NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7790 | 1l1p | 5298 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -19.876 9.650 0.964 2 2H GLY 1 HT2 GLY 1 -19.570 10.457 2.418 3 3H GLY 1 HT3 GLY 1 -18.736 9.032 2.051 4 1HA GLY 1 HA1 GLY 1 -18.377 11.735 0.951 5 2HA GLY 1 HA2 GLY 1 -17.164 10.623 1.566 6 H SER 2 HN SER 2 -19.566 10.904 -1.046 7 HA SER 2 HA SER 2 -17.975 9.161 -2.742 8 1HB SER 2 HB2 SER 2 -20.734 9.933 -2.599 9 2HB SER 2 HB1 SER 2 -20.119 10.304 -4.209 10 HG SER 2 HG SER 2 -20.962 8.099 -3.810 11 H HIS 3 HN HIS 3 -16.304 9.989 -3.804 12 HA HIS 3 HA HIS 3 -16.654 12.378 -5.400 13 1HB HIS 3 HB2 HIS 3 -15.189 12.403 -2.877 14 2HB HIS 3 HB1 HIS 3 -14.194 12.921 -4.234 15 HD2 HIS 3 HD2 HIS 3 -16.711 14.386 -1.840 16 HE1 HIS 3 HE1 HIS 3 -16.590 17.022 -5.165 17 HE2 HIS 3 HE2 HIS 3 -17.317 16.724 -2.769 18 H MET 4 HN MET 4 -14.039 10.293 -4.148 19 HA MET 4 HA MET 4 -12.399 9.117 -5.195 20 1HB MET 4 HB2 MET 4 -14.270 9.130 -7.568 21 2HB MET 4 HB1 MET 4 -12.946 8.009 -7.280 22 1HG MET 4 HG2 MET 4 -14.219 7.403 -5.127 23 2HG MET 4 HG1 MET 4 -15.592 8.190 -5.902 24 1HE MET 4 HE1 MET 4 -16.247 6.197 -9.029 25 2HE MET 4 HE2 MET 4 -16.205 7.785 -8.263 26 3HE MET 4 HE3 MET 4 -17.268 6.528 -7.630 27 H GLN 5 HN GLN 5 -10.833 10.700 -5.260 28 HA GLN 5 HA GLN 5 -10.753 12.728 -7.265 29 1HB GLN 5 HB2 GLN 5 -8.921 11.775 -5.110 30 2HB GLN 5 HB1 GLN 5 -8.250 12.775 -6.390 31 1HG GLN 5 HG2 GLN 5 -9.551 14.610 -5.810 32 2HG GLN 5 HG1 GLN 5 -10.699 13.628 -4.901 33 1HE2 GLN 5 1HE2 GLN 5 -8.253 15.784 -4.614 34 2HE2 GLN 5 2HE2 GLN 5 -7.717 15.412 -3.015 35 H ALA 6 HN ALA 6 -8.650 9.906 -6.680 36 HA ALA 6 HA ALA 6 -7.419 10.106 -9.252 37 1HB ALA 6 HB1 ALA 6 -7.318 7.675 -7.501 38 2HB ALA 6 HB2 ALA 6 -6.426 9.141 -7.097 39 3HB ALA 6 HB3 ALA 6 -6.094 8.295 -8.609 40 H THR 7 HN THR 7 -7.549 8.630 -10.969 41 HA THR 7 HA THR 7 -10.168 7.308 -11.188 42 HB THR 7 HB THR 7 -8.278 8.092 -13.411 43 HG1 THR 7 HG1 THR 7 -9.573 9.867 -13.683 44 1HG2 THR 7 1HG2 THR 7 -9.766 7.366 -14.918 45 2HG2 THR 7 2HG2 THR 7 -11.153 7.816 -13.925 46 3HG2 THR 7 3HG2 THR 7 -10.289 6.312 -13.603 47 H TRP 8 HN TRP 8 -10.338 5.160 -11.493 48 HA TRP 8 HA TRP 8 -7.957 3.639 -12.252 49 1HB TRP 8 HB2 TRP 8 -9.635 3.102 -9.797 50 2HB TRP 8 HB1 TRP 8 -8.449 1.976 -10.451 51 HD1 TRP 8 HD1 TRP 8 -8.584 5.553 -8.972 52 HE1 TRP 8 HE1 TRP 8 -6.327 6.024 -7.829 53 HE3 TRP 8 HE3 TRP 8 -6.110 1.255 -10.243 54 HZ2 TRP 8 HZ2 TRP 8 -3.835 4.751 -7.509 55 HZ3 TRP 8 HZ3 TRP 8 -3.802 0.972 -9.482 56 HH2 TRP 8 HH2 TRP 8 -2.681 2.679 -8.143 57 H LYS 9 HN LYS 9 -8.373 1.574 -13.116 58 HA LYS 9 HA LYS 9 -11.133 0.785 -13.574 59 1HB LYS 9 HB2 LYS 9 -10.815 0.589 -16.011 60 2HB LYS 9 HB1 LYS 9 -10.710 2.257 -15.465 61 1HG LYS 9 HG2 LYS 9 -8.241 2.073 -15.524 62 2HG LYS 9 HG1 LYS 9 -8.418 0.452 -16.201 63 1HD LYS 9 HD2 LYS 9 -9.723 2.832 -17.480 64 2HD LYS 9 HD1 LYS 9 -8.047 2.406 -17.828 65 1HE LYS 9 HE2 LYS 9 -9.132 1.274 -19.500 66 2HE LYS 9 HE1 LYS 9 -9.056 0.031 -18.252 67 1HZ LYS 9 HZ1 LYS 9 -11.394 1.715 -18.108 68 2HZ LYS 9 HZ2 LYS 9 -11.265 0.031 -18.013 69 3HZ LYS 9 HZ3 LYS 9 -11.298 0.792 -19.523 70 H GLU 10 HN GLU 10 -8.982 -0.306 -12.048 71 HA GLU 10 HA GLU 10 -7.746 -2.419 -13.486 72 1HB GLU 10 HB2 GLU 10 -6.918 -3.159 -11.337 73 2HB GLU 10 HB1 GLU 10 -6.738 -1.420 -11.489 74 1HG GLU 10 HG2 GLU 10 -9.070 -1.412 -10.268 75 2HG GLU 10 HG1 GLU 10 -8.522 -2.994 -9.714 76 H LYS 11 HN LYS 11 -8.304 -4.462 -13.800 77 HA LYS 11 HA LYS 11 -10.999 -5.265 -13.416 78 1HB LYS 11 HB2 LYS 11 -10.178 -7.469 -14.325 79 2HB LYS 11 HB1 LYS 11 -9.862 -6.078 -15.344 80 1HG LYS 11 HG2 LYS 11 -7.546 -6.080 -14.132 81 2HG LYS 11 HG1 LYS 11 -7.957 -7.760 -13.795 82 1HD LYS 11 HD2 LYS 11 -8.226 -6.691 -16.572 83 2HD LYS 11 HD1 LYS 11 -6.637 -7.153 -15.960 84 1HE LYS 11 HE2 LYS 11 -9.081 -8.912 -16.118 85 2HE LYS 11 HE1 LYS 11 -7.657 -9.006 -17.152 86 1HZ LYS 11 HZ1 LYS 11 -6.692 -9.164 -14.585 87 2HZ LYS 11 HZ2 LYS 11 -6.851 -10.440 -15.684 88 3HZ LYS 11 HZ3 LYS 11 -8.085 -10.125 -14.572 89 H ASP 12 HN ASP 12 -10.423 -8.106 -12.744 90 HA ASP 12 HA ASP 12 -9.781 -7.805 -9.892 91 1HB ASP 12 HB2 ASP 12 -12.314 -8.131 -10.737 92 2HB ASP 12 HB1 ASP 12 -11.823 -9.819 -10.633 93 H GLY 13 HN GLY 13 -8.227 -8.856 -12.246 94 1HA GLY 13 HA2 GLY 13 -7.969 -11.674 -11.443 95 2HA GLY 13 HA1 GLY 13 -7.409 -10.996 -12.961 96 H ALA 14 HN ALA 14 -5.394 -12.045 -12.544 97 HA ALA 14 HA ALA 14 -3.813 -11.437 -10.264 98 1HB ALA 14 HB1 ALA 14 -2.337 -12.934 -11.085 99 2HB ALA 14 HB2 ALA 14 -2.455 -12.317 -12.733 100 3HB ALA 14 HB3 ALA 14 -3.711 -13.379 -12.097 101 H VAL 15 HN VAL 15 -1.352 -10.819 -11.020 102 HA VAL 15 HA VAL 15 -1.450 -7.994 -11.473 103 HB VAL 15 HB VAL 15 0.282 -8.978 -10.052 104 1HG1 VAL 15 1HG1 VAL 15 0.929 -10.449 -12.537 105 2HG1 VAL 15 2HG1 VAL 15 1.015 -10.972 -10.855 106 3HG1 VAL 15 3HG1 VAL 15 2.279 -9.939 -11.523 107 1HG2 VAL 15 1HG2 VAL 15 1.966 -7.861 -12.170 108 2HG2 VAL 15 2HG2 VAL 15 1.707 -7.317 -10.516 109 3HG2 VAL 15 3HG2 VAL 15 0.550 -6.890 -11.771 110 H GLU 16 HN GLU 16 -0.582 -6.817 -13.256 111 HA GLU 16 HA GLU 16 0.014 -8.353 -15.653 112 1HB GLU 16 HB2 GLU 16 -2.205 -6.379 -15.348 113 2HB GLU 16 HB1 GLU 16 -1.332 -6.428 -16.868 114 1HG GLU 16 HG2 GLU 16 -1.834 -9.060 -16.463 115 2HG GLU 16 HG1 GLU 16 -3.253 -8.318 -15.726 116 H ALA 17 HN ALA 17 1.017 -7.006 -17.305 117 HA ALA 17 HA ALA 17 3.359 -6.014 -16.920 118 1HB ALA 17 HB1 ALA 17 1.702 -4.067 -18.453 119 2HB ALA 17 HB2 ALA 17 1.851 -5.727 -19.026 120 3HB ALA 17 HB3 ALA 17 3.292 -4.732 -18.822 121 H GLU 18 HN GLU 18 0.946 -3.349 -16.839 122 HA GLU 18 HA GLU 18 2.541 -2.193 -14.641 123 1HB GLU 18 HB2 GLU 18 0.933 -0.663 -16.680 124 2HB GLU 18 HB1 GLU 18 2.034 0.004 -15.483 125 1HG GLU 18 HG2 GLU 18 3.887 -1.226 -16.606 126 2HG GLU 18 HG1 GLU 18 2.745 -1.679 -17.871 127 H ASP 19 HN ASP 19 1.033 -3.532 -13.290 128 HA ASP 19 HA ASP 19 -1.643 -2.379 -12.977 129 1HB ASP 19 HB2 ASP 19 -0.330 -4.878 -11.932 130 2HB ASP 19 HB1 ASP 19 -1.937 -4.360 -11.447 131 H ARG 20 HN ARG 20 -2.316 -2.800 -10.454 132 HA ARG 20 HA ARG 20 -0.318 -1.601 -8.693 133 1HB ARG 20 HB2 ARG 20 -2.173 0.017 -9.803 134 2HB ARG 20 HB1 ARG 20 -3.052 -0.523 -8.386 135 1HG ARG 20 HG2 ARG 20 -2.042 1.139 -7.330 136 2HG ARG 20 HG1 ARG 20 -0.596 0.135 -7.364 137 1HD ARG 20 HD2 ARG 20 0.056 1.175 -9.488 138 2HD ARG 20 HD1 ARG 20 -1.377 2.192 -9.423 139 HE ARG 20 HE ARG 20 0.731 2.308 -7.366 140 1HH1 ARG 20 1HH1 ARG 20 -1.422 3.906 -9.619 141 2HH1 ARG 20 2HH1 ARG 20 -0.988 5.493 -9.088 142 1HH2 ARG 20 1HH2 ARG 20 1.292 4.397 -6.682 143 2HH2 ARG 20 2HH2 ARG 20 0.550 5.773 -7.427 144 H VAL 21 HN VAL 21 -0.150 -3.002 -7.054 145 HA VAL 21 HA VAL 21 -2.431 -4.642 -6.256 146 HB VAL 21 HB VAL 21 -0.764 -5.862 -4.878 147 1HG1 VAL 21 1HG1 VAL 21 0.263 -5.648 -7.691 148 2HG1 VAL 21 2HG1 VAL 21 -1.298 -6.378 -7.323 149 3HG1 VAL 21 3HG1 VAL 21 0.180 -7.072 -6.653 150 1HG2 VAL 21 1HG2 VAL 21 1.047 -4.675 -4.299 151 2HG2 VAL 21 2HG2 VAL 21 0.892 -3.587 -5.674 152 3HG2 VAL 21 3HG2 VAL 21 1.677 -5.148 -5.874 153 H THR 22 HN THR 22 -2.705 -5.057 -3.876 154 HA THR 22 HA THR 22 -2.231 -2.604 -2.303 155 HB THR 22 HB THR 22 -4.550 -4.540 -2.064 156 HG1 THR 22 HG1 THR 22 -5.078 -3.273 -3.721 157 1HG2 THR 22 1HG2 THR 22 -5.010 -3.691 -0.080 158 2HG2 THR 22 2HG2 THR 22 -4.958 -2.051 -0.731 159 3HG2 THR 22 3HG2 THR 22 -3.479 -2.808 -0.127 160 H ILE 23 HN ILE 23 -0.651 -3.019 -0.868 161 HA ILE 23 HA ILE 23 -0.664 -5.664 0.434 162 HB ILE 23 HB ILE 23 1.815 -5.563 0.468 163 1HG1 ILE 23 2HG1 ILE 23 1.678 -3.471 -1.665 164 2HG1 ILE 23 1HG1 ILE 23 1.714 -3.001 0.030 165 1HG2 ILE 23 1HG2 ILE 23 1.424 -5.444 -2.390 166 2HG2 ILE 23 2HG2 ILE 23 0.122 -6.325 -1.597 167 3HG2 ILE 23 3HG2 ILE 23 1.801 -6.833 -1.367 168 1HD1 ILE 23 1HD1 ILE 23 3.926 -3.112 -1.226 169 2HD1 ILE 23 2HD1 ILE 23 3.746 -4.859 -1.111 170 3HD1 ILE 23 3HD1 ILE 23 3.838 -3.890 0.354 171 H ASP 24 HN ASP 24 0.106 -5.811 2.516 172 HA ASP 24 HA ASP 24 0.454 -3.279 4.005 173 1HB ASP 24 HB2 ASP 24 -0.546 -4.443 5.957 174 2HB ASP 24 HB1 ASP 24 -1.678 -4.347 4.615 175 H PHE 25 HN PHE 25 2.469 -3.157 4.977 176 HA PHE 25 HA PHE 25 3.788 -5.676 5.687 177 1HB PHE 25 HB2 PHE 25 5.831 -5.122 4.570 178 2HB PHE 25 HB1 PHE 25 4.515 -5.017 3.404 179 HD1 PHE 25 HD1 PHE 25 4.281 -3.130 2.094 180 HD2 PHE 25 HD2 PHE 25 6.588 -2.912 5.663 181 HE1 PHE 25 HE1 PHE 25 4.947 -0.837 1.530 182 HE2 PHE 25 HE2 PHE 25 7.250 -0.605 5.094 183 HZ PHE 25 HZ PHE 25 6.417 0.427 3.019 184 H THR 26 HN THR 26 5.869 -5.322 6.859 185 HA THR 26 HA THR 26 6.077 -2.839 8.345 186 HB THR 26 HB THR 26 5.588 -5.472 9.749 187 HG1 THR 26 HG1 THR 26 3.928 -3.180 9.699 188 1HG2 THR 26 1HG2 THR 26 5.561 -2.806 11.081 189 2HG2 THR 26 2HG2 THR 26 7.078 -3.676 10.852 190 3HG2 THR 26 3HG2 THR 26 5.771 -4.411 11.780 191 H GLY 27 HN GLY 27 8.203 -2.385 8.224 192 1HA GLY 27 HA2 GLY 27 10.119 -4.410 9.043 193 2HA GLY 27 HA1 GLY 27 10.263 -3.877 7.382 194 H SER 28 HN SER 28 12.395 -3.580 8.858 195 HA SER 28 HA SER 28 12.457 -0.767 9.729 196 1HB SER 28 HB2 SER 28 14.791 -2.429 10.381 197 2HB SER 28 HB1 SER 28 13.832 -1.385 11.420 198 HG SER 28 HG SER 28 12.594 -3.024 11.969 199 H VAL 29 HN VAL 29 14.892 0.026 9.544 200 HA VAL 29 HA VAL 29 15.720 -0.444 6.777 201 HB VAL 29 HB VAL 29 14.956 1.781 6.860 202 1HG1 VAL 29 1HG1 VAL 29 16.672 2.886 8.939 203 2HG1 VAL 29 2HG1 VAL 29 15.465 1.748 9.544 204 3HG1 VAL 29 3HG1 VAL 29 14.965 3.153 8.609 205 1HG2 VAL 29 1HG2 VAL 29 17.689 1.222 6.413 206 2HG2 VAL 29 2HG2 VAL 29 17.580 2.820 7.151 207 3HG2 VAL 29 3HG2 VAL 29 16.681 2.465 5.675 208 H ASP 30 HN ASP 30 17.475 1.199 9.410 209 HA ASP 30 HA ASP 30 19.699 -0.622 8.924 210 1HB ASP 30 HB2 ASP 30 19.490 2.175 9.599 211 2HB ASP 30 HB1 ASP 30 20.453 1.340 10.814 212 H GLY 31 HN GLY 31 17.459 -1.663 10.216 213 1HA GLY 31 HA2 GLY 31 17.420 -3.276 11.949 214 2HA GLY 31 HA1 GLY 31 18.627 -2.337 12.815 215 H GLU 32 HN GLU 32 16.527 -0.068 11.789 216 HA GLU 32 HA GLU 32 14.631 -0.439 14.000 217 1HB GLU 32 HB2 GLU 32 16.105 2.140 13.439 218 2HB GLU 32 HB1 GLU 32 14.895 1.886 14.689 219 1HG GLU 32 HG2 GLU 32 17.191 0.053 14.765 220 2HG GLU 32 HG1 GLU 32 17.552 1.746 15.097 221 H GLU 33 HN GLU 33 12.652 -0.392 13.169 222 HA GLU 33 HA GLU 33 11.990 0.449 10.607 223 1HB GLU 33 HB2 GLU 33 9.628 0.277 11.375 224 2HB GLU 33 HB1 GLU 33 10.597 -1.145 11.729 225 1HG GLU 33 HG2 GLU 33 10.908 -0.227 14.044 226 2HG GLU 33 HG1 GLU 33 9.706 0.996 13.636 227 H PHE 34 HN PHE 34 11.879 2.375 9.785 228 HA PHE 34 HA PHE 34 11.784 4.730 11.411 229 1HB PHE 34 HB2 PHE 34 12.117 5.863 9.193 230 2HB PHE 34 HB1 PHE 34 13.365 4.715 9.640 231 HD1 PHE 34 HD1 PHE 34 13.238 2.372 8.660 232 HD2 PHE 34 HD2 PHE 34 11.006 5.654 7.117 233 HE1 PHE 34 HE1 PHE 34 12.949 1.174 6.543 234 HE2 PHE 34 HE2 PHE 34 10.718 4.451 4.983 235 HZ PHE 34 HZ PHE 34 11.693 2.206 4.710 236 H GLU 35 HN GLU 35 10.478 5.913 8.856 237 HA GLU 35 HA GLU 35 7.913 6.341 9.999 238 1HB GLU 35 HB2 GLU 35 9.146 7.088 7.351 239 2HB GLU 35 HB1 GLU 35 7.488 7.498 7.766 240 1HG GLU 35 HG2 GLU 35 9.898 8.332 9.362 241 2HG GLU 35 HG1 GLU 35 9.108 9.329 8.141 242 H GLY 36 HN GLY 36 8.874 4.919 6.870 243 1HA GLY 36 HA2 GLY 36 6.276 3.723 6.513 244 2HA GLY 36 HA1 GLY 36 7.650 3.573 5.435 245 H GLY 37 HN GLY 37 8.406 2.814 8.670 246 1HA GLY 37 HA2 GLY 37 9.095 0.173 8.076 247 2HA GLY 37 HA1 GLY 37 8.908 0.831 9.693 248 H LYS 38 HN LYS 38 6.000 1.414 8.390 249 HA LYS 38 HA LYS 38 4.904 -1.256 8.562 250 1HB LYS 38 HB2 LYS 38 3.247 -0.586 10.303 251 2HB LYS 38 HB1 LYS 38 4.901 -0.691 10.893 252 1HG LYS 38 HG2 LYS 38 4.606 1.954 10.090 253 2HG LYS 38 HG1 LYS 38 3.083 1.548 10.885 254 1HD LYS 38 HD2 LYS 38 4.545 2.378 12.568 255 2HD LYS 38 HD1 LYS 38 4.442 0.630 12.791 256 1HE LYS 38 HE2 LYS 38 6.643 0.440 12.565 257 2HE LYS 38 HE1 LYS 38 6.575 1.220 10.985 258 1HZ LYS 38 HZ1 LYS 38 7.046 2.443 13.626 259 2HZ LYS 38 HZ2 LYS 38 6.467 3.376 12.340 260 3HZ LYS 38 HZ3 LYS 38 7.958 2.589 12.208 261 H ALA 39 HN ALA 39 3.481 -1.437 7.005 262 HA ALA 39 HA ALA 39 1.774 0.848 6.308 263 1HB ALA 39 HB1 ALA 39 3.665 -0.599 4.559 264 2HB ALA 39 HB2 ALA 39 3.047 1.048 4.448 265 3HB ALA 39 HB3 ALA 39 2.061 -0.303 3.884 266 H SER 40 HN SER 40 -0.301 0.306 5.622 267 HA SER 40 HA SER 40 -1.016 -2.528 5.994 268 1HB SER 40 HB2 SER 40 -3.263 -1.700 6.681 269 2HB SER 40 HB1 SER 40 -1.973 -1.157 7.753 270 HG SER 40 HG SER 40 -3.621 0.295 6.096 271 H ASP 41 HN ASP 41 -2.272 0.406 4.370 272 HA ASP 41 HA ASP 41 -3.196 -1.273 2.178 273 1HB ASP 41 HB2 ASP 41 -4.545 0.757 1.554 274 2HB ASP 41 HB1 ASP 41 -4.998 0.044 3.100 275 H PHE 42 HN PHE 42 -0.815 -1.328 1.650 276 HA PHE 42 HA PHE 42 0.196 1.186 0.576 277 1HB PHE 42 HB2 PHE 42 1.641 -0.404 1.944 278 2HB PHE 42 HB1 PHE 42 1.615 -1.476 0.551 279 HD1 PHE 42 HD1 PHE 42 3.818 -1.464 -0.231 280 HD2 PHE 42 HD2 PHE 42 1.870 2.224 0.649 281 HE1 PHE 42 HE1 PHE 42 5.705 -0.225 -1.214 282 HE2 PHE 42 HE2 PHE 42 3.757 3.461 -0.325 283 HZ PHE 42 HZ PHE 42 5.678 2.237 -1.258 284 H VAL 43 HN VAL 43 -0.542 1.705 -1.364 285 HA VAL 43 HA VAL 43 -1.316 -0.319 -3.270 286 HB VAL 43 HB VAL 43 -1.268 2.678 -3.592 287 1HG1 VAL 43 1HG1 VAL 43 -2.051 2.351 -5.646 288 2HG1 VAL 43 2HG1 VAL 43 -3.319 1.285 -5.044 289 3HG1 VAL 43 3HG1 VAL 43 -1.732 0.628 -5.445 290 1HG2 VAL 43 1HG2 VAL 43 -3.646 2.611 -2.998 291 2HG2 VAL 43 2HG2 VAL 43 -2.625 2.055 -1.671 292 3HG2 VAL 43 3HG2 VAL 43 -3.505 0.886 -2.655 293 H LEU 44 HN LEU 44 0.407 -1.325 -4.125 294 HA LEU 44 HA LEU 44 2.680 0.234 -5.070 295 1HB LEU 44 HB2 LEU 44 2.346 -2.353 -3.998 296 2HB LEU 44 HB1 LEU 44 2.907 -2.561 -5.646 297 HG LEU 44 HG LEU 44 4.274 -1.074 -3.416 298 1HD1 LEU 44 1HD1 LEU 44 6.039 -2.665 -3.807 299 2HD1 LEU 44 2HD1 LEU 44 5.134 -3.403 -5.118 300 3HD1 LEU 44 3HD1 LEU 44 4.537 -3.506 -3.462 301 1HD2 LEU 44 1HD2 LEU 44 6.012 -1.057 -5.530 302 2HD2 LEU 44 2HD2 LEU 44 5.048 0.316 -4.989 303 3HD2 LEU 44 3HD2 LEU 44 4.469 -0.705 -6.306 304 H ALA 45 HN ALA 45 3.215 0.532 -7.141 305 HA ALA 45 HA ALA 45 1.278 -0.325 -9.172 306 1HB ALA 45 HB1 ALA 45 3.472 1.526 -9.880 307 2HB ALA 45 HB2 ALA 45 2.279 2.121 -8.729 308 3HB ALA 45 HB3 ALA 45 1.767 1.568 -10.323 309 H MET 46 HN MET 46 1.847 -2.318 -9.921 310 HA MET 46 HA MET 46 4.470 -3.315 -10.042 311 1HB MET 46 HB2 MET 46 1.836 -4.255 -10.591 312 2HB MET 46 HB1 MET 46 2.865 -4.668 -11.956 313 1HG MET 46 HG2 MET 46 4.134 -5.192 -9.408 314 2HG MET 46 HG1 MET 46 2.620 -6.067 -9.602 315 1HE MET 46 HE1 MET 46 6.216 -7.983 -10.549 316 2HE MET 46 HE2 MET 46 5.546 -7.073 -9.195 317 3HE MET 46 HE3 MET 46 6.462 -6.239 -10.450 318 H GLY 47 HN GLY 47 5.835 -1.954 -11.131 319 1HA GLY 47 HA2 GLY 47 7.081 -1.716 -13.132 320 2HA GLY 47 HA1 GLY 47 5.635 -2.108 -14.048 321 H GLN 48 HN GLN 48 5.511 0.233 -11.486 322 HA GLN 48 HA GLN 48 5.532 2.415 -13.457 323 1HB GLN 48 HB2 GLN 48 3.274 1.454 -12.035 324 2HB GLN 48 HB1 GLN 48 3.692 3.017 -11.345 325 1HG GLN 48 HG2 GLN 48 3.830 3.684 -13.903 326 2HG GLN 48 HG1 GLN 48 2.709 2.332 -14.052 327 1HE2 GLN 48 1HE2 GLN 48 2.189 5.117 -14.546 328 2HE2 GLN 48 2HE2 GLN 48 0.935 5.595 -13.459 329 H GLY 49 HN GLY 49 5.356 1.786 -9.950 330 1HA GLY 49 HA2 GLY 49 6.934 4.174 -9.414 331 2HA GLY 49 HA1 GLY 49 6.204 3.114 -8.215 332 H ARG 50 HN ARG 50 8.528 2.699 -10.866 333 HA ARG 50 HA ARG 50 10.422 1.429 -10.992 334 1HB ARG 50 HB2 ARG 50 10.795 3.674 -9.441 335 2HB ARG 50 HB1 ARG 50 11.497 2.396 -8.457 336 1HG ARG 50 HG2 ARG 50 12.594 1.768 -10.807 337 2HG ARG 50 HG1 ARG 50 12.383 3.503 -11.045 338 1HD ARG 50 HD2 ARG 50 13.665 3.992 -9.084 339 2HD ARG 50 HD1 ARG 50 13.722 2.286 -8.635 340 HE ARG 50 HE ARG 50 15.373 3.635 -10.575 341 1HH1 ARG 50 1HH1 ARG 50 14.104 0.557 -9.530 342 2HH1 ARG 50 2HH1 ARG 50 15.396 -0.355 -10.232 343 1HH2 ARG 50 1HH2 ARG 50 17.076 2.436 -11.497 344 2HH2 ARG 50 2HH2 ARG 50 17.084 0.710 -11.348 345 H MET 51 HN MET 51 8.634 -0.312 -10.184 346 HA MET 51 HA MET 51 8.823 -1.507 -7.698 347 1HB MET 51 HB2 MET 51 7.189 -2.143 -9.442 348 2HB MET 51 HB1 MET 51 8.477 -2.900 -10.361 349 1HG MET 51 HG2 MET 51 8.201 -4.780 -9.252 350 2HG MET 51 HG1 MET 51 8.529 -3.960 -7.726 351 1HE MET 51 HE1 MET 51 6.560 -2.155 -6.992 352 2HE MET 51 HE2 MET 51 4.862 -2.630 -6.947 353 3HE MET 51 HE3 MET 51 5.548 -1.948 -8.419 354 H ILE 52 HN ILE 52 10.846 -1.552 -6.866 355 HA ILE 52 HA ILE 52 13.161 -2.454 -8.221 356 HB ILE 52 HB ILE 52 13.906 -2.748 -5.648 357 1HG1 ILE 52 2HG1 ILE 52 11.784 -0.602 -5.519 358 2HG1 ILE 52 1HG1 ILE 52 11.528 -2.238 -4.920 359 1HG2 ILE 52 1HG2 ILE 52 14.301 -0.149 -5.818 360 2HG2 ILE 52 2HG2 ILE 52 13.746 -0.406 -7.472 361 3HG2 ILE 52 3HG2 ILE 52 15.156 -1.277 -6.869 362 1HD1 ILE 52 1HD1 ILE 52 13.317 -0.095 -3.873 363 2HD1 ILE 52 2HD1 ILE 52 13.655 -1.792 -3.526 364 3HD1 ILE 52 3HD1 ILE 52 12.123 -1.077 -3.024 365 HA PRO 53 HA PRO 53 13.531 -6.820 -7.871 366 1HB PRO 53 HB2 PRO 53 15.627 -7.064 -5.997 367 2HB PRO 53 HB1 PRO 53 15.778 -7.038 -7.754 368 1HG PRO 53 HG2 PRO 53 16.175 -4.852 -5.783 369 2HG PRO 53 HG1 PRO 53 16.975 -5.128 -7.341 370 1HD PRO 53 HD2 PRO 53 15.125 -3.218 -7.035 371 2HD PRO 53 HD1 PRO 53 15.251 -4.146 -8.540 372 H GLY 54 HN GLY 54 13.342 -4.934 -4.947 373 1HA GLY 54 HA2 GLY 54 12.750 -7.130 -3.209 374 2HA GLY 54 HA1 GLY 54 12.556 -5.423 -2.844 375 H PHE 55 HN PHE 55 10.718 -4.437 -4.400 376 HA PHE 55 HA PHE 55 8.348 -5.675 -3.479 377 1HB PHE 55 HB2 PHE 55 8.817 -3.369 -5.373 378 2HB PHE 55 HB1 PHE 55 7.207 -3.916 -4.927 379 HD1 PHE 55 HD1 PHE 55 6.983 -4.211 -2.224 380 HD2 PHE 55 HD2 PHE 55 9.570 -1.513 -4.261 381 HE1 PHE 55 HE1 PHE 55 7.041 -2.784 -0.239 382 HE2 PHE 55 HE2 PHE 55 9.628 -0.071 -2.273 383 HZ PHE 55 HZ PHE 55 8.361 -0.702 -0.261 384 H GLU 56 HN GLU 56 9.897 -5.478 -6.653 385 HA GLU 56 HA GLU 56 7.839 -6.683 -8.120 386 1HB GLU 56 HB2 GLU 56 9.391 -6.951 -9.874 387 2HB GLU 56 HB1 GLU 56 9.910 -5.508 -9.018 388 1HG GLU 56 HG2 GLU 56 11.807 -6.480 -8.236 389 2HG GLU 56 HG1 GLU 56 11.133 -8.105 -8.258 390 H ASP 57 HN ASP 57 9.934 -8.007 -5.777 391 HA ASP 57 HA ASP 57 9.860 -10.707 -6.760 392 1HB ASP 57 HB2 ASP 57 11.387 -9.310 -4.864 393 2HB ASP 57 HB1 ASP 57 10.495 -10.514 -3.945 394 H GLY 58 HN GLY 58 8.847 -9.591 -3.523 395 1HA GLY 58 HA2 GLY 58 6.969 -11.699 -3.269 396 2HA GLY 58 HA1 GLY 58 7.140 -10.328 -2.185 397 H ILE 59 HN ILE 59 6.514 -8.211 -3.642 398 HA ILE 59 HA ILE 59 3.696 -8.457 -3.979 399 HB ILE 59 HB ILE 59 5.397 -6.023 -4.557 400 1HG1 ILE 59 2HG1 ILE 59 4.764 -5.524 -2.081 401 2HG1 ILE 59 1HG1 ILE 59 4.623 -7.259 -1.933 402 1HG2 ILE 59 1HG2 ILE 59 2.967 -6.073 -5.156 403 2HG2 ILE 59 2HG2 ILE 59 3.410 -4.806 -4.016 404 3HG2 ILE 59 3HG2 ILE 59 2.609 -6.267 -3.446 405 1HD1 ILE 59 1HD1 ILE 59 7.079 -6.467 -3.211 406 2HD1 ILE 59 2HD1 ILE 59 6.825 -7.486 -1.799 407 3HD1 ILE 59 3HD1 ILE 59 6.899 -5.736 -1.622 408 H LYS 60 HN LYS 60 5.019 -9.975 -5.698 409 HA LYS 60 HA LYS 60 5.420 -9.033 -8.334 410 1HB LYS 60 HB2 LYS 60 4.515 -11.642 -7.185 411 2HB LYS 60 HB1 LYS 60 4.201 -11.368 -8.891 412 1HG LYS 60 HG2 LYS 60 6.935 -10.755 -8.042 413 2HG LYS 60 HG1 LYS 60 6.470 -12.447 -7.885 414 1HD LYS 60 HD2 LYS 60 5.883 -12.570 -10.204 415 2HD LYS 60 HD1 LYS 60 6.087 -10.828 -10.399 416 1HE LYS 60 HE2 LYS 60 8.511 -11.772 -9.354 417 2HE LYS 60 HE1 LYS 60 8.039 -12.933 -10.595 418 1HZ LYS 60 HZ1 LYS 60 7.949 -10.036 -11.140 419 2HZ LYS 60 HZ2 LYS 60 8.080 -11.320 -12.233 420 3HZ LYS 60 HZ3 LYS 60 9.405 -10.889 -11.275 421 H GLY 61 HN GLY 61 2.580 -10.304 -6.761 422 1HA GLY 61 HA2 GLY 61 0.450 -9.090 -6.748 423 2HA GLY 61 HA1 GLY 61 0.816 -8.606 -8.404 424 H HIS 62 HN HIS 62 1.240 -11.669 -6.795 425 HA HIS 62 HA HIS 62 -0.674 -12.900 -8.679 426 1HB HIS 62 HB2 HIS 62 0.784 -14.863 -8.830 427 2HB HIS 62 HB1 HIS 62 1.610 -13.408 -9.372 428 HD2 HIS 62 HD2 HIS 62 2.392 -12.610 -6.088 429 HE1 HIS 62 HE1 HIS 62 4.818 -16.050 -6.582 430 HE2 HIS 62 HE2 HIS 62 4.492 -13.896 -5.319 431 H LYS 63 HN LYS 63 0.328 -12.597 -5.412 432 HA LYS 63 HA LYS 63 -1.479 -14.805 -4.679 433 1HB LYS 63 HB2 LYS 63 0.865 -13.748 -3.092 434 2HB LYS 63 HB1 LYS 63 -0.189 -15.075 -2.624 435 1HG LYS 63 HG2 LYS 63 1.403 -15.152 -5.161 436 2HG LYS 63 HG1 LYS 63 2.080 -15.660 -3.612 437 1HD LYS 63 HD2 LYS 63 -0.374 -16.939 -3.718 438 2HD LYS 63 HD1 LYS 63 0.225 -17.036 -5.375 439 1HE LYS 63 HE2 LYS 63 2.458 -17.664 -3.946 440 2HE LYS 63 HE1 LYS 63 1.186 -18.350 -2.934 441 1HZ LYS 63 HZ1 LYS 63 0.473 -19.737 -4.653 442 2HZ LYS 63 HZ2 LYS 63 2.161 -19.820 -4.739 443 3HZ LYS 63 HZ3 LYS 63 1.305 -18.867 -5.844 444 H ALA 64 HN ALA 64 -3.254 -13.313 -4.769 445 HA ALA 64 HA ALA 64 -3.439 -10.962 -3.246 446 1HB ALA 64 HB1 ALA 64 -5.226 -12.641 -4.797 447 2HB ALA 64 HB2 ALA 64 -5.244 -10.894 -4.555 448 3HB ALA 64 HB3 ALA 64 -6.018 -11.955 -3.378 449 H GLY 65 HN GLY 65 -2.788 -11.151 -1.124 450 1HA GLY 65 HA2 GLY 65 -3.669 -11.355 1.105 451 2HA GLY 65 HA1 GLY 65 -4.541 -12.789 0.585 452 H GLU 66 HN GLU 66 -1.180 -12.142 -0.150 453 HA GLU 66 HA GLU 66 -0.424 -14.572 1.301 454 1HB GLU 66 HB2 GLU 66 0.178 -13.872 -1.193 455 2HB GLU 66 HB1 GLU 66 1.504 -13.055 -0.387 456 1HG GLU 66 HG2 GLU 66 1.606 -15.511 0.767 457 2HG GLU 66 HG1 GLU 66 1.055 -15.904 -0.861 458 H GLU 67 HN GLU 67 1.692 -14.548 2.438 459 HA GLU 67 HA GLU 67 2.339 -11.932 3.619 460 1HB GLU 67 HB2 GLU 67 2.785 -13.235 5.780 461 2HB GLU 67 HB1 GLU 67 1.105 -12.937 5.355 462 1HG GLU 67 HG2 GLU 67 1.983 -15.419 4.219 463 2HG GLU 67 HG1 GLU 67 2.318 -15.384 5.950 464 H PHE 68 HN PHE 68 4.299 -11.528 2.791 465 HA PHE 68 HA PHE 68 6.380 -13.588 3.119 466 1HB PHE 68 HB2 PHE 68 7.267 -12.863 0.859 467 2HB PHE 68 HB1 PHE 68 5.758 -13.776 0.824 468 HD1 PHE 68 HD1 PHE 68 3.769 -12.822 -0.017 469 HD2 PHE 68 HD2 PHE 68 7.215 -10.416 0.614 470 HE1 PHE 68 HE1 PHE 68 2.672 -10.961 -1.203 471 HE2 PHE 68 HE2 PHE 68 6.128 -8.550 -0.581 472 HZ PHE 68 HZ PHE 68 3.855 -8.830 -1.490 473 H THR 69 HN THR 69 8.602 -12.651 2.807 474 HA THR 69 HA THR 69 8.727 -9.856 3.709 475 HB THR 69 HB THR 69 10.550 -12.060 4.678 476 HG1 THR 69 HG1 THR 69 8.459 -12.418 5.458 477 1HG2 THR 69 1HG2 THR 69 11.766 -10.322 5.359 478 2HG2 THR 69 2HG2 THR 69 10.529 -10.150 6.603 479 3HG2 THR 69 3HG2 THR 69 10.443 -9.182 5.136 480 H ILE 70 HN ILE 70 9.947 -8.579 2.431 481 HA ILE 70 HA ILE 70 12.175 -9.849 0.976 482 HB ILE 70 HB ILE 70 11.686 -8.631 -1.043 483 1HG1 ILE 70 2HG1 ILE 70 10.645 -6.649 0.078 484 2HG1 ILE 70 1HG1 ILE 70 9.755 -7.217 -1.329 485 1HG2 ILE 70 1HG2 ILE 70 9.151 -9.575 -1.267 486 2HG2 ILE 70 2HG2 ILE 70 9.745 -10.498 0.112 487 3HG2 ILE 70 3HG2 ILE 70 10.606 -10.557 -1.425 488 1HD1 ILE 70 1HD1 ILE 70 8.563 -8.592 0.709 489 2HD1 ILE 70 2HD1 ILE 70 7.970 -7.095 -0.011 490 3HD1 ILE 70 3HD1 ILE 70 8.947 -7.042 1.457 491 H ASP 71 HN ASP 71 13.687 -8.199 0.045 492 HA ASP 71 HA ASP 71 14.142 -6.104 2.036 493 1HB ASP 71 HB2 ASP 71 16.395 -5.946 0.969 494 2HB ASP 71 HB1 ASP 71 16.050 -7.552 1.602 495 H VAL 72 HN VAL 72 14.413 -3.896 1.374 496 HA VAL 72 HA VAL 72 13.912 -3.303 -1.433 497 HB VAL 72 HB VAL 72 12.226 -1.489 -0.631 498 1HG1 VAL 72 1HG1 VAL 72 11.758 -3.383 -2.159 499 2HG1 VAL 72 2HG1 VAL 72 10.381 -2.941 -1.146 500 3HG1 VAL 72 3HG1 VAL 72 11.343 -4.369 -0.756 501 1HG2 VAL 72 1HG2 VAL 72 12.482 -1.894 1.756 502 2HG2 VAL 72 2HG2 VAL 72 11.911 -3.550 1.547 503 3HG2 VAL 72 3HG2 VAL 72 10.826 -2.197 1.237 504 H THR 73 HN THR 73 14.999 -1.532 -2.130 505 HA THR 73 HA THR 73 15.782 0.525 -0.254 506 HB THR 73 HB THR 73 17.730 -1.222 -1.768 507 HG1 THR 73 HG1 THR 73 17.010 -1.213 0.700 508 1HG2 THR 73 1HG2 THR 73 19.413 0.515 -0.713 509 2HG2 THR 73 2HG2 THR 73 18.061 1.615 -0.984 510 3HG2 THR 73 3HG2 THR 73 18.755 0.720 -2.336 511 H PHE 74 HN PHE 74 15.415 2.441 -1.246 512 HA PHE 74 HA PHE 74 14.777 2.427 -4.062 513 1HB PHE 74 HB2 PHE 74 14.560 4.471 -1.877 514 2HB PHE 74 HB1 PHE 74 14.261 4.886 -3.560 515 HD1 PHE 74 HD1 PHE 74 13.336 2.059 -1.289 516 HD2 PHE 74 HD2 PHE 74 12.055 4.982 -4.092 517 HE1 PHE 74 HE1 PHE 74 11.027 1.207 -1.122 518 HE2 PHE 74 HE2 PHE 74 9.750 4.148 -3.933 519 HZ PHE 74 HZ PHE 74 9.232 2.261 -2.448 520 HA PRO 75 HA PRO 75 18.742 3.771 -5.479 521 1HB PRO 75 HB2 PRO 75 17.977 4.931 -7.823 522 2HB PRO 75 HB1 PRO 75 18.096 3.183 -7.593 523 1HG PRO 75 HG2 PRO 75 15.681 4.946 -7.500 524 2HG PRO 75 HG1 PRO 75 15.875 3.350 -8.246 525 1HD PRO 75 HD2 PRO 75 14.666 3.676 -5.861 526 2HD PRO 75 HD1 PRO 75 15.640 2.239 -6.237 527 H GLU 76 HN GLU 76 19.616 5.844 -6.699 528 HA GLU 76 HA GLU 76 19.208 8.016 -4.882 529 1HB GLU 76 HB2 GLU 76 21.329 7.166 -6.376 530 2HB GLU 76 HB1 GLU 76 20.779 8.548 -7.312 531 1HG GLU 76 HG2 GLU 76 21.883 9.869 -5.932 532 2HG GLU 76 HG1 GLU 76 20.790 9.382 -4.637 533 H GLU 77 HN GLU 77 17.864 7.124 -7.892 534 HA GLU 77 HA GLU 77 17.123 9.835 -8.605 535 1HB GLU 77 HB2 GLU 77 15.968 8.779 -10.512 536 2HB GLU 77 HB1 GLU 77 17.648 8.277 -10.403 537 1HG GLU 77 HG2 GLU 77 17.054 6.147 -9.564 538 2HG GLU 77 HG1 GLU 77 15.382 6.642 -9.304 539 H TYR 78 HN TYR 78 15.674 6.935 -7.248 540 HA TYR 78 HA TYR 78 13.021 8.047 -7.151 541 1HB TYR 78 HB2 TYR 78 13.748 5.529 -7.174 542 2HB TYR 78 HB1 TYR 78 13.874 5.749 -5.431 543 HD1 TYR 78 HD1 TYR 78 11.907 4.115 -7.374 544 HD2 TYR 78 HD2 TYR 78 11.566 7.608 -4.973 545 HE1 TYR 78 HE1 TYR 78 9.490 3.737 -7.174 546 HE2 TYR 78 HE2 TYR 78 9.148 7.241 -4.768 547 HH TYR 78 HH TYR 78 7.348 6.072 -6.055 548 H HIS 79 HN HIS 79 14.266 10.027 -6.085 549 HA HIS 79 HA HIS 79 14.362 9.640 -3.185 550 1HB HIS 79 HB2 HIS 79 15.528 11.659 -5.057 551 2HB HIS 79 HB1 HIS 79 15.247 12.114 -3.377 552 HD2 HIS 79 HD2 HIS 79 16.292 8.477 -3.529 553 HE1 HIS 79 HE1 HIS 79 19.842 10.712 -2.864 554 HE2 HIS 79 HE2 HIS 79 18.777 8.430 -2.799 555 H ALA 80 HN ALA 80 12.024 9.454 -3.118 556 HA ALA 80 HA ALA 80 10.424 11.778 -3.708 557 1HB ALA 80 HB1 ALA 80 8.601 10.463 -3.312 558 2HB ALA 80 HB2 ALA 80 9.383 9.585 -1.997 559 3HB ALA 80 HB3 ALA 80 9.785 9.206 -3.672 560 H GLU 81 HN GLU 81 9.719 13.305 -2.289 561 HA GLU 81 HA GLU 81 11.158 13.944 -0.032 562 1HB GLU 81 HB2 GLU 81 9.336 15.480 0.537 563 2HB GLU 81 HB1 GLU 81 9.710 15.531 -1.180 564 1HG GLU 81 HG2 GLU 81 7.774 14.268 -1.726 565 2HG GLU 81 HG1 GLU 81 7.466 13.898 -0.029 566 H ASN 82 HN ASN 82 8.723 11.524 -0.306 567 HA ASN 82 HA ASN 82 8.189 11.533 2.553 568 1HB ASN 82 HB2 ASN 82 6.558 9.740 2.013 569 2HB ASN 82 HB1 ASN 82 6.273 11.235 1.128 570 1HD2 ASN 82 1HD2 ASN 82 7.635 8.015 0.896 571 2HD2 ASN 82 2HD2 ASN 82 7.440 7.847 -0.810 572 H LEU 83 HN LEU 83 9.653 9.327 0.145 573 HA LEU 83 HA LEU 83 10.895 7.953 2.418 574 1HB LEU 83 HB2 LEU 83 10.208 5.870 1.840 575 2HB LEU 83 HB1 LEU 83 8.811 6.812 1.399 576 HG LEU 83 HG LEU 83 8.964 5.398 -0.391 577 1HD1 LEU 83 1HD1 LEU 83 10.924 7.081 -1.751 578 2HD1 LEU 83 2HD1 LEU 83 9.607 7.967 -0.987 579 3HD1 LEU 83 3HD1 LEU 83 9.252 6.703 -2.166 580 1HD2 LEU 83 1HD2 LEU 83 10.752 4.189 -0.967 581 2HD2 LEU 83 2HD2 LEU 83 11.295 4.693 0.622 582 3HD2 LEU 83 3HD2 LEU 83 11.873 5.539 -0.818 583 H LYS 84 HN LYS 84 11.723 9.785 0.072 584 HA LYS 84 HA LYS 84 13.343 8.804 -1.799 585 1HB LYS 84 HB2 LYS 84 14.917 10.691 -1.361 586 2HB LYS 84 HB1 LYS 84 13.228 11.167 -1.415 587 1HG LYS 84 HG2 LYS 84 13.119 11.369 0.949 588 2HG LYS 84 HG1 LYS 84 14.709 10.629 1.142 589 1HD LYS 84 HD2 LYS 84 15.743 12.585 0.845 590 2HD LYS 84 HD1 LYS 84 14.814 12.929 -0.616 591 1HE LYS 84 HE2 LYS 84 14.237 14.664 0.831 592 2HE LYS 84 HE1 LYS 84 12.899 13.527 0.986 593 1HZ LYS 84 HZ1 LYS 84 14.078 14.548 3.080 594 2HZ LYS 84 HZ2 LYS 84 15.146 13.259 2.839 595 3HZ LYS 84 HZ3 LYS 84 13.500 12.958 3.088 596 H GLY 85 HN GLY 85 15.205 7.721 -2.073 597 1HA GLY 85 HA2 GLY 85 16.861 6.202 -1.564 598 2HA GLY 85 HA1 GLY 85 17.426 7.507 -0.537 599 H LYS 86 HN LYS 86 14.656 5.268 -0.278 600 HA LYS 86 HA LYS 86 15.299 4.833 2.515 601 1HB LYS 86 HB2 LYS 86 13.009 5.256 1.927 602 2HB LYS 86 HB1 LYS 86 13.030 3.936 0.766 603 1HG LYS 86 HG2 LYS 86 13.637 2.571 2.985 604 2HG LYS 86 HG1 LYS 86 12.700 3.887 3.691 605 1HD LYS 86 HD2 LYS 86 11.673 2.408 1.298 606 2HD LYS 86 HD1 LYS 86 11.475 1.734 2.915 607 1HE LYS 86 HE2 LYS 86 10.730 4.484 2.975 608 2HE LYS 86 HE1 LYS 86 9.910 3.714 1.618 609 1HZ LYS 86 HZ1 LYS 86 8.905 3.702 4.025 610 2HZ LYS 86 HZ2 LYS 86 9.877 2.332 4.195 611 3HZ LYS 86 HZ3 LYS 86 8.701 2.386 2.983 612 H ALA 87 HN ALA 87 17.231 3.575 2.305 613 HA ALA 87 HA ALA 87 17.071 0.957 1.055 614 1HB ALA 87 HB1 ALA 87 19.220 2.502 2.456 615 2HB ALA 87 HB2 ALA 87 19.215 1.819 0.829 616 3HB ALA 87 HB3 ALA 87 19.391 0.761 2.228 617 H ALA 88 HN ALA 88 15.480 -0.128 2.221 618 HA ALA 88 HA ALA 88 16.232 -0.805 4.983 619 1HB ALA 88 HB1 ALA 88 14.359 -0.019 5.929 620 2HB ALA 88 HB2 ALA 88 13.348 -0.532 4.578 621 3HB ALA 88 HB3 ALA 88 14.259 0.975 4.474 622 H LYS 89 HN LYS 89 14.187 -2.284 5.721 623 HA LYS 89 HA LYS 89 14.003 -4.547 3.846 624 1HB LYS 89 HB2 LYS 89 15.670 -5.201 5.434 625 2HB LYS 89 HB1 LYS 89 14.730 -4.578 6.780 626 1HG LYS 89 HG2 LYS 89 13.033 -6.445 5.780 627 2HG LYS 89 HG1 LYS 89 14.600 -7.169 5.418 628 1HD LYS 89 HD2 LYS 89 13.907 -7.920 7.588 629 2HD LYS 89 HD1 LYS 89 15.248 -6.791 7.794 630 1HE LYS 89 HE2 LYS 89 13.794 -6.019 9.393 631 2HE LYS 89 HE1 LYS 89 13.324 -5.026 8.014 632 1HZ LYS 89 HZ1 LYS 89 11.807 -7.300 7.795 633 2HZ LYS 89 HZ2 LYS 89 11.279 -5.790 8.338 634 3HZ LYS 89 HZ3 LYS 89 11.793 -6.952 9.452 635 H PHE 90 HN PHE 90 11.966 -5.614 3.876 636 HA PHE 90 HA PHE 90 9.969 -4.570 5.772 637 1HB PHE 90 HB2 PHE 90 9.500 -4.848 2.805 638 2HB PHE 90 HB1 PHE 90 8.262 -4.510 3.999 639 HD1 PHE 90 HD1 PHE 90 8.157 -2.893 1.881 640 HD2 PHE 90 HD2 PHE 90 10.878 -2.580 5.117 641 HE1 PHE 90 HE1 PHE 90 8.379 -0.476 1.459 642 HE2 PHE 90 HE2 PHE 90 11.123 -0.174 4.701 643 HZ PHE 90 HZ PHE 90 9.867 0.876 2.863 644 H ALA 91 HN ALA 91 8.109 -5.938 6.074 645 HA ALA 91 HA ALA 91 8.327 -8.620 4.919 646 1HB ALA 91 HB1 ALA 91 8.706 -9.254 7.090 647 2HB ALA 91 HB2 ALA 91 6.957 -9.059 7.213 648 3HB ALA 91 HB3 ALA 91 8.029 -7.762 7.745 649 H ILE 92 HN ILE 92 6.834 -8.420 3.388 650 HA ILE 92 HA ILE 92 4.439 -6.848 3.900 651 HB ILE 92 HB ILE 92 5.427 -7.964 1.295 652 1HG1 ILE 92 2HG1 ILE 92 6.094 -5.410 2.724 653 2HG1 ILE 92 1HG1 ILE 92 7.176 -6.575 2.007 654 1HG2 ILE 92 1HG2 ILE 92 4.053 -6.032 0.402 655 2HG2 ILE 92 2HG2 ILE 92 3.343 -5.939 2.013 656 3HG2 ILE 92 3HG2 ILE 92 3.175 -7.413 1.058 657 1HD1 ILE 92 1HD1 ILE 92 5.918 -4.243 0.854 658 2HD1 ILE 92 2HD1 ILE 92 5.685 -5.690 -0.124 659 3HD1 ILE 92 3HD1 ILE 92 7.315 -5.168 0.301 660 H ASN 93 HN ASN 93 2.439 -7.407 2.976 661 HA ASN 93 HA ASN 93 1.866 -10.253 2.670 662 1HB ASN 93 HB2 ASN 93 1.309 -9.611 5.001 663 2HB ASN 93 HB1 ASN 93 0.262 -8.338 4.388 664 1HD2 ASN 93 1HD2 ASN 93 -1.636 -8.939 3.240 665 2HD2 ASN 93 2HD2 ASN 93 -2.374 -10.478 3.513 666 H LEU 94 HN LEU 94 1.317 -10.228 0.527 667 HA LEU 94 HA LEU 94 0.152 -8.020 -0.786 668 1HB LEU 94 HB2 LEU 94 1.495 -9.795 -1.885 669 2HB LEU 94 HB1 LEU 94 0.141 -10.892 -1.694 670 HG LEU 94 HG LEU 94 -1.221 -9.278 -3.086 671 1HD1 LEU 94 1HD1 LEU 94 -0.255 -7.252 -3.251 672 2HD1 LEU 94 2HD1 LEU 94 0.578 -7.987 -4.620 673 3HD1 LEU 94 3HD1 LEU 94 1.375 -7.893 -3.050 674 1HD2 LEU 94 1HD2 LEU 94 0.600 -11.281 -3.831 675 2HD2 LEU 94 2HD2 LEU 94 0.795 -9.978 -5.002 676 3HD2 LEU 94 3HD2 LEU 94 -0.793 -10.696 -4.739 677 H LYS 95 HN LYS 95 -1.941 -7.880 -1.847 678 HA LYS 95 HA LYS 95 -4.035 -9.597 -0.827 679 1HB LYS 95 HB2 LYS 95 -3.999 -6.634 -0.238 680 2HB LYS 95 HB1 LYS 95 -5.402 -7.669 -0.027 681 1HG LYS 95 HG2 LYS 95 -3.507 -9.010 1.398 682 2HG LYS 95 HG1 LYS 95 -3.039 -7.329 1.659 683 1HD LYS 95 HD2 LYS 95 -5.865 -8.297 2.016 684 2HD LYS 95 HD1 LYS 95 -4.678 -8.342 3.321 685 1HE LYS 95 HE2 LYS 95 -5.142 -6.222 3.782 686 2HE LYS 95 HE1 LYS 95 -4.547 -5.764 2.188 687 1HZ LYS 95 HZ1 LYS 95 -6.599 -5.252 1.582 688 2HZ LYS 95 HZ2 LYS 95 -7.152 -5.605 3.139 689 3HZ LYS 95 HZ3 LYS 95 -7.154 -6.808 1.949 690 H LYS 96 HN LYS 96 -5.113 -6.514 -1.815 691 HA LYS 96 HA LYS 96 -6.389 -7.619 -4.092 692 1HB LYS 96 HB2 LYS 96 -6.596 -5.255 -2.523 693 2HB LYS 96 HB1 LYS 96 -6.466 -4.774 -4.209 694 1HG LYS 96 HG2 LYS 96 -8.672 -5.086 -4.258 695 2HG LYS 96 HG1 LYS 96 -8.275 -6.802 -4.359 696 1HD LYS 96 HD2 LYS 96 -8.397 -6.940 -1.895 697 2HD LYS 96 HD1 LYS 96 -8.880 -5.243 -1.847 698 1HE LYS 96 HE2 LYS 96 -10.964 -6.088 -1.886 699 2HE LYS 96 HE1 LYS 96 -10.670 -6.224 -3.619 700 1HZ LYS 96 HZ1 LYS 96 -10.121 -8.496 -3.393 701 2HZ LYS 96 HZ2 LYS 96 -11.548 -8.271 -2.513 702 3HZ LYS 96 HZ3 LYS 96 -10.068 -8.404 -1.704 703 H VAL 97 HN VAL 97 -5.152 -8.229 -5.780 704 HA VAL 97 HA VAL 97 -3.334 -6.252 -6.957 705 HB VAL 97 HB VAL 97 -2.068 -8.180 -6.444 706 1HG1 VAL 97 1HG1 VAL 97 -4.550 -9.597 -6.983 707 2HG1 VAL 97 2HG1 VAL 97 -3.192 -10.050 -5.952 708 3HG1 VAL 97 3HG1 VAL 97 -3.145 -10.399 -7.680 709 1HG2 VAL 97 1HG2 VAL 97 -2.360 -9.237 -9.082 710 2HG2 VAL 97 2HG2 VAL 97 -1.093 -8.191 -8.442 711 3HG2 VAL 97 3HG2 VAL 97 -2.545 -7.485 -9.145 712 H GLU 98 HN GLU 98 -4.410 -5.180 -8.524 713 HA GLU 98 HA GLU 98 -6.036 -6.763 -10.404 714 1HB GLU 98 HB2 GLU 98 -6.631 -3.912 -9.641 715 2HB GLU 98 HB1 GLU 98 -7.654 -5.023 -10.539 716 1HG GLU 98 HG2 GLU 98 -6.914 -5.239 -7.631 717 2HG GLU 98 HG1 GLU 98 -8.467 -4.713 -8.277 718 H GLU 99 HN GLU 99 -6.524 -5.226 -12.440 719 HA GLU 99 HA GLU 99 -3.873 -4.394 -13.372 720 1HB GLU 99 HB2 GLU 99 -5.253 -6.200 -14.565 721 2HB GLU 99 HB1 GLU 99 -6.254 -4.872 -15.137 722 1HG GLU 99 HG2 GLU 99 -3.459 -4.326 -15.576 723 2HG GLU 99 HG1 GLU 99 -3.932 -5.860 -16.304 724 H ARG 100 HN ARG 100 -3.888 -2.334 -12.465 725 HA ARG 100 HA ARG 100 -5.913 -0.406 -13.031 726 1HB ARG 100 HB2 ARG 100 -4.387 1.196 -12.050 727 2HB ARG 100 HB1 ARG 100 -4.380 -0.274 -11.083 728 1HG ARG 100 HG2 ARG 100 -2.182 -0.394 -11.301 729 2HG ARG 100 HG1 ARG 100 -2.367 -0.556 -13.041 730 1HD ARG 100 HD2 ARG 100 -2.730 2.172 -12.419 731 2HD ARG 100 HD1 ARG 100 -1.303 1.626 -11.538 732 HE ARG 100 HE ARG 100 -0.803 0.638 -13.949 733 1HH1 ARG 100 1HH1 ARG 100 -1.950 3.807 -13.027 734 2HH1 ARG 100 2HH1 ARG 100 -1.222 4.597 -14.383 735 1HH2 ARG 100 1HH2 ARG 100 0.148 1.677 -15.728 736 2HH2 ARG 100 2HH2 ARG 100 -0.030 3.390 -15.918 737 H GLU 101 HN GLU 101 -5.942 1.224 -14.547 738 HA GLU 101 HA GLU 101 -3.729 1.522 -16.393 739 1HB GLU 101 HB2 GLU 101 -5.640 -0.267 -17.124 740 2HB GLU 101 HB1 GLU 101 -6.305 1.213 -17.802 741 1HG GLU 101 HG2 GLU 101 -4.156 1.598 -18.961 742 2HG GLU 101 HG1 GLU 101 -3.586 0.045 -18.351 743 H LEU 102 HN LEU 102 -3.678 3.573 -15.344 744 HA LEU 102 HA LEU 102 -5.912 5.349 -15.479 745 1HB LEU 102 HB2 LEU 102 -3.033 5.617 -14.706 746 2HB LEU 102 HB1 LEU 102 -4.017 7.053 -14.916 747 HG LEU 102 HG LEU 102 -5.450 6.453 -13.122 748 1HD1 LEU 102 1HD1 LEU 102 -5.648 4.063 -13.683 749 2HD1 LEU 102 2HD1 LEU 102 -5.358 4.330 -11.964 750 3HD1 LEU 102 3HD1 LEU 102 -4.042 3.789 -13.006 751 1HD2 LEU 102 1HD2 LEU 102 -2.741 5.605 -12.148 752 2HD2 LEU 102 2HD2 LEU 102 -3.989 6.504 -11.286 753 3HD2 LEU 102 3HD2 LEU 102 -3.097 7.272 -12.600 754 HA PRO 103 HA PRO 103 -3.507 7.396 -19.075 755 1HB PRO 103 HB2 PRO 103 -1.241 6.305 -19.998 756 2HB PRO 103 HB1 PRO 103 -1.247 7.343 -18.566 757 1HG PRO 103 HG2 PRO 103 -1.185 4.352 -18.737 758 2HG PRO 103 HG1 PRO 103 -0.246 5.431 -17.689 759 1HD PRO 103 HD2 PRO 103 -2.491 4.099 -16.871 760 2HD PRO 103 HD1 PRO 103 -1.948 5.637 -16.172 761 H GLU 104 HN GLU 104 -4.222 7.156 -21.130 762 HA GLU 104 HA GLU 104 -5.384 4.691 -21.933 763 1HB GLU 104 HB2 GLU 104 -6.217 6.966 -22.579 764 2HB GLU 104 HB1 GLU 104 -4.833 7.113 -23.654 765 1HG GLU 104 HG2 GLU 104 -5.641 5.017 -24.791 766 2HG GLU 104 HG1 GLU 104 -7.120 5.176 -23.844 767 H LEU 105 HN LEU 105 -4.420 3.007 -22.834 768 HA LEU 105 HA LEU 105 -1.796 3.387 -24.093 769 1HB LEU 105 HB2 LEU 105 -2.743 1.520 -22.235 770 2HB LEU 105 HB1 LEU 105 -2.586 0.627 -23.734 771 HG LEU 105 HG LEU 105 -0.324 2.324 -22.732 772 1HD1 LEU 105 1HD1 LEU 105 -1.213 -0.345 -21.738 773 2HD1 LEU 105 2HD1 LEU 105 -0.549 1.025 -20.847 774 3HD1 LEU 105 3HD1 LEU 105 0.509 0.021 -21.838 775 1HD2 LEU 105 1HD2 LEU 105 0.303 -0.192 -24.006 776 2HD2 LEU 105 2HD2 LEU 105 0.787 1.446 -24.448 777 3HD2 LEU 105 3HD2 LEU 105 -0.749 0.795 -25.020 778 H THR 106 HN THR 106 -2.087 3.810 -26.204 779 HA THR 106 HA THR 106 -4.084 2.317 -27.723 780 HB THR 106 HB THR 106 -2.262 4.465 -28.794 781 HG1 THR 106 HG1 THR 106 -4.722 4.769 -27.423 782 1HG2 THR 106 1HG2 THR 106 -3.692 3.102 -30.361 783 2HG2 THR 106 2HG2 THR 106 -3.904 4.851 -30.426 784 3HG2 THR 106 3HG2 THR 106 -5.087 3.849 -29.586 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -5.730 22.886 0.974 2 2H GLY 1 HT2 GLY 1 -4.938 23.079 -0.507 3 3H GLY 1 HT3 GLY 1 -4.497 21.817 0.527 4 1HA GLY 1 HA1 GLY 1 -7.013 22.109 -1.010 5 2HA GLY 1 HA2 GLY 1 -5.793 20.856 -1.184 6 H SER 2 HN SER 2 -8.007 19.692 -0.961 7 HA SER 2 HA SER 2 -8.015 18.453 1.615 8 1HB SER 2 HB2 SER 2 -9.372 20.463 2.112 9 2HB SER 2 HB1 SER 2 -10.485 20.017 0.820 10 HG SER 2 HG SER 2 -9.891 18.296 2.984 11 H HIS 3 HN HIS 3 -8.900 16.429 1.548 12 HA HIS 3 HA HIS 3 -9.692 14.498 0.647 13 1HB HIS 3 HB2 HIS 3 -11.683 16.313 0.301 14 2HB HIS 3 HB1 HIS 3 -11.399 15.826 -1.366 15 HD2 HIS 3 HD2 HIS 3 -12.302 13.294 -2.033 16 HE1 HIS 3 HE1 HIS 3 -13.820 12.311 1.807 17 HE2 HIS 3 HE2 HIS 3 -13.633 11.597 -0.603 18 H MET 4 HN MET 4 -9.705 13.161 -1.319 19 HA MET 4 HA MET 4 -8.522 14.233 -3.715 20 1HB MET 4 HB2 MET 4 -6.748 13.483 -1.749 21 2HB MET 4 HB1 MET 4 -6.856 12.030 -2.733 22 1HG MET 4 HG2 MET 4 -6.345 13.416 -4.729 23 2HG MET 4 HG1 MET 4 -6.087 14.789 -3.652 24 1HE MET 4 HE1 MET 4 -3.127 15.044 -4.356 25 2HE MET 4 HE2 MET 4 -2.681 14.707 -2.683 26 3HE MET 4 HE3 MET 4 -4.201 15.525 -3.044 27 H GLN 5 HN GLN 5 -10.221 13.371 -4.843 28 HA GLN 5 HA GLN 5 -10.826 10.536 -4.580 29 1HB GLN 5 HB2 GLN 5 -12.602 11.094 -6.311 30 2HB GLN 5 HB1 GLN 5 -12.769 11.868 -4.741 31 1HG GLN 5 HG2 GLN 5 -12.106 13.946 -5.560 32 2HG GLN 5 HG1 GLN 5 -11.397 13.249 -7.015 33 1HE2 GLN 5 1HE2 GLN 5 -13.910 14.998 -5.918 34 2HE2 GLN 5 2HE2 GLN 5 -15.090 14.626 -7.124 35 H ALA 6 HN ALA 6 -9.298 9.315 -5.545 36 HA ALA 6 HA ALA 6 -8.186 10.082 -8.109 37 1HB ALA 6 HB1 ALA 6 -7.420 7.443 -7.352 38 2HB ALA 6 HB2 ALA 6 -7.330 8.493 -5.939 39 3HB ALA 6 HB3 ALA 6 -6.443 8.908 -7.405 40 H THR 7 HN THR 7 -8.093 8.476 -9.887 41 HA THR 7 HA THR 7 -10.651 7.032 -10.114 42 HB THR 7 HB THR 7 -10.606 8.906 -11.635 43 HG1 THR 7 HG1 THR 7 -11.431 6.878 -12.410 44 1HG2 THR 7 1HG2 THR 7 -8.390 7.897 -13.283 45 2HG2 THR 7 2HG2 THR 7 -7.937 8.696 -11.780 46 3HG2 THR 7 3HG2 THR 7 -8.920 9.548 -12.968 47 H TRP 8 HN TRP 8 -10.651 4.941 -10.732 48 HA TRP 8 HA TRP 8 -8.190 3.749 -11.757 49 1HB TRP 8 HB2 TRP 8 -9.644 2.769 -9.295 50 2HB TRP 8 HB1 TRP 8 -8.398 1.859 -10.139 51 HD1 TRP 8 HD1 TRP 8 -8.786 5.219 -8.260 52 HE1 TRP 8 HE1 TRP 8 -6.530 5.778 -7.163 53 HE3 TRP 8 HE3 TRP 8 -5.995 1.339 -10.097 54 HZ2 TRP 8 HZ2 TRP 8 -3.916 4.726 -7.084 55 HZ3 TRP 8 HZ3 TRP 8 -3.632 1.203 -9.466 56 HH2 TRP 8 HH2 TRP 8 -2.611 2.853 -7.990 57 H LYS 9 HN LYS 9 -8.504 1.568 -12.588 58 HA LYS 9 HA LYS 9 -11.239 0.736 -13.111 59 1HB LYS 9 HB2 LYS 9 -10.762 0.521 -15.567 60 2HB LYS 9 HB1 LYS 9 -10.897 2.179 -14.995 61 1HG LYS 9 HG2 LYS 9 -8.392 2.235 -14.867 62 2HG LYS 9 HG1 LYS 9 -8.391 0.674 -15.693 63 1HD LYS 9 HD2 LYS 9 -10.037 2.766 -16.950 64 2HD LYS 9 HD1 LYS 9 -8.298 3.067 -16.956 65 1HE LYS 9 HE2 LYS 9 -8.120 0.632 -17.808 66 2HE LYS 9 HE1 LYS 9 -9.832 0.808 -18.191 67 1HZ LYS 9 HZ1 LYS 9 -8.276 3.023 -19.116 68 2HZ LYS 9 HZ2 LYS 9 -9.355 2.037 -19.965 69 3HZ LYS 9 HZ3 LYS 9 -7.744 1.558 -19.775 70 H GLU 10 HN GLU 10 -9.208 -0.366 -11.518 71 HA GLU 10 HA GLU 10 -7.790 -2.398 -12.905 72 1HB GLU 10 HB2 GLU 10 -8.377 -2.563 -9.976 73 2HB GLU 10 HB1 GLU 10 -6.946 -3.075 -10.854 74 1HG GLU 10 HG2 GLU 10 -5.981 -1.057 -10.754 75 2HG GLU 10 HG1 GLU 10 -7.502 -0.187 -10.909 76 H LYS 11 HN LYS 11 -8.285 -4.411 -13.410 77 HA LYS 11 HA LYS 11 -10.976 -5.321 -13.261 78 1HB LYS 11 HB2 LYS 11 -10.039 -7.418 -14.254 79 2HB LYS 11 HB1 LYS 11 -9.604 -5.962 -15.136 80 1HG LYS 11 HG2 LYS 11 -7.403 -6.057 -14.479 81 2HG LYS 11 HG1 LYS 11 -7.754 -7.038 -13.060 82 1HD LYS 11 HD2 LYS 11 -6.855 -8.649 -14.396 83 2HD LYS 11 HD1 LYS 11 -8.535 -8.762 -14.926 84 1HE LYS 11 HE2 LYS 11 -6.783 -6.811 -16.316 85 2HE LYS 11 HE1 LYS 11 -6.503 -8.524 -16.632 86 1HZ LYS 11 HZ1 LYS 11 -8.654 -8.787 -17.473 87 2HZ LYS 11 HZ2 LYS 11 -8.122 -7.328 -18.142 88 3HZ LYS 11 HZ3 LYS 11 -9.197 -7.317 -16.836 89 H ASP 12 HN ASP 12 -10.460 -8.136 -12.693 90 HA ASP 12 HA ASP 12 -9.879 -8.002 -9.817 91 1HB ASP 12 HB2 ASP 12 -12.390 -8.292 -10.740 92 2HB ASP 12 HB1 ASP 12 -11.891 -9.981 -10.723 93 H GLY 13 HN GLY 13 -8.380 -8.948 -12.303 94 1HA GLY 13 HA2 GLY 13 -8.047 -11.780 -11.623 95 2HA GLY 13 HA1 GLY 13 -7.449 -10.994 -13.075 96 H ALA 14 HN ALA 14 -5.448 -12.124 -12.558 97 HA ALA 14 HA ALA 14 -3.961 -11.515 -10.218 98 1HB ALA 14 HB1 ALA 14 -2.290 -12.844 -11.093 99 2HB ALA 14 HB2 ALA 14 -2.656 -12.392 -12.757 100 3HB ALA 14 HB3 ALA 14 -3.726 -13.491 -11.887 101 H VAL 15 HN VAL 15 -1.467 -10.844 -10.937 102 HA VAL 15 HA VAL 15 -1.632 -8.011 -11.333 103 HB VAL 15 HB VAL 15 0.111 -9.056 -9.935 104 1HG1 VAL 15 1HG1 VAL 15 1.779 -10.409 -10.710 105 2HG1 VAL 15 2HG1 VAL 15 1.703 -9.747 -12.343 106 3HG1 VAL 15 3HG1 VAL 15 0.473 -10.885 -11.796 107 1HG2 VAL 15 1HG2 VAL 15 0.324 -6.874 -11.631 108 2HG2 VAL 15 2HG2 VAL 15 1.855 -7.729 -11.806 109 3HG2 VAL 15 3HG2 VAL 15 1.305 -7.220 -10.211 110 H GLU 16 HN GLU 16 -0.726 -6.784 -13.098 111 HA GLU 16 HA GLU 16 -0.187 -8.300 -15.528 112 1HB GLU 16 HB2 GLU 16 -2.398 -6.371 -15.114 113 2HB GLU 16 HB1 GLU 16 -1.492 -6.203 -16.609 114 1HG GLU 16 HG2 GLU 16 -2.073 -8.956 -16.214 115 2HG GLU 16 HG1 GLU 16 -3.556 -8.030 -15.987 116 H ALA 17 HN ALA 17 0.840 -6.972 -17.175 117 HA ALA 17 HA ALA 17 3.212 -6.045 -16.813 118 1HB ALA 17 HB1 ALA 17 1.699 -5.723 -18.904 119 2HB ALA 17 HB2 ALA 17 3.154 -4.747 -18.707 120 3HB ALA 17 HB3 ALA 17 1.576 -4.062 -18.324 121 H GLU 18 HN GLU 18 0.867 -3.324 -16.704 122 HA GLU 18 HA GLU 18 2.506 -2.217 -14.516 123 1HB GLU 18 HB2 GLU 18 0.889 -0.608 -16.481 124 2HB GLU 18 HB1 GLU 18 2.088 -0.018 -15.340 125 1HG GLU 18 HG2 GLU 18 3.760 -0.382 -16.754 126 2HG GLU 18 HG1 GLU 18 3.186 -2.004 -17.137 127 H ASP 19 HN ASP 19 1.008 -3.516 -13.144 128 HA ASP 19 HA ASP 19 -1.656 -2.345 -12.825 129 1HB ASP 19 HB2 ASP 19 -0.348 -4.876 -11.875 130 2HB ASP 19 HB1 ASP 19 -1.883 -4.332 -11.217 131 H ARG 20 HN ARG 20 -2.298 -2.808 -10.284 132 HA ARG 20 HA ARG 20 -0.330 -1.612 -8.504 133 1HB ARG 20 HB2 ARG 20 -1.995 0.093 -9.675 134 2HB ARG 20 HB1 ARG 20 -3.089 -0.479 -8.429 135 1HG ARG 20 HG2 ARG 20 -2.215 1.067 -7.119 136 2HG ARG 20 HG1 ARG 20 -0.751 0.086 -7.061 137 1HD ARG 20 HD2 ARG 20 0.254 1.332 -8.790 138 2HD ARG 20 HD1 ARG 20 -1.264 2.087 -9.242 139 HE ARG 20 HE ARG 20 -0.653 2.774 -6.589 140 1HH1 ARG 20 1HH1 ARG 20 0.487 3.374 -9.832 141 2HH1 ARG 20 2HH1 ARG 20 1.089 4.956 -9.462 142 1HH2 ARG 20 1HH2 ARG 20 0.130 4.855 -6.101 143 2HH2 ARG 20 2HH2 ARG 20 0.886 5.797 -7.344 144 H VAL 21 HN VAL 21 -0.252 -3.135 -6.913 145 HA VAL 21 HA VAL 21 -2.677 -4.595 -6.178 146 HB VAL 21 HB VAL 21 -1.206 -6.057 -4.896 147 1HG1 VAL 21 1HG1 VAL 21 -1.523 -6.374 -7.368 148 2HG1 VAL 21 2HG1 VAL 21 -0.063 -7.110 -6.699 149 3HG1 VAL 21 3HG1 VAL 21 0.041 -5.594 -7.596 150 1HG2 VAL 21 1HG2 VAL 21 0.647 -3.842 -5.203 151 2HG2 VAL 21 2HG2 VAL 21 1.371 -5.391 -5.627 152 3HG2 VAL 21 3HG2 VAL 21 0.648 -5.164 -4.035 153 H THR 22 HN THR 22 -2.802 -5.130 -3.722 154 HA THR 22 HA THR 22 -2.306 -2.673 -2.163 155 HB THR 22 HB THR 22 -4.633 -4.596 -1.926 156 HG1 THR 22 HG1 THR 22 -5.297 -3.282 -3.443 157 1HG2 THR 22 1HG2 THR 22 -4.920 -3.892 0.146 158 2HG2 THR 22 2HG2 THR 22 -5.140 -2.256 -0.476 159 3HG2 THR 22 3HG2 THR 22 -3.534 -2.804 0.018 160 H ILE 23 HN ILE 23 -0.744 -3.066 -0.708 161 HA ILE 23 HA ILE 23 -0.683 -5.742 0.534 162 HB ILE 23 HB ILE 23 1.805 -5.493 0.617 163 1HG1 ILE 23 2HG1 ILE 23 1.586 -3.498 -1.591 164 2HG1 ILE 23 1HG1 ILE 23 1.499 -2.938 0.074 165 1HG2 ILE 23 1HG2 ILE 23 1.639 -5.540 -2.194 166 2HG2 ILE 23 2HG2 ILE 23 0.136 -6.226 -1.575 167 3HG2 ILE 23 3HG2 ILE 23 1.687 -6.908 -1.081 168 1HD1 ILE 23 1HD1 ILE 23 3.730 -4.691 -0.839 169 2HD1 ILE 23 2HD1 ILE 23 3.672 -3.593 0.535 170 3HD1 ILE 23 3HD1 ILE 23 3.770 -2.951 -1.103 171 H ASP 24 HN ASP 24 0.194 -5.915 2.599 172 HA ASP 24 HA ASP 24 0.446 -3.417 4.160 173 1HB ASP 24 HB2 ASP 24 -0.416 -4.798 6.115 174 2HB ASP 24 HB1 ASP 24 -1.614 -4.435 4.882 175 H PHE 25 HN PHE 25 2.479 -3.275 5.103 176 HA PHE 25 HA PHE 25 3.866 -5.786 5.705 177 1HB PHE 25 HB2 PHE 25 5.866 -5.169 4.559 178 2HB PHE 25 HB1 PHE 25 4.529 -4.999 3.425 179 HD1 PHE 25 HD1 PHE 25 4.194 -3.000 2.286 180 HD2 PHE 25 HD2 PHE 25 6.716 -3.064 5.719 181 HE1 PHE 25 HE1 PHE 25 4.834 -0.666 1.869 182 HE2 PHE 25 HE2 PHE 25 7.353 -0.717 5.292 183 HZ PHE 25 HZ PHE 25 6.401 0.474 3.360 184 H THR 26 HN THR 26 5.910 -5.467 6.887 185 HA THR 26 HA THR 26 6.095 -3.020 8.460 186 HB THR 26 HB THR 26 5.893 -5.703 9.832 187 HG1 THR 26 HG1 THR 26 3.899 -3.803 9.245 188 1HG2 THR 26 1HG2 THR 26 6.597 -3.086 10.738 189 2HG2 THR 26 2HG2 THR 26 6.560 -4.609 11.626 190 3HG2 THR 26 3HG2 THR 26 5.107 -3.616 11.519 191 H GLY 27 HN GLY 27 8.192 -2.458 8.404 192 1HA GLY 27 HA2 GLY 27 10.243 -4.365 9.097 193 2HA GLY 27 HA1 GLY 27 10.288 -3.882 7.414 194 H SER 28 HN SER 28 12.420 -3.447 9.082 195 HA SER 28 HA SER 28 12.344 -0.547 9.649 196 1HB SER 28 HB2 SER 28 14.654 -2.159 10.580 197 2HB SER 28 HB1 SER 28 13.741 -0.910 11.418 198 HG SER 28 HG SER 28 12.172 -2.400 11.915 199 H VAL 29 HN VAL 29 14.514 0.536 9.359 200 HA VAL 29 HA VAL 29 15.587 -0.206 6.747 201 HB VAL 29 HB VAL 29 14.787 1.985 6.590 202 1HG1 VAL 29 1HG1 VAL 29 15.288 2.156 9.362 203 2HG1 VAL 29 2HG1 VAL 29 14.406 3.276 8.333 204 3HG1 VAL 29 3HG1 VAL 29 16.136 3.487 8.583 205 1HG2 VAL 29 1HG2 VAL 29 16.606 2.600 5.496 206 2HG2 VAL 29 2HG2 VAL 29 17.620 1.586 6.518 207 3HG2 VAL 29 3HG2 VAL 29 17.264 3.243 7.000 208 H ASP 30 HN ASP 30 17.156 1.669 9.341 209 HA ASP 30 HA ASP 30 19.517 -0.006 8.987 210 1HB ASP 30 HB2 ASP 30 20.638 1.768 10.368 211 2HB ASP 30 HB1 ASP 30 19.954 2.356 8.856 212 H GLY 31 HN GLY 31 17.277 -1.149 10.331 213 1HA GLY 31 HA2 GLY 31 17.347 -2.703 12.120 214 2HA GLY 31 HA1 GLY 31 18.548 -1.697 12.914 215 H GLU 32 HN GLU 32 16.359 0.461 11.883 216 HA GLU 32 HA GLU 32 14.536 0.118 14.156 217 1HB GLU 32 HB2 GLU 32 15.843 2.751 13.451 218 2HB GLU 32 HB1 GLU 32 14.764 2.433 14.802 219 1HG GLU 32 HG2 GLU 32 17.232 0.812 14.659 220 2HG GLU 32 HG1 GLU 32 17.415 2.523 15.044 221 H GLU 33 HN GLU 33 12.594 -0.051 13.265 222 HA GLU 33 HA GLU 33 11.876 0.690 10.701 223 1HB GLU 33 HB2 GLU 33 9.509 0.468 11.552 224 2HB GLU 33 HB1 GLU 33 10.544 -0.925 11.819 225 1HG GLU 33 HG2 GLU 33 10.894 0.526 14.115 226 2HG GLU 33 HG1 GLU 33 9.196 0.808 13.730 227 H PHE 34 HN PHE 34 11.703 2.615 9.828 228 HA PHE 34 HA PHE 34 11.465 4.975 11.424 229 1HB PHE 34 HB2 PHE 34 11.963 6.153 9.405 230 2HB PHE 34 HB1 PHE 34 13.011 4.747 9.486 231 HD1 PHE 34 HD1 PHE 34 11.215 6.673 7.317 232 HD2 PHE 34 HD2 PHE 34 11.772 2.568 8.297 233 HE1 PHE 34 HE1 PHE 34 10.494 6.037 5.057 234 HE2 PHE 34 HE2 PHE 34 11.047 1.928 6.043 235 HZ PHE 34 HZ PHE 34 10.405 3.660 4.416 236 H GLU 35 HN GLU 35 10.076 6.126 8.916 237 HA GLU 35 HA GLU 35 7.494 6.351 10.085 238 1HB GLU 35 HB2 GLU 35 8.883 7.426 7.695 239 2HB GLU 35 HB1 GLU 35 7.130 7.337 7.595 240 1HG GLU 35 HG2 GLU 35 8.581 8.667 9.865 241 2HG GLU 35 HG1 GLU 35 8.079 9.514 8.402 242 H GLY 36 HN GLY 36 8.626 4.968 6.994 243 1HA GLY 36 HA2 GLY 36 6.104 3.638 6.542 244 2HA GLY 36 HA1 GLY 36 7.535 3.534 5.531 245 H GLY 37 HN GLY 37 8.139 2.908 8.831 246 1HA GLY 37 HA2 GLY 37 9.015 0.297 8.349 247 2HA GLY 37 HA1 GLY 37 8.726 0.993 9.932 248 H LYS 38 HN LYS 38 5.855 1.424 8.624 249 HA LYS 38 HA LYS 38 4.861 -1.295 8.767 250 1HB LYS 38 HB2 LYS 38 3.703 0.810 10.583 251 2HB LYS 38 HB1 LYS 38 3.280 -0.892 10.516 252 1HG LYS 38 HG2 LYS 38 5.352 -1.536 11.479 253 2HG LYS 38 HG1 LYS 38 6.003 0.096 11.314 254 1HD LYS 38 HD2 LYS 38 3.665 -0.680 13.053 255 2HD LYS 38 HD1 LYS 38 5.313 -0.410 13.625 256 1HE LYS 38 HE2 LYS 38 5.230 1.882 13.082 257 2HE LYS 38 HE1 LYS 38 3.772 1.681 12.113 258 1HZ LYS 38 HZ1 LYS 38 3.070 0.790 14.600 259 2HZ LYS 38 HZ2 LYS 38 2.666 2.287 13.927 260 3HZ LYS 38 HZ3 LYS 38 4.029 2.147 14.918 261 H ALA 39 HN ALA 39 3.399 -1.560 7.267 262 HA ALA 39 HA ALA 39 1.687 0.680 6.469 263 1HB ALA 39 HB1 ALA 39 3.618 -0.779 4.767 264 2HB ALA 39 HB2 ALA 39 3.011 0.871 4.640 265 3HB ALA 39 HB3 ALA 39 2.024 -0.476 4.070 266 H SER 40 HN SER 40 -0.364 0.101 5.788 267 HA SER 40 HA SER 40 -1.037 -2.743 6.151 268 1HB SER 40 HB2 SER 40 -2.952 -0.447 6.561 269 2HB SER 40 HB1 SER 40 -3.133 -2.121 7.087 270 HG SER 40 HG SER 40 -1.430 -0.117 8.116 271 H ASP 41 HN ASP 41 -2.384 0.178 4.570 272 HA ASP 41 HA ASP 41 -3.239 -1.499 2.348 273 1HB ASP 41 HB2 ASP 41 -4.626 0.553 1.756 274 2HB ASP 41 HB1 ASP 41 -5.119 -0.307 3.211 275 H PHE 42 HN PHE 42 -0.848 -1.442 1.830 276 HA PHE 42 HA PHE 42 0.035 1.132 0.780 277 1HB PHE 42 HB2 PHE 42 1.623 -0.219 2.135 278 2HB PHE 42 HB1 PHE 42 1.566 -1.475 0.909 279 HD1 PHE 42 HD1 PHE 42 3.855 -1.464 0.250 280 HD2 PHE 42 HD2 PHE 42 1.614 2.157 0.255 281 HE1 PHE 42 HE1 PHE 42 5.663 -0.346 -0.977 282 HE2 PHE 42 HE2 PHE 42 3.426 3.281 -0.967 283 HZ PHE 42 HZ PHE 42 5.455 2.029 -1.583 284 H VAL 43 HN VAL 43 -0.730 1.603 -1.159 285 HA VAL 43 HA VAL 43 -1.375 -0.438 -3.070 286 HB VAL 43 HB VAL 43 -2.728 1.613 -2.751 287 1HG1 VAL 43 1HG1 VAL 43 -0.645 3.083 -2.519 288 2HG1 VAL 43 2HG1 VAL 43 -2.035 3.742 -3.381 289 3HG1 VAL 43 3HG1 VAL 43 -0.647 3.128 -4.281 290 1HG2 VAL 43 1HG2 VAL 43 -1.893 0.420 -5.215 291 2HG2 VAL 43 2HG2 VAL 43 -2.273 2.125 -5.473 292 3HG2 VAL 43 3HG2 VAL 43 -3.477 1.051 -4.759 293 H LEU 44 HN LEU 44 0.381 -1.432 -3.890 294 HA LEU 44 HA LEU 44 2.682 0.126 -4.752 295 1HB LEU 44 HB2 LEU 44 2.315 -2.466 -3.740 296 2HB LEU 44 HB1 LEU 44 2.811 -2.681 -5.408 297 HG LEU 44 HG LEU 44 4.320 -1.265 -3.219 298 1HD1 LEU 44 1HD1 LEU 44 4.753 -3.526 -3.021 299 2HD1 LEU 44 2HD1 LEU 44 6.047 -2.974 -4.080 300 3HD1 LEU 44 3HD1 LEU 44 4.650 -3.798 -4.759 301 1HD2 LEU 44 1HD2 LEU 44 5.707 -1.562 -5.754 302 2HD2 LEU 44 2HD2 LEU 44 5.577 -0.159 -4.696 303 3HD2 LEU 44 3HD2 LEU 44 4.312 -0.495 -5.874 304 H ALA 45 HN ALA 45 3.215 0.526 -6.816 305 HA ALA 45 HA ALA 45 1.291 -0.257 -8.876 306 1HB ALA 45 HB1 ALA 45 2.105 2.160 -8.437 307 2HB ALA 45 HB2 ALA 45 1.958 1.586 -10.096 308 3HB ALA 45 HB3 ALA 45 3.544 1.660 -9.326 309 H MET 46 HN MET 46 1.808 -2.209 -9.714 310 HA MET 46 HA MET 46 4.414 -3.240 -9.924 311 1HB MET 46 HB2 MET 46 1.764 -4.130 -10.423 312 2HB MET 46 HB1 MET 46 2.721 -4.463 -11.863 313 1HG MET 46 HG2 MET 46 3.344 -5.323 -9.058 314 2HG MET 46 HG1 MET 46 2.772 -6.343 -10.369 315 1HE MET 46 HE1 MET 46 6.534 -7.039 -9.250 316 2HE MET 46 HE2 MET 46 4.998 -6.716 -8.450 317 3HE MET 46 HE3 MET 46 6.207 -5.440 -8.580 318 H GLY 47 HN GLY 47 5.634 -1.599 -10.944 319 1HA GLY 47 HA2 GLY 47 6.874 -1.143 -12.890 320 2HA GLY 47 HA1 GLY 47 5.575 -1.836 -13.847 321 H GLN 48 HN GLN 48 6.143 0.937 -11.683 322 HA GLN 48 HA GLN 48 4.689 2.608 -13.627 323 1HB GLN 48 HB2 GLN 48 3.567 2.182 -11.347 324 2HB GLN 48 HB1 GLN 48 4.823 3.216 -10.681 325 1HG GLN 48 HG2 GLN 48 3.718 4.559 -12.908 326 2HG GLN 48 HG1 GLN 48 2.379 3.949 -11.936 327 1HE2 GLN 48 1HE2 GLN 48 5.585 5.309 -11.236 328 2HE2 GLN 48 2HE2 GLN 48 5.023 6.497 -10.116 329 H GLY 49 HN GLY 49 6.856 2.975 -10.822 330 1HA GLY 49 HA2 GLY 49 8.269 5.106 -12.262 331 2HA GLY 49 HA1 GLY 49 8.369 4.786 -10.535 332 H ARG 50 HN ARG 50 9.044 2.245 -10.287 333 HA ARG 50 HA ARG 50 10.869 1.110 -12.038 334 1HB ARG 50 HB2 ARG 50 13.028 1.703 -11.037 335 2HB ARG 50 HB1 ARG 50 12.229 3.109 -11.721 336 1HG ARG 50 HG2 ARG 50 11.974 4.113 -9.716 337 2HG ARG 50 HG1 ARG 50 11.732 2.592 -8.859 338 1HD ARG 50 HD2 ARG 50 13.918 4.000 -8.503 339 2HD ARG 50 HD1 ARG 50 13.980 2.239 -8.564 340 HE ARG 50 HE ARG 50 15.302 2.440 -10.400 341 1HH1 ARG 50 1HH1 ARG 50 13.398 5.352 -10.125 342 2HH1 ARG 50 2HH1 ARG 50 14.089 6.088 -11.532 343 1HH2 ARG 50 1HH2 ARG 50 16.217 3.410 -12.249 344 2HH2 ARG 50 2HH2 ARG 50 15.690 4.986 -12.736 345 H MET 51 HN MET 51 9.255 -0.353 -10.861 346 HA MET 51 HA MET 51 9.403 -1.101 -8.228 347 1HB MET 51 HB2 MET 51 8.010 -2.029 -10.301 348 2HB MET 51 HB1 MET 51 9.229 -3.295 -10.236 349 1HG MET 51 HG2 MET 51 7.802 -4.255 -8.805 350 2HG MET 51 HG1 MET 51 8.530 -3.158 -7.633 351 1HE MET 51 HE1 MET 51 7.234 -0.744 -6.872 352 2HE MET 51 HE2 MET 51 5.952 -0.140 -7.921 353 3HE MET 51 HE3 MET 51 7.558 -0.451 -8.580 354 H ILE 52 HN ILE 52 11.180 -1.461 -7.080 355 HA ILE 52 HA ILE 52 13.614 -2.439 -8.186 356 HB ILE 52 HB ILE 52 14.073 -2.847 -5.590 357 1HG1 ILE 52 2HG1 ILE 52 11.961 -0.684 -5.526 358 2HG1 ILE 52 1HG1 ILE 52 11.657 -2.349 -5.035 359 1HG2 ILE 52 1HG2 ILE 52 13.931 -0.103 -6.826 360 2HG2 ILE 52 2HG2 ILE 52 15.229 -1.270 -7.074 361 3HG2 ILE 52 3HG2 ILE 52 14.946 -0.593 -5.469 362 1HD1 ILE 52 1HD1 ILE 52 13.525 -0.367 -3.768 363 2HD1 ILE 52 2HD1 ILE 52 13.500 -2.083 -3.360 364 3HD1 ILE 52 3HD1 ILE 52 12.072 -1.087 -3.076 365 HA PRO 53 HA PRO 53 13.331 -6.828 -7.991 366 1HB PRO 53 HB2 PRO 53 15.622 -6.866 -6.092 367 2HB PRO 53 HB1 PRO 53 15.430 -7.698 -7.640 368 1HG PRO 53 HG2 PRO 53 17.020 -5.569 -7.421 369 2HG PRO 53 HG1 PRO 53 16.033 -5.830 -8.871 370 1HD PRO 53 HD2 PRO 53 15.610 -3.935 -6.601 371 2HD PRO 53 HD1 PRO 53 15.278 -3.716 -8.331 372 H GLY 54 HN GLY 54 13.532 -4.982 -5.053 373 1HA GLY 54 HA2 GLY 54 12.879 -7.037 -3.216 374 2HA GLY 54 HA1 GLY 54 12.704 -5.309 -2.950 375 H PHE 55 HN PHE 55 10.805 -4.337 -4.298 376 HA PHE 55 HA PHE 55 8.455 -5.605 -3.370 377 1HB PHE 55 HB2 PHE 55 8.951 -3.220 -5.146 378 2HB PHE 55 HB1 PHE 55 7.328 -3.785 -4.792 379 HD1 PHE 55 HD1 PHE 55 6.708 -3.937 -2.230 380 HD2 PHE 55 HD2 PHE 55 9.944 -1.658 -3.808 381 HE1 PHE 55 HE1 PHE 55 6.697 -2.543 -0.222 382 HE2 PHE 55 HE2 PHE 55 9.933 -0.255 -1.789 383 HZ PHE 55 HZ PHE 55 8.305 -0.696 0.000 384 H GLU 56 HN GLU 56 9.893 -5.107 -6.555 385 HA GLU 56 HA GLU 56 7.913 -6.179 -8.140 386 1HB GLU 56 HB2 GLU 56 9.935 -5.039 -8.989 387 2HB GLU 56 HB1 GLU 56 10.886 -6.457 -8.568 388 1HG GLU 56 HG2 GLU 56 10.439 -7.340 -10.540 389 2HG GLU 56 HG1 GLU 56 8.720 -7.334 -10.152 390 H ASP 57 HN ASP 57 10.057 -7.796 -5.976 391 HA ASP 57 HA ASP 57 9.718 -10.395 -7.165 392 1HB ASP 57 HB2 ASP 57 11.782 -9.880 -5.982 393 2HB ASP 57 HB1 ASP 57 10.886 -9.573 -4.498 394 H GLY 58 HN GLY 58 9.021 -9.432 -3.796 395 1HA GLY 58 HA2 GLY 58 7.133 -11.473 -3.403 396 2HA GLY 58 HA1 GLY 58 7.343 -10.063 -2.378 397 H ILE 59 HN ILE 59 6.528 -7.981 -3.649 398 HA ILE 59 HA ILE 59 3.718 -8.328 -3.965 399 HB ILE 59 HB ILE 59 5.384 -5.847 -4.506 400 1HG1 ILE 59 2HG1 ILE 59 4.634 -5.413 -2.029 401 2HG1 ILE 59 1HG1 ILE 59 4.602 -7.158 -1.929 402 1HG2 ILE 59 1HG2 ILE 59 3.185 -4.864 -3.476 403 2HG2 ILE 59 2HG2 ILE 59 2.494 -6.409 -3.974 404 3HG2 ILE 59 3HG2 ILE 59 3.234 -5.344 -5.172 405 1HD1 ILE 59 1HD1 ILE 59 7.016 -6.190 -3.151 406 2HD1 ILE 59 2HD1 ILE 59 6.809 -7.245 -1.761 407 3HD1 ILE 59 3HD1 ILE 59 6.775 -5.497 -1.554 408 H LYS 60 HN LYS 60 5.086 -9.749 -5.745 409 HA LYS 60 HA LYS 60 5.373 -8.734 -8.369 410 1HB LYS 60 HB2 LYS 60 4.686 -11.413 -7.240 411 2HB LYS 60 HB1 LYS 60 4.282 -11.142 -8.929 412 1HG LYS 60 HG2 LYS 60 6.998 -10.348 -8.176 413 2HG LYS 60 HG1 LYS 60 6.662 -12.071 -8.036 414 1HD LYS 60 HD2 LYS 60 5.533 -11.446 -10.453 415 2HD LYS 60 HD1 LYS 60 6.953 -10.399 -10.418 416 1HE LYS 60 HE2 LYS 60 7.368 -12.625 -11.447 417 2HE LYS 60 HE1 LYS 60 8.403 -12.272 -10.063 418 1HZ LYS 60 HZ1 LYS 60 7.251 -14.566 -10.257 419 2HZ LYS 60 HZ2 LYS 60 5.893 -13.755 -9.661 420 3HZ LYS 60 HZ3 LYS 60 7.319 -13.798 -8.751 421 H GLY 61 HN GLY 61 2.655 -10.190 -6.743 422 1HA GLY 61 HA2 GLY 61 0.461 -9.110 -6.662 423 2HA GLY 61 HA1 GLY 61 0.753 -8.585 -8.320 424 H HIS 62 HN HIS 62 1.545 -11.675 -6.937 425 HA HIS 62 HA HIS 62 -0.485 -12.946 -8.675 426 1HB HIS 62 HB2 HIS 62 1.106 -14.810 -9.037 427 2HB HIS 62 HB1 HIS 62 1.698 -13.279 -9.668 428 HD2 HIS 62 HD2 HIS 62 2.393 -13.121 -6.015 429 HE1 HIS 62 HE1 HIS 62 5.793 -15.026 -7.691 430 HE2 HIS 62 HE2 HIS 62 4.863 -13.812 -5.689 431 H LYS 63 HN LYS 63 -0.224 -12.290 -5.675 432 HA LYS 63 HA LYS 63 -1.336 -14.826 -4.791 433 1HB LYS 63 HB2 LYS 63 0.859 -13.461 -3.224 434 2HB LYS 63 HB1 LYS 63 0.013 -14.936 -2.785 435 1HG LYS 63 HG2 LYS 63 1.005 -15.618 -5.209 436 2HG LYS 63 HG1 LYS 63 2.257 -14.524 -4.615 437 1HD LYS 63 HD2 LYS 63 2.656 -15.841 -2.713 438 2HD LYS 63 HD1 LYS 63 1.155 -16.742 -2.918 439 1HE LYS 63 HE2 LYS 63 2.623 -17.122 -5.279 440 2HE LYS 63 HE1 LYS 63 3.777 -17.294 -3.958 441 1HZ LYS 63 HZ1 LYS 63 1.286 -18.829 -4.407 442 2HZ LYS 63 HZ2 LYS 63 2.102 -18.840 -2.926 443 3HZ LYS 63 HZ3 LYS 63 2.871 -19.416 -4.317 444 H ALA 64 HN ALA 64 -3.256 -13.480 -4.920 445 HA ALA 64 HA ALA 64 -3.651 -11.141 -3.436 446 1HB ALA 64 HB1 ALA 64 -5.772 -13.175 -4.083 447 2HB ALA 64 HB2 ALA 64 -5.125 -12.033 -5.260 448 3HB ALA 64 HB3 ALA 64 -5.977 -11.440 -3.835 449 H GLY 65 HN GLY 65 -2.983 -11.199 -1.311 450 1HA GLY 65 HA2 GLY 65 -3.736 -11.405 0.936 451 2HA GLY 65 HA1 GLY 65 -4.640 -12.836 0.474 452 H GLU 66 HN GLU 66 -1.258 -12.197 -0.267 453 HA GLU 66 HA GLU 66 -0.541 -14.625 1.215 454 1HB GLU 66 HB2 GLU 66 0.058 -14.136 -1.271 455 2HB GLU 66 HB1 GLU 66 1.340 -13.152 -0.588 456 1HG GLU 66 HG2 GLU 66 1.377 -15.647 0.742 457 2HG GLU 66 HG1 GLU 66 1.264 -15.964 -0.989 458 H GLU 67 HN GLU 67 1.569 -14.620 2.350 459 HA GLU 67 HA GLU 67 2.239 -11.994 3.490 460 1HB GLU 67 HB2 GLU 67 0.845 -13.545 5.012 461 2HB GLU 67 HB1 GLU 67 2.306 -14.518 5.129 462 1HG GLU 67 HG2 GLU 67 3.220 -11.989 5.663 463 2HG GLU 67 HG1 GLU 67 1.626 -11.995 6.413 464 H PHE 68 HN PHE 68 4.174 -11.592 2.618 465 HA PHE 68 HA PHE 68 6.279 -13.630 2.945 466 1HB PHE 68 HB2 PHE 68 7.171 -12.914 0.708 467 2HB PHE 68 HB1 PHE 68 5.635 -13.778 0.640 468 HD1 PHE 68 HD1 PHE 68 3.622 -12.677 -0.009 469 HD2 PHE 68 HD2 PHE 68 7.273 -10.532 0.294 470 HE1 PHE 68 HE1 PHE 68 2.602 -10.804 -1.209 471 HE2 PHE 68 HE2 PHE 68 6.257 -8.639 -0.913 472 HZ PHE 68 HZ PHE 68 3.915 -8.775 -1.667 473 H THR 69 HN THR 69 8.494 -12.669 2.621 474 HA THR 69 HA THR 69 8.581 -9.870 3.506 475 HB THR 69 HB THR 69 10.274 -12.149 4.547 476 HG1 THR 69 HG1 THR 69 8.019 -11.786 5.337 477 1HG2 THR 69 1HG2 THR 69 11.165 -9.618 4.359 478 2HG2 THR 69 2HG2 THR 69 11.622 -10.738 5.643 479 3HG2 THR 69 3HG2 THR 69 10.342 -9.555 5.916 480 H ILE 70 HN ILE 70 9.910 -8.578 2.336 481 HA ILE 70 HA ILE 70 12.049 -9.896 0.801 482 HB ILE 70 HB ILE 70 11.581 -8.639 -1.185 483 1HG1 ILE 70 2HG1 ILE 70 10.654 -6.621 -0.012 484 2HG1 ILE 70 1HG1 ILE 70 9.746 -7.111 -1.435 485 1HG2 ILE 70 1HG2 ILE 70 10.176 -10.205 -1.871 486 2HG2 ILE 70 2HG2 ILE 70 8.851 -9.505 -0.941 487 3HG2 ILE 70 3HG2 ILE 70 9.941 -10.665 -0.184 488 1HD1 ILE 70 1HD1 ILE 70 8.967 -7.106 1.408 489 2HD1 ILE 70 2HD1 ILE 70 8.356 -8.430 0.415 490 3HD1 ILE 70 3HD1 ILE 70 8.016 -6.760 -0.039 491 H ASP 71 HN ASP 71 13.560 -8.247 -0.157 492 HA ASP 71 HA ASP 71 14.187 -6.286 1.914 493 1HB ASP 71 HB2 ASP 71 16.364 -6.096 0.686 494 2HB ASP 71 HB1 ASP 71 16.033 -7.723 1.271 495 H VAL 72 HN VAL 72 14.451 -4.056 1.390 496 HA VAL 72 HA VAL 72 13.757 -3.255 -1.323 497 HB VAL 72 HB VAL 72 12.176 -1.480 -0.265 498 1HG1 VAL 72 1HG1 VAL 72 11.491 -3.154 -1.883 499 2HG1 VAL 72 2HG1 VAL 72 10.257 -2.956 -0.636 500 3HG1 VAL 72 3HG1 VAL 72 11.334 -4.356 -0.602 501 1HG2 VAL 72 1HG2 VAL 72 12.828 -2.522 2.067 502 2HG2 VAL 72 2HG2 VAL 72 11.505 -3.623 1.684 503 3HG2 VAL 72 3HG2 VAL 72 11.211 -1.887 1.765 504 H THR 73 HN THR 73 14.921 -1.554 -1.980 505 HA THR 73 HA THR 73 15.821 0.434 -0.090 506 HB THR 73 HB THR 73 17.689 -1.355 -1.652 507 HG1 THR 73 HG1 THR 73 18.086 -2.085 0.256 508 1HG2 THR 73 1HG2 THR 73 18.127 1.438 -0.746 509 2HG2 THR 73 2HG2 THR 73 18.740 0.599 -2.171 510 3HG2 THR 73 3HG2 THR 73 19.445 0.276 -0.588 511 H PHE 74 HN PHE 74 15.459 2.343 -1.050 512 HA PHE 74 HA PHE 74 14.895 2.389 -3.879 513 1HB PHE 74 HB2 PHE 74 14.634 4.440 -1.698 514 2HB PHE 74 HB1 PHE 74 14.255 4.773 -3.385 515 HD1 PHE 74 HD1 PHE 74 13.538 2.044 -0.921 516 HD2 PHE 74 HD2 PHE 74 12.043 4.676 -3.899 517 HE1 PHE 74 HE1 PHE 74 11.287 1.095 -0.623 518 HE2 PHE 74 HE2 PHE 74 9.787 3.743 -3.610 519 HZ PHE 74 HZ PHE 74 9.404 1.951 -1.966 520 HA PRO 75 HA PRO 75 18.960 3.726 -5.037 521 1HB PRO 75 HB2 PRO 75 18.357 4.652 -7.525 522 2HB PRO 75 HB1 PRO 75 18.516 2.934 -7.140 523 1HG PRO 75 HG2 PRO 75 16.043 4.599 -7.400 524 2HG PRO 75 HG1 PRO 75 16.355 2.956 -7.993 525 1HD PRO 75 HD2 PRO 75 14.937 3.429 -5.747 526 2HD PRO 75 HD1 PRO 75 15.977 2.001 -5.927 527 H GLU 76 HN GLU 76 19.990 5.703 -6.068 528 HA GLU 76 HA GLU 76 19.218 8.005 -4.582 529 1HB GLU 76 HB2 GLU 76 21.504 7.120 -6.053 530 2HB GLU 76 HB1 GLU 76 21.069 8.729 -6.610 531 1HG GLU 76 HG2 GLU 76 21.006 9.386 -4.154 532 2HG GLU 76 HG1 GLU 76 21.818 7.851 -3.844 533 H GLU 77 HN GLU 77 18.253 6.771 -7.583 534 HA GLU 77 HA GLU 77 17.619 9.350 -8.743 535 1HB GLU 77 HB2 GLU 77 16.567 7.889 -10.555 536 2HB GLU 77 HB1 GLU 77 18.311 7.800 -10.359 537 1HG GLU 77 HG2 GLU 77 17.164 5.825 -8.688 538 2HG GLU 77 HG1 GLU 77 16.393 5.717 -10.264 539 H TYR 78 HN TYR 78 15.962 6.726 -7.094 540 HA TYR 78 HA TYR 78 13.314 7.517 -7.704 541 1HB TYR 78 HB2 TYR 78 14.136 5.307 -6.663 542 2HB TYR 78 HB1 TYR 78 14.120 6.166 -5.130 543 HD1 TYR 78 HD1 TYR 78 12.237 4.234 -7.387 544 HD2 TYR 78 HD2 TYR 78 11.849 7.325 -4.483 545 HE1 TYR 78 HE1 TYR 78 9.842 3.722 -7.170 546 HE2 TYR 78 HE2 TYR 78 9.453 6.822 -4.265 547 HH TYR 78 HH TYR 78 7.977 4.683 -4.676 548 H HIS 79 HN HIS 79 14.930 7.774 -4.569 549 HA HIS 79 HA HIS 79 14.495 9.141 -2.800 550 1HB HIS 79 HB2 HIS 79 15.410 10.851 -5.067 551 2HB HIS 79 HB1 HIS 79 15.075 11.573 -3.493 552 HD2 HIS 79 HD2 HIS 79 16.607 8.096 -3.148 553 HE1 HIS 79 HE1 HIS 79 19.778 10.889 -2.715 554 HE2 HIS 79 HE2 HIS 79 19.096 8.469 -2.541 555 H ALA 80 HN ALA 80 12.159 8.648 -2.713 556 HA ALA 80 HA ALA 80 10.330 10.609 -3.783 557 1HB ALA 80 HB1 ALA 80 9.123 8.960 -1.780 558 2HB ALA 80 HB2 ALA 80 10.125 7.966 -2.836 559 3HB ALA 80 HB3 ALA 80 8.851 8.973 -3.523 560 H GLU 81 HN GLU 81 9.059 12.038 -2.541 561 HA GLU 81 HA GLU 81 10.381 13.516 -0.621 562 1HB GLU 81 HB2 GLU 81 7.488 13.298 -1.374 563 2HB GLU 81 HB1 GLU 81 7.992 14.356 -0.062 564 1HG GLU 81 HG2 GLU 81 8.737 15.905 -1.468 565 2HG GLU 81 HG1 GLU 81 9.600 14.721 -2.448 566 H ASN 82 HN ASN 82 8.388 10.678 -0.144 567 HA ASN 82 HA ASN 82 8.270 11.169 2.725 568 1HB ASN 82 HB2 ASN 82 6.850 9.088 2.732 569 2HB ASN 82 HB1 ASN 82 6.212 10.444 1.809 570 1HD2 ASN 82 1HD2 ASN 82 8.117 7.494 1.461 571 2HD2 ASN 82 2HD2 ASN 82 7.546 7.097 -0.119 572 H LEU 83 HN LEU 83 9.783 8.841 0.510 573 HA LEU 83 HA LEU 83 11.327 7.875 2.815 574 1HB LEU 83 HB2 LEU 83 10.997 5.632 2.352 575 2HB LEU 83 HB1 LEU 83 9.414 6.348 2.173 576 HG LEU 83 HG LEU 83 9.377 5.010 0.349 577 1HD1 LEU 83 1HD1 LEU 83 9.391 6.260 -1.502 578 2HD1 LEU 83 2HD1 LEU 83 11.063 6.774 -1.285 579 3HD1 LEU 83 3HD1 LEU 83 9.769 7.575 -0.399 580 1HD2 LEU 83 1HD2 LEU 83 11.288 4.226 -0.859 581 2HD2 LEU 83 2HD2 LEU 83 11.527 3.995 0.864 582 3HD2 LEU 83 3HD2 LEU 83 12.344 5.313 0.023 583 H LYS 84 HN LYS 84 11.863 9.600 0.368 584 HA LYS 84 HA LYS 84 13.393 8.671 -1.575 585 1HB LYS 84 HB2 LYS 84 14.981 10.618 -1.211 586 2HB LYS 84 HB1 LYS 84 13.278 11.009 -1.365 587 1HG LYS 84 HG2 LYS 84 13.122 11.770 0.746 588 2HG LYS 84 HG1 LYS 84 14.234 10.554 1.380 589 1HD LYS 84 HD2 LYS 84 16.041 11.878 1.100 590 2HD LYS 84 HD1 LYS 84 15.438 12.553 -0.414 591 1HE LYS 84 HE2 LYS 84 15.370 14.385 0.988 592 2HE LYS 84 HE1 LYS 84 13.724 13.766 1.114 593 1HZ LYS 84 HZ1 LYS 84 14.184 12.811 3.197 594 2HZ LYS 84 HZ2 LYS 84 14.850 14.366 3.264 595 3HZ LYS 84 HZ3 LYS 84 15.855 13.025 3.032 596 H GLY 85 HN GLY 85 15.086 7.443 -1.944 597 1HA GLY 85 HA2 GLY 85 16.814 5.981 -1.531 598 2HA GLY 85 HA1 GLY 85 17.515 7.363 -0.710 599 H LYS 86 HN LYS 86 14.850 5.104 0.035 600 HA LYS 86 HA LYS 86 15.943 4.875 2.742 601 1HB LYS 86 HB2 LYS 86 13.506 5.481 2.294 602 2HB LYS 86 HB1 LYS 86 13.291 3.803 1.824 603 1HG LYS 86 HG2 LYS 86 14.547 4.373 4.452 604 2HG LYS 86 HG1 LYS 86 12.813 4.640 4.274 605 1HD LYS 86 HD2 LYS 86 14.283 2.074 3.686 606 2HD LYS 86 HD1 LYS 86 13.279 2.391 5.101 607 1HE LYS 86 HE2 LYS 86 11.610 1.508 3.916 608 2HE LYS 86 HE1 LYS 86 11.609 3.021 3.016 609 1HZ LYS 86 HZ1 LYS 86 13.588 1.295 1.984 610 2HZ LYS 86 HZ2 LYS 86 12.236 1.942 1.204 611 3HZ LYS 86 HZ3 LYS 86 12.107 0.477 2.039 612 H ALA 87 HN ALA 87 17.595 3.380 2.504 613 HA ALA 87 HA ALA 87 17.114 0.823 1.236 614 1HB ALA 87 HB1 ALA 87 19.455 1.089 3.000 615 2HB ALA 87 HB2 ALA 87 19.379 2.261 1.682 616 3HB ALA 87 HB3 ALA 87 19.351 0.533 1.330 617 H ALA 88 HN ALA 88 15.567 -0.338 2.341 618 HA ALA 88 HA ALA 88 16.217 -0.993 5.131 619 1HB ALA 88 HB1 ALA 88 14.594 0.810 5.170 620 2HB ALA 88 HB2 ALA 88 13.905 -0.673 5.813 621 3HB ALA 88 HB3 ALA 88 13.493 -0.146 4.184 622 H LYS 89 HN LYS 89 14.296 -2.487 5.904 623 HA LYS 89 HA LYS 89 14.060 -4.741 4.016 624 1HB LYS 89 HB2 LYS 89 15.008 -4.656 6.822 625 2HB LYS 89 HB1 LYS 89 13.887 -5.956 6.444 626 1HG LYS 89 HG2 LYS 89 15.353 -6.728 4.665 627 2HG LYS 89 HG1 LYS 89 16.470 -5.402 5.000 628 1HD LYS 89 HD2 LYS 89 15.684 -7.422 7.086 629 2HD LYS 89 HD1 LYS 89 17.055 -7.664 6.000 630 1HE LYS 89 HE2 LYS 89 18.288 -5.987 6.961 631 2HE LYS 89 HE1 LYS 89 16.862 -5.096 7.494 632 1HZ LYS 89 HZ1 LYS 89 16.853 -6.151 9.441 633 2HZ LYS 89 HZ2 LYS 89 18.432 -6.635 9.073 634 3HZ LYS 89 HZ3 LYS 89 17.134 -7.669 8.747 635 H PHE 90 HN PHE 90 12.009 -5.709 3.925 636 HA PHE 90 HA PHE 90 9.968 -4.674 5.772 637 1HB PHE 90 HB2 PHE 90 9.656 -4.805 2.770 638 2HB PHE 90 HB1 PHE 90 8.332 -4.567 3.896 639 HD1 PHE 90 HD1 PHE 90 8.332 -2.784 1.912 640 HD2 PHE 90 HD2 PHE 90 10.848 -2.720 5.317 641 HE1 PHE 90 HE1 PHE 90 8.548 -0.331 1.702 642 HE2 PHE 90 HE2 PHE 90 11.086 -0.278 5.124 643 HZ PHE 90 HZ PHE 90 9.928 0.919 3.309 644 H ALA 91 HN ALA 91 8.123 -6.044 6.046 645 HA ALA 91 HA ALA 91 8.311 -8.691 4.806 646 1HB ALA 91 HB1 ALA 91 7.116 -8.263 7.526 647 2HB ALA 91 HB2 ALA 91 8.857 -8.485 7.361 648 3HB ALA 91 HB3 ALA 91 7.753 -9.747 6.815 649 H ILE 92 HN ILE 92 6.798 -8.464 3.299 650 HA ILE 92 HA ILE 92 4.404 -6.906 3.867 651 HB ILE 92 HB ILE 92 5.382 -7.993 1.236 652 1HG1 ILE 92 2HG1 ILE 92 6.118 -5.548 2.775 653 2HG1 ILE 92 1HG1 ILE 92 7.117 -6.592 1.807 654 1HG2 ILE 92 1HG2 ILE 92 3.313 -5.933 1.943 655 2HG2 ILE 92 2HG2 ILE 92 3.086 -7.462 1.091 656 3HG2 ILE 92 3HG2 ILE 92 3.968 -6.147 0.318 657 1HD1 ILE 92 1HD1 ILE 92 5.494 -5.510 -0.078 658 2HD1 ILE 92 2HD1 ILE 92 7.092 -4.902 0.357 659 3HD1 ILE 92 3HD1 ILE 92 5.650 -4.183 1.074 660 H ASN 93 HN ASN 93 2.386 -7.475 2.962 661 HA ASN 93 HA ASN 93 1.840 -10.321 2.604 662 1HB ASN 93 HB2 ASN 93 1.276 -9.778 4.946 663 2HB ASN 93 HB1 ASN 93 0.245 -8.466 4.391 664 1HD2 ASN 93 1HD2 ASN 93 -1.697 -8.964 3.321 665 2HD2 ASN 93 2HD2 ASN 93 -2.443 -10.512 3.494 666 H LEU 94 HN LEU 94 1.278 -10.265 0.484 667 HA LEU 94 HA LEU 94 0.073 -8.058 -0.796 668 1HB LEU 94 HB2 LEU 94 1.451 -9.827 -1.887 669 2HB LEU 94 HB1 LEU 94 0.094 -10.922 -1.733 670 HG LEU 94 HG LEU 94 -1.212 -9.182 -3.113 671 1HD1 LEU 94 1HD1 LEU 94 -0.166 -7.419 -3.998 672 2HD1 LEU 94 2HD1 LEU 94 1.248 -8.374 -4.441 673 3HD1 LEU 94 3HD1 LEU 94 1.100 -7.725 -2.814 674 1HD2 LEU 94 1HD2 LEU 94 0.256 -11.423 -3.774 675 2HD2 LEU 94 2HD2 LEU 94 0.799 -10.212 -4.935 676 3HD2 LEU 94 3HD2 LEU 94 -0.918 -10.601 -4.805 677 H LYS 95 HN LYS 95 -2.020 -7.908 -1.802 678 HA LYS 95 HA LYS 95 -4.084 -9.677 -0.789 679 1HB LYS 95 HB2 LYS 95 -4.054 -6.716 -0.194 680 2HB LYS 95 HB1 LYS 95 -5.464 -7.746 0.004 681 1HG LYS 95 HG2 LYS 95 -3.784 -9.157 1.475 682 2HG LYS 95 HG1 LYS 95 -2.983 -7.591 1.620 683 1HD LYS 95 HD2 LYS 95 -5.922 -7.963 2.145 684 2HD LYS 95 HD1 LYS 95 -4.702 -8.161 3.404 685 1HE LYS 95 HE2 LYS 95 -4.288 -5.704 1.952 686 2HE LYS 95 HE1 LYS 95 -5.932 -5.788 2.581 687 1HZ LYS 95 HZ1 LYS 95 -3.672 -6.463 4.339 688 2HZ LYS 95 HZ2 LYS 95 -5.199 -5.856 4.742 689 3HZ LYS 95 HZ3 LYS 95 -4.043 -4.837 4.046 690 H LYS 96 HN LYS 96 -5.265 -6.640 -1.754 691 HA LYS 96 HA LYS 96 -6.487 -7.782 -4.042 692 1HB LYS 96 HB2 LYS 96 -6.382 -4.954 -3.014 693 2HB LYS 96 HB1 LYS 96 -7.292 -5.418 -4.445 694 1HG LYS 96 HG2 LYS 96 -8.608 -6.980 -3.090 695 2HG LYS 96 HG1 LYS 96 -7.713 -6.474 -1.657 696 1HD LYS 96 HD2 LYS 96 -8.483 -4.097 -2.283 697 2HD LYS 96 HD1 LYS 96 -9.664 -4.908 -3.313 698 1HE LYS 96 HE2 LYS 96 -10.963 -5.366 -1.566 699 2HE LYS 96 HE1 LYS 96 -9.620 -6.103 -0.693 700 1HZ LYS 96 HZ1 LYS 96 -10.613 -3.341 -0.592 701 2HZ LYS 96 HZ2 LYS 96 -8.974 -3.627 -0.289 702 3HZ LYS 96 HZ3 LYS 96 -10.151 -4.367 0.674 703 H VAL 97 HN VAL 97 -5.240 -8.345 -5.723 704 HA VAL 97 HA VAL 97 -3.432 -6.341 -6.875 705 HB VAL 97 HB VAL 97 -2.163 -8.275 -6.372 706 1HG1 VAL 97 1HG1 VAL 97 -4.642 -9.686 -6.921 707 2HG1 VAL 97 2HG1 VAL 97 -3.276 -10.154 -5.908 708 3HG1 VAL 97 3HG1 VAL 97 -3.241 -10.478 -7.640 709 1HG2 VAL 97 1HG2 VAL 97 -2.596 -9.216 -9.089 710 2HG2 VAL 97 2HG2 VAL 97 -1.181 -8.448 -8.371 711 3HG2 VAL 97 3HG2 VAL 97 -2.498 -7.458 -8.992 712 H GLU 98 HN GLU 98 -4.569 -5.252 -8.386 713 HA GLU 98 HA GLU 98 -6.093 -6.832 -10.352 714 1HB GLU 98 HB2 GLU 98 -6.787 -4.093 -9.282 715 2HB GLU 98 HB1 GLU 98 -7.674 -4.955 -10.534 716 1HG GLU 98 HG2 GLU 98 -8.438 -6.578 -9.018 717 2HG GLU 98 HG1 GLU 98 -7.272 -6.093 -7.789 718 H GLU 99 HN GLU 99 -6.627 -5.010 -12.281 719 HA GLU 99 HA GLU 99 -3.938 -4.156 -13.101 720 1HB GLU 99 HB2 GLU 99 -4.959 -5.903 -14.507 721 2HB GLU 99 HB1 GLU 99 -6.290 -4.809 -14.860 722 1HG GLU 99 HG2 GLU 99 -3.801 -3.520 -15.434 723 2HG GLU 99 HG1 GLU 99 -3.875 -5.082 -16.247 724 H ARG 100 HN ARG 100 -3.952 -2.121 -12.208 725 HA ARG 100 HA ARG 100 -5.996 -0.210 -12.567 726 1HB ARG 100 HB2 ARG 100 -4.391 1.399 -11.763 727 2HB ARG 100 HB1 ARG 100 -4.196 -0.091 -10.850 728 1HG ARG 100 HG2 ARG 100 -2.044 -0.096 -11.365 729 2HG ARG 100 HG1 ARG 100 -2.469 -0.279 -13.063 730 1HD ARG 100 HD2 ARG 100 -2.878 2.353 -12.789 731 2HD ARG 100 HD1 ARG 100 -1.632 2.127 -11.564 732 HE ARG 100 HE ARG 100 -1.346 1.588 -14.438 733 1HH1 ARG 100 1HH1 ARG 100 0.102 2.017 -11.281 734 2HH1 ARG 100 2HH1 ARG 100 1.710 2.097 -11.907 735 1HH2 ARG 100 1HH2 ARG 100 0.775 1.684 -15.239 736 2HH2 ARG 100 2HH2 ARG 100 2.096 1.907 -14.142 737 H GLU 101 HN GLU 101 -5.725 1.835 -13.793 738 HA GLU 101 HA GLU 101 -4.004 1.931 -16.057 739 1HB GLU 101 HB2 GLU 101 -6.411 0.478 -16.394 740 2HB GLU 101 HB1 GLU 101 -6.616 2.003 -17.244 741 1HG GLU 101 HG2 GLU 101 -4.067 0.575 -17.672 742 2HG GLU 101 HG1 GLU 101 -5.519 -0.151 -18.360 743 H LEU 102 HN LEU 102 -3.491 3.988 -15.574 744 HA LEU 102 HA LEU 102 -5.413 5.932 -14.782 745 1HB LEU 102 HB2 LEU 102 -2.600 6.383 -15.758 746 2HB LEU 102 HB1 LEU 102 -3.571 7.490 -14.805 747 HG LEU 102 HG LEU 102 -3.055 4.801 -13.662 748 1HD1 LEU 102 1HD1 LEU 102 -0.916 6.256 -14.661 749 2HD1 LEU 102 2HD1 LEU 102 -0.848 4.980 -13.447 750 3HD1 LEU 102 3HD1 LEU 102 -0.960 6.667 -12.946 751 1HD2 LEU 102 1HD2 LEU 102 -3.530 7.578 -12.696 752 2HD2 LEU 102 2HD2 LEU 102 -2.714 6.421 -11.646 753 3HD2 LEU 102 3HD2 LEU 102 -4.334 6.076 -12.248 754 HA PRO 103 HA PRO 103 -7.031 6.736 -18.908 755 1HB PRO 103 HB2 PRO 103 -7.726 9.283 -17.506 756 2HB PRO 103 HB1 PRO 103 -8.729 8.258 -18.540 757 1HG PRO 103 HG2 PRO 103 -9.012 8.200 -15.896 758 2HG PRO 103 HG1 PRO 103 -9.120 6.713 -16.854 759 1HD PRO 103 HD2 PRO 103 -6.923 7.677 -15.092 760 2HD PRO 103 HD1 PRO 103 -7.448 6.019 -15.442 761 H GLU 104 HN GLU 104 -5.706 7.329 -20.493 762 HA GLU 104 HA GLU 104 -3.588 9.218 -20.108 763 1HB GLU 104 HB2 GLU 104 -4.563 7.535 -22.379 764 2HB GLU 104 HB1 GLU 104 -3.471 8.870 -22.722 765 1HG GLU 104 HG2 GLU 104 -2.485 7.336 -20.508 766 2HG GLU 104 HG1 GLU 104 -2.812 6.284 -21.884 767 H LEU 105 HN LEU 105 -6.764 9.266 -21.595 768 HA LEU 105 HA LEU 105 -6.345 12.042 -22.450 769 1HB LEU 105 HB2 LEU 105 -8.121 9.836 -23.315 770 2HB LEU 105 HB1 LEU 105 -8.798 11.451 -23.388 771 HG LEU 105 HG LEU 105 -6.114 11.087 -24.594 772 1HD1 LEU 105 1HD1 LEU 105 -7.022 10.178 -26.655 773 2HD1 LEU 105 2HD1 LEU 105 -8.619 10.050 -25.914 774 3HD1 LEU 105 3HD1 LEU 105 -7.286 9.059 -25.316 775 1HD2 LEU 105 1HD2 LEU 105 -7.025 12.644 -26.229 776 2HD2 LEU 105 2HD2 LEU 105 -7.263 13.250 -24.590 777 3HD2 LEU 105 3HD2 LEU 105 -8.613 12.531 -25.469 778 H THR 106 HN THR 106 -8.667 13.231 -22.358 779 HA THR 106 HA THR 106 -10.257 12.742 -20.062 780 HB THR 106 HB THR 106 -8.357 13.492 -18.801 781 HG1 THR 106 HG1 THR 106 -10.096 15.715 -19.025 782 1HG2 THR 106 1HG2 THR 106 -6.966 14.656 -20.255 783 2HG2 THR 106 2HG2 THR 106 -7.556 15.890 -19.141 784 3HG2 THR 106 3HG2 THR 106 -8.250 15.754 -20.757 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -14.564 14.658 7.102 2 2H GLY 1 HT2 GLY 1 -14.257 13.013 6.852 3 3H GLY 1 HT3 GLY 1 -14.921 13.946 5.611 4 1HA GLY 1 HA1 GLY 1 -12.742 15.351 5.971 5 2HA GLY 1 HA2 GLY 1 -12.161 13.807 6.573 6 H SER 2 HN SER 2 -14.438 14.451 3.924 7 HA SER 2 HA SER 2 -12.650 12.945 2.146 8 1HB SER 2 HB2 SER 2 -14.699 12.745 0.693 9 2HB SER 2 HB1 SER 2 -14.849 11.972 2.271 10 HG SER 2 HG SER 2 -15.724 14.621 1.824 11 H HIS 3 HN HIS 3 -11.274 14.378 1.245 12 HA HIS 3 HA HIS 3 -12.286 16.944 0.291 13 1HB HIS 3 HB2 HIS 3 -9.828 17.362 -0.194 14 2HB HIS 3 HB1 HIS 3 -10.256 17.149 1.501 15 HD2 HIS 3 HD2 HIS 3 -8.655 14.928 -1.356 16 HE1 HIS 3 HE1 HIS 3 -7.282 13.593 2.430 17 HE2 HIS 3 HE2 HIS 3 -7.128 13.286 -0.067 18 H MET 4 HN MET 4 -10.911 13.943 -0.921 19 HA MET 4 HA MET 4 -11.954 14.529 -3.555 20 1HB MET 4 HB2 MET 4 -9.447 15.380 -3.188 21 2HB MET 4 HB1 MET 4 -9.098 13.698 -3.565 22 1HG MET 4 HG2 MET 4 -10.928 14.480 -5.500 23 2HG MET 4 HG1 MET 4 -9.860 15.869 -5.309 24 1HE MET 4 HE1 MET 4 -8.179 15.725 -7.693 25 2HE MET 4 HE2 MET 4 -6.733 15.081 -6.920 26 3HE MET 4 HE3 MET 4 -7.795 16.171 -6.030 27 H GLN 5 HN GLN 5 -13.089 12.746 -3.928 28 HA GLN 5 HA GLN 5 -12.470 10.219 -2.776 29 1HB GLN 5 HB2 GLN 5 -14.318 9.383 -4.219 30 2HB GLN 5 HB1 GLN 5 -14.767 10.771 -3.240 31 1HG GLN 5 HG2 GLN 5 -14.716 12.225 -5.094 32 2HG GLN 5 HG1 GLN 5 -13.890 11.034 -6.097 33 1HE2 GLN 5 1HE2 GLN 5 -16.771 12.467 -5.552 34 2HE2 GLN 5 2HE2 GLN 5 -17.833 11.253 -6.174 35 H ALA 6 HN ALA 6 -11.120 8.697 -3.476 36 HA ALA 6 HA ALA 6 -9.796 9.043 -6.034 37 1HB ALA 6 HB1 ALA 6 -8.549 8.466 -3.947 38 2HB ALA 6 HB2 ALA 6 -8.254 7.375 -5.302 39 3HB ALA 6 HB3 ALA 6 -9.324 6.883 -3.989 40 H THR 7 HN THR 7 -9.883 7.645 -7.753 41 HA THR 7 HA THR 7 -11.784 5.412 -7.571 42 HB THR 7 HB THR 7 -13.015 7.165 -8.638 43 HG1 THR 7 HG1 THR 7 -11.989 5.497 -10.686 44 1HG2 THR 7 1HG2 THR 7 -10.809 7.459 -10.656 45 2HG2 THR 7 2HG2 THR 7 -11.068 8.560 -9.302 46 3HG2 THR 7 3HG2 THR 7 -12.303 8.389 -10.548 47 H TRP 8 HN TRP 8 -11.480 3.750 -9.178 48 HA TRP 8 HA TRP 8 -8.894 3.782 -10.543 49 1HB TRP 8 HB2 TRP 8 -9.851 1.667 -8.618 50 2HB TRP 8 HB1 TRP 8 -8.547 1.397 -9.770 51 HD1 TRP 8 HD1 TRP 8 -9.357 4.005 -7.004 52 HE1 TRP 8 HE1 TRP 8 -7.163 4.565 -5.794 53 HE3 TRP 8 HE3 TRP 8 -6.161 1.093 -9.735 54 HZ2 TRP 8 HZ2 TRP 8 -4.427 3.864 -5.972 55 HZ3 TRP 8 HZ3 TRP 8 -3.780 1.103 -9.153 56 HH2 TRP 8 HH2 TRP 8 -2.932 2.453 -7.309 57 H LYS 9 HN LYS 9 -8.707 1.625 -11.839 58 HA LYS 9 HA LYS 9 -11.284 0.837 -12.988 59 1HB LYS 9 HB2 LYS 9 -9.027 1.389 -14.867 60 2HB LYS 9 HB1 LYS 9 -10.758 1.399 -15.170 61 1HG LYS 9 HG2 LYS 9 -9.698 3.479 -13.350 62 2HG LYS 9 HG1 LYS 9 -9.304 3.615 -15.063 63 1HD LYS 9 HD2 LYS 9 -12.122 3.107 -14.191 64 2HD LYS 9 HD1 LYS 9 -11.459 4.743 -14.170 65 1HE LYS 9 HE2 LYS 9 -10.776 4.340 -16.579 66 2HE LYS 9 HE1 LYS 9 -11.788 2.898 -16.522 67 1HZ LYS 9 HZ1 LYS 9 -12.665 5.706 -16.126 68 2HZ LYS 9 HZ2 LYS 9 -13.659 4.359 -15.883 69 3HZ LYS 9 HZ3 LYS 9 -13.050 4.692 -17.425 70 H GLU 10 HN GLU 10 -8.891 -0.235 -11.367 71 HA GLU 10 HA GLU 10 -7.634 -2.182 -12.959 72 1HB GLU 10 HB2 GLU 10 -6.849 -3.118 -10.829 73 2HB GLU 10 HB1 GLU 10 -6.618 -1.382 -10.919 74 1HG GLU 10 HG2 GLU 10 -9.024 -1.454 -9.739 75 2HG GLU 10 HG1 GLU 10 -8.345 -2.967 -9.142 76 H LYS 11 HN LYS 11 -8.105 -4.212 -13.463 77 HA LYS 11 HA LYS 11 -10.752 -5.155 -13.297 78 1HB LYS 11 HB2 LYS 11 -8.299 -6.830 -13.854 79 2HB LYS 11 HB1 LYS 11 -9.945 -7.137 -14.388 80 1HG LYS 11 HG2 LYS 11 -9.835 -5.094 -15.774 81 2HG LYS 11 HG1 LYS 11 -8.147 -4.902 -15.300 82 1HD LYS 11 HD2 LYS 11 -8.215 -5.977 -17.444 83 2HD LYS 11 HD1 LYS 11 -7.690 -7.160 -16.245 84 1HE LYS 11 HE2 LYS 11 -9.603 -8.384 -16.414 85 2HE LYS 11 HE1 LYS 11 -10.596 -6.981 -16.808 86 1HZ LYS 11 HZ1 LYS 11 -10.408 -8.422 -18.709 87 2HZ LYS 11 HZ2 LYS 11 -8.718 -8.374 -18.641 88 3HZ LYS 11 HZ3 LYS 11 -9.589 -6.976 -19.028 89 H ASP 12 HN ASP 12 -10.039 -7.993 -12.676 90 HA ASP 12 HA ASP 12 -9.608 -7.816 -9.785 91 1HB ASP 12 HB2 ASP 12 -11.470 -9.458 -9.455 92 2HB ASP 12 HB1 ASP 12 -12.003 -7.876 -10.020 93 H GLY 13 HN GLY 13 -8.086 -8.810 -12.222 94 1HA GLY 13 HA2 GLY 13 -7.840 -11.647 -11.498 95 2HA GLY 13 HA1 GLY 13 -7.260 -10.919 -12.988 96 H ALA 14 HN ALA 14 -5.259 -12.028 -12.540 97 HA ALA 14 HA ALA 14 -3.706 -11.463 -10.236 98 1HB ALA 14 HB1 ALA 14 -2.863 -13.349 -11.109 99 2HB ALA 14 HB2 ALA 14 -1.863 -12.258 -12.069 100 3HB ALA 14 HB3 ALA 14 -3.345 -12.926 -12.752 101 H VAL 15 HN VAL 15 -1.239 -10.777 -10.962 102 HA VAL 15 HA VAL 15 -1.402 -7.945 -11.337 103 HB VAL 15 HB VAL 15 0.354 -8.963 -9.953 104 1HG1 VAL 15 1HG1 VAL 15 2.305 -9.691 -11.815 105 2HG1 VAL 15 2HG1 VAL 15 0.828 -10.505 -12.331 106 3HG1 VAL 15 3HG1 VAL 15 1.445 -10.748 -10.696 107 1HG2 VAL 15 1HG2 VAL 15 0.565 -6.803 -11.645 108 2HG2 VAL 15 2HG2 VAL 15 2.059 -7.695 -11.931 109 3HG2 VAL 15 3HG2 VAL 15 1.634 -7.182 -10.299 110 H GLU 16 HN GLU 16 -0.580 -6.705 -13.112 111 HA GLU 16 HA GLU 16 0.018 -8.189 -15.544 112 1HB GLU 16 HB2 GLU 16 -2.242 -6.279 -15.169 113 2HB GLU 16 HB1 GLU 16 -1.384 -6.258 -16.698 114 1HG GLU 16 HG2 GLU 16 -1.923 -8.542 -17.108 115 2HG GLU 16 HG1 GLU 16 -2.590 -8.729 -15.487 116 H ALA 17 HN ALA 17 0.905 -6.767 -17.213 117 HA ALA 17 HA ALA 17 3.247 -5.738 -16.910 118 1HB ALA 17 HB1 ALA 17 2.457 -3.638 -18.385 119 2HB ALA 17 HB2 ALA 17 1.048 -4.683 -18.562 120 3HB ALA 17 HB3 ALA 17 2.644 -5.269 -19.029 121 H GLU 18 HN GLU 18 0.805 -3.129 -16.670 122 HA GLU 18 HA GLU 18 2.435 -2.002 -14.480 123 1HB GLU 18 HB2 GLU 18 0.740 -0.458 -16.437 124 2HB GLU 18 HB1 GLU 18 1.839 0.208 -15.237 125 1HG GLU 18 HG2 GLU 18 3.606 -0.023 -16.568 126 2HG GLU 18 HG1 GLU 18 3.145 -1.658 -17.043 127 H ASP 19 HN ASP 19 0.982 -3.411 -13.132 128 HA ASP 19 HA ASP 19 -1.705 -2.317 -12.740 129 1HB ASP 19 HB2 ASP 19 -0.334 -4.814 -11.759 130 2HB ASP 19 HB1 ASP 19 -1.964 -4.351 -11.290 131 H ARG 20 HN ARG 20 -2.312 -2.864 -10.223 132 HA ARG 20 HA ARG 20 -0.349 -1.646 -8.444 133 1HB ARG 20 HB2 ARG 20 -2.290 -0.084 -9.510 134 2HB ARG 20 HB1 ARG 20 -3.107 -0.672 -8.073 135 1HG ARG 20 HG2 ARG 20 -2.063 0.855 -6.886 136 2HG ARG 20 HG1 ARG 20 -0.516 0.117 -7.289 137 1HD ARG 20 HD2 ARG 20 -0.150 1.569 -9.057 138 2HD ARG 20 HD1 ARG 20 -1.859 1.954 -9.216 139 HE ARG 20 HE ARG 20 -0.915 2.859 -6.722 140 1HH1 ARG 20 1HH1 ARG 20 -0.662 3.559 -10.127 141 2HH1 ARG 20 2HH1 ARG 20 -0.455 5.264 -9.893 142 1HH2 ARG 20 1HH2 ARG 20 -0.657 5.108 -6.408 143 2HH2 ARG 20 2HH2 ARG 20 -0.454 6.143 -7.781 144 H VAL 21 HN VAL 21 -0.133 -3.072 -6.824 145 HA VAL 21 HA VAL 21 -2.371 -4.793 -6.070 146 HB VAL 21 HB VAL 21 -0.672 -5.979 -4.684 147 1HG1 VAL 21 1HG1 VAL 21 0.151 -7.224 -6.448 148 2HG1 VAL 21 2HG1 VAL 21 0.397 -5.804 -7.469 149 3HG1 VAL 21 3HG1 VAL 21 -1.233 -6.411 -7.182 150 1HG2 VAL 21 1HG2 VAL 21 1.716 -5.115 -5.839 151 2HG2 VAL 21 2HG2 VAL 21 1.195 -4.899 -4.168 152 3HG2 VAL 21 3HG2 VAL 21 0.872 -3.643 -5.359 153 H THR 22 HN THR 22 -2.652 -5.262 -3.704 154 HA THR 22 HA THR 22 -2.237 -2.834 -2.080 155 HB THR 22 HB THR 22 -4.572 -4.763 -2.000 156 HG1 THR 22 HG1 THR 22 -4.417 -2.978 -3.640 157 1HG2 THR 22 1HG2 THR 22 -4.886 -4.145 0.101 158 2HG2 THR 22 2HG2 THR 22 -5.197 -2.515 -0.497 159 3HG2 THR 22 3HG2 THR 22 -3.570 -2.970 0.021 160 H ILE 23 HN ILE 23 -0.694 -3.275 -0.616 161 HA ILE 23 HA ILE 23 -0.728 -5.944 0.640 162 HB ILE 23 HB ILE 23 1.695 -5.950 0.682 163 1HG1 ILE 23 2HG1 ILE 23 1.459 -3.314 -0.766 164 2HG1 ILE 23 1HG1 ILE 23 2.150 -3.591 0.831 165 1HG2 ILE 23 1HG2 ILE 23 1.287 -5.331 -2.167 166 2HG2 ILE 23 2HG2 ILE 23 0.181 -6.515 -1.473 167 3HG2 ILE 23 3HG2 ILE 23 1.927 -6.789 -1.403 168 1HD1 ILE 23 1HD1 ILE 23 4.129 -4.082 -0.020 169 2HD1 ILE 23 2HD1 ILE 23 3.512 -3.482 -1.560 170 3HD1 ILE 23 3HD1 ILE 23 3.427 -5.202 -1.182 171 H ASP 24 HN ASP 24 0.237 -6.099 2.718 172 HA ASP 24 HA ASP 24 0.446 -3.572 4.237 173 1HB ASP 24 HB2 ASP 24 -0.453 -4.894 6.206 174 2HB ASP 24 HB1 ASP 24 -1.631 -4.576 4.940 175 H PHE 25 HN PHE 25 2.466 -3.414 5.192 176 HA PHE 25 HA PHE 25 3.844 -5.916 5.861 177 1HB PHE 25 HB2 PHE 25 5.868 -5.280 4.734 178 2HB PHE 25 HB1 PHE 25 4.534 -5.218 3.586 179 HD1 PHE 25 HD1 PHE 25 4.140 -3.310 2.338 180 HD2 PHE 25 HD2 PHE 25 6.613 -3.075 5.797 181 HE1 PHE 25 HE1 PHE 25 4.696 -0.983 1.794 182 HE2 PHE 25 HE2 PHE 25 7.167 -0.735 5.241 183 HZ PHE 25 HZ PHE 25 6.191 0.306 3.232 184 H THR 26 HN THR 26 5.903 -5.563 7.020 185 HA THR 26 HA THR 26 6.054 -3.107 8.587 186 HB THR 26 HB THR 26 5.681 -5.850 9.804 187 HG1 THR 26 HG1 THR 26 3.695 -5.167 9.603 188 1HG2 THR 26 1HG2 THR 26 5.561 -3.801 11.753 189 2HG2 THR 26 2HG2 THR 26 7.087 -3.646 10.881 190 3HG2 THR 26 3HG2 THR 26 6.664 -5.174 11.655 191 H GLY 27 HN GLY 27 8.137 -2.504 8.460 192 1HA GLY 27 HA2 GLY 27 10.236 -4.348 9.173 193 2HA GLY 27 HA1 GLY 27 10.251 -3.912 7.476 194 H SER 28 HN SER 28 12.401 -3.384 9.061 195 HA SER 28 HA SER 28 12.269 -0.480 9.571 196 1HB SER 28 HB2 SER 28 14.593 -2.102 10.496 197 2HB SER 28 HB1 SER 28 13.795 -0.740 11.270 198 HG SER 28 HG SER 28 12.949 -3.436 11.173 199 H VAL 29 HN VAL 29 14.543 0.534 9.326 200 HA VAL 29 HA VAL 29 15.617 -0.266 6.717 201 HB VAL 29 HB VAL 29 14.645 1.853 6.394 202 1HG1 VAL 29 1HG1 VAL 29 16.059 3.435 8.386 203 2HG1 VAL 29 2HG1 VAL 29 14.941 2.267 9.085 204 3HG1 VAL 29 3HG1 VAL 29 14.362 3.448 7.916 205 1HG2 VAL 29 1HG2 VAL 29 16.994 3.316 6.589 206 2HG2 VAL 29 2HG2 VAL 29 16.443 2.374 5.205 207 3HG2 VAL 29 3HG2 VAL 29 17.528 1.648 6.387 208 H ASP 30 HN ASP 30 16.871 1.797 9.356 209 HA ASP 30 HA ASP 30 19.425 0.412 9.077 210 1HB ASP 30 HB2 ASP 30 18.837 3.082 9.371 211 2HB ASP 30 HB1 ASP 30 19.277 2.618 11.011 212 H GLY 31 HN GLY 31 17.180 -0.924 10.303 213 1HA GLY 31 HA2 GLY 31 17.292 -2.528 12.043 214 2HA GLY 31 HA1 GLY 31 18.409 -1.478 12.905 215 H GLU 32 HN GLU 32 16.214 0.644 11.942 216 HA GLU 32 HA GLU 32 14.302 0.103 14.103 217 1HB GLU 32 HB2 GLU 32 15.477 2.833 13.562 218 2HB GLU 32 HB1 GLU 32 14.417 2.369 14.887 219 1HG GLU 32 HG2 GLU 32 16.132 1.749 16.145 220 2HG GLU 32 HG1 GLU 32 16.792 0.743 14.858 221 H GLU 33 HN GLU 33 12.378 -0.047 13.199 222 HA GLU 33 HA GLU 33 11.704 0.701 10.629 223 1HB GLU 33 HB2 GLU 33 9.394 0.261 11.284 224 2HB GLU 33 HB1 GLU 33 10.469 -0.969 11.929 225 1HG GLU 33 HG2 GLU 33 10.378 0.908 13.938 226 2HG GLU 33 HG1 GLU 33 8.733 0.902 13.306 227 H PHE 34 HN PHE 34 11.477 2.620 9.760 228 HA PHE 34 HA PHE 34 11.208 4.978 11.349 229 1HB PHE 34 HB2 PHE 34 11.685 6.151 9.325 230 2HB PHE 34 HB1 PHE 34 12.743 4.752 9.405 231 HD1 PHE 34 HD1 PHE 34 11.322 2.557 8.286 232 HD2 PHE 34 HD2 PHE 34 11.111 6.663 7.181 233 HE1 PHE 34 HE1 PHE 34 10.605 1.909 6.032 234 HE2 PHE 34 HE2 PHE 34 10.391 6.014 4.920 235 HZ PHE 34 HZ PHE 34 10.135 3.636 4.346 236 H GLU 35 HN GLU 35 9.792 6.100 8.839 237 HA GLU 35 HA GLU 35 7.215 6.307 10.025 238 1HB GLU 35 HB2 GLU 35 8.189 7.116 7.278 239 2HB GLU 35 HB1 GLU 35 6.633 7.558 7.965 240 1HG GLU 35 HG2 GLU 35 7.945 8.644 9.848 241 2HG GLU 35 HG1 GLU 35 9.366 8.444 8.820 242 H GLY 36 HN GLY 36 8.336 4.923 6.938 243 1HA GLY 36 HA2 GLY 36 5.835 3.548 6.521 244 2HA GLY 36 HA1 GLY 36 7.262 3.454 5.501 245 H GLY 37 HN GLY 37 7.992 2.893 8.762 246 1HA GLY 37 HA2 GLY 37 8.887 0.294 8.337 247 2HA GLY 37 HA1 GLY 37 8.590 1.015 9.909 248 H LYS 38 HN LYS 38 5.692 1.352 8.646 249 HA LYS 38 HA LYS 38 4.781 -1.389 8.807 250 1HB LYS 38 HB2 LYS 38 4.713 0.295 11.089 251 2HB LYS 38 HB1 LYS 38 3.058 0.124 10.521 252 1HG LYS 38 HG2 LYS 38 2.972 -2.095 11.001 253 2HG LYS 38 HG1 LYS 38 4.693 -2.339 10.706 254 1HD LYS 38 HD2 LYS 38 3.610 -0.835 13.082 255 2HD LYS 38 HD1 LYS 38 3.967 -2.564 13.104 256 1HE LYS 38 HE2 LYS 38 6.289 -1.687 12.138 257 2HE LYS 38 HE1 LYS 38 5.807 -0.238 13.020 258 1HZ LYS 38 HZ1 LYS 38 5.340 -2.384 14.709 259 2HZ LYS 38 HZ2 LYS 38 6.547 -1.208 14.851 260 3HZ LYS 38 HZ3 LYS 38 6.866 -2.651 14.030 261 H ALA 39 HN ALA 39 3.357 -1.659 7.244 262 HA ALA 39 HA ALA 39 1.529 0.540 6.575 263 1HB ALA 39 HB1 ALA 39 3.508 -0.748 4.817 264 2HB ALA 39 HB2 ALA 39 2.744 0.838 4.703 265 3HB ALA 39 HB3 ALA 39 1.884 -0.597 4.140 266 H SER 40 HN SER 40 -0.504 -0.064 5.913 267 HA SER 40 HA SER 40 -1.117 -2.927 6.212 268 1HB SER 40 HB2 SER 40 -3.256 -0.883 6.548 269 2HB SER 40 HB1 SER 40 -3.038 -2.429 7.368 270 HG SER 40 HG SER 40 -1.909 0.071 7.929 271 H ASP 41 HN ASP 41 -2.415 0.016 4.637 272 HA ASP 41 HA ASP 41 -3.322 -1.633 2.419 273 1HB ASP 41 HB2 ASP 41 -4.139 1.157 3.279 274 2HB ASP 41 HB1 ASP 41 -4.719 0.347 1.827 275 H PHE 42 HN PHE 42 -0.939 -1.661 1.893 276 HA PHE 42 HA PHE 42 0.082 0.867 0.871 277 1HB PHE 42 HB2 PHE 42 1.532 -0.778 2.158 278 2HB PHE 42 HB1 PHE 42 1.444 -1.825 0.748 279 HD1 PHE 42 HD1 PHE 42 3.671 -1.852 -0.008 280 HD2 PHE 42 HD2 PHE 42 1.759 1.868 0.819 281 HE1 PHE 42 HE1 PHE 42 5.572 -0.647 -1.005 282 HE2 PHE 42 HE2 PHE 42 3.659 3.071 -0.172 283 HZ PHE 42 HZ PHE 42 5.569 1.815 -1.084 284 H VAL 43 HN VAL 43 -0.689 1.452 -1.053 285 HA VAL 43 HA VAL 43 -1.438 -0.551 -2.999 286 HB VAL 43 HB VAL 43 -1.513 2.452 -3.255 287 1HG1 VAL 43 1HG1 VAL 43 -2.072 0.304 -5.058 288 2HG1 VAL 43 2HG1 VAL 43 -2.167 2.044 -5.338 289 3HG1 VAL 43 3HG1 VAL 43 -3.567 1.174 -4.709 290 1HG2 VAL 43 1HG2 VAL 43 -3.043 2.350 -1.618 291 2HG2 VAL 43 2HG2 VAL 43 -3.226 0.602 -1.764 292 3HG2 VAL 43 3HG2 VAL 43 -4.097 1.674 -2.860 293 H LEU 44 HN LEU 44 0.408 -1.463 -3.769 294 HA LEU 44 HA LEU 44 2.592 0.208 -4.700 295 1HB LEU 44 HB2 LEU 44 2.368 -2.399 -3.693 296 2HB LEU 44 HB1 LEU 44 2.837 -2.590 -5.370 297 HG LEU 44 HG LEU 44 4.327 -1.118 -3.206 298 1HD1 LEU 44 1HD1 LEU 44 4.587 -3.695 -4.613 299 2HD1 LEU 44 2HD1 LEU 44 5.084 -3.228 -2.985 300 3HD1 LEU 44 3HD1 LEU 44 6.074 -2.780 -4.373 301 1HD2 LEU 44 1HD2 LEU 44 5.118 0.254 -4.774 302 2HD2 LEU 44 2HD2 LEU 44 4.310 -0.640 -6.060 303 3HD2 LEU 44 3HD2 LEU 44 5.901 -1.151 -5.497 304 H ALA 45 HN ALA 45 3.046 0.669 -6.753 305 HA ALA 45 HA ALA 45 1.140 -0.196 -8.805 306 1HB ALA 45 HB1 ALA 45 1.959 1.633 -10.135 307 2HB ALA 45 HB2 ALA 45 3.277 1.924 -9.001 308 3HB ALA 45 HB3 ALA 45 1.611 2.226 -8.511 309 H MET 46 HN MET 46 1.772 -2.135 -9.662 310 HA MET 46 HA MET 46 4.469 -2.953 -9.888 311 1HB MET 46 HB2 MET 46 1.886 -4.086 -10.343 312 2HB MET 46 HB1 MET 46 2.889 -4.395 -11.754 313 1HG MET 46 HG2 MET 46 3.616 -5.040 -8.912 314 2HG MET 46 HG1 MET 46 3.031 -6.190 -10.110 315 1HE MET 46 HE1 MET 46 5.944 -5.981 -12.777 316 2HE MET 46 HE2 MET 46 4.317 -5.311 -12.692 317 3HE MET 46 HE3 MET 46 4.593 -7.005 -12.288 318 H GLY 47 HN GLY 47 5.430 -1.156 -10.926 319 1HA GLY 47 HA2 GLY 47 6.633 -0.753 -12.960 320 2HA GLY 47 HA1 GLY 47 5.255 -1.367 -13.856 321 H GLN 48 HN GLN 48 6.320 1.343 -11.833 322 HA GLN 48 HA GLN 48 4.682 3.110 -13.516 323 1HB GLN 48 HB2 GLN 48 4.544 2.750 -10.598 324 2HB GLN 48 HB1 GLN 48 4.669 4.426 -11.116 325 1HG GLN 48 HG2 GLN 48 2.634 2.524 -12.238 326 2HG GLN 48 HG1 GLN 48 2.339 3.517 -10.811 327 1HE2 GLN 48 1HE2 GLN 48 2.854 3.514 -14.254 328 2HE2 GLN 48 2HE2 GLN 48 2.303 5.127 -14.539 329 H GLY 49 HN GLY 49 7.015 3.375 -10.826 330 1HA GLY 49 HA2 GLY 49 8.419 5.455 -12.356 331 2HA GLY 49 HA1 GLY 49 8.575 5.173 -10.626 332 H ARG 50 HN ARG 50 9.235 2.676 -10.290 333 HA ARG 50 HA ARG 50 10.961 1.440 -12.095 334 1HB ARG 50 HB2 ARG 50 13.155 1.992 -11.230 335 2HB ARG 50 HB1 ARG 50 12.353 3.459 -11.767 336 1HG ARG 50 HG2 ARG 50 12.684 4.376 -9.785 337 2HG ARG 50 HG1 ARG 50 11.738 3.094 -9.027 338 1HD ARG 50 HD2 ARG 50 14.144 3.449 -8.219 339 2HD ARG 50 HD1 ARG 50 13.630 1.804 -8.574 340 HE ARG 50 HE ARG 50 15.289 3.455 -10.364 341 1HH1 ARG 50 1HH1 ARG 50 14.333 0.328 -9.114 342 2HH1 ARG 50 2HH1 ARG 50 15.518 -0.532 -10.035 343 1HH2 ARG 50 1HH2 ARG 50 16.837 2.315 -11.570 344 2HH2 ARG 50 2HH2 ARG 50 16.937 0.592 -11.427 345 H MET 51 HN MET 51 9.326 0.053 -10.906 346 HA MET 51 HA MET 51 9.432 -0.669 -8.270 347 1HB MET 51 HB2 MET 51 8.000 -1.552 -10.310 348 2HB MET 51 HB1 MET 51 9.186 -2.851 -10.289 349 1HG MET 51 HG2 MET 51 7.666 -3.767 -8.897 350 2HG MET 51 HG1 MET 51 8.574 -2.839 -7.705 351 1HE MET 51 HE1 MET 51 7.903 -0.560 -6.803 352 2HE MET 51 HE2 MET 51 6.339 0.225 -7.025 353 3HE MET 51 HE3 MET 51 7.518 0.221 -8.337 354 H ILE 52 HN ILE 52 11.120 -1.152 -7.064 355 HA ILE 52 HA ILE 52 13.573 -2.138 -8.097 356 HB ILE 52 HB ILE 52 13.954 -2.655 -5.532 357 1HG1 ILE 52 2HG1 ILE 52 11.734 -0.604 -5.407 358 2HG1 ILE 52 1HG1 ILE 52 11.538 -2.298 -4.966 359 1HG2 ILE 52 1HG2 ILE 52 15.222 -1.012 -6.658 360 2HG2 ILE 52 2HG2 ILE 52 14.543 -0.224 -5.233 361 3HG2 ILE 52 3HG2 ILE 52 13.829 0.056 -6.821 362 1HD1 ILE 52 1HD1 ILE 52 13.158 -2.038 -3.184 363 2HD1 ILE 52 2HD1 ILE 52 11.860 -0.853 -3.022 364 3HD1 ILE 52 3HD1 ILE 52 13.430 -0.359 -3.655 365 HA PRO 53 HA PRO 53 13.137 -6.507 -8.137 366 1HB PRO 53 HB2 PRO 53 15.337 -7.328 -6.676 367 2HB PRO 53 HB1 PRO 53 15.373 -6.881 -8.384 368 1HG PRO 53 HG2 PRO 53 16.096 -5.255 -5.982 369 2HG PRO 53 HG1 PRO 53 16.892 -5.336 -7.564 370 1HD PRO 53 HD2 PRO 53 15.301 -3.282 -6.905 371 2HD PRO 53 HD1 PRO 53 15.336 -3.932 -8.560 372 H GLY 54 HN GLY 54 13.492 -4.839 -5.118 373 1HA GLY 54 HA2 GLY 54 12.980 -6.987 -3.358 374 2HA GLY 54 HA1 GLY 54 12.749 -5.282 -3.004 375 H PHE 55 HN PHE 55 10.764 -4.364 -4.334 376 HA PHE 55 HA PHE 55 8.508 -5.712 -3.291 377 1HB PHE 