 LEU 113 -14.925 -0.708 -0.644 897 3HD2 LEU 113 3HD2 LEU 113 -16.219 -1.336 -1.669 898 H ALA 114 H ALA 114 -18.663 -0.687 0.933 899 HA ALA 114 HA ALA 114 -19.980 -1.318 3.359 900 1HB ALA 114 1HB ALA 114 -19.860 1.586 2.493 901 2HB ALA 114 2HB ALA 114 -19.123 0.920 3.950 902 3HB ALA 114 3HB ALA 114 -20.876 0.933 3.779 Start of MODEL 19 1 H MET 1 H MET 1 -9.685 7.555 -20.558 2 HA MET 1 HA MET 1 -7.958 6.190 -18.713 3 1HB MET 1 2HB MET 1 -8.892 5.017 -20.641 4 2HB MET 1 1HB MET 1 -8.071 6.121 -21.731 5 1HG MET 1 2HG MET 1 -5.913 5.319 -20.899 6 2HG MET 1 1HG MET 1 -6.752 4.184 -19.844 7 1HE MET 1 1HE MET 1 -8.254 2.151 -20.756 8 2HE MET 1 2HE MET 1 -8.480 1.816 -22.472 9 3HE MET 1 3HE MET 1 -9.181 3.266 -21.763 10 H ALA 2 H ALA 2 -6.396 7.363 -17.870 11 HA ALA 2 HA ALA 2 -4.473 8.601 -19.649 12 1HB ALA 2 1HB ALA 2 -5.955 10.436 -18.983 13 2HB ALA 2 2HB ALA 2 -4.373 10.616 -18.221 14 3HB ALA 2 3HB ALA 2 -5.737 10.009 -17.286 15 H SER 3 H SER 3 -2.620 9.440 -17.957 16 HA SER 3 HA SER 3 -1.717 7.105 -16.716 17 1HB SER 3 2HB SER 3 0.138 8.716 -15.944 18 2HB SER 3 1HB SER 3 -0.075 8.483 -17.682 19 HG SER 3 HG SER 3 -0.142 10.744 -16.367 20 H GLU 4 H GLU 4 -3.252 6.527 -15.238 21 HA GLU 4 HA GLU 4 -2.985 7.377 -12.571 22 1HB GLU 4 2HB GLU 4 -4.354 9.236 -13.492 23 2HB GLU 4 1HB GLU 4 -5.532 8.083 -14.065 24 1HG GLU 4 2HG GLU 4 -6.261 9.217 -12.013 25 2HG GLU 4 1HG GLU 4 -6.116 7.475 -11.798 26 H GLU 5 H GLU 5 -4.391 5.988 -11.244 27 HA GLU 5 HA GLU 5 -5.180 4.025 -10.530 28 1HB GLU 5 2HB GLU 5 -7.157 3.076 -11.560 29 2HB GLU 5 1HB GLU 5 -7.277 4.829 -11.472 30 1HG GLU 5 2HG GLU 5 -6.722 4.927 -13.865 31 2HG GLU 5 1HG GLU 5 -6.650 3.171 -13.908 32 H GLY 6 H GLY 6 -5.407 1.685 -10.678 33 1HA GLY 6 2HA GLY 6 -4.826 -0.381 -11.393 34 2HA GLY 6 1HA GLY 6 -4.510 0.291 -12.994 35 H GLN 7 H GLN 7 -2.905 1.712 -10.330 36 HA GLN 7 HA GLN 7 -0.584 0.127 -11.010 37 1HB GLN 7 2HB GLN 7 0.803 2.138 -11.033 38 2HB GLN 7 1HB GLN 7 -0.283 1.928 -12.390 39 1HG GLN 7 2HG GLN 7 -1.825 3.583 -11.365 40 2HG GLN 7 1HG GLN 7 -0.704 3.763 -10.017 41 1HE2 GLN 7 1HE2 GLN 7 -0.438 5.944 -10.424 42 2HE2 GLN 7 2HE2 GLN 7 0.487 6.517 -11.762 43 H VAL 8 H VAL 8 0.902 -0.072 -9.663 44 HA VAL 8 HA VAL 8 0.606 1.046 -7.004 45 HB VAL 8 HB VAL 8 0.295 -1.365 -7.206 46 1HG1 VAL 8 1HG1 VAL 8 2.174 -2.919 -7.633 47 2HG1 VAL 8 2HG1 VAL 8 3.130 -1.537 -8.171 48 3HG1 VAL 8 3HG1 VAL 8 1.663 -1.985 -9.039 49 1HG2 VAL 8 1HG2 VAL 8 1.080 -0.496 -5.100 50 2HG2 VAL 8 2HG2 VAL 8 2.755 -0.585 -5.649 51 3HG2 VAL 8 3HG2 VAL 8 1.834 -2.066 -5.381 52 H ILE 9 H ILE 9 2.132 2.515 -6.569 53 HA ILE 9 HA ILE 9 4.311 2.659 -8.455 54 HB ILE 9 HB ILE 9 3.408 4.689 -6.398 55 1HG1 ILE 9 2HG1 ILE 9 3.076 4.517 -9.403 56 2HG1 ILE 9 1HG1 ILE 9 1.813 4.303 -8.204 57 1HG2 ILE 9 1HG2 ILE 9 4.929 6.245 -7.556 58 2HG2 ILE 9 2HG2 ILE 9 5.483 4.934 -8.599 59 3HG2 ILE 9 3HG2 ILE 9 5.824 4.889 -6.867 60 1HD1 ILE 9 1HD1 ILE 9 3.323 6.823 -8.803 61 2HD1 ILE 9 2HD1 ILE 9 2.143 6.643 -7.520 62 3HD1 ILE 9 3HD1 ILE 9 1.641 6.472 -9.208 63 H ALA 10 H ALA 10 6.077 1.778 -8.076 64 HA ALA 10 HA ALA 10 6.831 0.883 -5.442 65 1HB ALA 10 1HB ALA 10 7.122 -0.598 -7.357 66 2HB ALA 10 2HB ALA 10 8.685 -0.217 -6.626 67 3HB ALA 10 3HB ALA 10 8.189 0.582 -8.113 68 H CYS 11 H CYS 11 7.788 2.294 -4.107 69 HA CYS 11 HA CYS 11 9.281 4.469 -5.203 70 1HB CYS 11 2HB CYS 11 8.906 3.700 -2.321 71 2HB CYS 11 1HB CYS 11 9.375 5.227 -2.996 72 HG CYS 11 HG CYS 11 6.370 4.163 -4.066 73 H HIS 12 H HIS 12 11.370 4.325 -5.522 74 HA HIS 12 HA HIS 12 12.906 2.238 -4.157 75 1HB HIS 12 2HB HIS 12 13.603 3.884 -6.615 76 2HB HIS 12 1HB HIS 12 14.637 2.681 -5.871 77 HD1 HIS 12 1HD HIS 12 14.000 0.224 -6.189 78 HD2 HIS 12 2HD HIS 12 11.570 2.874 -8.249 79 HE1 HIS 12 1HE HIS 12 12.771 -1.177 -7.900 80 HE2 HIS 12 2HE HIS 12 11.619 0.526 -9.330 81 H THR 13 H THR 13 12.020 5.375 -3.847 82 HA THR 13 HA THR 13 14.437 6.104 -2.421 83 HB THR 13 HB THR 13 14.275 8.404 -3.405 84 HG1 THR 13 1HG THR 13 13.117 7.883 -5.701 85 1HG2 THR 13 1HG2 THR 13 15.379 7.884 -5.543 86 2HG2 THR 13 2HG2 THR 13 14.814 6.218 -5.430 87 3HG2 THR 13 3HG2 THR 13 15.976 6.840 -4.254 88 H VAL 14 H VAL 14 13.979 7.987 -1.036 89 HA VAL 14 HA VAL 14 11.377 7.840 0.153 90 HB VAL 14 HB VAL 14 13.561 9.871 0.598 91 1HG1 VAL 14 1HG1 VAL 14 11.214 9.118 2.347 92 2HG1 VAL 14 2HG1 VAL 14 11.390 10.611 1.431 93 3HG1 VAL 14 3HG1 VAL 14 12.481 10.272 2.777 94 1HG2 VAL 14 1HG2 VAL 14 14.397 7.633 1.065 95 2HG2 VAL 14 2HG2 VAL 14 13.010 7.339 2.123 96 3HG2 VAL 14 3HG2 VAL 14 14.207 8.559 2.555 97 H GLU 15 H GLU 15 12.981 9.722 -2.235 98 HA GLU 15 HA GLU 15 11.473 12.041 -2.295 99 1HB GLU 15 2HB GLU 15 13.543 11.629 -3.573 100 2HB GLU 15 1HB GLU 15 12.660 10.536 -4.615 101 1HG GLU 15 2HG GLU 15 11.229 12.365 -5.343 102 2HG GLU 15 1HG GLU 15 12.120 13.469 -4.300 103 H THR 16 H THR 16 11.000 9.040 -4.146 104 HA THR 16 HA THR 16 8.582 9.767 -5.394 105 HB THR 16 HB THR 16 9.489 6.986 -4.589 106 HG1 THR 16 1HG THR 16 10.276 8.786 -6.556 107 1HG2 THR 16 1HG2 THR 16 8.150 6.246 -6.516 108 2HG2 THR 16 2HG2 THR 16 7.667 7.911 -6.818 109 3HG2 THR 16 3HG2 THR 16 7.139 7.099 -5.345 110 H TRP 17 H TRP 17 9.238 8.081 -2.375 111 HA TRP 17 HA TRP 17 6.649 7.477 -1.554 112 1HB TRP 17 2HB TRP 17 8.583 6.472 -0.521 113 2HB TRP 17 1HB TRP 17 9.198 8.039 -0.054 114 HD1 TRP 17 HD TRP 17 8.987 8.441 2.424 115 HE1 TRP 17 1HE TRP 17 7.385 7.773 4.284 116 HE3 TRP 17 3HE TRP 17 5.655 5.746 -0.344 117 HZ2 TRP 17 2HZ TRP 17 4.990 6.287 4.565 118 HZ3 TRP 17 3HZ TRP 17 3.729 4.745 0.800 119 HH2 TRP 17 HH TRP 17 3.406 5.010 3.204 120 H ASN 18 H ASN 18 8.671 10.231 -0.656 121 HA ASN 18 HA ASN 18 6.823 11.609 0.952 122 1HB ASN 18 2HB ASN 18 9.262 11.981 0.951 123 2HB ASN 18 1HB ASN 18 9.143 12.667 -0.659 124 1HD2 ASN 18 1HD2 ASN 18 9.952 14.617 -0.050 125 2HD2 ASN 18 2HD2 ASN 18 9.100 15.734 0.936 126 H GLU 19 H GLU 19 7.649 11.843 -2.455 127 HA GLU 19 HA GLU 19 6.280 14.100 -3.281 128 1HB GLU 19 2HB GLU 19 7.882 12.768 -4.629 129 2HB GLU 19 1HB GLU 19 6.683 11.502 -4.771 130 1HG GLU 19 2HG GLU 19 5.225 13.080 -5.972 131 2HG GLU 19 1HG GLU 19 6.518 14.281 -5.906 132 H GLN 20 H GLN 20 5.123 10.692 -3.122 133 HA GLN 20 HA GLN 20 2.656 11.381 -4.160 134 1HB GLN 20 2HB GLN 20 3.840 9.033 -2.937 135 2HB GLN 20 1HB GLN 20 2.173 9.030 -3.490 136 1HG GLN 20 2HG GLN 20 4.685 9.481 -5.136 137 2HG GLN 20 1HG GLN 20 3.649 8.061 -5.209 138 1HE2 GLN 20 1HE2 GLN 20 3.338 8.344 -7.411 139 2HE2 GLN 20 2HE2 GLN 20 2.312 9.577 -8.055 140 H LEU 21 H LEU 21 3.844 10.886 -0.822 141 HA LEU 21 HA LEU 21 1.365 10.788 0.354 142 1HB LEU 21 2HB LEU 21 4.012 11.719 1.193 143 2HB LEU 21 1HB LEU 21 2.662 11.607 2.286 144 HG LEU 21 HG LEU 21 4.092 9.343 0.883 145 1HD1 LEU 21 1HD1 LEU 21 5.296 10.289 2.766 146 2HD1 LEU 21 2HD1 LEU 21 4.709 8.672 3.143 147 3HD1 LEU 21 3HD1 LEU 21 3.878 10.087 3.795 148 1HD2 LEU 21 1HD2 LEU 21 1.693 8.842 1.032 149 2HD2 LEU 21 2HD2 LEU 21 1.716 9.221 2.751 150 3HD2 LEU 21 3HD2 LEU 21 2.618 7.835 2.145 151 H GLN 22 H GLN 22 3.505 13.518 -0.309 152 HA GLN 22 HA GLN 22 1.771 15.337 0.890 153 1HB GLN 22 2HB GLN 22 3.057 17.131 -0.258 154 2HB GLN 22 1HB GLN 22 4.073 15.989 0.597 155 1HG GLN 22 2HG GLN 22 4.535 14.870 -1.562 156 2HG GLN 22 1HG GLN 22 3.603 16.129 -2.368 157 1HE2 GLN 22 1HE2 GLN 22 5.384 16.853 -3.528 158 2HE2 GLN 22 2HE2 GLN 22 6.681 17.707 -2.788 159 H LYS 23 H LYS 23 1.849 13.978 -2.298 160 HA LYS 23 HA LYS 23 -0.089 15.705 -3.441 161 1HB LYS 23 2HB LYS 23 1.309 14.285 -4.866 162 2HB LYS 23 1HB LYS 23 0.608 12.841 -4.149 163 1HG LYS 23 2HG LYS 23 -1.597 13.504 -5.037 164 2HG LYS 23 1HG LYS 23 -0.845 14.891 -5.816 165 1HD LYS 23 2HD LYS 23 0.547 13.375 -7.158 166 2HD LYS 23 1HD LYS 23 -0.188 11.989 -6.351 167 1HE LYS 23 2HE LYS 23 -2.391 12.676 -7.206 168 2HE LYS 23 1HE LYS 23 -1.636 14.031 -8.032 169 1HZ LYS 23 1HZ LYS 23 -2.011 12.208 -9.535 170 2HZ LYS 23 2HZ LYS 23 -1.119 11.155 -8.581 171 3HZ LYS 23 3HZ LYS 23 -0.350 12.433 -9.354 172 H ALA 24 H ALA 24 -0.297 12.479 -1.847 173 HA ALA 24 HA ALA 24 -3.037 12.099 -2.227 174 1HB ALA 24 1HB ALA 24 -1.480 10.313 -1.586 175 2HB ALA 24 2HB ALA 24 -2.858 10.400 -0.488 176 3HB ALA 24 3HB ALA 24 -1.295 11.055 0.003 177 H ASN 25 H ASN 25 -1.276 13.722 0.275 178 HA ASN 25 HA ASN 25 -3.391 14.132 2.142 179 1HB ASN 25 2HB ASN 25 -0.878 14.449 2.498 180 2HB ASN 25 1HB ASN 25 -1.053 15.896 1.587 181 1HD2 ASN 25 1HD2 ASN 25 -0.347 17.146 3.332 182 2HD2 ASN 25 2HD2 ASN 25 -1.409 17.544 4.631 183 H GLU 26 H GLU 26 -1.891 16.188 -0.192 184 HA GLU 26 HA GLU 26 -3.563 18.454 0.092 185 1HB GLU 26 2HB GLU 26 -1.317 18.570 -0.895 186 2HB GLU 26 1HB GLU 26 -1.840 17.598 -2.246 187 1HG GLU 26 2HG GLU 26 -2.914 20.361 -1.666 188 2HG GLU 26 1HG GLU 26 -1.532 20.055 -2.701 189 H SER 27 H SER 27 -3.732 15.775 -2.272 190 HA SER 27 HA SER 27 -6.044 16.966 -3.447 191 1HB SER 27 2HB SER 27 -4.641 14.372 -3.987 192 2HB SER 27 1HB SER 27 -5.916 15.063 -4.990 193 HG SER 27 HG SER 27 -3.987 16.915 -4.568 194 H LYS 28 H LYS 28 -5.567 15.190 -0.707 195 HA LYS 28 HA LYS 28 -6.829 13.979 0.691 196 1HB LYS 28 2HB LYS 28 -8.994 15.186 -0.913 197 2HB LYS 28 1HB LYS 28 -9.295 14.355 0.612 198 1HG LYS 28 2HG LYS 28 -7.764 16.035 1.691 199 2HG LYS 28 1HG LYS 28 -7.743 16.905 0.161 200 1HD LYS 28 2HD LYS 28 -10.205 16.289 1.789 201 2HD LYS 28 1HD LYS 28 -9.369 17.841 1.754 202 1HE LYS 28 2HE LYS 28 -9.870 18.058 -0.622 203 2HE LYS 28 1HE LYS 28 -10.655 16.480 -0.617 204 1HZ LYS 28 1HZ LYS 28 -12.305 17.312 0.885 205 2HZ LYS 28 2HZ LYS 28 -12.218 18.338 -0.466 206 3HZ LYS 28 3HZ LYS 28 -11.524 18.809 0.990 207 H THR 29 H THR 29 -5.883 12.733 -1.617 208 HA THR 29 HA THR 29 -7.898 10.946 -2.600 209 HB THR 29 HB THR 29 -4.947 10.779 -2.933 210 HG1 THR 29 1HG THR 29 -6.943 12.377 -4.184 211 1HG2 THR 29 1HG2 THR 29 -6.168 8.816 -3.697 212 2HG2 THR 29 2HG2 THR 29 -5.517 9.677 -5.089 213 3HG2 THR 29 3HG2 THR 29 -7.226 9.827 -4.680 214 H LEU 30 H LEU 30 -7.943 8.865 -2.173 215 HA LEU 30 HA LEU 30 -7.088 8.087 0.426 216 1HB LEU 30 2HB LEU 30 -9.373 7.596 -0.498 217 2HB LEU 30 1HB LEU 30 -8.656 6.532 -1.671 218 HG LEU 30 HG LEU 30 -8.729 6.032 1.326 219 1HD1 LEU 30 1HD1 LEU 30 -10.438 4.395 0.811 220 2HD1 LEU 30 2HD1 LEU 30 -10.383 4.856 -0.889 221 3HD1 LEU 30 3HD1 LEU 30 -10.937 6.012 0.319 222 1HD2 LEU 30 1HD2 LEU 30 -7.998 4.166 -0.940 223 2HD2 LEU 30 2HD2 LEU 30 -8.073 3.749 0.770 224 3HD2 LEU 30 3HD2 LEU 30 -6.852 4.883 0.188 225 H VAL 31 H VAL 31 -5.286 6.668 0.748 226 HA VAL 31 HA VAL 31 -4.008 5.624 -1.638 227 HB VAL 31 HB VAL 31 -2.921 7.719 -1.037 228 1HG1 VAL 31 1HG1 VAL 31 -1.765 8.051 1.080 229 2HG1 VAL 31 2HG1 VAL 31 -2.398 6.510 1.645 230 3HG1 VAL 31 3HG1 VAL 31 -3.509 7.838 1.308 231 1HG2 VAL 31 1HG2 VAL 31 -1.488 5.986 -1.925 232 2HG2 VAL 31 2HG2 VAL 31 -1.218 5.346 -0.303 233 3HG2 VAL 31 3HG2 VAL 31 -0.608 6.947 -0.733 234 H VAL 32 H VAL 32 -2.987 3.660 -1.392 235 HA VAL 32 HA VAL 32 -3.066 2.468 1.285 236 HB VAL 32 HB VAL 32 -3.644 1.050 -1.291 237 1HG1 VAL 32 1HG1 VAL 32 -3.658 0.003 1.553 238 2HG1 VAL 32 2HG1 VAL 32 -2.476 -0.394 0.311 239 3HG1 VAL 32 3HG1 VAL 32 -4.153 -0.928 0.135 240 1HG2 VAL 32 1HG2 VAL 32 -5.925 0.697 -0.403 241 2HG2 VAL 32 2HG2 VAL 32 -5.542 2.409 -0.606 242 3HG2 VAL 32 3HG2 VAL 32 -5.505 1.681 0.998 243 H VAL 33 H VAL 33 -1.215 1.603 1.934 244 HA VAL 33 HA VAL 33 0.959 1.494 -0.045 245 HB VAL 33 HB VAL 33 1.152 2.312 2.862 246 1HG1 VAL 33 1HG1 VAL 33 3.154 1.173 2.109 247 2HG1 VAL 33 2HG1 VAL 33 3.477 2.893 2.329 248 3HG1 VAL 33 3HG1 VAL 33 3.255 2.237 0.708 249 1HG2 VAL 33 1HG2 VAL 33 0.067 4.033 1.519 250 2HG2 VAL 33 2HG2 VAL 33 1.384 3.976 0.350 251 3HG2 VAL 33 3HG2 VAL 33 1.686 4.552 1.991 252 H ASP 34 H ASP 34 2.100 -0.333 -0.121 253 HA ASP 34 HA ASP 34 1.734 -2.312 2.014 254 1HB ASP 34 2HB ASP 34 0.791 -3.174 -0.018 255 2HB ASP 34 1HB ASP 34 2.204 -2.685 -0.945 256 H PHE 35 H PHE 35 3.457 -2.861 3.148 257 HA PHE 35 HA PHE 35 6.067 -1.998 2.235 258 1HB PHE 35 2HB PHE 35 5.149 -2.993 4.951 259 2HB PHE 35 1HB PHE 35 6.733 -2.413 4.519 260 HD1 PHE 35 1HD PHE 35 7.208 -0.063 4.243 261 HD2 PHE 35 2HD PHE 35 3.276 -1.397 5.185 262 HE1 PHE 35 1HE PHE 35 6.571 2.240 4.832 263 HE2 PHE 35 2HE PHE 35 2.633 0.906 5.771 264 HZ PHE 35 HZ PHE 35 4.282 2.727 5.594 265 H THR 36 H THR 36 7.340 -3.466 1.383 266 HA THR 36 HA THR 36 7.156 -6.260 2.047 267 HB THR 36 HB THR 36 5.393 -5.992 0.393 268 HG1 THR 36 1HG THR 36 5.933 -7.689 -0.517 269 1HG2 THR 36 1HG2 THR 36 6.126 -3.955 -0.674 270 2HG2 THR 36 2HG2 THR 36 5.858 -5.214 -1.881 271 3HG2 THR 36 3HG2 THR 36 7.501 -4.801 -1.389 272 H ALA 37 H ALA 37 8.931 -7.359 0.856 273 HA ALA 37 HA ALA 37 11.093 -5.477 0.160 274 1HB ALA 37 1HB ALA 37 11.316 -6.105 2.578 275 2HB ALA 37 2HB ALA 37 12.685 -6.523 1.564 276 3HB ALA 37 3HB ALA 37 11.547 -7.767 2.041 277 H SER 38 H SER 38 12.664 -6.246 -1.168 278 HA SER 38 HA SER 38 12.066 -8.466 -2.793 279 1HB SER 38 2HB SER 38 13.369 -6.498 -3.566 280 2HB SER 38 1HB SER 38 14.676 -6.942 -2.476 281 HG SER 38 HG SER 38 15.197 -7.720 -4.426 282 H TRP 39 H TRP 39 13.662 -8.177 0.269 283 HA TRP 39 HA TRP 39 14.847 -10.839 0.054 284 1HB TRP 39 2HB TRP 39 15.919 -10.314 2.272 285 2HB TRP 39 1HB TRP 39 16.328 -9.171 1.019 286 HD1 TRP 39 HD TRP 39 15.519 -6.765 1.343 287 HE1 TRP 39 1HE TRP 39 14.717 -5.385 3.411 288 HE3 TRP 39 3HE TRP 39 14.558 -10.615 4.483 289 HZ2 TRP 39 2HZ TRP 39 13.819 -5.930 6.024 290 HZ3 TRP 39 3HZ TRP 39 13.745 -10.139 6.750 291 HH2 TRP 39 HH TRP 39 13.383 -7.843 7.509 292 H CYS 40 H CYS 40 11.952 -9.883 0.474 293 HA CYS 40 HA CYS 40 11.228 -11.316 2.894 294 1HB CYS 40 2HB CYS 40 10.242 -9.203 2.779 295 2HB CYS 40 1HB CYS 40 9.897 -9.355 1.068 296 H GLY 41 H GLY 41 9.435 -12.863 2.792 297 1HA GLY 41 2HA GLY 41 9.546 -14.421 0.283 298 2HA GLY 41 1HA GLY 41 9.352 -15.124 1.876 299 HA PRO 42 HA PRO 42 4.940 -15.390 1.722 300 1HB PRO 42 2HB PRO 42 4.050 -13.663 3.725 301 2HB PRO 42 1HB PRO 42 4.554 -15.338 3.958 302 1HG PRO 42 2HG PRO 42 6.135 -12.823 4.323 303 2HG PRO 42 1HG PRO 42 6.097 -14.275 5.339 304 1HD PRO 42 2HD PRO 42 8.129 -13.877 3.701 305 2HD PRO 42 1HD PRO 42 7.413 -15.499 3.831 306 H CYS 43 H CYS 43 6.098 -12.119 1.814 307 HA CYS 43 HA CYS 43 3.722 -10.818 1.048 308 1HB CYS 43 2HB CYS 43 5.244 -8.925 0.580 309 2HB CYS 43 1HB CYS 43 5.530 -9.751 2.122 310 H ARG 44 H ARG 44 6.325 -12.259 -0.678 311 HA ARG 44 HA ARG 44 5.872 -11.239 -3.256 312 1HB ARG 44 2HB ARG 44 7.951 -12.345 -2.680 313 2HB ARG 44 1HB ARG 44 7.115 -13.853 -2.384 314 1HG ARG 44 2HG ARG 44 6.621 -14.078 -4.740 315 2HG ARG 44 1HG ARG 44 7.336 -12.496 -5.059 316 1HD ARG 44 2HD ARG 44 8.872 -14.358 -5.598 317 2HD ARG 44 1HD ARG 44 9.510 -13.284 -4.354 318 HE ARG 44 HE ARG 44 8.103 -15.511 -3.266 319 1HH1 ARG 44 1HH1 ARG 44 11.225 -14.569 -4.655 320 2HH1 ARG 44 2HH1 ARG 44 12.146 -15.684 -3.771 321 1HH2 ARG 44 1HH2 ARG 44 9.367 -17.070 -2.033 322 2HH2 ARG 44 2HH2 ARG 44 11.058 -17.137 -2.220 323 H PHE 45 H PHE 45 4.261 -13.789 -1.528 324 HA PHE 45 HA PHE 45 2.891 -14.828 -3.830 325 1HB PHE 45 2HB PHE 45 3.389 -16.338 -2.006 326 2HB PHE 45 1HB PHE 45 2.537 -15.314 -0.863 327 HD1 PHE 45 1HD PHE 45 0.255 -15.643 -0.443 328 HD2 PHE 45 2HD PHE 45 2.043 -17.467 -3.847 329 HE1 PHE 45 1HE PHE 45 -1.803 -16.936 -0.826 330 HE2 PHE 45 2HE PHE 45 -0.013 -18.763 -4.235 331 HZ PHE 45 HZ PHE 45 -1.939 -18.497 -2.724 332 H ILE 46 H ILE 46 2.220 -12.442 -1.351 333 HA ILE 46 HA ILE 46 -0.612 -12.343 -2.067 334 HB ILE 46 HB ILE 46 0.146 -12.194 0.333 335 1HG1 ILE 46 2HG1 ILE 46 -1.310 -10.229 0.964 336 2HG1 ILE 46 1HG1 ILE 46 -1.476 -9.901 -0.760 337 1HG2 ILE 46 1HG2 ILE 46 1.135 -9.473 -0.446 338 2HG2 ILE 46 2HG2 ILE 46 2.105 -10.863 0.017 339 3HG2 ILE 46 3HG2 ILE 46 1.023 -10.108 1.202 340 1HD1 ILE 46 1HD1 ILE 46 -2.280 -12.388 0.684 341 2HD1 ILE 46 2HD1 ILE 46 -2.460 -12.134 -1.059 342 3HD1 ILE 46 3HD1 ILE 46 -3.376 -11.142 0.090 343 H ALA 47 H ALA 47 2.315 -10.681 -2.757 344 HA ALA 47 HA ALA 47 1.552 -8.119 -3.343 345 1HB ALA 47 1HB ALA 47 3.666 -9.657 -4.849 346 2HB ALA 47 2HB ALA 47 3.889 -8.903 -3.276 347 3HB ALA 47 3HB ALA 47 3.534 -7.907 -4.692 348 HA PRO 48 HA PRO 48 0.526 -9.317 -8.020 349 1HB PRO 48 2HB PRO 48 -0.589 -12.031 -7.505 350 2HB PRO 48 1HB PRO 48 0.305 -11.434 -8.907 351 1HG PRO 48 2HG PRO 48 1.531 -13.013 -7.190 352 2HG PRO 48 1HG PRO 48 2.362 -11.577 -7.815 353 1HD PRO 48 2HD PRO 48 1.006 -11.957 -5.169 354 2HD PRO 48 1HD PRO 48 2.583 -11.224 -5.529 355 H PHE 49 H PHE 49 -1.207 -10.382 -5.210 356 HA PHE 49 HA PHE 49 -3.802 -9.893 -6.356 357 1HB PHE 49 2HB PHE 49 -3.541 -11.614 -4.627 358 2HB PHE 49 1HB PHE 49 -3.012 -10.395 -3.476 359 HD1 PHE 49 1HD PHE 49 -5.870 -11.380 -5.611 360 HD2 PHE 49 2HD PHE 49 -4.569 -9.297 -2.153 361 HE1 PHE 49 1HE PHE 49 -8.212 -11.029 -4.950 362 HE2 PHE 49 2HE PHE 49 -6.901 -8.940 -1.482 363 HZ PHE 49 HZ PHE 49 -8.731 -9.807 -2.888 364 H PHE 50 H PHE 50 -1.550 -8.174 -4.303 365 HA PHE 50 HA PHE 50 -3.276 -5.953 -3.730 366 1HB PHE 50 2HB PHE 50 -1.225 -6.504 -2.400 367 2HB PHE 50 1HB PHE 50 -0.237 -6.078 -3.788 368 HD1 PHE 50 1HD PHE 50 -2.590 -4.746 -1.281 369 HD2 PHE 50 2HD PHE 50 0.359 -3.820 -4.201 370 HE1 PHE 50 1HE PHE 50 -2.524 -2.433 -0.472 371 HE2 PHE 50 2HE PHE 50 0.431 -1.499 -3.392 372 HZ PHE 50 HZ PHE 50 -1.010 -0.801 -1.527 373 H ALA 51 H ALA 51 -1.082 -6.740 -6.318 374 HA ALA 51 HA ALA 51 -1.220 -4.232 -7.642 375 1HB ALA 51 1HB ALA 51 -0.696 -6.976 -8.807 376 2HB ALA 51 2HB ALA 51 0.527 -5.892 -8.148 377 3HB ALA 51 3HB ALA 51 -0.360 -5.440 -9.605 378 H ASP 52 H ASP 52 -3.266 -7.003 -7.510 379 HA ASP 52 HA ASP 52 -4.974 -6.399 -9.756 380 1HB ASP 52 2HB ASP 52 -4.682 -8.655 -8.637 381 2HB ASP 52 1HB ASP 52 -5.559 -8.007 -7.288 382 H LEU 53 H LEU 53 -5.105 -5.984 -6.299 383 HA LEU 53 HA LEU 53 -7.500 -4.701 -5.988 384 1HB LEU 53 2HB LEU 53 -4.876 -4.401 -4.594 385 2HB LEU 53 1HB LEU 53 -6.321 -3.703 -3.966 386 HG LEU 53 HG LEU 53 -5.657 -6.597 -4.269 387 1HD1 LEU 53 1HD1 LEU 53 -4.656 -5.488 -2.336 388 2HD1 LEU 53 2HD1 LEU 53 -5.892 -6.635 -1.834 389 3HD1 LEU 53 3HD1 LEU 53 -6.247 -4.908 -1.848 390 1HD2 LEU 53 1HD2 LEU 53 -7.847 -7.073 -3.237 391 2HD2 LEU 53 2HD2 LEU 53 -7.987 -6.360 -4.836 392 3HD2 LEU 53 3HD2 LEU 53 -8.277 -5.368 -3.401 393 H ALA 54 H ALA 54 -4.389 -3.417 -6.972 394 HA ALA 54 HA ALA 54 -5.011 -0.683 -6.881 395 1HB ALA 54 1HB ALA 54 -2.718 -1.542 -7.063 396 2HB ALA 54 2HB ALA 54 -3.072 -0.367 -8.329 397 3HB ALA 54 3HB ALA 54 -3.061 -2.091 -8.704 398 H LYS 55 H LYS 55 -5.641 -3.121 -9.309 399 HA LYS 55 HA LYS 55 -6.481 -1.197 -11.288 400 1HB LYS 55 2HB LYS 55 -5.371 -3.292 -11.924 401 2HB LYS 55 1HB LYS 55 -6.675 -4.212 -11.204 402 1HG LYS 55 2HG LYS 55 -8.213 -3.407 -12.866 403 2HG LYS 55 1HG LYS 55 -6.979 -2.335 -13.533 404 1HD LYS 55 2HD LYS 55 -5.605 -4.270 -14.111 405 2HD LYS 55 1HD LYS 55 -6.829 -5.343 -13.437 406 1HE LYS 55 2HE LYS 55 -8.421 -4.648 -15.083 407 2HE LYS 55 1HE LYS 55 -7.318 -3.419 -15.696 408 1HZ LYS 55 1HZ LYS 55 -6.857 -6.357 -15.806 409 2HZ LYS 55 2HZ LYS 55 -5.824 -5.165 -16.405 410 3HZ LYS 55 3HZ LYS 55 -7.340 -5.381 -17.096 411 H LYS 56 H LYS 56 -7.883 -2.792 -8.663 412 HA LYS 56 HA LYS 56 -10.581 -2.753 -9.656 413 1HB LYS 56 2HB LYS 56 -9.479 -3.296 -6.906 414 2HB LYS 56 1HB LYS 56 -11.177 -3.432 -7.344 415 1HG LYS 56 2HG LYS 56 -10.641 -5.194 -8.929 416 2HG LYS 56 1HG LYS 56 -8.927 -5.016 -8.560 417 1HD LYS 56 2HD LYS 56 -9.902 -6.928 -7.380 418 2HD LYS 56 1HD LYS 56 -9.335 -5.699 -6.252 419 1HE LYS 56 2HE LYS 56 -11.488 -6.611 -5.568 420 2HE LYS 56 1HE LYS 56 -11.630 -4.903 -5.955 421 1HZ LYS 56 1HZ LYS 56 -12.378 -7.148 -7.748 422 2HZ LYS 56 2HZ LYS 56 -12.576 -5.521 -8.108 423 3HZ LYS 56 3HZ LYS 56 -13.453 -6.228 -6.839 424 H LEU 57 H LEU 57 -8.652 -0.731 -7.418 425 HA LEU 57 HA LEU 57 -10.957 1.002 -7.184 426 1HB LEU 57 2HB LEU 57 -8.457 0.782 -5.506 427 2HB LEU 57 1HB LEU 57 -9.645 2.045 -5.319 428 HG LEU 57 HG LEU 57 -11.333 0.229 -4.751 429 1HD1 LEU 57 1HD1 LEU 57 -8.900 -1.521 -4.579 430 2HD1 LEU 57 2HD1 LEU 57 -10.248 -1.683 -5.712 431 3HD1 LEU 57 3HD1 LEU 57 -10.513 -1.927 -3.988 432 1HD2 LEU 57 1HD2 LEU 57 -10.515 -0.091 -2.454 433 2HD2 LEU 57 2HD2 LEU 57 -10.395 1.567 -3.013 434 3HD2 LEU 57 3HD2 LEU 57 -8.945 0.553 -2.944 435 HA PRO 58 HA PRO 58 -8.575 3.314 -10.226 436 1HB PRO 58 2HB PRO 58 -10.567 4.905 -11.067 437 2HB PRO 58 1HB PRO 58 -10.467 3.200 -11.522 438 1HG PRO 58 2HG PRO 58 -12.141 4.496 -9.403 439 2HG PRO 58 1HG PRO 58 -12.597 3.247 -10.572 440 1HD PRO 58 2HD PRO 58 -11.949 2.709 -7.984 441 2HD PRO 58 1HD PRO 58 -11.690 1.558 -9.311 442 H ASN 59 H ASN 59 -10.329 4.653 -7.511 443 HA ASN 59 HA ASN 59 -9.179 7.272 -7.920 444 1HB ASN 59 2HB ASN 59 -10.745 7.949 -6.223 445 2HB ASN 59 1HB ASN 59 -11.581 7.140 -7.544 446 1HD2 ASN 59 1HD2 ASN 59 -12.429 7.600 -4.839 447 2HD2 ASN 59 2HD2 ASN 59 -12.768 6.074 -4.116 448 H VAL 60 H VAL 60 -8.062 4.563 -6.691 449 HA VAL 60 HA VAL 60 -7.017 5.846 -4.291 450 HB VAL 60 HB VAL 60 -7.474 2.890 -4.787 