55 HB2 PHE 55 8.816 -3.325 -5.101 378 2HB PHE 55 HB1 PHE 55 7.237 -3.972 -4.692 379 HD1 PHE 55 HD1 PHE 55 6.697 -4.156 -2.133 380 HD2 PHE 55 HD2 PHE 55 9.791 -1.730 -3.771 381 HE1 PHE 55 HE1 PHE 55 6.689 -2.792 -0.106 382 HE2 PHE 55 HE2 PHE 55 9.780 -0.350 -1.735 383 HZ PHE 55 HZ PHE 55 8.225 -0.879 0.096 384 H GLU 56 HN GLU 56 9.815 -5.263 -6.537 385 HA GLU 56 HA GLU 56 7.798 -6.450 -8.017 386 1HB GLU 56 HB2 GLU 56 10.114 -5.312 -8.677 387 2HB GLU 56 HB1 GLU 56 10.615 -6.993 -8.809 388 1HG GLU 56 HG2 GLU 56 8.402 -7.180 -10.226 389 2HG GLU 56 HG1 GLU 56 8.672 -5.452 -10.442 390 H ASP 57 HN ASP 57 10.012 -7.909 -5.820 391 HA ASP 57 HA ASP 57 9.814 -10.551 -6.944 392 1HB ASP 57 HB2 ASP 57 11.634 -9.395 -5.299 393 2HB ASP 57 HB1 ASP 57 10.664 -10.273 -4.126 394 H GLY 58 HN GLY 58 9.026 -9.548 -3.604 395 1HA GLY 58 HA2 GLY 58 7.158 -11.637 -3.264 396 2HA GLY 58 HA1 GLY 58 7.344 -10.246 -2.209 397 H ILE 59 HN ILE 59 6.601 -8.152 -3.572 398 HA ILE 59 HA ILE 59 3.784 -8.452 -3.898 399 HB ILE 59 HB ILE 59 5.442 -5.986 -4.468 400 1HG1 ILE 59 2HG1 ILE 59 4.856 -5.481 -2.002 401 2HG1 ILE 59 1HG1 ILE 59 4.684 -7.210 -1.827 402 1HG2 ILE 59 1HG2 ILE 59 2.603 -6.613 -4.121 403 2HG2 ILE 59 2HG2 ILE 59 3.379 -5.264 -4.950 404 3HG2 ILE 59 3HG2 ILE 59 3.155 -5.211 -3.202 405 1HD1 ILE 59 1HD1 ILE 59 6.887 -7.479 -1.729 406 2HD1 ILE 59 2HD1 ILE 59 6.974 -5.734 -1.516 407 3HD1 ILE 59 3HD1 ILE 59 7.149 -6.436 -3.119 408 H LYS 60 HN LYS 60 5.150 -9.906 -5.649 409 HA LYS 60 HA LYS 60 5.521 -8.916 -8.265 410 1HB LYS 60 HB2 LYS 60 4.821 -11.552 -7.098 411 2HB LYS 60 HB1 LYS 60 4.320 -11.321 -8.767 412 1HG LYS 60 HG2 LYS 60 7.023 -10.440 -8.416 413 2HG LYS 60 HG1 LYS 60 6.837 -12.088 -7.821 414 1HD LYS 60 HD2 LYS 60 6.678 -12.898 -9.893 415 2HD LYS 60 HD1 LYS 60 5.458 -11.701 -10.336 416 1HE LYS 60 HE2 LYS 60 8.303 -10.845 -10.120 417 2HE LYS 60 HE1 LYS 60 7.800 -11.770 -11.534 418 1HZ LYS 60 HZ1 LYS 60 6.745 -9.154 -10.623 419 2HZ LYS 60 HZ2 LYS 60 5.997 -10.084 -11.821 420 3HZ LYS 60 HZ3 LYS 60 7.563 -9.493 -12.064 421 H GLY 61 HN GLY 61 2.719 -10.318 -6.736 422 1HA GLY 61 HA2 GLY 61 0.547 -9.182 -6.720 423 2HA GLY 61 HA1 GLY 61 0.908 -8.655 -8.363 424 H HIS 62 HN HIS 62 1.409 -11.721 -6.781 425 HA HIS 62 HA HIS 62 -0.407 -12.987 -8.744 426 1HB HIS 62 HB2 HIS 62 1.093 -14.950 -8.765 427 2HB HIS 62 HB1 HIS 62 1.871 -13.495 -9.373 428 HD2 HIS 62 HD2 HIS 62 2.350 -12.778 -5.877 429 HE1 HIS 62 HE1 HIS 62 5.330 -15.698 -6.614 430 HE2 HIS 62 HE2 HIS 62 4.560 -13.849 -5.089 431 H LYS 63 HN LYS 63 0.427 -12.659 -5.448 432 HA LYS 63 HA LYS 63 -1.352 -14.908 -4.785 433 1HB LYS 63 HB2 LYS 63 0.880 -13.769 -3.096 434 2HB LYS 63 HB1 LYS 63 -0.130 -15.150 -2.692 435 1HG LYS 63 HG2 LYS 63 0.994 -15.686 -5.215 436 2HG LYS 63 HG1 LYS 63 2.293 -15.061 -4.200 437 1HD LYS 63 HD2 LYS 63 2.151 -17.484 -4.022 438 2HD LYS 63 HD1 LYS 63 1.743 -16.725 -2.484 439 1HE LYS 63 HE2 LYS 63 0.178 -18.486 -2.873 440 2HE LYS 63 HE1 LYS 63 -0.665 -16.955 -3.095 441 1HZ LYS 63 HZ1 LYS 63 -1.348 -18.143 -4.917 442 2HZ LYS 63 HZ2 LYS 63 0.128 -18.945 -5.106 443 3HZ LYS 63 HZ3 LYS 63 -0.017 -17.324 -5.566 444 H ALA 64 HN ALA 64 -3.163 -13.477 -4.968 445 HA ALA 64 HA ALA 64 -3.478 -11.091 -3.532 446 1HB ALA 64 HB1 ALA 64 -4.939 -12.260 -5.403 447 2HB ALA 64 HB2 ALA 64 -5.635 -11.095 -4.278 448 3HB ALA 64 HB3 ALA 64 -5.845 -12.823 -3.999 449 H GLY 65 HN GLY 65 -2.916 -11.158 -1.383 450 1HA GLY 65 HA2 GLY 65 -3.801 -11.322 0.834 451 2HA GLY 65 HA1 GLY 65 -4.686 -12.757 0.338 452 H GLU 66 HN GLU 66 -1.291 -12.102 -0.285 453 HA GLU 66 HA GLU 66 -0.601 -14.562 1.148 454 1HB GLU 66 HB2 GLU 66 0.098 -13.800 -1.307 455 2HB GLU 66 HB1 GLU 66 1.420 -13.056 -0.422 456 1HG GLU 66 HG2 GLU 66 1.337 -15.571 0.649 457 2HG GLU 66 HG1 GLU 66 0.915 -15.857 -1.036 458 H GLU 67 HN GLU 67 1.600 -14.554 2.177 459 HA GLU 67 HA GLU 67 2.217 -12.036 3.540 460 1HB GLU 67 HB2 GLU 67 2.490 -13.264 5.679 461 2HB GLU 67 HB1 GLU 67 0.830 -13.273 5.101 462 1HG GLU 67 HG2 GLU 67 1.369 -15.551 4.097 463 2HG GLU 67 HG1 GLU 67 2.817 -15.516 5.103 464 H PHE 68 HN PHE 68 4.170 -11.650 2.663 465 HA PHE 68 HA PHE 68 6.242 -13.720 3.000 466 1HB PHE 68 HB2 PHE 68 7.174 -12.993 0.775 467 2HB PHE 68 HB1 PHE 68 5.638 -13.857 0.688 468 HD1 PHE 68 HD1 PHE 68 3.680 -12.809 -0.106 469 HD2 PHE 68 HD2 PHE 68 7.227 -10.554 0.505 470 HE1 PHE 68 HE1 PHE 68 2.667 -10.915 -1.281 471 HE2 PHE 68 HE2 PHE 68 6.214 -8.648 -0.680 472 HZ PHE 68 HZ PHE 68 3.928 -8.830 -1.579 473 H THR 69 HN THR 69 8.469 -12.793 2.706 474 HA THR 69 HA THR 69 8.592 -10.012 3.650 475 HB THR 69 HB THR 69 10.316 -12.320 4.571 476 HG1 THR 69 HG1 THR 69 9.031 -12.463 6.224 477 1HG2 THR 69 1HG2 THR 69 10.659 -9.455 4.823 478 2HG2 THR 69 2HG2 THR 69 11.783 -10.768 5.164 479 3HG2 THR 69 3HG2 THR 69 10.606 -10.277 6.382 480 H ILE 70 HN ILE 70 9.807 -8.708 2.375 481 HA ILE 70 HA ILE 70 11.986 -9.977 0.849 482 HB ILE 70 HB ILE 70 11.469 -8.754 -1.149 483 1HG1 ILE 70 2HG1 ILE 70 10.538 -6.730 -0.030 484 2HG1 ILE 70 1HG1 ILE 70 9.560 -7.286 -1.384 485 1HG2 ILE 70 1HG2 ILE 70 9.861 -10.791 -0.115 486 2HG2 ILE 70 2HG2 ILE 70 10.065 -10.340 -1.808 487 3HG2 ILE 70 3HG2 ILE 70 8.749 -9.644 -0.864 488 1HD1 ILE 70 1HD1 ILE 70 7.849 -7.087 0.017 489 2HD1 ILE 70 2HD1 ILE 70 8.899 -7.046 1.437 490 3HD1 ILE 70 3HD1 ILE 70 8.430 -8.594 0.730 491 H ASP 71 HN ASP 71 13.479 -8.307 -0.083 492 HA ASP 71 HA ASP 71 13.997 -6.296 1.972 493 1HB ASP 71 HB2 ASP 71 16.208 -6.083 0.781 494 2HB ASP 71 HB1 ASP 71 15.901 -7.679 1.462 495 H VAL 72 HN VAL 72 14.348 -4.083 1.384 496 HA VAL 72 HA VAL 72 13.683 -3.346 -1.357 497 HB VAL 72 HB VAL 72 12.141 -1.513 -0.407 498 1HG1 VAL 72 1HG1 VAL 72 11.391 -3.311 -1.860 499 2HG1 VAL 72 2HG1 VAL 72 10.188 -2.973 -0.613 500 3HG1 VAL 72 3HG1 VAL 72 11.232 -4.386 -0.471 501 1HG2 VAL 72 1HG2 VAL 72 11.447 -1.583 1.714 502 2HG2 VAL 72 2HG2 VAL 72 12.831 -2.638 1.994 503 3HG2 VAL 72 3HG2 VAL 72 11.239 -3.334 1.686 504 H THR 73 HN THR 73 14.829 -1.622 -2.055 505 HA THR 73 HA THR 73 15.835 0.330 -0.185 506 HB THR 73 HB THR 73 17.610 -1.540 -1.754 507 HG1 THR 73 HG1 THR 73 18.280 -2.101 0.156 508 1HG2 THR 73 1HG2 THR 73 18.104 1.293 -1.115 509 2HG2 THR 73 2HG2 THR 73 18.791 0.268 -2.378 510 3HG2 THR 73 3HG2 THR 73 19.401 0.158 -0.729 511 H PHE 74 HN PHE 74 15.471 2.245 -1.139 512 HA PHE 74 HA PHE 74 14.877 2.289 -3.957 513 1HB PHE 74 HB2 PHE 74 14.660 4.341 -1.776 514 2HB PHE 74 HB1 PHE 74 14.290 4.696 -3.461 515 HD1 PHE 74 HD1 PHE 74 13.514 1.966 -1.018 516 HD2 PHE 74 HD2 PHE 74 12.077 4.652 -3.979 517 HE1 PHE 74 HE1 PHE 74 11.243 1.061 -0.731 518 HE2 PHE 74 HE2 PHE 74 9.801 3.763 -3.700 519 HZ PHE 74 HZ PHE 74 9.381 1.967 -2.071 520 HA PRO 75 HA PRO 75 18.959 3.558 -5.172 521 1HB PRO 75 HB2 PRO 75 18.341 4.380 -7.690 522 2HB PRO 75 HB1 PRO 75 18.498 2.679 -7.235 523 1HG PRO 75 HG2 PRO 75 16.025 4.341 -7.536 524 2HG PRO 75 HG1 PRO 75 16.330 2.681 -8.079 525 1HD PRO 75 HD2 PRO 75 14.931 3.223 -5.845 526 2HD PRO 75 HD1 PRO 75 15.979 1.795 -5.978 527 H GLU 76 HN GLU 76 19.882 5.504 -6.501 528 HA GLU 76 HA GLU 76 19.185 7.875 -5.050 529 1HB GLU 76 HB2 GLU 76 21.260 7.212 -7.115 530 2HB GLU 76 HB1 GLU 76 20.994 8.873 -6.603 531 1HG GLU 76 HG2 GLU 76 22.807 7.960 -5.347 532 2HG GLU 76 HG1 GLU 76 21.428 8.178 -4.269 533 H GLU 77 HN GLU 77 18.007 6.490 -7.870 534 HA GLU 77 HA GLU 77 17.411 9.014 -9.182 535 1HB GLU 77 HB2 GLU 77 16.301 7.539 -10.892 536 2HB GLU 77 HB1 GLU 77 18.024 7.271 -10.677 537 1HG GLU 77 HG2 GLU 77 17.400 5.366 -9.136 538 2HG GLU 77 HG1 GLU 77 15.749 5.561 -9.721 539 H TYR 78 HN TYR 78 15.801 6.551 -7.285 540 HA TYR 78 HA TYR 78 13.137 7.384 -7.797 541 1HB TYR 78 HB2 TYR 78 14.055 5.203 -6.665 542 2HB TYR 78 HB1 TYR 78 13.956 6.148 -5.187 543 HD1 TYR 78 HD1 TYR 78 12.220 4.031 -7.386 544 HD2 TYR 78 HD2 TYR 78 11.632 7.284 -4.706 545 HE1 TYR 78 HE1 TYR 78 9.842 3.451 -7.218 546 HE2 TYR 78 HE2 TYR 78 9.247 6.715 -4.535 547 HH TYR 78 HH TYR 78 7.543 5.528 -5.709 548 H HIS 79 HN HIS 79 14.952 7.697 -4.774 549 HA HIS 79 HA HIS 79 14.638 9.134 -3.025 550 1HB HIS 79 HB2 HIS 79 15.497 10.735 -5.396 551 2HB HIS 79 HB1 HIS 79 15.282 11.511 -3.828 552 HD2 HIS 79 HD2 HIS 79 16.684 8.006 -3.391 553 HE1 HIS 79 HE1 HIS 79 20.005 10.652 -3.358 554 HE2 HIS 79 HE2 HIS 79 19.219 8.293 -2.951 555 H ALA 80 HN ALA 80 12.248 8.671 -2.949 556 HA ALA 80 HA ALA 80 10.492 10.729 -3.953 557 1HB ALA 80 HB1 ALA 80 8.822 9.298 -3.513 558 2HB ALA 80 HB2 ALA 80 9.418 8.952 -1.890 559 3HB ALA 80 HB3 ALA 80 10.105 8.110 -3.279 560 H GLU 81 HN GLU 81 9.383 12.253 -2.713 561 HA GLU 81 HA GLU 81 10.787 13.572 -0.740 562 1HB GLU 81 HB2 GLU 81 8.755 14.849 -0.331 563 2HB GLU 81 HB1 GLU 81 8.988 14.587 -2.055 564 1HG GLU 81 HG2 GLU 81 7.280 12.963 -2.141 565 2HG GLU 81 HG1 GLU 81 7.208 12.842 -0.384 566 H ASN 82 HN ASN 82 8.659 10.836 -0.362 567 HA ASN 82 HA ASN 82 8.473 11.292 2.509 568 1HB ASN 82 HB2 ASN 82 6.948 9.315 2.479 569 2HB ASN 82 HB1 ASN 82 6.417 10.666 1.484 570 1HD2 ASN 82 1HD2 ASN 82 8.170 7.609 1.331 571 2HD2 ASN 82 2HD2 ASN 82 7.643 7.183 -0.257 572 H LEU 83 HN LEU 83 9.936 8.912 0.306 573 HA LEU 83 HA LEU 83 11.422 7.906 2.632 574 1HB LEU 83 HB2 LEU 83 11.028 5.671 2.180 575 2HB LEU 83 HB1 LEU 83 9.468 6.431 1.983 576 HG LEU 83 HG LEU 83 9.414 5.084 0.161 577 1HD1 LEU 83 1HD1 LEU 83 9.694 7.572 -0.620 578 2HD1 LEU 83 2HD1 LEU 83 9.643 6.254 -1.782 579 3HD1 LEU 83 3HD1 LEU 83 11.189 6.960 -1.315 580 1HD2 LEU 83 1HD2 LEU 83 12.373 5.327 -0.249 581 2HD2 LEU 83 2HD2 LEU 83 11.267 4.170 -0.959 582 3HD2 LEU 83 3HD2 LEU 83 11.609 4.099 0.760 583 H LYS 84 HN LYS 84 12.005 9.596 0.168 584 HA LYS 84 HA LYS 84 13.533 8.633 -1.760 585 1HB LYS 84 HB2 LYS 84 15.180 10.546 -1.332 586 2HB LYS 84 HB1 LYS 84 13.492 10.963 -1.577 587 1HG LYS 84 HG2 LYS 84 13.719 10.599 1.165 588 2HG LYS 84 HG1 LYS 84 15.204 11.432 0.701 589 1HD LYS 84 HD2 LYS 84 13.047 12.654 -0.687 590 2HD LYS 84 HD1 LYS 84 12.580 12.498 1.006 591 1HE LYS 84 HE2 LYS 84 14.144 13.970 1.710 592 2HE LYS 84 HE1 LYS 84 15.326 13.448 0.511 593 1HZ LYS 84 HZ1 LYS 84 14.719 15.066 -0.871 594 2HZ LYS 84 HZ2 LYS 84 13.907 15.762 0.439 595 3HZ LYS 84 HZ3 LYS 84 13.065 14.780 -0.650 596 H GLY 85 HN GLY 85 15.198 7.346 -2.103 597 1HA GLY 85 HA2 GLY 85 16.886 5.843 -1.662 598 2HA GLY 85 HA1 GLY 85 17.618 7.218 -0.853 599 H LYS 86 HN LYS 86 14.898 5.034 -0.093 600 HA LYS 86 HA LYS 86 15.955 4.816 2.624 601 1HB LYS 86 HB2 LYS 86 13.525 5.454 2.049 602 2HB LYS 86 HB1 LYS 86 13.309 3.743 1.721 603 1HG LYS 86 HG2 LYS 86 14.508 4.558 4.309 604 2HG LYS 86 HG1 LYS 86 12.770 4.762 4.069 605 1HD LYS 86 HD2 LYS 86 14.293 2.198 3.657 606 2HD LYS 86 HD1 LYS 86 13.339 2.592 5.089 607 1HE LYS 86 HE2 LYS 86 11.693 1.529 3.995 608 2HE LYS 86 HE1 LYS 86 11.534 3.053 3.125 609 1HZ LYS 86 HZ1 LYS 86 12.240 2.121 1.246 610 2HZ LYS 86 HZ2 LYS 86 11.986 0.626 1.997 611 3HZ LYS 86 HZ3 LYS 86 13.528 1.323 2.001 612 H ALA 87 HN ALA 87 17.588 3.293 2.399 613 HA ALA 87 HA ALA 87 17.099 0.725 1.162 614 1HB ALA 87 HB1 ALA 87 19.322 0.979 0.958 615 2HB ALA 87 HB2 ALA 87 19.406 0.450 2.637 616 3HB ALA 87 HB3 ALA 87 19.391 2.171 2.254 617 H ALA 88 HN ALA 88 15.523 -0.421 2.274 618 HA ALA 88 HA ALA 88 16.169 -1.056 5.074 619 1HB ALA 88 HB1 ALA 88 13.337 -0.549 4.275 620 2HB ALA 88 HB2 ALA 88 14.404 0.770 4.748 621 3HB ALA 88 HB3 ALA 88 14.063 -0.527 5.880 622 H LYS 89 HN LYS 89 14.243 -2.550 5.844 623 HA LYS 89 HA LYS 89 14.009 -4.822 3.980 624 1HB LYS 89 HB2 LYS 89 14.727 -4.801 6.913 625 2HB LYS 89 HB1 LYS 89 14.023 -6.224 6.153 626 1HG LYS 89 HG2 LYS 89 15.882 -6.492 4.716 627 2HG LYS 89 HG1 LYS 89 16.522 -4.901 5.138 628 1HD LYS 89 HD2 LYS 89 16.123 -6.942 7.281 629 2HD LYS 89 HD1 LYS 89 17.527 -7.060 6.219 630 1HE LYS 89 HE2 LYS 89 17.442 -4.384 6.950 631 2HE LYS 89 HE1 LYS 89 17.014 -5.249 8.424 632 1HZ LYS 89 HZ1 LYS 89 19.111 -5.863 8.692 633 2HZ LYS 89 HZ2 LYS 89 19.542 -4.869 7.393 634 3HZ LYS 89 HZ3 LYS 89 19.202 -6.505 7.130 635 H PHE 90 HN PHE 90 11.956 -5.787 3.947 636 HA PHE 90 HA PHE 90 9.970 -4.763 5.855 637 1HB PHE 90 HB2 PHE 90 9.530 -4.913 2.869 638 2HB PHE 90 HB1 PHE 90 8.285 -4.578 4.062 639 HD1 PHE 90 HD1 PHE 90 8.421 -2.875 1.918 640 HD2 PHE 90 HD2 PHE 90 10.818 -2.810 5.408 641 HE1 PHE 90 HE1 PHE 90 8.768 -0.439 1.637 642 HE2 PHE 90 HE2 PHE 90 11.188 -0.394 5.140 643 HZ PHE 90 HZ PHE 90 10.153 0.796 3.246 644 H ALA 91 HN ALA 91 8.128 -6.133 6.152 645 HA ALA 91 HA ALA 91 8.309 -8.779 4.908 646 1HB ALA 91 HB1 ALA 91 7.109 -8.419 7.626 647 2HB ALA 91 HB2 ALA 91 8.865 -8.510 7.489 648 3HB ALA 91 HB3 ALA 91 7.867 -9.846 6.919 649 H ILE 92 HN ILE 92 6.787 -8.561 3.431 650 HA ILE 92 HA ILE 92 4.394 -7.010 4.022 651 HB ILE 92 HB ILE 92 5.312 -8.076 1.368 652 1HG1 ILE 92 2HG1 ILE 92 6.084 -5.556 2.822 653 2HG1 ILE 92 1HG1 ILE 92 7.115 -6.741 2.062 654 1HG2 ILE 92 1HG2 ILE 92 3.063 -7.462 1.229 655 2HG2 ILE 92 2HG2 ILE 92 3.965 -6.114 0.543 656 3HG2 ILE 92 3HG2 ILE 92 3.314 -5.997 2.178 657 1HD1 ILE 92 1HD1 ILE 92 5.835 -4.384 0.956 658 2HD1 ILE 92 2HD1 ILE 92 5.622 -5.826 -0.034 659 3HD1 ILE 92 3HD1 ILE 92 7.245 -5.281 0.393 660 H ASN 93 HN ASN 93 2.378 -7.577 3.071 661 HA ASN 93 HA ASN 93 1.851 -10.428 2.732 662 1HB ASN 93 HB2 ASN 93 0.210 -8.573 4.472 663 2HB ASN 93 HB1 ASN 93 -0.186 -10.249 4.108 664 1HD2 ASN 93 1HD2 ASN 93 0.141 -9.152 6.688 665 2HD2 ASN 93 2HD2 ASN 93 1.486 -9.941 7.430 666 H LEU 94 HN LEU 94 1.308 -10.401 0.607 667 HA LEU 94 HA LEU 94 0.150 -8.226 -0.735 668 1HB LEU 94 HB2 LEU 94 1.412 -10.198 -1.717 669 2HB LEU 94 HB1 LEU 94 -0.090 -11.088 -1.615 670 HG LEU 94 HG LEU 94 -1.122 -9.281 -3.059 671 1HD1 LEU 94 1HD1 LEU 94 1.503 -8.162 -2.692 672 2HD1 LEU 94 2HD1 LEU 94 0.067 -7.443 -3.423 673 3HD1 LEU 94 3HD1 LEU 94 1.168 -8.408 -4.406 674 1HD2 LEU 94 1HD2 LEU 94 0.413 -11.540 -3.725 675 2HD2 LEU 94 2HD2 LEU 94 0.858 -10.281 -4.877 676 3HD2 LEU 94 3HD2 LEU 94 -0.832 -10.752 -4.696 677 H LYS 95 HN LYS 95 -1.944 -8.074 -1.766 678 HA LYS 95 HA LYS 95 -4.075 -9.706 -0.700 679 1HB LYS 95 HB2 LYS 95 -3.994 -6.734 -0.155 680 2HB LYS 95 HB1 LYS 95 -5.384 -7.770 0.121 681 1HG LYS 95 HG2 LYS 95 -4.195 -9.006 1.804 682 2HG LYS 95 HG1 LYS 95 -2.711 -8.115 1.460 683 1HD LYS 95 HD2 LYS 95 -3.519 -7.020 3.332 684 2HD LYS 95 HD1 LYS 95 -4.141 -6.022 2.018 685 1HE LYS 95 HE2 LYS 95 -5.904 -8.229 2.781 686 2HE LYS 95 HE1 LYS 95 -5.627 -7.058 4.070 687 1HZ LYS 95 HZ1 LYS 95 -6.791 -6.594 1.390 688 2HZ LYS 95 HZ2 LYS 95 -6.187 -5.321 2.328 689 3HZ LYS 95 HZ3 LYS 95 -7.469 -6.261 2.905 690 H LYS 96 HN LYS 96 -5.163 -6.653 -1.692 691 HA LYS 96 HA LYS 96 -6.383 -7.764 -3.995 692 1HB LYS 96 HB2 LYS 96 -6.550 -5.298 -2.481 693 2HB LYS 96 HB1 LYS 96 -6.658 -5.002 -4.211 694 1HG LYS 96 HG2 LYS 96 -8.678 -5.966 -4.385 695 2HG LYS 96 HG1 LYS 96 -8.294 -7.232 -3.217 696 1HD LYS 96 HD2 LYS 96 -8.876 -4.367 -2.482 697 2HD LYS 96 HD1 LYS 96 -10.078 -5.659 -2.468 698 1HE LYS 96 HE2 LYS 96 -9.454 -6.134 -0.390 699 2HE LYS 96 HE1 LYS 96 -7.894 -6.647 -1.026 700 1HZ LYS 96 HZ1 LYS 96 -8.531 -3.849 -0.272 701 2HZ LYS 96 HZ2 LYS 96 -7.015 -4.473 -0.691 702 3HZ LYS 96 HZ3 LYS 96 -7.755 -4.951 0.753 703 H VAL 97 HN VAL 97 -5.128 -8.322 -5.680 704 HA VAL 97 HA VAL 97 -3.308 -6.302 -6.777 705 HB VAL 97 HB VAL 97 -2.040 -8.241 -6.279 706 1HG1 VAL 97 1HG1 VAL 97 -4.490 -9.642 -6.857 707 2HG1 VAL 97 2HG1 VAL 97 -3.077 -10.185 -5.952 708 3HG1 VAL 97 3HG1 VAL 97 -3.135 -10.382 -7.704 709 1HG2 VAL 97 1HG2 VAL 97 -2.401 -7.402 -8.938 710 2HG2 VAL 97 2HG2 VAL 97 -2.275 -9.160 -8.989 711 3HG2 VAL 97 3HG2 VAL 97 -0.996 -8.205 -8.241 712 H GLU 98 HN GLU 98 -4.446 -5.180 -8.270 713 HA GLU 98 HA GLU 98 -5.931 -6.726 -10.291 714 1HB GLU 98 HB2 GLU 98 -6.727 -4.041 -9.171 715 2HB GLU 98 HB1 GLU 98 -7.612 -4.970 -10.371 716 1HG GLU 98 HG2 GLU 98 -8.643 -6.159 -8.807 717 2HG GLU 98 HG1 GLU 98 -7.125 -6.526 -7.990 718 H GLU 99 HN GLU 99 -6.366 -5.350 -12.314 719 HA GLU 99 HA GLU 99 -3.823 -4.208 -13.149 720 1HB GLU 99 HB2 GLU 99 -5.122 -5.977 -14.454 721 2HB GLU 99 HB1 GLU 99 -6.226 -4.683 -14.892 722 1HG GLU 99 HG2 GLU 99 -3.275 -4.591 -15.445 723 2HG GLU 99 HG1 GLU 99 -4.458 -5.231 -16.579 724 H ARG 100 HN ARG 100 -3.942 -2.198 -12.073 725 HA ARG 100 HA ARG 100 -6.030 -0.330 -12.411 726 1HB ARG 100 HB2 ARG 100 -4.490 1.306 -11.522 727 2HB ARG 100 HB1 ARG 100 -4.297 -0.202 -10.636 728 1HG ARG 100 HG2 ARG 100 -2.147 -0.301 -11.162 729 2HG ARG 100 HG1 ARG 100 -2.509 -0.149 -12.876 730 1HD ARG 100 HD2 ARG 100 -2.866 2.385 -12.198 731 2HD ARG 100 HD1 ARG 100 -1.770 1.935 -10.898 732 HE ARG 100 HE ARG 100 -0.064 1.666 -12.434 733 1HH1 ARG 100 1HH1 ARG 100 -3.087 2.292 -14.070 734 2HH1 ARG 100 2HH1 ARG 100 -2.338 2.575 -15.604 735 1HH2 ARG 100 1HH2 ARG 100 0.916 2.029 -14.450 736 2HH2 ARG 100 2HH2 ARG 100 -0.065 2.422 -15.822 737 H GLU 101 HN GLU 101 -6.365 1.288 -13.874 738 HA GLU 101 HA GLU 101 -4.386 1.855 -15.907 739 1HB GLU 101 HB2 GLU 101 -6.111 -0.142 -16.514 740 2HB GLU 101 HB1 GLU 101 -7.031 1.248 -17.079 741 1HG GLU 101 HG2 GLU 101 -4.492 1.715 -18.045 742 2HG GLU 101 HG1 GLU 101 -4.693 -0.027 -18.223 743 H LEU 102 HN LEU 102 -4.700 3.767 -14.430 744 HA LEU 102 HA LEU 102 -7.092 5.310 -14.700 745 1HB LEU 102 HB2 LEU 102 -4.377 5.850 -13.537 746 2HB LEU 102 HB1 LEU 102 -5.574 7.123 -13.673 747 HG LEU 102 HG LEU 102 -7.053 6.018 -12.164 748 1HD1 LEU 102 1HD1 LEU 102 -6.329 3.808 -11.138 749 2HD1 LEU 102 2HD1 LEU 102 -5.204 3.673 -12.489 750 3HD1 LEU 102 3HD1 LEU 102 -6.939 3.755 -12.791 751 1HD2 LEU 102 1HD2 LEU 102 -5.183 7.245 -11.152 752 2HD2 LEU 102 2HD2 LEU 102 -4.238 5.757 -11.115 753 3HD2 LEU 102 3HD2 LEU 102 -5.705 5.893 -10.147 754 HA PRO 103 HA PRO 103 -4.383 8.143 -17.549 755 1HB PRO 103 HB2 PRO 103 -2.084 7.043 -18.535 756 2HB PRO 103 HB1 PRO 103 -2.146 8.039 -17.077 757 1HG PRO 103 HG2 PRO 103 -2.082 5.058 -17.334 758 2HG PRO 103 HG1 PRO 103 -1.203 6.105 -16.201 759 1HD PRO 103 HD2 PRO 103 -3.412 4.751 -15.472 760 2HD PRO 103 HD1 PRO 103 -3.038 6.359 -14.818 761 H GLU 104 HN GLU 104 -5.058 8.272 -19.611 762 HA GLU 104 HA GLU 104 -5.774 5.789 -20.969 763 1HB GLU 104 HB2 GLU 104 -7.480 7.559 -20.735 764 2HB GLU 104 HB1 GLU 104 -6.461 8.651 -21.664 765 1HG GLU 104 HG2 GLU 104 -8.215 7.738 -23.051 766 2HG GLU 104 HG1 GLU 104 -6.638 7.169 -23.599 767 H LEU 105 HN LEU 105 -4.401 4.940 -22.372 768 HA LEU 105 HA LEU 105 -2.525 6.712 -23.779 769 1HB LEU 105 HB2 LEU 105 -2.393 3.751 -23.217 770 2HB LEU 105 HB1 LEU 105 -1.225 4.621 -24.194 771 HG LEU 105 HG LEU 105 -1.506 5.919 -21.641 772 1HD1 LEU 105 1HD1 LEU 105 -1.357 4.301 -20.112 773 2HD1 LEU 105 2HD1 LEU 105 -0.243 3.351 -21.093 774 3HD1 LEU 105 3HD1 LEU 105 -1.980 3.230 -21.366 775 1HD2 LEU 105 1HD2 LEU 105 0.774 4.476 -22.985 776 2HD2 LEU 105 2HD2 LEU 105 0.920 5.517 -21.568 777 3HD2 LEU 105 3HD2 LEU 105 0.396 6.194 -23.110 778 H THR 106 HN THR 106 -2.354 6.685 -25.986 779 HA THR 106 HA THR 106 -2.999 6.438 -28.153 780 HB THR 106 HB THR 106 -4.183 3.765 -27.445 781 HG1 THR 106 HG1 THR 106 -1.469 3.964 -28.065 782 1HG2 THR 106 1HG2 THR 106 -3.743 3.123 -29.591 783 2HG2 THR 106 2HG2 THR 106 -2.436 4.291 -29.793 784 3HG2 THR 106 3HG2 THR 106 -4.115 4.831 -29.830 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -18.584 16.798 4.259 2 2H GLY 1 HT2 GLY 1 -16.945 17.070 3.949 3 3H GLY 1 HT3 GLY 1 -17.412 16.207 5.326 4 1HA GLY 1 HA1 GLY 1 -17.406 14.296 4.238 5 2HA GLY 1 HA2 GLY 1 -18.512 14.966 3.049 6 H SER 2 HN SER 2 -15.516 13.634 3.479 7 HA SER 2 HA SER 2 -14.071 15.142 1.502 8 1HB SER 2 HB2 SER 2 -13.447 13.167 3.465 9 2HB SER 2 HB1 SER 2 -12.886 12.577 1.902 10 HG SER 2 HG SER 2 -12.352 15.232 2.646 11 H HIS 3 HN HIS 3 -13.743 14.669 -0.616 12 HA HIS 3 HA HIS 3 -15.258 12.391 -1.709 13 1HB HIS 3 HB2 HIS 3 -14.626 15.014 -3.076 14 2HB HIS 3 HB1 HIS 3 -15.590 13.699 -3.740 15 HD2 HIS 3 HD2 HIS 3 -18.248 14.002 -3.312 16 HE1 HIS 3 HE1 HIS 3 -18.016 16.781 -0.112 17 HE2 HIS 3 HE2 HIS 3 -19.548 15.471 -1.626 18 H MET 4 HN MET 4 -14.281 11.042 -3.149 19 HA MET 4 HA MET 4 -11.394 11.179 -3.289 20 1HB MET 4 HB2 MET 4 -13.394 9.120 -3.450 21 2HB MET 4 HB1 MET 4 -12.345 9.027 -4.858 22 1HG MET 4 HG2 MET 4 -11.175 9.260 -2.122 23 2HG MET 4 HG1 MET 4 -11.744 7.704 -2.721 24 1HE MET 4 HE1 MET 4 -9.373 10.319 -2.488 25 2HE MET 4 HE2 MET 4 -8.927 10.644 -4.164 26 3HE MET 4 HE3 MET 4 -7.888 9.638 -3.154 27 H GLN 5 HN GLN 5 -10.330 12.135 -4.882 28 HA GLN 5 HA GLN 5 -11.738 12.812 -7.346 29 1HB GLN 5 HB2 GLN 5 -10.097 14.307 -5.830 30 2HB GLN 5 HB1 GLN 5 -8.914 13.630 -6.942 31 1HG GLN 5 HG2 GLN 5 -10.296 14.459 -8.828 32 2HG GLN 5 HG1 GLN 5 -11.349 15.246 -7.655 33 1HE2 GLN 5 1HE2 GLN 5 -10.344 16.836 -6.227 34 2HE2 GLN 5 2HE2 GLN 5 -9.043 17.797 -6.836 35 H ALA 6 HN ALA 6 -9.238 10.708 -6.173 36 HA ALA 6 HA ALA 6 -7.894 10.160 -8.568 37 1HB ALA 6 HB1 ALA 6 -8.351 8.340 -6.206 38 2HB ALA 6 HB2 ALA 6 -7.025 9.488 -6.395 39 3HB ALA 6 HB3 ALA 6 -7.150 8.099 -7.476 40 H THR 7 HN THR 7 -8.100 8.512 -10.072 41 HA THR 7 HA THR 7 -10.696 7.125 -10.124 42 HB THR 7 HB THR 7 -10.747 8.990 -11.711 43 HG1 THR 7 HG1 THR 7 -10.495 6.500 -13.042 44 1HG2 THR 7 1HG2 THR 7 -8.362 7.662 -12.975 45 2HG2 THR 7 2HG2 THR 7 -8.428 9.273 -12.255 46 3HG2 THR 7 3HG2 THR 7 -9.335 8.926 -13.729 47 H TRP 8 HN TRP 8 -10.667 5.022 -10.688 48 HA TRP 8 HA TRP 8 -8.182 3.878 -11.731 49 1HB TRP 8 HB2 TRP 8 -9.669 2.941 -9.275 50 2HB TRP 8 HB1 TRP 8 -8.504 1.939 -10.131 51 HD1 TRP 8 HD1 TRP 8 -8.426 5.575 -8.747 52 HE1 TRP 8 HE1 TRP 8 -6.199 5.903 -7.522 53 HE3 TRP 8 HE3 TRP 8 -6.407 0.923 -9.468 54 HZ2 TRP 8 HZ2 TRP 8 -3.885 4.392 -6.923 55 HZ3 TRP 8 HZ3 TRP 8 -4.194 0.458 -8.534 56 HH2 TRP 8 HH2 TRP 8 -2.951 2.146 -7.287 57 H LYS 9 HN LYS 9 -8.456 1.720 -12.608 58 HA LYS 9 HA LYS 9 -11.174 0.888 -13.240 59 1HB LYS 9 HB2 LYS 9 -10.719 0.789 -15.648 60 2HB LYS 9 HB1 LYS 9 -10.591 2.440 -15.056 61 1HG LYS 9 HG2 LYS 9 -8.113 2.108 -14.931 62 2HG LYS 9 HG1 LYS 9 -8.346 0.566 -15.755 63 1HD LYS 9 HD2 LYS 9 -9.665 2.847 -17.045 64 2HD LYS 9 HD1 LYS 9 -7.904 2.951 -16.998 65 1HE LYS 9 HE2 LYS 9 -7.732 0.758 -18.040 66 2HE LYS 9 HE1 LYS 9 -9.487 0.605 -18.045 67 1HZ LYS 9 HZ1 LYS 9 -8.854 3.011 -19.301 68 2HZ LYS 9 HZ2 LYS 9 -9.508 1.616 -19.998 69 3HZ LYS 9 HZ3 LYS 9 -7.831 1.832 -19.955 70 H GLU 10 HN GLU 10 -9.169 -0.183 -11.580 71 HA GLU 10 HA GLU 10 -7.716 -2.197 -12.933 72 1HB GLU 10 HB2 GLU 10 -7.497 -3.102 -10.501 73 2HB GLU 10 HB1 GLU 10 -6.656 -1.648 -10.988 74 1HG GLU 10 HG2 GLU 10 -7.733 -1.509 -8.766 75 2HG GLU 10 HG1 GLU 10 -8.264 -0.268 -9.898 76 H LYS 11 HN LYS 11 -8.129 -4.224 -13.403 77 HA LYS 11 HA LYS 11 -10.799 -5.187 -13.349 78 1HB LYS 11 HB2 LYS 11 -8.300 -6.785 -13.919 79 2HB LYS 11 HB1 LYS 11 -9.934 -7.130 -14.468 80 1HG LYS 11 HG2 LYS 11 -9.905 -5.169 -15.887 81 2HG LYS 11 HG1 LYS 11 -8.299 -4.741 -15.295 82 1HD LYS 11 HD2 LYS 11 -7.939 -5.802 -17.366 83 2HD LYS 11 HD1 LYS 11 -7.545 -7.015 -16.146 84 1HE LYS 11 HE2 LYS 11 -9.134 -8.388 -16.887 85 2HE LYS 11 HE1 LYS 11 -10.345 -7.108 -16.855 86 1HZ LYS 11 HZ1 LYS 11 -10.038 -7.993 -19.083 87 2HZ LYS 11 HZ2 LYS 11 -8.396 -7.586 -19.047 88 3HZ LYS 11 HZ3 LYS 11 -9.569 -6.368 -19.019 89 H ASP 12 HN ASP 12 -10.024 -8.024 -12.791 90 HA ASP 12 HA ASP 12 -9.634 -7.907 -9.892 91 1HB ASP 12 HB2 ASP 12 -11.452 -9.573 -9.591 92 2HB ASP 12 HB1 ASP 12 -12.033 -8.029 -10.207 93 H GLY 13 HN GLY 13 -8.100 -8.829 -12.377 94 1HA GLY 13 HA2 GLY 13 -7.765 -11.663 -11.709 95 2HA GLY 13 HA1 GLY 13 -7.160 -10.869 -13.153 96 H ALA 14 HN ALA 14 -5.163 -12.018 -12.601 97 HA ALA 14 HA ALA 14 -3.699 -11.405 -10.252 98 1HB ALA 14 HB1 ALA 14 -3.464 -13.321 -12.094 99 2HB ALA 14 HB2 ALA 14 -2.134 -12.842 -11.036 100 3HB ALA 14 HB3 ALA 14 -2.222 -12.215 -12.683 101 H VAL 15 HN VAL 15 -1.189 -10.745 -10.992 102 HA VAL 15 HA VAL 15 -1.341 -7.904 -11.343 103 HB VAL 15 HB VAL 15 0.432 -8.930 -9.989 104 1HG1 VAL 15 1HG1 VAL 15 0.799 -10.549 -12.296 105 2HG1 VAL 15 2HG1 VAL 15 1.575 -10.684 -10.718 106 3HG1 VAL 15 3HG1 VAL 15 2.300 -9.680 -11.974 107 1HG2 VAL 15 1HG2 VAL 15 2.174 -7.710 -11.931 108 2HG2 VAL 15 2HG2 VAL 15 1.658 -7.119 -10.354 109 3HG2 VAL 15 3HG2 VAL 15 0.667 -6.808 -11.775 110 H GLU 16 HN GLU 16 -0.577 -6.655 -13.133 111 HA GLU 16 HA GLU 16 0.011 -8.147 -15.565 112 1HB GLU 16 HB2 GLU 16 -2.381 -6.557 -15.099 113 2HB GLU 16 HB1 GLU 16 -1.468 -5.987 -16.488 114 1HG GLU 16 HG2 GLU 16 -1.952 -8.900 -16.260 115 2HG GLU 16 HG1 GLU 16 -3.320 -7.867 -16.671 116 H ALA 17 HN ALA 17 0.849 -6.714 -17.259 117 HA ALA 17 HA ALA 17 3.191 -5.665 -16.997 118 1HB ALA 17 HB1 ALA 17 2.401 -3.588 -18.472 119 2HB ALA 17 HB2 ALA 17 0.949 -4.584 -18.596 120 3HB ALA 17 HB3 ALA 17 2.508 -5.229 -19.111 121 H GLU 18 HN GLU 18 0.719 -3.088 -16.715 122 HA GLU 18 HA GLU 18 2.348 -1.968 -14.522 123 1HB GLU 18 HB2 GLU 18 1.381 0.264 -15.277 124 2HB GLU 18 HB1 GLU 18 2.581 -0.479 -16.326 125 1HG GLU 18 HG2 GLU 18 0.929 -1.173 -17.874 126 2HG GLU 18 HG1 GLU 18 -0.377 -0.762 -16.763 127 H ASP 19 HN ASP 19 0.897 -3.437 -13.238 128 HA ASP 19 HA ASP 19 -1.791 -2.360 -12.791 129 1HB ASP 19 HB2 ASP 19 -0.384 -4.906 -12.030 130 2HB ASP 19 HB1 ASP 19 -1.919 -4.452 -11.306 131 H ARG 20 HN ARG 20 -2.400 -2.856 -10.274 132 HA ARG 20 HA ARG 20 -0.309 -1.820 -8.525 133 1HB ARG 20 HB2 ARG 20 -2.158 -0.067 -9.510 134 2HB ARG 20 HB1 ARG 20 -2.930 -0.593 -8.024 135 1HG ARG 20 HG2 ARG 20 -1.594 0.669 -6.807 136 2HG ARG 20 HG1 ARG 20 -0.165 -0.012 -7.559 137 1HD ARG 20 HD2 ARG 20 -0.199 1.594 -9.296 138 2HD ARG 20 HD1 ARG 20 -1.814 2.139 -8.847 139 HE ARG 20 HE ARG 20 0.191 2.449 -6.792 140 1HH1 ARG 20 1HH1 ARG 20 -1.438 3.943 -9.493 141 2HH1 ARG 20 2HH1 ARG 20 -1.064 5.555 -8.983 142 1HH2 ARG 20 1HH2 ARG 20 0.682 4.558 -6.122 143 2HH2 ARG 20 2HH2 ARG 20 0.143 5.905 -7.067 144 H VAL 21 HN VAL 21 -0.182 -3.186 -6.875 145 HA VAL 21 HA VAL 21 -2.476 -4.828 -6.123 146 HB VAL 21 HB VAL 21 -0.836 -6.086 -4.763 147 1HG1 VAL 21 1HG1 VAL 21 0.160 -7.235 -6.545 148 2HG1 VAL 21 2HG1 VAL 21 0.307 -5.770 -7.520 149 3HG1 VAL 21 3HG1 VAL 21 -1.279 -6.496 -7.257 150 1HG2 VAL 21 1HG2 VAL 21 1.050 -5.103 -4.136 151 2HG2 VAL 21 2HG2 VAL 21 0.734 -3.735 -5.202 152 3HG2 VAL 21 3HG2 VAL 21 1.602 -5.145 -5.810 153 H THR 22 HN THR 22 -2.709 -5.293 -3.718 154 HA THR 22 HA THR 22 -2.278 -2.835 -2.144 155 HB THR 22 HB THR 22 -4.590 -4.778 -1.931 156 HG1 THR 22 HG1 THR 22 -4.792 -3.371 -3.699 157 1HG2 THR 22 1HG2 THR 22 -3.562 -2.892 -0.039 158 2HG2 THR 22 2HG2 THR 22 -4.933 -3.999 0.105 159 3HG2 THR 22 3HG2 THR 22 -5.165 -2.393 -0.587 160 H ILE 23 HN ILE 23 -0.719 -3.239 -0.683 161 HA ILE 23 HA ILE 23 -0.705 -5.905 0.581 162 HB ILE 23 HB ILE 23 1.719 -5.808 0.720 163 1HG1 ILE 23 2HG1 ILE 23 1.449 -3.227 -0.822 164 2HG1 ILE 23 1HG1 ILE 23 2.050 -3.417 0.822 165 1HG2 ILE 23 1HG2 ILE 23 2.249 -5.961 -1.747 166 2HG2 ILE 23 2HG2 ILE 23 0.568 -5.502 -2.036 167 3HG2 ILE 23 3HG2 ILE 23 0.941 -6.986 -1.162 168 1HD1 ILE 23 1HD1 ILE 23 3.514 -5.044 -1.050 169 2HD1 ILE 23 2HD1 ILE 23 4.096 -3.854 0.112 170 3HD1 ILE 23 3HD1 ILE 23 3.553 -3.336 -1.485 171 H ASP 24 HN ASP 24 0.256 -6.034 2.664 172 HA ASP 24 HA ASP 24 0.359 -3.525 4.218 173 1HB ASP 24 HB2 ASP 24 -0.567 -4.875 6.151 174 2HB ASP 24 HB1 ASP 24 -1.722 -4.582 4.859 175 H PHE 25 HN PHE 25 2.385 -3.359 5.174 176 HA PHE 25 HA PHE 25 3.753 -5.860 5.861 177 1HB PHE 25 HB2 PHE 25 5.782 -5.241 4.742 178 2HB PHE 25 HB1 PHE 25 4.456 -5.165 3.585 179 HD1 PHE 25 HD1 PHE 25 4.178 -3.277 2.280 180 HD2 PHE 25 HD2 PHE 25 6.457 -3.011 5.870 181 HE1 PHE 25 HE1 PHE 25 4.767 -0.954 1.745 182 HE2 PHE 25 HE2 PHE 25 7.042 -0.676 5.325 183 HZ PHE 25 HZ PHE 25 6.187 0.344 3.254 184 H THR 26 HN THR 26 5.829 -5.485 7.004 185 HA THR 26 HA THR 26 5.988 -3.027 8.560 186 HB THR 26 HB THR 26 5.586 -5.746 9.823 187 HG1 THR 26 HG1 THR 26 3.645 -4.810 9.206 188 1HG2 THR 26 1HG2 THR 26 6.576 -3.202 10.948 189 2HG2 THR 26 2HG2 THR 26 6.906 -4.867 11.427 190 3HG2 THR 26 3HG2 THR 26 5.390 -4.099 11.897 191 H GLY 27 HN GLY 27 8.087 -2.458 8.462 192 1HA GLY 27 HA2 GLY 27 10.140 -4.394 9.125 193 2HA GLY 27 HA1 GLY 27 10.181 -3.842 7.465 194 H SER 28 HN SER 28 12.362 -3.445 8.898 195 HA SER 28 HA SER 28 12.289 -0.623 9.758 196 1HB SER 28 HB2 SER 28 14.774 -1.878 10.430 197 2HB SER 28 HB1 SER 28 13.524 -1.280 11.515 198 HG SER 28 HG SER 28 12.918 -3.255 11.873 199 H VAL 29 HN VAL 29 14.596 0.378 9.495 200 HA VAL 29 HA VAL 29 15.508 -0.139 6.769 201 HB VAL 29 HB VAL 29 14.411 1.938 6.651 202 1HG1 VAL 29 1HG1 VAL 29 14.153 3.407 8.295 203 2HG1 VAL 29 2HG1 VAL 29 15.881 3.466 8.640 204 3HG1 VAL 29 3HG1 VAL 29 14.886 2.189 9.337 205 1HG2 VAL 29 1HG2 VAL 29 16.222 2.335 5.357 206 2HG2 VAL 29 2HG2 VAL 29 17.371 2.064 6.668 207 3HG2 VAL 29 3HG2 VAL 29 16.491 3.588 6.569 208 H ASP 30 HN ASP 30 16.837 1.818 9.452 209 HA ASP 30 HA ASP 30 19.407 0.514 8.978 210 1HB ASP 30 HB2 ASP 30 18.887 3.133 9.306 211 2HB ASP 30 HB1 ASP 30 19.167 2.689 10.986 212 H GLY 31 HN GLY 31 17.377 -1.021 10.184 213 1HA GLY 31 HA2 GLY 31 17.642 -2.679 11.859 214 2HA GLY 31 HA1 GLY 31 18.655 -1.563 12.765 215 H GLU 32 HN GLU 32 16.401 0.480 11.993 216 HA GLU 32 HA GLU 32 14.442 -0.366 14.011 217 1HB GLU 32 HB2 GLU 32 15.597 2.422 13.821 218 2HB GLU 32 HB1 GLU 32 14.434 1.842 15.005 219 1HG GLU 32 HG2 GLU 32 17.002 0.394 14.848 220 2HG GLU 32 HG1 GLU 32 17.046 2.033 15.494 221 H GLU 33 HN GLU 33 12.455 -0.285 13.234 222 HA GLU 33 HA GLU 33 11.777 0.553 10.691 223 1HB GLU 33 HB2 GLU 33 9.397 0.404 11.556 224 2HB GLU 33 HB1 GLU 33 10.378 -1.044 11.724 225 1HG GLU 33 HG2 GLU 33 10.066 -1.068 13.911 226 2HG GLU 33 HG1 GLU 33 10.642 0.592 14.060 227 H PHE 34 HN PHE 34 11.587 2.490 9.854 228 HA PHE 34 HA PHE 34 11.461 4.829 11.493 229 1HB PHE 34 HB2 PHE 34 11.927 6.024 9.474 230 2HB PHE 34 HB1 PHE 34 12.952 4.601 9.519 231 HD1 PHE 34 HD1 PHE 34 11.712 2.457 8.309 232 HD2 PHE 34 HD2 PHE 34 11.085 6.577 7.430 233 HE1 PHE 34 HE1 PHE 34 10.941 1.858 6.057 234 HE2 PHE 34 HE2 PHE 34 10.312 5.976 5.174 235 HZ PHE 34 HZ PHE 34 10.238 3.617 4.488 236 H GLU 35 HN GLU 35 10.029 6.034 9.033 237 HA GLU 35 HA GLU 35 7.483 6.302 10.268 238 1HB GLU 35 HB2 GLU 35 8.574 7.192 7.600 239 2HB GLU 35 HB1 GLU 35 6.928 7.530 8.115 240 1HG GLU 35 HG2 GLU 35 8.578 8.352 10.225 241 2HG GLU 35 HG1 GLU 35 9.359 8.908 8.745 242 H GLY 36 HN GLY 36 8.556 4.871 7.186 243 1HA GLY 36 HA2 GLY 36 5.983 3.644 6.723 244 2HA GLY 36 HA1 GLY 36 7.414 3.487 5.715 245 H GLY 37 HN GLY 37 8.054 2.833 8.985 246 1HA GLY 37 HA2 GLY 37 8.834 0.208 8.531 247 2HA GLY 37 HA1 GLY 37 8.515 0.903 10.109 248 H LYS 38 HN LYS 38 5.663 1.367 8.731 249 HA LYS 38 HA LYS 38 4.676 -1.351 8.834 250 1HB LYS 38 HB2 LYS 38 4.617 0.197 11.152 251 2HB LYS 38 HB1 LYS 38 2.985 0.310 10.508 252 1HG LYS 38 HG2 LYS 38 2.682 -2.026 10.592 253 2HG LYS 38 HG1 LYS 38 4.402 -2.311 10.863 254 1HD LYS 38 HD2 LYS 38 2.585 -0.863 12.786 255 2HD LYS 38 HD1 LYS 38 3.012 -2.571 12.907 256 1HE LYS 38 HE2 LYS 38 5.378 -0.964 12.599 257 2HE LYS 38 HE1 LYS 38 4.411 -0.380 13.953 258 1HZ LYS 38 HZ1 LYS 38 4.821 -2.218 15.146 259 2HZ LYS 38 HZ2 LYS 38 6.155 -2.393 14.120 260 3HZ LYS 38 HZ3 LYS 38 4.732 -3.256 13.812 261 H ALA 39 HN ALA 39 3.283 -1.601 7.261 262 HA ALA 39 HA ALA 39 1.520 0.620 6.511 263 1HB ALA 39 HB1 ALA 39 2.860 0.854 4.696 264 2HB ALA 39 HB2 ALA 39 1.880 -0.484 4.098 265 3HB ALA 39 HB3 ALA 39 3.472 -0.799 4.795 266 H SER 40 HN SER 40 -0.519 0.026 5.853 267 HA SER 40 HA SER 40 -1.162 -2.830 6.183 268 1HB SER 40 HB2 SER 40 -2.099 -1.048 7.832 269 2HB SER 40 HB1 SER 40 -3.186 -0.632 6.507 270 HG SER 40 HG SER 40 -4.246 -2.436 6.804 271 H ASP 41 HN ASP 41 -2.481 0.080 4.566 272 HA ASP 41 HA ASP 41 -3.314 -1.605 2.346 273 1HB ASP 41 HB2 ASP 41 -4.679 0.447 1.719 274 2HB ASP 41 HB1 ASP 41 -5.193 -0.387 3.183 275 H PHE 42 HN PHE 42 -0.926 -1.579 1.849 276 HA PHE 42 HA PHE 42 0.014 0.978 0.810 277 1HB PHE 42 HB2 PHE 42 1.595 -0.419 2.124 278 2HB PHE 42 HB1 PHE 42 1.467 -1.674 0.898 279 HD1 PHE 42 HD1 PHE 42 3.706 -1.750 0.121 280 HD2 PHE 42 HD2 PHE 42 1.638 1.969 0.294 281 HE1 PHE 42 HE1 PHE 42 5.510 -0.687 -1.166 282 HE2 PHE 42 HE2 PHE 42 3.444 3.037 -0.986 283 HZ PHE 42 HZ PHE 42 5.384 1.709 -1.718 284 H VAL 43 HN VAL 43 -0.790 1.473 -1.110 285 HA VAL 43 HA VAL 43 -1.492 -0.550 -3.020 286 HB VAL 43 HB VAL 43 -2.788 1.552 -2.674 287 1HG1 VAL 43 1HG1 VAL 43 -1.981 3.620 -3.040 288 2HG1 VAL 43 2HG1 VAL 43 -0.976 3.106 -4.396 289 3HG1 VAL 43 3HG1 VAL 43 -0.427 2.843 -2.742 290 1HG2 VAL 43 1HG2 VAL 43 -2.199 0.183 -5.044 291 2HG2 VAL 43 2HG2 VAL 43 -2.216 1.897 -5.464 292 3HG2 VAL 43 3HG2 VAL 43 -3.622 1.166 -4.692 293 H LEU 44 HN LEU 44 0.295 -1.577 -3.788 294 HA LEU 44 HA LEU 44 2.566 -0.006 -4.683 295 1HB LEU 44 HB2 LEU 44 2.273 -2.551 -3.599 296 2HB LEU 44 HB1 LEU 44 2.717 -2.836 -5.270 297 HG LEU 44 HG LEU 44 4.281 -1.399 -3.146 298 1HD1 LEU 44 1HD1 LEU 44 4.911 -3.588 -3.071 299 2HD1 LEU 44 2HD1 LEU 44 6.013 -2.983 -4.304 300 3HD1 LEU 44 3HD1 LEU 44 4.564 -3.860 -4.781 301 1HD2 LEU 44 1HD2 LEU 44 5.917 -0.833 -4.925 302 2HD2 LEU 44 2HD2 LEU 44 4.398 0.049 -5.071 303 3HD2 LEU 44 3HD2 LEU 44 4.725 -1.323 -6.129 304 H ALA 45 HN ALA 45 3.027 0.474 -6.713 305 HA ALA 45 HA ALA 45 1.166 -0.387 -8.804 306 1HB ALA 45 HB1 ALA 45 3.309 1.721 -8.987 307 2HB ALA 45 HB2 ALA 45 1.662 2.034 -8.444 308 3HB ALA 45 HB3 ALA 45 1.956 1.465 -10.087 309 H MET 46 HN MET 46 1.786 -2.303 -9.682 310 HA MET 46 HA MET 46 4.491 -3.118 -9.923 311 1HB MET 46 HB2 MET 46 1.895 -4.256 -10.357 312 2HB MET 46 HB1 MET 46 2.921 -4.597 -11.746 313 1HG MET 46 HG2 MET 46 4.279 -4.997 -9.215 314 2HG MET 46 HG1 MET 46 2.846 -6.004 -9.390 315 1HE MET 46 HE1 MET 46 6.733 -5.735 -11.270 316 2HE MET 46 HE2 MET 46 5.530 -4.450 -11.376 317 3HE MET 46 HE3 MET 46 5.771 -5.548 -12.735 318 H GLY 47 HN GLY 47 5.458 -1.366 -11.004 319 1HA GLY 47 HA2 GLY 47 6.606 -0.952 -13.058 320 2HA GLY 47 HA1 GLY 47 5.217 -1.583 -13.926 321 H GLN 48 HN GLN 48 6.047 1.087 -11.716 322 HA GLN 48 HA GLN 48 4.433 2.858 -13.435 323 1HB GLN 48 HB2 GLN 48 3.958 2.264 -10.762 324 2HB GLN 48 HB1 GLN 48 4.782 3.818 -10.704 325 1HG GLN 48 HG2 GLN 48 2.342 3.228 -12.364 326 2HG GLN 48 HG1 GLN 48 2.326 4.008 -10.783 327 1HE2 GLN 48 1HE2 GLN 48 2.740 4.414 -14.132 328 2HE2 GLN 48 2HE2 GLN 48 3.126 6.097 -14.122 329 H GLY 49 HN GLY 49 6.825 3.193 -10.805 330 1HA GLY 49 HA2 GLY 49 8.147 5.295 -12.375 331 2HA GLY 49 HA1 GLY 49 8.343 5.025 -10.648 332 H ARG 50 HN ARG 50 9.067 2.542 -10.324 333 HA ARG 50 HA ARG 50 10.799 1.349 -12.145 334 1HB ARG 50 HB2 ARG 50 12.994 1.979 -11.300 335 2HB ARG 50 HB1 ARG 50 12.143 3.400 -11.886 336 1HG ARG 50 HG2 ARG 50 12.365 4.400 -9.925 337 2HG ARG 50 HG1 ARG 50 11.595 3.041 -9.100 338 1HD ARG 50 HD2 ARG 50 13.931 3.598 -8.339 339 2HD ARG 50 HD1 ARG 50 13.660 1.924 -8.819 340 HE ARG 50 HE ARG 50 14.855 3.864 -10.680 341 1HH1 ARG 50 1HH1 ARG 50 15.027 0.839 -8.930 342 2HH1 ARG 50 2HH1 ARG 50 16.416 0.283 -9.795 343 1HH2 ARG 50 1HH2 ARG 50 16.679 3.122 -11.808 344 2HH2 ARG 50 2HH2 ARG 50 17.354 1.575 -11.424 345 H MET 51 HN MET 51 9.203 -0.048 -10.874 346 HA MET 51 HA MET 51 9.356 -0.749 -8.252 347 1HB MET 51 HB2 MET 51 7.932 -1.734 -10.200 348 2HB MET 51 HB1 MET 51 9.224 -2.920 -10.318 349 1HG MET 51 HG2 MET 51 8.058 -4.076 -8.818 350 2HG MET 51 HG1 MET 51 8.689 -2.926 -7.642 351 1HE MET 51 HE1 MET 51 7.461 -0.615 -7.156 352 2HE MET 51 HE2 MET 51 5.756 -0.309 -7.489 353 3HE MET 51 HE3 MET 51 6.933 -0.272 -8.804 354 H ILE 52 HN ILE 52 11.043 -1.146 -7.018 355 HA ILE 52 HA ILE 52 13.562 -2.008 -8.011 356 HB ILE 52 HB ILE 52 13.895 -2.493 -5.409 357 1HG1 ILE 52 2HG1 ILE 52 11.663 -0.453 -5.405 358 2HG1 ILE 52 1HG1 ILE 52 11.456 -2.137 -4.935 359 1HG2 ILE 52 1HG2 ILE 52 15.065 -0.820 -6.762 360 2HG2 ILE 52 2HG2 ILE 52 14.657 -0.210 -5.158 361 3HG2 ILE 52 3HG2 ILE 52 13.705 0.286 -6.557 362 1HD1 ILE 52 1HD1 ILE 52 11.943 -1.491 -2.873 363 2HD1 ILE 52 2HD1 ILE 52 12.482 0.096 -3.424 364 3HD1 ILE 52 3HD1 ILE 52 13.603 -1.265 -3.423 365 HA PRO 53 HA PRO 53 13.386 -6.399 -7.923 366 1HB PRO 53 HB2 PRO 53 15.567 -7.095 -6.395 367 2HB PRO 53 HB1 PRO 53 15.655 -6.615 -8.093 368 1HG PRO 53 HG2 PRO 53 16.154 -4.988 -5.632 369 2HG PRO 53 HG1 PRO 53 17.053 -5.012 -7.161 370 1HD PRO 53 HD2 PRO 53 15.314 -3.053 -6.592 371 2HD PRO 53 HD1 PRO 53 15.492 -3.679 -8.245 372 H GLY 54 HN GLY 54 13.411 -4.631 -4.963 373 1HA GLY 54 HA2 GLY 54 12.952 -6.819 -3.193 374 2HA GLY 54 HA1 GLY 54 12.694 -5.116 -2.843 375 H PHE 55 HN PHE 55 10.756 -4.230 -4.284 376 HA PHE 55 HA PHE 55 8.459 -5.562 -3.304 377 1HB PHE 55 HB2 PHE 55 8.903 -3.175 -5.076 378 2HB PHE 55 HB1 PHE 55 7.288 -3.809 -4.810 379 HD1 PHE 55 HD1 PHE 55 6.719 -4.168 -2.191 380 HD2 PHE 55 HD2 PHE 55 9.599 -1.455 -3.767 381 HE1 PHE 55 HE1 PHE 55 6.549 -2.818 -0.161 382 HE2 PHE 55 HE2 PHE 55 9.429 -0.094 -1.727 383 HZ PHE 55 HZ PHE 55 7.897 -0.773 0.076 384 H GLU 56 HN GLU 56 9.727 -4.994 -6.573 385 HA GLU 56 HA GLU 56 7.778 -6.223 -8.071 386 1HB GLU 56 HB2 GLU 56 9.874 -5.002 -8.864 387 2HB GLU 56 HB1 GLU 56 10.717 -6.530 -8.666 388 1HG GLU 56 HG2 GLU 56 8.734 -7.408 -10.174 389 2HG GLU 56 HG1 GLU 56 8.697 -5.721 -10.679 390 H ASP 57 HN ASP 57 10.044 -7.693 -5.916 391 HA ASP 57 HA ASP 57 9.833 -10.325 -7.048 392 1HB ASP 57 HB2 ASP 57 11.844 -9.531 -5.804 393 2HB ASP 57 HB1 ASP 57 10.887 -9.535 -4.326 394 H GLY 58 HN GLY 58 9.099 -9.403 -3.662 395 1HA GLY 58 HA2 GLY 58 7.285 -11.529 -3.323 396 2HA GLY 58 HA1 GLY 58 7.437 -10.140 -2.259 397 H ILE 59 HN ILE 59 6.649 -8.066 -3.699 398 HA ILE 59 HA ILE 59 3.825 -8.461 -3.952 399 HB ILE 59 HB ILE 59 5.428 -5.944 -4.475 400 1HG1 ILE 59 2HG1 ILE 59 4.808 -5.495 -2.011 401 2HG1 ILE 59 1HG1 ILE 59 4.638 -7.228 -1.867 402 1HG2 ILE 59 1HG2 ILE 59 2.572 -6.607 -3.976 403 2HG2 ILE 59 2HG2 ILE 59 3.291 -5.422 -5.067 404 3HG2 ILE 59 3HG2 ILE 59 3.195 -5.084 -3.339 405 1HD1 ILE 59 1HD1 ILE 59 7.122 -6.350 -3.100 406 2HD1 ILE 59 2HD1 ILE 59 6.852 -7.522 -1.817 407 3HD1 ILE 59 3HD1 ILE 59 6.911 -5.801 -1.445 408 H LYS 60 HN LYS 60 5.296 -9.806 -5.797 409 HA LYS 60 HA LYS 60 5.519 -8.644 -8.362 410 1HB LYS 60 HB2 LYS 60 4.814 -10.976 -9.248 411 2HB LYS 60 HB1 LYS 60 6.304 -10.856 -8.329 412 1HG LYS 60 HG2 LYS 60 4.565 -11.424 -6.348 413 2HG LYS 60 HG1 LYS 60 3.796 -12.253 -7.702 414 1HD LYS 60 HD2 LYS 60 6.711 -12.574 -7.030 415 2HD LYS 60 HD1 LYS 60 5.458 -13.615 -6.360 416 1HE LYS 60 HE2 LYS 60 4.764 -14.102 -8.737 417 2HE LYS 60 HE1 LYS 60 6.233 -13.271 -9.248 418 1HZ LYS 60 HZ1 LYS 60 7.555 -14.937 -8.485 419 2HZ LYS 60 HZ2 LYS 60 6.185 -15.854 -8.861 420 3HZ LYS 60 HZ3 LYS 60 6.487 -15.403 -7.260 421 H GLY 61 HN GLY 61 2.836 -10.274 -6.814 422 1HA GLY 61 HA2 GLY 61 0.624 -9.221 -6.739 423 2HA GLY 61 HA1 GLY 61 0.929 -8.660 -8.377 424 H HIS 62 HN HIS 62 1.452 -11.755 -6.800 425 HA HIS 62 HA HIS 62 -0.314 -12.993 -8.830 426 1HB HIS 62 HB2 HIS 62 1.168 -14.857 -9.033 427 2HB HIS 62 HB1 HIS 62 2.127 -13.392 -9.217 428 HD2 HIS 62 HD2 HIS 62 2.169 -13.171 -5.709 429 HE1 HIS 62 HE1 HIS 62 4.767 -16.468 -6.318 430 HE2 HIS 62 HE2 HIS 62 4.031 -14.667 -4.719 431 H LYS 63 HN LYS 63 0.260 -12.634 -5.498 432 HA LYS 63 HA LYS 63 -1.555 -14.895 -4.978 433 1HB LYS 63 HB2 LYS 63 0.902 -14.068 -3.459 434 2HB LYS 63 HB1 LYS 63 -0.374 -15.011 -2.705 435 1HG LYS 63 HG2 LYS 63 0.985 -15.877 -5.234 436 2HG LYS 63 HG1 LYS 63 1.581 -16.303 -3.628 437 1HD LYS 63 HD2 LYS 63 -0.771 -17.188 -3.178 438 2HD LYS 63 HD1 LYS 63 -1.023 -17.065 -4.920 439 1HE LYS 63 HE2 LYS 63 -0.332 -19.267 -4.629 440 2HE LYS 63 HE1 LYS 63 1.145 -18.438 -5.116 441 1HZ LYS 63 HZ1 LYS 63 0.565 -19.816 -2.691 442 2HZ LYS 63 HZ2 LYS 63 1.092 -18.238 -2.383 443 3HZ LYS 63 HZ3 LYS 63 2.054 -19.289 -3.295 444 H ALA 64 HN ALA 64 -3.353 -13.539 -4.972 445 HA ALA 64 HA ALA 64 -3.614 -11.176 -3.476 446 1HB ALA 64 HB1 ALA 64 -5.816 -11.190 -4.101 447 2HB ALA 64 HB2 ALA 64 -5.975 -12.935 -3.906 448 3HB ALA 64 HB3 ALA 64 -5.143 -12.278 -5.315 449 H GLY 65 HN GLY 65 -2.927 -11.318 -1.351 450 1HA GLY 65 HA2 GLY 65 -3.769 -11.533 0.894 451 2HA GLY 65 HA1 GLY 65 -4.618 -12.986 0.392 452 H GLU 66 HN GLU 66 -1.251 -12.203 -0.289 453 HA GLU 66 HA GLU 66 -0.458 -14.670 1.074 454 1HB GLU 66 HB2 GLU 66 0.191 -14.228 -1.305 455 2HB GLU 66 HB1 GLU 66 1.197 -12.911 -0.733 456 1HG GLU 66 HG2 GLU 66 2.449 -14.986 -1.169 457 2HG GLU 66 HG1 GLU 66 2.583 -14.426 0.497 458 H GLU 67 HN GLU 67 1.633 -14.666 2.222 459 HA GLU 67 HA GLU 67 2.241 -12.116 3.554 460 1HB GLU 67 HB2 GLU 67 0.815 -13.739 4.956 461 2HB GLU 67 HB1 GLU 67 2.258 -14.740 5.033 462 1HG GLU 67 HG2 GLU 67 3.262 -12.341 5.776 463 2HG GLU 67 HG1 GLU 67 1.622 -12.230 6.409 464 H PHE 68 HN PHE 68 4.210 -11.675 2.739 465 HA PHE 68 HA PHE 68 6.296 -13.734 3.033 466 1HB PHE 68 HB2 PHE 68 7.194 -13.006 0.794 467 2HB PHE 68 HB1 PHE 68 5.662 -13.877 0.726 468 HD1 PHE 68 HD1 PHE 68 3.668 -12.819 -0.011 469 HD2 PHE 68 HD2 PHE 68 7.251 -10.586 0.482 470 HE1 PHE 68 HE1 PHE 68 2.636 -10.918 -1.174 471 HE2 PHE 68 HE2 PHE 68 6.222 -8.679 -0.692 472 HZ PHE 68 HZ PHE 68 3.911 -8.850 -1.524 473 H THR 69 HN THR 69 8.518 -12.769 2.736 474 HA THR 69 HA THR 69 8.585 -9.976 3.646 475 HB THR 69 HB THR 69 10.376 -12.203 4.641 476 HG1 THR 69 HG1 THR 69 8.411 -12.476 5.590 477 1HG2 THR 69 1HG2 THR 69 11.645 -10.700 5.651 478 2HG2 THR 69 2HG2 THR 69 10.242 -9.841 6.285 479 3HG2 THR 69 3HG2 THR 69 10.846 -9.473 4.671 480 H ILE 70 HN ILE 70 9.844 -8.673 2.441 481 HA ILE 70 HA ILE 70 12.033 -9.936 0.924 482 HB ILE 70 HB ILE 70 11.550 -8.672 -1.056 483 1HG1 ILE 70 2HG1 ILE 70 10.580 -6.677 0.099 484 2HG1 ILE 70 1HG1 ILE 70 9.657 -7.201 -1.304 485 1HG2 ILE 70 1HG2 ILE 70 9.482 -10.442 0.082 486 2HG2 ILE 70 2HG2 ILE 70 10.443 -10.606 -1.388 487 3HG2 ILE 70 3HG2 ILE 70 9.041 -9.537 -1.364 488 1HD1 ILE 70 1HD1 ILE 70 8.443 -8.559 0.733 489 2HD1 ILE 70 2HD1 ILE 70 7.889 -7.037 0.032 490 3HD1 ILE 70 3HD1 ILE 70 8.883 -7.029 1.492 491 H ASP 71 HN ASP 71 13.517 -8.256 -0.016 492 HA ASP 71 HA ASP 71 14.090 -6.283 2.061 493 1HB ASP 71 HB2 ASP 71 15.706 -7.984 0.508 494 2HB ASP 71 HB1 ASP 71 16.002 -6.367 -0.121 495 H VAL 72 HN VAL 72 14.406 -4.054 1.509 496 HA VAL 72 HA VAL 72 13.672 -3.261 -1.196 497 HB VAL 72 HB VAL 72 12.136 -1.454 -0.078 498 1HG1 VAL 72 1HG1 VAL 72 11.152 -4.275 -0.459 499 2HG1 VAL 72 2HG1 VAL 72 11.482 -3.134 -1.763 500 3HG1 VAL 72 3HG1 VAL 72 10.205 -2.792 -0.593 501 1HG2 VAL 72 1HG2 VAL 72 11.107 -3.459 1.735 502 2HG2 VAL 72 2HG2 VAL 72 11.482 -1.760 2.024 503 3HG2 VAL 72 3HG2 VAL 72 12.748 -2.975 2.167 504 H THR 73 HN THR 73 14.852 -1.568 -1.872 505 HA THR 73 HA THR 73 15.785 0.421 0.000 506 HB THR 73 HB THR 73 17.619 -1.441 -1.512 507 HG1 THR 73 HG1 THR 73 18.655 -1.488 0.519 508 1HG2 THR 73 1HG2 THR 73 18.020 1.390 -1.190 509 2HG2 THR 73 2HG2 THR 73 19.014 0.196 -2.028 510 3HG2 THR 73 3HG2 THR 73 19.235 0.473 -0.300 511 H PHE 74 HN PHE 74 15.452 2.338 -0.969 512 HA PHE 74 HA PHE 74 14.819 2.368 -3.775 513 1HB PHE 74 HB2 PHE 74 14.662 4.424 -1.596 514 2HB PHE 74 HB1 PHE 74 14.280 4.789 -3.278 515 HD1 PHE 74 HD1 PHE 74 13.495 2.076 -0.819 516 HD2 PHE 74 HD2 PHE 74 12.069 4.751 -3.794 517 HE1 PHE 74 HE1 PHE 74 11.217 1.184 -0.525 518 HE2 PHE 74 HE2 PHE 74 9.788 3.879 -3.506 519 HZ PHE 74 HZ PHE 74 9.360 2.099 -1.867 520 HA PRO 75 HA PRO 75 18.893 3.602 -5.058 521 1HB PRO 75 HB2 PRO 75 18.296 4.222 -7.622 522 2HB PRO 75 HB1 PRO 75 18.389 2.554 -7.042 523 1HG PRO 75 HG2 PRO 75 15.972 4.287 -7.445 524 2HG PRO 75 HG1 PRO 75 16.221 2.593 -7.913 525 1HD PRO 75 HD2 PRO 75 14.851 3.283 -5.697 526 2HD PRO 75 HD1 PRO 75 15.850 1.815 -5.771 527 H GLU 76 HN GLU 76 19.789 5.460 -6.520 528 HA GLU 76 HA GLU 76 19.080 7.922 -5.235 529 1HB GLU 76 HB2 GLU 76 20.887 8.873 -6.708 530 2HB GLU 76 HB1 GLU 76 21.397 7.563 -5.653 531 1HG GLU 76 HG2 GLU 76 21.531 6.037 -7.423 532 2HG GLU 76 HG1 GLU 76 20.593 7.074 -8.498 533 H GLU 77 HN GLU 77 17.906 6.312 -7.940 534 HA GLU 77 HA GLU 77 17.262 8.689 -9.471 535 1HB GLU 77 HB2 GLU 77 16.109 5.977 -10.025 536 2HB GLU 77 HB1 GLU 77 16.525 7.257 -11.157 537 1HG GLU 77 HG2 GLU 77 18.947 6.622 -10.028 538 2HG GLU 77 HG1 GLU 77 18.135 5.061 -10.143 539 H TYR 78 HN TYR 78 15.680 6.366 -7.367 540 HA TYR 78 HA TYR 78 13.020 7.259 -7.790 541 1HB TYR 78 HB2 TYR 78 13.975 5.089 -6.630 542 2HB TYR 78 HB1 TYR 78 13.894 6.078 -5.179 543 HD1 TYR 78 HD1 TYR 78 12.108 3.942 -7.364 544 HD2 TYR 78 HD2 TYR 78 11.604 7.177 -4.642 545 HE1 TYR 78 HE1 TYR 78 9.730 3.376 -7.140 546 HE2 TYR 78 HE2 TYR 78 9.221 6.620 -4.415 547 HH TYR 78 HH TYR 78 7.905 3.708 -5.472 548 H HIS 79 HN HIS 79 14.972 7.601 -4.851 549 HA HIS 79 HA HIS 79 14.720 9.083 -3.116 550 1HB HIS 79 HB2 HIS 79 15.677 10.539 -5.536 551 2HB HIS 79 HB1 HIS 79 15.452 11.422 -4.027 552 HD2 HIS 79 HD2 HIS 79 16.722 7.904 -3.338 553 HE1 HIS 79 HE1 HIS 79 20.130 10.435 -3.387 554 HE2 HIS 79 HE2 HIS 79 19.270 8.109 -2.938 555 H ALA 80 HN ALA 80 12.336 8.790 -2.933 556 HA ALA 80 HA ALA 80 10.703 10.946 -3.987 557 1HB ALA 80 HB1 ALA 80 10.056 8.420 -3.604 558 2HB ALA 80 HB2 ALA 80 8.868 9.709 -3.408 559 3HB ALA 80 HB3 ALA 80 9.650 9.008 -1.992 560 H GLU 81 HN GLU 81 9.853 12.609 -2.822 561 HA GLU 81 HA GLU 81 11.222 13.794 -0.801 562 1HB GLU 81 HB2 GLU 81 8.465 14.025 -1.831 563 2HB GLU 81 HB1 GLU 81 8.761 