451 1HG1 VAL 60 1HG1 VAL 60 -5.439 3.243 -3.481 452 2HG1 VAL 60 2HG1 VAL 60 -6.720 2.569 -2.472 453 3HG1 VAL 60 3HG1 VAL 60 -6.321 4.284 -2.363 454 1HG2 VAL 60 1HG2 VAL 60 -9.057 3.087 -2.912 455 2HG2 VAL 60 2HG2 VAL 60 -9.520 4.081 -4.293 456 3HG2 VAL 60 3HG2 VAL 60 -8.776 4.828 -2.882 457 H LEU 61 H LEU 61 -4.920 5.985 -4.069 458 HA LEU 61 HA LEU 61 -3.269 5.140 -6.337 459 1HB LEU 61 2HB LEU 61 -3.481 7.562 -5.276 460 2HB LEU 61 1HB LEU 61 -2.400 6.921 -4.069 461 HG LEU 61 HG LEU 61 -1.846 7.317 -7.001 462 1HD1 LEU 61 1HD1 LEU 61 -1.782 9.346 -5.754 463 2HD1 LEU 61 2HD1 LEU 61 -0.151 8.881 -6.238 464 3HD1 LEU 61 3HD1 LEU 61 -0.682 8.628 -4.577 465 1HD2 LEU 61 1HD2 LEU 61 0.437 6.568 -6.568 466 2HD2 LEU 61 2HD2 LEU 61 -0.726 5.271 -6.277 467 3HD2 LEU 61 3HD2 LEU 61 -0.015 6.142 -4.918 468 H PHE 62 H PHE 62 -1.883 3.408 -5.987 469 HA PHE 62 HA PHE 62 -1.524 2.518 -3.209 470 1HB PHE 62 2HB PHE 62 -1.377 0.884 -5.732 471 2HB PHE 62 1HB PHE 62 -1.128 0.279 -4.120 472 HD1 PHE 62 1HD PHE 62 -3.753 1.828 -6.263 473 HD2 PHE 62 2HD PHE 62 -2.902 -0.530 -2.832 474 HE1 PHE 62 1HE PHE 62 -6.148 1.292 -6.040 475 HE2 PHE 62 2HE PHE 62 -5.290 -1.064 -2.597 476 HZ PHE 62 HZ PHE 62 -6.915 -0.158 -4.197 477 H LEU 63 H LEU 63 0.502 1.996 -2.536 478 HA LEU 63 HA LEU 63 2.707 2.492 -4.398 479 1HB LEU 63 2HB LEU 63 2.515 3.531 -1.585 480 2HB LEU 63 1HB LEU 63 3.997 3.453 -2.493 481 HG LEU 63 HG LEU 63 2.873 5.034 -4.152 482 1HD1 LEU 63 1HD1 LEU 63 0.587 4.737 -3.472 483 2HD1 LEU 63 2HD1 LEU 63 1.076 6.427 -3.245 484 3HD1 LEU 63 3HD1 LEU 63 0.964 5.344 -1.863 485 1HD2 LEU 63 1HD2 LEU 63 3.411 5.982 -1.352 486 2HD2 LEU 63 2HD2 LEU 63 3.365 7.000 -2.792 487 3HD2 LEU 63 3HD2 LEU 63 4.606 5.757 -2.630 488 H LYS 64 H LYS 64 4.543 1.371 -4.052 489 HA LYS 64 HA LYS 64 4.494 -0.800 -2.022 490 1HB LYS 64 2HB LYS 64 4.632 -1.474 -4.455 491 2HB LYS 64 1HB LYS 64 6.202 -0.662 -4.476 492 1HG LYS 64 2HG LYS 64 6.682 -2.043 -2.357 493 2HG LYS 64 1HG LYS 64 5.348 -3.041 -2.902 494 1HD LYS 64 2HD LYS 64 7.341 -4.016 -3.655 495 2HD LYS 64 1HD LYS 64 6.502 -3.268 -5.040 496 1HE LYS 64 2HE LYS 64 7.965 -1.408 -5.051 497 2HE LYS 64 1HE LYS 64 8.636 -1.849 -3.492 498 1HZ LYS 64 1HZ LYS 64 9.801 -3.700 -4.500 499 2HZ LYS 64 2HZ LYS 64 10.137 -2.331 -5.389 500 3HZ LYS 64 3HZ LYS 64 9.044 -3.450 -5.994 501 H VAL 65 H VAL 65 5.689 -0.169 -0.345 502 HA VAL 65 HA VAL 65 8.085 1.420 -0.918 503 HB VAL 65 HB VAL 65 6.949 0.511 1.761 504 1HG1 VAL 65 1HG1 VAL 65 8.531 2.111 2.749 505 2HG1 VAL 65 2HG1 VAL 65 9.172 2.468 1.146 506 3HG1 VAL 65 3HG1 VAL 65 9.374 0.858 1.836 507 1HG2 VAL 65 1HG2 VAL 65 6.857 3.214 0.442 508 2HG2 VAL 65 2HG2 VAL 65 6.282 2.838 2.068 509 3HG2 VAL 65 3HG2 VAL 65 5.495 2.119 0.662 510 H ASP 66 H ASP 66 9.876 0.262 -1.362 511 HA ASP 66 HA ASP 66 9.707 -2.536 -0.698 512 1HB ASP 66 2HB ASP 66 10.586 -1.615 -2.945 513 2HB ASP 66 1HB ASP 66 12.057 -1.313 -2.004 514 H THR 67 H THR 67 10.316 -3.184 1.009 515 HA THR 67 HA THR 67 11.743 -1.668 2.862 516 HB THR 67 HB THR 67 10.755 -4.409 2.883 517 HG1 THR 67 1HG THR 67 9.394 -2.319 2.596 518 1HG2 THR 67 1HG2 THR 67 12.255 -4.093 4.789 519 2HG2 THR 67 2HG2 THR 67 10.565 -4.156 5.342 520 3HG2 THR 67 3HG2 THR 67 11.387 -2.603 5.209 521 H ASP 68 H ASP 68 12.843 -3.689 0.367 522 HA ASP 68 HA ASP 68 15.250 -4.605 1.708 523 1HB ASP 68 2HB ASP 68 14.262 -5.777 -0.253 524 2HB ASP 68 1HB ASP 68 14.568 -4.363 -1.221 525 H GLU 69 H GLU 69 14.121 -2.035 -0.225 526 HA GLU 69 HA GLU 69 16.682 -0.782 -0.631 527 1HB GLU 69 2HB GLU 69 13.879 -0.185 -1.420 528 2HB GLU 69 1HB GLU 69 15.236 0.820 -1.857 529 1HG GLU 69 2HG GLU 69 16.217 -1.126 -3.059 530 2HG GLU 69 1HG GLU 69 14.801 -2.070 -2.608 531 H LEU 70 H LEU 70 13.483 0.213 0.699 532 HA LEU 70 HA LEU 70 14.678 2.423 2.122 533 1HB LEU 70 2HB LEU 70 11.886 1.583 1.409 534 2HB LEU 70 1HB LEU 70 12.235 2.914 2.466 535 HG LEU 70 HG LEU 70 11.681 3.840 0.370 536 1HD1 LEU 70 1HD1 LEU 70 13.518 4.964 1.380 537 2HD1 LEU 70 2HD1 LEU 70 13.667 5.005 -0.373 538 3HD1 LEU 70 3HD1 LEU 70 14.666 3.899 0.567 539 1HD2 LEU 70 1HD2 LEU 70 11.890 1.867 -1.030 540 2HD2 LEU 70 2HD2 LEU 70 13.650 1.958 -0.911 541 3HD2 LEU 70 3HD2 LEU 70 12.759 3.225 -1.750 542 H LYS 71 H LYS 71 15.392 0.060 3.146 543 HA LYS 71 HA LYS 71 13.622 -1.278 4.841 544 1HB LYS 71 2HB LYS 71 15.823 -2.127 4.022 545 2HB LYS 71 1HB LYS 71 16.613 -1.060 5.178 546 1HG LYS 71 2HG LYS 71 15.505 -2.231 7.011 547 2HG LYS 71 1HG LYS 71 14.686 -3.239 5.802 548 1HD LYS 71 2HD LYS 71 16.795 -4.141 5.060 549 2HD LYS 71 1HD LYS 71 17.676 -3.107 6.191 550 1HE LYS 71 2HE LYS 71 16.601 -4.214 8.057 551 2HE LYS 71 1HE LYS 71 15.673 -5.231 6.959 552 1HZ LYS 71 1HZ LYS 71 17.776 -6.198 6.180 553 2HZ LYS 71 2HZ LYS 71 17.599 -6.383 7.843 554 3HZ LYS 71 3HZ LYS 71 18.625 -5.203 7.241 555 H SER 72 H SER 72 15.791 1.459 5.455 556 HA SER 72 HA SER 72 15.379 1.543 8.235 557 1HB SER 72 2HB SER 72 16.332 3.856 7.976 558 2HB SER 72 1HB SER 72 17.323 2.568 7.284 559 HG SER 72 HG SER 72 16.618 4.654 6.058 560 H VAL 73 H VAL 73 13.777 3.032 5.507 561 HA VAL 73 HA VAL 73 12.121 4.802 6.978 562 HB VAL 73 HB VAL 73 11.560 3.575 4.264 563 1HG1 VAL 73 1HG1 VAL 73 9.571 4.582 5.235 564 2HG1 VAL 73 2HG1 VAL 73 10.149 5.551 3.881 565 3HG1 VAL 73 3HG1 VAL 73 10.456 6.078 5.535 566 1HG2 VAL 73 1HG2 VAL 73 12.535 5.620 3.325 567 2HG2 VAL 73 2HG2 VAL 73 13.716 4.711 4.270 568 3HG2 VAL 73 3HG2 VAL 73 12.965 6.157 4.949 569 H ALA 74 H ALA 74 11.636 1.554 5.701 570 HA ALA 74 HA ALA 74 8.997 1.219 6.627 571 1HB ALA 74 1HB ALA 74 10.030 -0.247 4.953 572 2HB ALA 74 2HB ALA 74 9.383 -1.172 6.313 573 3HB ALA 74 3HB ALA 74 11.118 -0.862 6.195 574 H SER 75 H SER 75 12.125 0.478 8.098 575 HA SER 75 HA SER 75 11.108 -0.666 10.460 576 1HB SER 75 2HB SER 75 13.744 0.768 10.020 577 2HB SER 75 1HB SER 75 13.363 -0.298 11.376 578 HG SER 75 HG SER 75 13.636 -0.940 8.637 579 H ASP 76 H ASP 76 11.628 2.632 9.452 580 HA ASP 76 HA ASP 76 11.376 3.931 11.953 581 1HB ASP 76 2HB ASP 76 12.300 4.988 9.907 582 2HB ASP 76 1HB ASP 76 10.703 4.942 9.181 583 H TRP 77 H TRP 77 9.084 2.899 9.504 584 HA TRP 77 HA TRP 77 6.821 3.950 10.878 585 1HB TRP 77 2HB TRP 77 7.140 2.225 8.476 586 2HB TRP 77 1HB TRP 77 5.540 2.537 9.141 587 HD1 TRP 77 HD TRP 77 8.483 4.366 7.437 588 HE1 TRP 77 1HE TRP 77 7.595 6.514 6.368 589 HE3 TRP 77 3HE TRP 77 3.686 4.214 9.196 590 HZ2 TRP 77 2HZ TRP 77 5.166 7.966 6.264 591 HZ3 TRP 77 3HZ TRP 77 2.143 6.018 8.561 592 HH2 TRP 77 HH TRP 77 2.871 7.858 7.125 593 H ALA 78 H ALA 78 8.727 1.670 11.853 594 HA ALA 78 HA ALA 78 8.636 0.002 13.359 595 1HB ALA 78 1HB ALA 78 6.893 1.353 14.476 596 2HB ALA 78 2HB ALA 78 6.616 -0.378 14.677 597 3HB ALA 78 3HB ALA 78 5.661 0.536 13.516 598 H ILE 79 H ILE 79 8.079 -0.388 10.419 599 HA ILE 79 HA ILE 79 6.468 -2.777 10.385 600 HB ILE 79 HB ILE 79 8.201 -1.616 8.181 601 1HG1 ILE 79 2HG1 ILE 79 6.494 0.007 8.818 602 2HG1 ILE 79 1HG1 ILE 79 6.107 -0.681 7.250 603 1HG2 ILE 79 1HG2 ILE 79 7.694 -3.965 7.821 604 2HG2 ILE 79 2HG2 ILE 79 6.822 -2.966 6.660 605 3HG2 ILE 79 3HG2 ILE 79 5.973 -3.649 8.043 606 1HD1 ILE 79 1HD1 ILE 79 4.458 -2.136 8.317 607 2HD1 ILE 79 2HD1 ILE 79 4.126 -0.427 8.599 608 3HD1 ILE 79 3HD1 ILE 79 4.838 -1.411 9.880 609 H GLN 80 H GLN 80 7.454 -4.226 11.630 610 HA GLN 80 HA GLN 80 10.214 -4.975 11.016 611 1HB GLN 80 2HB GLN 80 9.593 -4.526 13.380 612 2HB GLN 80 1HB GLN 80 8.437 -5.844 13.301 613 1HG GLN 80 2HG GLN 80 10.253 -7.427 12.938 614 2HG GLN 80 1HG GLN 80 11.418 -6.108 12.965 615 1HE2 GLN 80 1HE2 GLN 80 12.506 -6.900 14.695 616 2HE2 GLN 80 2HE2 GLN 80 11.901 -6.885 16.306 617 H ALA 81 H ALA 81 6.933 -6.064 10.930 618 HA ALA 81 HA ALA 81 7.775 -8.649 9.851 619 1HB ALA 81 1HB ALA 81 6.265 -8.787 11.768 620 2HB ALA 81 2HB ALA 81 5.469 -9.374 10.303 621 3HB ALA 81 3HB ALA 81 5.095 -7.770 10.928 622 H MET 82 H MET 82 7.050 -9.282 7.811 623 HA MET 82 HA MET 82 5.646 -7.243 6.271 624 1HB MET 82 2HB MET 82 8.022 -8.899 5.482 625 2HB MET 82 1HB MET 82 7.073 -7.946 4.361 626 1HG MET 82 2HG MET 82 7.715 -5.908 5.505 627 2HG MET 82 1HG MET 82 8.585 -6.848 6.718 628 1HE MET 82 1HE MET 82 11.497 -8.392 4.658 629 2HE MET 82 2HE MET 82 9.929 -9.129 4.946 630 3HE MET 82 3HE MET 82 10.743 -8.252 6.242 631 HA PRO 83 HA PRO 83 4.952 -7.088 4.314 632 1HB PRO 83 2HB PRO 83 2.701 -7.158 2.929 633 2HB PRO 83 1HB PRO 83 4.125 -8.056 2.380 634 1HG PRO 83 2HG PRO 83 1.674 -9.063 3.761 635 2HG PRO 83 1HG PRO 83 2.603 -9.793 2.443 636 1HD PRO 83 2HD PRO 83 2.835 -10.461 5.140 637 2HD PRO 83 1HD PRO 83 4.033 -10.817 3.882 638 H THR 84 H THR 84 3.826 -5.211 4.820 639 HA THR 84 HA THR 84 1.522 -5.549 6.566 640 HB THR 84 HB THR 84 3.570 -3.427 6.681 641 HG1 THR 84 1HG THR 84 4.349 -5.348 7.739 642 1HG2 THR 84 1HG2 THR 84 1.148 -3.860 8.437 643 2HG2 THR 84 2HG2 THR 84 1.388 -2.544 7.288 644 3HG2 THR 84 3HG2 THR 84 2.383 -2.637 8.742 645 H PHE 85 H PHE 85 -0.261 -4.642 5.806 646 HA PHE 85 HA PHE 85 -0.039 -2.877 3.508 647 1HB PHE 85 2HB PHE 85 -2.310 -4.498 4.644 648 2HB PHE 85 1HB PHE 85 -2.386 -3.496 3.214 649 HD1 PHE 85 1HD PHE 85 -1.184 -6.636 4.644 650 HD2 PHE 85 2HD PHE 85 -1.373 -4.234 1.141 651 HE1 PHE 85 1HE PHE 85 -0.516 -8.571 3.284 652 HE2 PHE 85 2HE PHE 85 -0.699 -6.164 -0.220 653 HZ PHE 85 HZ PHE 85 -0.273 -8.328 0.845 654 H MET 86 H MET 86 -0.396 -0.782 3.986 655 HA MET 86 HA MET 86 -2.028 -0.240 6.353 656 1HB MET 86 2HB MET 86 0.244 0.629 6.554 657 2HB MET 86 1HB MET 86 0.040 1.525 5.048 658 1HG MET 86 2HG MET 86 -1.680 2.899 6.083 659 2HG MET 86 1HG MET 86 -1.559 1.970 7.568 660 1HE MET 86 1HE MET 86 0.327 4.443 5.137 661 2HE MET 86 2HE MET 86 1.467 3.101 5.261 662 3HE MET 86 3HE MET 86 1.858 4.661 5.981 663 H PHE 87 H PHE 87 -3.945 0.521 6.025 664 HA PHE 87 HA PHE 87 -4.663 1.510 3.428 665 1HB PHE 87 2HB PHE 87 -6.140 0.287 5.725 666 2HB PHE 87 1HB PHE 87 -6.906 0.938 4.298 667 HD1 PHE 87 1HD PHE 87 -4.905 -1.796 5.682 668 HD2 PHE 87 2HD PHE 87 -6.794 -0.278 2.184 669 HE1 PHE 87 1HE PHE 87 -4.669 -3.992 4.607 670 HE2 PHE 87 2HE PHE 87 -6.554 -2.474 1.098 671 HZ PHE 87 HZ PHE 87 -5.493 -4.333 2.312 672 H LEU 88 H LEU 88 -4.893 3.691 3.390 673 HA LEU 88 HA LEU 88 -6.006 4.861 5.735 674 1HB LEU 88 2HB LEU 88 -4.437 6.800 5.644 675 2HB LEU 88 1HB LEU 88 -3.683 5.288 6.064 676 HG LEU 88 HG LEU 88 -3.474 6.525 3.318 677 1HD1 LEU 88 1HD1 LEU 88 -1.569 6.671 5.665 678 2HD1 LEU 88 2HD1 LEU 88 -2.525 8.013 5.038 679 3HD1 LEU 88 3HD1 LEU 88 -1.261 7.289 4.044 680 1HD2 LEU 88 1HD2 LEU 88 -2.984 4.110 