14.743 -0.254 564 1HG GLU 81 HG2 GLU 81 10.894 15.538 -1.901 565 2HG GLU 81 HG1 GLU 81 9.420 15.735 -2.849 566 H ASN 82 HN ASN 82 8.963 11.152 -0.382 567 HA ASN 82 HA ASN 82 8.808 11.680 2.480 568 1HB ASN 82 HB2 ASN 82 7.192 9.789 2.516 569 2HB ASN 82 HB1 ASN 82 6.724 11.115 1.456 570 1HD2 ASN 82 1HD2 ASN 82 8.303 7.965 1.472 571 2HD2 ASN 82 2HD2 ASN 82 7.773 7.493 -0.102 572 H LEU 83 HN LEU 83 10.130 9.151 0.342 573 HA LEU 83 HA LEU 83 11.606 8.173 2.686 574 1HB LEU 83 HB2 LEU 83 11.089 5.946 2.342 575 2HB LEU 83 HB1 LEU 83 9.567 6.771 2.112 576 HG LEU 83 HG LEU 83 9.434 5.352 0.354 577 1HD1 LEU 83 1HD1 LEU 83 9.803 7.757 -0.560 578 2HD1 LEU 83 2HD1 LEU 83 9.777 6.386 -1.665 579 3HD1 LEU 83 3HD1 LEU 83 11.314 7.091 -1.172 580 1HD2 LEU 83 1HD2 LEU 83 12.403 5.406 -0.055 581 2HD2 LEU 83 2HD2 LEU 83 11.236 4.280 -0.725 582 3HD2 LEU 83 3HD2 LEU 83 11.567 4.267 1.002 583 H LYS 84 HN LYS 84 12.191 9.721 0.123 584 HA LYS 84 HA LYS 84 13.654 8.561 -1.767 585 1HB LYS 84 HB2 LYS 84 15.198 10.502 -1.736 586 2HB LYS 84 HB1 LYS 84 13.505 10.956 -1.634 587 1HG LYS 84 HG2 LYS 84 14.495 10.632 1.008 588 2HG LYS 84 HG1 LYS 84 15.625 11.644 0.107 589 1HD LYS 84 HD2 LYS 84 13.390 12.812 -0.688 590 2HD LYS 84 HD1 LYS 84 12.777 12.135 0.824 591 1HE LYS 84 HE2 LYS 84 14.307 13.354 2.116 592 2HE LYS 84 HE1 LYS 84 15.329 13.713 0.725 593 1HZ LYS 84 HZ1 LYS 84 12.841 14.990 1.584 594 2HZ LYS 84 HZ2 LYS 84 13.147 14.904 -0.077 595 3HZ LYS 84 HZ3 LYS 84 14.247 15.682 0.945 596 H GLY 85 HN GLY 85 15.387 7.342 -2.056 597 1HA GLY 85 HA2 GLY 85 17.133 5.936 -1.552 598 2HA GLY 85 HA1 GLY 85 17.787 7.346 -0.737 599 H LYS 86 HN LYS 86 15.024 5.232 0.033 600 HA LYS 86 HA LYS 86 16.118 4.962 2.735 601 1HB LYS 86 HB2 LYS 86 13.763 5.773 2.342 602 2HB LYS 86 HB1 LYS 86 13.379 4.150 1.792 603 1HG LYS 86 HG2 LYS 86 14.659 4.455 4.447 604 2HG LYS 86 HG1 LYS 86 12.965 4.921 4.274 605 1HD LYS 86 HD2 LYS 86 14.136 2.248 3.520 606 2HD LYS 86 HD1 LYS 86 13.208 2.582 4.984 607 1HE LYS 86 HE2 LYS 86 11.379 2.062 3.833 608 2HE LYS 86 HE1 LYS 86 11.626 3.537 2.900 609 1HZ LYS 86 HZ1 LYS 86 13.163 2.094 1.480 610 2HZ LYS 86 HZ2 LYS 86 11.495 1.877 1.304 611 3HZ LYS 86 HZ3 LYS 86 12.399 0.771 2.211 612 H ALA 87 HN ALA 87 17.622 3.335 2.577 613 HA ALA 87 HA ALA 87 16.986 0.815 1.298 614 1HB ALA 87 HB1 ALA 87 19.363 1.241 3.068 615 2HB ALA 87 HB2 ALA 87 19.307 1.972 1.464 616 3HB ALA 87 HB3 ALA 87 19.204 0.220 1.639 617 H ALA 88 HN ALA 88 15.462 -0.386 2.372 618 HA ALA 88 HA ALA 88 16.022 -0.972 5.194 619 1HB ALA 88 HB1 ALA 88 14.191 0.089 5.883 620 2HB ALA 88 HB2 ALA 88 13.207 -0.937 4.843 621 3HB ALA 88 HB3 ALA 88 13.863 0.572 4.223 622 H LYS 89 HN LYS 89 14.073 -2.504 5.878 623 HA LYS 89 HA LYS 89 13.938 -4.779 4.021 624 1HB LYS 89 HB2 LYS 89 14.937 -4.675 6.817 625 2HB LYS 89 HB1 LYS 89 13.861 -6.013 6.437 626 1HG LYS 89 HG2 LYS 89 15.945 -6.904 6.030 627 2HG LYS 89 HG1 LYS 89 15.426 -6.397 4.421 628 1HD LYS 89 HD2 LYS 89 17.698 -5.708 4.711 629 2HD LYS 89 HD1 LYS 89 16.684 -4.267 4.777 630 1HE LYS 89 HE2 LYS 89 17.798 -3.795 6.660 631 2HE LYS 89 HE1 LYS 89 16.774 -5.024 7.401 632 1HZ LYS 89 HZ1 LYS 89 19.503 -5.423 6.300 633 2HZ LYS 89 HZ2 LYS 89 18.515 -6.666 6.879 634 3HZ LYS 89 HZ3 LYS 89 19.056 -5.458 7.931 635 H PHE 90 HN PHE 90 11.887 -5.758 3.981 636 HA PHE 90 HA PHE 90 9.912 -4.787 5.924 637 1HB PHE 90 HB2 PHE 90 9.367 -4.927 2.954 638 2HB PHE 90 HB1 PHE 90 8.196 -4.534 4.204 639 HD1 PHE 90 HD1 PHE 90 8.428 -2.920 1.916 640 HD2 PHE 90 HD2 PHE 90 10.691 -2.780 5.493 641 HE1 PHE 90 HE1 PHE 90 8.833 -0.506 1.564 642 HE2 PHE 90 HE2 PHE 90 11.112 -0.379 5.161 643 HZ PHE 90 HZ PHE 90 10.174 0.762 3.186 644 H ALA 91 HN ALA 91 8.060 -6.158 6.187 645 HA ALA 91 HA ALA 91 8.271 -8.796 4.928 646 1HB ALA 91 HB1 ALA 91 6.889 -8.736 7.501 647 2HB ALA 91 HB2 ALA 91 8.586 -8.278 7.642 648 3HB ALA 91 HB3 ALA 91 8.149 -9.832 6.935 649 H ILE 92 HN ILE 92 6.762 -8.557 3.424 650 HA ILE 92 HA ILE 92 4.364 -7.021 4.011 651 HB ILE 92 HB ILE 92 5.313 -8.083 1.364 652 1HG1 ILE 92 2HG1 ILE 92 6.029 -5.563 2.843 653 2HG1 ILE 92 1HG1 ILE 92 7.085 -6.725 2.081 654 1HG2 ILE 92 1HG2 ILE 92 3.942 -6.107 0.551 655 2HG2 ILE 92 2HG2 ILE 92 3.248 -6.073 2.171 656 3HG2 ILE 92 3HG2 ILE 92 3.070 -7.511 1.164 657 1HD1 ILE 92 1HD1 ILE 92 5.752 -4.386 0.981 658 2HD1 ILE 92 2HD1 ILE 92 5.630 -5.826 -0.029 659 3HD1 ILE 92 3HD1 ILE 92 7.216 -5.216 0.452 660 H ASN 93 HN ASN 93 2.351 -7.587 3.072 661 HA ASN 93 HA ASN 93 1.805 -10.439 2.740 662 1HB ASN 93 HB2 ASN 93 1.276 -9.592 5.104 663 2HB ASN 93 HB1 ASN 93 0.004 -8.641 4.353 664 1HD2 ASN 93 1HD2 ASN 93 -1.555 -9.871 3.016 665 2HD2 ASN 93 2HD2 ASN 93 -2.032 -11.434 3.575 666 H LEU 94 HN LEU 94 1.235 -10.416 0.613 667 HA LEU 94 HA LEU 94 0.035 -8.222 -0.691 668 1HB LEU 94 HB2 LEU 94 1.388 -10.133 -1.697 669 2HB LEU 94 HB1 LEU 94 -0.098 -11.058 -1.665 670 HG LEU 94 HG LEU 94 -1.150 -9.354 -3.125 671 1HD1 LEU 94 1HD1 LEU 94 0.745 -7.937 -4.325 672 2HD1 LEU 94 2HD1 LEU 94 1.485 -8.060 -2.729 673 3HD1 LEU 94 3HD1 LEU 94 -0.117 -7.343 -2.905 674 1HD2 LEU 94 1HD2 LEU 94 -0.217 -11.331 -4.131 675 2HD2 LEU 94 2HD2 LEU 94 1.395 -10.614 -4.134 676 3HD2 LEU 94 3HD2 LEU 94 0.128 -9.943 -5.158 677 H LYS 95 HN LYS 95 -2.036 -8.100 -1.734 678 HA LYS 95 HA LYS 95 -4.129 -9.833 -0.742 679 1HB LYS 95 HB2 LYS 95 -3.957 -6.919 -0.006 680 2HB LYS 95 HB1 LYS 95 -5.487 -7.783 -0.021 681 1HG LYS 95 HG2 LYS 95 -4.722 -9.299 1.666 682 2HG LYS 95 HG1 LYS 95 -3.093 -8.623 1.595 683 1HD LYS 95 HD2 LYS 95 -3.802 -6.574 2.547 684 2HD LYS 95 HD1 LYS 95 -5.507 -6.980 2.324 685 1HE LYS 95 HE2 LYS 95 -5.087 -8.933 3.893 686 2HE LYS 95 HE1 LYS 95 -3.546 -8.165 4.272 687 1HZ LYS 95 HZ1 LYS 95 -4.790 -6.175 4.948 688 2HZ LYS 95 HZ2 LYS 95 -5.189 -7.528 5.881 689 3HZ LYS 95 HZ3 LYS 95 -6.245 -6.996 4.673 690 H LYS 96 HN LYS 96 -5.184 -6.728 -1.704 691 HA LYS 96 HA LYS 96 -6.439 -7.824 -4.006 692 1HB LYS 96 HB2 LYS 96 -6.279 -5.010 -2.945 693 2HB LYS 96 HB1 LYS 96 -7.186 -5.435 -4.390 694 1HG LYS 96 HG2 LYS 96 -8.502 -7.039 -3.019 695 2HG LYS 96 HG1 LYS 96 -7.669 -6.424 -1.590 696 1HD LYS 96 HD2 LYS 96 -8.907 -4.551 -1.535 697 2HD LYS 96 HD1 LYS 96 -8.820 -4.334 -3.284 698 1HE LYS 96 HE2 LYS 96 -10.622 -5.826 -3.650 699 2HE LYS 96 HE1 LYS 96 -10.571 -6.407 -1.987 700 1HZ LYS 96 HZ1 LYS 96 -11.091 -3.561 -2.489 701 2HZ LYS 96 HZ2 LYS 96 -11.605 -4.535 -1.205 702 3HZ LYS 96 HZ3 LYS 96 -12.345 -4.675 -2.721 703 H VAL 97 HN VAL 97 -5.191 -8.393 -5.689 704 HA VAL 97 HA VAL 97 -3.361 -6.391 -6.817 705 HB VAL 97 HB VAL 97 -2.108 -8.339 -6.307 706 1HG1 VAL 97 1HG1 VAL 97 -3.152 -10.517 -7.630 707 2HG1 VAL 97 2HG1 VAL 97 -4.582 -9.728 -6.966 708 3HG1 VAL 97 3HG1 VAL 97 -3.265 -10.211 -5.897 709 1HG2 VAL 97 1HG2 VAL 97 -2.441 -9.253 -9.032 710 2HG2 VAL 97 2HG2 VAL 97 -1.080 -8.421 -8.283 711 3HG2 VAL 97 3HG2 VAL 97 -2.426 -7.491 -8.941 712 H GLU 98 HN GLU 98 -4.512 -5.283 -8.310 713 HA GLU 98 HA GLU 98 -6.045 -6.850 -10.278 714 1HB GLU 98 HB2 GLU 98 -6.745 -4.105 -9.235 715 2HB GLU 98 HB1 GLU 98 -7.675 -5.049 -10.393 716 1HG GLU 98 HG2 GLU 98 -8.848 -5.755 -8.642 717 2HG GLU 98 HG1 GLU 98 -7.448 -6.750 -8.248 718 H GLU 99 HN GLU 99 -6.613 -5.102 -12.207 719 HA GLU 99 HA GLU 99 -3.966 -4.165 -13.067 720 1HB GLU 99 HB2 GLU 99 -4.973 -5.950 -14.436 721 2HB GLU 99 HB1 GLU 99 -6.338 -4.896 -14.776 722 1HG GLU 99 HG2 GLU 99 -3.966 -3.490 -15.431 723 2HG GLU 99 HG1 GLU 99 -3.867 -5.098 -16.145 724 H ARG 100 HN ARG 100 -3.992 -2.134 -12.201 725 HA ARG 100 HA ARG 100 -6.102 -0.250 -12.615 726 1HB ARG 100 HB2 ARG 100 -4.585 1.354 -11.636 727 2HB ARG 100 HB1 ARG 100 -4.502 -0.150 -10.726 728 1HG ARG 100 HG2 ARG 100 -2.329 -0.372 -11.137 729 2HG ARG 100 HG1 ARG 100 -2.563 -0.117 -12.863 730 1HD ARG 100 HD2 ARG 100 -2.823 2.379 -12.182 731 2HD ARG 100 HD1 ARG 100 -1.980 1.878 -10.718 732 HE ARG 100 HE ARG 100 -0.228 1.001 -12.322 733 1HH1 ARG 100 1HH1 ARG 100 -2.224 3.779 -13.039 734 2HH1 ARG 100 2HH1 ARG 100 -1.079 4.469 -14.137 735 1HH2 ARG 100 1HH2 ARG 100 1.277 1.921 -13.753 736 2HH2 ARG 100 2HH2 ARG 100 0.908 3.420 -14.538 737 H GLU 101 HN GLU 101 -5.420 1.965 -13.503 738 HA GLU 101 HA GLU 101 -3.594 2.296 -15.554 739 1HB GLU 101 HB2 GLU 101 -5.607 0.597 -16.416 740 2HB GLU 101 HB1 GLU 101 -6.078 2.159 -17.071 741 1HG GLU 101 HG2 GLU 101 -3.488 2.185 -17.725 742 2HG GLU 101 HG1 GLU 101 -3.768 0.445 -17.724 743 H LEU 102 HN LEU 102 -3.747 4.131 -14.041 744 HA LEU 102 HA LEU 102 -5.868 6.042 -14.729 745 1HB LEU 102 HB2 LEU 102 -5.829 5.880 -12.415 746 2HB LEU 102 HB1 LEU 102 -4.091 5.677 -12.354 747 HG LEU 102 HG LEU 102 -4.902 8.303 -13.359 748 1HD1 LEU 102 1HD1 LEU 102 -5.599 9.165 -11.165 749 2HD1 LEU 102 2HD1 LEU 102 -5.642 7.513 -10.545 750 3HD1 LEU 102 3HD1 LEU 102 -6.751 8.006 -11.825 751 1HD2 LEU 102 1HD2 LEU 102 -3.325 8.037 -10.896 752 2HD2 LEU 102 2HD2 LEU 102 -2.980 8.932 -12.376 753 3HD2 LEU 102 3HD2 LEU 102 -2.663 7.200 -12.301 754 HA PRO 103 HA PRO 103 -2.342 7.636 -17.192 755 1HB PRO 103 HB2 PRO 103 -3.880 8.975 -18.989 756 2HB PRO 103 HB1 PRO 103 -3.518 7.250 -19.124 757 1HG PRO 103 HG2 PRO 103 -5.971 8.593 -18.056 758 2HG PRO 103 HG1 PRO 103 -5.841 7.178 -19.116 759 1HD PRO 103 HD2 PRO 103 -6.317 6.965 -16.465 760 2HD PRO 103 HD1 PRO 103 -5.386 5.750 -17.362 761 H GLU 104 HN GLU 104 -1.363 9.210 -16.084 762 HA GLU 104 HA GLU 104 -2.877 11.605 -15.336 763 1HB GLU 104 HB2 GLU 104 -1.160 10.125 -13.857 764 2HB GLU 104 HB1 GLU 104 -0.053 11.331 -14.498 765 1HG GLU 104 HG2 GLU 104 -2.069 12.920 -13.688 766 2HG GLU 104 HG1 GLU 104 -2.218 11.600 -12.528 767 H LEU 105 HN LEU 105 -2.449 13.586 -16.152 768 HA LEU 105 HA LEU 105 -0.421 13.732 -18.278 769 1HB LEU 105 HB2 LEU 105 -2.999 14.169 -18.620 770 2HB LEU 105 HB1 LEU 105 -2.599 15.752 -17.980 771 HG LEU 105 HG LEU 105 -2.599 15.786 -20.410 772 1HD1 LEU 105 1HD1 LEU 105 -0.613 16.956 -20.712 773 2HD1 LEU 105 2HD1 LEU 105 0.280 15.923 -19.595 774 3HD1 LEU 105 3HD1 LEU 105 -0.901 17.078 -18.977 775 1HD2 LEU 105 1HD2 LEU 105 -1.236 14.430 -21.755 776 2HD2 LEU 105 2HD2 LEU 105 -1.951 13.328 -20.577 777 3HD2 LEU 105 3HD2 LEU 105 -0.286 13.871 -20.377 778 H THR 106 HN THR 106 1.294 14.211 -16.836 779 HA THR 106 HA THR 106 1.139 16.550 -15.153 780 HB THR 106 HB THR 106 3.763 15.943 -15.132 781 HG1 THR 106 HG1 THR 106 3.842 14.273 -16.493 782 1HG2 THR 106 1HG2 THR 106 2.930 15.756 -13.053 783 2HG2 THR 106 2HG2 THR 106 2.986 14.036 -13.434 784 3HG2 THR 106 3HG2 THR 106 1.471 14.923 -13.590 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -10.074 23.996 3.021 2 2H GLY 1 HT2 GLY 1 -8.460 23.542 3.249 3 3H GLY 1 HT3 GLY 1 -9.633 22.365 2.927 4 1HA GLY 1 HA1 GLY 1 -9.148 24.534 0.995 5 2HA GLY 1 HA2 GLY 1 -8.083 23.136 1.033 6 H SER 2 HN SER 2 -8.784 21.191 0.234 7 HA SER 2 HA SER 2 -11.525 20.672 -0.383 8 1HB SER 2 HB2 SER 2 -10.946 20.435 -2.919 9 2HB SER 2 HB1 SER 2 -11.350 22.026 -2.275 10 HG SER 2 HG SER 2 -8.668 21.287 -2.201 11 H HIS 3 HN HIS 3 -11.543 18.671 -2.026 12 HA HIS 3 HA HIS 3 -9.376 16.852 -1.208 13 1HB HIS 3 HB2 HIS 3 -12.143 16.689 -0.541 14 2HB HIS 3 HB1 HIS 3 -11.778 15.367 -1.645 15 HD2 HIS 3 HD2 HIS 3 -9.210 14.012 -0.649 16 HE1 HIS 3 HE1 HIS 3 -10.583 14.509 3.336 17 HE2 HIS 3 HE2 HIS 3 -9.023 13.243 1.814 18 H MET 4 HN MET 4 -8.811 15.213 -2.684 19 HA MET 4 HA MET 4 -9.988 15.429 -5.366 20 1HB MET 4 HB2 MET 4 -7.781 16.725 -5.068 21 2HB MET 4 HB1 MET 4 -7.018 15.145 -4.972 22 1HG MET 4 HG2 MET 4 -8.815 15.685 -7.270 23 2HG MET 4 HG1 MET 4 -7.236 16.466 -7.245 24 1HE MET 4 HE1 MET 4 -5.312 14.725 -8.994 25 2HE MET 4 HE2 MET 4 -6.795 15.631 -9.298 26 3HE MET 4 HE3 MET 4 -6.660 13.955 -9.831 27 H GLN 5 HN GLN 5 -11.030 13.481 -5.251 28 HA GLN 5 HA GLN 5 -9.807 11.107 -4.254 29 1HB GLN 5 HB2 GLN 5 -12.326 11.693 -4.482 30 2HB GLN 5 HB1 GLN 5 -12.150 11.113 -6.131 31 1HG GLN 5 HG2 GLN 5 -12.844 9.209 -5.089 32 2HG GLN 5 HG1 GLN 5 -11.094 9.024 -4.962 33 1HE2 GLN 5 1HE2 GLN 5 -14.048 9.566 -3.268 34 2HE2 GLN 5 2HE2 GLN 5 -13.403 9.449 -1.670 35 H ALA 6 HN ALA 6 -8.785 9.477 -5.299 36 HA ALA 6 HA ALA 6 -7.752 10.047 -7.933 37 1HB ALA 6 HB1 ALA 6 -6.716 8.787 -5.751 38 2HB ALA 6 HB2 ALA 6 -6.063 8.677 -7.385 39 3HB ALA 6 HB3 ALA 6 -7.146 7.422 -6.782 40 H THR 7 HN THR 7 -7.946 8.684 -9.757 41 HA THR 7 HA THR 7 -10.454 7.152 -9.794 42 HB THR 7 HB THR 7 -9.021 7.946 -12.290 43 HG1 THR 7 HG1 THR 7 -9.339 9.983 -11.975 44 1HG2 THR 7 1HG2 THR 7 -11.952 8.088 -11.691 45 2HG2 THR 7 2HG2 THR 7 -11.168 6.611 -12.253 46 3HG2 THR 7 3HG2 THR 7 -11.147 8.060 -13.258 47 H TRP 8 HN TRP 8 -10.525 5.058 -10.425 48 HA TRP 8 HA TRP 8 -8.077 3.806 -11.431 49 1HB TRP 8 HB2 TRP 8 -9.635 2.909 -9.008 50 2HB TRP 8 HB1 TRP 8 -8.467 1.890 -9.842 51 HD1 TRP 8 HD1 TRP 8 -8.510 5.381 -8.140 52 HE1 TRP 8 HE1 TRP 8 -6.238 5.716 -6.987 53 HE3 TRP 8 HE3 TRP 8 -6.224 1.047 -9.585 54 HZ2 TRP 8 HZ2 TRP 8 -3.791 4.325 -6.723 55 HZ3 TRP 8 HZ3 TRP 8 -3.930 0.628 -8.844 56 HH2 TRP 8 HH2 TRP 8 -2.730 2.225 -7.441 57 H LYS 9 HN LYS 9 -8.401 1.737 -12.417 58 HA LYS 9 HA LYS 9 -11.132 0.921 -12.999 59 1HB LYS 9 HB2 LYS 9 -10.531 0.809 -15.478 60 2HB LYS 9 HB1 LYS 9 -10.881 2.398 -14.817 61 1HG LYS 9 HG2 LYS 9 -8.335 2.597 -14.505 62 2HG LYS 9 HG1 LYS 9 -8.245 1.236 -15.625 63 1HD LYS 9 HD2 LYS 9 -9.776 3.755 -16.230 64 2HD LYS 9 HD1 LYS 9 -8.079 3.539 -16.660 65 1HE LYS 9 HE2 LYS 9 -8.620 1.648 -18.045 66 2HE LYS 9 HE1 LYS 9 -10.298 1.683 -17.509 67 1HZ LYS 9 HZ1 LYS 9 -10.613 3.773 -18.607 68 2HZ LYS 9 HZ2 LYS 9 -9.955 2.682 -19.717 69 3HZ LYS 9 HZ3 LYS 9 -8.974 3.870 -19.018 70 H GLU 10 HN GLU 10 -8.881 -0.168 -11.532 71 HA GLU 10 HA GLU 10 -7.613 -2.171 -13.075 72 1HB GLU 10 HB2 GLU 10 -6.751 -3.006 -10.981 73 2HB GLU 10 HB1 GLU 10 -6.652 -1.254 -11.011 74 1HG GLU 10 HG2 GLU 10 -8.919 -1.354 -9.760 75 2HG GLU 10 HG1 GLU 10 -8.446 -3.013 -9.406 76 H LYS 11 HN LYS 11 -8.046 -4.250 -13.436 77 HA LYS 11 HA LYS 11 -10.718 -5.152 -13.305 78 1HB LYS 11 HB2 LYS 11 -9.783 -7.296 -14.151 79 2HB LYS 11 HB1 LYS 11 -9.248 -5.899 -15.069 80 1HG LYS 11 HG2 LYS 11 -7.098 -5.954 -14.060 81 2HG LYS 11 HG1 LYS 11 -7.611 -7.169 -12.890 82 1HD LYS 11 HD2 LYS 11 -8.168 -8.228 -15.440 83 2HD LYS 11 HD1 LYS 11 -6.555 -7.520 -15.537 84 1HE LYS 11 HE2 LYS 11 -6.646 -8.884 -13.089 85 2HE LYS 11 HE1 LYS 11 -7.413 -9.952 -14.262 86 1HZ LYS 11 HZ1 LYS 11 -5.404 -10.503 -14.966 87 2HZ LYS 11 HZ2 LYS 11 -4.676 -9.395 -13.916 88 3HZ LYS 11 HZ3 LYS 11 -5.136 -8.909 -15.470 89 H ASP 12 HN ASP 12 -10.339 -7.911 -12.568 90 HA ASP 12 HA ASP 12 -9.870 -7.677 -9.674 91 1HB ASP 12 HB2 ASP 12 -12.356 -7.892 -10.743 92 2HB ASP 12 HB1 ASP 12 -11.949 -9.591 -10.531 93 H GLY 13 HN GLY 13 -8.233 -8.773 -11.946 94 1HA GLY 13 HA2 GLY 13 -8.102 -11.591 -11.078 95 2HA GLY 13 HA1 GLY 13 -7.549 -11.002 -12.636 96 H ALA 14 HN ALA 14 -5.520 -11.977 -12.299 97 HA ALA 14 HA ALA 14 -3.878 -11.432 -10.056 98 1HB ALA 14 HB1 ALA 14 -2.093 -12.182 -11.921 99 2HB ALA 14 HB2 ALA 14 -3.578 -12.785 -12.655 100 3HB ALA 14 HB3 ALA 14 -3.118 -13.314 -11.036 101 H VAL 15 HN VAL 15 -1.445 -10.733 -10.887 102 HA VAL 15 HA VAL 15 -1.583 -7.892 -11.160 103 HB VAL 15 HB VAL 15 0.262 -8.987 -9.970 104 1HG1 VAL 15 1HG1 VAL 15 1.222 -10.793 -10.827 105 2HG1 VAL 15 2HG1 VAL 15 1.987 -9.764 -12.040 106 3HG1 VAL 15 3HG1 VAL 15 0.431 -10.522 -12.381 107 1HG2 VAL 15 1HG2 VAL 15 1.831 -7.764 -12.097 108 2HG2 VAL 15 2HG2 VAL 15 1.634 -7.295 -10.410 109 3HG2 VAL 15 3HG2 VAL 15 0.444 -6.799 -11.600 110 H GLU 16 HN GLU 16 -0.700 -6.629 -12.963 111 HA GLU 16 HA GLU 16 -0.538 -8.066 -15.493 112 1HB GLU 16 HB2 GLU 16 -2.367 -5.794 -14.795 113 2HB GLU 16 HB1 GLU 16 -1.752 -5.948 -16.436 114 1HG GLU 16 HG2 GLU 16 -2.630 -8.432 -16.123 115 2HG GLU 16 HG1 GLU 16 -3.693 -7.633 -14.966 116 H ALA 17 HN ALA 17 0.557 -6.845 -17.131 117 HA ALA 17 HA ALA 17 3.010 -6.067 -16.866 118 1HB ALA 17 HB1 ALA 17 1.130 -5.423 -18.786 119 2HB ALA 17 HB2 ALA 17 2.871 -5.164 -18.895 120 3HB ALA 17 HB3 ALA 17 1.821 -3.865 -18.333 121 H GLU 18 HN GLU 18 0.832 -3.229 -16.731 122 HA GLU 18 HA GLU 18 2.550 -2.183 -14.573 123 1HB GLU 18 HB2 GLU 18 1.039 -0.622 -16.673 124 2HB GLU 18 HB1 GLU 18 2.028 0.072 -15.395 125 1HG GLU 18 HG2 GLU 18 3.914 -1.384 -16.416 126 2HG GLU 18 HG1 GLU 18 2.869 -1.422 -17.836 127 H ASP 19 HN ASP 19 0.943 -3.518 -13.302 128 HA ASP 19 HA ASP 19 -1.607 -2.133 -12.916 129 1HB ASP 19 HB2 ASP 19 -2.497 -4.128 -12.360 130 2HB ASP 19 HB1 ASP 19 -1.115 -4.746 -13.231 131 H ARG 20 HN ARG 20 -2.298 -2.760 -10.374 132 HA ARG 20 HA ARG 20 -0.181 -1.756 -8.630 133 1HB ARG 20 HB2 ARG 20 -2.142 -0.062 -9.569 134 2HB ARG 20 HB1 ARG 20 -2.773 -0.567 -8.012 135 1HG ARG 20 HG2 ARG 20 -1.398 0.797 -6.958 136 2HG ARG 20 HG1 ARG 20 -0.009 0.080 -7.754 137 1HD ARG 20 HD2 ARG 20 -0.091 1.595 -9.529 138 2HD ARG 20 HD1 ARG 20 -1.729 2.104 -9.125 139 HE ARG 20 HE ARG 20 0.486 2.661 -7.281 140 1HH1 ARG 20 1HH1 ARG 20 -2.048 3.837 -9.389 141 2HH1 ARG 20 2HH1 ARG 20 -1.945 5.458 -8.796 142 1HH2 ARG 20 1HH2 ARG 20 0.613 4.787 -6.516 143 2HH2 ARG 20 2HH2 ARG 20 -0.438 5.999 -7.170 144 H VAL 21 HN VAL 21 -0.016 -3.103 -6.982 145 HA VAL 21 HA VAL 21 -2.264 -4.802 -6.213 146 HB VAL 21 HB VAL 21 -0.566 -5.980 -4.816 147 1HG1 VAL 21 1HG1 VAL 21 0.492 -5.802 -7.614 148 2HG1 VAL 21 2HG1 VAL 21 -1.108 -6.471 -7.296 149 3HG1 VAL 21 3HG1 VAL 21 0.320 -7.220 -6.574 150 1HG2 VAL 21 1HG2 VAL 21 1.285 -4.874 -4.290 151 2HG2 VAL 21 2HG2 VAL 21 0.979 -3.644 -5.513 152 3HG2 VAL 21 3HG2 VAL 21 1.829 -5.126 -5.948 153 H THR 22 HN THR 22 -2.571 -5.235 -3.845 154 HA THR 22 HA THR 22 -2.116 -2.802 -2.241 155 HB THR 22 HB THR 22 -4.503 -4.664 -2.136 156 HG1 THR 22 HG1 THR 22 -4.036 -2.236 -3.370 157 1HG2 THR 22 1HG2 THR 22 -4.786 -3.971 -0.055 158 2HG2 THR 22 2HG2 THR 22 -5.093 -2.364 -0.714 159 3HG2 THR 22 3HG2 THR 22 -3.467 -2.806 -0.185 160 H ILE 23 HN ILE 23 -0.614 -3.258 -0.753 161 HA ILE 23 HA ILE 23 -0.757 -5.884 0.571 162 HB ILE 23 HB ILE 23 1.674 -5.968 0.676 163 1HG1 ILE 23 2HG1 ILE 23 1.902 -3.418 0.462 164 2HG1 ILE 23 1HG1 ILE 23 3.129 -4.424 -0.288 165 1HG2 ILE 23 1HG2 ILE 23 1.473 -5.659 -2.200 166 2HG2 ILE 23 2HG2 ILE 23 0.101 -6.520 -1.510 167 3HG2 ILE 23 3HG2 ILE 23 1.741 -7.104 -1.227 168 1HD1 ILE 23 1HD1 ILE 23 2.313 -3.999 -2.438 169 2HD1 ILE 23 2HD1 ILE 23 2.283 -2.443 -1.615 170 3HD1 ILE 23 3HD1 ILE 23 0.794 -3.356 -1.833 171 H ASP 24 HN ASP 24 0.140 -6.011 2.669 172 HA ASP 24 HA ASP 24 0.414 -3.444 4.111 173 1HB ASP 24 HB2 ASP 24 -0.529 -4.620 6.103 174 2HB ASP 24 HB1 ASP 24 -1.688 -4.494 4.789 175 H PHE 25 HN PHE 25 2.415 -3.283 5.135 176 HA PHE 25 HA PHE 25 3.774 -5.788 5.810 177 1HB PHE 25 HB2 PHE 25 5.822 -5.154 4.723 178 2HB PHE 25 HB1 PHE 25 4.505 -5.117 3.555 179 HD1 PHE 25 HD1 PHE 25 4.225 -3.284 2.204 180 HD2 PHE 25 HD2 PHE 25 6.443 -2.877 5.816 181 HE1 PHE 25 HE1 PHE 25 4.810 -0.980 1.594 182 HE2 PHE 25 HE2 PHE 25 7.026 -0.561 5.198 183 HZ PHE 25 HZ PHE 25 6.197 0.381 3.075 184 H THR 26 HN THR 26 5.803 -5.470 7.008 185 HA THR 26 HA THR 26 5.964 -3.021 8.585 186 HB THR 26 HB THR 26 5.580 -5.749 9.831 187 HG1 THR 26 HG1 THR 26 3.878 -3.483 9.778 188 1HG2 THR 26 1HG2 THR 26 6.732 -4.811 11.508 189 2HG2 THR 26 2HG2 THR 26 5.190 -4.022 11.841 190 3HG2 THR 26 3HG2 THR 26 6.440 -3.168 10.938 191 H GLY 27 HN GLY 27 8.079 -2.481 8.432 192 1HA GLY 27 HA2 GLY 27 10.068 -4.444 9.209 193 2HA GLY 27 HA1 GLY 27 10.173 -3.923 7.544 194 H SER 28 HN SER 28 12.317 -3.562 8.976 195 HA SER 28 HA SER 28 12.330 -0.746 9.822 196 1HB SER 28 HB2 SER 28 14.777 -2.018 10.521 197 2HB SER 28 HB1 SER 28 13.499 -1.465 11.599 198 HG SER 28 HG SER 28 13.943 -3.701 11.840 199 H VAL 29 HN VAL 29 14.693 0.145 9.571 200 HA VAL 29 HA VAL 29 15.535 -0.359 6.821 201 HB VAL 29 HB VAL 29 14.674 1.808 6.756 202 1HG1 VAL 29 1HG1 VAL 29 15.222 1.874 9.517 203 2HG1 VAL 29 2HG1 VAL 29 14.320 3.040 8.553 204 3HG1 VAL 29 3HG1 VAL 29 16.053 3.250 8.794 205 1HG2 VAL 29 1HG2 VAL 29 17.184 3.062 7.201 206 2HG2 VAL 29 2HG2 VAL 29 16.432 2.597 5.674 207 3HG2 VAL 29 3HG2 VAL 29 17.477 1.461 6.522 208 H ASP 30 HN ASP 30 17.142 1.479 9.416 209 HA ASP 30 HA ASP 30 19.536 -0.111 8.919 210 1HB ASP 30 HB2 ASP 30 19.046 2.634 9.575 211 2HB ASP 30 HB1 ASP 30 20.029 1.922 10.850 212 H GLY 31 HN GLY 31 17.461 -1.437 10.222 213 1HA GLY 31 HA2 GLY 31 17.645 -3.048 11.950 214 2HA GLY 31 HA1 GLY 31 18.745 -1.971 12.802 215 H GLU 32 HN GLU 32 16.534 0.140 11.933 216 HA GLU 32 HA GLU 32 14.600 -0.508 14.042 217 1HB GLU 32 HB2 GLU 32 15.990 2.159 13.729 218 2HB GLU 32 HB1 GLU 32 14.700 1.806 14.870 219 1HG GLU 32 HG2 GLU 32 17.062 0.048 14.992 220 2HG GLU 32 HG1 GLU 32 17.300 1.721 15.495 221 H GLU 33 HN GLU 33 12.622 -0.401 13.266 222 HA GLU 33 HA GLU 33 11.945 0.442 10.720 223 1HB GLU 33 HB2 GLU 33 9.620 0.182 11.439 224 2HB GLU 33 HB1 GLU 33 10.612 -1.164 11.978 225 1HG GLU 33 HG2 GLU 33 9.756 -0.833 13.992 226 2HG GLU 33 HG1 GLU 33 10.747 0.624 14.074 227 H PHE 34 HN PHE 34 11.785 2.371 9.885 228 HA PHE 34 HA PHE 34 11.730 4.719 11.507 229 1HB PHE 34 HB2 PHE 34 12.138 5.881 9.411 230 2HB PHE 34 HB1 PHE 34 13.223 4.509 9.572 231 HD1 PHE 34 HD1 PHE 34 12.366 2.280 8.393 232 HD2 PHE 34 HD2 PHE 34 11.071 6.214 7.396 233 HE1 PHE 34 HE1 PHE 34 11.668 1.487 6.177 234 HE2 PHE 34 HE2 PHE 34 10.368 5.419 5.178 235 HZ PHE 34 HZ PHE 34 10.664 3.055 4.569 236 H GLU 35 HN GLU 35 10.324 5.930 9.045 237 HA GLU 35 HA GLU 35 7.785 6.301 10.264 238 1HB GLU 35 HB2 GLU 35 9.101 7.201 7.734 239 2HB GLU 35 HB1 GLU 35 7.362 7.383 7.899 240 1HG GLU 35 HG2 GLU 35 8.241 8.427 10.248 241 2HG GLU 35 HG1 GLU 35 9.544 8.875 9.148 242 H GLY 36 HN GLY 36 8.725 4.920 7.113 243 1HA GLY 36 HA2 GLY 36 6.136 3.726 6.723 244 2HA GLY 36 HA1 GLY 36 7.523 3.579 5.659 245 H GLY 37 HN GLY 37 8.211 2.796 8.909 246 1HA GLY 37 HA2 GLY 37 8.911 0.158 8.302 247 2HA GLY 37 HA1 GLY 37 8.710 0.808 9.919 248 H LYS 38 HN LYS 38 5.813 1.417 8.620 249 HA LYS 38 HA LYS 38 4.731 -1.271 8.831 250 1HB LYS 38 HB2 LYS 38 4.647 0.591 10.996 251 2HB LYS 38 HB1 LYS 38 3.012 0.373 10.390 252 1HG LYS 38 HG2 LYS 38 2.932 -1.831 10.988 253 2HG LYS 38 HG1 LYS 38 4.680 -2.039 10.863 254 1HD LYS 38 HD2 LYS 38 3.254 -0.489 13.024 255 2HD LYS 38 HD1 LYS 38 3.903 -2.123 13.194 256 1HE LYS 38 HE2 LYS 38 6.112 -0.963 12.347 257 2HE LYS 38 HE1 LYS 38 5.331 0.483 12.987 258 1HZ LYS 38 HZ1 LYS 38 6.675 -0.468 14.688 259 2HZ LYS 38 HZ2 LYS 38 5.987 -1.998 14.475 260 3HZ LYS 38 HZ3 LYS 38 5.059 -0.736 15.110 261 H ALA 39 HN ALA 39 3.338 -1.555 7.249 262 HA ALA 39 HA ALA 39 1.636 0.681 6.397 263 1HB ALA 39 HB1 ALA 39 3.476 -0.948 4.704 264 2HB ALA 39 HB2 ALA 39 3.113 0.776 4.638 265 3HB ALA 39 HB3 ALA 39 1.947 -0.396 4.021 266 H SER 40 HN SER 40 -0.420 0.115 5.751 267 HA SER 40 HA SER 40 -1.133 -2.716 6.139 268 1HB SER 40 HB2 SER 40 -2.070 -0.569 7.578 269 2HB SER 40 HB1 SER 40 -3.321 -0.765 6.352 270 HG SER 40 HG SER 40 -2.748 -2.317 8.512 271 H ASP 41 HN ASP 41 -2.368 0.206 4.492 272 HA ASP 41 HA ASP 41 -3.241 -1.474 2.283 273 1HB ASP 41 HB2 ASP 41 -4.059 1.349 3.033 274 2HB ASP 41 HB1 ASP 41 -4.654 0.452 1.639 275 H PHE 42 HN PHE 42 -0.861 -1.520 1.776 276 HA PHE 42 HA PHE 42 0.172 1.003 0.739 277 1HB PHE 42 HB2 PHE 42 1.684 -0.483 2.045 278 2HB PHE 42 HB1 PHE 42 1.513 -1.708 0.795 279 HD1 PHE 42 HD1 PHE 42 3.670 -1.892 -0.123 280 HD2 PHE 42 HD2 PHE 42 1.918 1.958 0.424 281 HE1 PHE 42 HE1 PHE 42 5.522 -0.861 -1.376 282 HE2 PHE 42 HE2 PHE 42 3.773 2.984 -0.820 283 HZ PHE 42 HZ PHE 42 5.578 1.575 -1.721 284 H VAL 43 HN VAL 43 -0.510 1.571 -1.227 285 HA VAL 43 HA VAL 43 -1.297 -0.441 -3.141 286 HB VAL 43 HB VAL 43 -2.559 1.696 -2.776 287 1HG1 VAL 43 1HG1 VAL 43 -1.751 3.747 -3.297 288 2HG1 VAL 43 2HG1 VAL 43 -0.712 3.133 -4.582 289 3HG1 VAL 43 3HG1 VAL 43 -0.220 2.970 -2.897 290 1HG2 VAL 43 1HG2 VAL 43 -3.451 1.260 -4.768 291 2HG2 VAL 43 2HG2 VAL 43 -2.045 0.257 -5.133 292 3HG2 VAL 43 3HG2 VAL 43 -2.058 1.961 -5.590 293 H LEU 44 HN LEU 44 0.456 -1.475 -3.936 294 HA LEU 44 HA LEU 44 2.750 0.057 -4.853 295 1HB LEU 44 HB2 LEU 44 2.368 -2.533 -3.839 296 2HB LEU 44 HB1 LEU 44 2.884 -2.739 -5.500 297 HG LEU 44 HG LEU 44 4.352 -1.290 -3.304 298 1HD1 LEU 44 1HD1 LEU 44 6.093 -2.991 -4.002 299 2HD1 LEU 44 2HD1 LEU 44 4.796 -3.823 -4.844 300 3HD1 LEU 44 3HD1 LEU 44 4.711 -3.593 -3.096 301 1HD2 LEU 44 1HD2 LEU 44 4.643 -0.017 -5.332 302 2HD2 LEU 44 2HD2 LEU 44 4.992 -1.485 -6.245 303 3HD2 LEU 44 3HD2 LEU 44 6.116 -0.929 -5.006 304 H ALA 45 HN ALA 45 3.259 0.444 -6.914 305 HA ALA 45 HA ALA 45 1.322 -0.382 -8.960 306 1HB ALA 45 HB1 ALA 45 3.449 1.742 -9.173 307 2HB ALA 45 HB2 ALA 45 1.790 2.042 -8.659 308 3HB ALA 45 HB3 ALA 45 2.113 1.450 -10.288 309 H MET 46 HN MET 46 1.910 -2.285 -9.813 310 HA MET 46 HA MET 46 4.589 -3.172 -10.072 311 1HB MET 46 HB2 MET 46 1.939 -4.195 -10.596 312 2HB MET 46 HB1 MET 46 3.055 -4.651 -11.873 313 1HG MET 46 HG2 MET 46 3.645 -5.070 -8.960 314 2HG MET 46 HG1 MET 46 2.817 -6.261 -9.954 315 1HE MET 46 HE1 MET 46 6.503 -7.259 -9.027 316 2HE MET 46 HE2 MET 46 5.228 -6.374 -8.191 317 3HE MET 46 HE3 MET 46 6.635 -5.514 -8.811 318 H GLY 47 HN GLY 47 5.627 -1.487 -11.163 319 1HA GLY 47 HA2 GLY 47 6.769 -1.053 -13.202 320 2HA GLY 47 HA1 GLY 47 5.393 -1.702 -14.079 321 H GLN 48 HN GLN 48 6.228 1.009 -11.928 322 HA GLN 48 HA GLN 48 4.675 2.762 -13.711 323 1HB GLN 48 HB2 GLN 48 3.465 2.367 -11.577 324 2HB GLN 48 HB1 GLN 48 4.845 3.018 -10.703 325 1HG GLN 48 HG2 GLN 48 4.349 5.025 -12.451 326 2HG GLN 48 HG1 GLN 48 2.724 4.395 -12.186 327 1HE2 GLN 48 1HE2 GLN 48 5.350 6.153 -10.868 328 2HE2 GLN 48 2HE2 GLN 48 4.617 6.553 -9.356 329 H GLY 49 HN GLY 49 6.905 3.046 -10.938 330 1HA GLY 49 HA2 GLY 49 8.313 5.176 -12.393 331 2HA GLY 49 HA1 GLY 49 8.416 4.873 -10.664 332 H ARG 50 HN ARG 50 9.137 2.404 -10.319 333 HA ARG 50 HA ARG 50 10.916 1.194 -12.074 334 1HB ARG 50 HB2 ARG 50 13.090 1.810 -11.167 335 2HB ARG 50 HB1 ARG 50 12.273 3.224 -11.813 336 1HG ARG 50 HG2 ARG 50 12.493 4.266 -9.874 337 2HG ARG 50 HG1 ARG 50 11.610 2.977 -9.055 338 1HD ARG 50 HD2 ARG 50 13.989 3.508 -8.255 339 2HD ARG 50 HD1 ARG 50 13.560 1.821 -8.517 340 HE ARG 50 HE ARG 50 15.181 3.455 -10.359 341 1HH1 ARG 50 1HH1 ARG 50 14.262 0.340 -9.050 342 2HH1 ARG 50 2HH1 ARG 50 15.475 -0.519 -9.932 343 1HH2 ARG 50 1HH2 ARG 50 16.768 2.310 -11.515 344 2HH2 ARG 50 2HH2 ARG 50 16.893 0.594 -11.328 345 H MET 51 HN MET 51 9.349 -0.246 -10.895 346 HA MET 51 HA MET 51 9.399 -0.921 -8.254 347 1HB MET 51 HB2 MET 51 8.090 -1.924 -10.298 348 2HB MET 51 HB1 MET 51 9.376 -3.124 -10.276 349 1HG MET 51 HG2 MET 51 8.052 -4.208 -8.850 350 2HG MET 51 HG1 MET 51 8.676 -3.068 -7.660 351 1HE MET 51 HE1 MET 51 5.848 -0.290 -7.842 352 2HE MET 51 HE2 MET 51 7.436 -0.412 -8.601 353 3HE MET 51 HE3 MET 51 7.242 -0.799 -6.892 354 H ILE 52 HN ILE 52 11.059 -1.290 -6.968 355 HA ILE 52 HA ILE 52 13.611 -2.140 -7.874 356 HB ILE 52 HB ILE 52 13.896 -2.589 -5.273 357 1HG1 ILE 52 2HG1 ILE 52 11.592 -0.626 -5.332 358 2HG1 ILE 52 1HG1 ILE 52 11.445 -2.308 -4.829 359 1HG2 ILE 52 1HG2 ILE 52 13.822 -0.021 -6.794 360 2HG2 ILE 52 2HG2 ILE 52 15.209 -0.944 -6.214 361 3HG2 ILE 52 3HG2 ILE 52 14.225 -0.025 -5.077 362 1HD1 ILE 52 1HD1 ILE 52 13.302 -0.347 -3.515 363 2HD1 ILE 52 2HD1 ILE 52 12.818 -1.942 -2.936 364 3HD1 ILE 52 3HD1 ILE 52 11.644 -0.628 -2.986 365 HA PRO 53 HA PRO 53 13.511 -6.534 -7.818 366 1HB PRO 53 HB2 PRO 53 15.639 -7.196 -6.188 367 2HB PRO 53 HB1 PRO 53 15.782 -6.731 -7.885 368 1HG PRO 53 HG2 PRO 53 16.169 -5.072 -5.427 369 2HG PRO 53 HG1 PRO 53 17.118 -5.096 -6.925 370 1HD PRO 53 HD2 PRO 53 15.337 -3.157 -6.435 371 2HD PRO 53 HD1 PRO 53 15.567 -3.804 -8.073 372 H GLY 54 HN GLY 54 13.480 -4.841 -4.791 373 1HA GLY 54 HA2 GLY 54 12.918 -7.086 -3.120 374 2HA GLY 54 HA1 GLY 54 12.707 -5.394 -2.705 375 H PHE 55 HN PHE 55 10.836 -4.415 -4.223 376 HA PHE 55 HA PHE 55 8.474 -5.681 -3.292 377 1HB PHE 55 HB2 PHE 55 9.024 -3.306 -5.063 378 2HB PHE 55 HB1 PHE 55 7.387 -3.895 -4.831 379 HD1 PHE 55 HD1 PHE 55 6.759 -4.231 -2.220 380 HD2 PHE 55 HD2 PHE 55 9.723 -1.584 -3.747 381 HE1 PHE 55 HE1 PHE 55 6.561 -2.858 -0.203 382 HE2 PHE 55 HE2 PHE 55 9.527 -0.200 -1.722 383 HZ PHE 55 HZ PHE 55 7.938 -0.836 0.048 384 H GLU 56 HN GLU 56 10.044 -5.333 -6.435 385 HA GLU 56 HA GLU 56 8.078 -6.544 -8.007 386 1HB GLU 56 HB2 GLU 56 10.089 -5.304 -8.851 387 2HB GLU 56 HB1 GLU 56 11.060 -6.715 -8.451 388 1HG GLU 56 HG2 GLU 56 10.188 -7.974 -10.155 389 2HG GLU 56 HG1 GLU 56 8.685 -7.056 -10.209 390 H ASP 57 HN ASP 57 10.130 -7.873 -5.641 391 HA ASP 57 HA ASP 57 10.205 -10.544 -6.683 392 1HB ASP 57 HB2 ASP 57 11.439 -9.087 -4.547 393 2HB ASP 57 HB1 ASP 57 10.705 -10.544 -3.887 394 H GLY 58 HN GLY 58 8.995 -9.575 -3.467 395 1HA GLY 58 HA2 GLY 58 7.165 -11.746 -3.406 396 2HA GLY 58 HA1 GLY 58 7.274 -10.447 -2.232 397 H ILE 59 HN ILE 59 6.624 -8.240 -3.612 398 HA ILE 59 HA ILE 59 3.809 -8.531 -3.963 399 HB ILE 59 HB ILE 59 5.537 -6.100 -4.480 400 1HG1 ILE 59 2HG1 ILE 59 4.726 -5.616 -2.036 401 2HG1 ILE 59 1HG1 ILE 59 4.612 -7.355 -1.925 402 1HG2 ILE 59 1HG2 ILE 59 2.670 -6.635 -4.387 403 2HG2 ILE 59 2HG2 ILE 59 3.552 -5.278 -5.087 404 3HG2 ILE 59 3HG2 ILE 59 3.169 -5.286 -3.367 405 1HD1 ILE 59 1HD1 ILE 59 7.119 -6.433 -3.043 406 2HD1 ILE 59 2HD1 ILE 59 6.818 -7.575 -1.743 407 3HD1 ILE 59 3HD1 ILE 59 6.831 -5.848 -1.414 408 H LYS 60 HN LYS 60 5.286 -9.951 -5.766 409 HA LYS 60 HA LYS 60 5.572 -8.910 -8.363 410 1HB LYS 60 HB2 LYS 60 4.879 -11.604 -7.287 411 2HB LYS 60 HB1 LYS 60 4.476 -11.308 -8.973 412 1HG LYS 60 HG2 LYS 60 6.678 -11.111 -9.606 413 2HG LYS 60 HG1 LYS 60 7.215 -10.670 -7.985 414 1HD LYS 60 HD2 LYS 60 7.730 -12.789 -7.563 415 2HD LYS 60 HD1 LYS 60 6.059 -13.267 -7.865 416 1HE LYS 60 HE2 LYS 60 6.938 -12.964 -10.396 417 2HE LYS 60 HE1 LYS 60 8.433 -13.457 -9.603 418 1HZ LYS 60 HZ1 LYS 60 6.541 -15.144 -10.510 419 2HZ LYS 60 HZ2 LYS 60 6.135 -15.038 -8.874 420 3HZ LYS 60 HZ3 LYS 60 7.688 -15.531 -9.326 421 H GLY 61 HN GLY 61 2.798 -10.373 -6.818 422 1HA GLY 61 HA2 GLY 61 0.623 -9.239 -6.767 423 2HA GLY 61 HA1 GLY 61 0.962 -8.705 -8.411 424 H HIS 62 HN HIS 62 1.480 -11.802 -6.881 425 HA HIS 62 HA HIS 62 -0.412 -13.021 -8.803 426 1HB HIS 62 HB2 HIS 62 1.060 -14.999 -8.899 427 2HB HIS 62 HB1 HIS 62 1.850 -13.545 -9.498 428 HD2 HIS 62 HD2 HIS 62 2.176 -13.198 -5.830 429 HE1 HIS 62 HE1 HIS 62 5.472 -15.614 -6.959 430 HE2 HIS 62 HE2 HIS 62 4.527 -14.070 -5.208 431 H LYS 63 HN LYS 63 0.314 -12.593 -5.546 432 HA LYS 63 HA LYS 63 -1.383 -14.895 -4.850 433 1HB LYS 63 HB2 LYS 63 1.079 -13.847 -3.497 434 2HB LYS 63 HB1 LYS 63 -0.149 -14.692 -2.566 435 1HG LYS 63 HG2 LYS 63 0.729 -16.051 -5.020 436 2HG LYS 63 HG1 LYS 63 1.942 -15.898 -3.748 437 1HD LYS 63 HD2 LYS 63 0.924 -17.407 -2.442 438 2HD LYS 63 HD1 LYS 63 -0.673 -16.720 -2.749 439 1HE LYS 63 HE2 LYS 63 0.832 -18.541 -4.624 440 2HE LYS 63 HE1 LYS 63 -0.472 -19.042 -3.547 441 1HZ LYS 63 HZ1 LYS 63 -0.615 -17.760 -6.101 442 2HZ LYS 63 HZ2 LYS 63 -1.521 -16.940 -4.931 443 3HZ LYS 63 HZ3 LYS 63 -1.819 -18.576 -5.236 444 H ALA 64 HN ALA 64 -3.199 -13.469 -5.055 445 HA ALA 64 HA ALA 64 -3.537 -11.081 -3.627 446 1HB ALA 64 HB1 ALA 64 -4.977 -11.998 -5.508 447 2HB ALA 64 HB2 ALA 64 -5.831 -11.245 -4.162 448 3HB ALA 64 HB3 ALA 64 -5.756 -13.002 -4.284 449 H GLY 65 HN GLY 65 -2.841 -11.266 -1.484 450 1HA GLY 65 HA2 GLY 65 -3.806 -11.412 0.731 451 2HA GLY 65 HA1 GLY 65 -4.611 -12.889 0.227 452 H GLU 66 HN GLU 66 -1.227 -12.044 -0.334 453 HA GLU 66 HA GLU 66 -0.445 -14.497 1.056 454 1HB GLU 66 HB2 GLU 66 0.328 -13.479 -1.346 455 2HB GLU 66 HB1 GLU 66 1.624 -12.910 -0.309 456 1HG GLU 66 HG2 GLU 66 1.427 -15.491 0.480 457 2HG GLU 66 HG1 GLU 66 0.999 -15.618 -1.227 458 H GLU 67 HN GLU 67 1.675 -14.446 2.193 459 HA GLU 67 HA GLU 67 2.208 -11.938 3.607 460 1HB GLU 67 HB2 GLU 67 2.443 -13.254 5.740 461 2HB GLU 67 HB1 GLU 67 0.795 -13.103 5.147 462 1HG GLU 67 HG2 GLU 67 0.563 -15.303 4.902 463 2HG GLU 67 HG1 GLU 67 2.153 -15.482 4.162 464 H PHE 68 HN PHE 68 4.187 -11.577 2.705 465 HA PHE 68 HA PHE 68 6.260 -13.626 3.196 466 1HB PHE 68 HB2 PHE 68 7.242 -12.991 0.967 467 2HB PHE 68 HB1 PHE 68 5.701 -13.848 0.877 468 HD1 PHE 68 HD1 PHE 68 3.760 -12.812 0.034 469 HD2 PHE 68 HD2 PHE 68 7.321 -10.569 0.603 470 HE1 PHE 68 HE1 PHE 68 2.769 -10.948 -1.211 471 HE2 PHE 68 HE2 PHE 68 6.340 -8.693 -0.650 472 HZ PHE 68 HZ PHE 68 4.056 -8.885 -1.564 473 H THR 69 HN THR 69 8.508 -12.703 2.931 474 HA THR 69 HA THR 69 8.596 -9.896 3.771 475 HB THR 69 HB THR 69 8.987 -11.654 5.576 476 HG1 THR 69 HG1 THR 69 11.128 -9.853 5.146 477 1HG2 THR 69 1HG2 THR 69 11.211 -12.577 5.778 478 2HG2 THR 69 2HG2 THR 69 11.651 -11.911 4.204 479 3HG2 THR 69 3HG2 THR 69 10.423 -13.173 4.317 480 H ILE 70 HN ILE 70 9.886 -8.594 2.563 481 HA ILE 70 HA ILE 70 12.113 -9.863 1.115 482 HB ILE 70 HB ILE 70 11.669 -8.659 -0.916 483 1HG1 ILE 70 2HG1 ILE 70 10.627 -6.655 0.141 484 2HG1 ILE 70 1HG1 ILE 70 9.746 -7.241 -1.262 485 1HG2 ILE 70 1HG2 ILE 70 9.726 -10.533 0.189 486 2HG2 ILE 70 2HG2 ILE 70 10.572 -10.548 -1.356 487 3HG2 ILE 70 3HG2 ILE 70 9.112 -9.581 -1.162 488 1HD1 ILE 70 1HD1 ILE 70 8.919 -7.016 1.520 489 2HD1 ILE 70 2HD1 ILE 70 8.499 -8.556 0.768 490 3HD1 ILE 70 3HD1 ILE 70 7.955 -7.042 0.041 491 H ASP 71 HN ASP 71 13.653 -8.205 0.239 492 HA ASP 71 HA ASP 71 14.009 -6.106 2.247 493 1HB ASP 71 HB2 ASP 71 15.851 -7.819 1.495 494 2HB ASP 71 HB1 ASP 71 16.008 -6.759 0.097 495 H VAL 72 HN VAL 72 14.368 -3.894 1.548 496 HA VAL 72 HA VAL 72 13.852 -3.345 -1.268 497 HB VAL 72 HB VAL 72 12.213 -1.478 -0.456 498 1HG1 VAL 72 1HG1 VAL 72 11.564 -3.189 -2.005 499 2HG1 VAL 72 2HG1 VAL 72 10.300 -3.023 -0.785 500 3HG1 VAL 72 3HG1 VAL 72 11.429 -4.376 -0.709 501 1HG2 VAL 72 1HG2 VAL 72 12.657 -2.814 1.975 502 2HG2 VAL 72 2HG2 VAL 72 11.016 -3.222 1.476 503 3HG2 VAL 72 3HG2 VAL 72 11.499 -1.534 1.637 504 H THR 73 HN THR 73 14.948 -1.576 -2.006 505 HA THR 73 HA THR 73 15.835 0.446 -0.133 506 HB THR 73 HB THR 73 17.697 -1.235 -1.826 507 HG1 THR 73 HG1 THR 73 18.215 -0.612 0.833 508 1HG2 THR 73 1HG2 THR 73 18.082 1.495 -0.731 509 2HG2 THR 73 2HG2 THR 73 18.707 0.766 -2.210 510 3HG2 THR 73 3HG2 THR 73 19.431 0.360 -0.654 511 H PHE 74 HN PHE 74 15.419 2.370 -1.074 512 HA PHE 74 HA PHE 74 14.729 2.397 -3.868 513 1HB PHE 74 HB2 PHE 74 14.528 4.415 -1.658 514 2HB PHE 74 HB1 PHE 74 14.126 4.803 -3.329 515 HD1 PHE 74 HD1 PHE 74 13.444 1.975 -0.969 516 HD2 PHE 74 HD2 PHE 74 11.903 4.756 -3.784 517 HE1 PHE 74 HE1 PHE 74 11.197 1.009 -0.686 518 HE2 PHE 74 HE2 PHE 74 9.650 3.810 -3.508 519 HZ PHE 74 HZ PHE 74 9.294 1.933 -1.956 520 HA PRO 75 HA PRO 75 18.763 3.743 -5.179 521 1HB PRO 75 HB2 PRO 75 18.092 4.414 -7.730 522 2HB PRO 75 HB1 PRO 75 18.314 2.743 -7.194 523 1HG PRO 75 HG2 PRO 75 15.777 4.300 -7.544 524 2HG PRO 75 HG1 PRO 75 16.139 2.629 -8.013 525 1HD PRO 75 HD2 PRO 75 14.743 3.225 -5.789 526 2HD PRO 75 HD1 PRO 75 15.837 1.826 -5.872 527 H GLU 76 HN GLU 76 19.669 5.667 -6.438 528 HA GLU 76 HA GLU 76 18.873 8.055 -5.111 529 1HB GLU 76 HB2 GLU 76 20.664 9.119 -6.425 530 2HB GLU 76 HB1 GLU 76 21.208 7.641 -5.642 531 1HG GLU 76 HG2 GLU 76 20.545 6.572 -7.953 532 2HG GLU 76 HG1 GLU 76 20.786 8.222 -8.525 533 H GLU 77 HN GLU 77 17.762 6.553 -7.937 534 HA GLU 77 HA GLU 77 17.029 9.007 -9.291 535 1HB GLU 77 HB2 GLU 77 15.939 7.468 -10.932 536 2HB GLU 77 HB1 GLU 77 17.659 7.185 -10.710 537 1HG GLU 77 HG2 GLU 77 16.558 5.484 -8.879 538 2HG GLU 77 HG1 GLU 77 15.380 5.440 -10.187 539 H TYR 78 HN TYR 78 15.519 6.553 -7.293 540 HA TYR 78 HA TYR 78 12.829 7.323 -7.765 541 1HB TYR 78 HB2 TYR 78 13.825 5.179 -6.621 542 2HB TYR 78 HB1 TYR 78 13.713 6.140 -5.153 543 HD1 TYR 78 HD1 TYR 78 11.995 3.985 -7.367 544 HD2 TYR 78 HD2 TYR 78 11.386 7.180 -4.617 545 HE1 TYR 78 HE1 TYR 78 9.628 3.358 -7.170 546 HE2 TYR 78 HE2 TYR 78 9.016 6.562 -4.418 547 HH TYR 78 HH TYR 78 7.725 3.673 -5.971 548 H HIS 79 HN HIS 79 14.670 7.720 -4.763 549 HA HIS 79 HA HIS 79 14.322 9.179 -3.030 550 1HB HIS 79 HB2 HIS 79 15.213 10.727 -5.421 551 2HB HIS 79 HB1 HIS 79 14.937 11.558 -3.893 552 HD2 HIS 79 HD2 HIS 79 16.445 8.052 -3.479 553 HE1 HIS 79 HE1 HIS 79 19.617 10.844 -3.092 554 HE2 HIS 79 HE2 HIS 79 18.928 8.430 -2.863 555 H ALA 80 HN ALA 80 11.952 8.735 -2.901 556 HA ALA 80 HA ALA 80 10.190 10.770 -3.970 557 1HB ALA 80 HB1 ALA 80 8.662 9.346 -2.218 558 2HB ALA 80 HB2 ALA 80 9.880 8.161 -2.686 559 3HB ALA 80 HB3 ALA 80 8.893 8.942 -3.919 560 H GLU 81 HN GLU 81 8.933 12.186 -2.694 561 HA GLU 81 HA GLU 81 10.286 13.608 -0.756 562 1HB GLU 81 HB2 GLU 81 7.341 13.432 -1.353 563 2HB GLU 81 HB1 GLU 81 8.013 14.579 -0.203 564 1HG GLU 81 HG2 GLU 81 9.236 15.695 -1.900 565 2HG GLU 81 HG1 GLU 81 8.886 14.426 -3.074 566 H ASN 82 HN ASN 82 8.264 10.779 -0.292 567 HA ASN 82 HA ASN 82 8.162 11.279 2.575 568 1HB ASN 82 HB2 ASN 82 6.691 9.250 2.618 569 2HB ASN 82 HB1 ASN 82 6.090 10.589 1.646 570 1HD2 ASN 82 1HD2 ASN 82 7.951 7.600 1.396 571 2HD2 ASN 82 2HD2 ASN 82 7.360 7.156 -0.165 572 H LEU 83 HN LEU 83 9.664 8.915 0.376 573 HA LEU 83 HA LEU 83 11.206 7.987 2.699 574 1HB LEU 83 HB2 LEU 83 10.875 5.735 2.294 575 2HB LEU 83 HB1 LEU 83 9.290 6.440 2.087 576 HG LEU 83 HG LEU 83 9.285 5.042 0.299 577 1HD1 LEU 83 1HD1 LEU 83 9.442 6.192 -1.664 578 2HD1 LEU 83 2HD1 LEU 83 10.947 6.989 -1.215 579 3HD1 LEU 83 3HD1 LEU 83 9.425 7.526 -0.518 580 1HD2 LEU 83 1HD2 LEU 83 12.183 5.415 -0.315 581 2HD2 LEU 83 2HD2 LEU 83 11.115 4.085 -0.723 582 3HD2 LEU 83 3HD2 LEU 83 11.639 4.300 0.938 583 H LYS 84 HN LYS 84 11.704 9.650 0.175 584 HA LYS 84 HA LYS 84 13.246 8.676 -1.736 585 1HB LYS 84 HB2 LYS 84 14.817 10.652 -1.426 586 2HB LYS 84 HB1 LYS 84 13.109 11.014 -1.608 587 1HG LYS 84 HG2 LYS 84 12.913 11.273 0.821 588 2HG LYS 84 HG1 LYS 84 14.639 10.939 0.983 589 1HD LYS 84 HD2 LYS 84 14.800 13.192 0.894 590 2HD LYS 84 HD1 LYS 84 14.714 12.911 -0.847 591 1HE LYS 84 HE2 LYS 84 12.100 13.082 0.442 592 2HE LYS 84 HE1 LYS 84 13.055 14.555 0.592 593 1HZ LYS 84 HZ1 LYS 84 13.421 14.326 -1.892 594 2HZ LYS 84 HZ2 LYS 84 11.875 14.792 -1.391 595 3HZ LYS 84 HZ3 LYS 84 12.161 13.198 -1.877 596 H GLY 85 HN GLY 85 14.915 7.388 -2.034 597 1HA GLY 85 HA2 GLY 85 16.705 6.015 -1.602 598 2HA GLY 85 HA1 GLY 85 17.360 7.420 -0.782 599 H LYS 86 HN LYS 86 14.706 5.150 -0.012 600 HA LYS 86 HA LYS 86 15.832 4.943 2.681 601 1HB LYS 86 HB2 LYS 86 13.304 5.425 2.020 602 2HB LYS 86 HB1 LYS 86 13.237 3.670 2.028 603 1HG LYS 86 HG2 LYS 86 12.573 4.479 4.169 604 2HG LYS 86 HG1 LYS 86 14.146 3.700 4.330 605 1HD LYS 86 HD2 LYS 86 14.245 5.702 5.598 606 2HD LYS 86 HD1 LYS 86 15.169 5.997 4.127 607 1HE LYS 86 HE2 LYS 86 13.849 7.698 3.573 608 2HE LYS 86 HE1 LYS 86 12.410 6.691 3.723 609 1HZ LYS 86 HZ1 LYS 86 13.010 7.139 6.288 610 2HZ LYS 86 HZ2 LYS 86 11.942 8.095 5.392 611 3HZ LYS 86 HZ3 LYS 86 13.547 8.585 5.595 612 H ALA 87 HN ALA 87 17.487 3.469 2.413 613 HA ALA 87 HA ALA 87 17.026 0.893 1.200 614 1HB ALA 87 HB1 ALA 87 19.245 1.507 0.978 615 2HB ALA 87 HB2 ALA 87 19.320 0.467 2.400 616 3HB ALA 87 HB3 ALA 87 19.314 2.220 2.588 617 H ALA 88 HN ALA 88 15.421 -0.208 2.327 618 HA ALA 88 HA ALA 88 16.081 -0.842 5.115 619 1HB ALA 88 HB1 ALA 88 14.058 -0.192 5.967 620 2HB ALA 88 HB2 ALA 88 13.219 -0.433 4.431 621 3HB ALA 88 HB3 ALA 88 14.241 0.986 4.665 622 H LYS 89 HN LYS 89 14.137 -2.337 5.878 623 HA LYS 89 HA LYS 89 13.919 -4.610 4.017 624 1HB LYS 89 HB2 LYS 89 15.576 -5.255 5.633 625 2HB LYS 89 HB1 LYS 89 14.609 -4.632 6.962 626 1HG LYS 89 HG2 LYS 89 12.982 -6.532 5.743 627 2HG LYS 89 HG1 LYS 89 14.596 -7.242 5.733 628 1HD LYS 89 HD2 LYS 89 13.327 -7.808 7.770 629 2HD LYS 89 HD1 LYS 89 14.799 -6.902 8.122 630 1HE LYS 89 HE2 LYS 89 13.602 -5.374 9.201 631 2HE LYS 89 HE1 LYS 89 12.702 -5.032 7.724 632 1HZ LYS 89 HZ1 LYS 89 11.925 -7.399 9.251 633 2HZ LYS 89 HZ2 LYS 89 10.967 -6.316 8.373 634 3HZ LYS 89 HZ3 LYS 89 11.531 -5.891 9.910 635 H PHE 90 HN PHE 90 11.880 -5.611 4.013 636 HA PHE 90 HA PHE 90 9.895 -4.617 5.931 637 1HB PHE 90 HB2 PHE 90 9.354 -4.814 2.970 638 2HB PHE 90 HB1 PHE 90 8.200 -4.358 4.209 639 HD1 PHE 90 HD1 PHE 90 8.471 -2.827 1.862 640 HD2 PHE 90 HD2 PHE 90 10.730 -2.604 5.439 641 HE1 PHE 90 HE1 PHE 90 8.945 -0.438 1.415 642 HE2 PHE 90 HE2 PHE 90 11.222 -0.234 5.010 643 HZ PHE 90 HZ PHE 90 10.322 0.855 2.992 644 H ALA 91 HN ALA 91 8.021 -5.985 6.166 645 HA ALA 91 HA ALA 91 8.261 -8.639 4.954 646 1HB ALA 91 HB1 ALA 91 6.908 -8.398 7.578 647 2HB ALA 91 HB2 ALA 91 8.663 -8.232 7.603 648 3HB ALA 91 HB3 ALA 91 7.924 -9.697 6.953 649 H ILE 92 HN ILE 92 6.762 -8.438 3.426 650 HA ILE 92 HA ILE 92 4.357 -6.894 3.967 651 HB ILE 92 HB ILE 92 5.311 -7.975 1.330 652 1HG1 ILE 92 2HG1 ILE 92 6.101 -5.493 2.831 653 2HG1 ILE 92 1HG1 ILE 92 7.107 -6.642 1.987 654 1HG2 ILE 92 1HG2 ILE 92 3.309 -5.883 2.106 655 2HG2 ILE 92 2HG2 ILE 92 3.061 -7.356 1.165 656 3HG2 ILE 92 3HG2 ILE 92 3.976 -6.015 0.479 657 1HD1 ILE 92 1HD1 ILE 92 5.628 -5.659 -0.047 658 2HD1 ILE 92 2HD1 ILE 92 7.209 -5.043 0.434 659 3HD1 ILE 92 3HD1 ILE 92 5.740 -4.254 1.010 660 H ASN 93 HN ASN 93 2.352 -7.462 3.002 661 HA ASN 93 HA ASN 93 1.800 -10.317 2.717 662 1HB ASN 93 HB2 ASN 93 0.329 -8.384 4.515 663 2HB ASN 93 HB1 ASN 93 -0.356 -9.921 4.002 664 1HD2 ASN 93 1HD2 ASN 93 -0.363 -9.974 6.469 665 2HD2 ASN 93 2HD2 ASN 93 1.002 -10.733 7.208 666 H LEU 94 HN LEU 94 1.250 -10.354 0.597 667 HA LEU 94 HA LEU 94 0.091 -8.200 -0.791 668 1HB LEU 94 HB2 LEU 94 1.419 -10.140 -1.736 669 2HB LEU 94 HB1 LEU 94 -0.063 -11.070 -1.652 670 HG LEU 94 HG LEU 94 -1.118 -9.298 -3.123 671 1HD1 LEU 94 1HD1 LEU 94 0.071 -7.418 -3.333 672 2HD1 LEU 94 2HD1 LEU 94 1.042 -8.318 -4.498 673 3HD1 LEU 94 3HD1 LEU 94 1.566 -8.200 -2.819 674 1HD2 LEU 94 1HD2 LEU 94 0.406 -11.543 -3.742 675 2HD2 LEU 94 2HD2 LEU 94 0.963 -10.297 -4.859 676 3HD2 LEU 94 3HD2 LEU 94 -0.748 -10.720 -4.791 677 H LYS 95 HN LYS 95 -1.978 -8.058 -1.836 678 HA LYS 95 HA LYS 95 -4.104 -9.747 -0.846 679 1HB LYS 95 HB2 LYS 95 -3.827 -6.872 -0.037 680 2HB LYS 95 HB1 LYS 95 -5.420 -7.599 -0.193 681 1HG LYS 95 HG2 LYS 95 -4.304 -9.453 1.340 682 2HG LYS 95 HG1 LYS 95 -3.299 -8.081 1.814 683 1HD LYS 95 HD2 LYS 95 -5.206 -6.824 2.499 684 2HD LYS 95 HD1 LYS 95 -6.310 -8.004 1.791 685 1HE LYS 95 HE2 LYS 95 -6.387 -8.523 4.048 686 2HE LYS 95 HE1 LYS 95 -5.199 -9.669 3.426 687 1HZ LYS 95 HZ1 LYS 95 -4.416 -8.663 5.457 688 2HZ LYS 95 HZ2 LYS 95 -4.603 -7.111 4.811 689 3HZ LYS 95 HZ3 LYS 95 -3.442 -8.160 4.168 690 H LYS 96 HN LYS 96 -5.063 -6.604 -1.818 691 HA LYS 96 HA LYS 96 -6.337 -7.667 -4.134 692 1HB LYS 96 HB2 LYS 96 -6.600 -5.357 -2.516 693 2HB LYS 96 HB1 LYS 96 -6.384 -4.809 -4.172 694 1HG LYS 96 HG2 LYS 96 -8.569 -5.130 -4.408 695 2HG LYS 96 HG1 LYS 96 -8.200 -6.855 -4.436 696 1HD LYS 96 HD2 LYS 96 -8.470 -5.587 -1.774 697 2HD LYS 96 HD1 LYS 96 -9.946 -5.758 -2.724 698 1HE LYS 96 HE2 LYS 96 -8.317 -8.166 -2.754 699 2HE LYS 96 HE1 LYS 96 -8.790 -7.693 -1.123 700 1HZ LYS 96 HZ1 LYS 96 -11.082 -7.702 -1.779 701 2HZ LYS 96 HZ2 LYS 96 -10.396 -9.188 -2.210 702 3HZ LYS 96 HZ3 LYS 96 -10.678 -8.012 -3.393 703 H VAL 97 HN VAL 97 -5.092 -8.240 -5.816 704 HA VAL 97 HA VAL 97 -3.191 -6.276 -6.890 705 HB VAL 97 HB VAL 97 -1.990 -8.249 -6.409 706 1HG1 VAL 97 1HG1 VAL 97 -3.161 -10.103 -5.987 707 2HG1 VAL 97 2HG1 VAL 97 -3.101 -10.408 -7.722 708 3HG1 VAL 97 3HG1 VAL 97 -4.494 -9.589 -7.023 709 1HG2 VAL 97 1HG2 VAL 97 -2.360 -7.466 -9.090 710 2HG2 VAL 97 2HG2 VAL 97 -2.279 -9.226 -9.086 711 3HG2 VAL 97 3HG2 VAL 97 -0.968 -8.282 -8.383 712 H GLU 98 HN GLU 98 -4.255 -5.100 -8.398 713 HA GLU 98 HA GLU 98 -5.707 -6.576 -10.487 714 1HB GLU 98 HB2 GLU 98 -6.626 -3.967 -9.279 715 2HB GLU 98 HB1 GLU 98 -7.444 -4.880 -10.540 716 1HG GLU 98 HG2 GLU 98 -8.269 -6.419 -9.084 717 2HG GLU 98 HG1 GLU 98 -6.913 -6.259 -7.971 718 H GLU 99 HN GLU 99 -6.095 -5.150 -12.474 719 HA GLU 99 HA GLU 99 -3.577 -3.847 -13.125 720 1HB GLU 99 HB2 GLU 99 -4.456 -5.583 -14.632 721 2HB GLU 99 HB1 GLU 99 -5.858 -4.569 -14.951 722 1HG GLU 99 HG2 GLU 99 -3.656 -2.936 -15.452 723 2HG GLU 99 HG1 GLU 99 -3.233 -4.502 -16.135 724 H ARG 100 HN ARG 100 -3.692 -1.842 -12.185 725 HA ARG 100 HA ARG 100 -5.889 -0.065 -12.507 726 1HB ARG 100 HB2 ARG 100 -4.471 1.605 -11.535 727 2HB ARG 100 HB1 ARG 100 -4.161 0.088 -10.698 728 1HG ARG 100 HG2 ARG 100 -1.999 0.319 -11.139 729 2HG ARG 100 HG1 ARG 100 -2.358 0.196 -12.859 730 1HD ARG 100 HD2 ARG 100 -3.009 2.755 -12.485 731 2HD ARG 100 HD1 ARG 100 -1.824 2.587 -11.194 732 HE ARG 100 HE ARG 100 -1.297 2.158 -14.059 733 1HH1 ARG 100 1HH1 ARG 100 -0.160 2.876 -10.835 734 2HH1 ARG 100 2HH1 ARG 100 1.476 3.123 -11.334 735 1HH2 ARG 100 1HH2 ARG 100 0.858 2.501 -14.712 736 2HH2 ARG 100 2HH2 ARG 100 2.052 2.920 -13.529 737 H GLU 101 HN GLU 101 -5.584 2.113 -13.535 738 HA GLU 101 HA GLU 101 -3.801 2.387 -15.733 739 1HB GLU 101 HB2 GLU 101 -5.616 0.748 -16.550 740 2HB GLU 101 HB1 GLU 101 -6.683 2.146 -16.555 741 1HG GLU 101 HG2 GLU 101 -5.352 3.259 -18.177 742 2HG GLU 101 HG1 GLU 101 -4.068 2.060 -18.032 743 H LEU 102 HN LEU 102 -3.308 4.430 -15.233 744 HA LEU 102 HA LEU 102 -5.217 6.303 -14.260 745 1HB LEU 102 HB2 LEU 102 -2.465 6.876 -15.329 746 2HB LEU 102 HB1 LEU 102 -3.398 7.862 -14.217 747 HG LEU 102 HG LEU 102 -2.824 5.106 -13.330 748 1HD1 LEU 102 1HD1 LEU 102 -0.715 6.889 -14.215 749 2HD1 