3.439 681 2HD2 LEU 88 2HD2 LEU 88 -1.827 4.416 4.730 682 3HD2 LEU 88 3HD2 LEU 88 -1.527 5.046 3.111 683 H LYS 89 H LYS 89 -6.809 7.137 5.236 684 HA LYS 89 HA LYS 89 -7.658 7.312 2.439 685 1HB LYS 89 2HB LYS 89 -9.476 6.247 3.681 686 2HB LYS 89 1HB LYS 89 -9.446 7.560 4.854 687 1HG LYS 89 2HG LYS 89 -10.141 9.124 3.099 688 2HG LYS 89 1HG LYS 89 -10.185 7.792 1.941 689 1HD LYS 89 2HD LYS 89 -11.890 7.998 4.436 690 2HD LYS 89 1HD LYS 89 -12.430 8.420 2.814 691 1HE LYS 89 2HE LYS 89 -12.025 6.091 2.102 692 2HE LYS 89 1HE LYS 89 -11.509 5.705 3.741 693 1HZ LYS 89 1HZ LYS 89 -13.806 5.057 3.313 694 2HZ LYS 89 2HZ LYS 89 -14.233 6.667 3.018 695 3HZ LYS 89 3HZ LYS 89 -13.705 6.194 4.538 696 H GLU 90 H GLU 90 -7.334 9.230 1.642 697 HA GLU 90 HA GLU 90 -6.907 11.292 1.350 698 1HB GLU 90 2HB GLU 90 -7.993 11.748 4.103 699 2HB GLU 90 1HB GLU 90 -7.626 13.066 3.006 700 1HG GLU 90 2HG GLU 90 -9.363 12.223 1.481 701 2HG GLU 90 1HG GLU 90 -9.734 10.936 2.623 702 H GLY 91 H GLY 91 -5.155 9.464 2.990 703 1HA GLY 91 2HA GLY 91 -2.875 9.683 3.634 704 2HA GLY 91 1HA GLY 91 -3.129 11.417 3.815 705 H LYS 92 H LYS 92 -5.693 9.999 5.264 706 HA LYS 92 HA LYS 92 -4.586 10.279 7.967 707 1HB LYS 92 2HB LYS 92 -7.414 9.817 6.993 708 2HB LYS 92 1HB LYS 92 -6.929 10.318 8.605 709 1HG LYS 92 2HG LYS 92 -6.293 12.466 7.836 710 2HG LYS 92 1HG LYS 92 -6.442 11.972 6.146 711 1HD LYS 92 2HD LYS 92 -8.859 11.621 6.499 712 2HD LYS 92 1HD LYS 92 -8.682 12.184 8.161 713 1HE LYS 92 2HE LYS 92 -7.953 14.353 7.372 714 2HE LYS 92 1HE LYS 92 -7.997 13.787 5.706 715 1HZ LYS 92 1HZ LYS 92 -10.336 13.500 5.849 716 2HZ LYS 92 2HZ LYS 92 -9.963 15.085 6.317 717 3HZ LYS 92 3HZ LYS 92 -10.370 13.927 7.481 718 H ILE 93 H ILE 93 -4.324 8.409 9.182 719 HA ILE 93 HA ILE 93 -4.460 5.959 7.709 720 HB ILE 93 HB ILE 93 -3.569 6.395 10.573 721 1HG1 ILE 93 2HG1 ILE 93 -1.970 6.185 8.008 722 2HG1 ILE 93 1HG1 ILE 93 -2.243 7.662 8.924 723 1HG2 ILE 93 1HG2 ILE 93 -3.151 4.053 8.694 724 2HG2 ILE 93 2HG2 ILE 93 -4.188 4.053 10.121 725 3HG2 ILE 93 3HG2 ILE 93 -2.438 4.214 10.298 726 1HD1 ILE 93 1HD1 ILE 93 -0.030 6.772 9.337 727 2HD1 ILE 93 2HD1 ILE 93 -0.727 5.236 9.847 728 3HD1 ILE 93 3HD1 ILE 93 -1.003 6.686 10.808 729 H LEU 94 H LEU 94 -5.898 4.378 7.771 730 HA LEU 94 HA LEU 94 -8.099 4.642 9.647 731 1HB LEU 94 2HB LEU 94 -7.835 3.168 7.055 732 2HB LEU 94 1HB LEU 94 -9.245 3.088 8.066 733 HG LEU 94 HG LEU 94 -8.213 5.526 6.616 734 1HD1 LEU 94 1HD1 LEU 94 -10.668 3.832 6.242 735 2HD1 LEU 94 2HD1 LEU 94 -9.276 3.922 5.155 736 3HD1 LEU 94 3HD1 LEU 94 -10.318 5.328 5.387 737 1HD2 LEU 94 1HD2 LEU 94 -10.642 5.225 8.389 738 2HD2 LEU 94 2HD2 LEU 94 -10.249 6.638 7.412 739 3HD2 LEU 94 3HD2 LEU 94 -9.203 6.180 8.753 740 H ASP 95 H ASP 95 -6.209 2.050 8.010 741 HA ASP 95 HA ASP 95 -5.927 0.667 10.482 742 1HB ASP 95 2HB ASP 95 -6.903 -1.366 9.573 743 2HB ASP 95 1HB ASP 95 -8.105 -0.169 10.037 744 H LYS 96 H LYS 96 -4.640 -1.168 10.286 745 HA LYS 96 HA LYS 96 -3.352 -1.532 7.733 746 1HB LYS 96 2HB LYS 96 -1.048 -1.425 8.624 747 2HB LYS 96 1HB LYS 96 -1.870 0.103 8.806 748 1HG LYS 96 2HG LYS 96 -0.592 -0.172 10.767 749 2HG LYS 96 1HG LYS 96 -2.237 -0.571 11.250 750 1HD LYS 96 2HD LYS 96 -1.713 -2.960 11.069 751 2HD LYS 96 1HD LYS 96 -0.086 -2.574 10.521 752 1HE LYS 96 2HE LYS 96 -1.259 -1.876 13.218 753 2HE LYS 96 1HE LYS 96 -0.135 -3.192 12.898 754 1HZ LYS 96 1HZ LYS 96 0.461 -0.291 12.560 755 2HZ LYS 96 2HZ LYS 96 1.536 -1.552 12.242 756 3HZ LYS 96 3HZ LYS 96 0.990 -1.289 13.803 757 H VAL 97 H VAL 97 -2.506 -3.516 7.358 758 HA VAL 97 HA VAL 97 -3.231 -5.558 9.355 759 HB VAL 97 HB VAL 97 -3.140 -5.863 6.331 760 1HG1 VAL 97 1HG1 VAL 97 -4.163 -8.063 6.711 761 2HG1 VAL 97 2HG1 VAL 97 -4.044 -7.809 8.450 762 3HG1 VAL 97 3HG1 VAL 97 -2.578 -7.937 7.476 763 1HG2 VAL 97 1HG2 VAL 97 -5.587 -6.072 6.446 764 2HG2 VAL 97 2HG2 VAL 97 -5.042 -4.495 7.018 765 3HG2 VAL 97 3HG2 VAL 97 -5.528 -5.734 8.176 766 H VAL 98 H VAL 98 -1.502 -6.534 10.185 767 HA VAL 98 HA VAL 98 0.948 -6.456 8.627 768 HB VAL 98 HB VAL 98 1.102 -5.338 10.795 769 1HG1 VAL 98 1HG1 VAL 98 0.438 -7.991 12.041 770 2HG1 VAL 98 2HG1 VAL 98 -0.533 -6.519 12.092 771 3HG1 VAL 98 3HG1 VAL 98 1.025 -6.576 12.912 772 1HG2 VAL 98 1HG2 VAL 98 3.103 -6.472 11.676 773 2HG2 VAL 98 2HG2 VAL 98 3.117 -6.348 9.916 774 3HG2 VAL 98 3HG2 VAL 98 2.716 -7.881 10.690 775 H GLY 99 H GLY 99 1.569 -8.193 7.656 776 1HA GLY 99 2HA GLY 99 2.299 -10.454 7.730 777 2HA GLY 99 1HA GLY 99 0.991 -10.787 8.870 778 H ALA 100 H ALA 100 1.671 -11.966 6.193 779 HA ALA 100 HA ALA 100 -0.517 -11.109 4.483 780 1HB ALA 100 1HB ALA 100 1.570 -11.975 3.505 781 2HB ALA 100 2HB ALA 100 0.177 -12.953 3.042 782 3HB ALA 100 3HB ALA 100 1.283 -13.529 4.289 783 H LYS 101 H LYS 101 -2.414 -11.447 5.269 784 HA LYS 101 HA LYS 101 -3.145 -14.151 6.013 785 1HB LYS 101 2HB LYS 101 -4.163 -11.514 6.983 786 2HB LYS 101 1HB LYS 101 -4.899 -13.072 7.380 787 1HG LYS 101 2HG LYS 101 -2.853 -13.728 8.516 788 2HG LYS 101 1HG LYS 101 -2.094 -12.187 8.076 789 1HD LYS 101 2HD LYS 101 -2.774 -12.162 10.262 790 2HD LYS 101 1HD LYS 101 -3.866 -11.110 9.333 791 1HE LYS 101 2HE LYS 101 -5.536 -12.969 9.326 792 2HE LYS 101 1HE LYS 101 -4.438 -13.912 10.321 793 1HZ LYS 101 1HZ LYS 101 -6.102 -12.939 11.686 794 2HZ LYS 101 2HZ LYS 101 -5.839 -11.400 11.114 795 3HZ LYS 101 3HZ LYS 101 -4.643 -12.183 12.050 796 H LYS 102 H LYS 102 -4.366 -14.896 4.218 797 HA LYS 102 HA LYS 102 -5.230 -13.061 2.294 798 1HB LYS 102 2HB LYS 102 -4.448 -15.335 1.781 799 2HB LYS 102 1HB LYS 102 -5.864 -15.974 2.609 800 1HG LYS 102 2HG LYS 102 -7.309 -14.974 0.991 801 2HG LYS 102 1HG LYS 102 -5.927 -14.208 0.204 802 1HD LYS 102 2HD LYS 102 -6.636 -16.211 -1.048 803 2HD LYS 102 1HD LYS 102 -5.021 -16.417 -0.378 804 1HE LYS 102 2HE LYS 102 -5.946 -17.750 1.459 805 2HE LYS 102 1HE LYS 102 -7.571 -17.505 0.827 806 1HZ LYS 102 1HZ LYS 102 -6.689 -19.648 0.197 807 2HZ LYS 102 2HZ LYS 102 -5.381 -18.911 -0.596 808 3HZ LYS 102 3HZ LYS 102 -6.942 -18.683 -1.163 809 H ASP 103 H ASP 103 -7.056 -15.112 4.568 810 HA ASP 103 HA ASP 103 -9.616 -14.189 3.799 811 1HB ASP 103 2HB ASP 103 -9.401 -16.258 5.060 812 2HB ASP 103 1HB ASP 103 -8.714 -15.392 6.429 813 H GLU 104 H GLU 104 -7.433 -13.120 6.298 814 HA GLU 104 HA GLU 104 -9.057 -11.140 7.514 815 1HB GLU 104 2HB GLU 104 -6.935 -11.994 8.413 816 2HB GLU 104 1HB GLU 104 -6.081 -11.189 7.100 817 1HG GLU 104 2HG GLU 104 -5.805 -9.833 9.001 818 2HG GLU 104 1HG GLU 104 -7.027 -9.033 8.009 819 H LEU 105 H LEU 105 -6.772 -10.972 4.827 820 HA LEU 105 HA LEU 105 -6.928 -8.235 4.368 821 1HB LEU 105 2HB LEU 105 -5.373 -9.923 3.327 822 2HB LEU 105 1HB LEU 105 -6.687 -10.376 2.307 823 HG LEU 105 HG LEU 105 -6.840 -8.177 1.321 824 1HD1 LEU 105 1HD1 LEU 105 -5.071 -6.499 1.717 825 2HD1 LEU 105 2HD1 LEU 105 -4.424 -7.506 3.015 826 3HD1 LEU 105 3HD1 LEU 105 -6.035 -6.804 3.159 827 1HD2 LEU 105 1HD2 LEU 105 -5.430 -9.838 0.249 828 2HD2 LEU 105 2HD2 LEU 105 -4.056 -9.325 1.224 829 3HD2 LEU 105 3HD2 LEU 105 -4.753 -8.226 0.036 830 H GLN 106 H GLN 106 -8.726 -10.902 3.095 831 HA GLN 106 HA GLN 106 -10.486 -9.450 1.398 832 1HB GLN 106 2HB GLN 106 -11.223 -12.001 2.861 833 2HB GLN 106 1HB GLN 106 -12.012 -11.354 1.436 834 1HG GLN 106 2HG GLN 106 -9.234 -12.493 1.617 835 2HG GLN 106 1HG GLN 106 -10.627 -13.212 0.823 836 1HE2 GLN 106 1HE2 GLN 106 -8.147 -10.871 0.654 837 2HE2 GLN 106 2HE2 GLN 106 -8.359 -10.434 -1.005 838 H SER 107 H SER 107 -10.650 -10.109 4.853 839 HA SER 107 HA SER 107 -13.297 -9.135 5.159 840 1HB SER 107 2HB SER 107 -12.200 -10.642 6.783 841 2HB SER 107 1HB SER 107 -11.047 -9.372 7.184 842 HG SER 107 HG SER 107 -13.539 -9.791 8.091 843 H THR 108 H THR 108 -10.076 -7.719 5.558 844 HA THR 108 HA THR 108 -10.879 -5.109 6.266 845 HB THR 108 HB THR 108 -8.396 -6.037 4.789 846 HG1 THR 108 1HG THR 108 -7.560 -5.975 7.015 847 1HG2 THR 108 1HG2 THR 108 -7.348 -4.047 5.772 848 2HG2 THR 108 2HG2 THR 108 -8.874 -3.608 6.529 849 3HG2 THR 108 3HG2 THR 108 -8.726 -3.585 4.769 850 H ILE 109 H ILE 109 -10.423 -6.669 3.098 851 HA ILE 109 HA ILE 109 -10.764 -4.311 1.619 852 HB ILE 109 HB ILE 109 -11.437 -7.156 0.790 853 1HG1 ILE 109 2HG1 ILE 109 -8.995 -5.449 0.248 854 2HG1 ILE 109 1HG1 ILE 109 -9.072 -6.787 1.387 855 1HG2 ILE 109 1HG2 ILE 109 -11.330 -6.270 -1.525 856 2HG2 ILE 109 2HG2 ILE 109 -11.113 -4.644 -0.849 857 3HG2 ILE 109 3HG2 ILE 109 -12.619 -5.510 -0.577 858 1HD1 ILE 109 1HD1 ILE 109 -9.435 -6.978 -1.592 859 2HD1 ILE 109 2HD1 ILE 109 -9.484 -8.329 -0.455 860 3HD1 ILE 109 3HD1 ILE 109 -7.991 -7.416 -0.684 861 H ALA 110 H ALA 110 -13.096 -6.689 2.822 862 HA ALA 110 HA ALA 110 -15.368 -5.472 1.655 863 1HB ALA 110 1HB ALA 110 -15.370 -7.768 2.547 864 2HB ALA 110 2HB ALA 110 -16.674 -6.791 3.222 865 3HB ALA 110 3HB ALA 110 -15.229 -7.121 4.182 866 H LYS 111 H LYS 111 -13.629 -4.810 4.713 867 HA LYS 111 HA LYS 111 -15.434 -3.157 5.849 868 1HB LYS 111 2HB LYS 111 -12.630 -3.758 5.822 869 2HB LYS 111 1HB LYS 111 -13.032 -2.393 6.783 870 1HG LYS 111 2HG LYS 111 -14.645 -3.975 8.012 871 2HG LYS 111 1HG LYS 111 -13.922 -5.263 7.044 872 1HD LYS 111 2HD LYS 111 -11.742 -4.813 8.032 873 2HD LYS 111 1HD LYS 111 -12.412 -3.452 8.926 874 1HE LYS 111 2HE LYS 111 -12.164 -5.412 10.343 875 2HE LYS 111 1HE LYS 111 -13.857 -4.964 10.170 876 1HZ LYS 111 1HZ LYS 111 -13.533 -7.339 10.019 877 2HZ LYS 111 2HZ LYS 111 -12.484 -7.200 8.738 878 3HZ LYS 111 3HZ LYS 111 -14.113 -6.773 8.556 879 H HIS 112 H HIS 112 -13.016 -2.672 3.328 880 HA HIS 112 HA HIS 112 -13.373 0.188 3.321 881 1HB HIS 112 2HB HIS 112 -11.546 -1.706 1.898 882 2HB HIS 112 1HB HIS 112 -11.727 -0.047 1.368 883 HD1 HIS 112 1HD HIS 112 -10.291 1.622 2.513 884 HD2 HIS 112 2HD HIS 112 -10.514 -1.933 4.626 885 HE1 HIS 112 1HE HIS 112 -8.694 1.899 4.400 886 HE2 HIS 112 2HE HIS 112 -9.009 -0.159 5.820 887 H LEU 113 H LEU 113 -14.597 -2.622 1.554 888 HA LEU 113 HA LEU 113 -15.108 -1.397 -0.867 889 1HB LEU 113 2HB LEU 113 -14.872 -3.822 -0.168 890 2HB LEU 113 1HB LEU 113 -16.493 -3.639 0.457 891 HG LEU 113 HG LEU 113 -16.320 -4.801 -1.601 892 1HD1 LEU 113 1HD1 LEU 113 -17.860 -2.198 -1.852 893 2HD1 LEU 113 2HD1 LEU 113 -18.457 -3.694 -1.143 894 3HD1 LEU 113 3HD1 LEU 113 -18.140 -3.603 -2.878 895 1HD2 LEU 113 1HD2 LEU 113 -14.490 -3.729 -2.676 896 2HD2 LEU 113 2HD2 LEU 113 -15.384 -2.215 -2.810 897 3HD2 LEU 113 3HD2 LEU 113 -15.886 -3.621 -3.747 898 H ALA 114 H ALA 114 -16.419 0.270 -1.087 899 HA ALA 114 HA ALA 114 -19.136 0.071 -0.162 900 