LEU 102 2HD1 LEU 102 -0.635 5.197 -13.719 750 3HD1 LEU 102 3HD1 LEU 102 -0.567 6.475 -12.506 751 1HD2 LEU 102 1HD2 LEU 102 -3.096 7.827 -12.151 752 2HD2 LEU 102 2HD2 LEU 102 -2.223 6.581 -11.258 753 3HD2 LEU 102 3HD2 LEU 102 -3.906 6.322 -11.717 754 HA PRO 103 HA PRO 103 -6.922 8.096 -17.907 755 1HB PRO 103 HB2 PRO 103 -6.176 10.745 -16.776 756 2HB PRO 103 HB1 PRO 103 -7.748 10.159 -17.323 757 1HG PRO 103 HG2 PRO 103 -7.208 10.392 -14.724 758 2HG PRO 103 HG1 PRO 103 -8.170 9.035 -15.341 759 1HD PRO 103 HD2 PRO 103 -5.320 9.094 -14.451 760 2HD PRO 103 HD1 PRO 103 -6.540 7.818 -14.260 761 H GLU 104 HN GLU 104 -6.086 8.399 -19.883 762 HA GLU 104 HA GLU 104 -3.306 9.294 -20.094 763 1HB GLU 104 HB2 GLU 104 -5.132 7.737 -21.901 764 2HB GLU 104 HB1 GLU 104 -3.689 8.508 -22.543 765 1HG GLU 104 HG2 GLU 104 -3.532 6.680 -20.181 766 2HG GLU 104 HG1 GLU 104 -3.565 6.048 -21.827 767 H LEU 105 HN LEU 105 -6.161 9.676 -22.197 768 HA LEU 105 HA LEU 105 -5.225 12.305 -22.992 769 1HB LEU 105 HB2 LEU 105 -6.447 10.375 -24.387 770 2HB LEU 105 HB1 LEU 105 -7.864 11.278 -23.884 771 HG LEU 105 HG LEU 105 -5.529 12.422 -25.421 772 1HD1 LEU 105 1HD1 LEU 105 -7.103 12.531 -27.295 773 2HD1 LEU 105 2HD1 LEU 105 -8.311 11.691 -26.324 774 3HD1 LEU 105 3HD1 LEU 105 -6.818 10.871 -26.776 775 1HD2 LEU 105 1HD2 LEU 105 -8.041 13.598 -24.301 776 2HD2 LEU 105 2HD2 LEU 105 -7.319 14.267 -25.765 777 3HD2 LEU 105 3HD2 LEU 105 -6.394 14.229 -24.264 778 H THR 106 HN THR 106 -5.633 13.952 -21.672 779 HA THR 106 HA THR 106 -7.924 13.956 -19.917 780 HB THR 106 HB THR 106 -5.885 16.135 -20.412 781 HG1 THR 106 HG1 THR 106 -4.645 14.678 -19.521 782 1HG2 THR 106 1HG2 THR 106 -8.171 15.942 -18.626 783 2HG2 THR 106 2HG2 THR 106 -7.203 17.342 -19.092 784 3HG2 THR 106 3HG2 THR 106 -6.654 16.283 -17.792 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -25.009 12.641 -1.914 2 2H GLY 1 HT2 GLY 1 -24.110 12.664 -0.481 3 3H GLY 1 HT3 GLY 1 -25.799 12.609 -0.418 4 1HA GLY 1 HA1 GLY 1 -25.618 10.418 -0.220 5 2HA GLY 1 HA2 GLY 1 -25.200 10.439 -1.925 6 H SER 2 HN SER 2 -23.644 8.948 -2.126 7 HA SER 2 HA SER 2 -21.594 8.639 -0.111 8 1HB SER 2 HB2 SER 2 -20.723 6.928 -1.856 9 2HB SER 2 HB1 SER 2 -22.242 6.581 -1.028 10 HG SER 2 HG SER 2 -21.762 7.074 -3.678 11 H HIS 3 HN HIS 3 -19.381 8.984 -0.403 12 HA HIS 3 HA HIS 3 -18.534 10.409 -2.812 13 1HB HIS 3 HB2 HIS 3 -17.343 12.095 -1.358 14 2HB HIS 3 HB1 HIS 3 -19.098 12.234 -1.383 15 HD2 HIS 3 HD2 HIS 3 -19.719 13.028 1.132 16 HE1 HIS 3 HE1 HIS 3 -17.295 10.252 3.239 17 HE2 HIS 3 HE2 HIS 3 -18.936 12.155 3.438 18 H MET 4 HN MET 4 -16.391 10.153 -3.333 19 HA MET 4 HA MET 4 -14.726 8.585 -1.489 20 1HB MET 4 HB2 MET 4 -13.884 7.342 -3.549 21 2HB MET 4 HB1 MET 4 -15.489 6.916 -2.970 22 1HG MET 4 HG2 MET 4 -16.495 7.638 -4.835 23 2HG MET 4 HG1 MET 4 -15.445 9.048 -4.977 24 1HE MET 4 HE1 MET 4 -15.924 5.447 -5.210 25 2HE MET 4 HE2 MET 4 -14.469 4.790 -5.957 26 3HE MET 4 HE3 MET 4 -15.812 5.327 -6.967 27 H GLN 5 HN GLN 5 -12.421 8.702 -1.959 28 HA GLN 5 HA GLN 5 -11.713 11.340 -3.001 29 1HB GLN 5 HB2 GLN 5 -10.135 9.354 -1.357 30 2HB GLN 5 HB1 GLN 5 -9.522 10.912 -1.893 31 1HG GLN 5 HG2 GLN 5 -10.720 12.067 -0.365 32 2HG GLN 5 HG1 GLN 5 -12.074 10.940 -0.409 33 1HE2 GLN 5 1HE2 GLN 5 -10.532 12.154 1.829 34 2HE2 GLN 5 2HE2 GLN 5 -10.019 10.816 2.794 35 H ALA 6 HN ALA 6 -9.987 8.227 -3.004 36 HA ALA 6 HA ALA 6 -8.832 8.840 -5.585 37 1HB ALA 6 HB1 ALA 6 -7.213 7.796 -4.398 38 2HB ALA 6 HB2 ALA 6 -7.952 6.357 -5.100 39 3HB ALA 6 HB3 ALA 6 -8.362 6.847 -3.455 40 H THR 7 HN THR 7 -8.972 7.446 -7.425 41 HA THR 7 HA THR 7 -11.373 5.744 -7.488 42 HB THR 7 HB THR 7 -11.903 7.860 -8.584 43 HG1 THR 7 HG1 THR 7 -12.263 6.930 -10.760 44 1HG2 THR 7 1HG2 THR 7 -10.179 7.526 -10.892 45 2HG2 THR 7 2HG2 THR 7 -9.292 7.918 -9.420 46 3HG2 THR 7 3HG2 THR 7 -10.586 8.978 -9.979 47 H TRP 8 HN TRP 8 -11.323 3.999 -8.956 48 HA TRP 8 HA TRP 8 -8.793 3.448 -10.298 49 1HB TRP 8 HB2 TRP 8 -10.042 1.641 -8.226 50 2HB TRP 8 HB1 TRP 8 -8.765 1.138 -9.328 51 HD1 TRP 8 HD1 TRP 8 -9.324 3.811 -6.576 52 HE1 TRP 8 HE1 TRP 8 -7.069 4.219 -5.409 53 HE3 TRP 8 HE3 TRP 8 -6.379 0.786 -9.443 54 HZ2 TRP 8 HZ2 TRP 8 -4.376 3.360 -5.673 55 HZ3 TRP 8 HZ3 TRP 8 -3.992 0.636 -8.931 56 HH2 TRP 8 HH2 TRP 8 -2.997 1.881 -7.087 57 H LYS 9 HN LYS 9 -8.930 1.438 -11.623 58 HA LYS 9 HA LYS 9 -11.624 0.703 -12.485 59 1HB LYS 9 HB2 LYS 9 -9.633 1.326 -14.627 60 2HB LYS 9 HB1 LYS 9 -11.386 1.300 -14.713 61 1HG LYS 9 HG2 LYS 9 -10.239 3.374 -12.972 62 2HG LYS 9 HG1 LYS 9 -9.897 3.538 -14.692 63 1HD LYS 9 HD2 LYS 9 -12.675 2.854 -14.174 64 2HD LYS 9 HD1 LYS 9 -12.195 4.363 -13.393 65 1HE LYS 9 HE2 LYS 9 -11.557 5.338 -15.445 66 2HE LYS 9 HE1 LYS 9 -11.589 3.786 -16.280 67 1HZ LYS 9 HZ1 LYS 9 -14.038 3.763 -15.809 68 2HZ LYS 9 HZ2 LYS 9 -13.528 4.940 -16.910 69 3HZ LYS 9 HZ3 LYS 9 -13.897 5.375 -15.318 70 H GLU 10 HN GLU 10 -9.038 -0.406 -11.220 71 HA GLU 10 HA GLU 10 -7.948 -2.270 -13.003 72 1HB GLU 10 HB2 GLU 10 -7.005 -3.343 -11.001 73 2HB GLU 10 HB1 GLU 10 -6.748 -1.609 -11.023 74 1HG GLU 10 HG2 GLU 10 -8.850 -1.470 -9.566 75 2HG GLU 10 HG1 GLU 10 -8.618 -3.200 -9.313 76 H LYS 11 HN LYS 11 -8.319 -4.372 -13.426 77 HA LYS 11 HA LYS 11 -10.968 -5.339 -13.203 78 1HB LYS 11 HB2 LYS 11 -8.499 -6.951 -13.871 79 2HB LYS 11 HB1 LYS 11 -10.158 -7.308 -14.330 80 1HG LYS 11 HG2 LYS 11 -10.206 -5.359 -15.774 81 2HG LYS 11 HG1 LYS 11 -8.564 -4.938 -15.283 82 1HD LYS 11 HD2 LYS 11 -7.932 -6.109 -17.088 83 2HD LYS 11 HD1 LYS 11 -8.263 -7.529 -16.092 84 1HE LYS 11 HE2 LYS 11 -10.529 -7.641 -16.984 85 2HE LYS 11 HE1 LYS 11 -10.232 -6.195 -17.948 86 1HZ LYS 11 HZ1 LYS 11 -9.513 -8.916 -18.480 87 2HZ LYS 11 HZ2 LYS 11 -8.200 -7.865 -18.641 88 3HZ LYS 11 HZ3 LYS 11 -9.608 -7.599 -19.538 89 H ASP 12 HN ASP 12 -10.184 -8.174 -12.630 90 HA ASP 12 HA ASP 12 -9.674 -7.987 -9.750 91 1HB ASP 12 HB2 ASP 12 -12.039 -9.177 -11.127 92 2HB ASP 12 HB1 ASP 12 -11.446 -9.950 -9.662 93 H GLY 13 HN GLY 13 -8.192 -8.924 -12.247 94 1HA GLY 13 HA2 GLY 13 -7.798 -11.746 -11.552 95 2HA GLY 13 HA1 GLY 13 -7.238 -10.960 -13.020 96 H ALA 14 HN ALA 14 -5.204 -12.029 -12.539 97 HA ALA 14 HA ALA 14 -3.693 -11.408 -10.219 98 1HB ALA 14 HB1 ALA 14 -3.062 -13.381 -11.262 99 2HB ALA 14 HB2 ALA 14 -1.770 -12.272 -11.716 100 3HB ALA 14 HB3 ALA 14 -3.052 -12.650 -12.865 101 H VAL 15 HN VAL 15 -1.219 -10.678 -10.995 102 HA VAL 15 HA VAL 15 -1.440 -7.842 -11.340 103 HB VAL 15 HB VAL 15 0.386 -8.852 -10.024 104 1HG1 VAL 15 1HG1 VAL 15 0.863 -10.810 -11.345 105 2HG1 VAL 15 2HG1 VAL 15 2.321 -9.825 -11.228 106 3HG1 VAL 15 3HG1 VAL 15 1.364 -9.810 -12.708 107 1HG2 VAL 15 1HG2 VAL 15 1.129 -7.121 -12.364 108 2HG2 VAL 15 2HG2 VAL 15 2.244 -7.491 -11.055 109 3HG2 VAL 15 3HG2 VAL 15 0.747 -6.624 -10.717 110 H GLU 16 HN GLU 16 -0.595 -6.577 -13.127 111 HA GLU 16 HA GLU 16 -0.105 -8.064 -15.584 112 1HB GLU 16 HB2 GLU 16 -2.365 -6.222 -15.106 113 2HB GLU 16 HB1 GLU 16 -1.488 -5.971 -16.604 114 1HG GLU 16 HG2 GLU 16 -2.622 -7.624 -17.521 115 2HG GLU 16 HG1 GLU 16 -1.920 -8.742 -16.350 116 H ALA 17 HN ALA 17 0.822 -6.683 -17.253 117 HA ALA 17 HA ALA 17 3.194 -5.722 -16.960 118 1HB ALA 17 HB1 ALA 17 2.757 -3.796 -18.562 119 2HB ALA 17 HB2 ALA 17 1.060 -4.278 -18.500 120 3HB ALA 17 HB3 ALA 17 2.278 -5.408 -19.094 121 H GLU 18 HN GLU 18 0.828 -3.046 -16.739 122 HA GLU 18 HA GLU 18 2.492 -1.952 -14.563 123 1HB GLU 18 HB2 GLU 18 0.880 -0.423 -16.607 124 2HB GLU 18 HB1 GLU 18 1.872 0.283 -15.338 125 1HG GLU 18 HG2 GLU 18 3.817 -0.985 -16.400 126 2HG GLU 18 HG1 GLU 18 2.746 -1.210 -17.783 127 H ASP 19 HN ASP 19 0.987 -3.350 -13.254 128 HA ASP 19 HA ASP 19 -1.657 -2.164 -12.828 129 1HB ASP 19 HB2 ASP 19 -0.349 -4.732 -11.955 130 2HB ASP 19 HB1 ASP 19 -1.902 -4.207 -11.323 131 H ARG 20 HN ARG 20 -2.213 -2.747 -10.279 132 HA ARG 20 HA ARG 20 -0.142 -1.695 -8.546 133 1HB ARG 20 HB2 ARG 20 -2.786 -0.345 -9.009 134 2HB ARG 20 HB1 ARG 20 -1.873 -0.098 -7.529 135 1HG ARG 20 HG2 ARG 20 0.041 0.430 -9.330 136 2HG ARG 20 HG1 ARG 20 -1.366 0.896 -10.260 137 1HD ARG 20 HD2 ARG 20 -2.067 2.367 -8.431 138 2HD ARG 20 HD1 ARG 20 -0.623 1.928 -7.531 139 HE ARG 20 HE ARG 20 0.660 3.006 -9.317 140 1HH1 ARG 20 1HH1 ARG 20 -2.737 3.793 -9.099 141 2HH1 ARG 20 2HH1 ARG 20 -2.549 5.322 -9.886 142 1HH2 ARG 20 1HH2 ARG 20 0.902 5.011 -10.330 143 2HH2 ARG 20 2HH2 ARG 20 -0.487 6.014 -10.585 144 H VAL 21 HN VAL 21 -0.045 -3.058 -6.910 145 HA VAL 21 HA VAL 21 -2.312 -4.742 -6.174 146 HB VAL 21 HB VAL 21 -0.596 -5.882 -4.721 147 1HG1 VAL 21 1HG1 VAL 21 0.304 -7.157 -6.476 148 2HG1 VAL 21 2HG1 VAL 21 0.310 -5.779 -7.581 149 3HG1 VAL 21 3HG1 VAL 21 -1.215 -6.519 -7.107 150 1HG2 VAL 21 1HG2 VAL 21 0.963 -3.597 -5.615 151 2HG2 VAL 21 2HG2 VAL 21 1.785 -5.128 -5.891 152 3HG2 VAL 21 3HG2 VAL 21 1.237 -4.699 -4.272 153 H THR 22 HN THR 22 -2.547 -5.229 -3.769 154 HA THR 22 HA THR 22 -2.163 -2.788 -2.158 155 HB THR 22 HB THR 22 -4.520 -4.684 -2.171 156 HG1 THR 22 HG1 THR 22 -5.623 -2.641 -2.546 157 1HG2 THR 22 1HG2 THR 22 -3.517 -3.096 -0.004 158 2HG2 THR 22 2HG2 THR 22 -4.894 -4.199 -0.049 159 3HG2 THR 22 3HG2 THR 22 -5.099 -2.511 -0.522 160 H ILE 23 HN ILE 23 -0.652 -3.231 -0.638 161 HA ILE 23 HA ILE 23 -0.795 -5.869 0.656 162 HB ILE 23 HB ILE 23 1.613 -6.076 0.657 163 1HG1 ILE 23 2HG1 ILE 23 1.958 -3.517 0.524 164 2HG1 ILE 23 1HG1 ILE 23 3.116 -4.559 -0.285 165 1HG2 ILE 23 1HG2 ILE 23 1.150 -5.562 -2.205 166 2HG2 ILE 23 2HG2 ILE 23 -0.032 -6.586 -1.402 167 3HG2 ILE 23 3HG2 ILE 23 1.675 -7.029 -1.382 168 1HD1 ILE 23 1HD1 ILE 23 2.696 -2.800 -1.766 169 2HD1 ILE 23 2HD1 ILE 23 0.958 -2.890 -1.512 170 3HD1 ILE 23 3HD1 ILE 23 1.782 -4.168 -2.397 171 H ASP 24 HN ASP 24 0.121 -6.061 2.721 172 HA ASP 24 HA ASP 24 0.454 -3.528 4.212 173 1HB ASP 24 HB2 ASP 24 -0.428 -4.802 6.198 174 2HB ASP 24 HB1 ASP 24 -1.620 -4.565 4.929 175 H PHE 25 HN PHE 25 2.436 -3.382 5.252 176 HA PHE 25 HA PHE 25 3.836 -5.872 5.868 177 1HB PHE 25 HB2 PHE 25 5.869 -5.201 4.755 178 2HB PHE 25 HB1 PHE 25 4.536 -5.196 3.604 179 HD1 PHE 25 HD1 PHE 25 4.070 -3.322 2.326 180 HD2 PHE 25 HD2 PHE 25 6.571 -2.967 5.760 181 HE1 PHE 25 HE1 PHE 25 4.576 -0.991 1.730 182 HE2 PHE 25 HE2 PHE 25 7.071 -0.629 5.154 183 HZ PHE 25 HZ PHE 25 6.064 0.352 3.129 184 H THR 26 HN THR 26 5.877 -5.519 7.061 185 HA THR 26 HA THR 26 6.032 -3.043 8.591 186 HB THR 26 HB THR 26 5.737 -5.721 9.970 187 HG1 THR 26 HG1 THR 26 3.867 -3.602 9.995 188 1HG2 THR 26 1HG2 THR 26 5.145 -3.670 11.743 189 2HG2 THR 26 2HG2 THR 26 6.603 -3.140 10.904 190 3HG2 THR 26 3HG2 THR 26 6.581 -4.695 11.736 191 H GLY 27 HN GLY 27 8.119 -2.492 8.423 192 1HA GLY 27 HA2 GLY 27 10.165 -4.397 9.192 193 2HA GLY 27 HA1 GLY 27 10.225 -3.902 7.513 194 H SER 28 HN SER 28 12.373 -3.449 9.014 195 HA SER 28 HA SER 28 12.264 -0.590 9.739 196 1HB SER 28 HB2 SER 28 14.729 -1.885 10.519 197 2HB SER 28 HB1 SER 28 13.509 -1.129 11.534 198 HG SER 28 HG SER 28 12.360 -3.092 11.513 199 H VAL 29 HN VAL 29 14.568 0.410 9.490 200 HA VAL 29 HA VAL 29 15.455 -0.101 6.749 201 HB VAL 29 HB VAL 29 15.791 2.449 8.304 202 1HG1 VAL 29 1HG1 VAL 29 17.054 3.136 6.622 203 2HG1 VAL 29 2HG1 VAL 29 15.756 2.793 5.478 204 3HG1 VAL 29 3HG1 VAL 29 16.921 1.538 5.892 205 1HG2 VAL 29 1HG2 VAL 29 13.885 3.353 7.281 206 2HG2 VAL 29 2HG2 VAL 29 13.389 1.759 7.847 207 3HG2 VAL 29 3HG2 VAL 29 13.760 2.014 6.143 208 H ASP 30 HN ASP 30 17.049 1.709 9.336 209 HA ASP 30 HA ASP 30 19.459 0.122 8.875 210 1HB ASP 30 HB2 ASP 30 19.304 2.753 8.976 211 2HB ASP 30 HB1 ASP 30 19.378 2.486 10.714 212 H GLY 31 HN GLY 31 17.383 -1.195 10.190 213 1HA GLY 31 HA2 GLY 31 17.556 -2.770 11.955 214 2HA GLY 31 HA1 GLY 31 18.642 -1.670 12.795 215 H GLU 32 HN GLU 32 16.514 0.466 11.923 216 HA GLU 32 HA GLU 32 14.536 -0.135 14.015 217 1HB GLU 32 HB2 GLU 32 15.862 2.548 13.574 218 2HB GLU 32 HB1 GLU 32 14.628 2.186 14.774 219 1HG GLU 32 HG2 GLU 32 17.416 1.052 14.678 220 2HG GLU 32 HG1 GLU 32 16.811 2.268 15.803 221 H GLU 33 HN GLU 33 12.556 -0.084 13.213 222 HA GLU 33 HA GLU 33 11.955 0.697 10.608 223 1HB GLU 33 HB2 GLU 33 9.562 0.421 11.348 224 2HB GLU 33 HB1 GLU 33 10.597 -0.976 11.588 225 1HG GLU 33 HG2 GLU 33 10.789 -0.477 13.938 226 2HG GLU 33 HG1 GLU 33 9.873 1.013 13.725 227 H PHE 34 HN PHE 34 11.647 2.583 9.758 228 HA PHE 34 HA PHE 34 11.458 4.947 11.358 229 1HB PHE 34 HB2 PHE 34 11.874 6.111 9.337 230 2HB PHE 34 HB1 PHE 34 12.881 4.672 9.309 231 HD1 PHE 34 HD1 PHE 34 10.890 2.631 8.398 232 HD2 PHE 34 HD2 PHE 34 11.569 6.631 7.110 233 HE1 PHE 34 HE1 PHE 34 9.982 2.067 6.190 234 HE2 PHE 34 HE2 PHE 34 10.656 6.071 4.897 235 HZ PHE 34 HZ PHE 34 9.861 3.788 4.434 236 H GLU 35 HN GLU 35 9.938 6.103 8.937 237 HA GLU 35 HA GLU 35 7.404 6.269 10.229 238 1HB GLU 35 HB2 GLU 35 8.192 7.158 7.448 239 2HB GLU 35 HB1 GLU 35 6.743 7.643 8.318 240 1HG GLU 35 HG2 GLU 35 9.459 8.179 9.446 241 2HG GLU 35 HG1 GLU 35 8.745 9.250 8.240 242 H GLY 36 HN GLY 36 8.475 4.929 7.107 243 1HA GLY 36 HA2 GLY 36 5.948 3.616 6.661 244 2HA GLY 36 HA1 GLY 36 7.377 3.501 5.648 245 H GLY 37 HN GLY 37 8.008 2.857 8.934 246 1HA GLY 37 HA2 GLY 37 8.876 0.258 8.476 247 2HA GLY 37 HA1 GLY 37 8.538 0.947 10.051 248 H LYS 38 HN LYS 38 5.679 1.331 8.676 249 HA LYS 38 HA LYS 38 4.754 -1.403 8.745 250 1HB LYS 38 HB2 LYS 38 3.073 -0.987 10.499 251 2HB LYS 38 HB1 LYS 38 4.717 -0.875 11.109 252 1HG LYS 38 HG2 LYS 38 4.472 1.261 11.707 253 2HG LYS 38 HG1 LYS 38 3.626 1.683 10.218 254 1HD LYS 38 HD2 LYS 38 2.048 -0.022 11.979 255 2HD LYS 38 HD1 LYS 38 2.504 1.506 12.733 256 1HE LYS 38 HE2 LYS 38 1.497 1.631 9.952 257 2HE LYS 38 HE1 LYS 38 0.325 1.223 11.204 258 1HZ LYS 38 HZ1 LYS 38 0.356 3.292 12.014 259 2HZ LYS 38 HZ2 LYS 38 1.030 3.725 10.524 260 3HZ LYS 38 HZ3 LYS 38 2.034 3.455 11.859 261 H ALA 39 HN ALA 39 3.313 -1.644 7.215 262 HA ALA 39 HA ALA 39 1.505 0.572 6.553 263 1HB ALA 39 HB1 ALA 39 2.789 0.855 4.707 264 2HB ALA 39 HB2 ALA 39 1.820 -0.495 4.113 265 3HB ALA 39 HB3 ALA 39 3.434 -0.786 4.767 266 H SER 40 HN SER 40 -0.539 -0.045 5.904 267 HA SER 40 HA SER 40 -1.123 -2.913 6.198 268 1HB SER 40 HB2 SER 40 -3.387 -2.217 6.940 269 2HB SER 40 HB1 SER 40 -2.112 -1.619 8.002 270 HG SER 40 HG SER 40 -3.919 -0.235 6.531 271 H ASP 41 HN ASP 41 -2.423 0.026 4.631 272 HA ASP 41 HA ASP 41 -3.367 -1.627 2.429 273 1HB ASP 41 HB2 ASP 41 -4.743 0.370 1.835 274 2HB ASP 41 HB1 ASP 41 -5.145 -0.299 3.414 275 H PHE 42 HN PHE 42 -0.976 -1.673 1.872 276 HA PHE 42 HA PHE 42 0.048 0.843 0.840 277 1HB PHE 42 HB2 PHE 42 1.562 -0.766 2.036 278 2HB PHE 42 HB1 PHE 42 1.326 -1.895 0.709 279 HD1 PHE 42 HD1 PHE 42 3.626 -2.036 0.038 280 HD2 PHE 42 HD2 PHE 42 1.662 1.742 0.259 281 HE1 PHE 42 HE1 PHE 42 5.479 -0.996 -1.190 282 HE2 PHE 42 HE2 PHE 42 3.524 2.781 -0.964 283 HZ PHE 42 HZ PHE 42 5.437 1.412 -1.689 284 H VAL 43 HN VAL 43 -0.476 1.484 -1.138 285 HA VAL 43 HA VAL 43 -1.408 -0.507 -3.055 286 HB VAL 43 HB VAL 43 -1.450 2.506 -3.241 287 1HG1 VAL 43 1HG1 VAL 43 -2.105 2.279 -5.357 288 2HG1 VAL 43 2HG1 VAL 43 -3.368 1.139 -4.889 289 3HG1 VAL 43 3HG1 VAL 43 -1.741 0.555 -5.246 290 1HG2 VAL 43 1HG2 VAL 43 -3.760 0.651 -2.696 291 2HG2 VAL 43 2HG2 VAL 43 -3.746 2.414 -2.624 292 3HG2 VAL 43 3HG2 VAL 43 -2.855 1.474 -1.426 293 H LEU 44 HN LEU 44 0.404 -1.469 -3.823 294 HA LEU 44 HA LEU 44 2.634 0.137 -4.738 295 1HB LEU 44 HB2 LEU 44 2.318 -2.485 -3.778 296 2HB LEU 44 HB1 LEU 44 2.825 -2.642 -5.448 297 HG LEU 44 HG LEU 44 4.285 -1.268 -3.204 298 1HD1 LEU 44 1HD1 LEU 44 5.053 -3.371 -3.053 299 2HD1 LEU 44 2HD1 LEU 44 6.019 -2.907 -4.450 300 3HD1 LEU 44 3HD1 LEU 44 4.517 -3.795 -4.678 301 1HD2 LEU 44 1HD2 LEU 44 4.842 0.219 -4.834 302 2HD2 LEU 44 2HD2 LEU 44 4.508 -0.919 -6.140 303 3HD2 LEU 44 3HD2 LEU 44 6.006 -1.049 -5.219 304 H ALA 45 HN ALA 45 3.273 0.390 -6.812 305 HA ALA 45 HA ALA 45 1.289 -0.323 -8.852 306 1HB ALA 45 HB1 ALA 45 3.464 1.766 -8.923 307 2HB ALA 45 HB2 ALA 45 1.764 2.058 -8.565 308 3HB ALA 45 HB3 ALA 45 2.242 1.496 -10.167 309 H MET 46 HN MET 46 1.871 -2.267 -9.744 310 HA MET 46 HA MET 46 4.569 -3.113 -10.019 311 1HB MET 46 HB2 MET 46 1.924 -4.187 -10.640 312 2HB MET 46 HB1 MET 46 3.141 -4.639 -11.828 313 1HG MET 46 HG2 MET 46 3.570 -4.979 -8.880 314 2HG MET 46 HG1 MET 46 2.801 -6.210 -9.873 315 1HE MET 46 HE1 MET 46 5.431 -6.942 -12.523 316 2HE MET 46 HE2 MET 46 3.724 -6.808 -12.106 317 3HE MET 46 HE3 MET 46 4.701 -8.101 -11.414 318 H GLY 47 HN GLY 47 5.460 -1.258 -11.036 319 1HA GLY 47 HA2 GLY 47 6.637 -0.845 -13.103 320 2HA GLY 47 HA1 GLY 47 5.213 -1.396 -13.971 321 H GLN 48 HN GLN 48 6.348 1.185 -11.816 322 HA GLN 48 HA GLN 48 4.707 3.073 -13.363 323 1HB GLN 48 HB2 GLN 48 3.865 2.440 -10.972 324 2HB GLN 48 HB1 GLN 48 5.167 3.490 -10.430 325 1HG GLN 48 HG2 GLN 48 4.026 5.112 -12.220 326 2HG GLN 48 HG1 GLN 48 2.619 4.154 -11.757 327 1HE2 GLN 48 1HE2 GLN 48 4.812 6.608 -10.849 328 2HE2 GLN 48 2HE2 GLN 48 4.134 6.962 -9.299 329 H GLY 49 HN GLY 49 7.092 3.237 -10.712 330 1HA GLY 49 HA2 GLY 49 8.509 5.327 -12.219 331 2HA GLY 49 HA1 GLY 49 8.670 5.015 -10.496 332 H ARG 50 HN ARG 50 9.327 2.523 -10.192 333 HA ARG 50 HA ARG 50 11.040 1.287 -12.009 334 1HB ARG 50 HB2 ARG 50 13.245 1.846 -11.149 335 2HB ARG 50 HB1 ARG 50 12.437 3.307 -11.697 336 1HG ARG 50 HG2 ARG 50 12.724 4.241 -9.717 337 2HG ARG 50 HG1 ARG 50 11.840 2.922 -8.945 338 1HD ARG 50 HD2 ARG 50 14.210 3.343 -8.135 339 2HD ARG 50 HD1 ARG 50 13.803 1.686 -8.569 340 HE ARG 50 HE ARG 50 15.358 3.520 -10.278 341 1HH1 ARG 50 1HH1 ARG 50 14.629 0.294 -9.129 342 2HH1 ARG 50 2HH1 ARG 50 15.862 -0.450 -10.084 343 1HH2 ARG 50 1HH2 ARG 50 16.973 2.526 -11.528 344 2HH2 ARG 50 2HH2 ARG 50 17.191 0.809 -11.442 345 H MET 51 HN MET 51 9.363 -0.048 -10.754 346 HA MET 51 HA MET 51 9.509 -0.770 -8.127 347 1HB MET 51 HB2 MET 51 8.050 -1.663 -10.162 348 2HB MET 51 HB1 MET 51 9.205 -2.987 -10.092 349 1HG MET 51 HG2 MET 51 7.701 -3.836 -8.652 350 2HG MET 51 HG1 MET 51 8.572 -2.830 -7.498 351 1HE MET 51 HE1 MET 51 7.624 -0.382 -6.660 352 2HE MET 51 HE2 MET 51 6.249 0.375 -7.465 353 3HE MET 51 HE3 MET 51 7.722 0.034 -8.371 354 H ILE 52 HN ILE 52 11.187 -1.284 -6.935 355 HA ILE 52 HA ILE 52 13.627 -2.301 -7.975 356 HB ILE 52 HB ILE 52 13.971 -2.821 -5.381 357 1HG1 ILE 52 2HG1 ILE 52 11.870 -0.644 -5.341 358 2HG1 ILE 52 1HG1 ILE 52 11.577 -2.310 -4.851 359 1HG2 ILE 52 1HG2 ILE 52 14.004 -0.119 -6.702 360 2HG2 ILE 52 2HG2 ILE 52 15.328 -1.275 -6.572 361 3HG2 ILE 52 3HG2 ILE 52 14.731 -0.451 -5.131 362 1HD1 ILE 52 1HD1 ILE 52 13.208 -2.081 -3.067 363 2HD1 ILE 52 2HD1 ILE 52 11.955 -0.845 -2.943 364 3HD1 ILE 52 3HD1 ILE 52 13.548 -0.427 -3.578 365 HA PRO 53 HA PRO 53 13.159 -6.672 -7.910 366 1HB PRO 53 HB2 PRO 53 15.337 -7.511 -6.446 367 2HB PRO 53 HB1 PRO 53 15.400 -7.043 -8.150 368 1HG PRO 53 HG2 PRO 53 16.096 -5.449 -5.716 369 2HG PRO 53 HG1 PRO 53 16.928 -5.532 -7.281 370 1HD PRO 53 HD2 PRO 53 15.340 -3.464 -6.639 371 2HD PRO 53 HD1 PRO 53 15.422 -4.092 -8.299 372 H GLY 54 HN GLY 54 13.373 -4.907 -4.959 373 1HA GLY 54 HA2 GLY 54 12.858 -7.037 -3.152 374 2HA GLY 54 HA1 GLY 54 12.625 -5.323 -2.839 375 H PHE 55 HN PHE 55 10.696 -4.429 -4.273 376 HA PHE 55 HA PHE 55 8.396 -5.742 -3.282 377 1HB PHE 55 HB2 PHE 55 8.811 -3.359 -5.073 378 2HB PHE 55 HB1 PHE 55 7.207 -3.971 -4.712 379 HD1 PHE 55 HD1 PHE 55 6.652 -4.201 -2.129 380 HD2 PHE 55 HD2 PHE 55 9.725 -1.736 -3.746 381 HE1 PHE 55 HE1 PHE 55 6.633 -2.847 -0.092 382 HE2 PHE 55 HE2 PHE 55 9.703 -0.373 -1.698 383 HZ PHE 55 HZ PHE 55 8.155 -0.932 0.127 384 H GLU 56 HN GLU 56 9.770 -5.287 -6.513 385 HA GLU 56 HA GLU 56 7.764 -6.479 -8.013 386 1HB GLU 56 HB2 GLU 56 10.393 -5.563 -8.465 387 2HB GLU 56 HB1 GLU 56 10.337 -7.208 -9.077 388 1HG GLU 56 HG2 GLU 56 8.262 -6.538 -10.340 389 2HG GLU 56 HG1 GLU 56 8.632 -4.875 -9.888 390 H ASP 57 HN ASP 57 9.971 -7.914 -5.799 391 HA ASP 57 HA ASP 57 9.796 -10.566 -6.897 392 1HB ASP 57 HB2 ASP 57 11.769 -9.740 -5.601 393 2HB ASP 57 HB1 ASP 57 10.767 -9.733 -4.157 394 H GLY 58 HN GLY 58 8.993 -9.588 -3.551 395 1HA GLY 58 HA2 GLY 58 7.117 -11.666 -3.242 396 2HA GLY 58 HA1 GLY 58 7.303 -10.286 -2.177 397 H ILE 59 HN ILE 59 6.566 -8.173 -3.567 398 HA ILE 59 HA ILE 59 3.737 -8.533 -3.897 399 HB ILE 59 HB ILE 59 5.290 -5.981 -4.389 400 1HG1 ILE 59 2HG1 ILE 59 4.719 -5.581 -1.893 401 2HG1 ILE 59 1HG1 ILE 59 4.634 -7.321 -1.774 402 1HG2 ILE 59 1HG2 ILE 59 3.249 -4.911 -3.776 403 2HG2 ILE 59 2HG2 ILE 59 2.562 -6.425 -3.189 404 3HG2 ILE 59 3HG2 ILE 59 2.838 -6.197 -4.910 405 1HD1 ILE 59 1HD1 ILE 59 6.847 -7.495 -1.738 406 2HD1 ILE 59 2HD1 ILE 59 6.867 -5.757 -1.478 407 3HD1 ILE 59 3HD1 ILE 59 7.022 -6.404 -3.102 408 H LYS 60 HN LYS 60 5.194 -9.873 -5.704 409 HA LYS 60 HA LYS 60 5.505 -8.722 -8.268 410 1HB LYS 60 HB2 LYS 60 5.065 -11.458 -7.262 411 2HB LYS 60 HB1 LYS 60 4.408 -11.185 -8.870 412 1HG LYS 60 HG2 LYS 60 6.711 -10.212 -9.433 413 2HG LYS 60 HG1 LYS 60 7.248 -10.999 -7.950 414 1HD LYS 60 HD2 LYS 60 7.571 -12.819 -9.203 415 2HD LYS 60 HD1 LYS 60 5.813 -12.976 -9.229 416 1HE LYS 60 HE2 LYS 60 6.280 -13.027 -11.474 417 2HE LYS 60 HE1 LYS 60 6.004 -11.303 -11.235 418 1HZ LYS 60 HZ1 LYS 60 7.959 -11.406 -12.457 419 2HZ LYS 60 HZ2 LYS 60 8.569 -12.722 -11.588 420 3HZ LYS 60 HZ3 LYS 60 8.514 -11.190 -10.874 421 H GLY 61 HN GLY 61 2.772 -10.316 -6.778 422 1HA GLY 61 HA2 GLY 61 0.563 -9.270 -6.721 423 2HA GLY 61 HA1 GLY 61 0.895 -8.666 -8.343 424 H HIS 62 HN HIS 62 1.153 -11.752 -6.657 425 HA HIS 62 HA HIS 62 -0.323 -12.988 -8.907 426 1HB HIS 62 HB2 HIS 62 1.055 -15.028 -8.538 427 2HB HIS 62 HB1 HIS 62 1.983 -13.629 -9.073 428 HD2 HIS 62 HD2 HIS 62 3.038 -12.230 -6.521 429 HE1 HIS 62 HE1 HIS 62 3.870 -16.062 -4.900 430 HE2 HIS 62 HE2 HIS 62 4.280 -13.583 -4.701 431 H LYS 63 HN LYS 63 0.296 -13.177 -5.402 432 HA LYS 63 HA LYS 63 -2.078 -14.894 -5.229 433 1HB LYS 63 HB2 LYS 63 -0.486 -16.266 -4.343 434 2HB LYS 63 HB1 LYS 63 0.546 -14.935 -3.854 435 1HG LYS 63 HG2 LYS 63 -0.061 -15.703 -1.826 436 2HG LYS 63 HG1 LYS 63 -1.372 -14.563 -2.087 437 1HD LYS 63 HD2 LYS 63 -1.809 -17.291 -3.117 438 2HD LYS 63 HD1 LYS 63 -1.746 -17.127 -1.361 439 1HE LYS 63 HE2 LYS 63 -3.370 -15.107 -1.832 440 2HE LYS 63 HE1 LYS 63 -3.703 -16.008 -3.310 441 1HZ LYS 63 HZ1 LYS 63 -3.736 -17.590 -0.888 442 2HZ LYS 63 HZ2 LYS 63 -4.810 -17.586 -2.193 443 3HZ LYS 63 HZ3 LYS 63 -4.953 -16.417 -0.979 444 H ALA 64 HN ALA 64 -3.644 -13.394 -4.990 445 HA ALA 64 HA ALA 64 -3.503 -11.055 -3.449 446 1HB ALA 64 HB1 ALA 64 -5.755 -10.778 -3.909 447 2HB ALA 64 HB2 ALA 64 -6.084 -12.509 -3.853 448 3HB ALA 64 HB3 ALA 64 -5.238 -11.817 -5.237 449 H GLY 65 HN GLY 65 -2.895 -11.187 -1.339 450 1HA GLY 65 HA2 GLY 65 -3.760 -11.401 0.907 451 2HA GLY 65 HA1 GLY 65 -4.568 -12.877 0.403 452 H GLU 66 HN GLU 66 -1.241 -12.001 -0.330 453 HA GLU 66 HA GLU 66 -0.350 -14.465 0.953 454 1HB GLU 66 HB2 GLU 66 0.310 -13.767 -1.406 455 2HB GLU 66 HB1 GLU 66 1.316 -12.540 -0.659 456 1HG GLU 66 HG2 GLU 66 2.671 -14.175 0.399 457 2HG GLU 66 HG1 GLU 66 1.565 -15.470 -0.053 458 H GLU 67 HN GLU 67 1.757 -14.424 2.092 459 HA GLU 67 HA GLU 67 2.305 -11.939 3.537 460 1HB GLU 67 HB2 GLU 67 2.588 -13.287 5.646 461 2HB GLU 67 HB1 GLU 67 0.927 -13.123 5.094 462 1HG GLU 67 HG2 GLU 67 0.931 -15.355 4.227 463 2HG GLU 67 HG1 GLU 67 2.653 -15.529 4.564 464 H PHE 68 HN PHE 68 4.292 -11.524 2.731 465 HA PHE 68 HA PHE 68 6.349 -13.596 3.107 466 1HB PHE 68 HB2 PHE 68 7.326 -12.892 0.887 467 2HB PHE 68 HB1 PHE 68 5.806 -13.782 0.786 468 HD1 PHE 68 HD1 PHE 68 3.871 -12.804 -0.105 469 HD2 PHE 68 HD2 PHE 68 7.324 -10.441 0.622 470 HE1 PHE 68 HE1 PHE 68 2.842 -10.947 -1.319 471 HE2 PHE 68 HE2 PHE 68 6.300 -8.569 -0.604 472 HZ PHE 68 HZ PHE 68 4.049 -8.824 -1.580 473 H THR 69 HN THR 69 8.580 -12.668 2.834 474 HA THR 69 HA THR 69 8.677 -9.879 3.749 475 HB THR 69 HB THR 69 10.558 -12.046 4.677 476 HG1 THR 69 HG1 THR 69 9.240 -12.504 6.256 477 1HG2 THR 69 1HG2 THR 69 10.146 -9.198 5.418 478 2HG2 THR 69 2HG2 THR 69 11.641 -10.104 5.196 479 3HG2 THR 69 3HG2 THR 69 10.670 -10.345 6.649 480 H ILE 70 HN ILE 70 9.852 -8.588 2.437 481 HA ILE 70 HA ILE 70 12.074 -9.860 0.974 482 HB ILE 70 HB ILE 70 11.584 -8.637 -1.037 483 1HG1 ILE 70 2HG1 ILE 70 10.573 -6.640 0.075 484 2HG1 ILE 70 1HG1 ILE 70 9.661 -7.209 -1.315 485 1HG2 ILE 70 1HG2 ILE 70 9.147 -9.571 -1.414 486 2HG2 ILE 70 2HG2 ILE 70 9.470 -10.368 0.126 487 3HG2 ILE 70 3HG2 ILE 70 10.537 -10.645 -1.252 488 1HD1 ILE 70 1HD1 ILE 70 8.566 -8.532 0.882 489 2HD1 ILE 70 2HD1 ILE 70 7.860 -7.205 -0.042 490 3HD1 ILE 70 3HD1 ILE 70 8.823 -6.864 1.399 491 H ASP 71 HN ASP 71 13.592 -8.212 0.056 492 HA ASP 71 HA ASP 71 14.051 -6.151 2.076 493 1HB ASP 71 HB2 ASP 71 16.301 -5.977 0.943 494 2HB ASP 71 HB1 ASP 71 15.974 -7.545 1.672 495 H VAL 72 HN VAL 72 14.366 -3.943 1.431 496 HA VAL 72 HA VAL 72 13.826 -3.314 -1.359 497 HB VAL 72 HB VAL 72 12.189 -1.481 -0.521 498 1HG1 VAL 72 1HG1 VAL 72 10.276 -3.085 -0.774 499 2HG1 VAL 72 2HG1 VAL 72 11.465 -4.388 -0.809 500 3HG1 VAL 72 3HG1 VAL 72 11.483 -3.144 -2.060 501 1HG2 VAL 72 1HG2 VAL 72 10.761 -2.414 1.354 502 2HG2 VAL 72 2HG2 VAL 72 12.307 -1.706 1.811 503 3HG2 VAL 72 3HG2 VAL 72 12.125 -3.460 1.736 504 H THR 73 HN THR 73 14.940 -1.569 -2.046 505 HA THR 73 HA THR 73 15.834 0.432 -0.156 506 HB THR 73 HB THR 73 17.685 -1.339 -1.766 507 HG1 THR 73 HG1 THR 73 17.648 -2.181 0.182 508 1HG2 THR 73 1HG2 THR 73 19.409 0.294 -0.565 509 2HG2 THR 73 2HG2 THR 73 18.100 1.437 -0.866 510 3HG2 THR 73 3HG2 THR 73 18.825 0.551 -2.207 511 H PHE 74 HN PHE 74 15.445 2.349 -1.129 512 HA PHE 74 HA PHE 74 14.875 2.342 -3.949 513 1HB PHE 74 HB2 PHE 74 14.596 4.440 -1.813 514 2HB PHE 74 HB1 PHE 74 14.221 4.737 -3.509 515 HD1 PHE 74 HD1 PHE 74 13.513 2.036 -1.010 516 HD2 PHE 74 HD2 PHE 74 12.005 4.642 -4.003 517 HE1 PHE 74 HE1 PHE 74 11.259 1.083 -0.710 518 HE2 PHE 74 HE2 PHE 74 9.752 3.710 -3.708 519 HZ PHE 74 HZ PHE 74 9.376 1.933 -2.054 520 HA PRO 75 HA PRO 75 18.967 3.620 -5.102 521 1HB PRO 75 HB2 PRO 75 18.380 4.385 -7.661 522 2HB PRO 75 HB1 PRO 75 18.597 2.704 -7.163 523 1HG PRO 75 HG2 PRO 75 16.065 4.248 -7.573 524 2HG PRO 75 HG1 PRO 75 16.451 2.581 -8.037 525 1HD PRO 75 HD2 PRO 75 14.973 3.161 -5.864 526 2HD PRO 75 HD1 PRO 75 16.069 1.765 -5.916 527 H GLU 76 HN GLU 76 19.973 5.545 -6.270 528 HA GLU 76 HA GLU 76 19.207 7.913 -4.899 529 1HB GLU 76 HB2 GLU 76 21.555 7.167 -5.614 530 2HB GLU 76 HB1 GLU 76 21.137 7.795 -7.203 531 1HG GLU 76 HG2 GLU 76 20.591 9.977 -6.005 532 2HG GLU 76 HG1 GLU 76 21.442 9.288 -4.624 533 H GLU 77 HN GLU 77 18.173 6.546 -7.822 534 HA GLU 77 HA GLU 77 17.523 9.080 -9.075 535 1HB GLU 77 HB2 GLU 77 16.563 7.671 -10.878 536 2HB GLU 77 HB1 GLU 77 18.250 7.316 -10.539 537 1HG GLU 77 HG2 GLU 77 17.414 5.415 -9.088 538 2HG GLU 77 HG1 GLU 77 15.831 5.698 -9.811 539 H TYR 78 HN TYR 78 15.907 6.519 -7.299 540 HA TYR 78 HA TYR 78 13.244 7.305 -7.878 541 1HB TYR 78 HB2 TYR 78 14.099 5.106 -6.822 542 2HB TYR 78 HB1 TYR 78 14.085 5.985 -5.301 543 HD1 TYR 78 HD1 TYR 78 12.231 3.971 -7.467 544 HD2 TYR 78 HD2 TYR 78 11.778 7.179 -4.712 545 HE1 TYR 78 HE1 TYR 78 9.857 3.415 -7.231 546 HE2 TYR 78 HE2 TYR 78 9.393 6.632 -4.474 547 HH TYR 78 HH TYR 78 7.706 4.774 -6.548 548 H HIS 79 HN HIS 79 14.923 7.583 -4.777 549 HA HIS 79 HA HIS 79 14.461 8.953 -3.003 550 1HB HIS 79 HB2 HIS 79 15.507 10.623 -5.248 551 2HB HIS 79 HB1 HIS 79 15.188 11.344 -3.673 552 HD2 HIS 79 HD2 HIS 79 16.546 7.808 -3.301 553 HE1 HIS 79 HE1 HIS 79 19.853 10.432 -2.871 554 HE2 HIS 79 HE2 HIS 79 19.049 8.051 -2.696 555 H ALA 80 HN ALA 80 12.128 8.647 -2.858 556 HA ALA 80 HA ALA 80 10.448 10.706 -4.029 557 1HB ALA 80 HB1 ALA 80 9.862 8.191 -3.652 558 2HB ALA 80 HB2 ALA 80 8.629 9.429 -3.432 559 3HB ALA 80 HB3 ALA 80 9.440 8.734 -2.031 560 H GLU 81 HN GLU 81 9.247 12.205 -2.829 561 HA GLU 81 HA GLU 81 10.559 13.590 -0.859 562 1HB GLU 81 HB2 GLU 81 8.606 14.334 -2.289 563 2HB GLU 81 HB1 GLU 81 7.559 13.545 -1.118 564 1HG GLU 81 HG2 GLU 81 9.486 15.363 0.095 565 2HG GLU 81 HG1 GLU 81 8.386 16.150 -1.036 566 H ASN 82 HN ASN 82 8.509 10.794 -0.409 567 HA ASN 82 HA ASN 82 8.324 11.320 2.454 568 1HB ASN 82 HB2 ASN 82 6.931 9.173 2.413 569 2HB ASN 82 HB1 ASN 82 6.267 10.598 1.620 570 1HD2 ASN 82 1HD2 ASN 82 8.042 7.610 1.035 571 2HD2 ASN 82 2HD2 ASN 82 7.458 7.367 -0.573 572 H LEU 83 HN LEU 83 9.752 8.855 0.318 573 HA LEU 83 HA LEU 83 11.291 7.934 2.652 574 1HB LEU 83 HB2 LEU 83 10.878 5.696 2.256 575 2HB LEU 83 HB1 LEU 83 9.326 6.458 2.012 576 HG LEU 83 HG LEU 83 9.286 5.058 0.234 577 1HD1 LEU 83 1HD1 LEU 83 11.004 6.528 -1.552 578 2HD1 LEU 83 2HD1 LEU 83 10.012 7.615 -0.588 579 3HD1 LEU 83 3HD1 LEU 83 9.251 6.360 -1.552 580 1HD2 LEU 83 1HD2 LEU 83 11.330 3.938 0.806 581 2HD2 LEU 83 2HD2 LEU 83 12.271 5.234 0.062 582 3HD2 LEU 83 3HD2 LEU 83 11.243 4.217 -0.928 583 H LYS 84 HN LYS 84 11.867 9.585 0.162 584 HA LYS 84 HA LYS 84 13.398 8.566 -1.744 585 1HB LYS 84 HB2 LYS 84 14.974 10.545 -1.447 586 2HB LYS 84 HB1 LYS 84 13.269 10.902 -1.666 587 1HG LYS 84 HG2 LYS 84 13.264 10.877 0.962 588 2HG LYS 84 HG1 LYS 84 14.981 11.217 0.736 589 1HD LYS 84 HD2 LYS 84 14.509 13.196 -0.499 590 2HD LYS 84 HD1 LYS 84 12.794 12.796 -0.604 591 1HE LYS 84 HE2 LYS 84 13.130 12.802 2.072 592 2HE LYS 84 HE1 LYS 84 14.334 14.001 1.601 593 1HZ LYS 84 HZ1 LYS 84 12.348 15.173 1.953 594 2HZ LYS 84 HZ2 LYS 84 11.419 14.055 1.090 595 3HZ LYS 84 HZ3 LYS 84 12.500 15.066 0.272 596 H GLY 85 HN GLY 85 15.105 7.349 -2.049 597 1HA GLY 85 HA2 GLY 85 16.888 5.978 -1.600 598 2HA GLY 85 HA1 GLY 85 17.515 7.373 -0.740 599 H LYS 86 HN LYS 86 14.866 5.070 -0.095 600 HA LYS 86 HA LYS 86 15.880 4.817 2.636 601 1HB LYS 86 HB2 LYS 86 13.513 5.407 2.368 602 2HB LYS 86 HB1 LYS 86 13.251 3.927 1.460 603 1HG LYS 86 HG2 LYS 86 14.390 3.036 3.800 604 2HG LYS 86 HG1 LYS 86 13.348 4.360 4.324 605 1HD LYS 86 HD2 LYS 86 11.931 2.523 4.391 606 2HD LYS 86 HD1 LYS 86 11.565 3.242 2.822 607 1HE LYS 86 HE2 LYS 86 13.740 1.297 2.738 608 2HE LYS 86 HE1 LYS 86 12.209 0.615 3.277 609 1HZ LYS 86 HZ1 LYS 86 12.485 2.239 0.818 610 2HZ LYS 86 HZ2 LYS 86 11.154 1.315 1.297 611 3HZ LYS 86 HZ3 LYS 86 12.590 0.551 0.832 612 H ALA 87 HN ALA 87 17.505 3.345 2.547 613 HA ALA 87 HA ALA 87 17.163 0.795 1.191 614 1HB ALA 87 HB1 ALA 87 19.455 0.638 2.757 615 2HB ALA 87 HB2 ALA 87 19.380 2.332 2.274 616 3HB ALA 87 HB3 ALA 87 19.387 1.068 1.051 617 H ALA 88 HN ALA 88 15.386 -0.064 2.378 618 HA ALA 88 HA ALA 88 16.067 -0.827 5.144 619 1HB ALA 88 HB1 ALA 88 13.224 -0.478 4.410 620 2HB ALA 88 HB2 ALA 88 14.208 0.968 4.618 621 3HB ALA 88 HB3 ALA 88 14.038 -0.179 5.943 622 H LYS 89 HN LYS 89 14.233 -2.345 5.926 623 HA LYS 89 HA LYS 89 14.020 -4.638 4.072 624 1HB LYS 89 HB2 LYS 89 14.650 -4.596 7.028 625 2HB LYS 89 HB1 LYS 89 14.044 -6.038 6.226 626 1HG LYS 89 HG2 LYS 89 15.979 -6.113 4.797 627 2HG LYS 89 HG1 LYS 89 16.566 -4.585 5.459 628 1HD LYS 89 HD2 LYS 89 16.033 -6.914 7.264 629 2HD LYS 89 HD1 LYS 89 17.541 -6.822 6.351 630 1HE LYS 89 HE2 LYS 89 18.384 -5.311 7.755 631 2HE LYS 89 HE1 LYS 89 16.942 -4.304 7.633 632 1HZ LYS 89 HZ1 LYS 89 17.222 -6.669 9.407 633 2HZ LYS 89 HZ2 LYS 89 15.881 -5.643 9.318 634 3HZ LYS 89 HZ3 LYS 89 17.355 -5.058 9.903 635 H PHE 90 HN PHE 90 11.972 -5.632 4.010 636 HA PHE 90 HA PHE 90 9.942 -4.632 5.890 637 1HB PHE 90 HB2 PHE 90 9.541 -4.789 2.900 638 2HB PHE 90 HB1 PHE 90 8.273 -4.492 4.077 639 HD1 PHE 90 HD1 PHE 90 8.394 -2.775 1.947 640 HD2 PHE 90 HD2 PHE 90 10.745 -2.674 5.465 641 HE1 PHE 90 HE1 PHE 90 8.691 -0.334 1.675 642 HE2 PHE 90 HE2 PHE 90 11.064 -0.249 5.212 643 HZ PHE 90 HZ PHE 90 10.033 0.926 3.307 644 H ALA 91 HN ALA 91 8.110 -6.000 6.163 645 HA ALA 91 HA ALA 91 8.299 -8.655 4.947 646 1HB ALA 91 HB1 ALA 91 7.207 -8.127 7.708 647 2HB ALA 91 HB2 ALA 91 8.902 -8.534 7.445 648 3HB ALA 91 HB3 ALA 91 7.639 -9.675 6.983 649 H ILE 92 HN ILE 92 6.778 -8.448 3.454 650 HA ILE 92 HA ILE 92 4.369 -6.915 4.036 651 HB ILE 92 HB ILE 92 5.307 -7.955 1.381 652 1HG1 ILE 92 2HG1 ILE 92 6.063 -5.434 2.843 653 2HG1 ILE 92 1HG1 ILE 92 7.116 -6.648 2.158 654 1HG2 ILE 92 1HG2 ILE 92 3.296 -5.911 2.225 655 2HG2 ILE 92 2HG2 ILE 92 3.085 -7.326 1.193 656 3HG2 ILE 92 3HG2 ILE 92 3.985 -5.931 0.602 657 1HD1 ILE 92 1HD1 ILE 92 6.141 -4.254 1.002 658 2HD1 ILE 92 2HD1 ILE 92 5.562 -5.620 0.052 659 3HD1 ILE 92 3HD1 ILE 92 7.289 -5.417 0.343 660 H ASN 93 HN ASN 93 2.370 -7.494 3.025 661 HA ASN 93 HA ASN 93 1.882 -10.353 2.691 662 1HB ASN 93 HB2 ASN 93 0.108 -8.535 4.333 663 2HB ASN 93 HB1 ASN 93 -0.147 -10.250 4.034 664 1HD2 ASN 93 1HD2 ASN 93 2.157 -7.972 5.441 665 2HD2 ASN 93 2HD2 ASN 93 2.705 -9.028 6.694 666 H LEU 94 HN LEU 94 1.368 -10.374 0.561 667 HA LEU 94 HA LEU 94 0.202 -8.251 -0.848 668 1HB LEU 94 HB2 LEU 94 1.506 -10.192 -1.791 669 2HB LEU 94 HB1 LEU 94 0.045 -11.145 -1.639 670 HG LEU 94 HG LEU 94 -1.097 -9.527 -3.163 671 1HD1 LEU 94 1HD1 LEU 94 1.551 -8.235 -2.963 672 2HD1 LEU 94 2HD1 LEU 94 -0.043 -7.527 -3.230 673 3HD1 LEU 94 3HD1 LEU 94 0.822 -8.285 -4.567 674 1HD2 LEU 94 1HD2 LEU 94 1.318 -10.546 -4.583 675 2HD2 LEU 94 2HD2 LEU 94 -0.382 -10.621 -5.053 676 3HD2 LEU 94 3HD2 LEU 94 0.235 -11.694 -3.798 677 H LYS 95 HN LYS 95 -1.869 -8.012 -1.804 678 HA LYS 95 HA LYS 95 -4.010 -9.682 -0.795 679 1HB LYS 95 HB2 LYS 95 -3.887 -6.725 -0.197 680 2HB LYS 95 HB1 LYS 95 -5.329 -7.707 -0.017 681 1HG LYS 95 HG2 LYS 95 -3.314 -9.049 1.387 682 2HG LYS 95 HG1 LYS 95 -3.131 -7.344 1.789 683 1HD LYS 95 HD2 LYS 95 -5.907 -7.995 1.829 684 2HD LYS 95 HD1 LYS 95 -5.036 -9.202 2.775 685 1HE LYS 95 HE2 LYS 95 -5.624 -7.454 4.265 686 2HE LYS 95 HE1 LYS 95 -3.895 -7.301 3.957 687 1HZ LYS 95 HZ1 LYS 95 -5.278 -5.195 3.888 688 2HZ LYS 95 HZ2 LYS 95 -5.893 -5.758 2.418 689 3HZ LYS 95 HZ3 LYS 95 -4.235 -5.463 2.582 690 H LYS 96 HN LYS 96 -5.086 -6.615 -1.781 691 HA LYS 96 HA LYS 96 -6.304 -7.728 -4.084 692 1HB LYS 96 HB2 LYS 96 -6.167 -4.907 -3.046 693 2HB LYS 96 HB1 LYS 96 -7.048 -5.344 -4.501 694 1HG LYS 96 HG2 LYS 96 -8.009 -7.156 -2.708 695 2HG LYS 96 HG1 LYS 96 -7.741 -5.739 -1.692 696 1HD LYS 96 HD2 LYS 96 -8.921 -4.741 -4.012 697 2HD LYS 96 HD1 LYS 96 -9.797 -6.234 -3.665 698 1HE LYS 96 HE2 LYS 96 -10.662 -5.437 -1.717 699 2HE LYS 96 HE1 LYS 96 -9.263 -4.415 -1.389 700 1HZ LYS 96 HZ1 LYS 96 -10.308 -3.274 -3.593 701 2HZ LYS 96 HZ2 LYS 96 -10.615 -2.765 -2.009 702 3HZ LYS 96 HZ3 LYS 96 -11.704 -3.796 -2.792 703 H VAL 97 HN VAL 97 -5.067 -8.310 -5.749 704 HA VAL 97 HA VAL 97 -3.245 -6.326 -6.922 705 HB VAL 97 HB VAL 97 -1.994 -8.275 -6.385 706 1HG1 VAL 97 1HG1 VAL 97 -3.093 -10.456 -7.696 707 2HG1 VAL 97 2HG1 VAL 97 -4.479 -9.652 -6.967 708 3HG1 VAL 97 3HG1 VAL 97 -3.122 -10.152 -5.959 709 1HG2 VAL 97 1HG2 VAL 97 -1.099 -7.858 -8.420 710 2HG2 VAL 97 2HG2 VAL 97 -2.661 -7.879 -9.233 711 3HG2 VAL 97 3HG2 VAL 97 -1.851 -9.394 -8.839 712 H GLU 98 HN GLU 98 -4.306 -5.276 -8.527 713 HA GLU 98 HA GLU 98 -5.810 -6.895 -10.462 714 1HB GLU 98 HB2 GLU 98 -6.789 -4.264 -9.361 715 2HB GLU 98 HB1 GLU 98 -7.626 -5.298 -10.511 716 1HG GLU 98 HG2 GLU 98 -8.643 -6.291 -8.816 717 2HG GLU 98 HG1 GLU 98 -7.083 -6.894 -8.267 718 H GLU 99 HN GLU 99 -6.496 -5.291 -12.383 719 HA GLU 99 HA GLU 99 -3.981 -4.057 -13.232 720 1HB GLU 99 HB2 GLU 99 -5.119 -5.874 -14.597 721 2HB GLU 99 HB1 GLU 99 -6.344 -4.675 -14.986 722 1HG GLU 99 HG2 GLU 99 -3.644 -3.709 -15.450 723 2HG GLU 99 HG1 GLU 99 -4.026 -5.152 -16.385 724 H ARG 100 HN ARG 100 -4.194 -2.083 -12.153 725 HA ARG 100 HA ARG 100 -6.409 -0.352 -12.414 726 1HB ARG 100 HB2 ARG 100 -4.926 1.383 -11.572 727 2HB ARG 100 HB1 ARG 100 -4.686 -0.107 -10.669 728 1HG ARG 100 HG2 ARG 100 -2.532 -0.108 -11.161 729 2HG ARG 100 HG1 ARG 100 -2.891 -0.059 -12.887 730 1HD ARG 100 HD2 ARG 100 -2.888 2.380 -11.117 731 2HD ARG 100 HD1 ARG 100 -1.480 1.836 -12.030 732 HE ARG 100 HE ARG 100 -3.957 2.328 -13.496 733 1HH1 ARG 100 1HH1 ARG 100 -0.730 3.390 -12.663 734 2HH1 ARG 100 2HH1 ARG 100 -0.636 4.520 -13.971 735 1HH2 ARG 100 1HH2 ARG 100 -3.827 3.813 -15.206 736 2HH2 ARG 100 2HH2 ARG 100 -2.393 4.764 -15.411 737 H GLU 101 HN GLU 101 -6.898 1.224 -13.869 738 HA GLU 101 HA GLU 101 -5.062 2.133 -15.856 739 1HB GLU 101 HB2 GLU 101 -6.223 -0.266 -16.485 740 2HB GLU 101 HB1 GLU 101 -7.337 0.872 -17.229 741 1HG GLU 101 HG2 GLU 101 -5.345 1.928 -18.339 742 2HG GLU 101 HG1 GLU 101 -4.397 0.562 -17.756 743 H LEU 102 HN LEU 102 -5.758 4.107 -14.906 744 HA LEU 102 HA LEU 102 -8.504 4.881 -14.985 745 1HB LEU 102 HB2 LEU 102 -5.948 6.327 -14.382 746 2HB LEU 102 HB1 LEU 102 -7.468 7.191 -14.499 747 HG LEU 102 HG LEU 102 -8.370 6.024 -12.624 748 1HD1 LEU 102 1HD1 LEU 102 -7.135 4.253 -11.455 749 2HD1 LEU 102 2HD1 LEU 102 -5.895 4.302 -12.708 750 3HD1 LEU 102 3HD1 LEU 102 -7.536 3.795 -13.110 751 1HD2 LEU 102 1HD2 LEU 102 -5.502 6.644 -11.953 752 2HD2 LEU 102 2HD2 LEU 102 -6.897 6.712 -10.874 753 3HD2 LEU 102 3HD2 LEU 102 -6.747 7.869 -12.196 754 HA PRO 103 HA PRO 103 -7.039 7.778 -18.646 755 1HB PRO 103 HB2 PRO 103 -4.645 6.277 -19.550 756 2HB PRO 103 HB1 PRO 103 -4.908 8.021 -19.451 757 1HG PRO 103 HG2 PRO 103 -3.333 6.767 -17.702 758 2HG PRO 103 HG1 PRO 103 -4.381 8.108 -17.202 759 1HD PRO 103 HD2 PRO 103 -4.740 5.168 -16.800 760 2HD PRO 103 HD1 PRO 103 -5.114 6.515 -15.710 761 H GLU 104 HN GLU 104 -7.890 7.444 -20.661 762 HA GLU 104 HA GLU 104 -8.867 4.807 -21.240 763 1HB GLU 104 HB2 GLU 104 -9.541 7.475 -21.972 764 2HB GLU 104 HB1 GLU 104 -9.261 6.571 -23.453 765 1HG GLU 104 HG2 GLU 104 -10.848 4.848 -22.637 766 2HG GLU 104 HG1 GLU 104 -11.195 5.883 -21.253 767 H LEU 105 HN LEU 105 -7.877 3.300 -22.406 768 HA LEU 105 HA LEU 105 -5.576 4.086 -24.042 769 1HB LEU 105 HB2 LEU 105 -6.096 1.907 -22.274 770 2HB LEU 105 HB1 LEU 105 -5.818 1.259 -23.879 771 HG LEU 105 HG LEU 105 -3.900 3.271 -22.782 772 1HD1 LEU 105 1HD1 LEU 105 -3.561 1.971 -20.986 773 2HD1 LEU 105 2HD1 LEU 105 -2.711 0.924 -22.124 774 3HD1 LEU 105 3HD1 LEU 105 -4.390 0.587 -21.701 775 1HD2 LEU 105 1HD2 LEU 105 -2.678 2.674 -24.543 776 2HD2 LEU 105 2HD2 LEU 105 -4.090 1.790 -25.123 777 3HD2 LEU 105 3HD2 LEU 105 -2.857 0.958 -24.175 778 H THR 106 HN THR 106 -5.665 4.036 -26.184 779 HA THR 106 HA THR 106 -7.778 2.440 -27.471 780 HB THR 106 HB THR 106 -7.664 4.372 -29.240 781 HG1 THR 106 HG1 THR 106 -7.355 6.395 -27.993 782 1HG2 THR 106 1HG2 THR 106 -9.160 4.297 -26.683 783 2HG2 THR 106 2HG2 THR 106 -9.745 4.239 -28.347 784 3HG2 THR 106 3HG2 THR 106 -9.230 5.774 -27.646 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -21.798 3.547 3.119 2 2H GLY 1 HT2 GLY 1 -20.593 3.361 4.293 3 3H GLY 1 HT3 GLY 1 -20.179 3.846 2.726 4 1HA GLY 1 HA1 GLY 1 -21.981 5.729 3.439 5 2HA GLY 1 HA2 GLY 1 -21.140 5.407 4.948 6 H SER 2 HN SER 2 -18.610 4.752 3.782 7 HA SER 2 HA SER 2 -17.744 7.461 3.093 8 1HB SER 2 HB2 SER 2 -16.273 5.046 4.151 9 2HB SER 2 HB1 SER 2 -15.435 6.489 3.575 10 HG SER 2 HG SER 2 -15.732 7.117 5.567 11 H HIS 3 HN HIS 3 -15.803 7.553 1.576 12 HA HIS 3 HA HIS 3 -15.911 5.539 -0.538 13 1HB HIS 3 HB2 HIS 3 -16.104 7.296 -2.279 14 2HB HIS 3 HB1 HIS 3 -17.534 7.191 -1.259 15 HD2 HIS 3 HD2 HIS 3 -14.546 9.229 0.145 16 HE1 HIS 3 HE1 HIS 3 -17.512 11.965 -1.168 17 HE2 HIS 3 HE2 HIS 3 -15.351 11.687 0.098 18 H MET 4 HN MET 4 -14.278 6.438 -2.375 19 HA MET 4 HA MET 4 -11.772 6.911 -0.923 20 1HB MET 4 HB2 MET 4 -12.234 5.808 -3.700 21 2HB MET 4 HB1 MET 4 -10.665 6.003 -2.934 22 1HG MET 4 HG2 MET 4 -12.538 4.472 -1.318 23 2HG MET 4 HG1 MET 4 -12.218 3.744 -2.891 24 1HE MET 4 HE1 MET 4 -9.845 3.375 -3.830 25 2HE MET 4 HE2 MET 4 -10.330 1.905 -2.984 26 3HE MET 4 HE3 MET 4 -8.693 2.532 -2.794 27 H GLN 5 HN GLN 5 -10.123 8.246 -2.005 28 HA GLN 5 HA GLN 5 -11.346 10.668 -3.048 29 1HB GLN 5 HB2 GLN 5 -9.347 10.300 -1.258 30 2HB GLN 5 HB1 GLN 5 -8.410 10.535 -2.725 31 1HG GLN 5 HG2 GLN 5 -8.774 12.721 -2.707 32 2HG GLN 5 HG1 GLN 5 -10.511 12.497 -2.509 33 1HE2 GLN 5 1HE2 GLN 5 -7.809 11.603 -0.406 34 2HE2 GLN 5 2HE2 GLN 5 -8.334 12.528 0.956 35 H ALA 6 HN ALA 6 -8.609 8.559 -3.945 36 HA ALA 6 HA ALA 6 -8.437 9.702 -6.576 37 1HB ALA 6 HB1 ALA 6 -6.623 8.490 -5.030 38 2HB ALA 6 HB2 ALA 6 -6.486 8.571 -6.787 39 3HB ALA 6 HB3 ALA 6 -7.119 7.116 -6.018 40 H THR 7 HN THR 7 -8.626 8.419 -8.558 41 HA THR 7 HA THR 7 -10.898 6.564 -8.380 42 HB THR 7 HB THR 7 -10.741 7.148 -11.019 43 HG1 THR 7 HG1 THR 7 -9.059 8.612 -10.795 44 1HG2 THR 7 1HG2 THR 7 -12.631 7.522 -9.267 45 2HG2 THR 7 2HG2 THR 7 -12.622 8.428 -10.781 46 3HG2 THR 7 3HG2 THR 7 -12.051 9.187 -9.294 47 H TRP 8 HN TRP 8 -10.917 4.649 -9.614 48 HA TRP 8 HA TRP 8 -8.436 3.824 -10.896 49 1HB TRP 8 HB2 TRP 8 -9.686 2.304 -8.602 50 2HB TRP 8 HB1 TRP 8 -8.415 1.674 -9.645 51 HD1 TRP 8 HD1 TRP 8 -8.971 4.592 -7.166 52 HE1 TRP 8 HE1 TRP 8 -6.708 5.135 -6.061 53 HE3 TRP 8 HE3 TRP 8 -5.990 1.352 -9.776 54 HZ2 TRP 8 HZ2 TRP 8 -4.015 4.299 -6.271 55 HZ3 TRP 8 HZ3 TRP 8 -3.593 1.296 -9.267 56 HH2 TRP 8 HH2 TRP 8 -2.620 2.729 -7.554 57 H LYS 9 HN LYS 9 -8.680 1.673 -11.954 58 HA LYS 9 HA LYS 9 -11.405 0.876 -12.585 59 1HB LYS 9 HB2 LYS 9 -10.744 0.902 -15.079 60 2HB LYS 9 HB1 LYS 9 -11.213 2.421 -14.331 61 1HG LYS 9 HG2 LYS 9 -8.442 2.220 -13.969 62 2HG LYS 9 HG1 LYS 9 -8.757 1.707 -15.628 63 1HD LYS 9 HD2 LYS 9 -8.813 3.880 -16.145 64 2HD LYS 9 HD1 LYS 9 -10.374 3.927 -15.321 65 1HE LYS 9 HE2 LYS 9 -7.950 4.167 -13.639 66 2HE LYS 9 HE1 LYS 9 -8.341 5.536 -14.678 67 1HZ LYS 9 HZ1 LYS 9 -9.365 5.157 -12.235 68 2HZ LYS 9 HZ2 LYS 9 -10.575 4.458 -13.187 69 3HZ LYS 9 HZ3 LYS 9 -10.121 6.066 -13.448 70 H GLU 10 HN GLU 10 -9.015 -0.213 -11.238 71 HA GLU 10 HA GLU 10 -7.701 -2.090 -12.822 72 1HB GLU 10 HB2 GLU 10 -8.236 -2.748 -9.971 73 2HB GLU 10 HB1 GLU 10 -6.754 -2.912 -10.900 74 1HG GLU 10 HG2 GLU 10 -6.868 -0.276 -10.886 75 2HG GLU 10 HG1 GLU 10 -7.830 -0.567 -9.438 76 H LYS 11 HN LYS 11 -8.053 -4.171 -13.385 77 HA LYS 11 HA LYS 11 -10.737 -5.097 -13.501 78 1HB LYS 11 HB2 LYS 11 -8.122 -6.509 -14.084 79 2HB LYS 11 HB1 LYS 11 -9.707 -7.168 -14.454 80 1HG LYS 11 HG2 LYS 11 -10.143 -5.377 -16.004 81 2HG LYS 11 HG1 LYS 11 -8.616 -4.602 -15.579 82 1HD LYS 11 HD2 LYS 11 -7.413 -6.597 -16.403 83 2HD LYS 11 HD1 LYS 11 -8.957 -7.296 -16.896 84 1HE LYS 11 HE2 LYS 11 -9.322 -5.481 -18.451 85 2HE LYS 11 HE1 LYS 11 -7.857 -4.672 -17.898 86 1HZ LYS 11 HZ1 LYS 11 -7.299 -5.765 -19.887 87 2HZ LYS 11 HZ2 LYS 11 -8.069 -7.198 -19.428 88 3HZ LYS 11 HZ3 LYS 11 -6.641 -6.725 -18.658 89 H ASP 12 HN ASP 12 -10.260 -7.928 -12.944 90 HA ASP 12 HA ASP 12 -9.908 -7.839 -10.031 91 1HB ASP 12 HB2 ASP 12 -12.253 -8.676 -11.588 92 2HB ASP 12 HB1 ASP 12 -11.755 -9.837 -10.361 93 H GLY 13 HN GLY 13 -8.249 -8.778 -12.418 94 1HA GLY 13 HA2 GLY 13 -7.985 -11.614 -11.700 95 2HA GLY 13 HA1 GLY 13 -7.340 -10.861 -13.149 96 H ALA 14 HN ALA 14 -5.348 -11.965 -12.578 97 HA ALA 14 HA ALA 14 -3.932 -11.333 -10.197 98 1HB ALA 14 HB1 ALA 14 -2.390 -12.818 -10.910 99 2HB ALA 14 HB2 ALA 14 -2.400 -12.204 -12.563 100 3HB ALA 14 HB3 ALA 14 -3.684 -13.279 -12.016 101 H VAL 15 HN VAL 15 -1.388 -10.738 -10.945 102 HA VAL 15 HA VAL 15 -1.495 -7.898 -11.314 103 HB VAL 15 HB VAL 15 0.266 -8.941 -9.956 104 1HG1 VAL 15 1HG1 VAL 15 0.994 -10.199 -12.563 105 2HG1 VAL 15 2HG1 VAL 15 0.869 -10.929 -10.963 106 3HG1 VAL 15 3HG1 VAL 15 2.237 -9.887 -11.352 107 1HG2 VAL 15 1HG2 VAL 15 1.962 -7.745 -11.990 108 2HG2 VAL 15 2HG2 VAL 15 1.601 -7.206 -10.353 109 3HG2 VAL 15 3HG2 VAL 15 0.505 -6.804 -11.670 110 H GLU 16 HN GLU 16 -0.662 -6.671 -13.098 111 HA GLU 16 HA GLU 16 -0.129 -8.168 -15.537 112 1HB GLU 16 HB2 GLU 16 -2.340 -6.212 -15.136 113 2HB GLU 16 HB1 GLU 16 -1.497 -6.197 -16.674 114 1HG GLU 16 HG2 GLU 16 -1.950 -8.731 -16.688 115 2HG GLU 16 HG1 GLU 16 -3.142 -8.366 -15.440 116 H ALA 17 HN ALA 17 0.802 -6.782 -17.211 117 HA ALA 17 HA ALA 17 3.170 -5.824 -16.912 118 1HB ALA 17 HB1 ALA 17 1.055 -4.946 -18.661 119 2HB ALA 17 HB2 ALA 17 2.772 -5.172 -18.994 120 3HB ALA 17 HB3 ALA 17 2.195 -3.640 -18.336 121 H GLU 18 HN GLU 18 0.809 -3.139 -16.667 122 HA GLU 18 HA GLU 18 2.479 -2.063 -14.480 123 1HB GLU 18 HB2 GLU 18 0.855 -0.487 -16.479 124 2HB GLU 18 HB1 GLU 18 1.909 0.173 -15.237 125 1HG GLU 18 HG2 GLU 18 3.830 -0.423 -16.355 126 2HG GLU 18 HG1 GLU 18 3.027 -1.698 -17.270 127 H ASP 19 HN ASP 19 0.982 -3.428 -13.144 128 HA ASP 19 HA ASP 19 -1.671 -2.252 -12.742 129 1HB ASP 19 HB2 ASP 19 -0.363 -4.815 -11.866 130 2HB ASP 19 HB1 ASP 19 -1.911 -4.288 -11.222 131 H ARG 20 HN ARG 20 -2.293 -2.761 -10.224 132 HA ARG 20 HA ARG 20 -0.260 -1.655 -8.454 133 1HB ARG 20 HB2 ARG 20 -2.914 -0.403 -9.064 134 2HB ARG 20 HB1 ARG 20 -2.177 -0.184 -7.483 135 1HG ARG 20 HG2 ARG 20 -0.323 0.338 -9.658 136 2HG ARG 20 HG1 ARG 20 -1.748 1.373 -9.711 137 1HD ARG 20 HD2 ARG 20 -1.211 1.562 -7.110 138 2HD ARG 20 HD1 ARG 20 0.413 1.217 -7.689 139 HE ARG 20 HE ARG 20 -0.426 3.201 -9.330 140 1HH1 ARG 20 1HH1 ARG 20 -0.296 2.862 -5.858 141 2HH1 ARG 20 2HH1 ARG 20 -0.065 4.555 -5.578 142 1HH2 ARG 20 1HH2 ARG 20 -0.126 5.428 -8.959 143 2HH2 ARG 20 2HH2 ARG 20 0.028 6.010 -7.336 144 H VAL 21 HN VAL 21 -0.127 -3.083 -6.830 145 HA VAL 21 HA VAL 21 -2.436 -4.712 -6.093 146 HB VAL 21 HB VAL 21 -0.808 -5.989 -4.736 147 1HG1 VAL 21 1HG1 VAL 21 0.284 -5.644 -7.517 148 2HG1 VAL 21 2HG1 VAL 21 -1.255 -6.442 -7.194 149 3HG1 VAL 21 3HG1 VAL 21 0.240 -7.109 -6.531 150 1HG2 VAL 21 1HG2 VAL 21 0.772 -3.647 -5.143 151 