1HB ALA 114 1HB ALA 114 -18.046 1.359 1.629 901 2HB ALA 114 2HB ALA 114 -19.131 2.392 0.699 902 3HB ALA 114 3HB ALA 114 -17.390 2.479 0.435 Start of MODEL 20 1 H MET 1 H MET 1 -12.408 6.203 -21.000 2 HA MET 1 HA MET 1 -11.107 3.659 -21.594 3 1HB MET 1 2HB MET 1 -9.959 6.376 -20.896 4 2HB MET 1 1HB MET 1 -9.011 4.960 -21.302 5 1HG MET 1 2HG MET 1 -9.987 4.955 -23.547 6 2HG MET 1 1HG MET 1 -10.934 6.379 -23.127 7 1HE MET 1 1HE MET 1 -10.029 7.594 -25.258 8 2HE MET 1 2HE MET 1 -9.061 6.182 -25.685 9 3HE MET 1 3HE MET 1 -8.322 7.782 -25.648 10 H ALA 2 H ALA 2 -9.206 3.381 -19.863 11 HA ALA 2 HA ALA 2 -10.583 3.163 -17.330 12 1HB ALA 2 1HB ALA 2 -8.645 1.826 -16.654 13 2HB ALA 2 2HB ALA 2 -7.842 2.219 -18.174 14 3HB ALA 2 3HB ALA 2 -9.310 1.242 -18.181 15 H SER 3 H SER 3 -9.165 3.681 -15.367 16 HA SER 3 HA SER 3 -8.161 6.401 -15.681 17 1HB SER 3 2HB SER 3 -9.860 5.715 -13.884 18 2HB SER 3 1HB SER 3 -8.586 4.731 -13.184 19 HG SER 3 HG SER 3 -9.004 7.416 -13.110 20 H GLU 4 H GLU 4 -6.176 6.531 -13.820 21 HA GLU 4 HA GLU 4 -4.248 4.668 -14.874 22 1HB GLU 4 2HB GLU 4 -3.644 7.084 -14.420 23 2HB GLU 4 1HB GLU 4 -3.809 6.744 -12.701 24 1HG GLU 4 2HG GLU 4 -1.477 6.714 -13.460 25 2HG GLU 4 1HG GLU 4 -1.997 5.158 -12.806 26 H GLU 5 H GLU 5 -5.164 2.849 -14.222 27 HA GLU 5 HA GLU 5 -5.224 2.220 -11.351 28 1HB GLU 5 2HB GLU 5 -7.279 0.948 -11.831 29 2HB GLU 5 1HB GLU 5 -7.447 2.664 -12.201 30 1HG GLU 5 2HG GLU 5 -7.054 2.190 -14.575 31 2HG GLU 5 1HG GLU 5 -6.959 0.474 -14.203 32 H GLY 6 H GLY 6 -5.416 -0.219 -11.126 33 1HA GLY 6 2HA GLY 6 -4.702 -2.367 -11.576 34 2HA GLY 6 1HA GLY 6 -4.518 -1.888 -13.261 35 H GLN 7 H GLN 7 -2.886 0.091 -11.035 36 HA GLN 7 HA GLN 7 -0.469 -1.445 -11.286 37 1HB GLN 7 2HB GLN 7 0.805 0.542 -11.987 38 2HB GLN 7 1HB GLN 7 -0.274 -0.100 -13.198 39 1HG GLN 7 2HG GLN 7 -0.491 2.258 -13.376 40 2HG GLN 7 1HG GLN 7 -1.893 1.781 -12.429 41 1HE2 GLN 7 1HE2 GLN 7 -2.117 3.794 -11.430 42 2HE2 GLN 7 2HE2 GLN 7 -0.979 4.367 -10.275 43 H VAL 8 H VAL 8 1.056 -0.931 -9.967 44 HA VAL 8 HA VAL 8 0.206 0.487 -7.512 45 HB VAL 8 HB VAL 8 1.922 -2.009 -7.709 46 1HG1 VAL 8 1HG1 VAL 8 1.754 -2.072 -5.271 47 2HG1 VAL 8 2HG1 VAL 8 0.920 -0.518 -5.298 48 3HG1 VAL 8 3HG1 VAL 8 2.596 -0.629 -5.835 49 1HG2 VAL 8 1HG2 VAL 8 0.065 -3.155 -6.620 50 2HG2 VAL 8 2HG2 VAL 8 -0.403 -2.469 -8.179 51 3HG2 VAL 8 3HG2 VAL 8 -0.886 -1.667 -6.683 52 H ILE 9 H ILE 9 1.635 2.039 -6.737 53 HA ILE 9 HA ILE 9 3.912 2.547 -8.386 54 HB ILE 9 HB ILE 9 2.829 4.031 -5.976 55 1HG1 ILE 9 2HG1 ILE 9 2.470 5.864 -7.716 56 2HG1 ILE 9 1HG1 ILE 9 2.785 4.650 -8.929 57 1HG2 ILE 9 1HG2 ILE 9 5.225 4.332 -6.006 58 2HG2 ILE 9 2HG2 ILE 9 4.438 5.833 -6.504 59 3HG2 ILE 9 3HG2 ILE 9 5.180 4.789 -7.707 60 1HD1 ILE 9 1HD1 ILE 9 0.403 4.993 -8.644 61 2HD1 ILE 9 2HD1 ILE 9 0.535 4.598 -6.929 62 3HD1 ILE 9 3HD1 ILE 9 0.856 3.362 -8.149 63 H ALA 10 H ALA 10 5.757 1.557 -8.018 64 HA ALA 10 HA ALA 10 6.268 0.506 -5.339 65 1HB ALA 10 1HB ALA 10 7.703 -0.024 -7.941 66 2HB ALA 10 2HB ALA 10 6.512 -1.081 -7.178 67 3HB ALA 10 3HB ALA 10 8.063 -0.789 -6.396 68 H CYS 11 H CYS 11 7.217 1.994 -4.075 69 HA CYS 11 HA CYS 11 8.985 3.908 -5.238 70 1HB CYS 11 2HB CYS 11 8.287 3.500 -2.346 71 2HB CYS 11 1HB CYS 11 8.999 4.882 -3.118 72 HG CYS 11 HG CYS 11 6.285 5.455 -2.442 73 H HIS 12 H HIS 12 11.014 3.414 -5.489 74 HA HIS 12 HA HIS 12 12.278 1.674 -3.502 75 1HB HIS 12 2HB HIS 12 13.056 2.188 -6.388 76 2HB HIS 12 1HB HIS 12 14.081 1.349 -5.232 77 HD1 HIS 12 1HD HIS 12 13.680 -1.098 -4.906 78 HD2 HIS 12 2HD HIS 12 10.632 0.744 -7.058 79 HE1 HIS 12 1HE HIS 12 12.188 -2.967 -5.727 80 HE2 HIS 12 2HE HIS 12 10.507 -1.840 -7.201 81 H THR 13 H THR 13 11.638 4.677 -3.831 82 HA THR 13 HA THR 13 14.207 5.585 -2.851 83 HB THR 13 HB THR 13 13.909 7.718 -4.146 84 HG1 THR 13 1HG THR 13 12.478 7.636 -5.968 85 1HG2 THR 13 1HG2 THR 13 14.678 6.831 -6.330 86 2HG2 THR 13 2HG2 THR 13 14.189 5.213 -5.813 87 3HG2 THR 13 3HG2 THR 13 15.488 6.052 -4.971 88 H VAL 14 H VAL 14 13.963 7.454 -1.516 89 HA VAL 14 HA VAL 14 11.506 7.510 -0.057 90 HB VAL 14 HB VAL 14 13.805 9.438 0.100 91 1HG1 VAL 14 1HG1 VAL 14 11.727 8.696 2.156 92 2HG1 VAL 14 2HG1 VAL 14 11.818 10.214 1.270 93 3HG1 VAL 14 3HG1 VAL 14 13.082 9.792 2.430 94 1HG2 VAL 14 1HG2 VAL 14 14.694 7.217 0.362 95 2HG2 VAL 14 2HG2 VAL 14 13.449 6.827 1.544 96 3HG2 VAL 14 3HG2 VAL 14 14.687 8.025 1.932 97 H GLU 15 H GLU 15 12.991 9.299 -2.660 98 HA GLU 15 HA GLU 15 11.641 11.639 -2.677 99 1HB GLU 15 2HB GLU 15 12.718 9.850 -4.811 100 2HB GLU 15 1HB GLU 15 12.179 11.496 -5.073 101 1HG GLU 15 2HG GLU 15 14.352 10.716 -3.160 102 2HG GLU 15 1HG GLU 15 14.631 11.250 -4.818 103 H THR 16 H THR 16 10.814 8.540 -4.354 104 HA THR 16 HA THR 16 8.380 9.556 -5.382 105 HB THR 16 HB THR 16 9.180 6.650 -4.961 106 HG1 THR 16 1HG THR 16 9.760 8.580 -6.940 107 1HG2 THR 16 1HG2 THR 16 6.793 7.001 -5.520 108 2HG2 THR 16 2HG2 THR 16 7.660 6.226 -6.844 109 3HG2 THR 16 3HG2 THR 16 7.273 7.945 -6.931 110 H TRP 17 H TRP 17 9.281 7.791 -2.498 111 HA TRP 17 HA TRP 17 6.775 7.140 -1.474 112 1HB TRP 17 2HB TRP 17 8.795 6.237 -0.545 113 2HB TRP 17 1HB TRP 17 9.382 7.841 -0.134 114 HD1 TRP 17 HD TRP 17 9.053 8.508 2.296 115 HE1 TRP 17 1HE TRP 17 7.630 7.694 4.256 116 HE3 TRP 17 3HE TRP 17 6.224 5.062 -0.167 117 HZ2 TRP 17 2HZ TRP 17 5.560 5.830 4.711 118 HZ3 TRP 17 3HZ TRP 17 4.539 3.816 1.097 119 HH2 TRP 17 HH TRP 17 4.211 4.190 3.489 120 H ASN 18 H ASN 18 8.755 10.006 -0.818 121 HA ASN 18 HA ASN 18 6.878 11.364 0.789 122 1HB ASN 18 2HB ASN 18 9.348 11.833 0.667 123 2HB ASN 18 1HB ASN 18 9.098 12.511 -0.928 124 1HD2 ASN 18 1HD2 ASN 18 10.204 13.711 1.480 125 2HD2 ASN 18 2HD2 ASN 18 9.261 15.105 1.805 126 H GLU 19 H GLU 19 7.596 11.460 -2.646 127 HA GLU 19 HA GLU 19 6.006 13.535 -3.553 128 1HB GLU 19 2HB GLU 19 7.663 12.386 -4.896 129 2HB GLU 19 1HB GLU 19 6.720 10.911 -4.835 130 1HG GLU 19 2HG GLU 19 4.947 12.030 -6.115 131 2HG GLU 19 1HG GLU 19 5.967 13.470 -6.218 132 H GLN 20 H GLN 20 5.120 10.027 -3.231 133 HA GLN 20 HA GLN 20 2.604 10.407 -4.284 134 1HB GLN 20 2HB GLN 20 3.925 8.297 -2.762 135 2HB GLN 20 1HB GLN 20 2.282 8.126 -3.347 136 1HG GLN 20 2HG GLN 20 4.816 8.439 -4.970 137 2HG GLN 20 1HG GLN 20 3.791 7.007 -4.874 138 1HE2 GLN 20 1HE2 GLN 20 4.245 10.115 -6.325 139 2HE2 GLN 20 2HE2 GLN 20 2.958 10.006 -7.450 140 H LEU 21 H LEU 21 3.809 10.232 -0.865 141 HA LEU 21 HA LEU 21 1.275 10.045 0.218 142 1HB LEU 21 2HB LEU 21 3.901 10.930 1.153 143 2HB LEU 21 1HB LEU 21 2.528 10.780 2.210 144 HG LEU 21 HG LEU 21 3.966 8.569 0.732 145 1HD1 LEU 21 1HD1 LEU 21 4.538 7.794 2.970 146 2HD1 LEU 21 2HD1 LEU 21 3.714 9.192 3.660 147 3HD1 LEU 21 3HD1 LEU 21 5.148 9.418 2.660 148 1HD2 LEU 21 1HD2 LEU 21 1.565 8.074 0.826 149 2HD2 LEU 21 2HD2 LEU 21 1.565 8.376 2.563 150 3HD2 LEU 21 3HD2 LEU 21 2.467 7.012 1.906 151 H GLN 22 H GLN 22 3.452 12.750 -0.321 152 HA GLN 22 HA GLN 22 1.812 14.653 0.866 153 1HB GLN 22 2HB GLN 22 4.164 15.081 0.264 154 2HB GLN 22 1HB GLN 22 3.741 15.014 -1.438 155 1HG GLN 22 2HG GLN 22 2.323 16.996 -1.152 156 2HG GLN 22 1HG GLN 22 2.774 17.060 0.548 157 1HE2 GLN 22 1HE2 GLN 22 3.182 18.999 -1.584 158 2HE2 GLN 22 2HE2 GLN 22 4.871 19.288 -1.680 159 H LYS 23 H LYS 23 1.941 13.353 -2.401 160 HA LYS 23 HA LYS 23 0.056 14.986 -3.685 161 1HB LYS 23 2HB LYS 23 1.580 13.348 -4.798 162 2HB LYS 23 1HB LYS 23 0.609 12.051 -4.141 163 1HG LYS 23 2HG LYS 23 -1.329 12.869 -5.431 164 2HG LYS 23 1HG LYS 23 -0.303 14.126 -6.123 165 1HD LYS 23 2HD LYS 23 1.182 12.377 -7.038 166 2HD LYS 23 1HD LYS 23 0.087 11.144 -6.406 167 1HE LYS 23 2HE LYS 23 -1.724 12.094 -7.795 168 2HE LYS 23 1HE LYS 23 -0.580 13.258 -8.447 169 1HZ LYS 23 1HZ LYS 23 0.713 11.372 -9.342 170 2HZ LYS 23 2HZ LYS 23 -0.840 11.428 -9.964 171 3HZ LYS 23 3HZ LYS 23 -0.470 10.300 -8.789 172 H ALA 24 H ALA 24 -0.326 11.934 -1.851 173 HA ALA 24 HA ALA 24 -3.109 11.764 -2.355 174 1HB ALA 24 1HB ALA 24 -1.453 10.367 -0.257 175 2HB ALA 24 2HB ALA 24 -1.733 9.792 -1.903 176 3HB ALA 24 3HB ALA 24 -3.079 9.920 -0.771 177 H ASN 25 H ASN 25 -1.172 13.021 0.275 178 HA ASN 25 HA ASN 25 -3.258 13.375 2.175 179 1HB ASN 25 2HB ASN 25 -0.702 13.485 2.525 180 2HB ASN 25 1HB ASN 25 -0.820 15.066 1.863 181 1HD2 ASN 25 1HD2 ASN 25 -1.557 16.790 3.019 182 2HD2 ASN 25 2HD2 ASN 25 -2.039 16.692 4.668 183 H GLU 26 H GLU 26 -1.656 15.501 -0.001 184 HA GLU 26 HA GLU 26 -2.982 17.939 0.456 185 1HB GLU 26 2HB GLU 26 -0.896 17.670 -0.808 186 2HB GLU 26 1HB GLU 26 -1.785 16.893 -2.094 187 1HG GLU 26 2HG GLU 26 -3.052 18.996 -2.414 188 2HG GLU 26 1HG GLU 26 -1.992 19.752 -1.220 189 H SER 27 H SER 27 -3.724 15.378 -1.909 190 HA SER 27 HA SER 27 -5.982 16.888 -2.905 191 1HB SER 27 2HB SER 27 -4.762 14.291 -3.757 192 2HB SER 27 1HB SER 27 -6.038 15.154 -4.613 193 HG SER 27 HG SER 27 -3.371 15.533 -4.637 194 H LYS 28 H LYS 28 -5.638 15.120 -0.273 195 HA LYS 28 HA LYS 28 -6.759 13.606 0.921 196 1HB LYS 28 2HB LYS 28 -8.965 15.027 -0.400 197 2HB LYS 28 1HB LYS 28 -9.308 13.789 0.802 198 1HG LYS 28 2HG LYS 28 -7.871 15.184 2.378 199 2HG LYS 28 1HG LYS 28 -7.966 16.459 1.155 200 1HD LYS 28 2HD LYS 28 -10.379 16.449 1.275 201 2HD LYS 28 1HD LYS 28 -10.348 15.098 2.404 202 1HE LYS 28 2HE LYS 28 -9.097 16.549 3.996 203 2HE LYS 28 1HE LYS 28 -9.305 17.881 2.864 204 1HZ LYS 28 1HZ LYS 28 -11.505 16.396 4.205 205 2HZ LYS 28 2HZ LYS 28 -11.706 17.646 3.099 206 3HZ LYS 28 3HZ LYS 28 -10.963 17.945 4.572 207 H THR 29 H THR 29 -5.686 12.327 -1.007 208 HA THR 29 HA THR 29 -7.753 10.677 -2.168 209 HB THR 29 HB THR 29 -4.829 10.507 -2.732 210 HG1 THR 29 1HG THR 29 -6.879 12.155 -3.911 211 1HG2 THR 29 1HG2 THR 29 -5.634 9.631 -4.895 212 2HG2 THR 29 2HG2 THR 29 -7.295 9.834 -4.334 213 3HG2 THR 29 3HG2 THR 29 -6.224 8.689 -3.526 214 H LEU 30 H LEU 30 -7.702 8.552 -1.771 215 HA LEU 30 HA LEU 30 -6.674 7.849 0.791 216 1HB LEU 30 2HB LEU 30 -8.981 7.282 0.002 217 2HB LEU 30 1HB LEU 30 -8.289 6.195 -1.167 218 HG LEU 30 HG LEU 30 -8.039 5.776 1.829 219 1HD1 LEU 30 1HD1 LEU 30 -10.370 5.837 1.148 220 2HD1 LEU 30 2HD1 LEU 30 -9.833 4.234 1.629 221 3HD1 LEU 30 3HD1 LEU 30 -10.037 4.614 -0.086 222 1HD2 LEU 30 1HD2 LEU 30 -6.408 4.557 0.420 223 2HD2 LEU 30 2HD2 LEU 30 -7.751 3.864 -0.491 224 3HD2 LEU 30 3HD2 LEU 30 -7.555 3.480 1.218 225 H VAL 31 H VAL 31 -4.928 6.458 1.180 226 HA VAL 31 HA VAL 31 -3.567 5.394 -1.155 227 HB VAL 31 HB VAL 31 -2.502 7.494 -0.517 228 1HG1 VAL 31 1HG1 VAL 31 -1.359 7.792 1.630 229 2HG1 VAL 31 2HG1 VAL 31 -2.058 6.274 2.191 230 3HG1 