2HG2 VAL 21 2HG2 VAL 21 1.635 -5.045 -5.785 152 3HG2 VAL 21 3HG2 VAL 21 1.090 -5.037 -4.107 153 H THR 22 HN THR 22 -2.701 -5.185 -3.701 154 HA THR 22 HA THR 22 -2.247 -2.749 -2.094 155 HB THR 22 HB THR 22 -4.583 -4.674 -1.966 156 HG1 THR 22 HG1 THR 22 -5.762 -3.028 -2.772 157 1HG2 THR 22 1HG2 THR 22 -3.541 -2.943 0.052 158 2HG2 THR 22 2HG2 THR 22 -4.944 -4.015 0.109 159 3HG2 THR 22 3HG2 THR 22 -5.122 -2.361 -0.478 160 H ILE 23 HN ILE 23 -0.683 -3.187 -0.641 161 HA ILE 23 HA ILE 23 -0.692 -5.866 0.597 162 HB ILE 23 HB ILE 23 1.742 -5.807 0.680 163 1HG1 ILE 23 2HG1 ILE 23 1.436 -3.206 -0.812 164 2HG1 ILE 23 1HG1 ILE 23 2.139 -3.446 0.785 165 1HG2 ILE 23 1HG2 ILE 23 1.487 -5.307 -2.170 166 2HG2 ILE 23 2HG2 ILE 23 0.196 -6.328 -1.538 167 3HG2 ILE 23 3HG2 ILE 23 1.886 -6.800 -1.315 168 1HD1 ILE 23 1HD1 ILE 23 3.472 -5.059 -1.171 169 2HD1 ILE 23 2HD1 ILE 23 4.128 -3.843 -0.078 170 3HD1 ILE 23 3HD1 ILE 23 3.470 -3.362 -1.643 171 H ASP 24 HN ASP 24 0.233 -6.051 2.669 172 HA ASP 24 HA ASP 24 0.423 -3.558 4.244 173 1HB ASP 24 HB2 ASP 24 -0.493 -4.904 6.175 174 2HB ASP 24 HB1 ASP 24 -1.658 -4.613 4.890 175 H PHE 25 HN PHE 25 2.452 -3.403 5.170 176 HA PHE 25 HA PHE 25 3.837 -5.900 5.842 177 1HB PHE 25 HB2 PHE 25 5.849 -5.272 4.704 178 2HB PHE 25 HB1 PHE 25 4.516 -5.181 3.558 179 HD1 PHE 25 HD1 PHE 25 4.178 -3.271 2.307 180 HD2 PHE 25 HD2 PHE 25 6.578 -3.064 5.820 181 HE1 PHE 25 HE1 PHE 25 4.752 -0.944 1.787 182 HE2 PHE 25 HE2 PHE 25 7.148 -0.722 5.288 183 HZ PHE 25 HZ PHE 25 6.224 0.332 3.262 184 H THR 26 HN THR 26 5.932 -5.497 6.971 185 HA THR 26 HA THR 26 6.101 -3.014 8.473 186 HB THR 26 HB THR 26 5.725 -5.660 9.889 187 HG1 THR 26 HG1 THR 26 3.805 -4.491 10.673 188 1HG2 THR 26 1HG2 THR 26 5.862 -4.547 11.926 189 2HG2 THR 26 2HG2 THR 26 5.726 -2.957 11.173 190 3HG2 THR 26 3HG2 THR 26 7.206 -3.897 10.986 191 H GLY 27 HN GLY 27 8.196 -2.467 8.428 192 1HA GLY 27 HA2 GLY 27 10.229 -4.390 9.174 193 2HA GLY 27 HA1 GLY 27 10.306 -3.890 7.496 194 H SER 28 HN SER 28 12.466 -3.439 8.965 195 HA SER 28 HA SER 28 12.365 -0.591 9.725 196 1HB SER 28 HB2 SER 28 14.761 -1.380 10.681 197 2HB SER 28 HB1 SER 28 13.267 -1.520 11.609 198 HG SER 28 HG SER 28 13.519 -3.594 11.566 199 H VAL 29 HN VAL 29 14.472 0.589 9.349 200 HA VAL 29 HA VAL 29 15.556 -0.126 6.719 201 HB VAL 29 HB VAL 29 14.321 1.857 6.374 202 1HG1 VAL 29 1HG1 VAL 29 14.089 3.632 7.776 203 2HG1 VAL 29 2HG1 VAL 29 15.709 3.466 8.447 204 3HG1 VAL 29 3HG1 VAL 29 14.422 2.377 8.965 205 1HG2 VAL 29 1HG2 VAL 29 16.817 3.325 6.702 206 2HG2 VAL 29 2HG2 VAL 29 15.902 2.949 5.243 207 3HG2 VAL 29 3HG2 VAL 29 17.018 1.762 5.913 208 H ASP 30 HN ASP 30 16.503 1.998 9.438 209 HA ASP 30 HA ASP 30 19.263 1.127 9.045 210 1HB ASP 30 HB2 ASP 30 18.167 3.615 9.596 211 2HB ASP 30 HB1 ASP 30 18.804 3.099 11.154 212 H GLY 31 HN GLY 31 17.369 -0.708 10.118 213 1HA GLY 31 HA2 GLY 31 17.784 -2.391 11.732 214 2HA GLY 31 HA1 GLY 31 18.643 -1.207 12.708 215 H GLU 32 HN GLU 32 16.201 0.608 11.956 216 HA GLU 32 HA GLU 32 14.272 -0.543 13.841 217 1HB GLU 32 HB2 GLU 32 15.339 2.285 13.943 218 2HB GLU 32 HB1 GLU 32 14.021 1.664 14.927 219 1HG GLU 32 HG2 GLU 32 15.506 0.124 16.029 220 2HG GLU 32 HG1 GLU 32 16.833 0.592 14.967 221 H GLU 33 HN GLU 33 12.222 -0.349 13.201 222 HA GLU 33 HA GLU 33 11.526 0.474 10.649 223 1HB GLU 33 HB2 GLU 33 9.179 0.284 11.448 224 2HB GLU 33 HB1 GLU 33 10.167 -1.117 11.830 225 1HG GLU 33 HG2 GLU 33 9.809 -0.885 14.002 226 2HG GLU 33 HG1 GLU 33 10.221 0.830 13.963 227 H PHE 34 HN PHE 34 11.467 2.439 9.830 228 HA PHE 34 HA PHE 34 11.327 4.762 11.484 229 1HB PHE 34 HB2 PHE 34 11.816 5.964 9.416 230 2HB PHE 34 HB1 PHE 34 12.935 4.636 9.668 231 HD1 PHE 34 HD1 PHE 34 11.161 6.308 7.280 232 HD2 PHE 34 HD2 PHE 34 12.005 2.323 8.497 233 HE1 PHE 34 HE1 PHE 34 10.674 5.511 5.006 234 HE2 PHE 34 HE2 PHE 34 11.514 1.519 6.230 235 HZ PHE 34 HZ PHE 34 10.848 3.113 4.478 236 H GLU 35 HN GLU 35 10.001 6.004 8.944 237 HA GLU 35 HA GLU 35 7.422 6.252 10.141 238 1HB GLU 35 HB2 GLU 35 6.855 7.654 8.195 239 2HB GLU 35 HB1 GLU 35 8.353 8.154 8.964 240 1HG GLU 35 HG2 GLU 35 9.062 8.242 6.836 241 2HG GLU 35 HG1 GLU 35 9.353 6.531 7.107 242 H GLY 36 HN GLY 36 8.590 4.800 7.105 243 1HA GLY 36 HA2 GLY 36 5.994 3.580 6.629 244 2HA GLY 36 HA1 GLY 36 7.399 3.485 5.580 245 H GLY 37 HN GLY 37 8.113 2.806 8.831 246 1HA GLY 37 HA2 GLY 37 8.969 0.206 8.299 247 2HA GLY 37 HA1 GLY 37 8.709 0.878 9.896 248 H LYS 38 HN LYS 38 5.789 1.279 8.632 249 HA LYS 38 HA LYS 38 4.860 -1.452 8.724 250 1HB LYS 38 HB2 LYS 38 3.267 -1.083 10.547 251 2HB LYS 38 HB1 LYS 38 4.925 -0.896 11.098 252 1HG LYS 38 HG2 LYS 38 4.608 1.227 11.699 253 2HG LYS 38 HG1 LYS 38 3.702 1.610 10.234 254 1HD LYS 38 HD2 LYS 38 2.327 -0.139 12.168 255 2HD LYS 38 HD1 LYS 38 2.612 1.519 12.706 256 1HE LYS 38 HE2 LYS 38 0.570 1.731 11.671 257 2HE LYS 38 HE1 LYS 38 1.665 2.133 10.349 258 1HZ LYS 38 HZ1 LYS 38 0.708 0.526 9.191 259 2HZ LYS 38 HZ2 LYS 38 -0.216 0.030 10.517 260 3HZ LYS 38 HZ3 LYS 38 1.330 -0.612 10.277 261 H ALA 39 HN ALA 39 3.409 -1.659 7.191 262 HA ALA 39 HA ALA 39 1.591 0.571 6.603 263 1HB ALA 39 HB1 ALA 39 2.835 0.893 4.742 264 2HB ALA 39 HB2 ALA 39 1.904 -0.480 4.135 265 3HB ALA 39 HB3 ALA 39 3.524 -0.733 4.792 266 H SER 40 HN SER 40 -0.461 -0.022 5.886 267 HA SER 40 HA SER 40 -1.071 -2.889 6.166 268 1HB SER 40 HB2 SER 40 -3.383 -2.101 6.817 269 2HB SER 40 HB1 SER 40 -2.107 -1.702 7.967 270 HG SER 40 HG SER 40 -3.219 0.158 7.697 271 H ASP 41 HN ASP 41 -2.385 0.062 4.607 272 HA ASP 41 HA ASP 41 -3.275 -1.585 2.378 273 1HB ASP 41 HB2 ASP 41 -4.090 1.246 3.088 274 2HB ASP 41 HB1 ASP 41 -4.782 0.240 1.820 275 H PHE 42 HN PHE 42 -0.897 -1.591 1.847 276 HA PHE 42 HA PHE 42 0.109 0.948 0.833 277 1HB PHE 42 HB2 PHE 42 1.544 -0.718 2.133 278 2HB PHE 42 HB1 PHE 42 1.495 -1.727 0.696 279 HD1 PHE 42 HD1 PHE 42 3.705 -1.710 -0.089 280 HD2 PHE 42 HD2 PHE 42 1.795 1.959 0.944 281 HE1 PHE 42 HE1 PHE 42 5.596 -0.452 -1.035 282 HE2 PHE 42 HE2 PHE 42 3.688 3.215 0.009 283 HZ PHE 42 HZ PHE 42 5.592 2.010 -0.983 284 H VAL 43 HN VAL 43 -0.675 1.525 -1.108 285 HA VAL 43 HA VAL 43 -1.413 -0.470 -3.061 286 HB VAL 43 HB VAL 43 -1.408 2.534 -3.327 287 1HG1 VAL 43 1HG1 VAL 43 -1.765 0.545 -5.250 288 2HG1 VAL 43 2HG1 VAL 43 -2.179 2.255 -5.400 289 3HG1 VAL 43 3HG1 VAL 43 -3.394 1.097 -4.859 290 1HG2 VAL 43 1HG2 VAL 43 -3.013 2.464 -1.768 291 2HG2 VAL 43 2HG2 VAL 43 -3.208 0.717 -1.909 292 3HG2 VAL 43 3HG2 VAL 43 -4.024 1.790 -3.047 293 H LEU 44 HN LEU 44 0.420 -1.433 -3.810 294 HA LEU 44 HA LEU 44 2.646 0.197 -4.713 295 1HB LEU 44 HB2 LEU 44 2.403 -2.366 -3.661 296 2HB LEU 44 HB1 LEU 44 2.800 -2.631 -5.348 297 HG LEU 44 HG LEU 44 4.414 -1.177 -3.269 298 1HD1 LEU 44 1HD1 LEU 44 4.507 -3.695 -3.578 299 2HD1 LEU 44 2HD1 LEU 44 6.029 -2.817 -3.662 300 3HD1 LEU 44 3HD1 LEU 44 5.253 -3.364 -5.143 301 1HD2 LEU 44 1HD2 LEU 44 4.477 -0.932 -6.232 302 2HD2 LEU 44 2HD2 LEU 44 6.010 -0.975 -5.361 303 3HD2 LEU 44 3HD2 LEU 44 4.818 0.272 -4.989 304 H ALA 45 HN ALA 45 3.225 0.526 -6.782 305 HA ALA 45 HA ALA 45 1.280 -0.262 -8.830 306 1HB ALA 45 HB1 ALA 45 2.127 1.532 -10.162 307 2HB ALA 45 HB2 ALA 45 3.495 1.766 -9.072 308 3HB ALA 45 HB3 ALA 45 1.862 2.151 -8.533 309 H MET 46 HN MET 46 1.832 -2.213 -9.663 310 HA MET 46 HA MET 46 4.504 -3.140 -9.855 311 1HB MET 46 HB2 MET 46 1.854 -4.171 -10.377 312 2HB MET 46 HB1 MET 46 2.969 -4.638 -11.657 313 1HG MET 46 HG2 MET 46 3.864 -4.958 -8.850 314 2HG MET 46 HG1 MET 46 2.657 -6.080 -9.466 315 1HE MET 46 HE1 MET 46 6.228 -4.736 -9.626 316 2HE MET 46 HE2 MET 46 5.787 -4.345 -11.289 317 3HE MET 46 HE3 MET 46 6.975 -5.607 -10.966 318 H GLY 47 HN GLY 47 5.500 -1.390 -10.924 319 1HA GLY 47 HA2 GLY 47 6.725 -1.041 -12.956 320 2HA GLY 47 HA1 GLY 47 5.342 -1.645 -13.852 321 H GLN 48 HN GLN 48 6.287 1.037 -11.719 322 HA GLN 48 HA GLN 48 4.728 2.836 -13.455 323 1HB GLN 48 HB2 GLN 48 3.997 2.256 -10.912 324 2HB GLN 48 HB1 GLN 48 5.055 3.629 -10.623 325 1HG GLN 48 HG2 GLN 48 3.118 4.007 -12.790 326 2HG GLN 48 HG1 GLN 48 2.411 3.794 -11.189 327 1HE2 GLN 48 1HE2 GLN 48 3.365 5.166 -9.460 328 2HE2 GLN 48 2HE2 GLN 48 3.789 6.790 -9.869 329 H GLY 49 HN GLY 49 7.001 3.148 -10.720 330 1HA GLY 49 HA2 GLY 49 8.446 5.197 -12.247 331 2HA GLY 49 HA1 GLY 49 8.572 4.922 -10.514 332 H ARG 50 HN ARG 50 9.195 2.382 -10.200 333 HA ARG 50 HA ARG 50 10.967 1.166 -11.963 334 1HB ARG 50 HB2 ARG 50 13.146 1.710 -11.029 335 2HB ARG 50 HB1 ARG 50 12.364 3.168 -11.617 336 1HG ARG 50 HG2 ARG 50 12.659 4.115 -9.643 337 2HG ARG 50 HG1 ARG 50 11.650 2.873 -8.901 338 1HD ARG 50 HD2 ARG 50 13.919 3.087 -7.894 339 2HD ARG 50 HD1 ARG 50 13.546 1.477 -8.496 340 HE ARG 50 HE ARG 50 15.297 3.418 -9.849 341 1HH1 ARG 50 1HH1 ARG 50 14.299 0.116 -9.252 342 2HH1 ARG 50 2HH1 ARG 50 15.625 -0.565 -10.130 343 1HH2 ARG 50 1HH2 ARG 50 17.033 2.507 -10.994 344 2HH2 ARG 50 2HH2 ARG 50 17.170 0.786 -11.115 345 H MET 51 HN MET 51 9.310 -0.241 -10.786 346 HA MET 51 HA MET 51 9.410 -0.970 -8.150 347 1HB MET 51 HB2 MET 51 7.992 -1.885 -10.171 348 2HB MET 51 HB1 MET 51 9.224 -3.138 -10.201 349 1HG MET 51 HG2 MET 51 7.864 -4.173 -8.761 350 2HG MET 51 HG1 MET 51 8.616 -3.111 -7.574 351 1HE MET 51 HE1 MET 51 7.439 -0.746 -6.760 352 2HE MET 51 HE2 MET 51 5.980 -0.144 -7.546 353 3HE MET 51 HE3 MET 51 7.467 -0.334 -8.475 354 H ILE 52 HN ILE 52 11.146 -1.385 -6.951 355 HA ILE 52 HA ILE 52 13.594 -2.359 -8.023 356 HB ILE 52 HB ILE 52 14.020 -2.817 -5.438 357 1HG1 ILE 52 2HG1 ILE 52 11.855 -0.706 -5.360 358 2HG1 ILE 52 1HG1 ILE 52 11.622 -2.376 -4.853 359 1HG2 ILE 52 1HG2 ILE 52 14.627 -0.357 -5.250 360 2HG2 ILE 52 2HG2 ILE 52 13.965 -0.184 -6.875 361 3HG2 ILE 52 3HG2 ILE 52 15.334 -1.258 -6.590 362 1HD1 ILE 52 1HD1 ILE 52 13.610 -0.470 -3.643 363 2HD1 ILE 52 2HD1 ILE 52 13.238 -2.104 -3.089 364 3HD1 ILE 52 3HD1 ILE 52 12.017 -0.836 -2.979 365 HA PRO 53 HA PRO 53 13.250 -6.736 -8.014 366 1HB PRO 53 HB2 PRO 53 15.578 -6.821 -6.155 367 2HB PRO 53 HB1 PRO 53 15.346 -7.636 -7.706 368 1HG PRO 53 HG2 PRO 53 16.949 -5.516 -7.507 369 2HG PRO 53 HG1 PRO 53 15.926 -5.760 -8.933 370 1HD PRO 53 HD2 PRO 53 15.581 -3.869 -6.653 371 2HD PRO 53 HD1 PRO 53 15.174 -3.658 -8.368 372 H GLY 54 HN GLY 54 13.542 -5.010 -5.001 373 1HA GLY 54 HA2 GLY 54 12.917 -7.109 -3.227 374 2HA GLY 54 HA1 GLY 54 12.715 -5.394 -2.910 375 H PHE 55 HN PHE 55 10.786 -4.444 -4.275 376 HA PHE 55 HA PHE 55 8.474 -5.736 -3.284 377 1HB PHE 55 HB2 PHE 55 8.885 -3.355 -5.088 378 2HB PHE 55 HB1 PHE 55 7.280 -3.944 -4.682 379 HD1 PHE 55 HD1 PHE 55 6.806 -4.181 -2.096 380 HD2 PHE 55 HD2 PHE 55 9.838 -1.723 -3.792 381 HE1 PHE 55 HE1 PHE 55 6.824 -2.827 -0.072 382 HE2 PHE 55 HE2 PHE 55 9.858 -0.348 -1.751 383 HZ PHE 55 HZ PHE 55 8.348 -0.898 0.111 384 H GLU 56 HN GLU 56 9.893 -5.366 -6.487 385 HA GLU 56 HA GLU 56 7.871 -6.465 -8.035 386 1HB GLU 56 HB2 GLU 56 10.197 -5.405 -8.656 387 2HB GLU 56 HB1 GLU 56 10.732 -7.080 -8.658 388 1HG GLU 56 HG2 GLU 56 8.578 -7.357 -10.186 389 2HG GLU 56 HG1 GLU 56 8.919 -5.659 -10.514 390 H ASP 57 HN ASP 57 10.018 -8.008 -5.811 391 HA ASP 57 HA ASP 57 9.700 -10.648 -6.907 392 1HB ASP 57 HB2 ASP 57 11.625 -9.623 -5.389 393 2HB ASP 57 HB1 ASP 57 10.611 -10.249 -4.098 394 H GLY 58 HN GLY 58 8.964 -9.593 -3.569 395 1HA GLY 58 HA2 GLY 58 7.058 -11.631 -3.182 396 2HA GLY 58 HA1 GLY 58 7.266 -10.217 -2.161 397 H ILE 59 HN ILE 59 6.566 -8.149 -3.610 398 HA ILE 59 HA ILE 59 3.738 -8.440 -3.920 399 HB ILE 59 HB ILE 59 5.428 -5.982 -4.422 400 1HG1 ILE 59 2HG1 ILE 59 4.780 -5.539 -1.949 401 2HG1 ILE 59 1HG1 ILE 59 4.615 -7.272 -1.832 402 1HG2 ILE 59 1HG2 ILE 59 2.563 -6.570 -4.065 403 2HG2 ILE 59 2HG2 ILE 59 3.359 -5.289 -4.979 404 3HG2 ILE 59 3HG2 ILE 59 3.164 -5.137 -3.232 405 1HD1 ILE 59 1HD1 ILE 59 6.822 -7.551 -1.747 406 2HD1 ILE 59 2HD1 ILE 59 6.887 -5.825 -1.400 407 3HD1 ILE 59 3HD1 ILE 59 7.099 -6.402 -3.047 408 H LYS 60 HN LYS 60 5.160 -9.849 -5.728 409 HA LYS 60 HA LYS 60 5.467 -8.730 -8.308 410 1HB LYS 60 HB2 LYS 60 5.009 -11.443 -7.256 411 2HB LYS 60 HB1 LYS 60 4.334 -11.191 -8.860 412 1HG LYS 60 HG2 LYS 60 6.669 -10.203 -9.405 413 2HG LYS 60 HG1 LYS 60 7.179 -11.088 -7.967 414 1HD LYS 60 HD2 LYS 60 6.670 -13.155 -8.911 415 2HD LYS 60 HD1 LYS 60 5.599 -12.444 -10.122 416 1HE LYS 60 HE2 LYS 60 7.747 -11.274 -10.972 417 2HE LYS 60 HE1 LYS 60 8.592 -12.515 -10.049 418 1HZ LYS 60 HZ1 LYS 60 7.825 -14.177 -11.411 419 2HZ LYS 60 HZ2 LYS 60 8.020 -12.919 -12.525 420 3HZ LYS 60 HZ3 LYS 60 6.480 -13.297 -11.939 421 H GLY 61 HN GLY 61 2.733 -10.243 -6.752 422 1HA GLY 61 HA2 GLY 61 0.546 -9.135 -6.674 423 2HA GLY 61 HA1 GLY 61 0.860 -8.587 -8.319 424 H HIS 62 HN HIS 62 1.519 -11.697 -6.910 425 HA HIS 62 HA HIS 62 -0.474 -12.923 -8.719 426 1HB HIS 62 HB2 HIS 62 1.076 -14.837 -8.994 427 2HB HIS 62 HB1 HIS 62 1.733 -13.332 -9.627 428 HD2 HIS 62 HD2 HIS 62 2.335 -13.092 -5.969 429 HE1 HIS 62 HE1 HIS 62 5.692 -15.201 -7.481 430 HE2 HIS 62 HE2 HIS 62 4.783 -13.824 -5.577 431 H LYS 63 HN LYS 63 -0.233 -12.266 -5.672 432 HA LYS 63 HA LYS 63 -1.476 -14.767 -4.850 433 1HB LYS 63 HB2 LYS 63 0.973 -13.588 -3.563 434 2HB LYS 63 HB1 LYS 63 -0.115 -14.660 -2.697 435 1HG LYS 63 HG2 LYS 63 1.126 -15.446 -5.305 436 2HG LYS 63 HG1 LYS 63 1.940 -15.698 -3.759 437 1HD LYS 63 HD2 LYS 63 -0.543 -16.703 -3.249 438 2HD LYS 63 HD1 LYS 63 -0.333 -17.119 -4.951 439 1HE LYS 63 HE2 LYS 63 2.076 -17.838 -3.991 440 2HE LYS 63 HE1 LYS 63 1.085 -18.109 -2.557 441 1HZ LYS 63 HZ1 LYS 63 0.394 -19.203 -5.223 442 2HZ LYS 63 HZ2 LYS 63 -0.273 -19.626 -3.727 443 3HZ LYS 63 HZ3 LYS 63 1.322 -20.054 -4.094 444 H ALA 64 HN ALA 64 -3.364 -13.403 -4.892 445 HA ALA 64 HA ALA 64 -3.674 -11.082 -3.354 446 1HB ALA 64 HB1 ALA 64 -5.494 -13.010 -4.667 447 2HB ALA 64 HB2 ALA 64 -5.389 -11.257 -4.829 448 3HB ALA 64 HB3 ALA 64 -6.184 -11.966 -3.424 449 H GLY 65 HN GLY 65 -2.928 -11.245 -1.245 450 1HA GLY 65 HA2 GLY 65 -3.703 -11.476 1.009 451 2HA GLY 65 HA1 GLY 65 -4.598 -12.905 0.518 452 H GLU 66 HN GLU 66 -1.236 -12.247 -0.264 453 HA GLU 66 HA GLU 66 -0.477 -14.688 1.172 454 1HB GLU 66 HB2 GLU 66 0.093 -14.505 -1.215 455 2HB GLU 66 HB1 GLU 66 1.064 -13.085 -0.872 456 1HG GLU 66 HG2 GLU 66 2.575 -14.859 -1.071 457 2HG GLU 66 HG1 GLU 66 2.432 -14.562 0.657 458 H GLU 67 HN GLU 67 1.556 -14.709 2.370 459 HA GLU 67 HA GLU 67 2.270 -12.084 3.499 460 1HB GLU 67 HB2 GLU 67 0.901 -13.504 5.069 461 2HB GLU 67 HB1 GLU 67 2.213 -14.678 5.051 462 1HG GLU 67 HG2 GLU 67 3.724 -13.060 6.013 463 2HG GLU 67 HG1 GLU 67 2.477 -11.815 5.942 464 H PHE 68 HN PHE 68 4.236 -11.646 2.714 465 HA PHE 68 HA PHE 68 6.316 -13.715 2.964 466 1HB PHE 68 HB2 PHE 68 7.193 -12.951 0.719 467 2HB PHE 68 HB1 PHE 68 5.678 -13.855 0.669 468 HD1 PHE 68 HD1 PHE 68 3.703 -12.886 -0.165 469 HD2 PHE 68 HD2 PHE 68 7.143 -10.487 0.534 470 HE1 PHE 68 HE1 PHE 68 2.613 -11.003 -1.316 471 HE2 PHE 68 HE2 PHE 68 6.060 -8.596 -0.624 472 HZ PHE 68 HZ PHE 68 3.792 -8.863 -1.553 473 H THR 69 HN THR 69 8.532 -12.765 2.657 474 HA THR 69 HA THR 69 8.639 -9.988 3.614 475 HB THR 69 HB THR 69 10.530 -12.169 4.499 476 HG1 THR 69 HG1 THR 69 8.066 -11.361 5.559 477 1HG2 THR 69 1HG2 THR 69 10.089 -9.344 5.359 478 2HG2 THR 69 2HG2 THR 69 11.593 -10.163 4.941 479 3HG2 THR 69 3HG2 THR 69 10.777 -10.536 6.459 480 H ILE 70 HN ILE 70 9.990 -8.652 2.498 481 HA ILE 70 HA ILE 70 12.127 -9.915 0.931 482 HB ILE 70 HB ILE 70 11.621 -8.692 -1.066 483 1HG1 ILE 70 2HG1 ILE 70 10.650 -6.685 0.087 484 2HG1 ILE 70 1HG1 ILE 70 9.751 -7.210 -1.329 485 1HG2 ILE 70 1HG2 ILE 70 10.192 -10.819 -0.174 486 2HG2 ILE 70 2HG2 ILE 70 10.100 -10.160 -1.806 487 3HG2 ILE 70 3HG2 ILE 70 8.905 -9.690 -0.599 488 1HD1 ILE 70 1HD1 ILE 70 8.357 -8.525 0.483 489 2HD1 ILE 70 2HD1 ILE 70 8.041 -6.831 0.111 490 3HD1 ILE 70 3HD1 ILE 70 8.992 -7.257 1.534 491 H ASP 71 HN ASP 71 13.643 -8.261 0.021 492 HA ASP 71 HA ASP 71 14.110 -6.205 2.047 493 1HB ASP 71 HB2 ASP 71 16.359 -6.029 0.936 494 2HB ASP 71 HB1 ASP 71 16.027 -7.617 1.624 495 H VAL 72 HN VAL 72 14.397 -3.996 1.413 496 HA VAL 72 HA VAL 72 13.865 -3.363 -1.380 497 HB VAL 72 HB VAL 72 12.223 -1.545 -0.582 498 1HG1 VAL 72 1HG1 VAL 72 11.524 -3.331 -2.021 499 2HG1 VAL 72 2HG1 VAL 72 10.303 -3.110 -0.763 500 3HG1 VAL 72 3HG1 VAL 72 11.440 -4.455 -0.663 501 1HG2 VAL 72 1HG2 VAL 72 10.980 -1.955 1.391 502 2HG2 VAL 72 2HG2 VAL 72 12.685 -1.994 1.840 503 3HG2 VAL 72 3HG2 VAL 72 11.783 -3.500 1.660 504 H THR 73 HN THR 73 14.948 -1.572 -2.061 505 HA THR 73 HA THR 73 15.853 0.400 -0.152 506 HB THR 73 HB THR 73 17.713 -1.386 -1.725 507 HG1 THR 73 HG1 THR 73 18.289 -2.028 0.178 508 1HG2 THR 73 1HG2 THR 73 18.072 1.432 -1.240 509 2HG2 THR 73 2HG2 THR 73 19.068 0.308 -2.164 510 3HG2 THR 73 3HG2 THR 73 19.306 0.473 -0.424 511 H PHE 74 HN PHE 74 15.484 2.333 -1.088 512 HA PHE 74 HA PHE 74 14.881 2.398 -3.902 513 1HB PHE 74 HB2 PHE 74 14.656 4.423 -1.690 514 2HB PHE 74 HB1 PHE 74 14.263 4.790 -3.368 515 HD1 PHE 74 HD1 PHE 74 13.560 1.981 -0.987 516 HD2 PHE 74 HD2 PHE 74 12.039 4.758 -3.819 517 HE1 PHE 74 HE1 PHE 74 11.309 1.023 -0.709 518 HE2 PHE 74 HE2 PHE 74 9.783 3.819 -3.544 519 HZ PHE 74 HZ PHE 74 9.414 1.950 -1.987 520 HA PRO 75 HA PRO 75 18.944 3.730 -5.076 521 1HB PRO 75 HB2 PRO 75 18.361 4.463 -7.626 522 2HB PRO 75 HB1 PRO 75 18.546 2.781 -7.113 523 1HG PRO 75 HG2 PRO 75 16.049 4.366 -7.559 524 2HG PRO 75 HG1 PRO 75 16.404 2.682 -7.980 525 1HD PRO 75 HD2 PRO 75 14.934 3.387 -5.813 526 2HD PRO 75 HD1 PRO 75 15.934 1.920 -5.868 527 H GLU 76 HN GLU 76 19.791 5.640 -6.554 528 HA GLU 76 HA GLU 76 19.155 8.039 -5.130 529 1HB GLU 76 HB2 GLU 76 21.088 7.413 -7.353 530 2HB GLU 76 HB1 GLU 76 20.900 9.031 -6.689 531 1HG GLU 76 HG2 GLU 76 21.307 7.788 -4.412 532 2HG GLU 76 HG1 GLU 76 22.081 6.599 -5.459 533 H GLU 77 HN GLU 77 17.918 6.617 -7.960 534 HA GLU 77 HA GLU 77 17.234 9.141 -9.213 535 1HB GLU 77 HB2 GLU 77 16.161 7.754 -10.943 536 2HB GLU 77 HB1 GLU 77 17.835 7.295 -10.663 537 1HG GLU 77 HG2 GLU 77 17.091 5.406 -9.308 538 2HG GLU 77 HG1 GLU 77 15.412 5.864 -9.594 539 H TYR 78 HN TYR 78 15.702 6.661 -7.269 540 HA TYR 78 HA TYR 78 13.021 7.503 -7.664 541 1HB TYR 78 HB2 TYR 78 14.034 5.321 -6.553 542 2HB TYR 78 HB1 TYR 78 13.883 6.268 -5.079 543 HD1 TYR 78 HD1 TYR 78 12.229 4.139 -7.361 544 HD2 TYR 78 HD2 TYR 78 11.543 7.285 -4.580 545 HE1 TYR 78 HE1 TYR 78 9.864 3.495 -7.231 546 HE2 TYR 78 HE2 TYR 78 9.173 6.652 -4.440 547 HH TYR 78 HH TYR 78 7.651 5.060 -4.965 548 H HIS 79 HN HIS 79 14.956 7.787 -4.711 549 HA HIS 79 HA HIS 79 14.685 9.215 -2.935 550 1HB HIS 79 HB2 HIS 79 15.525 10.815 -5.318 551 2HB HIS 79 HB1 HIS 79 15.346 11.590 -3.745 552 HD2 HIS 79 HD2 HIS 79 16.704 8.073 -3.321 553 HE1 HIS 79 HE1 HIS 79 20.068 10.666 -3.378 554 HE2 HIS 79 HE2 HIS 79 19.260 8.312 -2.984 555 H ALA 80 HN ALA 80 12.209 8.692 -3.106 556 HA ALA 80 HA ALA 80 10.520 10.821 -3.998 557 1HB ALA 80 HB1 ALA 80 8.718 9.580 -2.856 558 2HB ALA 80 HB2 ALA 80 9.925 8.478 -2.209 559 3HB ALA 80 HB3 ALA 80 9.661 8.563 -3.947 560 H GLU 81 HN GLU 81 9.376 12.299 -2.763 561 HA GLU 81 HA GLU 81 10.741 13.631 -0.784 562 1HB GLU 81 HB2 GLU 81 7.750 13.640 -1.176 563 2HB GLU 81 HB1 GLU 81 8.704 14.892 -0.397 564 1HG GLU 81 HG2 GLU 81 9.666 15.576 -2.416 565 2HG GLU 81 HG1 GLU 81 9.170 14.105 -3.251 566 H ASN 82 HN ASN 82 8.612 10.875 -0.365 567 HA ASN 82 HA ASN 82 8.450 11.394 2.497 568 1HB ASN 82 HB2 ASN 82 6.906 9.445 2.540 569 2HB ASN 82 HB1 ASN 82 6.385 10.755 1.486 570 1HD2 ASN 82 1HD2 ASN 82 8.124 7.689 1.466 571 2HD2 ASN 82 2HD2 ASN 82 7.588 7.190 -0.098 572 H LEU 83 HN LEU 83 9.897 8.934 0.360 573 HA LEU 83 HA LEU 83 11.371 7.997 2.724 574 1HB LEU 83 HB2 LEU 83 11.006 5.745 2.317 575 2HB LEU 83 HB1 LEU 83 9.441 6.481 2.071 576 HG LEU 83 HG LEU 83 9.453 5.071 0.290 577 1HD1 LEU 83 1HD1 LEU 83 9.610 7.529 -0.537 578 2HD1 LEU 83 2HD1 LEU 83 9.701 6.200 -1.687 579 3HD1 LEU 83 3HD1 LEU 83 11.173 7.018 -1.166 580 1HD2 LEU 83 1HD2 LEU 83 12.352 5.392 -0.324 581 2HD2 LEU 83 2HD2 LEU 83 11.268 4.055 -0.669 582 3HD2 LEU 83 3HD2 LEU 83 11.815 4.329 0.978 583 H LYS 84 HN LYS 84 11.953 9.644 0.233 584 HA LYS 84 HA LYS 84 13.497 8.704 -1.675 585 1HB LYS 84 HB2 LYS 84 15.115 10.603 -1.317 586 2HB LYS 84 HB1 LYS 84 13.421 11.053 -1.393 587 1HG LYS 84 HG2 LYS 84 13.308 11.494 0.894 588 2HG LYS 84 HG1 LYS 84 14.781 10.581 1.232 589 1HD LYS 84 HD2 LYS 84 15.897 12.361 -0.319 590 2HD LYS 84 HD1 LYS 84 14.466 13.317 0.069 591 1HE LYS 84 HE2 LYS 84 16.059 13.944 1.671 592 2HE LYS 84 HE1 LYS 84 14.995 12.817 2.511 593 1HZ LYS 84 HZ1 LYS 84 17.793 12.549 1.811 594 2HZ LYS 84 HZ2 LYS 84 16.861 11.162 1.556 595 3HZ LYS 84 HZ3 LYS 84 16.926 11.864 3.093 596 H GLY 85 HN GLY 85 15.119 7.366 -1.997 597 1HA GLY 85 HA2 GLY 85 16.823 5.883 -1.592 598 2HA GLY 85 HA1 GLY 85 17.559 7.252 -0.783 599 H LYS 86 HN LYS 86 14.876 5.025 0.008 600 HA LYS 86 HA LYS 86 16.021 4.774 2.689 601 1HB LYS 86 HB2 LYS 86 13.452 5.217 1.932 602 2HB LYS 86 HB1 LYS 86 13.439 3.477 2.169 603 1HG LYS 86 HG2 LYS 86 12.764 4.629 4.184 604 2HG LYS 86 HG1 LYS 86 14.290 3.785 4.438 605 1HD LYS 86 HD2 LYS 86 14.634 5.865 5.441 606 2HD LYS 86 HD1 LYS 86 15.390 6.042 3.858 607 1HE LYS 86 HE2 LYS 86 12.793 6.810 3.389 608 2HE LYS 86 HE1 LYS 86 13.099 7.431 5.011 609 1HZ LYS 86 HZ1 LYS 86 15.307 8.229 3.850 610 2HZ LYS 86 HZ2 LYS 86 13.890 9.151 3.781 611 3HZ LYS 86 HZ3 LYS 86 14.331 8.182 2.467 612 H ALA 87 HN ALA 87 17.652 3.274 2.420 613 HA ALA 87 HA ALA 87 17.149 0.728 1.149 614 1HB ALA 87 HB1 ALA 87 19.408 0.217 1.586 615 2HB ALA 87 HB2 ALA 87 19.500 1.381 2.907 616 3HB ALA 87 HB3 ALA 87 19.395 1.947 1.241 617 H ALA 88 HN ALA 88 15.435 -0.175 2.313 618 HA ALA 88 HA ALA 88 16.074 -0.900 5.098 619 1HB ALA 88 HB1 ALA 88 14.010 -0.283 5.853 620 2HB ALA 88 HB2 ALA 88 13.242 -0.557 4.290 621 3HB ALA 88 HB3 ALA 88 14.223 0.883 4.548 622 H LYS 89 HN LYS 89 14.183 -2.441 5.827 623 HA LYS 89 HA LYS 89 14.016 -4.720 3.963 624 1HB LYS 89 HB2 LYS 89 14.931 -4.633 6.813 625 2HB LYS 89 HB1 LYS 89 14.023 -6.039 6.274 626 1HG LYS 89 HG2 LYS 89 16.143 -6.757 5.871 627 2HG LYS 89 HG1 LYS 89 15.786 -6.003 4.316 628 1HD LYS 89 HD2 LYS 89 17.793 -5.012 4.718 629 2HD LYS 89 HD1 LYS 89 16.762 -3.871 5.584 630 1HE LYS 89 HE2 LYS 89 18.268 -4.264 7.233 631 2HE LYS 89 HE1 LYS 89 17.188 -5.618 7.554 632 1HZ LYS 89 HZ1 LYS 89 19.601 -6.186 7.467 633 2HZ LYS 89 HZ2 LYS 89 19.583 -5.820 5.816 634 3HZ LYS 89 HZ3 LYS 89 18.633 -7.086 6.410 635 H PHE 90 HN PHE 90 11.970 -5.728 3.942 636 HA PHE 90 HA PHE 90 9.990 -4.768 5.889 637 1HB PHE 90 HB2 PHE 90 9.512 -4.869 2.907 638 2HB PHE 90 HB1 PHE 90 8.278 -4.581 4.122 639 HD1 PHE 90 HD1 PHE 90 8.388 -2.841 1.989 640 HD2 PHE 90 HD2 PHE 90 10.765 -2.793 5.491 641 HE1 PHE 90 HE1 PHE 90 8.683 -0.392 1.755 642 HE2 PHE 90 HE2 PHE 90 11.083 -0.363 5.275 643 HZ PHE 90 HZ PHE 90 10.036 0.843 3.398 644 H ALA 91 HN ALA 91 8.123 -6.138 6.129 645 HA ALA 91 HA ALA 91 8.330 -8.774 4.868 646 1HB ALA 91 HB1 ALA 91 7.771 -9.851 6.867 647 2HB ALA 91 HB2 ALA 91 7.128 -8.376 7.590 648 3HB ALA 91 HB3 ALA 91 8.870 -8.592 7.427 649 H ILE 92 HN ILE 92 6.817 -8.539 3.360 650 HA ILE 92 HA ILE 92 4.419 -7.001 3.960 651 HB ILE 92 HB ILE 92 5.385 -8.020 1.302 652 1HG1 ILE 92 2HG1 ILE 92 6.120 -5.576 2.860 653 2HG1 ILE 92 1HG1 ILE 92 7.133 -6.638 1.919 654 1HG2 ILE 92 1HG2 ILE 92 3.296 -6.026 2.096 655 2HG2 ILE 92 2HG2 ILE 92 3.117 -7.491 1.129 656 3HG2 ILE 92 3HG2 ILE 92 3.974 -6.099 0.468 657 1HD1 ILE 92 1HD1 ILE 92 5.647 -4.249 1.123 658 2HD1 ILE 92 2HD1 ILE 92 5.568 -5.593 -0.017 659 3HD1 ILE 92 3HD1 ILE 92 7.131 -4.939 0.469 660 H ASN 93 HN ASN 93 2.400 -7.562 3.036 661 HA ASN 93 HA ASN 93 1.881 -10.403 2.614 662 1HB ASN 93 HB2 ASN 93 1.316 -9.948 4.964 663 2HB ASN 93 HB1 ASN 93 0.288 -8.611 4.465 664 1HD2 ASN 93 1HD2 ASN 93 -1.647 -9.071 3.332 665 2HD2 ASN 93 2HD2 ASN 93 -2.407 -10.616 3.477 666 H LEU 94 HN LEU 94 1.300 -10.320 0.502 667 HA LEU 94 HA LEU 94 0.096 -8.102 -0.745 668 1HB LEU 94 HB2 LEU 94 1.439 -9.929 -1.834 669 2HB LEU 94 HB1 LEU 94 0.011 -10.942 -1.734 670 HG LEU 94 HG LEU 94 -1.188 -9.181 -3.100 671 1HD1 LEU 94 1HD1 LEU 94 0.817 -8.004 -4.514 672 2HD1 LEU 94 2HD1 LEU 94 1.470 -7.966 -2.876 673 3HD1 LEU 94 3HD1 LEU 94 -0.094 -7.227 -3.220 674 1HD2 LEU 94 1HD2 LEU 94 1.035 -10.110 -4.790 675 2HD2 LEU 94 2HD2 LEU 94 -0.704 -10.350 -4.962 676 3HD2 LEU 94 3HD2 LEU 94 0.221 -11.357 -3.845 677 H LYS 95 HN LYS 95 -2.007 -7.964 -1.776 678 HA LYS 95 HA LYS 95 -4.086 -9.712 -0.769 679 1HB LYS 95 HB2 LYS 95 -3.937 -6.788 -0.062 680 2HB LYS 95 HB1 LYS 95 -5.462 -7.657 -0.080 681 1HG LYS 95 HG2 LYS 95 -3.134 -8.649 1.517 682 2HG LYS 95 HG1 LYS 95 -4.224 -7.412 2.145 683 1HD LYS 95 HD2 LYS 95 -5.248 -10.015 1.048 684 2HD LYS 95 HD1 LYS 95 -4.738 -9.850 2.730 685 1HE LYS 95 HE2 LYS 95 -6.783 -8.066 1.422 686 2HE LYS 95 HE1 LYS 95 -7.197 -9.532 2.312 687 1HZ LYS 95 HZ1 LYS 95 -5.471 -7.633 3.683 688 2HZ LYS 95 HZ2 LYS 95 -6.744 -8.569 4.285 689 3HZ LYS 95 HZ3 LYS 95 -7.071 -7.141 3.440 690 H LYS 96 HN LYS 96 -5.212 -6.648 -1.738 691 HA LYS 96 HA LYS 96 -6.439 -7.765 -4.039 692 1HB LYS 96 HB2 LYS 96 -6.316 -4.953 -2.970 693 2HB LYS 96 HB1 LYS 96 -7.196 -5.373 -4.432 694 1HG LYS 96 HG2 LYS 96 -8.022 -7.202 -2.464 695 2HG LYS 96 HG1 LYS 96 -8.004 -5.611 -1.700 696 1HD LYS 96 HD2 LYS 96 -9.420 -4.716 -3.446 697 2HD LYS 96 HD1 LYS 96 -9.366 -6.250 -4.316 698 1HE LYS 96 HE2 LYS 96 -10.237 -7.060 -1.876 699 2HE LYS 96 HE1 LYS 96 -10.954 -5.453 -1.974 700 1HZ LYS 96 HZ1 LYS 96 -11.608 -7.850 -3.435 701 2HZ LYS 96 HZ2 LYS 96 -11.492 -6.471 -4.407 702 3HZ LYS 96 HZ3 LYS 96 -12.562 -6.492 -3.097 703 H VAL 97 HN VAL 97 -5.181 -8.324 -5.717 704 HA VAL 97 HA VAL 97 -3.374 -6.302 -6.843 705 HB VAL 97 HB VAL 97 -2.099 -8.233 -6.334 706 1HG1 VAL 97 1HG1 VAL 97 -4.558 -9.651 -6.978 707 2HG1 VAL 97 2HG1 VAL 97 -3.229 -10.116 -5.915 708 3HG1 VAL 97 3HG1 VAL 97 -3.123 -10.428 -7.647 709 1HG2 VAL 97 1HG2 VAL 97 -2.477 -7.433 -9.000 710 2HG2 VAL 97 2HG2 VAL 97 -2.373 -9.192 -9.032 711 3HG2 VAL 97 3HG2 VAL 97 -1.074 -8.244 -8.311 712 H GLU 98 HN GLU 98 -4.528 -5.210 -8.344 713 HA GLU 98 HA GLU 98 -6.087 -6.789 -10.285 714 1HB GLU 98 HB2 GLU 98 -6.668 -4.003 -9.276 715 2HB GLU 98 HB1 GLU 98 -7.604 -4.863 -10.489 716 1HG GLU 98 HG2 GLU 98 -8.888 -5.499 -8.788 717 2HG GLU 98 HG1 GLU 98 -7.592 -6.632 -8.410 718 H GLU 99 HN GLU 99 -6.626 -4.814 -12.150 719 HA GLU 99 HA GLU 99 -3.927 -4.077 -13.060 720 1HB GLU 99 HB2 GLU 99 -5.037 -5.906 -14.363 721 2HB GLU 99 HB1 GLU 99 -6.274 -4.746 -14.828 722 1HG GLU 99 HG2 GLU 99 -3.661 -3.686 -15.370 723 2HG GLU 99 HG1 GLU 99 -3.848 -5.274 -16.112 724 H ARG 100 HN ARG 100 -3.942 -2.003 -12.258 725 HA ARG 100 HA ARG 100 -6.058 -0.155 -12.678 726 1HB ARG 100 HB2 ARG 100 -4.444 1.543 -11.937 727 2HB ARG 100 HB1 ARG 100 -4.452 0.144 -10.872 728 1HG ARG 100 HG2 ARG 100 -2.289 -0.189 -11.193 729 2HG ARG 100 HG1 ARG 100 -2.503 -0.219 -12.943 730 1HD ARG 100 HD2 ARG 100 -2.361 2.337 -11.362 731 2HD ARG 100 HD1 ARG 100 -0.931 1.539 -12.015 732 HE ARG 100 HE ARG 100 -3.121 2.267 -13.824 733 1HH1 ARG 100 1HH1 ARG 100 0.175 2.730 -12.746 734 2HH1 ARG 100 2HH1 ARG 100 0.626 3.656 -14.135 735 1HH2 ARG 100 1HH2 ARG 100 -2.518 3.495 -15.646 736 2HH2 ARG 100 2HH2 ARG 100 -0.896 4.091 -15.775 737 H GLU 101 HN GLU 101 -5.741 1.921 -13.844 738 HA GLU 101 HA GLU 101 -3.958 2.159 -16.014 739 1HB GLU 101 HB2 GLU 101 -5.455 0.334 -16.884 740 2HB GLU 101 HB1 GLU 101 -6.791 1.476 -16.817 741 1HG GLU 101 HG2 GLU 101 -5.226 2.955 -18.281 742 2HG GLU 101 HG1 GLU 101 -4.431 1.421 -18.635 743 H LEU 102 HN LEU 102 -4.208 4.001 -14.312 744 HA LEU 102 HA LEU 102 -6.409 5.782 -14.639 745 1HB LEU 102 HB2 LEU 102 -3.757 5.912 -13.262 746 2HB LEU 102 HB1 LEU 102 -4.744 7.352 -13.411 747 HG LEU 102 HG LEU 102 -6.543 6.285 -12.156 748 1HD1 LEU 102 1HD1 LEU 102 -4.959 3.888 -12.654 749 2HD1 LEU 102 2HD1 LEU 102 -6.664 4.051 -12.243 750 3HD1 LEU 102 3HD1 LEU 102 -5.444 4.061 -10.972 751 1HD2 LEU 102 1HD2 LEU 102 -3.862 6.037 -10.822 752 2HD2 LEU 102 2HD2 LEU 102 -5.418 6.171 -10.000 753 3HD2 LEU 102 3HD2 LEU 102 -4.812 7.517 -10.966 754 HA PRO 103 HA PRO 103 -5.100 8.081 -18.178 755 1HB PRO 103 HB2 PRO 103 -6.195 10.508 -17.615 756 2HB PRO 103 HB1 PRO 103 -7.150 9.118 -18.144 757 1HG PRO 103 HG2 PRO 103 -6.717 10.177 -15.379 758 2HG PRO 103 HG1 PRO 103 -8.215 9.602 -16.134 759 1HD PRO 103 HD2 PRO 103 -6.774 8.074 -14.435 760 2HD PRO 103 HD1 PRO 103 -7.679 7.383 -15.797 761 H GLU 104 HN GLU 104 -3.081 8.742 -18.521 762 HA GLU 104 HA GLU 104 -1.548 10.060 -16.481 763 1HB GLU 104 HB2 GLU 104 -1.033 8.689 -18.976 764 2HB GLU 104 HB1 GLU 104 -0.118 10.190 -18.890 765 1HG GLU 104 HG2 GLU 104 0.836 9.503 -16.762 766 2HG GLU 104 HG1 GLU 104 -0.105 8.013 -16.812 767 H LEU 105 HN LEU 105 -2.327 12.086 -16.082 768 HA LEU 105 HA LEU 105 -2.742 13.925 -18.305 769 1HB LEU 105 HB2 LEU 105 -3.830 13.640 -15.708 770 2HB LEU 105 HB1 LEU 105 -2.992 15.180 -15.738 771 HG LEU 105 HG LEU 105 -4.633 14.803 -18.108 772 1HD1 LEU 105 1HD1 LEU 105 -6.742 15.293 -16.619 773 2HD1 LEU 105 2HD1 LEU 105 -5.842 14.356 -15.426 774 3HD1 LEU 105 3HD1 LEU 105 -6.250 13.640 -16.985 775 1HD2 LEU 105 1HD2 LEU 105 -4.339 16.867 -15.945 776 2HD2 LEU 105 2HD2 LEU 105 -5.552 17.008 -17.219 777 3HD2 LEU 105 3HD2 LEU 105 -3.838 16.959 -17.633 778 H THR 106 HN THR 106 -0.833 14.597 -19.114 779 HA THR 106 HA THR 106 0.947 16.039 -17.279 780 HB THR 106 HB THR 106 2.093 13.979 -17.609 781 HG1 THR 106 HG1 THR 106 3.810 15.095 -17.974 782 1HG2 THR 106 1HG2 THR 106 1.141 12.873 -19.395 783 2HG2 THR 106 2HG2 THR 106 2.725 13.331 -20.022 784 3HG2 THR 106 3HG2 THR 106 1.296 14.261 -20.471 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -14.930 22.859 -9.288 2 2H GLY 1 HT2 GLY 1 -13.327 23.080 -9.783 3 3H GLY 1 HT3 GLY 1 -13.770 23.401 -8.182 4 1HA GLY 1 HA1 GLY 1 -12.555 21.249 -8.562 5 2HA GLY 1 HA2 GLY 1 -14.060 21.156 -7.661 6 H SER 2 HN SER 2 -12.835 19.004 -9.045 7 HA SER 2 HA SER 2 -15.008 18.362 -10.900 8 1HB SER 2 HB2 SER 2 -12.079 17.869 -11.494 9 2HB SER 2 HB1 SER 2 -13.434 17.340 -12.490 10 HG SER 2 HG SER 2 -13.725 19.335 -13.186 11 H HIS 3 HN HIS 3 -12.168 17.120 -9.165 12 HA HIS 3 HA HIS 3 -13.761 14.786 -8.381 13 1HB HIS 3 HB2 HIS 3 -11.650 13.397 -8.646 14 2HB HIS 3 HB1 HIS 3 -12.438 13.897 -10.140 15 HD2 HIS 3 HD2 HIS 3 -11.084 16.155 -11.420 16 HE1 HIS 3 HE1 HIS 3 -7.386 15.225 -9.555 17 HE2 HIS 3 HE2 HIS 3 -8.517 16.473 -11.430 18 H MET 4 HN MET 4 -12.885 13.663 -6.480 19 HA MET 4 HA MET 4 -11.338 15.486 -4.757 20 1HB MET 4 HB2 MET 4 -12.623 14.423 -2.844 21 2HB MET 4 HB1 MET 4 -13.534 15.505 -3.886 22 1HG MET 4 HG2 MET 4 -14.195 13.334 -5.138 23 2HG MET 4 HG1 MET 4 -13.684 12.534 -3.652 24 1HE MET 4 HE1 MET 4 -15.035 11.739 -2.376 25 2HE MET 4 HE2 MET 4 -16.774 11.840 -2.657 26 3HE MET 4 HE3 MET 4 -16.051 12.679 -1.283 27 H GLN 5 HN GLN 5 -12.292 12.063 -5.093 28 HA GLN 5 HA GLN 5 -9.804 11.272 -3.785 29 1HB GLN 5 HB2 GLN 5 -10.788 8.985 -3.845 30 2HB GLN 5 HB1 GLN 5 -11.772 10.152 -2.972 31 1HG GLN 5 HG2 GLN 5 -13.471 10.026 -4.440 32 2HG GLN 5 HG1 GLN 5 -12.403 9.824 -5.828 33 1HE2 GLN 5 1HE2 GLN 5 -14.693 8.341 -4.040 34 2HE2 GLN 5 2HE2 GLN 5 -14.294 6.688 -4.349 35 H ALA 6 HN ALA 6 -9.061 8.984 -4.844 36 HA ALA 6 HA ALA 6 -8.072 9.752 -7.452 37 1HB ALA 6 HB1 ALA 6 -7.108 8.188 -5.320 38 2HB ALA 6 HB2 ALA 6 -6.295 8.575 -6.837 39 3HB ALA 6 HB3 ALA 6 -7.269 7.112 -6.706 40 H THR 7 HN THR 7 -8.208 8.421 -9.329 41 HA THR 7 HA THR 7 -10.723 6.905 -9.452 42 HB THR 7 HB THR 7 -10.626 8.805 -10.961 43 HG1 THR 7 HG1 THR 7 -11.722 7.197 -11.916 44 1HG2 THR 7 1HG2 THR 7 -8.322 9.171 -11.324 45 2HG2 THR 7 2HG2 THR 7 -9.024 8.751 -12.886 46 3HG2 THR 7 3HG2 THR 7 -8.099 7.551 -11.984 47 H TRP 8 HN TRP 8 -10.797 4.827 -10.182 48 HA TRP 8 HA TRP 8 -8.329 3.595 -11.159 49 1HB TRP 8 HB2 TRP 8 -9.947 2.639 -8.798 50 2HB TRP 8 HB1 TRP 8 -8.791 1.617 -9.652 51 HD1 TRP 8 HD1 TRP 8 -8.807 5.024 -7.811 52 HE1 TRP 8 HE1 TRP 8 -6.531 5.311 -6.661 53 HE3 TRP 8 HE3 TRP 8 -6.517 0.749 -9.451 54 HZ2 TRP 8 HZ2 TRP 8 -4.080 3.912 -6.466 55 HZ3 TRP 8 HZ3 TRP 8 -4.222 0.310 -8.730 56 HH2 TRP 8 HH2 TRP 8 -3.019 1.847 -7.280 57 H LYS 9 HN LYS 9 -8.629 1.555 -12.204 58 HA LYS 9 HA LYS 9 -11.342 0.776 -12.906 59 1HB LYS 9 HB2 LYS 9 -10.948 0.886 -15.297 60 2HB LYS 9 HB1 LYS 9 -10.700 2.478 -14.592 61 1HG LYS 9 HG2 LYS 9 -8.288 2.145 -14.658 62 2HG LYS 9 HG1 LYS 9 -8.523 0.532 -15.332 63 1HD LYS 9 HD2 LYS 9 -9.980 2.453 -16.886 64 2HD LYS 9 HD1 LYS 9 -8.302 2.971 -16.719 65 1HE LYS 9 HE2 LYS 9 -7.489 0.960 -17.663 66 2HE LYS 9 HE1 LYS 9 -9.064 0.178 -17.532 67 1HZ LYS 9 HZ1 LYS 9 -9.906 1.820 -19.155 68 2HZ LYS 9 HZ2 LYS 9 -8.706 0.812 -19.790 69 3HZ LYS 9 HZ3 LYS 9 -8.330 2.401 -19.355 70 H GLU 10 HN GLU 10 -9.059 -0.338 -11.413 71 HA GLU 10 HA GLU 10 -7.839 -2.339 -13.002 72 1HB GLU 10 HB2 GLU 10 -6.917 -3.184 -10.939 73 2HB GLU 10 HB1 GLU 10 -6.811 -1.432 -10.963 74 1HG GLU 10 HG2 GLU 10 -9.053 -1.539 -9.660 75 2HG GLU 10 HG1 GLU 10 -8.558 -3.194 -9.313 76 H LYS 11 HN LYS 11 -8.325 -4.378 -13.401 77 HA LYS 11 HA LYS 11 -10.997 -5.272 -13.101 78 1HB LYS 11 HB2 LYS 11 -8.607 -6.970 -13.832 79 2HB LYS 11 HB1 LYS 11 -10.289 -7.240 -14.272 80 1HG LYS 11 HG2 LYS 11 -10.279 -5.423 -15.789 81 2HG LYS 11 HG1 LYS 11 -8.722 -4.845 -15.190 82 1HD LYS 11 HD2 LYS 11 -7.538 -6.444 -16.314 83 2HD LYS 11 HD1 LYS 11 -8.862 -7.611 -16.268 84 1HE LYS 11 HE2 LYS 11 -10.021 -5.833 -17.834 85 2HE LYS 11 HE1 LYS 11 -8.352 -5.378 -18.173 86 1HZ LYS 11 HZ1 LYS 11 -9.418 -8.138 -18.436 87 2HZ LYS 11 HZ2 LYS 11 -7.884 -7.595 -18.900 88 3HZ LYS 11 HZ3 LYS 11 -9.258 -7.051 -19.723 89 H ASP 12 HN ASP 12 -10.056 -8.142 -12.570 90 HA ASP 12 HA ASP 12 -9.532 -7.962 -9.702 91 1HB ASP 12 HB2 ASP 12 -11.850 -9.437 -10.957 92 2HB ASP 12 HB1 ASP 12 -11.317 -9.686 -9.297 93 H GLY 13 HN GLY 13 -8.136 -8.906 -12.245 94 1HA GLY 13 HA2 GLY 13 -7.762 -11.740 -11.598 95 2HA GLY 13 HA1 GLY 13 -7.208 -10.932 -13.056 96 H ALA 14 HN ALA 14 -5.180 -12.057 -12.604 97 HA ALA 14 HA ALA 14 -3.644 -11.478 -10.291 98 1HB ALA 14 HB1 ALA 14 -2.586 -12.396 -12.956 99 2HB ALA 14 HB2 ALA 14 -3.357 -13.466 -11.786 100 3HB ALA 14 HB3 ALA 14 -1.862 -12.631 -11.364 101 H VAL 15 HN VAL 15 -1.177 -10.757 -11.014 102 HA VAL 15 HA VAL 15 -1.376 -7.920 -11.370 103 HB VAL 15 HB VAL 15 0.413 -8.930 -10.004 104 1HG1 VAL 15 1HG1 VAL 15 2.096 -10.257 -10.811 105 2HG1 VAL 15 2HG1 VAL 15 1.935 -9.647 -12.457 106 3HG1 VAL 15 3HG1 VAL 15 0.752 -10.789 -11.820 107 1HG2 VAL 15 1HG2 VAL 15 1.062 -7.102 -12.269 108 2HG2 VAL 15 2HG2 VAL 15 2.331 -7.621 -11.169 109 3HG2 VAL 15 3HG2 VAL 15 0.930 -6.755 -10.547 110 H GLU 16 HN GLU 16 -0.585 -6.658 -13.149 111 HA GLU 16 HA GLU 16 0.006 -8.145 -15.584 112 1HB GLU 16 HB2 GLU 16 -2.194 -6.133 -15.241 113 2HB GLU 16 HB1 GLU 16 -1.418 -6.348 -16.799 114 1HG GLU 16 HG2 GLU 16 -1.954 -8.878 -16.341 115 2HG GLU 16 HG1 GLU 16 -3.185 -8.189 -15.284 116 H ALA 17 HN ALA 17 0.881 -6.716 -17.260 117 HA ALA 17 HA ALA 17 3.223 -5.695 -16.954 118 1HB ALA 17 HB1 ALA 17 1.559 -5.340 -18.958 119 2HB ALA 17 HB2 ALA 17 3.041 -4.396 -18.821 120 3HB ALA 17 HB3 ALA 17 1.503 -3.696 -18.326 121 H GLU 18 HN GLU 18 0.783 -3.082 -16.685 122 HA GLU 18 HA GLU 18 2.421 -1.984 -14.486 123 1HB GLU 18 HB2 GLU 18 1.652 0.257 -15.228 124 2HB GLU 18 HB1 GLU 18 2.616 -0.589 -16.431 125 1HG GLU 18 HG2 GLU 18 0.367 -1.335 -17.413 126 2HG GLU 18 HG1 GLU 18 -0.327 -0.055 -16.421 127 H ASP 19 HN ASP 19 0.961 -3.390 -13.145 128 HA ASP 19 HA ASP 19 -1.720 -2.266 -12.743 129 1HB ASP 19 HB2 ASP 19 -0.376 -4.819 -11.898 130 2HB ASP 19 HB1 ASP 19 -1.918 -4.315 -11.222 131 H ARG 20 HN ARG 20 -2.316 -2.831 -10.199 132 HA ARG 20 HA ARG 20 -0.294 -1.725 -8.424 133 1HB ARG 20 HB2 ARG 20 -2.863 -0.385 -9.132 134 2HB ARG 20 HB1 ARG 20 -2.279 -0.250 -7.483 135 1HG ARG 20 HG2 ARG 20 -0.187 0.334 -9.385 136 2HG ARG 20 HG1 ARG 20 -1.600 1.346 -9.652 137 1HD ARG 20 HD2 ARG 20 -1.239 1.296 -6.883 138 2HD ARG 20 HD1 ARG 20 0.375 1.480 -7.558 139 HE ARG 20 HE ARG 20 -1.121 3.299 -8.923 140 1HH1 ARG 20 1HH1 ARG 20 -0.584 2.669 -5.534 141 2HH1 ARG 20 2HH1 ARG 20 -0.757 4.328 -5.068 142 1HH2 ARG 20 1HH2 ARG 20 -1.349 5.484 -8.312 143 2HH2 ARG 20 2HH2 ARG 20 -1.191 5.925 -6.645 144 H VAL 21 HN VAL 21 -0.227 -3.239 -6.830 145 HA VAL 21 HA VAL 21 -2.666 -4.689 -6.123 146 HB VAL 21 HB VAL 21 -1.246 -6.219 -4.891 147 1HG1 VAL 21 1HG1 VAL 21 0.156 -5.725 -7.501 148 2HG1 VAL 21 2HG1 VAL 21 -1.490 -6.349 -7.425 149 3HG1 VAL 21 3HG1 VAL 21 -0.163 -7.264 -6.696 150 1HG2 VAL 21 1HG2 VAL 21 0.604 -5.408 -3.950 151 2HG2 VAL 21 2HG2 VAL 21 0.659 -4.032 -5.052 152 3HG2 VAL 21 3HG2 VAL 21 1.367 -5.576 -5.530 153 H THR 22 HN THR 22 -2.832 -5.247 -3.693 154 HA THR 22 HA THR 22 -2.325 -2.811 -2.106 155 HB THR 22 HB THR 22 -4.661 -4.729 -1.920 156 HG1 THR 22 HG1 THR 22 -5.805 -3.189 -2.840 157 1HG2 THR 22 1HG2 THR 22 -4.851 -4.113 0.200 158 2HG2 THR 22 2HG2 THR 22 -5.259 -2.506 -0.402 159 3HG2 THR 22 3HG2 THR 22 -3.592 -2.886 0.040 160 H ILE 23 HN ILE 23 -0.726 -3.232 -0.701 161 HA ILE 23 HA ILE 23 -0.693 -5.895 0.568 162 HB ILE 23 HB ILE 23 1.816 -5.595 0.691 163 1HG1 ILE 23 2HG1 ILE 23 1.694 -3.837 -1.684 164 2HG1 ILE 23 1HG1 ILE 23 1.385 -3.080 -0.124 165 1HG2 ILE 23 1HG2 ILE 23 0.181 -6.367 -1.585 166 2HG2 ILE 23 2HG2 ILE 23 1.550 -7.193 -0.838 167 3HG2 ILE 23 3HG2 ILE 23 1.830 -5.929 -2.035 168 1HD1 ILE 23 1HD1 ILE 23 3.512 -3.763 0.700 169 2HD1 ILE 23 2HD1 ILE 23 3.754 -2.996 -0.867 170 3HD1 ILE 23 3HD1 ILE 23 3.804 -4.748 -0.726 171 H ASP 24 HN ASP 24 0.160 -6.040 2.659 172 HA ASP 24 HA ASP 24 0.391 -3.512 4.178 173 1HB ASP 24 HB2 ASP 24 -0.482 -4.877 6.148 174 2HB ASP 24 HB1 ASP 24 -1.670 -4.500 4.910 175 H PHE 25 HN PHE 25 2.411 -3.349 5.144 176 HA PHE 25 HA PHE 25 3.797 -5.852 5.796 177 1HB PHE 25 HB2 PHE 25 5.813 -5.215 4.678 178 2HB PHE 25 HB1 PHE 25 4.484 -5.113 3.525 179 HD1 PHE 25 HD1 PHE 25 4.173 -3.191 2.287 180 HD2 PHE 25 HD2 PHE 25 6.533 -3.016 5.823 181 HE1 PHE 25 HE1 PHE 25 4.773 -0.871 1.773 182 HE2 PHE 25 HE2 PHE 25 7.132 -0.681 5.304 183 HZ PHE 25 HZ PHE 25 6.240 0.388 3.270 184 H THR 26 HN THR 26 5.853 -5.505 6.958 185 HA THR 26 HA THR 26 6.032 -3.046 8.506 186 HB THR 26 HB THR 26 5.869 -5.669 9.971 187 HG1 THR 26 HG1 THR 26 3.762 -3.868 9.384 188 1HG2 THR 26 1HG2 THR 26 6.280 -4.469 11.771 189 2HG2 THR 26 2HG2 THR 26 4.874 -3.458 11.436 190 3HG2 THR 26 3HG2 THR 26 6.450 -3.026 10.771 191 H GLY 27 HN GLY 27 8.136 -2.498 8.447 192 1HA GLY 27 HA2 GLY 27 10.162 -4.432 9.172 193 2HA GLY 27 HA1 GLY 27 10.240 -3.920 7.500 194 H SER 28 HN SER 28 12.409 -3.481 8.920 195 HA SER 28 HA SER 28 12.319 -0.659 9.756 196 1HB SER 28 HB2 SER 28 14.694 -1.388 10.694 197 2HB SER 28 HB1 SER 28 13.212 -1.719 11.594 198 HG SER 28 HG SER 28 14.472 -3.588 11.459 199 H VAL 29 HN VAL 29 14.386 0.550 9.381 200 HA VAL 29 HA VAL 29 15.400 -0.022 6.697 201 HB VAL 29 HB VAL 29 14.265 2.036 6.543 202 1HG1 VAL 29 1HG1 VAL 29 14.589 2.323 9.216 203 2HG1 VAL 29 2HG1 VAL 29 14.023 3.593 8.138 204 3HG1 VAL 29 3HG1 VAL 29 15.719 3.529 8.609 205 1HG2 VAL 29 1HG2 VAL 29 15.867 3.294 5.571 206 2HG2 VAL 29 2HG2 VAL 29 16.847 1.860 5.877 207 3HG2 VAL 29 3HG2 VAL 29 16.928 3.232 6.980 208 H ASP 30 HN ASP 30 16.599 1.923 9.445 209 HA ASP 30 HA ASP 30 19.266 0.847 8.929 210 1HB ASP 30 HB2 ASP 30 20.041 2.639 10.448 211 2HB ASP 30 HB1 ASP 30 19.098 3.275 9.104 212 H GLY 31 HN GLY 31 17.321 -0.887 10.054 213 1HA GLY 31 HA2 GLY 31 17.700 -2.609 11.641 214 2HA GLY 31 HA1 GLY 31 18.647 -1.479 12.600 215 H GLU 32 HN GLU 32 16.231 0.423 11.875 216 HA GLU 32 HA GLU 32 14.341 -0.618 13.860 217 1HB GLU 32 HB2 GLU 32 15.429 2.204 13.827 218 2HB GLU 32 HB1 GLU 32 14.199 1.587 14.922 219 1HG GLU 32 HG2 GLU 32 16.751 0.113 14.880 220 2HG GLU 32 HG1 GLU 32 16.804 1.749 15.534 221 H GLU 33 HN GLU 33 12.286 -0.435 13.236 222 HA GLU 33 HA GLU 33 11.522 0.387 10.702 223 1HB GLU 33 HB2 GLU 33 9.164 0.391 11.732 224 2HB GLU 33 HB1 GLU 33 10.060 -1.120 11.727 225 1HG GLU 33 HG2 GLU 33 9.322 -1.166 13.861 226 2HG GLU 33 HG1 GLU 33 10.800 -0.248 14.123 227 H PHE 34 HN PHE 34 11.472 2.355 9.874 228 HA PHE 34 HA PHE 34 11.380 4.682 11.526 229 1HB PHE 34 HB2 PHE 34 11.842 5.883 9.463 230 2HB PHE 34 HB1 PHE 34 12.934 4.523 9.641 231 HD1 PHE 34 HD1 PHE 34 12.093 2.294 8.409 232 HD2 PHE 34 HD2 PHE 34 10.903 6.257 7.395 233 HE1 PHE 34 HE1 PHE 34 11.508 1.537 6.148 234 HE2 PHE 34 HE2 PHE 34 10.316 5.497 5.128 235 HZ PHE 34 HZ PHE 34 10.617 3.136 4.506 236 H GLU 35 HN GLU 35 10.032 5.909 9.026 237 HA GLU 35 HA GLU 35 7.468 6.240 10.203 238 1HB GLU 35 HB2 GLU 35 8.859 7.220 7.761 239 2HB GLU 35 HB1 GLU 35 7.103 7.282 7.773 240 1HG GLU 35 HG2 GLU 35 7.044 8.978 9.232 241 2HG GLU 35 HG1 GLU 35 8.386 8.344 10.185 242 H GLY 36 HN GLY 36 8.509 4.857 7.087 243 1HA GLY 36 HA2 GLY 36 5.929 3.603 6.700 244 2HA GLY 36 HA1 GLY 36 7.294 3.541 5.601 245 H GLY 37 HN GLY 37 8.097 2.733 8.819 246 1HA GLY 37 HA2 GLY 37 8.869 0.118 8.122 247 2HA GLY 37 HA1 GLY 37 8.734 0.737 9.760 248 H LYS 38 HN LYS 38 5.776 1.301 8.602 249 HA LYS 38 HA LYS 38 4.723 -1.398 8.843 250 1HB LYS 38 HB2 LYS 38 3.759 0.848 10.624 251 2HB LYS 38 HB1 LYS 38 3.120 -0.787 10.572 252 1HG LYS 38 HG2 LYS 38 4.595 -1.460 12.072 253 2HG LYS 38 HG1 LYS 38 5.932 -0.887 11.080 254 1HD LYS 38 HD2 LYS 38 4.335 0.739 13.055 255 2HD LYS 38 HD1 LYS 38 5.998 0.181 13.253 256 1HE LYS 38 HE2 LYS 38 6.756 1.983 12.201 257 2HE LYS 38 HE1 LYS 38 5.779 1.604 10.786 258 1HZ LYS 38 HZ1 LYS 38 3.888 2.663 12.120 259 2HZ LYS 38 HZ2 LYS 38 5.043 3.687 11.428 260 3HZ LYS 38 HZ3 LYS 38 5.110 3.333 13.080 261 H ALA 39 HN ALA 39 3.335 -1.656 7.238 262 HA ALA 39 HA ALA 39 1.594 0.580 6.465 263 1HB ALA 39 HB1 ALA 39 3.536 -0.860 4.773 264 2HB ALA 39 HB2 ALA 39 2.878 0.769 4.617 265 3HB ALA 39 HB3 ALA 39 1.934 -0.619 4.074 266 H SER 40 HN SER 40 -0.455 0.005 5.796 267 HA SER 40 HA SER 40 -1.144 -2.837 6.155 268 1HB SER 40 HB2 SER 40 -2.051 -1.323 7.914 269 2HB SER 40 HB1 SER 40 -2.924 -0.440 6.662 270 HG SER 40 HG SER 40 -3.228 -3.226 7.046 271 H ASP 41 HN ASP 41 -2.430 0.108 4.580 272 HA ASP 41 HA ASP 41 -3.336 -1.539 2.357 273 1HB ASP 41 HB2 ASP 41 -4.714 0.483 1.771 274 2HB ASP 41 HB1 ASP 41 -5.156 -0.262 3.304 275 H PHE 42 HN PHE 42 -0.934 -1.539 1.836 276 HA PHE 42 HA PHE 42 -0.004 1.019 0.781 277 1HB PHE 42 HB2 PHE 42 1.509 -0.490 2.157 278 2HB PHE 42 HB1 PHE 42 1.526 -1.584 0.782 279 HD1 PHE 42 HD1 PHE 42 3.703 -1.480 -0.058 280 HD2 PHE 42 HD2 PHE 42 1.644 2.126 0.877 281 HE1 PHE 42 HE1 PHE 42 5.519 -0.182 -1.084 282 HE2 PHE 42 HE2 PHE 42 3.467 3.431 -0.137 283 HZ PHE 42 HZ PHE 42 5.407 2.276 -1.121 284 H VAL 43 HN VAL 43 -0.811 1.495 -1.151 285 HA VAL 43 HA VAL 43 -1.443 -0.568 -3.064 286 HB VAL 43 HB VAL 43 -1.590 2.425 -3.394 287 1HG1 VAL 43 1HG1 VAL 43 -2.481 2.064 -5.409 288 2HG1 VAL 43 2HG1 VAL 43 -3.530 0.782 -4.805 289 3HG1 VAL 43 3HG1 VAL 43 -1.868 0.416 -5.268 290 1HG2 VAL 43 1HG2 VAL 43 -3.860 0.615 -2.614 291 2HG2 VAL 43 2HG2 VAL 43 -3.819 2.379 -2.622 292 3HG2 VAL 43 3HG2 VAL 43 -2.880 1.479 -1.430 293 H LEU 44 HN LEU 44 0.406 -1.449 -3.835 294 HA LEU 44 HA LEU 44 2.570 0.237 -4.779 295 1HB LEU 44 HB2 LEU 44 2.403 -2.331 -3.720 296 2HB LEU 44 HB1 LEU 44 2.787 -2.586 -5.411 297 HG LEU 44 HG LEU 44 4.387 -1.056 -3.374 298 1HD1 LEU 44 1HD1 LEU 44 5.358 -3.243 -5.155 299 2HD1 LEU 44 2HD1 LEU 44 4.436 -3.628 -3.700 300 3HD1 LEU 44 3HD1 LEU 44 5.944 -2.730 -3.576 301 1HD2 LEU 44 1HD2 LEU 44 4.509 0.277 -5.340 302 2HD2 LEU 44 2HD2 LEU 44 4.679 -1.143 -6.372 303 3HD2 LEU 44 3HD2 LEU 44 5.987 -0.685 -5.279 304 H ALA 45 HN ALA 45 3.230 0.409 -6.888 305 HA ALA 45 HA ALA 45 1.234 -0.403 -8.885 306 1HB ALA 45 HB1 ALA 45 2.582 1.358 -10.279 307 2HB ALA 45 HB2 ALA 45 3.100 1.913 -8.687 308 3HB ALA 45 HB3 ALA 45 1.385 1.881 -9.096 309 H MET 46 HN MET 46 1.837 -2.339 -9.727 310 HA MET 46 HA MET 46 4.494 -3.220 -9.991 311 1HB MET 46 HB2 MET 46 1.894 -4.265 -10.426 312 2HB MET 46 HB1 MET 46 2.808 -4.511 -11.909 313 1HG MET 46 HG2 MET 46 4.198 -5.176 -9.410 314 2HG MET 46 HG1 MET 46 2.830 -6.203 -9.837 315 1HE MET 46 HE1 MET 46 6.794 -7.037 -10.666 316 2HE MET 46 HE2 MET 46 5.600 -8.279 -10.285 317 3HE MET 46 HE3 MET 46 5.687 -6.810 -9.311 318 H GLY 47 HN GLY 47 5.441 -1.318 -10.963 319 1HA GLY 47 HA2 GLY 47 6.676 -0.914 -12.992 320 2HA GLY 47 HA1 GLY 47 5.275 -1.450 -13.902 321 H GLN 48 HN GLN 48 5.990 1.036 -11.438 322 HA GLN 48 HA GLN 48 4.443 2.941 -13.068 323 1HB GLN 48 HB2 GLN 48 4.383 2.355 -10.273 324 2HB GLN 48 HB1 GLN 48 4.972 4.000 -10.473 325 1HG GLN 48 HG2 GLN 48 2.504 3.051 -11.876 326 2HG GLN 48 HG1 GLN 48 2.455 3.629 -10.211 327 1HE2 GLN 48 1HE2 GLN 48 1.539 5.559 -10.288 328 2HE2 GLN 48 2HE2 GLN 48 2.007 6.857 -11.327 329 H GLY 49 HN GLY 49 6.981 3.245 -10.592 330 1HA GLY 49 HA2 GLY 49 8.310 5.229 -12.307 331 2HA GLY 49 HA1 GLY 49 8.557 5.042 -10.576 332 H ARG 50 HN ARG 50 9.174 2.494 -10.206 333 HA ARG 50 HA ARG 50 10.870 1.254 -12.047 334 1HB ARG 50 HB2 ARG 50 13.075 1.780 -11.141 335 2HB ARG 50 HB1 ARG 50 12.290 3.234 -11.745 336 1HG ARG 50 HG2 ARG 50 12.573 4.217 -9.785 337 2HG ARG 50 HG1 ARG 50 11.631 2.952 -8.997 338 1HD ARG 50 HD2 ARG 50 14.012 3.348 -8.161 339 2HD ARG 50 HD1 ARG 50 13.531 1.688 -8.495 340 