VAL 31 3HG1 VAL 31 -3.112 7.636 1.808 231 1HG2 VAL 31 1HG2 VAL 31 -0.811 5.103 0.204 232 2HG2 VAL 31 2HG2 VAL 31 -0.190 6.701 -0.211 233 3HG2 VAL 31 3HG2 VAL 31 -1.067 5.758 -1.414 234 H VAL 32 H VAL 32 -2.812 3.395 -0.962 235 HA VAL 32 HA VAL 32 -2.833 2.119 1.683 236 HB VAL 32 HB VAL 32 -3.399 0.861 -0.968 237 1HG1 VAL 32 1HG1 VAL 32 -3.535 -0.302 1.818 238 2HG1 VAL 32 2HG1 VAL 32 -2.348 -0.696 0.579 239 3HG1 VAL 32 3HG1 VAL 32 -4.042 -1.144 0.354 240 1HG2 VAL 32 1HG2 VAL 32 -5.725 0.566 -0.163 241 2HG2 VAL 32 2HG2 VAL 32 -5.261 2.259 -0.330 242 3HG2 VAL 32 3HG2 VAL 32 -5.314 1.516 1.268 243 H VAL 33 H VAL 33 -0.902 1.375 2.271 244 HA VAL 33 HA VAL 33 1.132 1.081 0.168 245 HB VAL 33 HB VAL 33 1.588 1.878 3.049 246 1HG1 VAL 33 1HG1 VAL 33 3.445 0.627 2.094 247 2HG1 VAL 33 2HG1 VAL 33 3.883 2.307 2.361 248 3HG1 VAL 33 3HG1 VAL 33 3.508 1.743 0.728 249 1HG2 VAL 33 1HG2 VAL 33 0.497 3.680 1.807 250 2HG2 VAL 33 2HG2 VAL 33 1.720 3.559 0.542 251 3HG2 VAL 33 3HG2 VAL 33 2.174 4.094 2.160 252 H ASP 34 H ASP 34 2.151 -0.778 0.031 253 HA ASP 34 HA ASP 34 1.767 -2.862 2.071 254 1HB ASP 34 2HB ASP 34 0.994 -3.444 -0.178 255 2HB ASP 34 1HB ASP 34 2.540 -2.971 -0.855 256 H PHE 35 H PHE 35 3.524 -3.036 3.390 257 HA PHE 35 HA PHE 35 6.136 -2.289 2.368 258 1HB PHE 35 2HB PHE 35 5.207 -2.968 5.160 259 2HB PHE 35 1HB PHE 35 6.811 -2.473 4.692 260 HD1 PHE 35 1HD PHE 35 7.307 -0.165 4.083 261 HD2 PHE 35 2HD PHE 35 3.394 -1.330 5.284 262 HE1 PHE 35 1HE PHE 35 6.714 2.196 4.422 263 HE2 PHE 35 2HE PHE 35 2.792 1.032 5.624 264 HZ PHE 35 HZ PHE 35 4.452 2.796 5.196 265 H THR 36 H THR 36 7.385 -3.858 1.670 266 HA THR 36 HA THR 36 6.828 -6.658 2.478 267 HB THR 36 HB THR 36 5.869 -6.117 0.246 268 HG1 THR 36 1HG THR 36 7.596 -7.626 -0.897 269 1HG2 THR 36 1HG2 THR 36 8.717 -5.435 -0.436 270 2HG2 THR 36 2HG2 THR 36 7.357 -4.312 -0.417 271 3HG2 THR 36 3HG2 THR 36 7.440 -5.583 -1.630 272 H ALA 37 H ALA 37 8.569 -8.111 1.955 273 HA ALA 37 HA ALA 37 11.231 -6.903 2.134 274 1HB ALA 37 1HB ALA 37 10.258 -9.457 3.424 275 2HB ALA 37 2HB ALA 37 10.630 -7.954 4.270 276 3HB ALA 37 3HB ALA 37 11.914 -8.861 3.470 277 H SER 38 H SER 38 12.862 -8.098 1.046 278 HA SER 38 HA SER 38 11.974 -9.058 -1.457 279 1HB SER 38 2HB SER 38 14.729 -9.092 -0.256 280 2HB SER 38 1HB SER 38 14.322 -9.226 -1.970 281 HG SER 38 HG SER 38 13.143 -6.998 -1.008 282 H TRP 39 H TRP 39 12.897 -10.663 1.489 283 HA TRP 39 HA TRP 39 13.322 -13.169 0.069 284 1HB TRP 39 2HB TRP 39 14.153 -14.008 2.324 285 2HB TRP 39 1HB TRP 39 15.090 -12.750 1.542 286 HD1 TRP 39 HD TRP 39 15.515 -10.662 2.820 287 HE1 TRP 39 1HE TRP 39 14.827 -9.716 5.125 288 HE3 TRP 39 3HE TRP 39 11.977 -14.095 4.066 289 HZ2 TRP 39 2HZ TRP 39 13.030 -10.364 7.182 290 HZ3 TRP 39 3HZ TRP 39 10.808 -13.866 6.228 291 HH2 TRP 39 HH TRP 39 11.336 -12.015 7.748 292 H CYS 40 H CYS 40 10.608 -11.795 1.325 293 HA CYS 40 HA CYS 40 9.710 -14.408 2.210 294 1HB CYS 40 2HB CYS 40 7.736 -13.202 3.264 295 2HB CYS 40 1HB CYS 40 9.302 -12.919 3.997 296 H GLY 41 H GLY 41 8.408 -15.597 1.159 297 1HA GLY 41 2HA GLY 41 7.848 -15.132 -1.527 298 2HA GLY 41 1HA GLY 41 7.182 -16.422 -0.544 299 HA PRO 42 HA PRO 42 3.082 -14.760 -0.453 300 1HB PRO 42 2HB PRO 42 3.316 -13.837 2.366 301 2HB PRO 42 1HB PRO 42 2.093 -14.865 1.621 302 1HG PRO 42 2HG PRO 42 3.963 -15.939 3.174 303 2HG PRO 42 1HG PRO 42 3.423 -16.757 1.695 304 1HD PRO 42 2HD PRO 42 5.929 -15.220 2.209 305 2HD PRO 42 1HD PRO 42 5.686 -16.692 1.242 306 H CYS 43 H CYS 43 5.468 -12.671 1.025 307 HA CYS 43 HA CYS 43 4.069 -10.233 0.930 308 1HB CYS 43 2HB CYS 43 7.034 -10.642 0.543 309 2HB CYS 43 1HB CYS 43 6.240 -9.165 1.061 310 H ARG 44 H ARG 44 6.239 -11.795 -1.432 311 HA ARG 44 HA ARG 44 5.780 -9.687 -3.318 312 1HB ARG 44 2HB ARG 44 7.942 -10.964 -3.185 313 2HB ARG 44 1HB ARG 44 7.085 -12.359 -3.828 314 1HG ARG 44 2HG ARG 44 6.554 -11.138 -5.853 315 2HG ARG 44 1HG ARG 44 7.360 -9.709 -5.218 316 1HD ARG 44 2HD ARG 44 9.464 -10.979 -5.120 317 2HD ARG 44 1HD ARG 44 8.638 -12.362 -5.844 318 HE ARG 44 HE ARG 44 8.513 -9.837 -7.257 319 1HH1 ARG 44 1HH1 ARG 44 9.980 -13.041 -7.048 320 2HH1 ARG 44 2HH1 ARG 44 10.638 -12.981 -8.631 321 1HH2 ARG 44 1HH2 ARG 44 9.390 -9.788 -9.421 322 2HH2 ARG 44 2HH2 ARG 44 10.271 -11.137 -10.003 323 H PHE 45 H PHE 45 4.524 -12.879 -2.681 324 HA PHE 45 HA PHE 45 3.191 -13.212 -5.166 325 1HB PHE 45 2HB PHE 45 3.768 -15.134 -3.717 326 2HB PHE 45 1HB PHE 45 2.633 -14.553 -2.508 327 HD1 PHE 45 1HD PHE 45 2.910 -15.924 -5.924 328 HD2 PHE 45 2HD PHE 45 0.312 -15.061 -2.659 329 HE1 PHE 45 1HE PHE 45 1.119 -17.218 -7.007 330 HE2 PHE 45 2HE PHE 45 -1.479 -16.350 -3.741 331 HZ PHE 45 HZ PHE 45 -1.072 -17.431 -5.919 332 H ILE 46 H ILE 46 2.424 -11.369 -2.377 333 HA ILE 46 HA ILE 46 -0.406 -11.368 -2.953 334 HB ILE 46 HB ILE 46 0.563 -11.173 -0.580 335 1HG1 ILE 46 2HG1 ILE 46 -1.089 -9.419 0.171 336 2HG1 ILE 46 1HG1 ILE 46 -1.405 -9.093 -1.530 337 1HG2 ILE 46 1HG2 ILE 46 1.210 -8.968 0.222 338 2HG2 ILE 46 2HG2 ILE 46 1.128 -8.343 -1.423 339 3HG2 ILE 46 3HG2 ILE 46 2.325 -9.572 -1.005 340 1HD1 ILE 46 1HD1 ILE 46 -2.156 -11.401 -1.823 341 2HD1 ILE 46 2HD1 ILE 46 -3.069 -10.570 -0.549 342 3HD1 ILE 46 3HD1 ILE 46 -1.780 -11.701 -0.123 343 H ALA 47 H ALA 47 2.332 -9.837 -4.128 344 HA ALA 47 HA ALA 47 1.449 -7.209 -4.525 345 1HB ALA 47 1HB ALA 47 3.438 -8.674 -6.256 346 2HB ALA 47 2HB ALA 47 3.817 -7.900 -4.724 347 3HB ALA 47 3HB ALA 47 3.267 -6.925 -6.091 348 HA PRO 48 HA PRO 48 -0.069 -8.521 -9.000 349 1HB PRO 48 2HB PRO 48 -1.050 -11.124 -9.055 350 2HB PRO 48 1HB PRO 48 0.494 -10.612 -9.738 351 1HG PRO 48 2HG PRO 48 -0.074 -11.901 -7.105 352 2HG PRO 48 1HG PRO 48 1.266 -12.189 -8.229 353 1HD PRO 48 2HD PRO 48 1.598 -10.738 -6.015 354 2HD PRO 48 1HD PRO 48 2.420 -10.296 -7.524 355 H PHE 49 H PHE 49 -1.295 -9.969 -6.084 356 HA PHE 49 HA PHE 49 -4.083 -9.708 -6.750 357 1HB PHE 49 2HB PHE 49 -3.184 -11.392 -5.126 358 2HB PHE 49 1HB PHE 49 -2.788 -10.079 -4.030 359 HD1 PHE 49 1HD PHE 49 -4.602 -8.841 -2.893 360 HD2 PHE 49 2HD PHE 49 -5.392 -12.182 -5.382 361 HE1 PHE 49 1HE PHE 49 -6.846 -9.034 -1.910 362 HE2 PHE 49 2HE PHE 49 -7.645 -12.381 -4.400 363 HZ PHE 49 HZ PHE 49 -8.364 -10.808 -2.669 364 H PHE 50 H PHE 50 -1.717 -7.898 -4.924 365 HA PHE 50 HA PHE 50 -3.406 -5.853 -3.952 366 1HB PHE 50 2HB PHE 50 -1.128 -6.493 -3.073 367 2HB PHE 50 1HB PHE 50 -0.422 -5.777 -4.507 368 HD1 PHE 50 1HD PHE 50 -2.514 -4.989 -1.550 369 HD2 PHE 50 2HD PHE 50 0.195 -3.534 -4.483 370 HE1 PHE 50 1HE PHE 50 -2.350 -2.863 -0.333 371 HE2 PHE 50 2HE PHE 50 0.360 -1.403 -3.277 372 HZ PHE 50 HZ PHE 50 -0.910 -1.061 -1.198 373 H ALA 51 H ALA 51 -1.588 -6.321 -6.898 374 HA ALA 51 HA ALA 51 -2.074 -3.754 -8.033 375 1HB ALA 51 1HB ALA 51 -0.265 -5.213 -8.838 376 2HB ALA 51 2HB ALA 51 -1.350 -4.759 -10.149 377 3HB ALA 51 3HB ALA 51 -1.461 -6.365 -9.433 378 H ASP 52 H ASP 52 -3.822 -6.757 -7.962 379 HA ASP 52 HA ASP 52 -5.820 -6.065 -9.886 380 1HB ASP 52 2HB ASP 52 -5.254 -8.374 -9.022 381 2HB ASP 52 1HB ASP 52 -6.059 -7.936 -7.558 382 H LEU 53 H LEU 53 -5.406 -5.789 -6.497 383 HA LEU 53 HA LEU 53 -7.854 -4.663 -5.707 384 1HB LEU 53 2HB LEU 53 -5.465 -5.278 -4.515 385 2HB LEU 53 1HB LEU 53 -5.428 -3.533 -4.477 386 HG LEU 53 HG LEU 53 -7.465 -5.331 -3.323 387 1HD1 LEU 53 1HD1 LEU 53 -5.408 -5.331 -2.048 388 2HD1 LEU 53 2HD1 LEU 53 -6.628 -4.448 -1.129 389 3HD1 LEU 53 3HD1 LEU 53 -5.381 -3.568 -2.012 390 1HD2 LEU 53 1HD2 LEU 53 -7.352 -2.316 -3.205 391 2HD2 LEU 53 2HD2 LEU 53 -8.442 -3.307 -2.242 392 3HD2 LEU 53 3HD2 LEU 53 -8.585 -3.297 -4.004 393 H ALA 54 H ALA 54 -4.894 -3.170 -6.986 394 HA ALA 54 HA ALA 54 -5.752 -0.466 -7.029 395 1HB ALA 54 1HB ALA 54 -3.728 -1.827 -8.814 396 2HB ALA 54 2HB ALA 54 -3.389 -1.110 -7.239 397 3HB ALA 54 3HB ALA 54 -3.890 -0.087 -8.586 398 H LYS 55 H LYS 55 -6.119 -3.075 -9.183 399 HA LYS 55 HA LYS 55 -7.298 -1.781 -11.423 400 1HB LYS 55 2HB LYS 55 -6.329 -3.906 -11.678 401 2HB LYS 55 1HB LYS 55 -7.173 -4.529 -10.282 402 1HG LYS 55 2HG LYS 55 -9.270 -4.430 -11.617 403 2HG LYS 55 1HG LYS 55 -8.270 -4.019 -13.029 404 1HD LYS 55 2HD LYS 55 -7.025 -6.027 -12.843 405 2HD LYS 55 1HD LYS 55 -7.716 -6.384 -11.269 406 1HE LYS 55 2HE LYS 55 -9.913 -6.651 -12.354 407 2HE LYS 55 1HE LYS 55 -9.128 -6.416 -13.920 408 1HZ LYS 55 1HZ LYS 55 -8.401 -8.507 -11.961 409 2HZ LYS 55 2HZ LYS 55 -7.757 -8.323 -13.510 410 3HZ LYS 55 3HZ LYS 55 -9.381 -8.770 -13.317 411 H LYS 56 H LYS 56 -8.461 -2.905 -8.351 412 HA LYS 56 HA LYS 56 -11.261 -2.862 -9.072 413 1HB LYS 56 2HB LYS 56 -10.144 -4.446 -7.381 414 2HB LYS 56 1HB LYS 56 -10.036 -3.076 -6.302 415 1HG LYS 56 2HG LYS 56 -12.618 -4.234 -7.358 416 2HG LYS 56 1HG LYS 56 -11.906 -4.653 -5.808 417 1HD LYS 56 2HD LYS 56 -12.169 -2.288 -5.105 418 2HD LYS 56 1HD LYS 56 -12.909 -1.931 -6.665 419 1HE LYS 56 2HE LYS 56 -13.967 -3.875 -4.605 420 2HE LYS 56 1HE LYS 56 -14.605 -2.267 -4.921 421 1HZ LYS 56 1HZ LYS 56 -15.196 -2.975 -7.154 422 2HZ LYS 56 2HZ LYS 56 -15.919 -3.969 -6.017 423 3HZ LYS 56 3HZ LYS 56 -14.574 -4.519 -6.875 424 H LEU 57 H LEU 57 -8.969 -0.858 -7.200 425 HA LEU 57 HA LEU 57 -10.977 1.217 -7.161 426 1HB LEU 57 2HB LEU 57 -8.695 0.646 -5.327 427 2HB LEU 57 1HB LEU 57 -9.594 2.151 -5.304 428 HG LEU 57 HG LEU 57 -10.834 -0.541 -4.931 429 1HD1 LEU 57 1HD1 LEU 57 -9.269 -0.050 -3.076 430 2HD1 LEU 57 2HD1 LEU 57 -10.938 0.043 -2.526 431 3HD1 LEU 57 3HD1 LEU 57 -10.036 1.523 -2.845 432 1HD2 LEU 57 1HD2 LEU 57 -12.394 1.142 -5.707 433 2HD2 LEU 57 2HD2 LEU 57 -11.882 2.244 -4.433 434 3HD2 LEU 57 3HD2 LEU 57 -12.729 0.755 -4.021 435 HA PRO 58 HA PRO 58 -8.164 2.598 -10.378 436 1HB PRO 58 2HB PRO 58 -9.771 4.654 -11.221 437 2HB PRO 58 1HB PRO 58 -9.947 2.972 -11.734 438 1HG PRO 58 2HG PRO 58 -11.432 4.471 -9.609 439 2HG PRO 58 1HG PRO 58 -12.056 3.338 -10.826 440 1HD PRO 58 2HD PRO 58 -11.653 2.563 -8.277 441 2HD PRO 58 1HD PRO 58 -11.337 1.481 -9.645 442 H ASN 59 H ASN 59 -9.760 5.077 -8.283 443 HA ASN 59 HA ASN 59 -7.526 6.825 -8.779 444 1HB ASN 59 2HB ASN 59 -10.203 7.240 -7.523 445 2HB ASN 59 1HB ASN 59 -8.924 8.441 -7.465 446 1HD2 ASN 59 1HD2 ASN 59 -10.098 9.931 -8.647 447 2HD2 ASN 59 2HD2 ASN 59 -10.419 9.768 -10.328 448 H VAL 60 H VAL 60 -7.719 4.424 -6.799 449 HA VAL 60 HA VAL 60 -6.826 5.879 -4.436 450 HB VAL 60 HB VAL 60 -7.539 2.942 -4.804 451 1HG1 VAL 60 1HG1 VAL 60 -7.280 2.739 -2.373 452 2HG1 VAL 60 2HG1 VAL 60 -6.697 4.409 -2.301 453 3HG1 VAL 60 3HG1 VAL 60 -5.762 3.182 -3.150 454 1HG2 VAL 60 1HG2 VAL 60 -9.478 4.426 -4.802 455 2HG2 VAL 60 2HG2 VAL 60 -8.925 5.157 -3.297 456 3HG2 VAL 60 3HG2 VAL 60 -9.428 3.471 -3.319 457 H LEU 61 H LEU 61 -4.672 5.791 -3.773 458 HA LEU 61 HA LEU 61 -2.879 4.735 -5.745 459 1HB LEU 61 2HB LEU 61 -2.562 6.539 -3.382 460 2HB LEU 61 1HB LEU 61 -1.189 5.846 -4.192 461 HG LEU 61 HG LEU 61 -1.474 8.099 -4.931 462 1HD1 LEU 61 1HD1 LEU 61 -2.387 6.224 -7.086 463 2HD1 LEU 61 2HD1 LEU 61 -0.725 6.574 -6.619 464 3HD1 LEU 61 3HD1 LEU 61 -1.728 7.838 -7.330 465 1HD2 LEU 61 1HD2 LEU 61 -4.284 7.350 -5.706 466 2HD2 LEU 61 2HD2 LEU 61 -3.495 8.887 -6.062 467 3HD2 LEU 61 3HD2 LEU 61 -3.813 8.425 -4.389 468 H PHE 62 H PHE 62 -2.013 2.859 -5.548 469 HA PHE 62 HA PHE 62 -1.649 1.739 -2.869 470 1HB PHE 62 2HB PHE 62 -1.781 0.312 -5.500 471 2HB PHE 62 1HB PHE 62 -1.547 -0.442 -3.954 472 HD1 PHE 62 1HD PHE 62 -3.321 -0.935 -2.482 473 HD2 PHE 62 2HD PHE 62 -4.062 1.361 -5.978 474 HE1 PHE 62 1HE PHE 62 -5.731 -1.174 -2.121 475 HE2 PHE 62 2HE PHE 62 -6.479 1.126 -5.626 476 HZ PHE 62 HZ PHE 62 -7.318 -0.142 -3.700 477 H LEU 63 H LEU 63 0.282 1.260 -2.319 478 HA LEU 63 HA LEU 63 2.457 1.649 -4.244 479 1HB LEU 63 2HB LEU 63 2.316 2.704 -1.436 480 2HB LEU 63 1HB LEU 63 3.806 2.570 -2.326 481 HG LEU 63 HG LEU 63 2.814 4.152 -4.027 482 1HD1 LEU 63 1HD1 LEU 63 0.464 3.902 -3.537 483 2HD1 LEU 63 2HD1 LEU 63 0.965 5.583 -3.341 484 3HD1 LEU 63 3HD1 LEU 63 0.714 4.565 -1.923 485 1HD2 LEU 63 1HD2 LEU 63 4.423 4.896 -2.390 486 2HD2 LEU 63 2HD2 LEU 63 3.135 5.155 -1.209 487 3HD2 LEU 63 3HD2 LEU 63 3.209 6.145 -2.667 488 H LYS 64 H LYS 64 4.064 0.282 -4.193 489 HA LYS 64 HA LYS 64 4.009 -1.879 -2.172 490 1HB LYS 64 2HB LYS 64 3.698 -2.437 -4.656 491 2HB LYS 64 1HB LYS 64 5.333 -1.856 -4.900 492 1HG LYS 64 2HG LYS 64 5.336 -4.263 -4.795 493 2HG LYS 64 1HG LYS 64 6.150 -3.620 -3.368 494 1HD LYS 64 2HD LYS 64 4.158 -3.987 -2.022 495 2HD LYS 64 1HD LYS 64 3.267 -4.529 -3.448 496 1HE LYS 64 2HE LYS 64 4.786 -6.430 -3.669 497 2HE LYS 64 1HE LYS 64 5.706 -5.832 -2.292 498 1HZ LYS 64 1HZ LYS 64 3.854 -6.158 -0.875 499 2HZ LYS 64 2HZ LYS 64 4.153 -7.633 -1.608 500 3HZ LYS 64 3HZ LYS 64 2.845 -6.673 -2.091 501 H VAL 65 H VAL 65 5.549 -1.495 -0.663 502 HA VAL 65 HA VAL 65 7.953 -0.091 -1.555 503 HB VAL 65 HB VAL 65 6.550 0.208 1.113 504 1HG1 VAL 65 1HG1 VAL 65 8.238 1.923 1.597 505 2HG1 VAL 65 2HG1 VAL 65 9.048 1.553 0.072 506 3HG1 VAL 65 3HG1 VAL 65 8.986 0.343 1.348 507 1HG2 VAL 65 1HG2 VAL 65 6.904 2.157 -1.162 508 2HG2 VAL 65 2HG2 VAL 65 6.176 2.533 0.398 509 3HG2 VAL 65 3HG2 VAL 65 5.395 1.379 -0.688 510 H ASP 66 H ASP 66 9.591 -1.319 -1.460 511 HA ASP 66 HA ASP 66 9.699 -3.630 0.238 512 1HB ASP 66 2HB ASP 66 10.636 -3.577 -2.075 513 2HB ASP 66 1HB ASP 66 11.768 -2.365 -1.486 514 H THR 67 H THR 67 10.460 -3.581 2.218 515 HA THR 67 HA THR 67 11.223 -1.085 3.333 516 HB THR 67 HB THR 67 9.796 -2.587 4.595 517 HG1 THR 67 1HG THR 67 12.260 -1.750 5.582 518 1HG2 THR 67 1HG2 THR 67 12.211 -4.380 4.737 519 2HG2 THR 67 2HG2 THR 67 10.708 -4.701 3.862 520 3HG2 THR 67 3HG2 THR 67 10.700 -4.610 5.620 521 H ASP 68 H ASP 68 13.124 -3.422 1.816 522 HA ASP 68 HA ASP 68 15.444 -2.978 3.492 523 1HB ASP 68 2HB ASP 68 15.154 -5.039 2.102 524 2HB ASP 68 1HB ASP 68 15.309 -4.042 0.676 525 H GLU 69 H GLU 69 14.073 -1.846 0.515 526 HA GLU 69 HA GLU 69 16.044 -0.142 -0.424 527 1HB GLU 69 2HB GLU 69 13.055 0.105 -0.530 528 2HB GLU 69 1HB GLU 69 14.204 0.916 -1.570 529 1HG GLU 69 2HG GLU 69 13.810 -2.057 -1.404 530 2HG GLU 69 1HG GLU 69 13.123 -1.014 -2.647 531 H LEU 70 H LEU 70 13.051 0.782 1.325 532 HA LEU 70 HA LEU 70 14.328 3.173 2.292 533 1HB LEU 70 2HB LEU 70 11.530 2.133 2.115 534 2HB LEU 70 1HB LEU 70 11.915 3.530 3.066 535 HG LEU 70 HG LEU 70 12.723 4.624 0.904 536 1HD1 LEU 70 1HD1 LEU 70 11.374 2.262 -0.380 537 2HD1 LEU 70 2HD1 LEU 70 13.099 2.626 -0.409 538 3HD1 LEU 70 3HD1 LEU 70 11.959 3.708 -1.208 539 1HD2 LEU 70 1HD2 LEU 70 9.842 3.777 1.040 540 2HD2 LEU 70 2HD2 LEU 70 10.485 5.126 0.102 541 3HD2 LEU 70 3HD2 LEU 70 10.571 5.159 1.862 542 H LYS 71 H LYS 71 15.562 1.339 3.550 543 HA LYS 71 HA LYS 71 14.348 -0.245 5.513 544 1HB LYS 71 2HB LYS 71 16.725 -0.254 4.427 545 2HB LYS 71 1HB LYS 71 17.146 0.844 5.711 546 1HG LYS 71 2HG LYS 71 16.187 -2.006 6.124 547 2HG LYS 71 1HG LYS 71 17.870 -1.537 6.036 548 1HD LYS 71 2HD LYS 71 17.471 -1.758 8.315 549 2HD LYS 71 1HD LYS 71 17.302 -0.027 8.064 550 1HE LYS 71 2HE LYS 71 14.847 -0.334 7.956 551 2HE LYS 71 1HE LYS 71 15.076 -2.047 8.294 552 1HZ LYS 71 1HZ LYS 71 15.956 0.137 10.090 553 2HZ LYS 71 2HZ LYS 71 15.931 -1.515 10.466 554 3HZ LYS 71 3HZ LYS 71 14.501 -0.669 10.221 555 H SER 72 H SER 72 15.971 2.943 5.899 556 HA SER 72 HA SER 72 15.243 2.989 8.669 557 1HB SER 72 2HB SER 72 16.508 5.081 6.934 558 2HB SER 72 1HB SER 72 16.299 5.243 8.678 559 HG SER 72 HG SER 72 18.016 3.540 7.222 560 H VAL 73 H VAL 73 14.002 4.397 5.739 561 HA VAL 73 HA VAL 73 12.280 6.216 7.054 562 HB VAL 73 HB VAL 73 12.054 5.078 4.252 563 1HG1 VAL 73 1HG1 VAL 73 10.593 6.996 3.784 564 2HG1 VAL 73 2HG1 VAL 73 10.678 7.469 5.480 565 3HG1 VAL 73 3HG1 VAL 73 9.898 5.952 5.025 566 1HG2 VAL 73 1HG2 VAL 73 13.191 7.670 5.275 567 2HG2 VAL 73 2HG2 VAL 73 13.032 7.228 3.579 568 3HG2 VAL 73 3HG2 VAL 73 14.113 6.316 4.631 569 H ALA 74 H ALA 74 11.759 2.903 5.852 570 HA ALA 74 HA ALA 74 9.034 2.802 6.505 571 1HB ALA 74 1HB ALA 74 9.257 0.373 6.342 572 2HB ALA 74 2HB ALA 74 11.010 0.515 6.430 573 3HB ALA 74 3HB ALA 74 10.142 1.161 5.037 574 H SER 75 H SER 75 11.935 2.015 8.400 575 HA SER 75 HA SER 75 10.521 1.101 10.624 576 1HB SER 75 2HB SER 75 13.314 2.218 10.420 577 2HB SER 75 1HB SER 75 12.656 1.388 11.839 578 HG SER 75 HG SER 75 12.066 -0.202 9.965 579 H ASP 76 H ASP 76 11.311 4.352 9.603 580 HA ASP 76 HA ASP 76 10.710 5.668 12.053 581 1HB ASP 76 2HB ASP 76 11.865 6.796 10.153 582 2HB ASP 76 1HB ASP 76 10.367 6.737 9.232 583 H TRP 77 H TRP 77 8.759 4.264 9.596 584 HA TRP 77 HA TRP 77 6.335 5.380 10.639 585 1HB TRP 77 2HB TRP 77 6.964 3.618 8.323 586 2HB TRP 77 1HB TRP 77 5.291 3.917 8.804 587 HD1 TRP 77 HD TRP 77 8.417 5.946 7.698 588 HE1 TRP 77 1HE TRP 77 7.602 8.040 6.455 589 HE3 TRP 77 3HE TRP 77 3.395 5.300 8.259 590 HZ2 TRP 77 2HZ TRP 77 5.141 9.243 5.772 591 HZ3 TRP 77 3HZ TRP 77 1.868 6.960 7.275 592 HH2 TRP 77 HH TRP 77 2.726 8.892 6.058 593 H ALA 78 H ALA 78 8.267 3.286 11.835 594 HA ALA 78 HA ALA 78 8.192 1.686 13.387 595 1HB ALA 78 1HB ALA 78 6.170 2.790 14.272 596 2HB ALA 78 2HB ALA 78 6.082 1.037 14.460 597 3HB ALA 78 3HB ALA 78 5.178 1.831 13.173 598 H ILE 79 H ILE 79 7.998 1.208 10.410 599 HA ILE 79 HA ILE 79 6.790 -1.405 10.319 600 HB ILE 79 HB ILE 79 8.329 0.091 8.197 601 1HG1 ILE 79 2HG1 ILE 79 6.281 1.265 8.778 602 2HG1 ILE 79 1HG1 ILE 79 6.109 0.526 7.193 603 1HG2 ILE 79 1HG2 ILE 79 7.360 -1.527 6.617 604 2HG2 ILE 79 2HG2 ILE 79 6.633 -2.400 7.965 605 3HG2 ILE 79 3HG2 ILE 79 8.390 -2.318 7.813 606 1HD1 ILE 79 1HD1 ILE 79 4.083 0.295 8.490 607 2HD1 ILE 79 2HD1 ILE 79 4.970 -0.517 9.778 608 3HD1 ILE 79 3HD1 ILE 79 4.807 -1.286 8.198 609 H GLN 80 H GLN 80 7.761 -3.035 11.012 610 HA GLN 80 HA GLN 80 10.456 -3.669 10.190 611 1HB GLN 80 2HB GLN 80 10.777 -2.598 12.370 612 2HB GLN 80 1HB GLN 80 9.577 -3.653 13.085 613 1HG GLN 80 2HG GLN 80 11.020 -5.566 12.692 614 2HG GLN 80 1HG GLN 80 12.215 -4.519 11.935 615 1HE2 GLN 80 1HE2 GLN 80 10.695 -5.444 14.904 616 2HE2 GLN 80 2HE2 GLN 80 11.853 -4.703 15.950 617 H ALA 81 H ALA 81 7.342 -4.519 11.516 618 HA ALA 81 HA ALA 81 7.714 -7.337 11.150 619 1HB ALA 81 1HB ALA 81 5.220 -5.709 11.689 620 2HB ALA 81 2HB ALA 81 6.223 -6.489 12.912 621 3HB ALA 81 3HB ALA 81 5.332 -7.468 11.747 622 H MET 82 H MET 82 7.493 -8.324 9.216 623 HA MET 82 HA MET 82 6.252 -6.772 7.068 624 1HB MET 82 2HB MET 82 8.557 -8.723 6.858 625 2HB MET 82 1HB MET 82 7.881 -7.726 5.608 626 1HG MET 82 2HG MET 82 8.670 -5.715 6.564 627 2HG MET 82 1HG MET 82 9.052 -6.539 8.078 628 1HE MET 82 1HE MET 82 12.207 -8.554 7.210 629 2HE MET 82 2HE MET 82 10.544 -9.139 7.189 630 3HE MET 82 3HE MET 82 11.084 -8.053 8.478 631 HA PRO 83 HA PRO 83 5.500 -6.988 5.271 632 1HB PRO 83 2HB PRO 83 3.367 -7.450 3.739 633 2HB PRO 83 1HB PRO 83 4.906 -8.259 3.430 634 1HG PRO 83 2HG PRO 83 2.417 -9.338 4.636 635 2HG PRO 83 1HG PRO 83 3.649 -10.159 3.668 636 1HD PRO 83 2HD PRO 83 3.398 -10.182 6.493 637 2HD PRO 83 1HD PRO 83 4.747 -10.826 5.539 638 H THR 84 H THR 84 4.215 -5.140 5.334 639 HA THR 84 HA THR 84 1.919 -5.268 7.128 640 HB THR 84 HB THR 84 3.904 -3.118 6.786 641 HG1 THR 84 1HG THR 84 4.481 -4.731 8.384 642 1HG2 THR 84 1HG2 THR 84 1.332 -2.979 8.362 643 2HG2 THR 84 2HG2 THR 84 1.727 -2.053 6.917 644 3HG2 THR 84 3HG2 THR 84 2.600 -1.754 8.418 645 H PHE 85 H PHE 85 0.026 -4.658 6.280 646 HA PHE 85 HA PHE 85 0.025 -3.133 3.823 647 1HB PHE 85 2HB PHE 85 -2.153 -4.674 5.263 648 2HB PHE 85 1HB PHE 85 -2.278 -3.882 3.711 649 HD1 PHE 85 1HD PHE 85 -1.444 -4.904 1.715 650 HD2 PHE 85 2HD PHE 85 -0.833 -6.723 5.512 651 HE1 PHE 85 1HE PHE 85 -0.746 -6.983 0.608 652 HE2 PHE 85 2HE PHE 85 -0.131 -8.795 4.416 653 HZ PHE 85 HZ PHE 85 -0.088 -8.932 1.960 654 H MET 86 H MET 86 -0.389 -1.050 4.154 655 HA MET 86 HA MET 86 -1.758 -0.321 6.640 656 1HB MET 86 2HB MET 86 0.607 0.193 6.721 657 2HB MET 86 1HB MET 86 0.469 1.108 5.224 658 1HG MET 86 2HG MET 86 -0.923 2.734 6.337 659 2HG MET 86 1HG MET 86 -0.863 1.838 7.844 660 1HE MET 86 1HE MET 86 -0.007 3.953 9.134 661 2HE MET 86 2HE MET 86 -0.070 4.893 7.641 662 3HE MET 86 3HE MET 86 1.380 4.920 8.642 663 H PHE 87 H PHE 87 -3.594 0.668 6.321 664 HA PHE 87 HA PHE 87 -4.171 1.707 3.699 665 1HB PHE 87 2HB PHE 87 -5.814 0.554 5.914 666 2HB PHE 87 1HB PHE 87 -6.477 1.331 4.495 667 HD1 PHE 87 1HD PHE 87 -6.771 0.088 2.497 668 HD2 PHE 87 2HD PHE 87 -4.418 -1.532 5.649 669 HE1 PHE 87 1HE PHE 87 -6.702 -2.073 1.328 670 HE2 PHE 87 2HE PHE 87 -4.343 -3.699 4.482 671 HZ PHE 87 HZ PHE 87 -5.488 -3.970 2.321 672 H LEU 88 H LEU 88 -4.180 3.869 3.678 673 HA LEU 88 HA LEU 88 -5.075 5.144 6.117 674 1HB LEU 88 2HB LEU 88 -3.314 6.415 3.982 675 2HB LEU 88 1HB LEU 88 -3.848 7.191 5.440 676 HG LEU 88 HG LEU 88 -2.433 5.452 6.689 677 1HD1 LEU 88 1HD1 LEU 88 -1.305 5.074 3.929 678 2HD1 LEU 88 2HD1 LEU 88 -2.122 3.853 4.908 679 3HD1 LEU 88 3HD1 LEU 88 -0.566 4.511 5.423 680 1HD2 LEU 88 1HD2 LEU 88 -0.387 6.758 6.346 681 2HD2 LEU 88 2HD2 LEU 88 -1.804 7.795 6.473 682 3HD2 LEU 88 3HD2 LEU 88 -1.089 7.471 4.895 683 H LYS 89 H LYS 89 -6.237 7.252 5.564 684 HA LYS 89 HA LYS 89 -7.382 7.262 2.885 