HE ARG 50 HE ARG 50 15.181 3.330 -10.308 341 1HH1 ARG 50 1HH1 ARG 50 14.327 0.230 -8.920 342 2HH1 ARG 50 2HH1 ARG 50 15.558 -0.625 -9.782 343 1HH2 ARG 50 1HH2 ARG 50 16.792 2.193 -11.433 344 2HH2 ARG 50 2HH2 ARG 50 16.955 0.484 -11.205 345 H MET 51 HN MET 51 9.283 -0.192 -10.892 346 HA MET 51 HA MET 51 9.375 -0.930 -8.258 347 1HB MET 51 HB2 MET 51 8.009 -1.861 -10.326 348 2HB MET 51 HB1 MET 51 9.243 -3.112 -10.290 349 1HG MET 51 HG2 MET 51 7.842 -4.124 -8.876 350 2HG MET 51 HG1 MET 51 8.544 -3.031 -7.683 351 1HE MET 51 HE1 MET 51 7.183 -0.690 -6.840 352 2HE MET 51 HE2 MET 51 5.897 -0.074 -7.876 353 3HE MET 51 HE3 MET 51 7.515 -0.322 -8.532 354 H ILE 52 HN ILE 52 11.116 -1.287 -7.063 355 HA ILE 52 HA ILE 52 13.591 -2.222 -8.101 356 HB ILE 52 HB ILE 52 14.012 -2.631 -5.519 357 1HG1 ILE 52 2HG1 ILE 52 11.795 -0.583 -5.410 358 2HG1 ILE 52 1HG1 ILE 52 11.540 -2.284 -5.029 359 1HG2 ILE 52 1HG2 ILE 52 13.742 0.094 -6.778 360 2HG2 ILE 52 2HG2 ILE 52 15.147 -0.969 -6.860 361 3HG2 ILE 52 3HG2 ILE 52 14.660 -0.268 -5.315 362 1HD1 ILE 52 1HD1 ILE 52 11.850 -1.165 -2.981 363 2HD1 ILE 52 2HD1 ILE 52 13.263 -0.297 -3.584 364 3HD1 ILE 52 3HD1 ILE 52 13.350 -2.036 -3.297 365 HA PRO 53 HA PRO 53 13.334 -6.614 -7.967 366 1HB PRO 53 HB2 PRO 53 15.666 -6.648 -6.123 367 2HB PRO 53 HB1 PRO 53 15.454 -7.454 -7.682 368 1HG PRO 53 HG2 PRO 53 17.019 -5.309 -7.458 369 2HG PRO 53 HG1 PRO 53 16.002 -5.553 -8.890 370 1HD PRO 53 HD2 PRO 53 15.598 -3.717 -6.566 371 2HD PRO 53 HD1 PRO 53 15.240 -3.457 -8.285 372 H GLY 54 HN GLY 54 13.471 -4.758 -5.050 373 1HA GLY 54 HA2 GLY 54 12.948 -6.842 -3.199 374 2HA GLY 54 HA1 GLY 54 12.712 -5.123 -2.928 375 H PHE 55 HN PHE 55 10.760 -4.243 -4.306 376 HA PHE 55 HA PHE 55 8.479 -5.589 -3.300 377 1HB PHE 55 HB2 PHE 55 8.820 -3.205 -5.117 378 2HB PHE 55 HB1 PHE 55 7.236 -3.826 -4.683 379 HD1 PHE 55 HD1 PHE 55 6.847 -4.091 -2.073 380 HD2 PHE 55 HD2 PHE 55 9.709 -1.506 -3.866 381 HE1 PHE 55 HE1 PHE 55 6.853 -2.720 -0.055 382 HE2 PHE 55 HE2 PHE 55 9.718 -0.116 -1.838 383 HZ PHE 55 HZ PHE 55 8.287 -0.719 0.069 384 H GLU 56 HN GLU 56 9.758 -5.055 -6.555 385 HA GLU 56 HA GLU 56 7.794 -6.221 -8.078 386 1HB GLU 56 HB2 GLU 56 9.901 -5.069 -8.869 387 2HB GLU 56 HB1 GLU 56 10.748 -6.583 -8.585 388 1HG GLU 56 HG2 GLU 56 8.730 -7.466 -10.120 389 2HG GLU 56 HG1 GLU 56 8.892 -5.822 -10.738 390 H ASP 57 HN ASP 57 10.068 -7.781 -5.958 391 HA ASP 57 HA ASP 57 9.701 -10.399 -7.084 392 1HB ASP 57 HB2 ASP 57 11.750 -9.548 -5.788 393 2HB ASP 57 HB1 ASP 57 10.803 -9.843 -4.337 394 H GLY 58 HN GLY 58 9.094 -9.416 -3.697 395 1HA GLY 58 HA2 GLY 58 7.242 -11.464 -3.224 396 2HA GLY 58 HA1 GLY 58 7.423 -10.016 -2.247 397 H ILE 59 HN ILE 59 6.606 -8.008 -3.665 398 HA ILE 59 HA ILE 59 3.784 -8.405 -3.943 399 HB ILE 59 HB ILE 59 5.429 -5.909 -4.460 400 1HG1 ILE 59 2HG1 ILE 59 4.677 -5.484 -1.993 401 2HG1 ILE 59 1HG1 ILE 59 4.609 -7.227 -1.900 402 1HG2 ILE 59 1HG2 ILE 59 3.375 -5.203 -5.053 403 2HG2 ILE 59 2HG2 ILE 59 3.114 -5.098 -3.312 404 3HG2 ILE 59 3HG2 ILE 59 2.559 -6.515 -4.203 405 1HD1 ILE 59 1HD1 ILE 59 7.054 -6.201 -3.074 406 2HD1 ILE 59 2HD1 ILE 59 6.828 -7.396 -1.805 407 3HD1 ILE 59 3HD1 ILE 59 6.798 -5.679 -1.414 408 H LYS 60 HN LYS 60 5.222 -9.797 -5.748 409 HA LYS 60 HA LYS 60 5.477 -8.675 -8.331 410 1HB LYS 60 HB2 LYS 60 4.758 -11.002 -9.197 411 2HB LYS 60 HB1 LYS 60 6.233 -10.903 -8.252 412 1HG LYS 60 HG2 LYS 60 4.453 -11.432 -6.298 413 2HG LYS 60 HG1 LYS 60 3.688 -12.249 -7.662 414 1HD LYS 60 HD2 LYS 60 6.603 -12.625 -7.058 415 2HD LYS 60 HD1 LYS 60 5.370 -13.577 -6.232 416 1HE LYS 60 HE2 LYS 60 5.777 -14.964 -7.991 417 2HE LYS 60 HE1 LYS 60 4.531 -13.953 -8.722 418 1HZ LYS 60 HZ1 LYS 60 6.130 -13.876 -10.324 419 2HZ LYS 60 HZ2 LYS 60 7.416 -14.013 -9.233 420 3HZ LYS 60 HZ3 LYS 60 6.609 -12.537 -9.406 421 H GLY 61 HN GLY 61 2.764 -10.242 -6.770 422 1HA GLY 61 HA2 GLY 61 0.566 -9.169 -6.712 423 2HA GLY 61 HA1 GLY 61 0.882 -8.625 -8.356 424 H HIS 62 HN HIS 62 1.385 -11.717 -6.769 425 HA HIS 62 HA HIS 62 -0.436 -12.936 -8.761 426 1HB HIS 62 HB2 HIS 62 1.010 -14.802 -9.037 427 2HB HIS 62 HB1 HIS 62 2.001 -13.359 -9.199 428 HD2 HIS 62 HD2 HIS 62 2.295 -13.102 -5.774 429 HE1 HIS 62 HE1 HIS 62 4.484 -16.685 -6.379 430 HE2 HIS 62 HE2 HIS 62 4.073 -14.732 -4.843 431 H LYS 63 HN LYS 63 0.374 -12.707 -5.425 432 HA LYS 63 HA LYS 63 -1.471 -14.940 -4.871 433 1HB LYS 63 HB2 LYS 63 0.854 -13.945 -3.228 434 2HB LYS 63 HB1 LYS 63 -0.326 -15.117 -2.664 435 1HG LYS 63 HG2 LYS 63 0.611 -16.067 -5.134 436 2HG LYS 63 HG1 LYS 63 2.022 -15.535 -4.220 437 1HD LYS 63 HD2 LYS 63 1.904 -17.564 -3.266 438 2HD LYS 63 HD1 LYS 63 0.611 -16.848 -2.304 439 1HE LYS 63 HE2 LYS 63 -1.059 -17.732 -3.761 440 2HE LYS 63 HE1 LYS 63 0.154 -18.247 -4.931 441 1HZ LYS 63 HZ1 LYS 63 -0.400 -20.176 -3.792 442 2HZ LYS 63 HZ2 LYS 63 -0.457 -19.405 -2.286 443 3HZ LYS 63 HZ3 LYS 63 1.033 -19.685 -3.035 444 H ALA 64 HN ALA 64 -3.300 -13.578 -4.927 445 HA ALA 64 HA ALA 64 -3.614 -11.232 -3.418 446 1HB ALA 64 HB1 ALA 64 -5.321 -13.037 -4.939 447 2HB ALA 64 HB2 ALA 64 -5.380 -11.281 -4.787 448 3HB ALA 64 HB3 ALA 64 -6.142 -12.298 -3.564 449 H GLY 65 HN GLY 65 -2.922 -11.422 -1.282 450 1HA GLY 65 HA2 GLY 65 -3.820 -11.644 0.946 451 2HA GLY 65 HA1 GLY 65 -4.645 -13.101 0.421 452 H GLU 66 HN GLU 66 -1.280 -12.346 -0.252 453 HA GLU 66 HA GLU 66 -0.499 -14.759 1.215 454 1HB GLU 66 HB2 GLU 66 0.113 -14.540 -1.169 455 2HB GLU 66 HB1 GLU 66 1.077 -13.130 -0.780 456 1HG GLU 66 HG2 GLU 66 2.553 -14.959 -0.999 457 2HG GLU 66 HG1 GLU 66 2.446 -14.594 0.718 458 H GLU 67 HN GLU 67 1.571 -14.736 2.379 459 HA GLU 67 HA GLU 67 2.219 -12.118 3.560 460 1HB GLU 67 HB2 GLU 67 0.825 -13.705 5.040 461 2HB GLU 67 HB1 GLU 67 2.285 -14.677 5.146 462 1HG GLU 67 HG2 GLU 67 3.244 -12.220 5.772 463 2HG GLU 67 HG1 GLU 67 1.611 -12.134 6.430 464 H PHE 68 HN PHE 68 4.188 -11.687 2.734 465 HA PHE 68 HA PHE 68 6.289 -13.732 3.048 466 1HB PHE 68 HB2 PHE 68 7.183 -13.026 0.805 467 2HB PHE 68 HB1 PHE 68 5.644 -13.886 0.739 468 HD1 PHE 68 HD1 PHE 68 3.671 -12.830 -0.019 469 HD2 PHE 68 HD2 PHE 68 7.251 -10.598 0.496 470 HE1 PHE 68 HE1 PHE 68 2.650 -10.935 -1.193 471 HE2 PHE 68 HE2 PHE 68 6.237 -8.691 -0.688 472 HZ PHE 68 HZ PHE 68 3.928 -8.862 -1.537 473 H THR 69 HN THR 69 8.512 -12.758 2.748 474 HA THR 69 HA THR 69 8.566 -9.953 3.625 475 HB THR 69 HB THR 69 10.358 -12.163 4.644 476 HG1 THR 69 HG1 THR 69 8.945 -12.425 6.150 477 1HG2 THR 69 1HG2 THR 69 11.542 -10.678 5.837 478 2HG2 THR 69 2HG2 THR 69 10.165 -9.607 6.081 479 3HG2 THR 69 3HG2 THR 69 11.045 -9.576 4.552 480 H ILE 70 HN ILE 70 9.850 -8.642 2.432 481 HA ILE 70 HA ILE 70 12.044 -9.914 0.933 482 HB ILE 70 HB ILE 70 11.556 -8.706 -1.074 483 1HG1 ILE 70 2HG1 ILE 70 10.619 -6.671 0.033 484 2HG1 ILE 70 1HG1 ILE 70 9.672 -7.219 -1.344 485 1HG2 ILE 70 1HG2 ILE 70 9.335 -10.306 0.108 486 2HG2 ILE 70 2HG2 ILE 70 10.447 -10.714 -1.198 487 3HG2 ILE 70 3HG2 ILE 70 9.133 -9.574 -1.483 488 1HD1 ILE 70 1HD1 ILE 70 7.934 -6.976 0.027 489 2HD1 ILE 70 2HD1 ILE 70 8.947 -7.000 1.471 490 3HD1 ILE 70 3HD1 ILE 70 8.453 -8.515 0.713 491 H ASP 71 HN ASP 71 13.543 -8.241 0.000 492 HA ASP 71 HA ASP 71 14.050 -6.218 2.049 493 1HB ASP 71 HB2 ASP 71 16.279 -6.028 0.938 494 2HB ASP 71 HB1 ASP 71 15.941 -7.654 1.526 495 H VAL 72 HN VAL 72 14.356 -3.999 1.460 496 HA VAL 72 HA VAL 72 13.740 -3.279 -1.298 497 HB VAL 72 HB VAL 72 12.163 -1.445 -0.320 498 1HG1 VAL 72 1HG1 VAL 72 10.227 -2.868 -0.738 499 2HG1 VAL 72 2HG1 VAL 72 11.249 -4.301 -0.621 500 3HG1 VAL 72 3HG1 VAL 72 11.498 -3.146 -1.932 501 1HG2 VAL 72 1HG2 VAL 72 12.261 -3.473 1.869 502 2HG2 VAL 72 2HG2 VAL 72 10.760 -2.619 1.527 503 3HG2 VAL 72 3HG2 VAL 72 12.206 -1.713 1.964 504 H THR 73 HN THR 73 14.886 -1.545 -1.971 505 HA THR 73 HA THR 73 15.770 0.447 -0.080 506 HB THR 73 HB THR 73 17.661 -1.347 -1.613 507 HG1 THR 73 HG1 THR 73 16.924 -1.494 0.794 508 1HG2 THR 73 1HG2 THR 73 18.086 1.452 -0.728 509 2HG2 THR 73 2HG2 THR 73 18.742 0.587 -2.119 510 3HG2 THR 73 3HG2 THR 73 19.397 0.291 -0.508 511 H PHE 74 HN PHE 74 15.454 2.366 -1.051 512 HA PHE 74 HA PHE 74 14.859 2.391 -3.866 513 1HB PHE 74 HB2 PHE 74 14.680 4.465 -1.700 514 2HB PHE 74 HB1 PHE 74 14.305 4.811 -3.387 515 HD1 PHE 74 HD1 PHE 74 13.522 2.061 -0.970 516 HD2 PHE 74 HD2 PHE 74 12.078 4.834 -3.844 517 HE1 PHE 74 HE1 PHE 74 11.247 1.171 -0.675 518 HE2 PHE 74 HE2 PHE 74 9.795 3.960 -3.556 519 HZ PHE 74 HZ PHE 74 9.378 2.127 -1.968 520 HA PRO 75 HA PRO 75 19.003 3.523 -5.053 521 1HB PRO 75 HB2 PRO 75 18.407 4.285 -7.612 522 2HB PRO 75 HB1 PRO 75 18.606 2.604 -7.107 523 1HG PRO 75 HG2 PRO 75 16.092 4.183 -7.491 524 2HG PRO 75 HG1 PRO 75 16.448 2.511 -7.966 525 1HD PRO 75 HD2 PRO 75 14.999 3.089 -5.783 526 2HD PRO 75 HD1 PRO 75 16.107 1.700 -5.829 527 H GLU 76 HN GLU 76 19.983 5.429 -6.370 528 HA GLU 76 HA GLU 76 19.238 7.837 -5.005 529 1HB GLU 76 HB2 GLU 76 21.141 8.842 -6.210 530 2HB GLU 76 HB1 GLU 76 21.584 7.352 -5.387 531 1HG GLU 76 HG2 GLU 76 21.368 6.151 -7.536 532 2HG GLU 76 HG1 GLU 76 21.044 7.693 -8.329 533 H GLU 77 HN GLU 77 18.154 6.374 -7.818 534 HA GLU 77 HA GLU 77 17.632 8.828 -9.268 535 1HB GLU 77 HB2 GLU 77 16.506 7.320 -10.904 536 2HB GLU 77 HB1 GLU 77 18.185 6.901 -10.595 537 1HG GLU 77 HG2 GLU 77 16.885 5.364 -8.763 538 2HG GLU 77 HG1 GLU 77 15.739 5.381 -10.099 539 H TYR 78 HN TYR 78 15.960 6.601 -7.167 540 HA TYR 78 HA TYR 78 13.319 7.522 -7.727 541 1HB TYR 78 HB2 TYR 78 14.191 5.337 -6.509 542 2HB TYR 78 HB1 TYR 78 14.042 6.339 -5.072 543 HD1 TYR 78 HD1 TYR 78 12.338 4.254 -7.391 544 HD2 TYR 78 HD2 TYR 78 11.756 7.433 -4.620 545 HE1 TYR 78 HE1 TYR 78 9.938 3.729 -7.301 546 HE2 TYR 78 HE2 TYR 78 9.355 6.917 -4.525 547 HH TYR 78 HH TYR 78 7.683 5.561 -6.474 548 H HIS 79 HN HIS 79 15.137 7.821 -4.696 549 HA HIS 79 HA HIS 79 14.863 9.325 -2.986 550 1HB HIS 79 HB2 HIS 79 15.941 10.770 -5.371 551 2HB HIS 79 HB1 HIS 79 15.725 11.621 -3.841 552 HD2 HIS 79 HD2 HIS 79 16.849 7.991 -3.382 553 HE1 HIS 79 HE1 HIS 79 20.307 10.429 -3.010 554 HE2 HIS 79 HE2 HIS 79 19.378 8.094 -2.839 555 H ALA 80 HN ALA 80 12.472 9.094 -2.919 556 HA ALA 80 HA ALA 80 10.963 11.329 -4.008 557 1HB ALA 80 HB1 ALA 80 9.002 10.165 -3.089 558 2HB ALA 80 HB2 ALA 80 10.068 8.948 -2.385 559 3HB ALA 80 HB3 ALA 80 9.963 9.121 -4.137 560 H GLU 81 HN GLU 81 9.940 12.891 -2.768 561 HA GLU 81 HA GLU 81 11.238 13.878 -0.538 562 1HB GLU 81 HB2 GLU 81 8.567 14.356 -1.768 563 2HB GLU 81 HB1 GLU 81 8.885 15.043 -0.182 564 1HG GLU 81 HG2 GLU 81 9.581 16.774 -1.456 565 2HG GLU 81 HG1 GLU 81 11.091 15.866 -1.398 566 H ASN 82 HN ASN 82 9.095 11.221 -0.631 567 HA ASN 82 HA ASN 82 8.322 11.532 2.158 568 1HB ASN 82 HB2 ASN 82 6.722 9.828 1.807 569 2HB ASN 82 HB1 ASN 82 6.692 10.822 0.355 570 1HD2 ASN 82 1HD2 ASN 82 7.781 10.020 -1.534 571 2HD2 ASN 82 2HD2 ASN 82 7.938 8.321 -1.776 572 H LEU 83 HN LEU 83 10.026 9.098 0.157 573 HA LEU 83 HA LEU 83 11.367 8.222 2.620 574 1HB LEU 83 HB2 LEU 83 10.983 5.954 2.244 575 2HB LEU 83 HB1 LEU 83 9.439 6.723 1.958 576 HG LEU 83 HG LEU 83 9.454 5.281 0.203 577 1HD1 LEU 83 1HD1 LEU 83 9.870 6.356 -1.825 578 2HD1 LEU 83 2HD1 LEU 83 11.193 7.311 -1.158 579 3HD1 LEU 83 3HD1 LEU 83 9.530 7.654 -0.686 580 1HD2 LEU 83 1HD2 LEU 83 11.270 4.224 -0.716 581 2HD2 LEU 83 2HD2 LEU 83 11.793 4.511 0.935 582 3HD2 LEU 83 3HD2 LEU 83 12.368 5.550 -0.371 583 H LYS 84 HN LYS 84 12.078 9.779 0.085 584 HA LYS 84 HA LYS 84 13.662 8.747 -1.732 585 1HB LYS 84 HB2 LYS 84 15.271 10.618 -1.465 586 2HB LYS 84 HB1 LYS 84 13.589 11.123 -1.450 587 1HG LYS 84 HG2 LYS 84 14.002 10.792 1.190 588 2HG LYS 84 HG1 LYS 84 15.625 11.246 0.668 589 1HD LYS 84 HD2 LYS 84 13.874 12.994 -0.657 590 2HD LYS 84 HD1 LYS 84 13.288 12.892 1.003 591 1HE LYS 84 HE2 LYS 84 15.467 13.501 1.851 592 2HE LYS 84 HE1 LYS 84 16.143 13.473 0.224 593 1HZ LYS 84 HZ1 LYS 84 15.624 15.608 0.079 594 2HZ LYS 84 HZ2 LYS 84 14.806 15.580 1.558 595 3HZ LYS 84 HZ3 LYS 84 13.984 15.196 0.132 596 H GLY 85 HN GLY 85 15.240 7.376 -1.988 597 1HA GLY 85 HA2 GLY 85 16.904 5.871 -1.526 598 2HA GLY 85 HA1 GLY 85 17.648 7.234 -0.711 599 H LYS 86 HN LYS 86 14.888 5.073 0.036 600 HA LYS 86 HA LYS 86 15.976 4.836 2.746 601 1HB LYS 86 HB2 LYS 86 13.442 5.349 1.998 602 2HB LYS 86 HB1 LYS 86 13.366 3.598 2.117 603 1HG LYS 86 HG2 LYS 86 12.696 4.468 4.209 604 2HG LYS 86 HG1 LYS 86 14.321 3.815 4.425 605 1HD LYS 86 HD2 LYS 86 14.209 5.929 5.546 606 2HD LYS 86 HD1 LYS 86 15.214 6.122 4.109 607 1HE LYS 86 HE2 LYS 86 13.904 7.785 3.440 608 2HE LYS 86 HE1 LYS 86 12.550 6.661 3.339 609 1HZ LYS 86 HZ1 LYS 86 12.269 7.078 5.802 610 2HZ LYS 86 HZ2 LYS 86 11.861 8.358 4.775 611 3HZ LYS 86 HZ3 LYS 86 13.329 8.385 5.615 612 H ALA 87 HN ALA 87 17.621 3.322 2.420 613 HA ALA 87 HA ALA 87 17.070 0.779 1.180 614 1HB ALA 87 HB1 ALA 87 19.434 1.828 2.729 615 2HB ALA 87 HB2 ALA 87 19.308 1.581 0.990 616 3HB ALA 87 HB3 ALA 87 19.355 0.193 2.074 617 H ALA 88 HN ALA 88 15.369 -0.128 2.336 618 HA ALA 88 HA ALA 88 15.987 -0.837 5.128 619 1HB ALA 88 HB1 ALA 88 14.142 0.940 4.575 620 2HB ALA 88 HB2 ALA 88 13.901 -0.242 5.860 621 3HB ALA 88 HB3 ALA 88 13.162 -0.495 4.279 622 H LYS 89 HN LYS 89 14.032 -2.371 5.815 623 HA LYS 89 HA LYS 89 13.915 -4.654 3.962 624 1HB LYS 89 HB2 LYS 89 15.178 -4.521 6.574 625 2HB LYS 89 HB1 LYS 89 13.878 -5.705 6.571 626 1HG LYS 89 HG2 LYS 89 14.899 -7.000 4.927 627 2HG LYS 89 HG1 LYS 89 15.964 -5.687 4.424 628 1HD LYS 89 HD2 LYS 89 16.087 -7.070 7.101 629 2HD LYS 89 HD1 LYS 89 17.127 -7.447 5.727 630 1HE LYS 89 HE2 LYS 89 17.447 -4.758 5.908 631 2HE LYS 89 HE1 LYS 89 17.207 -5.184 7.603 632 1HZ LYS 89 HZ1 LYS 89 19.078 -6.797 6.033 633 2HZ LYS 89 HZ2 LYS 89 19.124 -6.379 7.670 634 3HZ LYS 89 HZ3 LYS 89 19.571 -5.247 6.497 635 H PHE 90 HN PHE 90 11.881 -5.703 3.961 636 HA PHE 90 HA PHE 90 9.897 -4.744 5.906 637 1HB PHE 90 HB2 PHE 90 9.405 -4.882 2.930 638 2HB PHE 90 HB1 PHE 90 8.178 -4.584 4.148 639 HD1 PHE 90 HD1 PHE 90 8.256 -2.867 1.997 640 HD2 PHE 90 HD2 PHE 90 10.675 -2.760 5.470 641 HE1 PHE 90 HE1 PHE 90 8.550 -0.430 1.716 642 HE2 PHE 90 HE2 PHE 90 10.990 -0.336 5.205 643 HZ PHE 90 HZ PHE 90 9.922 0.835 3.319 644 H ALA 91 HN ALA 91 8.027 -6.122 6.148 645 HA ALA 91 HA ALA 91 8.259 -8.773 4.920 646 1HB ALA 91 HB1 ALA 91 8.853 -8.871 7.337 647 2HB ALA 91 HB2 ALA 91 7.360 -9.738 6.981 648 3HB ALA 91 HB3 ALA 91 7.295 -8.139 7.723 649 H ILE 92 HN ILE 92 6.758 -8.553 3.400 650 HA ILE 92 HA ILE 92 4.359 -6.995 3.938 651 HB ILE 92 HB ILE 92 5.401 -8.091 1.337 652 1HG1 ILE 92 2HG1 ILE 92 6.046 -5.629 2.880 653 2HG1 ILE 92 1HG1 ILE 92 7.085 -6.645 1.922 654 1HG2 ILE 92 1HG2 ILE 92 3.976 -6.327 0.337 655 2HG2 ILE 92 2HG2 ILE 92 3.292 -6.039 1.937 656 3HG2 ILE 92 3HG2 ILE 92 3.081 -7.607 1.155 657 1HD1 ILE 92 1HD1 ILE 92 7.030 -4.830 0.582 658 2HD1 ILE 92 2HD1 ILE 92 5.424 -4.343 1.126 659 3HD1 ILE 92 3HD1 ILE 92 5.601 -5.657 -0.034 660 H ASN 93 HN ASN 93 2.342 -7.570 3.004 661 HA ASN 93 HA ASN 93 1.783 -10.427 2.704 662 1HB ASN 93 HB2 ASN 93 1.248 -9.581 5.052 663 2HB ASN 93 HB1 ASN 93 0.002 -8.594 4.302 664 1HD2 ASN 93 1HD2 ASN 93 -1.685 -9.684 3.127 665 2HD2 ASN 93 2HD2 ASN 93 -2.167 -11.271 3.612 666 H LEU 94 HN LEU 94 1.198 -10.439 0.579 667 HA LEU 94 HA LEU 94 -0.023 -8.260 -0.749 668 1HB LEU 94 HB2 LEU 94 1.353 -10.151 -1.751 669 2HB LEU 94 HB1 LEU 94 -0.111 -11.111 -1.688 670 HG LEU 94 HG LEU 94 -1.208 -9.328 -3.104 671 1HD1 LEU 94 1HD1 LEU 94 -0.076 -7.407 -3.241 672 2HD1 LEU 94 2HD1 LEU 94 0.918 -8.232 -4.442 673 3HD1 LEU 94 3HD1 LEU 94 1.444 -8.163 -2.760 674 1HD2 LEU 94 1HD2 LEU 94 -0.788 -10.668 -4.832 675 2HD2 LEU 94 2HD2 LEU 94 0.365 -11.511 -3.796 676 3HD2 LEU 94 3HD2 LEU 94 0.917 -10.216 -4.858 677 H LYS 95 HN LYS 95 -2.092 -8.094 -1.708 678 HA LYS 95 HA LYS 95 -4.172 -9.879 -0.757 679 1HB LYS 95 HB2 LYS 95 -4.011 -6.970 0.001 680 2HB LYS 95 HB1 LYS 95 -5.550 -7.815 -0.064 681 1HG LYS 95 HG2 LYS 95 -3.698 -9.375 1.443 682 2HG LYS 95 HG1 LYS 95 -3.698 -7.721 2.054 683 1HD LYS 95 HD2 LYS 95 -6.318 -9.008 1.487 684 2HD LYS 95 HD1 LYS 95 -5.427 -9.535 2.916 685 1HE LYS 95 HE2 LYS 95 -6.000 -7.696 4.028 686 2HE LYS 95 HE1 LYS 95 -5.423 -6.662 2.722 687 1HZ LYS 95 HZ1 LYS 95 -8.115 -7.870 3.007 688 2HZ LYS 95 HZ2 LYS 95 -7.581 -7.125 1.587 689 3HZ LYS 95 HZ3 LYS 95 -7.715 -6.226 3.014 690 H LYS 96 HN LYS 96 -5.238 -6.772 -1.711 691 HA LYS 96 HA LYS 96 -6.478 -7.842 -4.027 692 1HB LYS 96 HB2 LYS 96 -6.519 -5.316 -2.553 693 2HB LYS 96 HB1 LYS 96 -6.768 -5.128 -4.283 694 1HG LYS 96 HG2 LYS 96 -8.899 -5.612 -3.930 695 2HG LYS 96 HG1 LYS 96 -8.391 -7.266 -3.587 696 1HD LYS 96 HD2 LYS 96 -8.073 -5.425 -1.331 697 2HD LYS 96 HD1 LYS 96 -9.744 -5.639 -1.855 698 1HE LYS 96 HE2 LYS 96 -8.671 -8.205 -1.857 699 2HE LYS 96 HE1 LYS 96 -8.010 -7.448 -0.409 700 1HZ LYS 96 HZ1 LYS 96 -10.869 -7.125 -0.948 701 2HZ LYS 96 HZ2 LYS 96 -10.057 -7.243 0.531 702 3HZ LYS 96 HZ3 LYS 96 -10.334 -8.631 -0.392 703 H VAL 97 HN VAL 97 -5.216 -8.423 -5.703 704 HA VAL 97 HA VAL 97 -3.377 -6.425 -6.830 705 HB VAL 97 HB VAL 97 -2.131 -8.383 -6.303 706 1HG1 VAL 97 1HG1 VAL 97 -3.206 -10.541 -7.671 707 2HG1 VAL 97 2HG1 VAL 97 -4.602 -9.760 -6.932 708 3HG1 VAL 97 3HG1 VAL 97 -3.246 -10.278 -5.928 709 1HG2 VAL 97 1HG2 VAL 97 -2.504 -7.586 -8.986 710 2HG2 VAL 97 2HG2 VAL 97 -2.352 -9.342 -8.989 711 3HG2 VAL 97 3HG2 VAL 97 -1.089 -8.351 -8.267 712 H GLU 98 HN GLU 98 -4.536 -5.324 -8.347 713 HA GLU 98 HA GLU 98 -6.034 -6.928 -10.315 714 1HB GLU 98 HB2 GLU 98 -6.805 -4.190 -9.308 715 2HB GLU 98 HB1 GLU 98 -7.699 -5.164 -10.467 716 1HG GLU 98 HG2 GLU 98 -8.640 -6.424 -8.869 717 2HG GLU 98 HG1 GLU 98 -7.165 -6.490 -7.909 718 H GLU 99 HN GLU 99 -6.660 -5.073 -12.196 719 HA GLU 99 HA GLU 99 -4.007 -4.196 -13.103 720 1HB GLU 99 HB2 GLU 99 -5.214 -5.918 -14.472 721 2HB GLU 99 HB1 GLU 99 -6.429 -4.696 -14.822 722 1HG GLU 99 HG2 GLU 99 -4.139 -3.391 -15.495 723 2HG GLU 99 HG1 GLU 99 -3.746 -5.056 -15.926 724 H ARG 100 HN ARG 100 -4.099 -2.208 -12.000 725 HA ARG 100 HA ARG 100 -6.135 -0.273 -12.369 726 1HB ARG 100 HB2 ARG 100 -4.585 1.286 -11.387 727 2HB ARG 100 HB1 ARG 100 -4.458 -0.250 -10.536 728 1HG ARG 100 HG2 ARG 100 -2.267 -0.133 -10.866 729 2HG ARG 100 HG1 ARG 100 -2.589 -0.449 -12.565 730 1HD ARG 100 HD2 ARG 100 -2.877 2.032 -12.859 731 2HD ARG 100 HD1 ARG 100 -2.259 2.221 -11.219 732 HE ARG 100 HE ARG 100 -0.411 0.670 -12.544 733 1HH1 ARG 100 1HH1 ARG 100 -1.763 3.864 -12.912 734 2HH1 ARG 100 2HH1 ARG 100 -0.344 4.514 -13.661 735 1HH2 ARG 100 1HH2 ARG 100 1.454 1.519 -13.529 736 2HH2 ARG 100 2HH2 ARG 100 1.484 3.181 -14.012 737 H GLU 101 HN GLU 101 -5.516 1.934 -13.285 738 HA GLU 101 HA GLU 101 -3.731 2.349 -15.336 739 1HB GLU 101 HB2 GLU 101 -5.938 0.655 -16.148 740 2HB GLU 101 HB1 GLU 101 -5.905 2.137 -17.093 741 1HG GLU 101 HG2 GLU 101 -3.393 1.610 -17.394 742 2HG GLU 101 HG1 GLU 101 -3.841 -0.016 -16.886 743 H LEU 102 HN LEU 102 -3.752 4.390 -14.432 744 HA LEU 102 HA LEU 102 -6.133 5.933 -14.146 745 1HB LEU 102 HB2 LEU 102 -3.277 6.894 -14.166 746 2HB LEU 102 HB1 LEU 102 -4.663 7.734 -13.494 747 HG LEU 102 HG LEU 102 -4.043 5.039 -12.418 748 1HD1 LEU 102 1HD1 LEU 102 -2.001 6.913 -12.601 749 2HD1 LEU 102 2HD1 LEU 102 -2.066 5.523 -11.518 750 3HD1 LEU 102 3HD1 LEU 102 -2.626 7.099 -10.962 751 1HD2 LEU 102 1HD2 LEU 102 -5.129 7.625 -11.351 752 2HD2 LEU 102 2HD2 LEU 102 -4.692 6.273 -10.304 753 3HD2 LEU 102 3HD2 LEU 102 -5.951 6.077 -11.525 754 HA PRO 103 HA PRO 103 -6.480 7.545 -18.263 755 1HB PRO 103 HB2 PRO 103 -7.764 9.891 -17.734 756 2HB PRO 103 HB1 PRO 103 -8.568 8.316 -17.707 757 1HG PRO 103 HG2 PRO 103 -7.514 9.947 -15.429 758 2HG PRO 103 HG1 PRO 103 -9.035 9.041 -15.551 759 1HD PRO 103 HD2 PRO 103 -6.887 8.083 -14.221 760 2HD PRO 103 HD1 PRO 103 -8.015 7.022 -15.088 761 H GLU 104 HN GLU 104 -5.170 8.666 -19.572 762 HA GLU 104 HA GLU 104 -3.179 10.418 -18.380 763 1HB GLU 104 HB2 GLU 104 -3.064 8.553 -20.390 764 2HB GLU 104 HB1 GLU 104 -3.119 10.060 -21.293 765 1HG GLU 104 HG2 GLU 104 -0.913 10.097 -21.013 766 2HG GLU 104 HG1 GLU 104 -1.268 10.618 -19.366 767 H LEU 105 HN LEU 105 -5.684 10.568 -20.890 768 HA LEU 105 HA LEU 105 -5.361 13.486 -20.979 769 1HB LEU 105 HB2 LEU 105 -6.829 11.631 -22.857 770 2HB LEU 105 HB1 LEU 105 -6.705 13.370 -23.047 771 HG LEU 105 HG LEU 105 -4.277 11.592 -22.978 772 1HD1 LEU 105 1HD1 LEU 105 -4.439 12.100 -25.557 773 2HD1 LEU 105 2HD1 LEU 105 -6.165 12.162 -25.203 774 3HD1 LEU 105 3HD1 LEU 105 -5.245 10.701 -24.845 775 1HD2 LEU 105 1HD2 LEU 105 -3.100 13.453 -23.359 776 2HD2 LEU 105 2HD2 LEU 105 -4.542 14.323 -22.838 777 3HD2 LEU 105 3HD2 LEU 105 -4.252 14.044 -24.556 778 H THR 106 HN THR 106 -6.498 14.132 -19.181 779 HA THR 106 HA THR 106 -9.071 13.132 -18.501 780 HB THR 106 HB THR 106 -7.707 14.089 -16.773 781 HG1 THR 106 HG1 THR 106 -9.200 15.427 -15.859 782 1HG2 THR 106 1HG2 THR 106 -6.430 15.866 -17.047 783 2HG2 THR 106 2HG2 THR 106 -7.854 16.874 -17.305 784 3HG2 THR 106 3HG2 THR 106 -7.079 16.074 -18.673 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -24.475 11.295 4.242 2 2H GLY 1 HT2 GLY 1 -23.010 12.010 3.789 3 3H GLY 1 HT3 GLY 1 -23.014 10.675 4.828 4 1HA GLY 1 HA1 GLY 1 -24.091 9.380 2.973 5 2HA GLY 1 HA2 GLY 1 -23.676 10.743 1.944 6 H SER 2 HN SER 2 -22.224 9.672 0.650 7 HA SER 2 HA SER 2 -19.655 9.073 1.912 8 1HB SER 2 HB2 SER 2 -21.208 7.189 0.137 9 2HB SER 2 HB1 SER 2 -19.468 7.042 0.377 10 HG SER 2 HG SER 2 -20.857 5.778 1.825 11 H HIS 3 HN HIS 3 -17.896 8.849 0.264 12 HA HIS 3 HA HIS 3 -18.275 9.783 -2.387 13 1HB HIS 3 HB2 HIS 3 -18.596 11.885 -0.932 14 2HB HIS 3 HB1 HIS 3 -16.865 11.780 -0.628 15 HD2 HIS 3 HD2 HIS 3 -17.745 10.873 -4.238 16 HE1 HIS 3 HE1 HIS 3 -16.523 14.938 -4.239 17 HE2 HIS 3 HE2 HIS 3 -17.159 12.954 -5.658 18 H MET 4 HN MET 4 -16.628 9.057 -3.570 19 HA MET 4 HA MET 4 -14.228 8.128 -2.173 20 1HB MET 4 HB2 MET 4 -15.623 6.635 -3.721 21 2HB MET 4 HB1 MET 4 -14.945 7.571 -5.046 22 1HG MET 4 HG2 MET 4 -13.382 5.970 -5.037 23 2HG MET 4 HG1 MET 4 -12.695 6.922 -3.722 24 1HE MET 4 HE1 MET 4 -14.345 2.717 -3.556 25 2HE MET 4 HE2 MET 4 -13.256 3.445 -4.735 26 3HE MET 4 HE3 MET 4 -14.955 3.921 -4.691 27 H GLN 5 HN GLN 5 -12.302 9.072 -2.418 28 HA GLN 5 HA GLN 5 -12.106 11.484 -3.978 29 1HB GLN 5 HB2 GLN 5 -10.833 10.441 -1.696 30 2HB GLN 5 HB1 GLN 5 -9.576 10.589 -2.915 31 1HG GLN 5 HG2 GLN 5 -11.436 12.868 -2.427 32 2HG GLN 5 HG1 GLN 5 -10.098 12.570 -1.317 33 1HE2 GLN 5 1HE2 GLN 5 -10.885 13.109 -4.712 34 2HE2 GLN 5 2HE2 GLN 5 -9.384 13.852 -5.131 35 H ALA 6 HN ALA 6 -9.930 8.663 -3.814 36 HA ALA 6 HA ALA 6 -8.894 9.188 -6.433 37 1HB ALA 6 HB1 ALA 6 -7.544 8.206 -4.595 38 2HB ALA 6 HB2 ALA 6 -7.500 7.260 -6.083 39 3HB ALA 6 HB3 ALA 6 -8.501 6.731 -4.731 40 H THR 7 HN THR 7 -9.007 7.761 -8.248 41 HA THR 7 HA THR 7 -11.404 6.046 -8.273 42 HB THR 7 HB THR 7 -11.276 6.784 -10.853 43 HG1 THR 7 HG1 THR 7 -10.780 9.270 -9.724 44 1HG2 THR 7 1HG2 THR 7 -12.579 8.753 -9.051 45 2HG2 THR 7 2HG2 THR 7 -13.136 7.079 -9.042 46 3HG2 THR 7 3HG2 THR 7 -13.170 8.013 -10.538 47 H TRP 8 HN TRP 8 -11.347 4.209 -9.593 48 HA TRP 8 HA TRP 8 -8.828 3.528 -10.890 49 1HB TRP 8 HB2 TRP 8 -10.081 1.900 -8.677 50 2HB TRP 8 HB1 TRP 8 -8.842 1.279 -9.765 51 HD1 TRP 8 HD1 TRP 8 -9.253 4.244 -7.300 52 HE1 TRP 8 HE1 TRP 8 -6.980 4.658 -6.183 53 HE3 TRP 8 HE3 TRP 8 -6.485 0.731 -9.776 54 HZ2 TRP 8 HZ2 TRP 8 -4.345 3.626 -6.331 55 HZ3 TRP 8 HZ3 TRP 8 -4.107 0.513 -9.227 56 HH2 TRP 8 HH2 TRP 8 -3.060 1.927 -7.537 57 H LYS 9 HN LYS 9 -9.000 1.415 -12.054 58 HA LYS 9 HA LYS 9 -11.696 0.621 -12.806 59 1HB LYS 9 HB2 LYS 9 -11.119 0.811 -15.247 60 2HB LYS 9 HB1 LYS 9 -11.331 2.348 -14.421 61 1HG LYS 9 HG2 LYS 9 -8.579 1.507 -14.314 62 2HG LYS 9 HG1 LYS 9 -9.165 1.546 -15.979 63 1HD LYS 9 HD2 LYS 9 -9.924 3.848 -14.300 64 2HD LYS 9 HD1 LYS 9 -8.206 3.704 -14.669 65 1HE LYS 9 HE2 LYS 9 -9.308 5.073 -16.340 66 2HE LYS 9 HE1 LYS 9 -8.742 3.567 -17.061 67 1HZ LYS 9 HZ1 LYS 9 -11.080 2.726 -16.640 68 2HZ LYS 9 HZ2 LYS 9 -10.894 3.867 -17.875 69 3HZ LYS 9 HZ3 LYS 9 -11.512 4.340 -16.374 70 H GLU 10 HN GLU 10 -9.159 -0.420 -11.517 71 HA GLU 10 HA GLU 10 -8.027 -2.344 -13.238 72 1HB GLU 10 HB2 GLU 10 -7.045 -3.284 -11.178 73 2HB GLU 10 HB1 GLU 10 -6.810 -1.551 -11.320 74 1HG GLU 10 HG2 GLU 10 -9.043 -1.514 -9.889 75 2HG GLU 10 HG1 GLU 10 -8.437 -3.090 -9.385 76 H LYS 11 HN LYS 11 -8.415 -4.459 -13.562 77 HA LYS 11 HA LYS 11 -11.054 -5.420 -13.181 78 1HB LYS 11 HB2 LYS 11 -8.646 -7.083 -13.921 79 2HB LYS 11 HB1 LYS 11 -10.328 -7.387 -14.330 80 1HG LYS 11 HG2 LYS 11 -10.283 -6.011 -16.103 81 2HG LYS 11 HG1 LYS 11 -9.257 -4.825 -15.294 82 1HD LYS 11 HD2 LYS 11 -7.730 -5.574 -16.788 83 2HD LYS 11 HD1 LYS 11 -7.492 -6.826 -15.566 84 1HE LYS 11 HE2 LYS 11 -9.581 -7.820 -17.032 85 2HE LYS 11 HE1 LYS 11 -8.609 -7.011 -18.261 86 1HZ LYS 11 HZ1 LYS 11 -8.034 -9.394 -16.723 87 2HZ LYS 11 HZ2 LYS 11 -6.734 -8.321 -16.874 88 3HZ LYS 11 HZ3 LYS 11 -7.488 -8.934 -18.258 89 H ASP 12 HN ASP 12 -10.360 -8.216 -12.582 90 HA ASP 12 HA ASP 12 -9.675 -7.984 -9.736 91 1HB ASP 12 HB2 ASP 12 -12.217 -8.444 -10.612 92 2HB ASP 12 HB1 ASP 12 -11.619 -10.089 -10.424 93 H GLY 13 HN GLY 13 -8.262 -8.930 -12.273 94 1HA GLY 13 HA2 GLY 13 -7.823 -11.746 -11.613 95 2HA GLY 13 HA1 GLY 13 -7.250 -10.918 -13.051 96 H ALA 14 HN ALA 14 -5.235 -12.065 -12.506 97 HA ALA 14 HA ALA 14 -3.754 -11.405 -10.174 98 1HB ALA 14 HB1 ALA 14 -2.566 -12.395 -12.747 99 2HB ALA 14 HB2 ALA 14 -3.481 -13.444 -11.665 100 3HB ALA 14 HB3 ALA 14 -2.001 -12.667 -11.099 101 H VAL 15 HN VAL 15 -1.248 -10.771 -10.973 102 HA VAL 15 HA VAL 15 -1.399 -7.940 -11.372 103 HB VAL 15 HB VAL 15 0.418 -8.881 -10.044 104 1HG1 VAL 15 1HG1 VAL 15 0.878 -10.963 -11.040 105 2HG1 VAL 15 2HG1 VAL 15 2.323 -9.990 -11.313 106 3HG1 VAL 15 3HG1 VAL 15 1.163 -10.233 -12.621 107 1HG2 VAL 15 1HG2 VAL 15 2.003 -7.362 -10.707 108 2HG2 VAL 15 2HG2 VAL 15 0.605 -6.769 -11.603 109 3HG2 VAL 15 3HG2 VAL 15 1.820 -7.755 -12.417 110 H GLU 16 HN GLU 16 -0.623 -6.721 -13.180 111 HA GLU 16 HA GLU 16 -0.111 -8.238 -15.613 112 1HB GLU 16 HB2 GLU 16 -2.365 -6.348 -15.179 113 2HB GLU 16 HB1 GLU 16 -1.528 -6.258 -16.717 114 1HG GLU 16 HG2 GLU 16 -3.282 -7.721 -17.112 115 2HG GLU 16 HG1 GLU 16 -1.900 -8.784 -16.849 116 H ALA 17 HN ALA 17 0.780 -6.852 -17.310 117 HA ALA 17 HA ALA 17 3.128 -5.824 -17.030 118 1HB ALA 17 HB1 ALA 17 2.614 -3.910 -18.644 119 2HB ALA 17 HB2 ALA 17 0.949 -4.488 -18.596 120 3HB ALA 17 HB3 ALA 17 2.235 -5.551 -19.168 121 H GLU 18 HN GLU 18 0.670 -3.218 -16.817 122 HA GLU 18 HA GLU 18 2.311 -2.059 -14.658 123 1HB GLU 18 HB2 GLU 18 0.683 -0.635 -16.757 124 2HB GLU 18 HB1 GLU 18 1.536 0.157 -15.439 125 1HG GLU 18 HG2 GLU 18 3.369 0.235 -16.667 126 2HG GLU 18 HG1 GLU 18 3.386 -1.525 -16.762 127 H ASP 19 HN ASP 19 0.865 -3.460 -13.289 128 HA ASP 19 HA ASP 19 -1.815 -2.357 -12.854 129 1HB ASP 19 HB2 ASP 19 -0.405 -4.878 -12.026 130 2HB ASP 19 HB1 ASP 19 -1.916 -4.390 -11.272 131 H ARG 20 HN ARG 20 -2.335 -2.903 -10.289 132 HA ARG 20 HA ARG 20 -0.295 -1.737 -8.578 133 1HB ARG 20 HB2 ARG 20 -2.372 -0.153 -9.581 134 2HB ARG 20 HB1 ARG 20 -2.860 -0.550 -7.944 135 1HG ARG 20 HG2 ARG 20 -1.419 0.892 -7.088 136 2HG ARG 20 HG1 ARG 20 -0.092 0.231 -8.028 137 1HD ARG 20 HD2 ARG 20 -0.219 1.859 -9.571 138 2HD ARG 20 HD1 ARG 20 -1.981 1.817 -9.593 139 HE ARG 20 HE ARG 20 -0.835 3.043 -7.246 140 1HH1 ARG 20 1HH1 ARG 20 -1.989 3.552 -10.500 141 2HH1 ARG 20 2HH1 ARG 20 -2.346 5.227 -10.245 142 1HH2 ARG 20 1HH2 ARG 20 -1.314 5.244 -6.905 143 2HH2 ARG 20 2HH2 ARG 20 -1.962 6.188 -8.205 144 H VAL 21 HN VAL 21 -0.132 -3.125 -6.911 145 HA VAL 21 HA VAL 21 -2.420 -4.778 -6.153 146 HB VAL 21 HB VAL 21 -0.802 -6.049 -4.803 147 1HG1 VAL 21 1HG1 VAL 21 0.355 -5.659 -7.549 148 2HG1 VAL 21 2HG1 VAL 21 -1.186 -6.469 -7.277 149 3HG1 VAL 21 3HG1 VAL 21 0.294 -7.138 -6.585 150 1HG2 VAL 21 1HG2 VAL 21 1.680 -5.205 -5.676 151 2HG2 VAL 21 2HG2 VAL 21 0.997 -4.955 -4.071 152 3HG2 VAL 21 3HG2 VAL 21 0.835 -3.704 -5.300 153 H THR 22 HN THR 22 -2.690 -5.238 -3.770 154 HA THR 22 HA THR 22 -2.279 -2.789 -2.176 155 HB THR 22 HB THR 22 -4.574 -4.756 -2.001 156 HG1 THR 22 HG1 THR 22 -4.579 -3.172 -3.761 157 1HG2 THR 22 1HG2 THR 22 -3.573 -2.909 -0.067 158 2HG2 THR 22 2HG2 THR 22 -4.952 -4.007 0.039 159 3HG2 THR 22 3HG2 THR 22 -5.167 -2.388 -0.623 160 H ILE 23 HN ILE 23 -0.718 -3.198 -0.725 161 HA ILE 23 HA ILE 23 -0.716 -5.852 0.564 162 HB ILE 23 HB ILE 23 1.757 -5.723 0.617 163 1HG1 ILE 23 2HG1 ILE 23 1.462 -3.471 -1.359 164 2HG1 ILE 23 1HG1 ILE 23 1.784 -3.219 0.353 165 1HG2 ILE 23 1HG2 ILE 23 0.143 -6.557 -1.423 166 2HG2 ILE 23 2HG2 ILE 23 1.879 -6.869 -1.310 167 3HG2 ILE 23 3HG2 ILE 23 1.283 -5.503 -2.254 168 1HD1 ILE 23 1HD1 ILE 23 3.577 -5.078 -1.023 169 2HD1 ILE 23 2HD1 ILE 23 3.927 -3.836 0.177 170 3HD1 ILE 23 3HD1 ILE 23 3.687 -3.390 -1.513 171 H ASP 24 HN ASP 24 0.173 -5.989 2.640 172 HA ASP 24 HA ASP 24 0.431 -3.454 4.139 173 1HB ASP 24 HB2 ASP 24 -0.459 -4.796 6.118 174 2HB ASP 24 HB1 ASP 24 -1.642 -4.417 4.874 175 H PHE 25 HN PHE 25 2.463 -3.300 5.072 176 HA PHE 25 HA PHE 25 3.818 -5.796 5.799 177 1HB PHE 25 HB2 PHE 25 5.852 -5.206 4.669 178 2HB PHE 25 HB1 PHE 25 4.529 -5.160 3.510 179 HD1 PHE 25 HD1 PHE 25 4.147 -3.268 2.218 180 HD2 PHE 25 HD2 PHE 25 6.633 -2.994 5.665 181 HE1 PHE 25 HE1 PHE 25 4.738 -0.964 1.618 182 HE2 PHE 25 HE2 PHE 25 7.219 -0.676 5.058 183 HZ PHE 25 HZ PHE 25 6.262 0.334 3.027 184 H THR 26 HN THR 26 5.910 -5.388 6.934 185 HA THR 26 HA THR 26 6.078 -2.885 8.399 186 HB THR 26 HB THR 26 5.782 -5.497 9.887 187 HG1 THR 26 HG1 THR 26 3.900 -3.451 9.370 188 1HG2 THR 26 1HG2 THR 26 5.373 -2.843 11.143 189 2HG2 THR 26 2HG2 THR 26 7.024 -3.394 10.857 190 3HG2 THR 26 3HG2 THR 26 5.931 -4.361 11.847 191 H GLY 27 HN GLY 27 8.177 -2.351 8.304 192 1HA GLY 27 HA2 GLY 27 10.197 -4.277 9.085 193 2HA GLY 27 HA1 GLY 27 10.269 -3.804 7.401 194 H SER 28 HN SER 28 12.409 -3.387 8.999 195 HA SER 28 HA SER 28 12.373 -0.498 9.617 196 1HB SER 28 HB2 SER 28 14.731 -1.974 10.514 197 2HB SER 28 HB1 SER 28 13.632 -0.958 11.435 198 HG SER 28 HG SER 28 12.911 -2.746 12.245 199 H VAL 29 HN VAL 29 14.516 0.593 9.280 200 HA VAL 29 HA VAL 29 15.596 -0.187 6.679 201 HB VAL 29 HB VAL 29 14.748 1.982 6.450 202 1HG1 VAL 29 1HG1 VAL 29 14.362 3.354 8.132 203 2HG1 VAL 29 2HG1 VAL 29 16.091 3.548 8.419 204 3HG1 VAL 29 3HG1 VAL 29 15.206 2.249 9.212 205 1HG2 VAL 29 1HG2 VAL 29 17.555 1.593 6.325 206 2HG2 VAL 29 2HG2 VAL 29 17.257 3.240 6.875 207 3HG2 VAL 29 3HG2 VAL 29 16.548 2.673 5.364 208 H ASP 30 HN ASP 30 17.087 1.785 9.258 209 HA ASP 30 HA ASP 30 19.515 0.199 8.940 210 1HB ASP 30 HB2 ASP 30 19.287 2.851 9.021 211 2HB ASP 30 HB1 ASP 30 19.393 2.565 10.755 212 H GLY 31 HN GLY 31 17.326 -1.038 10.243 213 1HA GLY 31 HA2 GLY 31 17.427 -2.578 12.039 214 2HA GLY 31 HA1 GLY 31 18.551 -1.506 12.862 215 H GLU 32 HN GLU 32 16.348 0.582 11.807 216 HA GLU 32 HA GLU 32 14.430 0.117 13.977 217 1HB GLU 32 HB2 GLU 32 15.718 2.795 13.427 218 2HB GLU 32 HB1 GLU 32 14.562 2.424 14.698 219 1HG GLU 32 HG2 GLU 32 17.202 1.021 14.541 220 2HG GLU 32 HG1 GLU 32 17.041 2.599 15.313 221 H GLU 33 HN GLU 33 12.505 0.007 13.075 222 HA GLU 33 HA GLU 33 11.851 0.735 10.494 223 1HB GLU 33 HB2 GLU 33 9.467 0.516 11.295 224 2HB GLU 33 HB1 GLU 33 10.496 -0.876 11.597 225 1HG GLU 33 HG2 GLU 33 9.750 -0.785 13.686 226 2HG GLU 33 HG1 GLU 33 10.798 0.620 13.878 227 H PHE 34 HN PHE 34 11.635 2.642 9.591 228 HA PHE 34 HA PHE 34 11.423 5.022 11.158 229 1HB PHE 34 HB2 PHE 34 11.888 6.167 9.117 230 2HB PHE 34 HB1 PHE 34 12.937 4.763 9.203 231 HD1 PHE 34 HD1 PHE 34 11.536 2.565 8.105 232 HD2 PHE 34 HD2 PHE 34 11.257 6.664 6.987 233 HE1 PHE 34 HE1 PHE 34 10.801 1.900 5.861 234 HE2 PHE 34 HE2 PHE 34 10.516 5.999 4.741 235 HZ PHE 34 HZ PHE 34 10.288 3.616 4.174 236 H GLU 35 HN GLU 35 9.996 6.145 8.662 237 HA GLU 35 HA GLU 35 7.431 6.376 9.873 238 1HB GLU 35 HB2 GLU 35 8.585 7.293 7.247 239 2HB GLU 35 HB1 GLU 35 6.884 7.516 7.633 240 1HG GLU 35 HG2 GLU 35 8.660 8.436 9.747 241 2HG GLU 35 HG1 GLU 35 8.919 9.261 8.210 242 H GLY 36 HN GLY 36 8.555 4.939 6.812 243 1HA GLY 36 HA2 GLY 36 6.018 3.637 6.360 244 2HA GLY 36 HA1 GLY 36 7.454 3.501 5.360 245 H GLY 37 HN GLY 37 8.155 2.921 8.619 246 1HA GLY 37 HA2 GLY 37 8.967 0.300 8.207 247 2HA GLY 37 HA1 GLY 37 8.669 1.022 9.775 248 H LYS 38 HN LYS 38 5.789 1.418 8.445 249 HA LYS 38 HA LYS 38 4.822 -1.302 8.582 250 1HB LYS 38 HB2 LYS 38 3.142 -0.772 10.333 251 2HB LYS 38 HB1 LYS 38 4.794 -0.749 10.929 252 1HG LYS 38 HG2 LYS 38 3.719 1.835 10.006 253 2HG LYS 38 HG1 LYS 38 2.987 1.159 11.460 254 1HD LYS 38 HD2 LYS 38 4.704 2.008 12.599 255 2HD LYS 38 HD1 LYS 38 5.722 0.797 11.819 256 1HE LYS 38 HE2 LYS 38 6.879 2.535 11.019 257 2HE LYS 38 HE1 LYS 38 5.536 2.742 9.896 258 1HZ LYS 38 HZ1 LYS 38 5.265 4.744 10.773 259 2HZ LYS 38 HZ2 LYS 38 6.385 4.443 12.004 260 3HZ LYS 38 HZ3 LYS 38 4.763 4.010 12.215 261 H ALA 39 HN ALA 39 3.379 -1.539 7.044 262 HA ALA 39 HA ALA 39 1.605 0.700 6.361 263 1HB ALA 39 HB1 ALA 39 1.949 -0.491 3.935 264 2HB ALA 39 HB2 ALA 39 3.570 -0.623 4.624 265 3HB ALA 39 HB3 ALA 39 2.801 0.958 4.474 266 H SER 40 HN SER 40 -0.444 0.117 5.679 267 HA SER 40 HA SER 40 -1.102 -2.730 6.034 268 1HB SER 40 HB2 SER 40 -3.474 -1.678 6.477 269 2HB SER 40 HB1 SER 40 -2.263 -1.707 7.759 270 HG SER 40 HG SER 40 -2.044 0.404 7.622 271 H ASP 41 HN ASP 41 -2.381 0.183 4.390 272 HA ASP 41 HA ASP 41 -3.257 -1.511 2.193 273 1HB ASP 41 HB2 ASP 41 -4.076 1.327 2.876 274 2HB ASP 41 HB1 ASP 41 -4.729 0.344 1.569 275 H PHE 42 HN PHE 42 -0.876 -1.540 1.681 276 HA PHE 42 HA PHE 42 0.148 0.978 0.635 277 1HB PHE 42 HB2 PHE 42 1.576 -0.687 1.954 278 2HB PHE 42 HB1 PHE 42 1.529 -1.696 0.517 279 HD1 PHE 42 HD1 PHE 42 3.718 -1.682 -0.305 280 HD2 PHE 42 HD2 PHE 42 1.851 1.985 0.799 281 HE1 PHE 42 HE1 PHE 42 5.615 -0.433 -1.242 282 HE2 PHE 42 HE2 PHE 42 3.752 3.236 -0.130 283 HZ PHE 42 HZ PHE 42 5.636 2.028 -1.153 284 H VAL 43 HN VAL 43 -0.628 1.536 -1.303 285 HA VAL 43 HA VAL 43 -1.397 -0.477 -3.225 286 HB VAL 43 HB VAL 43 -1.373 2.521 -3.536 287 1HG1 VAL 43 1HG1 VAL 43 -2.054 0.336 -5.281 288 2HG1 VAL 43 2HG1 VAL 43 -1.984 2.066 -5.625 289 3HG1 VAL 43 3HG1 VAL 43 -3.466 1.354 -4.985 290 1HG2 VAL 43 1HG2 VAL 43 -3.973 1.884 -3.127 291 2HG2 VAL 43 2HG2 VAL 43 -2.884 2.470 -1.871 292 3HG2 VAL 43 3HG2 VAL 43 -3.174 0.739 -2.049 293 H LEU 44 HN LEU 44 0.413 -1.454 -4.001 294 HA LEU 44 HA LEU 44 2.649 0.141 -4.943 295 1HB LEU 44 HB2 LEU 44 2.387 -2.402 -3.864 296 2HB LEU 44 HB1 LEU 44 2.740 -2.696 -5.556 297 HG LEU 44 HG LEU 44 4.423 -1.131 -3.604 298 1HD1 LEU 44 1HD1 LEU 44 4.760 -3.415 -3.232 299 2HD1 LEU 44 2HD1 LEU 44 6.066 -2.926 -4.305 300 3HD1 LEU 44 3HD1 LEU 44 4.680 -3.791 -4.955 301 1HD2 LEU 44 1HD2 LEU 44 4.258 -0.917 -6.458 302 2HD2 LEU 44 2HD2 LEU 44 5.817 -1.598 -6.003 303 3HD2 LEU 44 3HD2 LEU 44 5.302 -0.049 -5.335 304 H ALA 45 HN ALA 45 3.126 0.551 -7.008 305 HA ALA 45 HA ALA 45 1.185 -0.286 -9.036 306 1HB ALA 45 HB1 ALA 45 1.811 2.156 -8.629 307 2HB ALA 45 HB2 ALA 45 1.806 1.582 -10.296 308 3HB ALA 45 HB3 ALA 45 3.333 1.769 -9.431 309 H MET 46 HN MET 46 1.716 -2.166 -9.916 310 HA MET 46 HA MET 46 4.329 -3.173 -10.196 311 1HB MET 46 HB2 MET 46 1.909 -4.002 -11.783 312 2HB MET 46 HB1 MET 46 3.345 -4.961 -11.460 313 1HG MET 46 HG2 MET 46 1.486 -3.984 -9.314 314 2HG MET 46 HG1 MET 46 1.331 -5.550 -10.106 315 1HE MET 46 HE1 MET 46 4.038 -4.433 -6.691 316 2HE MET 46 HE2 MET 46 2.356 -4.004 -7.007 317 3HE MET 46 HE3 MET 46 3.649 -3.250 -7.939 318 H GLY 47 HN GLY 47 5.551 -1.558 -11.223 319 1HA GLY 47 HA2 GLY 47 6.730 -1.136 -13.233 320 2HA GLY 47 HA1 GLY 47 5.318 -1.653 -14.139 321 H GLN 48 HN GLN 48 5.977 0.841 -11.682 322 HA GLN 48 HA GLN 48 4.979 2.860 -13.566 323 1HB GLN 48 HB2 GLN 48 3.359 2.008 -11.635 324 2HB GLN 48 HB1 GLN 48 4.290 3.156 -10.683 325 1HG GLN 48 HG2 GLN 48 2.919 3.870 -13.258 326 2HG GLN 48 HG1 GLN 48 2.165 4.032 -11.673 327 1HE2 GLN 48 1HE2 GLN 48 4.043 5.036 -10.103 328 2HE2 GLN 48 2HE2 GLN 48 4.600 6.567 -10.674 329 H GLY 49 HN GLY 49 6.149 2.761 -10.202 330 1HA GLY 49 HA2 GLY 49 8.014 4.929 -10.864 331 2HA GLY 49 HA1 GLY 49 7.496 4.482 -9.247 332 H ARG 50 HN ARG 50 9.191 3.051 -12.034 333 HA ARG 50 HA ARG 50 10.823 1.446 -12.115 334 1HB ARG 50 HB2 ARG 50 12.910 2.226 -11.295 335 2HB ARG 50 HB1 ARG 50 11.984 3.639 -11.770 336 1HG ARG 50 HG2 ARG 50 12.164 4.516 -9.745 337 2HG ARG 50 HG1 ARG 50 11.537 3.050 -8.993 338 1HD ARG 50 HD2 ARG 50 13.851 3.751 -8.279 339 2HD ARG 50 HD1 ARG 50 13.692 2.090 -8.839 340 HE ARG 50 HE ARG 50 14.992 4.296 -10.271 341 1HH1 ARG 50 1HH1 ARG 50 14.205 0.893 -10.071 342 2HH1 ARG 50 2HH1 ARG 50 15.361 0.434 -11.273 343 1HH2 ARG 50 1HH2 ARG 50 16.501 3.684 -11.854 344 2HH2 ARG 50 2HH2 ARG 50 16.663 2.015 -12.286 345 H MET 51 HN MET 51 9.099 0.121 -10.833 346 HA MET 51 HA MET 51 9.302 -0.531 -8.173 347 1HB MET 51 HB2 MET 51 8.309 -1.838 -10.590 348 2HB MET 51 HB1 MET 51 8.820 -2.976 -9.349 349 1HG MET 51 HG2 MET 51 7.403 -1.379 -7.802 350 2HG MET 51 HG1 MET 51 6.600 -1.013 -9.331 351 1HE MET 51 HE1 MET 51 6.195 -3.986 -6.393 352 2HE MET 51 HE2 MET 51 7.773 -3.342 -6.859 353 3HE MET 51 HE3 MET 51 7.288 -4.956 -7.379 354 H ILE 52 HN ILE 52 11.025 -1.049 -7.023 355 HA ILE 52 HA ILE 52 13.426 -2.074 -8.134 356 HB ILE 52 HB ILE 52 13.882 -2.608 -5.584 357 1HG1 ILE 52 2HG1 ILE 52 11.715 -0.512 -5.372 358 2HG1 ILE 52 1HG1 ILE 52 11.480 -2.207 -4.961 359 1HG2 ILE 52 1HG2 ILE 52 14.703 -0.338 -5.310 360 2HG2 ILE 52 2HG2 ILE 52 13.691 0.206 -6.648 361 3HG2 ILE 52 3HG2 ILE 52 15.016 -0.920 -6.944 362 1HD1 ILE 52 1HD1 ILE 52 13.171 -2.028 -3.224 363 2HD1 ILE 52 2HD1 ILE 52 11.891 -0.836 -2.989 364 3HD1 ILE 52 3HD1 ILE 52 13.448 -0.341 -3.656 365 HA PRO 53 HA PRO 53 13.004 -6.449 -8.140 366 1HB PRO 53 HB2 PRO 53 15.164 -7.269 -6.614 367 2HB PRO 53 HB1 PRO 53 15.241 -6.844 -8.325 368 1HG PRO 53 HG2 PRO 53 15.919 -5.191 -5.929 369 2HG PRO 53 HG1 PRO 53 16.751 -5.299 -7.493 370 1HD PRO 53 HD2 PRO 53 15.165 -3.225 -6.906 371 2HD PRO 53 HD1 PRO 53 15.217 -3.907 -8.546 372 H GLY 54 HN GLY 54 13.603 -4.925 -5.034 373 1HA GLY 54 HA2 GLY 54 12.936 -6.991 -3.302 374 2HA GLY 54 HA1 GLY 54 12.701 -5.284 -2.965 375 H PHE 55 HN PHE 55 10.739 -4.381 -4.365 376 HA PHE 55 HA PHE 55 8.460 -5.680 -3.324 377 1HB PHE 55 HB2 PHE 55 8.827 -3.377 -5.232 378 2HB PHE 55 HB1 PHE 55 7.236 -4.006 -4.840 379 HD1 PHE 55 HD1 PHE 55 6.816 -4.220 -2.178 380 HD2 PHE 55 HD2 PHE 55 9.546 -1.558 -4.074 381 HE1 PHE 55 HE1 PHE 55 6.720 -2.749 -0.231 382 HE2 PHE 55 HE2 PHE 55 9.452 -0.076 -2.113 383 HZ PHE 55 HZ PHE 55 8.033 -0.667 -0.193 384 H GLU 56 HN GLU 56 9.838 -5.383 -6.567 385 HA GLU 56 HA GLU 56 7.841 -6.666 -8.017 386 1HB GLU 56 HB2 GLU 56 10.186 -5.525 -8.675 387 2HB GLU 56 HB1 GLU 56 10.643 -7.217 -8.813 388 1HG GLU 56 HG2 GLU 56 9.061 -7.622 -10.496 389 2HG GLU 56 HG1 GLU 56 8.200 -6.122 -10.161 390 H ASP 57 HN ASP 57 10.038 -7.960 -5.727 391 HA ASP 57 HA ASP 57 9.972 -10.656 -6.711 392 1HB ASP 57 HB2 ASP 57 11.469 -9.229 -4.781 393 2HB ASP 57 HB1 ASP 57 10.646 -10.523 -3.918 394 H GLY 58 HN GLY 58 8.979 -9.544 -3.467 395 1HA GLY 58 HA2 GLY 58 7.121 -11.666 -3.190 396 2HA GLY 58 HA1 GLY 58 7.281 -10.286 -2.119 397 H ILE 59 HN ILE 59 6.586 -8.176 -3.567 398 HA ILE 59 HA ILE 59 3.767 -8.497 -3.911 399 HB ILE 59 HB ILE 59 5.389 -6.007 -4.467 400 1HG1 ILE 59 2HG1 ILE 59 4.809 -5.523 -1.994 401 2HG1 ILE 59 1HG1 ILE 59 4.667 -7.256 -1.823 402 1HG2 ILE 59 1HG2 ILE 59 2.642 -6.630 -4.493 403 2HG2 ILE 59 2HG2 ILE 59 3.391 -5.043 -4.650 404 3HG2 ILE 59 3HG2 ILE 59 2.916 -5.640 -3.062 405 1HD1 ILE 59 1HD1 ILE 59 6.936 -5.750 -1.521 406 2HD1 ILE 59 2HD1 ILE 59 7.111 -6.431 -3.131 407 3HD1 ILE 59 3HD1 ILE 59 6.876 -7.494 -1.750 408 H LYS 60 HN LYS 60 5.215 -9.913 -5.684 409 HA LYS 60 HA LYS 60 5.568 -8.845 -8.271 410 1HB LYS 60 HB2 LYS 60 5.011 -11.535 -7.191 411 2HB LYS 60 HB1 LYS 60 4.415 -11.286 -8.826 412 1HG LYS 60 HG2 LYS 60 6.787 -10.388 -9.306 413 2HG LYS 60 HG1 LYS 60 7.224 -11.220 -7.813 414 1HD LYS 60 HD2 LYS 60 7.633 -12.840 -9.409 415 2HD LYS 60 HD1 LYS 60 5.995 -13.241 -8.889 416 1HE LYS 60 HE2 LYS 60 5.096 -12.698 -10.880 417 2HE LYS 60 HE1 LYS 60 6.160 -11.307 -11.094 418 1HZ LYS 60 HZ1 LYS 60 6.609 -12.980 -12.752 419 2HZ LYS 60 HZ2 LYS 60 6.886 -14.149 -11.562 420 3HZ LYS 60 HZ3 LYS 60 7.942 -12.836 -11.719 421 H GLY 61 HN GLY 61 2.771 -10.300 -6.763 422 1HA GLY 61 HA2 GLY 61 0.597 -9.160 -6.750 423 2HA GLY 61 HA1 GLY 61 0.959 -8.638 -8.393 424 H HIS 62 HN HIS 62 1.424 -11.719 -6.809 425 HA HIS 62 HA HIS 62 -0.400 -12.959 -8.779 426 1HB HIS 62 HB2 HIS 62 1.077 -14.922 -8.832 427 2HB HIS 62 HB1 HIS 62 1.910 -13.465 -9.357 428 HD2 HIS 62 HD2 HIS 62 2.302 -12.836 -5.855 429 HE1 HIS 62 HE1 HIS 62 5.184 -15.870 -6.529 430 HE2 HIS 62 HE2 HIS 62 4.478 -13.963 -5.043 431 H LYS 63 HN LYS 63 0.371 -12.618 -5.468 432 HA LYS 63 HA LYS 63 -1.426 -14.862 -4.834 433 1HB LYS 63 HB2 LYS 63 0.958 -13.819 -3.311 434 2HB LYS 63 HB1 LYS 63 -0.243 -14.889 -2.601 435 1HG LYS 63 HG2 LYS 63 0.968 -15.758 -5.149 436 2HG LYS 63 HG1 LYS 63 1.998 -15.773 -3.717 437 1HD LYS 63 HD2 LYS 63 1.052 -17.668 -3.045 438 2HD LYS 63 HD1 LYS 63 -0.525 -16.873 -3.004 439 1HE LYS 63 HE2 LYS 63 -0.512 -18.875 -4.438 440 2HE LYS 63 HE1 LYS 63 -0.892 -17.404 -5.333 441 1HZ LYS 63 HZ1 LYS 63 0.882 -19.159 -6.170 442 2HZ LYS 63 HZ2 LYS 63 1.910 -18.201 -5.229 443 3HZ LYS 63 HZ3 LYS 63 1.029 -17.505 -6.495 444 H ALA 64 HN ALA 64 -3.241 -13.471 -4.960 445 HA ALA 64 HA ALA 64 -3.545 -11.086 -3.516 446 1HB ALA 64 HB1 ALA 64 -6.067 -11.827 -3.677 447 2HB ALA 64 HB2 ALA 64 -5.406 -13.035 -4.777 448 3HB ALA 64 HB3 ALA 64 -5.173 -11.319 -5.108 449 H GLY 65 HN GLY 65 -2.904 -11.202 -1.370 450 1HA GLY 65 HA2 GLY 65 -3.799 -11.366 0.855 451 2HA GLY 65 HA1 GLY 65 -4.662 -12.812 0.359 452 H GLU 66 HN GLU 66 -1.272 -12.138 -0.284 453 HA GLU 66 HA GLU 66 -0.563 -14.565 1.194 454 1HB GLU 66 HB2 GLU 66 0.138 -14.471 -1.116 455 2HB GLU 66 HB1 GLU 66 0.970 -12.951 -0.845 456 1HG GLU 66 HG2 GLU 66 2.543 -14.077 0.635 457 2HG GLU 66 HG1 GLU 66 1.691 -15.599 0.392 458 H GLU 67 HN GLU 67 1.588 -14.558 2.281 459 HA GLU 67 HA GLU 67 2.232 -11.992 3.559 460 1HB GLU 67 HB2 GLU 67 0.855 -13.258 5.140 461 2HB GLU 67 HB1 GLU 67 1.900 -14.659 4.955 462 1HG GLU 67 HG2 GLU 67 3.735 -12.903 5.742 463 2HG GLU 67 HG1 GLU 67 2.323 -12.166 6.494 464 H PHE 68 HN PHE 68 4.211 -11.596 2.726 465 HA PHE 68 HA PHE 68 6.266 -13.680 3.056 466 1HB PHE 68 HB2 PHE 68 7.202 -12.956 0.820 467 2HB PHE 68 HB1 PHE 68 5.680 -13.845 0.745 468 HD1 PHE 68 HD1 PHE 68 3.730 -12.859 -0.108 469 HD2 PHE 68 HD2 PHE 68 7.193 -10.499 0.584 470 HE1 PHE 68 HE1 PHE 68 2.677 -10.988 -1.288 471 HE2 PHE 68 HE2 PHE 68 6.145 -8.616 -0.612 472 HZ PHE 68 HZ PHE 68 3.883 -8.863 -1.552 473 H THR 69 HN THR 69 8.493 -12.755 2.763 474 HA THR 69 HA THR 69 8.613 -9.967 3.674 475 HB THR 69 HB THR 69 10.316 -12.260 4.668 476 HG1 THR 69 HG1 THR 69 9.204 -11.956 6.597 477 1HG2 THR 69 1HG2 THR 69 11.770 -10.718 5.299 478 2HG2 THR 69 2HG2 THR 69 10.545 -10.151 6.435 479 3HG2 THR 69 3HG2 THR 69 10.687 -9.405 4.845 480 H ILE 70 HN ILE 70 9.862 -8.684 2.425 481 HA ILE 70 HA ILE 70 12.050 -9.984 0.941 482 HB ILE 70 HB ILE 70 11.567 -8.772 -1.075 483 1HG1 ILE 70 2HG1 ILE 70 10.598 -6.748 0.014 484 2HG1 ILE 70 1HG1 ILE 70 9.651 -7.321 -1.354 485 1HG2 ILE 70 1HG2 ILE 70 10.010 -10.840 -0.079 486 2HG2 ILE 70 2HG2 ILE 70 10.156 -10.345 -1.765 487 3HG2 ILE 70 3HG2 ILE 70 8.847 -9.708 -0.769 488 1HD1 ILE 70 1HD1 ILE 70 7.889 -7.200 -0.021 489 2HD1 ILE 70 2HD1 ILE 70 8.902 -6.986 1.410 490 3HD1 ILE 70 3HD1 ILE 70 8.535 -8.610 0.822 491 H ASP 71 HN ASP 71 13.539 -8.322 -0.027 492 HA ASP 71 HA ASP 71 14.075 -6.304 2.015 493 1HB ASP 71 HB2 ASP 71 16.279 -6.096 0.828 494 2HB ASP 71 HB1 ASP 71 15.967 -7.705 1.476 495 H VAL 72 HN VAL 72 14.428 -4.092 1.417 496 HA VAL 72 HA VAL 72 13.705 -3.353 -1.308 497 HB VAL 72 HB VAL 72 12.186 -1.517 -0.291 498 1HG1 VAL 72 1HG1 VAL 72 11.187 -4.360 -0.363 499 2HG1 VAL 72 2HG1 VAL 72 11.470 -3.354 -1.783 500 3HG1 VAL 72 3HG1 VAL 72 10.235 -2.893 -0.609 501 1HG2 VAL 72 1HG2 VAL 72 12.903 -2.493 2.069 502 2HG2 VAL 72 2HG2 VAL 72 11.499 -3.523 1.784 503 3HG2 VAL 72 3HG2 VAL 72 11.320 -1.769 1.796 504 H THR 73 HN THR 73 14.892 -1.678 -2.025 505 HA THR 73 HA THR 73 15.869 0.322 -0.195 506 HB THR 73 HB THR 73 17.696 -1.509 -1.766 507 HG1 THR 73 HG1 THR 73 17.183 -2.156 0.364 508 1HG2 THR 73 1HG2 THR 73 18.141 1.267 -0.901 509 2HG2 THR 73 2HG2 THR 73 18.919 0.330 -2.177 510 3HG2 THR 73 3HG2 THR 73 19.416 0.116 -0.498 511 H PHE 74 HN PHE 74 15.539 2.214 -1.201 512 HA PHE 74 HA PHE 74 14.909 2.187 -4.006 513 1HB PHE 74 HB2 PHE 74 14.775 4.296 -1.876 514 2HB PHE 74 HB1 PHE 74 14.408 4.634 -3.566 515 HD1 PHE 74 HD1 PHE 74 13.564 1.936 -1.110 516 HD2 PHE 74 HD2 PHE 74 12.190 4.690 -4.032 517 HE1 PHE 74 HE1 PHE 74 11.264 1.112 -0.800 518 HE2 PHE 74 HE2 PHE 74 9.888 3.881 -3.735 519 HZ PHE 74 HZ PHE 74 9.422 2.095 -2.114 520 HA PRO 75 HA PRO 75 18.906 3.358 -5.498 521 1HB PRO 75 HB2 PRO 75 18.093 4.541 -7.838 522 2HB PRO 75 HB1 PRO 75 18.265 2.798 -7.615 523 1HG PRO 75 HG2 PRO 75 15.806 4.494 -7.509 524 2HG PRO 75 HG1 PRO 75 16.029 2.885 -8.221 525 1HD