685 1HB LYS 89 2HB LYS 89 -9.014 6.213 4.250 686 2HB LYS 89 1HB LYS 89 -8.850 7.452 5.486 687 1HG LYS 89 2HG LYS 89 -9.867 9.083 4.027 688 2HG LYS 89 1HG LYS 89 -9.941 7.904 2.710 689 1HD LYS 89 2HD LYS 89 -11.438 6.515 4.008 690 2HD LYS 89 1HD LYS 89 -11.307 7.614 5.378 691 1HE LYS 89 2HE LYS 89 -12.406 8.377 2.682 692 2HE LYS 89 1HE LYS 89 -13.406 7.858 4.033 693 1HZ LYS 89 1HZ LYS 89 -12.559 9.753 5.308 694 2HZ LYS 89 2HZ LYS 89 -13.367 10.211 3.920 695 3HZ LYS 89 3HZ LYS 89 -11.705 10.345 3.964 696 H GLU 90 H GLU 90 -6.896 9.007 1.982 697 HA GLU 90 HA GLU 90 -6.547 11.054 1.499 698 1HB GLU 90 2HB GLU 90 -8.129 11.616 3.971 699 2HB GLU 90 1HB GLU 90 -7.839 12.813 2.709 700 1HG GLU 90 2HG GLU 90 -9.040 11.380 1.101 701 2HG GLU 90 1HG GLU 90 -9.334 10.204 2.368 702 H GLY 91 H GLY 91 -4.711 9.647 3.274 703 1HA GLY 91 2HA GLY 91 -2.533 10.250 3.974 704 2HA GLY 91 1HA GLY 91 -3.092 11.898 4.210 705 H LYS 92 H LYS 92 -5.396 10.109 5.675 706 HA LYS 92 HA LYS 92 -3.993 10.181 8.251 707 1HB LYS 92 2HB LYS 92 -5.977 11.700 7.975 708 2HB LYS 92 1HB LYS 92 -6.981 10.308 7.650 709 1HG LYS 92 2HG LYS 92 -5.565 10.768 10.284 710 2HG LYS 92 1HG LYS 92 -7.198 11.321 9.949 711 1HD LYS 92 2HD LYS 92 -7.919 9.020 9.610 712 2HD LYS 92 1HD LYS 92 -6.267 8.456 9.855 713 1HE LYS 92 2HE LYS 92 -6.319 9.319 12.146 714 2HE LYS 92 1HE LYS 92 -7.969 9.882 11.897 715 1HZ LYS 92 1HZ LYS 92 -7.093 7.061 11.683 716 2HZ LYS 92 2HZ LYS 92 -8.687 7.613 11.585 717 3HZ LYS 92 3HZ LYS 92 -7.850 7.706 13.041 718 H ILE 93 H ILE 93 -3.812 8.317 9.412 719 HA ILE 93 HA ILE 93 -3.949 5.816 8.088 720 HB ILE 93 HB ILE 93 -3.609 6.397 11.043 721 1HG1 ILE 93 2HG1 ILE 93 -1.523 5.827 8.945 722 2HG1 ILE 93 1HG1 ILE 93 -1.898 7.443 9.510 723 1HG2 ILE 93 1HG2 ILE 93 -2.969 3.890 9.469 724 2HG2 ILE 93 2HG2 ILE 93 -4.252 4.067 10.666 725 3HG2 ILE 93 3HG2 ILE 93 -2.560 4.167 11.164 726 1HD1 ILE 93 1HD1 ILE 93 -1.192 6.769 11.779 727 2HD1 ILE 93 2HD1 ILE 93 0.097 6.587 10.588 728 3HD1 ILE 93 3HD1 ILE 93 -0.790 5.172 11.156 729 H LEU 94 H LEU 94 -5.645 4.429 7.840 730 HA LEU 94 HA LEU 94 -7.916 4.724 9.627 731 1HB LEU 94 2HB LEU 94 -7.574 3.306 7.026 732 2HB LEU 94 1HB LEU 94 -8.972 3.088 8.024 733 HG LEU 94 HG LEU 94 -8.106 5.566 6.563 734 1HD1 LEU 94 1HD1 LEU 94 -10.306 5.275 5.485 735 2HD1 LEU 94 2HD1 LEU 94 -10.520 3.772 6.382 736 3HD1 LEU 94 3HD1 LEU 94 -9.215 3.923 5.203 737 1HD2 LEU 94 1HD2 LEU 94 -8.970 6.260 8.755 738 2HD2 LEU 94 2HD2 LEU 94 -10.398 5.256 8.514 739 3HD2 LEU 94 3HD2 LEU 94 -10.121 6.653 7.479 740 H ASP 95 H ASP 95 -5.694 2.201 8.305 741 HA ASP 95 HA ASP 95 -5.881 0.794 10.650 742 1HB ASP 95 2HB ASP 95 -6.707 -1.304 9.444 743 2HB ASP 95 1HB ASP 95 -7.905 -0.206 10.124 744 H LYS 96 H LYS 96 -4.745 -1.177 10.589 745 HA LYS 96 HA LYS 96 -2.524 -1.088 8.697 746 1HB LYS 96 2HB LYS 96 -2.223 0.473 10.620 747 2HB LYS 96 1HB LYS 96 -2.456 -0.856 11.710 748 1HG LYS 96 2HG LYS 96 -0.241 -0.579 9.768 749 2HG LYS 96 1HG LYS 96 -0.154 0.004 11.428 750 1HD LYS 96 2HD LYS 96 -0.831 -2.520 11.978 751 2HD LYS 96 1HD LYS 96 -0.134 -2.825 10.392 752 1HE LYS 96 2HE LYS 96 1.260 -1.537 12.745 753 2HE LYS 96 1HE LYS 96 1.519 -3.174 12.164 754 1HZ LYS 96 1HZ LYS 96 2.144 -0.685 10.651 755 2HZ LYS 96 2HZ LYS 96 2.519 -2.288 10.161 756 3HZ LYS 96 3HZ LYS 96 3.216 -1.618 11.531 757 H VAL 97 H VAL 97 -2.078 -3.202 8.162 758 HA VAL 97 HA VAL 97 -2.922 -5.360 9.987 759 HB VAL 97 HB VAL 97 -3.196 -5.338 6.958 760 1HG1 VAL 97 1HG1 VAL 97 -2.701 -7.565 7.803 761 2HG1 VAL 97 2HG1 VAL 97 -4.365 -7.462 7.221 762 3HG1 VAL 97 3HG1 VAL 97 -4.034 -7.432 8.951 763 1HG2 VAL 97 1HG2 VAL 97 -5.617 -5.379 7.347 764 2HG2 VAL 97 2HG2 VAL 97 -4.876 -3.917 8.001 765 3HG2 VAL 97 3HG2 VAL 97 -5.339 -5.227 9.083 766 H VAL 98 H VAL 98 -1.394 -6.966 10.258 767 HA VAL 98 HA VAL 98 0.988 -6.837 8.549 768 HB VAL 98 HB VAL 98 0.795 -7.653 11.410 769 1HG1 VAL 98 1HG1 VAL 98 3.227 -7.426 9.617 770 2HG1 VAL 98 2HG1 VAL 98 2.545 -8.919 10.259 771 3HG1 VAL 98 3HG1 VAL 98 3.285 -7.748 11.350 772 1HG2 VAL 98 1HG2 VAL 98 2.178 -5.647 11.885 773 2HG2 VAL 98 2HG2 VAL 98 0.599 -5.259 11.207 774 3HG2 VAL 98 3HG2 VAL 98 2.035 -5.199 10.188 775 H GLY 99 H GLY 99 1.550 -8.647 7.535 776 1HA GLY 99 2HA GLY 99 1.815 -11.069 7.462 777 2HA GLY 99 1HA GLY 99 0.350 -11.200 8.422 778 H ALA 100 H ALA 100 1.471 -11.778 5.424 779 HA ALA 100 HA ALA 100 -0.859 -10.708 4.017 780 1HB ALA 100 1HB ALA 100 1.558 -12.155 2.956 781 2HB ALA 100 2HB ALA 100 1.349 -10.406 2.995 782 3HB ALA 100 3HB ALA 100 0.285 -11.400 1.998 783 H LYS 101 H LYS 101 -2.535 -11.904 4.422 784 HA LYS 101 HA LYS 101 -2.459 -14.582 3.371 785 1HB LYS 101 2HB LYS 101 -4.067 -13.496 5.682 786 2HB LYS 101 1HB LYS 101 -4.490 -14.974 4.838 787 1HG LYS 101 2HG LYS 101 -2.356 -15.989 5.556 788 2HG LYS 101 1HG LYS 101 -1.925 -14.473 6.356 789 1HD LYS 101 2HD LYS 101 -3.737 -14.695 7.773 790 2HD LYS 101 1HD LYS 101 -4.268 -16.147 6.913 791 1HE LYS 101 2HE LYS 101 -1.635 -15.864 8.380 792 2HE LYS 101 1HE LYS 101 -3.045 -16.677 9.044 793 1HZ LYS 101 1HZ LYS 101 -2.915 -18.283 7.199 794 2HZ LYS 101 2HZ LYS 101 -1.502 -18.253 8.105 795 3HZ LYS 101 3HZ LYS 101 -1.520 -17.525 6.617 796 H LYS 102 H LYS 102 -4.099 -14.928 1.799 797 HA LYS 102 HA LYS 102 -4.998 -12.614 0.559 798 1HB LYS 102 2HB LYS 102 -4.680 -14.799 -0.584 799 2HB LYS 102 1HB LYS 102 -6.119 -15.383 0.255 800 1HG LYS 102 2HG LYS 102 -7.443 -13.686 -0.770 801 2HG LYS 102 1HG LYS 102 -6.033 -13.044 -1.613 802 1HD LYS 102 2HD LYS 102 -7.287 -14.391 -3.183 803 2HD LYS 102 1HD LYS 102 -5.817 -15.264 -2.766 804 1HE LYS 102 2HE LYS 102 -7.098 -16.632 -1.173 805 2HE LYS 102 1HE LYS 102 -8.552 -15.738 -1.586 806 1HZ LYS 102 1HZ LYS 102 -6.960 -17.414 -3.447 807 2HZ LYS 102 2HZ LYS 102 -8.329 -16.545 -3.874 808 3HZ LYS 102 3HZ LYS 102 -8.459 -17.817 -2.784 809 H ASP 103 H ASP 103 -6.611 -14.889 2.707 810 HA ASP 103 HA ASP 103 -9.209 -13.816 2.609 811 1HB ASP 103 2HB ASP 103 -8.692 -16.021 3.606 812 2HB ASP 103 1HB ASP 103 -7.870 -15.207 4.934 813 H GLU 104 H GLU 104 -6.461 -13.064 4.623 814 HA GLU 104 HA GLU 104 -7.801 -11.297 6.413 815 1HB GLU 104 2HB GLU 104 -5.616 -12.386 6.905 816 2HB GLU 104 1HB GLU 104 -4.880 -11.410 5.645 817 1HG GLU 104 2HG GLU 104 -4.343 -10.443 7.733 818 2HG GLU 104 1HG GLU 104 -5.506 -9.390 6.938 819 H LEU 105 H LEU 105 -6.006 -10.795 3.434 820 HA LEU 105 HA LEU 105 -6.202 -7.983 3.511 821 1HB LEU 105 2HB LEU 105 -4.673 -9.364 2.064 822 2HB LEU 105 1HB LEU 105 -6.053 -9.732 1.095 823 HG LEU 105 HG LEU 105 -6.415 -7.449 0.483 824 1HD1 LEU 105 1HD1 LEU 105 -4.768 -5.689 1.064 825 2HD1 LEU 105 2HD1 LEU 105 -3.961 -6.824 2.148 826 3HD1 LEU 105 3HD1 LEU 105 -5.615 -6.309 2.478 827 1HD2 LEU 105 1HD2 LEU 105 -4.921 -8.780 -0.887 828 2HD2 LEU 105 2HD2 LEU 105 -3.540 -8.254 0.077 829 3HD2 LEU 105 3HD2 LEU 105 -4.429 -7.088 -0.904 830 H GLN 106 H GLN 106 -7.991 -10.475 1.909 831 HA GLN 106 HA GLN 106 -10.092 -9.011 0.749 832 1HB GLN 106 2HB GLN 106 -10.071 -11.787 1.921 833 2HB GLN 106 1HB GLN 106 -11.494 -11.117 1.147 834 1HG GLN 106 2HG GLN 106 -8.830 -11.365 -0.226 835 2HG GLN 106 1HG GLN 106 -10.067 -12.621 -0.273 836 1HE2 GLN 106 1HE2 GLN 106 -9.219 -9.417 -1.289 837 2HE2 GLN 106 2HE2 GLN 106 -10.455 -9.250 -2.480 838 H SER 107 H SER 107 -9.731 -10.079 4.088 839 HA SER 107 HA SER 107 -12.336 -9.291 4.883 840 1HB SER 107 2HB SER 107 -10.941 -10.928 6.147 841 2HB SER 107 1HB SER 107 -9.816 -9.634 6.537 842 HG SER 107 HG SER 107 -11.014 -9.277 8.168 843 H THR 108 H THR 108 -9.200 -7.738 4.849 844 HA THR 108 HA THR 108 -10.064 -5.369 6.126 845 HB THR 108 HB THR 108 -7.686 -5.701 4.264 846 HG1 THR 108 1HG THR 108 -7.416 -7.246 5.851 847 1HG2 THR 108 1HG2 THR 108 -8.202 -3.824 6.606 848 2HG2 THR 108 2HG2 THR 108 -8.225 -3.370 4.906 849 3HG2 THR 108 3HG2 THR 108 -6.726 -3.902 5.651 850 H ILE 109 H ILE 109 -9.998 -6.490 2.786 851 HA ILE 109 HA ILE 109 -10.593 -3.993 1.628 852 HB ILE 109 HB ILE 109 -11.199 -6.774 0.551 853 1HG1 ILE 109 2HG1 ILE 109 -8.925 -4.856 -0.067 854 2HG1 ILE 109 1HG1 ILE 109 -8.801 -6.316 0.905 855 1HG2 ILE 109 1HG2 ILE 109 -11.225 -4.104 -0.862 856 2HG2 ILE 109 2HG2 ILE 109 -12.638 -5.087 -0.496 857 3HG2 ILE 109 3HG2 ILE 109 -11.433 -5.672 -1.646 858 1HD1 ILE 109 1HD1 ILE 109 -9.487 -6.182 -2.017 859 2HD1 ILE 109 2HD1 ILE 109 -9.362 -7.653 -1.054 860 3HD1 ILE 109 3HD1 ILE 109 -7.933 -6.655 -1.328 861 H ALA 110 H ALA 110 -12.698 -6.675 2.705 862 HA ALA 110 HA ALA 110 -15.136 -5.402 2.003 863 1HB ALA 110 1HB ALA 110 -16.210 -7.029 3.483 864 2HB ALA 110 2HB ALA 110 -14.638 -7.453 4.168 865 3HB ALA 110 3HB ALA 110 -14.991 -7.802 2.474 866 H LYS 111 H LYS 111 -13.131 -5.250 4.796 867 HA LYS 111 HA LYS 111 -14.657 -3.837 6.643 868 1HB LYS 111 2HB LYS 111 -12.349 -4.811 6.850 869 2HB LYS 111 1HB LYS 111 -11.855 -3.456 5.890 870 1HG LYS 111 2HG LYS 111 -12.466 -1.873 7.594 871 2HG LYS 111 1HG LYS 111 -13.069 -3.182 8.621 872 1HD LYS 111 2HD LYS 111 -10.827 -4.157 8.709 873 2HD LYS 111 1HD LYS 111 -10.221 -2.872 7.665 874 1HE LYS 111 2HE LYS 111 -11.409 -2.520 10.409 875 2HE LYS 111 1HE LYS 111 -9.694 -2.466 10.013 876 1HZ LYS 111 1HZ LYS 111 -11.735 -0.586 8.941 877 2HZ LYS 111 2HZ LYS 111 -10.068 -0.481 8.680 878 3HZ LYS 111 3HZ LYS 111 -10.697 -0.263 10.212 879 H HIS 112 H HIS 112 -12.712 -2.786 3.948 880 HA HIS 112 HA HIS 112 -13.253 0.005 4.343 881 1HB HIS 112 2HB HIS 112 -11.616 -1.554 2.429 882 2HB HIS 112 1HB HIS 112 -11.975 0.130 2.111 883 HD1 HIS 112 1HD HIS 112 -10.590 1.819 3.367 884 HD2 HIS 112 2HD HIS 112 -10.004 -2.035 4.742 885 HE1 HIS 112 1HE HIS 112 -8.600 1.943 4.906 886 HE2 HIS 112 2HE HIS 112 -8.409 -0.354 5.884 887 H LEU 113 H LEU 113 -14.961 -2.527 2.570 888 HA LEU 113 HA LEU 113 -15.776 -0.934 0.496 889 1HB LEU 113 2HB LEU 113 -16.702 -3.447 1.731 890 2HB LEU 113 1HB LEU 113 -17.425 -2.784 0.312 891 HG LEU 113 HG LEU 113 -14.673 -3.737 0.650 892 1HD1 LEU 113 1HD1 LEU 113 -16.943 -4.752 -1.044 893 2HD1 LEU 113 2HD1 LEU 113 -16.343 -5.512 0.423 894 3HD1 LEU 113 3HD1 LEU 113 -15.326 -5.453 -1.025 895 1HD2 LEU 113 1HD2 LEU 113 -14.371 -3.347 -1.785 896 2HD2 LEU 113 2HD2 LEU 113 -14.582 -1.872 -0.855 897 3HD2 LEU 113 3HD2 LEU 113 -15.925 -2.511 -1.806 898 H ALA 114 H ALA 114 -16.677 0.933 1.175 899 HA ALA 114 HA ALA 114 -19.331 0.760 2.304 900 1HB ALA 114 1HB ALA 114 -17.892 1.168 4.258 901 2HB ALA 114 2HB ALA 114 -18.871 2.591 3.892 902 3HB ALA 114 3HB ALA 114 -17.169 2.550 3.435
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