PRO 75 HD2 PRO 75 14.836 3.235 -5.838 526 2HD PRO 75 HD1 PRO 75 15.852 1.818 -6.179 527 H GLU 76 HN GLU 76 19.792 5.422 -6.764 528 HA GLU 76 HA GLU 76 19.465 7.597 -4.932 529 1HB GLU 76 HB2 GLU 76 21.626 6.827 -6.120 530 2HB GLU 76 HB1 GLU 76 21.026 7.743 -7.495 531 1HG GLU 76 HG2 GLU 76 21.690 9.662 -6.613 532 2HG GLU 76 HG1 GLU 76 20.898 9.308 -5.078 533 H GLU 77 HN GLU 77 18.007 6.733 -7.890 534 HA GLU 77 HA GLU 77 17.311 9.458 -8.594 535 1HB GLU 77 HB2 GLU 77 15.927 8.289 -10.382 536 2HB GLU 77 HB1 GLU 77 17.668 8.068 -10.475 537 1HG GLU 77 HG2 GLU 77 16.158 6.037 -8.954 538 2HG GLU 77 HG1 GLU 77 15.913 6.068 -10.699 539 H TYR 78 HN TYR 78 15.825 6.605 -7.181 540 HA TYR 78 HA TYR 78 13.204 7.782 -7.026 541 1HB TYR 78 HB2 TYR 78 13.882 5.253 -7.058 542 2HB TYR 78 HB1 TYR 78 14.056 5.473 -5.322 543 HD1 TYR 78 HD1 TYR 78 12.009 3.881 -7.245 544 HD2 TYR 78 HD2 TYR 78 11.789 7.343 -4.776 545 HE1 TYR 78 HE1 TYR 78 9.594 3.531 -6.969 546 HE2 TYR 78 HE2 TYR 78 9.374 7.003 -4.503 547 HH TYR 78 HH TYR 78 7.506 5.585 -6.209 548 H HIS 79 HN HIS 79 14.089 9.794 -6.007 549 HA HIS 79 HA HIS 79 14.443 9.424 -3.115 550 1HB HIS 79 HB2 HIS 79 15.491 11.471 -5.031 551 2HB HIS 79 HB1 HIS 79 15.322 11.876 -3.324 552 HD2 HIS 79 HD2 HIS 79 16.395 8.251 -3.718 553 HE1 HIS 79 HE1 HIS 79 19.944 10.502 -3.117 554 HE2 HIS 79 HE2 HIS 79 18.907 8.207 -3.096 555 H ALA 80 HN ALA 80 12.123 9.240 -2.885 556 HA ALA 80 HA ALA 80 10.484 11.550 -3.457 557 1HB ALA 80 HB1 ALA 80 9.997 8.826 -3.059 558 2HB ALA 80 HB2 ALA 80 8.803 10.094 -3.339 559 3HB ALA 80 HB3 ALA 80 9.238 9.641 -1.691 560 H GLU 81 HN GLU 81 9.728 13.033 -2.002 561 HA GLU 81 HA GLU 81 11.245 13.778 0.164 562 1HB GLU 81 HB2 GLU 81 9.538 15.182 -0.987 563 2HB GLU 81 HB1 GLU 81 8.283 14.289 -0.139 564 1HG GLU 81 HG2 GLU 81 9.518 15.019 1.999 565 2HG GLU 81 HG1 GLU 81 10.299 16.206 0.956 566 H ASN 82 HN ASN 82 8.933 11.217 0.057 567 HA ASN 82 HA ASN 82 8.599 11.207 2.945 568 1HB ASN 82 HB2 ASN 82 7.160 9.148 2.417 569 2HB ASN 82 HB1 ASN 82 6.580 10.718 1.870 570 1HD2 ASN 82 1HD2 ASN 82 8.113 7.734 0.879 571 2HD2 ASN 82 2HD2 ASN 82 7.700 7.858 -0.794 572 H LEU 83 HN LEU 83 10.001 9.044 0.462 573 HA LEU 83 HA LEU 83 11.526 7.802 2.641 574 1HB LEU 83 HB2 LEU 83 10.948 5.651 2.124 575 2HB LEU 83 HB1 LEU 83 9.446 6.500 1.853 576 HG LEU 83 HG LEU 83 9.453 5.151 0.023 577 1HD1 LEU 83 1HD1 LEU 83 10.018 7.735 -0.621 578 2HD1 LEU 83 2HD1 LEU 83 9.543 6.478 -1.758 579 3HD1 LEU 83 3HD1 LEU 83 11.248 6.854 -1.524 580 1HD2 LEU 83 1HD2 LEU 83 12.428 5.372 -0.259 581 2HD2 LEU 83 2HD2 LEU 83 11.348 4.254 -1.062 582 3HD2 LEU 83 3HD2 LEU 83 11.605 4.118 0.668 583 H LYS 84 HN LYS 84 12.079 9.651 0.247 584 HA LYS 84 HA LYS 84 13.528 8.715 -1.769 585 1HB LYS 84 HB2 LYS 84 15.043 10.638 -1.577 586 2HB LYS 84 HB1 LYS 84 13.374 11.093 -1.282 587 1HG LYS 84 HG2 LYS 84 13.780 11.719 0.825 588 2HG LYS 84 HG1 LYS 84 14.881 10.374 1.124 589 1HD LYS 84 HD2 LYS 84 16.712 11.519 0.294 590 2HD LYS 84 HD1 LYS 84 15.719 12.606 -0.678 591 1HE LYS 84 HE2 LYS 84 14.882 13.175 1.864 592 2HE LYS 84 HE1 LYS 84 16.596 12.842 2.104 593 1HZ LYS 84 HZ1 LYS 84 15.573 14.724 0.054 594 2HZ LYS 84 HZ2 LYS 84 17.176 14.521 0.554 595 3HZ LYS 84 HZ3 LYS 84 16.041 15.205 1.606 596 H GLY 85 HN GLY 85 15.190 7.427 -2.177 597 1HA GLY 85 HA2 GLY 85 16.867 5.894 -1.782 598 2HA GLY 85 HA1 GLY 85 17.627 7.252 -0.968 599 H LYS 86 HN LYS 86 14.904 5.070 -0.218 600 HA LYS 86 HA LYS 86 15.962 4.833 2.504 601 1HB LYS 86 HB2 LYS 86 13.519 5.445 1.936 602 2HB LYS 86 HB1 LYS 86 13.327 3.730 1.609 603 1HG LYS 86 HG2 LYS 86 14.519 4.580 4.197 604 2HG LYS 86 HG1 LYS 86 12.777 4.734 3.959 605 1HD LYS 86 HD2 LYS 86 14.384 2.202 3.616 606 2HD LYS 86 HD1 LYS 86 13.361 2.592 5.000 607 1HE LYS 86 HE2 LYS 86 11.702 1.581 3.912 608 2HE LYS 86 HE1 LYS 86 11.700 2.960 2.815 609 1HZ LYS 86 HZ1 LYS 86 13.735 1.229 2.002 610 2HZ LYS 86 HZ2 LYS 86 12.299 1.600 1.189 611 3HZ LYS 86 HZ3 LYS 86 12.353 0.287 2.253 612 H ALA 87 HN ALA 87 17.560 3.304 2.382 613 HA ALA 87 HA ALA 87 17.060 0.738 1.115 614 1HB ALA 87 HB1 ALA 87 19.310 1.936 1.127 615 2HB ALA 87 HB2 ALA 87 19.324 0.224 1.558 616 3HB ALA 87 HB3 ALA 87 19.435 1.451 2.819 617 H ALA 88 HN ALA 88 15.500 -0.363 2.267 618 HA ALA 88 HA ALA 88 16.181 -0.974 5.061 619 1HB ALA 88 HB1 ALA 88 14.550 0.837 5.038 620 2HB ALA 88 HB2 ALA 88 13.888 -0.623 5.761 621 3HB ALA 88 HB3 ALA 88 13.441 -0.172 4.114 622 H LYS 89 HN LYS 89 14.282 -2.469 5.883 623 HA LYS 89 HA LYS 89 14.041 -4.756 4.033 624 1HB LYS 89 HB2 LYS 89 15.312 -4.643 6.599 625 2HB LYS 89 HB1 LYS 89 13.877 -5.646 6.740 626 1HG LYS 89 HG2 LYS 89 15.205 -7.294 6.036 627 2HG LYS 89 HG1 LYS 89 14.972 -6.589 4.435 628 1HD LYS 89 HD2 LYS 89 17.228 -5.937 6.330 629 2HD LYS 89 HD1 LYS 89 17.343 -6.996 4.922 630 1HE LYS 89 HE2 LYS 89 16.786 -5.140 3.455 631 2HE LYS 89 HE1 LYS 89 16.587 -4.077 4.848 632 1HZ LYS 89 HZ1 LYS 89 19.059 -5.182 3.700 633 2HZ LYS 89 HZ2 LYS 89 19.015 -4.767 5.338 634 3HZ LYS 89 HZ3 LYS 89 18.710 -3.593 4.162 635 H PHE 90 HN PHE 90 11.995 -5.730 3.967 636 HA PHE 90 HA PHE 90 9.958 -4.685 5.810 637 1HB PHE 90 HB2 PHE 90 9.599 -4.876 2.815 638 2HB PHE 90 HB1 PHE 90 8.312 -4.561 3.965 639 HD1 PHE 90 HD1 PHE 90 8.406 -2.865 1.859 640 HD2 PHE 90 HD2 PHE 90 10.830 -2.727 5.327 641 HE1 PHE 90 HE1 PHE 90 8.696 -0.428 1.555 642 HE2 PHE 90 HE2 PHE 90 11.142 -0.305 5.042 643 HZ PHE 90 HZ PHE 90 10.068 0.850 3.150 644 H ALA 91 HN ALA 91 8.141 -6.063 6.127 645 HA ALA 91 HA ALA 91 8.321 -8.719 4.905 646 1HB ALA 91 HB1 ALA 91 6.949 -8.802 7.420 647 2HB ALA 91 HB2 ALA 91 8.533 -8.066 7.663 648 3HB ALA 91 HB3 ALA 91 8.408 -9.669 6.941 649 H ILE 92 HN ILE 92 6.787 -8.516 3.422 650 HA ILE 92 HA ILE 92 4.405 -6.948 4.003 651 HB ILE 92 HB ILE 92 5.301 -8.055 1.361 652 1HG1 ILE 92 2HG1 ILE 92 6.122 -5.554 2.810 653 2HG1 ILE 92 1HG1 ILE 92 7.126 -6.754 2.041 654 1HG2 ILE 92 1HG2 ILE 92 3.318 -5.969 2.173 655 2HG2 ILE 92 2HG2 ILE 92 3.077 -7.410 1.184 656 3HG2 ILE 92 3HG2 ILE 92 3.990 -6.046 0.545 657 1HD1 ILE 92 1HD1 ILE 92 6.018 -4.329 0.980 658 2HD1 ILE 92 2HD1 ILE 92 5.570 -5.718 -0.011 659 3HD1 ILE 92 3HD1 ILE 92 7.271 -5.380 0.320 660 H ASN 93 HN ASN 93 2.390 -7.494 3.038 661 HA ASN 93 HA ASN 93 1.779 -10.343 2.796 662 1HB ASN 93 HB2 ASN 93 0.439 -8.323 4.584 663 2HB ASN 93 HB1 ASN 93 -0.423 -9.742 4.009 664 1HD2 ASN 93 1HD2 ASN 93 2.655 -8.871 5.543 665 2HD2 ASN 93 2HD2 ASN 93 2.678 -10.208 6.637 666 H LEU 94 HN LEU 94 1.250 -10.377 0.642 667 HA LEU 94 HA LEU 94 0.117 -8.190 -0.738 668 1HB LEU 94 HB2 LEU 94 1.443 -10.094 -1.725 669 2HB LEU 94 HB1 LEU 94 -0.008 -11.067 -1.604 670 HG LEU 94 HG LEU 94 -1.155 -9.388 -3.079 671 1HD1 LEU 94 1HD1 LEU 94 -0.102 -7.415 -3.210 672 2HD1 LEU 94 2HD1 LEU 94 0.859 -8.201 -4.461 673 3HD1 LEU 94 3HD1 LEU 94 1.469 -8.110 -2.810 674 1HD2 LEU 94 1HD2 LEU 94 0.402 -11.537 -3.725 675 2HD2 LEU 94 2HD2 LEU 94 1.091 -10.267 -4.735 676 3HD2 LEU 94 3HD2 LEU 94 -0.626 -10.651 -4.851 677 H LYS 95 HN LYS 95 -1.969 -8.043 -1.778 678 HA LYS 95 HA LYS 95 -4.078 -9.725 -0.733 679 1HB LYS 95 HB2 LYS 95 -3.982 -6.768 -0.134 680 2HB LYS 95 HB1 LYS 95 -5.418 -7.762 0.054 681 1HG LYS 95 HG2 LYS 95 -4.207 -9.161 1.676 682 2HG LYS 95 HG1 LYS 95 -2.811 -8.091 1.526 683 1HD LYS 95 HD2 LYS 95 -3.701 -6.615 2.944 684 2HD LYS 95 HD1 LYS 95 -5.224 -6.590 2.054 685 1HE LYS 95 HE2 LYS 95 -4.747 -9.008 3.660 686 2HE LYS 95 HE1 LYS 95 -4.940 -7.522 4.586 687 1HZ LYS 95 HZ1 LYS 95 -6.910 -7.656 2.565 688 2HZ LYS 95 HZ2 LYS 95 -7.115 -7.593 4.242 689 3HZ LYS 95 HZ3 LYS 95 -6.937 -9.087 3.469 690 H LYS 96 HN LYS 96 -5.149 -6.652 -1.725 691 HA LYS 96 HA LYS 96 -6.417 -7.780 -4.001 692 1HB LYS 96 HB2 LYS 96 -6.373 -5.100 -2.710 693 2HB LYS 96 HB1 LYS 96 -6.955 -5.209 -4.364 694 1HG LYS 96 HG2 LYS 96 -8.840 -5.362 -2.938 695 2HG LYS 96 HG1 LYS 96 -8.551 -6.972 -3.600 696 1HD LYS 96 HD2 LYS 96 -7.286 -7.505 -1.497 697 2HD LYS 96 HD1 LYS 96 -7.857 -5.966 -0.846 698 1HE LYS 96 HE2 LYS 96 -10.051 -7.459 -1.955 699 2HE LYS 96 HE1 LYS 96 -9.165 -8.448 -0.794 700 1HZ LYS 96 HZ1 LYS 96 -10.809 -7.283 0.404 701 2HZ LYS 96 HZ2 LYS 96 -10.428 -5.809 -0.328 702 3HZ LYS 96 HZ3 LYS 96 -9.346 -6.513 0.764 703 H VAL 97 HN VAL 97 -5.174 -8.356 -5.690 704 HA VAL 97 HA VAL 97 -3.398 -6.334 -6.861 705 HB VAL 97 HB VAL 97 -2.102 -8.254 -6.326 706 1HG1 VAL 97 1HG1 VAL 97 -4.541 -9.699 -6.977 707 2HG1 VAL 97 2HG1 VAL 97 -3.210 -10.149 -5.910 708 3HG1 VAL 97 3HG1 VAL 97 -3.097 -10.459 -7.643 709 1HG2 VAL 97 1HG2 VAL 97 -2.422 -7.413 -8.952 710 2HG2 VAL 97 2HG2 VAL 97 -2.424 -9.175 -9.053 711 3HG2 VAL 97 3HG2 VAL 97 -1.069 -8.335 -8.298 712 H GLU 98 HN GLU 98 -4.545 -5.283 -8.411 713 HA GLU 98 HA GLU 98 -6.133 -6.934 -10.270 714 1HB GLU 98 HB2 GLU 98 -6.725 -4.116 -9.358 715 2HB GLU 98 HB1 GLU 98 -7.659 -5.024 -10.534 716 1HG GLU 98 HG2 GLU 98 -8.896 -5.288 -8.615 717 2HG GLU 98 HG1 GLU 98 -7.922 -6.759 -8.636 718 H GLU 99 HN GLU 99 -6.730 -5.033 -12.184 719 HA GLU 99 HA GLU 99 -4.063 -4.345 -13.213 720 1HB GLU 99 HB2 GLU 99 -5.260 -6.170 -14.430 721 2HB GLU 99 HB1 GLU 99 -6.505 -5.000 -14.850 722 1HG GLU 99 HG2 GLU 99 -4.033 -3.861 -15.576 723 2HG GLU 99 HG1 GLU 99 -4.022 -5.531 -16.143 724 H ARG 100 HN ARG 100 -4.051 -2.265 -12.372 725 HA ARG 100 HA ARG 100 -6.139 -0.386 -12.919 726 1HB ARG 100 HB2 ARG 100 -4.623 1.266 -11.981 727 2HB ARG 100 HB1 ARG 100 -4.635 -0.177 -10.975 728 1HG ARG 100 HG2 ARG 100 -2.432 -0.300 -11.143 729 2HG ARG 100 HG1 ARG 100 -2.584 -0.518 -12.882 730 1HD ARG 100 HD2 ARG 100 -2.963 2.229 -12.373 731 2HD ARG 100 HD1 ARG 100 -1.562 1.724 -11.429 732 HE ARG 100 HE ARG 100 -1.570 0.834 -14.178 733 1HH1 ARG 100 1HH1 ARG 100 -0.579 3.328 -11.943 734 2HH1 ARG 100 2HH1 ARG 100 0.700 3.898 -12.962 735 1HH2 ARG 100 1HH2 ARG 100 0.115 1.578 -15.506 736 2HH2 ARG 100 2HH2 ARG 100 1.097 2.905 -14.980 737 H GLU 101 HN GLU 101 -6.152 1.298 -14.392 738 HA GLU 101 HA GLU 101 -3.991 1.646 -16.263 739 1HB GLU 101 HB2 GLU 101 -5.344 -0.307 -17.147 740 2HB GLU 101 HB1 GLU 101 -6.677 0.819 -17.364 741 1HG GLU 101 HG2 GLU 101 -4.893 2.191 -18.699 742 2HG GLU 101 HG1 GLU 101 -4.101 0.621 -18.833 743 H LEU 102 HN LEU 102 -4.518 3.556 -14.709 744 HA LEU 102 HA LEU 102 -6.735 5.207 -15.439 745 1HB LEU 102 HB2 LEU 102 -4.331 5.587 -13.687 746 2HB LEU 102 HB1 LEU 102 -5.387 6.932 -14.064 747 HG LEU 102 HG LEU 102 -7.239 5.890 -12.961 748 1HD1 LEU 102 1HD1 LEU 102 -6.602 3.551 -13.718 749 2HD1 LEU 102 2HD1 LEU 102 -7.259 3.703 -12.093 750 3HD1 LEU 102 3HD1 LEU 102 -5.523 3.507 -12.326 751 1HD2 LEU 102 1HD2 LEU 102 -5.981 7.027 -11.385 752 2HD2 LEU 102 2HD2 LEU 102 -4.639 5.886 -11.492 753 3HD2 LEU 102 3HD2 LEU 102 -6.131 5.419 -10.674 754 HA PRO 103 HA PRO 103 -3.256 7.840 -17.585 755 1HB PRO 103 HB2 PRO 103 -1.145 5.847 -18.085 756 2HB PRO 103 HB1 PRO 103 -1.010 7.487 -17.446 757 1HG PRO 103 HG2 PRO 103 -0.640 5.335 -15.888 758 2HG PRO 103 HG1 PRO 103 -1.399 6.815 -15.272 759 1HD PRO 103 HD2 PRO 103 -2.678 4.245 -16.134 760 2HD PRO 103 HD1 PRO 103 -3.048 5.276 -14.739 761 H GLU 104 HN GLU 104 -3.781 8.141 -19.661 762 HA GLU 104 HA GLU 104 -4.476 5.815 -21.280 763 1HB GLU 104 HB2 GLU 104 -5.779 8.151 -20.959 764 2HB GLU 104 HB1 GLU 104 -4.810 8.551 -22.374 765 1HG GLU 104 HG2 GLU 104 -5.967 5.980 -22.760 766 2HG GLU 104 HG1 GLU 104 -7.229 7.100 -22.247 767 H LEU 105 HN LEU 105 -1.732 6.175 -20.794 768 HA LEU 105 HA LEU 105 -0.647 7.278 -23.273 769 1HB LEU 105 HB2 LEU 105 0.344 6.846 -20.568 770 2HB LEU 105 HB1 LEU 105 1.466 6.266 -21.784 771 HG LEU 105 HG LEU 105 1.943 8.580 -21.090 772 1HD1 LEU 105 1HD1 LEU 105 2.313 7.638 -23.456 773 2HD1 LEU 105 2HD1 LEU 105 2.414 9.384 -23.222 774 3HD1 LEU 105 3HD1 LEU 105 0.959 8.668 -23.918 775 1HD2 LEU 105 1HD2 LEU 105 -0.012 9.641 -20.545 776 2HD2 LEU 105 2HD2 LEU 105 -0.898 8.944 -21.902 777 3HD2 LEU 105 3HD2 LEU 105 0.235 10.268 -22.175 778 H THR 106 HN THR 106 1.495 5.826 -23.840 779 HA THR 106 HA THR 106 2.236 3.946 -24.883 780 HB THR 106 HB THR 106 0.335 2.295 -23.246 781 HG1 THR 106 HG1 THR 106 2.751 3.433 -22.296 782 1HG2 THR 106 1HG2 THR 106 3.177 1.895 -24.139 783 2HG2 THR 106 2HG2 THR 106 1.747 1.031 -24.703 784 3HG2 THR 106 3HG2 THR 106 2.308 0.819 -23.045 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -10.513 22.268 -10.292 2 2H GLY 1 HT2 GLY 1 -9.387 21.193 -9.633 3 3H GLY 1 HT3 GLY 1 -9.173 22.861 -9.446 4 1HA GLY 1 HA1 GLY 1 -11.326 22.906 -8.192 5 2HA GLY 1 HA2 GLY 1 -11.248 21.150 -8.201 6 H SER 2 HN SER 2 -11.315 21.580 -5.823 7 HA SER 2 HA SER 2 -8.748 22.422 -4.707 8 1HB SER 2 HB2 SER 2 -11.002 21.547 -2.962 9 2HB SER 2 HB1 SER 2 -9.842 22.855 -2.731 10 HG SER 2 HG SER 2 -10.999 23.881 -4.561 11 H HIS 3 HN HIS 3 -10.879 19.619 -4.890 12 HA HIS 3 HA HIS 3 -8.800 17.993 -3.591 13 1HB HIS 3 HB2 HIS 3 -11.241 18.058 -2.730 14 2HB HIS 3 HB1 HIS 3 -11.608 17.057 -4.131 15 HD2 HIS 3 HD2 HIS 3 -10.391 16.663 -0.559 16 HE1 HIS 3 HE1 HIS 3 -9.515 13.011 -2.534 17 HE2 HIS 3 HE2 HIS 3 -9.650 14.197 -0.314 18 H MET 4 HN MET 4 -7.982 16.173 -4.580 19 HA MET 4 HA MET 4 -8.482 15.998 -7.465 20 1HB MET 4 HB2 MET 4 -6.331 14.750 -7.534 21 2HB MET 4 HB1 MET 4 -6.171 16.387 -6.910 22 1HG MET 4 HG2 MET 4 -6.651 14.471 -4.795 23 2HG MET 4 HG1 MET 4 -5.226 14.062 -5.746 24 1HE MET 4 HE1 MET 4 -5.698 14.641 -2.863 25 2HE MET 4 HE2 MET 4 -5.863 16.330 -2.388 26 3HE MET 4 HE3 MET 4 -4.278 15.557 -2.359 27 H GLN 5 HN GLN 5 -10.137 14.622 -7.794 28 HA GLN 5 HA GLN 5 -10.490 12.243 -6.217 29 1HB GLN 5 HB2 GLN 5 -11.930 13.532 -8.493 30 2HB GLN 5 HB1 GLN 5 -12.238 11.834 -8.156 31 1HG GLN 5 HG2 GLN 5 -12.358 13.204 -5.694 32 2HG GLN 5 HG1 GLN 5 -13.288 14.141 -6.863 33 1HE2 GLN 5 1HE2 GLN 5 -14.746 12.731 -8.276 34 2HE2 GLN 5 2HE2 GLN 5 -15.654 11.518 -7.447 35 H ALA 6 HN ALA 6 -9.519 10.362 -6.548 36 HA ALA 6 HA ALA 6 -7.942 9.920 -8.920 37 1HB ALA 6 HB1 ALA 6 -8.155 7.588 -7.257 38 2HB ALA 6 HB2 ALA 6 -7.858 9.018 -6.269 39 3HB ALA 6 HB3 ALA 6 -6.755 8.608 -7.581 40 H THR 7 HN THR 7 -8.129 8.042 -10.275 41 HA THR 7 HA THR 7 -10.825 6.873 -10.369 42 HB THR 7 HB THR 7 -10.731 8.652 -12.035 43 HG1 THR 7 HG1 THR 7 -10.695 6.003 -13.005 44 1HG2 THR 7 1HG2 THR 7 -9.035 9.083 -13.400 45 2HG2 THR 7 2HG2 THR 7 -8.833 7.384 -13.830 46 3HG2 THR 7 3HG2 THR 7 -8.086 8.019 -12.363 47 H TRP 8 HN TRP 8 -10.925 4.736 -10.872 48 HA TRP 8 HA TRP 8 -8.480 3.405 -11.785 49 1HB TRP 8 HB2 TRP 8 -10.082 2.631 -9.343 50 2HB TRP 8 HB1 TRP 8 -8.869 1.595 -10.091 51 HD1 TRP 8 HD1 TRP 8 -9.075 5.128 -8.504 52 HE1 TRP 8 HE1 TRP 8 -6.833 5.604 -7.334 53 HE3 TRP 8 HE3 TRP 8 -6.541 0.873 -9.818 54 HZ2 TRP 8 HZ2 TRP 8 -4.331 4.349 -7.009 55 HZ3 TRP 8 HZ3 TRP 8 -4.238 0.602 -9.036 56 HH2 TRP 8 HH2 TRP 8 -3.153 2.300 -7.660 57 H LYS 9 HN LYS 9 -8.795 1.374 -12.756 58 HA LYS 9 HA LYS 9 -11.514 0.472 -13.258 59 1HB LYS 9 HB2 LYS 9 -10.998 0.358 -15.743 60 2HB LYS 9 HB1 LYS 9 -11.321 1.958 -15.088 61 1HG LYS 9 HG2 LYS 9 -8.774 2.159 -14.860 62 2HG LYS 9 HG1 LYS 9 -8.714 0.777 -15.956 63 1HD LYS 9 HD2 LYS 9 -10.564 2.714 -16.968 64 2HD LYS 9 HD1 LYS 9 -9.026 3.503 -16.610 65 1HE LYS 9 HE2 LYS 9 -7.902 1.672 -17.898 66 2HE LYS 9 HE1 LYS 9 -9.500 1.120 -18.391 67 1HZ LYS 9 HZ1 LYS 9 -9.871 3.359 -19.330 68 2HZ LYS 9 HZ2 LYS 9 -8.612 2.519 -20.085 69 3HZ LYS 9 HZ3 LYS 9 -8.263 3.750 -18.979 70 H GLU 10 HN GLU 10 -9.172 -0.536 -11.850 71 HA GLU 10 HA GLU 10 -7.867 -2.485 -13.404 72 1HB GLU 10 HB2 GLU 10 -7.342 -3.486 -11.088 73 2HB GLU 10 HB1 GLU 10 -6.683 -1.920 -11.504 74 1HG GLU 10 HG2 GLU 10 -7.560 -2.051 -9.202 75 2HG GLU 10 HG1 GLU 10 -8.329 -0.802 -10.177 76 H LYS 11 HN LYS 11 -8.136 -4.632 -13.670 77 HA LYS 11 HA LYS 11 -10.791 -5.634 -13.645 78 1HB LYS 11 HB2 LYS 11 -9.716 -7.749 -14.425 79 2HB LYS 11 HB1 LYS 11 -9.255 -6.340 -15.364 80 1HG LYS 11 HG2 LYS 11 -7.130 -6.224 -14.269 81 2HG LYS 11 HG1 LYS 11 -7.590 -7.499 -13.144 82 1HD LYS 11 HD2 LYS 11 -7.976 -8.474 -15.788 83 2HD LYS 11 HD1 LYS 11 -6.373 -7.741 -15.704 84 1HE LYS 11 HE2 LYS 11 -6.675 -9.221 -13.339 85 2HE LYS 11 HE1 LYS 11 -7.296 -10.244 -14.633 86 1HZ LYS 11 HZ1 LYS 11 -5.093 -10.762 -14.694 87 2HZ LYS 11 HZ2 LYS 11 -4.584 -9.226 -14.203 88 3HZ LYS 11 HZ3 LYS 11 -5.098 -9.476 -15.795 89 H ASP 12 HN ASP 12 -10.362 -8.346 -12.874 90 HA ASP 12 HA ASP 12 -9.956 -8.083 -9.971 91 1HB ASP 12 HB2 ASP 12 -12.390 -8.473 -11.112 92 2HB ASP 12 HB1 ASP 12 -11.867 -10.140 -10.890 93 H GLY 13 HN GLY 13 -8.220 -9.067 -12.228 94 1HA GLY 13 HA2 GLY 13 -7.913 -11.876 -11.400 95 2HA GLY 13 HA1 GLY 13 -7.310 -11.200 -12.901 96 H ALA 14 HN ALA 14 -5.270 -12.138 -12.398 97 HA ALA 14 HA ALA 14 -3.815 -11.473 -10.055 98 1HB ALA 14 HB1 ALA 14 -2.370 -13.004 -10.787 99 2HB ALA 14 HB2 ALA 14 -2.191 -12.218 -12.356 100 3HB ALA 14 HB3 ALA 14 -3.542 -13.313 -12.068 101 H VAL 15 HN VAL 15 -1.320 -10.790 -10.853 102 HA VAL 15 HA VAL 15 -1.489 -7.952 -11.146 103 HB VAL 15 HB VAL 15 0.335 -8.990 -9.882 104 1HG1 VAL 15 1HG1 VAL 15 2.153 -10.148 -10.978 105 2HG1 VAL 15 2HG1 VAL 15 1.359 -9.959 -12.542 106 3HG1 VAL 15 3HG1 VAL 15 0.630 -10.977 -11.299 107 1HG2 VAL 15 1HG2 VAL 15 1.624 -7.227 -10.289 108 2HG2 VAL 15 2HG2 VAL 15 0.528 -6.843 -11.608 109 3HG2 VAL 15 3HG2 VAL 15 1.989 -7.775 -11.924 110 H GLU 16 HN GLU 16 -0.666 -6.670 -12.925 111 HA GLU 16 HA GLU 16 -0.317 -8.113 -15.435 112 1HB GLU 16 HB2 GLU 16 -2.331 -5.994 -14.809 113 2HB GLU 16 HB1 GLU 16 -1.620 -6.045 -16.417 114 1HG GLU 16 HG2 GLU 16 -2.313 -8.634 -16.103 115 2HG GLU 16 HG1 GLU 16 -3.560 -7.844 -15.142 116 H ALA 17 HN ALA 17 0.730 -6.819 -17.056 117 HA ALA 17 HA ALA 17 3.125 -5.908 -16.745 118 1HB ALA 17 HB1 ALA 17 1.019 -4.870 -18.497 119 2HB ALA 17 HB2 ALA 17 2.647 -5.427 -18.880 120 3HB ALA 17 HB3 ALA 17 2.394 -3.788 -18.281 121 H GLU 18 HN GLU 18 0.785 -3.200 -16.600 122 HA GLU 18 HA GLU 18 2.419 -2.084 -14.412 123 1HB GLU 18 HB2 GLU 18 0.990 -0.713 -16.680 124 2HB GLU 18 HB1 GLU 18 1.525 0.157 -15.250 125 1HG GLU 18 HG2 GLU 18 3.833 -0.557 -15.706 126 2HG GLU 18 HG1 GLU 18 3.275 -1.362 -17.171 127 H ASP 19 HN ASP 19 0.847 -3.515 -13.153 128 HA ASP 19 HA ASP 19 -1.766 -2.239 -12.815 129 1HB ASP 19 HB2 ASP 19 -2.598 -4.248 -12.197 130 2HB ASP 19 HB1 ASP 19 -1.241 -4.816 -13.141 131 H ARG 20 HN ARG 20 -2.499 -2.923 -10.298 132 HA ARG 20 HA ARG 20 -0.505 -1.772 -8.486 133 1HB ARG 20 HB2 ARG 20 -2.326 -0.136 -9.500 134 2HB ARG 20 HB1 ARG 20 -3.315 -0.841 -8.236 135 1HG ARG 20 HG2 ARG 20 -2.484 0.682 -6.886 136 2HG ARG 20 HG1 ARG 20 -0.964 -0.200 -6.941 137 1HD ARG 20 HD2 ARG 20 -0.199 1.177 -8.769 138 2HD ARG 20 HD1 ARG 20 -1.753 1.990 -8.852 139 HE ARG 20 HE ARG 20 -0.490 2.220 -6.288 140 1HH1 ARG 20 1HH1 ARG 20 -0.687 3.569 -9.499 141 2HH1 ARG 20 2HH1 ARG 20 -0.169 5.146 -9.005 142 1HH2 ARG 20 1HH2 ARG 20 0.186 4.293 -5.633 143 2HH2 ARG 20 2HH2 ARG 20 0.331 5.556 -6.809 144 H VAL 21 HN VAL 21 -0.277 -3.209 -6.882 145 HA VAL 21 HA VAL 21 -2.523 -4.911 -6.104 146 HB VAL 21 HB VAL 21 -0.873 -6.192 -4.817 147 1HG1 VAL 21 1HG1 VAL 21 0.242 -5.750 -7.569 148 2HG1 VAL 21 2HG1 VAL 21 -1.308 -6.544 -7.300 149 3HG1 VAL 21 3HG1 VAL 21 0.170 -7.247 -6.637 150 1HG2 VAL 21 1HG2 VAL 21 0.946 -5.133 -4.107 151 2HG2 VAL 21 2HG2 VAL 21 0.728 -3.826 -5.269 152 3HG2 VAL 21 3HG2 VAL 21 1.583 -5.295 -5.744 153 H THR 22 HN THR 22 -2.810 -5.359 -3.730 154 HA THR 22 HA THR 22 -2.350 -2.917 -2.136 155 HB THR 22 HB THR 22 -4.650 -4.879 -1.938 156 HG1 THR 22 HG1 THR 22 -4.655 -3.220 -3.645 157 1HG2 THR 22 1HG2 THR 22 -5.262 -2.604 -0.473 158 2HG2 THR 22 2HG2 THR 22 -3.608 -3.011 -0.002 159 3HG2 THR 22 3HG2 THR 22 -4.896 -4.210 0.157 160 H ILE 23 HN ILE 23 -0.778 -3.299 -0.696 161 HA ILE 23 HA ILE 23 -0.708 -5.961 0.572 162 HB ILE 23 HB ILE 23 1.782 -5.722 0.618 163 1HG1 ILE 23 2HG1 ILE 23 1.574 -3.763 -1.617 164 2HG1 ILE 23 1HG1 ILE 23 1.436 -3.159 0.028 165 1HG2 ILE 23 1HG2 ILE 23 0.132 -6.698 -1.348 166 2HG2 ILE 23 2HG2 ILE 23 1.866 -6.997 -1.218 167 3HG2 ILE 23 3HG2 ILE 23 1.268 -5.695 -2.245 168 1HD1 ILE 23 1HD1 ILE 23 3.609 -3.696 0.548 169 2HD1 ILE 23 2HD1 ILE 23 3.739 -3.209 -1.142 170 3HD1 ILE 23 3HD1 ILE 23 3.714 -4.917 -0.716 171 H ASP 24 HN ASP 24 0.130 -6.102 2.653 172 HA ASP 24 HA ASP 24 0.358 -3.575 4.172 173 1HB ASP 24 HB2 ASP 24 -0.500 -4.933 6.140 174 2HB ASP 24 HB1 ASP 24 -1.691 -4.622 4.887 175 H PHE 25 HN PHE 25 2.374 -3.371 5.113 176 HA PHE 25 HA PHE 25 3.820 -5.837 5.782 177 1HB PHE 25 HB2 PHE 25 5.811 -5.179 4.634 178 2HB PHE 25 HB1 PHE 25 4.475 -5.082 3.489 179 HD1 PHE 25 HD1 PHE 25 4.004 -3.089 2.362 180 HD2 PHE 25 HD2 PHE 25 6.639 -3.045 5.706 181 HE1 PHE 25 HE1 PHE 25 4.558 -0.741 1.905 182 HE2 PHE 25 HE2 PHE 25 7.187 -0.678 5.243 183 HZ PHE 25 HZ PHE 25 6.136 0.462 3.331 184 H THR 26 HN THR 26 5.888 -5.408 6.916 185 HA THR 26 HA THR 26 6.032 -2.922 8.417 186 HB THR 26 HB THR 26 5.672 -5.590 9.797 187 HG1 THR 26 HG1 THR 26 3.758 -4.610 10.579 188 1HG2 THR 26 1HG2 THR 26 7.214 -3.924 10.920 189 2HG2 THR 26 2HG2 THR 26 5.843 -4.508 11.863 190 3HG2 THR 26 3HG2 THR 26 5.788 -2.908 11.126 191 H GLY 27 HN GLY 27 8.125 -2.359 8.302 192 1HA GLY 27 HA2 GLY 27 10.174 -4.255 9.051 193 2HA GLY 27 HA1 GLY 27 10.218 -3.796 7.362 194 H SER 28 HN SER 28 12.370 -3.334 8.931 195 HA SER 28 HA SER 28 12.283 -0.439 9.507 196 1HB SER 28 HB2 SER 28 14.639 -2.006 10.384 197 2HB SER 28 HB1 SER 28 13.716 -0.781 11.242 198 HG SER 28 HG SER 28 12.033 -2.495 11.371 199 H VAL 29 HN VAL 29 14.501 0.600 9.228 200 HA VAL 29 HA VAL 29 15.583 -0.172 6.615 201 HB VAL 29 HB VAL 29 14.598 1.934 6.296 202 1HG1 VAL 29 1HG1 VAL 29 14.865 2.325 9.003 203 2HG1 VAL 29 2HG1 VAL 29 14.253 3.496 7.842 204 3HG1 VAL 29 3HG1 VAL 29 15.950 3.529 8.317 205 1HG2 VAL 29 1HG2 VAL 29 16.356 2.699 5.190 206 2HG2 VAL 29 2HG2 VAL 29 17.410 1.679 6.166 207 3HG2 VAL 29 3HG2 VAL 29 17.052 3.324 6.684 208 H ASP 30 HN ASP 30 16.799 1.874 9.284 209 HA ASP 30 HA ASP 30 19.394 0.578 8.959 210 1HB ASP 30 HB2 ASP 30 18.738 3.214 9.292 211 2HB ASP 30 HB1 ASP 30 19.158 2.745 10.936 212 H GLY 31 HN GLY 31 17.224 -0.872 10.178 213 1HA GLY 31 HA2 GLY 31 17.420 -2.503 11.888 214 2HA GLY 31 HA1 GLY 31 18.500 -1.422 12.759 215 H GLU 32 HN GLU 32 16.218 0.627 11.846 216 HA GLU 32 HA GLU 32 14.314 -0.037 13.975 217 1HB GLU 32 HB2 GLU 32 15.575 2.686 13.603 218 2HB GLU 32 HB1 GLU 32 14.361 2.257 14.800 219 1HG GLU 32 HG2 GLU 32 15.978 0.635 15.766 220 2HG GLU 32 HG1 GLU 32 17.192 1.255 14.647 221 H GLU 33 HN GLU 33 12.373 -0.092 13.111 222 HA GLU 33 HA GLU 33 11.696 0.719 10.564 223 1HB GLU 33 HB2 GLU 33 9.334 0.425 11.339 224 2HB GLU 33 HB1 GLU 33 10.382 -0.941 11.681 225 1HG GLU 33 HG2 GLU 33 10.179 1.074 13.810 226 2HG GLU 33 HG1 GLU 33 8.709 0.164 13.467 227 H PHE 34 HN PHE 34 11.461 2.659 9.722 228 HA PHE 34 HA PHE 34 11.239 4.980 11.389 229 1HB PHE 34 HB2 PHE 34 11.697 6.221 9.421 230 2HB PHE 34 HB1 PHE 34 12.734 4.804 9.397 231 HD1 PHE 34 HD1 PHE 34 10.229 3.000 8.508 232 HD2 PHE 34 HD2 PHE 34 12.075 6.548 7.046 233 HE1 PHE 34 HE1 PHE 34 9.429 2.482 6.249 234 HE2 PHE 34 HE2 PHE 34 11.271 6.032 4.781 235 HZ PHE 34 HZ PHE 34 9.947 3.998 4.381 236 H GLU 35 HN GLU 35 9.772 6.154 8.912 237 HA GLU 35 HA GLU 35 7.223 6.337 10.172 238 1HB GLU 35 HB2 GLU 35 8.484 7.436 7.710 239 2HB GLU 35 HB1 GLU 35 6.726 7.393 7.768 240 1HG GLU 35 HG2 GLU 35 6.773 8.676 9.855 241 2HG GLU 35 HG1 GLU 35 8.533 8.741 9.764 242 H GLY 36 HN GLY 36 8.279 4.989 7.045 243 1HA GLY 36 HA2 GLY 36 5.755 3.646 6.640 244 2HA GLY 36 HA1 GLY 36 7.166 3.550 5.599 245 H GLY 37 HN GLY 37 7.956 2.931 8.830 246 1HA GLY 37 HA2 GLY 37 8.812 0.338 8.355 247 2HA GLY 37 HA1 GLY 37 8.525 1.024 9.943 248 H LYS 38 HN LYS 38 5.619 1.380 8.655 249 HA LYS 38 HA LYS 38 4.714 -1.360 8.766 250 1HB LYS 38 HB2 LYS 38 3.061 -0.919 10.546 251 2HB LYS 38 HB1 LYS 38 4.717 -0.798 11.124 252 1HG LYS 38 HG2 LYS 38 4.253 1.773 10.465 253 2HG LYS 38 HG1 LYS 38 2.626 1.258 10.917 254 1HD LYS 38 HD2 LYS 38 3.804 2.155 12.847 255 2HD LYS 38 HD1 LYS 38 3.496 0.430 13.058 256 1HE LYS 38 HE2 LYS 38 5.974 0.575 11.786 257 2HE LYS 38 HE1 LYS 38 6.005 1.861 12.993 258 1HZ LYS 38 HZ1 LYS 38 5.149 0.074 14.578 259 2HZ LYS 38 HZ2 LYS 38 6.774 -0.006 14.115 260 3HZ LYS 38 HZ3 LYS 38 5.641 -1.041 13.405 261 H ALA 39 HN ALA 39 3.297 -1.599 7.219 262 HA ALA 39 HA ALA 39 1.436 0.585 6.597 263 1HB ALA 39 HB1 ALA 39 2.660 0.926 4.730 264 2HB ALA 39 HB2 ALA 39 1.784 -0.488 4.142 265 3HB ALA 39 HB3 ALA 39 3.412 -0.667 4.801 266 H SER 40 HN SER 40 -0.599 -0.059 5.941 267 HA SER 40 HA SER 40 -1.141 -2.938 6.226 268 1HB SER 40 HB2 SER 40 -3.023 -0.630 6.758 269 2HB SER 40 HB1 SER 40 -3.374 -2.338 7.009 270 HG SER 40 HG SER 40 -2.526 -0.842 8.826 271 H ASP 41 HN ASP 41 -2.534 -0.041 4.650 272 HA ASP 41 HA ASP 41 -3.370 -1.730 2.434 273 1HB ASP 41 HB2 ASP 41 -4.325 0.985 3.375 274 2HB ASP 41 HB1 ASP 41 -4.784 0.284 1.825 275 H PHE 42 HN PHE 42 -0.991 -1.673 1.901 276 HA PHE 42 HA PHE 42 -0.101 0.899 0.854 277 1HB PHE 42 HB2 PHE 42 1.475 -0.551 2.182 278 2HB PHE 42 HB1 PHE 42 1.431 -1.709 0.863 279 HD1 PHE 42 HD1 PHE 42 3.704 -1.638 0.166 280 HD2 PHE 42 HD2 PHE 42 1.474 1.971 0.537 281 HE1 PHE 42 HE1 PHE 42 5.507 -0.412 -0.961 282 HE2 PHE 42 HE2 PHE 42 3.281 3.203 -0.585 283 HZ PHE 42 HZ PHE 42 5.301 2.013 -1.337 284 H VAL 43 HN VAL 43 -0.911 1.392 -1.068 285 HA VAL 43 HA VAL 43 -1.595 -0.656 -2.975 286 HB VAL 43 HB VAL 43 -1.683 2.338 -3.317 287 1HG1 VAL 43 1HG1 VAL 43 -3.748 0.983 -4.699 288 2HG1 VAL 43 2HG1 VAL 43 -2.233 0.151 -5.056 289 3HG1 VAL 43 3HG1 VAL 43 -2.388 1.880 -5.371 290 1HG2 VAL 43 1HG2 VAL 43 -4.012 2.237 -2.628 291 2HG2 VAL 43 2HG2 VAL 43 -2.961 1.658 -1.336 292 3HG2 VAL 43 3HG2 VAL 43 -3.863 0.506 -2.321 293 H LEU 44 HN LEU 44 0.206 -1.577 -3.792 294 HA LEU 44 HA LEU 44 2.423 0.056 -4.709 295 1HB LEU 44 HB2 LEU 44 2.127 -2.569 -3.747 296 2HB LEU 44 HB1 LEU 44 2.632 -2.724 -5.420 297 HG LEU 44 HG LEU 44 4.085 -1.293 -3.203 298 1HD1 LEU 44 1HD1 LEU 44 4.265 -3.755 -3.300 299 2HD1 LEU 44 2HD1 LEU 44 5.788 -2.924 -3.583 300 3HD1 LEU 44 3HD1 LEU 44 4.902 -3.610 -4.939 301 1HD2 LEU 44 1HD2 LEU 44 4.911 0.061 -4.770 302 2HD2 LEU 44 2HD2 LEU 44 4.177 -0.870 -6.075 303 3HD2 LEU 44 3HD2 LEU 44 5.740 -1.354 -5.416 304 H ALA 45 HN ALA 45 2.893 0.525 -6.753 305 HA ALA 45 HA ALA 45 1.011 -0.353 -8.828 306 1HB ALA 45 HB1 ALA 45 3.070 1.804 -9.169 307 2HB ALA 45 HB2 ALA 45 1.537 2.119 -8.361 308 3HB ALA 45 HB3 ALA 45 1.553 1.572 -10.038 309 H MET 46 HN MET 46 1.734 -2.237 -9.706 310 HA MET 46 HA MET 46 4.499 -2.880 -9.920 311 1HB MET 46 HB2 MET 46 1.958 -4.179 -10.513 312 2HB MET 46 HB1 MET 46 3.222 -4.589 -11.661 313 1HG MET 46 HG2 MET 46 3.514 -4.811 -8.676 314 2HG MET 46 HG1 MET 46 3.031 -6.139 -9.727 315 1HE MET 46 HE1 MET 46 6.181 -6.812 -11.856 316 2HE MET 46 HE2 MET 46 4.719 -5.916 -12.270 317 3HE MET 46 HE3 MET 46 4.602 -7.415 -11.347 318 H GLY 47 HN GLY 47 5.421 -1.202 -11.041 319 1HA GLY 47 HA2 GLY 47 6.519 -0.851 -13.164 320 2HA GLY 47 HA1 GLY 47 5.036 -1.348 -13.963 321 H GLN 48 HN GLN 48 5.862 1.077 -11.495 322 HA GLN 48 HA GLN 48 4.717 3.149 -13.241 323 1HB GLN 48 HB2 GLN 48 3.084 2.538 -11.476 324 2HB GLN 48 HB1 GLN 48 4.284 2.930 -10.253 325 1HG GLN 48 HG2 GLN 48 3.963 5.141 -12.047 326 2HG GLN 48 HG1 GLN 48 2.394 4.631 -11.422 327 1HE2 GLN 48 1HE2 GLN 48 1.805 5.434 -9.542 328 2HE2 GLN 48 2HE2 GLN 48 2.855 6.121 -8.354 329 H GLY 49 HN GLY 49 6.202 3.045 -10.010 330 1HA GLY 49 HA2 GLY 49 8.112 5.098 -10.894 331 2HA GLY 49 HA1 GLY 49 7.713 4.717 -9.223 332 H ARG 50 HN ARG 50 9.085 3.177 -12.117 333 HA ARG 50 HA ARG 50 10.567 1.441 -12.320 334 1HB ARG 50 HB2 ARG 50 12.783 2.046 -11.646 335 2HB ARG 50 HB1 ARG 50 11.941 3.503 -12.151 336 1HG ARG 50 HG2 ARG 50 12.369 4.468 -10.206 337 2HG ARG 50 HG1 ARG 50 11.592 3.148 -9.337 338 1HD ARG 50 HD2 ARG 50 14.027 3.612 -8.782 339 2HD ARG 50 HD1 ARG 50 13.592 1.944 -9.149 340 HE ARG 50 HE ARG 50 14.709 3.662 -11.251 341 1HH1 ARG 50 1HH1 ARG 50 14.983 0.844 -9.195 342 2HH1 ARG 50 2HH1 ARG 50 16.298 0.171 -10.094 343 1HH2 ARG 50 1HH2 ARG 50 16.437 2.771 -12.422 344 2HH2 ARG 50 2HH2 ARG 50 17.126 1.262 -11.922 345 H MET 51 HN MET 51 8.993 0.104 -11.009 346 HA MET 51 HA MET 51 9.198 -0.511 -8.350 347 1HB MET 51 HB2 MET 51 7.673 -1.491 -10.230 348 2HB MET 51 HB1 MET 51 8.913 -2.731 -10.346 349 1HG MET 51 HG2 MET 51 7.697 -3.784 -8.800 350 2HG MET 51 HG1 MET 51 8.484 -2.681 -7.673 351 1HE MET 51 HE1 MET 51 5.786 0.152 -7.347 352 2HE MET 51 HE2 MET 51 7.307 0.030 -8.229 353 3HE MET 51 HE3 MET 51 7.211 -0.524 -6.558 354 H ILE 52 HN ILE 52 10.903 -0.978 -7.160 355 HA ILE 52 HA ILE 52 13.361 -1.922 -8.231 356 HB ILE 52 HB ILE 52 13.783 -2.387 -5.648 357 1HG1 ILE 52 2HG1 ILE 52 11.587 -0.309 -5.559 358 2HG1 ILE 52 1HG1 ILE 52 11.368 -1.990 -5.083 359 1HG2 ILE 52 1HG2 ILE 52 14.989 -0.767 -6.957 360 2HG2 ILE 52 2HG2 ILE 52 14.491 -0.027 -5.434 361 3HG2 ILE 52 3HG2 ILE 52 13.615 0.340 -6.920 362 1HD1 ILE 52 1HD1 ILE 52 11.812 -0.248 -3.264 363 2HD1 ILE 52 2HD1 ILE 52 13.482 -0.287 -3.828 364 3HD1 ILE 52 3HD1 ILE 52 12.725 -1.756 -3.211 365 HA PRO 53 HA PRO 53 13.034 -6.305 -8.146 366 1HB PRO 53 HB2 PRO 53 15.270 -7.039 -6.693 367 2HB PRO 53 HB1 PRO 53 15.275 -6.638 -8.413 368 1HG PRO 53 HG2 PRO 53 15.999 -4.937 -6.066 369 2HG PRO 53 HG1 PRO 53 16.771 -5.039 -7.659 370 1HD PRO 53 HD2 PRO 53 15.144 -3.004 -7.017 371 2HD PRO 53 HD1 PRO 53 15.173 -3.684 -8.658 372 H GLY 54 HN GLY 54 13.318 -4.528 -5.191 373 1HA GLY 54 HA2 GLY 54 12.897 -6.649 -3.362 374 2HA GLY 54 HA1 GLY 54 12.628 -4.941 -3.048 375 H PHE 55 HN PHE 55 10.606 -4.101 -4.367 376 HA PHE 55 HA PHE 55 8.397 -5.534 -3.294 377 1HB PHE 55 HB2 PHE 55 8.617 -3.088 -5.041 378 2HB PHE 55 HB1 PHE 55 7.063 -3.779 -4.614 379 HD1 PHE 55 HD1 PHE 55 6.670 -4.105 -2.017 380 HD2 PHE 55 HD2 PHE 55 9.505 -1.434 -3.728 381 HE1 PHE 55 HE1 PHE 55 6.664 -2.797 0.039 382 HE2 PHE 55 HE2 PHE 55 9.497 -0.109 -1.658 383 HZ PHE 55 HZ PHE 55 8.074 -0.790 0.227 384 H GLU 56 HN GLU 56 9.628 -4.939 -6.548 385 HA GLU 56 HA GLU 56 7.624 -6.125 -8.041 386 1HB GLU 56 HB2 GLU 56 9.614 -4.856 -8.910 387 2HB GLU 56 HB1 GLU 56 10.576 -6.306 -8.650 388 1HG GLU 56 HG2 GLU 56 9.637 -7.416 -10.398 389 2HG GLU 56 HG1 GLU 56 8.105 -6.553 -10.270 390 H ASP 57 HN ASP 57 9.957 -7.603 -5.964 391 HA ASP 57 HA ASP 57 9.747 -10.215 -7.154 392 1HB ASP 57 HB2 ASP 57 11.788 -9.430 -5.954 393 2HB ASP 57 HB1 ASP 57 10.879 -9.475 -4.450 394 H GLY 58 HN GLY 58 9.107 -9.345 -3.740 395 1HA GLY 58 HA2 GLY 58 7.326 -11.487 -3.354 396 2HA GLY 58 HA1 GLY 58 7.482 -10.087 -2.301 397 H ILE 59 HN ILE 59 6.598 -8.027 -3.625 398 HA ILE 59 HA ILE 59 3.787 -8.473 -3.883 399 HB ILE 59 HB ILE 59 5.350 -5.935 -4.421 400 1HG1 ILE 59 2HG1 ILE 59 4.668 -5.517 -1.947 401 2HG1 ILE 59 1HG1 ILE 59 4.604 -7.260 -1.836 402 1HG2 ILE 59 1HG2 ILE 59 2.580 -6.606 -4.425 403 2HG2 ILE 59 2HG2 ILE 59 3.344 -5.052 -4.749 404 3HG2 ILE 59 3HG2 ILE 59 2.896 -5.486 -3.103 405 1HD1 ILE 59 1HD1 ILE 59 6.802 -5.671 -1.443 406 2HD1 ILE 59 2HD1 ILE 59 7.029 -6.286 -3.069 407 3HD1 ILE 59 3HD1 ILE 59 6.818 -7.405 -1.730 408 H LYS 60 HN LYS 60 5.204 -9.831 -5.686 409 HA LYS 60 HA LYS 60 5.463 -8.814 -8.296 410 1HB LYS 60 HB2 LYS 60 4.914 -11.478 -7.129 411 2HB LYS 60 HB1 LYS 60 4.309 -11.265 -8.765 412 1HG LYS 60 HG2 LYS 60 7.093 -10.427 -8.239 413 2HG LYS 60 HG1 LYS 60 6.752 -12.157 -8.241 414 1HD LYS 60 HD2 LYS 60 6.333 -12.203 -10.463 415 2HD LYS 60 HD1 LYS 60 5.583 -10.605 -10.460 416 1HE LYS 60 HE2 LYS 60 7.778 -9.560 -10.338 417 2HE LYS 60 HE1 LYS 60 8.545 -11.145 -10.283 418 1HZ LYS 60 HZ1 LYS 60 8.612 -11.071 -12.485 419 2HZ LYS 60 HZ2 LYS 60 7.688 -9.656 -12.537 420 3HZ LYS 60 HZ3 LYS 60 6.923 -11.164 -12.517 421 H GLY 61 HN GLY 61 2.738 -10.338 -6.723 422 1HA GLY 61 HA2 GLY 61 0.536 -9.275 -6.639 423 2HA GLY 61 HA1 GLY 61 0.846 -8.694 -8.275 424 H HIS 62 HN HIS 62 1.381 -11.784 -6.720 425 HA HIS 62 HA HIS 62 -0.374 -13.034 -8.751 426 1HB HIS 62 HB2 HIS 62 1.144 -14.970 -8.789 427 2HB HIS 62 HB1 HIS 62 1.953 -13.491 -9.288 428 HD2 HIS 62 HD2 HIS 62 3.072 -12.342 -6.516 429 HE1 HIS 62 HE1 HIS 62 4.629 -16.234 -5.870 430 HE2 HIS 62 HE2 HIS 62 4.630 -13.837 -5.096 431 H LYS 63 HN LYS 63 0.414 -12.799 -5.416 432 HA LYS 63 HA LYS 63 -1.422 -15.028 -4.842 433 1HB LYS 63 HB2 LYS 63 0.680 -13.974 -2.960 434 2HB LYS 63 HB1 LYS 63 -0.241 -15.465 -2.824 435 1HG LYS 63 HG2 LYS 63 1.256 -15.361 -5.298 436 2HG LYS 63 HG1 LYS 63 2.300 -15.163 -3.889 437 1HD LYS 63 HD2 LYS 63 2.244 -17.375 -3.642 438 2HD LYS 63 HD1 LYS 63 0.541 -17.220 -3.205 439 1HE LYS 63 HE2 LYS 63 0.136 -18.530 -4.967 440 2HE LYS 63 HE1 LYS 63 0.479 -17.105 -5.947 441 1HZ LYS 63 HZ1 LYS 63 2.680 -18.860 -5.089 442 2HZ LYS 63 HZ2 LYS 63 2.590 -17.841 -6.435 443 3HZ LYS 63 HZ3 LYS 63 1.728 -19.296 -6.417 444 H ALA 64 HN ALA 64 -3.249 -13.623 -4.955 445 HA ALA 64 HA ALA 64 -3.560 -11.263 -3.467 446 1HB ALA 64 HB1 ALA 64 -5.252 -11.376 -4.960 447 2HB ALA 64 HB2 ALA 64 -6.096 -12.154 -3.621 448 3HB ALA 64 HB3 ALA 64 -5.348 -13.136 -4.879 449 H GLY 65 HN GLY 65 -2.934 -11.402 -1.329 450 1HA GLY 65 HA2 GLY 65 -3.812 -11.620 0.892 451 2HA GLY 65 HA1 GLY 65 -4.662 -13.067 0.379 452 H GLU 66 HN GLU 66 -1.297 -12.337 -0.300 453 HA GLU 66 HA GLU 66 -0.529 -14.767 1.144 454 1HB GLU 66 HB2 GLU 66 0.137 -14.638 -1.180 455 2HB GLU 66 HB1 GLU 66 0.948 -13.107 -0.903 456 1HG GLU 66 HG2 GLU 66 2.561 -14.217 0.541 457 2HG GLU 66 HG1 GLU 66 1.730 -15.752 0.306 458 H GLU 67 HN GLU 67 1.613 -14.731 2.241 459 HA GLU 67 HA GLU 67 2.228 -12.142 3.482 460 1HB GLU 67 HB2 GLU 67 2.567 -13.313 5.655 461 2HB GLU 67 HB1 GLU 67 0.895 -13.321 5.115 462 1HG GLU 67 HG2 GLU 67 1.115 -15.610 4.364 463 2HG GLU 67 HG1 GLU 67 2.820 -15.614 4.807 464 H PHE 68 HN PHE 68 4.207 -11.696 2.718 465 HA PHE 68 HA PHE 68 6.293 -13.749 3.022 466 1HB PHE 68 HB2 PHE 68 7.203 -13.061 0.783 467 2HB PHE 68 HB1 PHE 68 5.664 -13.920 0.713 468 HD1 PHE 68 HD1 PHE 68 3.702 -12.873 -0.077 469 HD2 PHE 68 HD2 PHE 68 7.272 -10.630 0.448 470 HE1 PHE 68 HE1 PHE 68 2.696 -11.005 -1.297 471 HE2 PHE 68 HE2 PHE 68 6.271 -8.747 -0.782 472 HZ PHE 68 HZ PHE 68 3.973 -8.937 -1.660 473 H THR 69 HN THR 69 8.514 -12.790 2.709 474 HA THR 69 HA THR 69 8.577 -9.990 3.592 475 HB THR 69 HB THR 69 10.447 -12.151 4.568 476 HG1 THR 69 HG1 THR 69 8.695 -12.663 5.657 477 1HG2 THR 69 1HG2 THR 69 11.350 -9.860 4.665 478 2HG2 THR 69 2HG2 THR 69 11.122 -10.588 6.257 479 3HG2 THR 69 3HG2 THR 69 9.974 -9.390 5.660 480 H ILE 70 HN ILE 70 9.790 -8.692 2.337 481 HA ILE 70 HA ILE 70 11.977 -9.951 0.817 482 HB ILE 70 HB ILE 70 11.451 -8.739 -1.184 483 1HG1 ILE 70 2HG1 ILE 70 10.506 -6.712 -0.115 484 2HG1 ILE 70 1HG1 ILE 70 9.490 -7.318 -1.419 485 1HG2 ILE 70 1HG2 ILE 70 8.738 -9.683 -0.815 486 2HG2 ILE 70 2HG2 ILE 70 9.929 -10.817 -0.178 487 3HG2 ILE 70 3HG2 ILE 70 10.019 -10.296 -1.860 488 1HD1 ILE 70 1HD1 ILE 70 8.360 -8.579 0.654 489 2HD1 ILE 70 2HD1 ILE 70 7.869 -6.981 0.094 490 3HD1 ILE 70 3HD1 ILE 70 8.965 -7.136 1.467 491 H ASP 71 HN ASP 71 13.456 -8.271 -0.133 492 HA ASP 71 HA ASP 71 13.972 -6.272 1.931 493 1HB ASP 71 HB2 ASP 71 16.197 -6.075 0.877 494 2HB ASP 71 HB1 ASP 71 15.841 -7.741 1.325 495 H VAL 72 HN VAL 72 14.360 -4.060 1.354 496 HA VAL 72 HA VAL 72 13.650 -3.279 -1.362 497 HB VAL 72 HB VAL 72 12.150 -1.438 -0.320 498 1HG1 VAL 72 1HG1 VAL 72 11.412 -3.223 -1.851 499 2HG1 VAL 72 2HG1 VAL 72 10.184 -2.798 -0.656 500 3HG1 VAL 72 3HG1 VAL 72 11.134 -4.272 -0.462 501 1HG2 VAL 72 1HG2 VAL 72 12.517 -1.808 1.992 502 2HG2 VAL 72 2HG2 VAL 72 12.142 -3.525 1.847 503 3HG2 VAL 72 3HG2 VAL 72 10.870 -2.325 1.647 504 H THR 73 HN THR 73 14.824 -1.563 -2.051 505 HA THR 73 HA THR 73 15.822 0.386 -0.185 506 HB THR 73 HB THR 73 17.640 -1.477 -1.721 507 HG1 THR 73 HG1 THR 73 17.386 -2.284 0.258 508 1HG2 THR 73 1HG2 THR 73 19.357 0.125 -0.392 509 2HG2 THR 73 2HG2 THR 73 18.131 1.292 -0.887 510 3HG2 THR 73 3HG2 THR 73 18.947 0.303 -2.098 511 H PHE 74 HN PHE 74 15.560 2.301 -1.167 512 HA PHE 74 HA PHE 74 15.025 2.355 -3.999 513 1HB PHE 74 HB2 PHE 74 14.887 4.432 -1.830 514 2HB PHE 74 HB1 PHE 74 14.565 4.797 -3.523 515 HD1 PHE 74 HD1 PHE 74 13.605 2.062 -1.152 516 HD2 PHE 74 HD2 PHE 74 12.354 4.947 -4.002 517 HE1 PHE 74 HE1 PHE 74 11.282 1.278 -0.920 518 HE2 PHE 74 HE2 PHE 74 10.027 4.188 -3.776 519 HZ PHE 74 HZ PHE 74 9.486 2.348 -2.231 520 HA PRO 75 HA PRO 75 19.190 3.378 -5.161 521 1HB PRO 75 HB2 PRO 75 18.628 4.394 -7.643 522 2HB PRO 75 HB1 PRO 75 18.733 2.668 -7.284 523 1HG PRO 75 HG2 PRO 75 16.315 4.411 -7.520 524 2HG PRO 75 HG1 PRO 75 16.570 2.762 -8.120 525 1HD PRO 75 HD2 PRO 75 15.164 3.257 -5.881 526 2HD PRO 75 HD1 PRO 75 16.183 1.811 -6.047 527 H GLU 76 HN GLU 76 20.318 5.309 -6.254 528 HA GLU 76 HA GLU 76 19.685 7.639 -4.713 529 1HB GLU 76 HB2 GLU 76 22.013 6.813 -5.270 530 2HB GLU 76 HB1 GLU 76 21.751 7.417 -6.899 531 1HG GLU 76 HG2 GLU 76 21.104 9.602 -5.447 532 2HG GLU 76 HG1 GLU 76 22.327 8.863 -4.413 533 H GLU 77 HN GLU 77 18.521 6.493 -7.615 534 HA GLU 77 HA GLU 77 18.206 9.113 -8.849 535 1HB GLU 77 HB2 GLU 77 17.181 7.862 -10.716 536 2HB GLU 77 HB1 GLU 77 18.795 7.285 -10.323 537 1HG GLU 77 HG2 GLU 77 18.061 5.238 -9.879 538 2HG GLU 77 HG1 GLU 77 16.746 5.842 -8.870 539 H TYR 78 HN TYR 78 16.330 6.679 -7.163 540 HA TYR 78 HA TYR 78 13.754 7.658 -7.772 541 1HB TYR 78 HB2 TYR 78 14.474 5.429 -6.648 542 2HB TYR 78 HB1 TYR 78 14.440 6.350 -5.151 543 HD1 TYR 78 HD1 TYR 78 12.546 4.436 -7.436 544 HD2 TYR 78 HD2 TYR 78 12.220 7.600 -4.607 545 HE1 TYR 78 HE1 TYR 78 10.127 4.033 -7.264 546 HE2 TYR 78 HE2 TYR 78 9.801 7.198 -4.433 547 HH TYR 78 HH TYR 78 8.117 5.794 -4.953 548 H HIS 79 HN HIS 79 15.419 7.890 -4.655 549 HA HIS 79 HA HIS 79 15.071 9.334 -2.923 550 1HB HIS 79 HB2 HIS 79 16.122 10.920 -5.229 551 2HB HIS 79 HB1 HIS 79 15.891 11.669 -3.649 552 HD2 HIS 79 HD2 HIS 79 17.104 8.053 -3.380 553 HE1 HIS 79 HE1 HIS 79 20.512 10.545 -2.933 554 HE2 HIS 79 HE2 HIS 79 19.593 8.211 -2.686 555 H ALA 80 HN ALA 80 12.676 9.042 -2.871 556 HA ALA 80 HA ALA 80 11.106 11.224 -3.970 557 1HB ALA 80 HB1 ALA 80 10.275 8.871 -3.939 558 2HB ALA 80 HB2 ALA 80 9.181 10.042 -3.206 559 3HB ALA 80 HB3 ALA 80 10.162 8.997 -2.186 560 H GLU 81 HN GLU 81 9.855 12.641 -2.703 561 HA GLU 81 HA GLU 81 11.137 13.944 -0.666 562 1HB GLU 81 HB2 GLU 81 9.058 14.577 -2.107 563 2HB GLU 81 HB1 GLU 81 8.148 13.931 -0.747 564 1HG GLU 81 HG2 GLU 81 8.621 15.681 0.572 565 2HG GLU 81 HG1 GLU 81 10.270 15.827 -0.032 566 H ASN 82 HN ASN 82 9.001 11.158 -0.326 567 HA ASN 82 HA ASN 82 8.914 11.563 2.557 568 1HB ASN 82 HB2 ASN 82 7.354 9.602 2.535 569 2HB ASN 82 HB1 ASN 82 6.813 11.003 1.616 570 1HD2 ASN 82 1HD2 ASN 82 8.528 7.935 1.245 571 2HD2 ASN 82 2HD2 ASN 82 7.909 7.582 -0.328 572 H LEU 83 HN LEU 83 10.289 9.178 0.295 573 HA LEU 83 HA LEU 83 11.752 8.096 2.604 574 1HB LEU 83 HB2 LEU 83 11.298 5.881 2.109 575 2HB LEU 83 HB1 LEU 83 9.762 6.688 1.919 576 HG LEU 83 HG LEU 83 9.683 5.374 0.076 577 1HD1 LEU 83 1HD1 LEU 83 10.014 7.865 -0.651 578 2HD1 LEU 83 2HD1 LEU 83 9.948 6.575 -1.841 579 3HD1 LEU 83 3HD1 LEU 83 11.504 7.243 -1.350 580 1HD2 LEU 83 1HD2 LEU 83 11.459 4.348 -0.981 581 2HD2 LEU 83 2HD2 LEU 83 11.941 4.413 0.704 582 3HD2 LEU 83 3HD2 LEU 83 12.616 5.557 -0.457 583 H LYS 84 HN LYS 84 12.385 9.803 0.132 584 HA LYS 84 HA LYS 84 13.904 8.814 -1.781 585 1HB LYS 84 HB2 LYS 84 15.544 10.671 -1.455 586 2HB LYS 84 HB1 LYS 84 13.861 11.176 -1.444 587 1HG LYS 84 HG2 LYS 84 13.869 11.582 0.845 588 2HG LYS 84 HG1 LYS 84 15.301 10.587 1.111 589 1HD LYS 84 HD2 LYS 84 15.416 13.073 -0.563 590 2HD LYS 84 HD1 LYS 84 15.570 13.141 1.194 591 1HE LYS 84 HE2 LYS 84 17.614 12.151 1.189 592 2HE LYS 84 HE1 LYS 84 17.246 11.153 -0.218 593 1HZ LYS 84 HZ1 LYS 84 18.358 12.583 -1.465 594 2HZ LYS 84 HZ2 LYS 84 18.681 13.558 -0.121 595 3HZ LYS 84 HZ3 LYS 84 17.287 13.823 -1.041 596 H GLY 85 HN GLY 85 15.457 7.399 -2.092 597 1HA GLY 85 HA2 GLY 85 17.111 5.862 -1.667 598 2HA GLY 85 HA1 GLY 85 17.884 7.198 -0.835 599 H LYS 86 HN LYS 86 15.077 5.098 -0.119 600 HA LYS 86 HA LYS 86 16.121 4.820 2.601 601 1HB LYS 86 HB2 LYS 86 13.618 5.390 1.779 602 2HB LYS 86 HB1 LYS 86 13.500 3.647 1.938 603 1HG LYS 86 HG2 LYS 86 14.715 5.193 4.165 604 2HG LYS 86 HG1 LYS 86 12.966 5.258 3.946 605 1HD LYS 86 HD2 LYS 86 14.644 2.783 4.324 606 2HD LYS 86 HD1 LYS 86 13.534 3.490 5.499 607 1HE LYS 86 HE2 LYS 86 11.919 3.175 3.327 608 2HE LYS 86 HE1 LYS 86 12.997 1.790 3.173 609 1HZ LYS 86 HZ1 LYS 86 12.034 2.193 5.846 610 2HZ LYS 86 HZ2 LYS 86 12.067 0.794 4.907 611 3HZ LYS 86 HZ3 LYS 86 10.797 1.889 4.731 612 H ALA 87 HN ALA 87 17.732 3.250 2.277 613 HA ALA 87 HA ALA 87 17.096 0.706 1.073 614 1HB ALA 87 HB1 ALA 87 19.334 0.060 1.629 615 2HB ALA 87 HB2 ALA 87 19.493 1.396 2.770 616 3HB ALA 87 HB3 ALA 87 19.388 1.722 1.039 617 H ALA 88 HN ALA 88 15.555 -0.439 2.174 618 HA ALA 88 HA ALA 88 16.119 -1.013 5.003 619 1HB ALA 88 HB1 ALA 88 13.301 -0.593 4.186 620 2HB ALA 88 HB2 ALA 88 14.330 0.816 4.447 621 3HB ALA 88 HB3 ALA 88 14.071 -0.340 5.751 622 H LYS 89 HN LYS 89 14.170 -2.516 5.743 623 HA LYS 89 HA LYS 89 13.957 -4.784 3.874 624 1HB LYS 89 HB2 LYS 89 15.000 -4.719 6.657 625 2HB LYS 89 HB1 LYS 89 13.930 -6.056 6.258 626 1HG LYS 89 HG2 LYS 89 15.406 -6.979 4.774 627 2HG LYS 89 HG1 LYS 89 16.189 -5.437 4.426 628 1HD LYS 89 HD2 LYS 89 16.395 -6.733 7.126 629 2HD LYS 89 HD1 LYS 89 17.492 -7.158 5.812 630 1HE LYS 89 HE2 LYS 89 18.747 -5.414 6.379 631 2HE LYS 89 HE1 LYS 89 17.429 -4.361 5.866 632 1HZ LYS 89 HZ1 LYS 89 16.631 -5.075 8.321 633 2HZ LYS 89 HZ2 LYS 89 17.503 -3.668 7.978 634 3HZ LYS 89 HZ3 LYS 89 18.309 -5.048 8.532 635 H PHE 90 HN PHE 90 11.922 -5.787 3.873 636 HA PHE 90 HA PHE 90 9.950 -4.797 5.817 637 1HB PHE 90 HB2 PHE 90 9.524 -4.898 2.827 638 2HB PHE 90 HB1 PHE 90 8.241 -4.676 4.007 639 HD1 PHE 90 HD1 PHE 90 8.234 -2.873 1.996 640 HD2 PHE 90 HD2 PHE 90 10.748 -2.844 5.404 641 HE1 PHE 90 HE1 PHE 90 8.447 -0.412 1.822 642 HE2 PHE 90 HE2 PHE 90 10.972 -0.410 5.246 643 HZ PHE 90 HZ PHE 90 9.824 0.816 3.445 644 H ALA 91 HN ALA 91 8.102 -6.175 6.125 645 HA ALA 91 HA ALA 91 8.281 -8.816 4.871 646 1HB ALA 91 HB1 ALA 91 7.901 -9.893 6.881 647 2HB ALA 91 HB2 ALA 91 7.089 -8.498 7.590 648 3HB ALA 91 HB3 ALA 91 8.848 -8.522 7.458 649 H ILE 92 HN ILE 92 6.743 -8.585 3.397 650 HA ILE 92 HA ILE 92 4.348 -7.041 4.004 651 HB ILE 92 HB ILE 92 5.258 -8.135 1.353 652 1HG1 ILE 92 2HG1 ILE 92 6.058 -5.664 2.845 653 2HG1 ILE 92 1HG1 ILE 92 7.058 -6.803 1.983 654 1HG2 ILE 92 1HG2 ILE 92 3.909 -6.162 0.527 655 2HG2 ILE 92 2HG2 ILE 92 3.241 -6.071 2.155 656 3HG2 ILE 92 3HG2 ILE 92 3.014 -7.529 1.184 657 1HD1 ILE 92 1HD1 ILE 92 5.664 -4.417 1.035 658 2HD1 ILE 92 2HD1 ILE 92 5.558 -5.817 -0.027 659 3HD1 ILE 92 3HD1 ILE 92 7.137 -5.188 0.447 660 H ASN 93 HN ASN 93 2.324 -7.632 3.026 661 HA ASN 93 HA ASN 93 1.801 -10.486 2.725 662 1HB ASN 93 HB2 ASN 93 0.329 -8.596 4.562 663 2HB ASN 93 HB1 ASN 93 -0.347 -10.133 4.034 664 1HD2 ASN 93 1HD2 ASN 93 -0.261 -10.090 6.556 665 2HD2 ASN 93 2HD2 ASN 93 1.103 -10.898 7.238 666 H LEU 94 HN LEU 94 1.242 -10.505 0.608 667 HA LEU 94 HA LEU 94 0.086 -8.358 -0.778 668 1HB LEU 94 HB2 LEU 94 1.358 -10.364 -1.689 669 2HB LEU 94 HB1 LEU 94 -0.162 -11.226 -1.611 670 HG LEU 94 HG LEU 94 -1.153 -9.567 -3.156 671 1HD1 LEU 94 1HD1 LEU 94 0.880 -8.297 -4.388 672 2HD1 LEU 94 2HD1 LEU 94 1.462 -8.284 -2.722 673 3HD1 LEU 94 3HD1 LEU 94 -0.105 -7.573 -3.116 674 1HD2 LEU 94 1HD2 LEU 94 0.171 -11.712 -3.809 675 2HD2 LEU 94 2HD2 LEU 94 1.350 -10.567 -4.441 676 3HD2 LEU 94 3HD2 LEU 94 -0.303 -10.561 -5.057 677 H LYS 95 HN LYS 95 -1.987 -8.142 -1.766 678 HA LYS 95 HA LYS 95 -4.144 -9.760 -0.698 679 1HB LYS 95 HB2 LYS 95 -4.098 -6.763 -0.290 680 2HB LYS 95 HB1 LYS 95 -5.430 -7.832 0.105 681 1HG LYS 95 HG2 LYS 95 -2.711 -8.145 1.338 682 2HG LYS 95 HG1 LYS 95 -3.944 -7.080 2.013 683 1HD LYS 95 HD2 LYS 95 -5.489 -9.060 2.060 684 2HD LYS 95 HD1 LYS 95 -4.107 -10.060 1.623 685 1HE LYS 95 HE2 LYS 95 -3.348 -8.417 3.811 686 2HE LYS 95 HE1 LYS 95 -4.901 -9.157 4.195 687 1HZ LYS 95 HZ1 LYS 95 -3.689 -11.281 3.298 688 2HZ LYS 95 HZ2 LYS 95 -3.482 -10.774 4.898 689 3HZ LYS 95 HZ3 LYS 95 -2.299 -10.423 3.741 690 H LYS 96 HN LYS 96 -5.303 -6.784 -1.751 691 HA LYS 96 HA LYS 96 -6.449 -7.934 -4.067 692 1HB LYS 96 HB2 LYS 96 -6.351 -5.001 -3.385 693 2HB LYS 96 HB1 LYS 96 -7.523 -5.823 -4.406 694 1HG LYS 96 HG2 LYS 96 -7.550 -7.084 -1.869 695 2HG LYS 96 HG1 LYS 96 -7.626 -5.339 -1.615 696 1HD LYS 96 HD2 LYS 96 -9.494 -5.223 -3.230 697 2HD LYS 96 HD1 LYS 96 -9.445 -6.981 -3.377 698 1HE LYS 96 HE2 LYS 96 -11.068 -6.788 -1.790 699 2HE LYS 96 HE1 LYS 96 -9.651 -6.843 -0.743 700 1HZ LYS 96 HZ1 LYS 96 -11.347 -4.548 -1.451 701 2HZ LYS 96 HZ2 LYS 96 -9.730 -4.282 -1.030 702 3HZ LYS 96 HZ3 LYS 96 -10.776 -5.032 0.067 703 H VAL 97 HN VAL 97 -5.171 -8.472 -5.727 704 HA VAL 97 HA VAL 97 -3.343 -6.453 -6.824 705 HB VAL 97 HB VAL 97 -2.093 -8.402 -6.334 706 1HG1 VAL 97 1HG1 VAL 97 -4.568 -9.791 -6.983 707 2HG1 VAL 97 2HG1 VAL 97 -3.252 -10.265 -5.907 708 3HG1 VAL 97 3HG1 VAL 97 -3.138 -10.585 -7.639 709 1HG2 VAL 97 1HG2 VAL 97 -2.377 -9.362 -9.026 710 2HG2 VAL 97 2HG2 VAL 97 -1.069 -8.427 -8.307 711 3HG2 VAL 97 3HG2 VAL 97 -2.460 -7.601 -9.002 712 H GLU 98 HN GLU 98 -4.346 -5.340 -8.415 713 HA GLU 98 HA GLU 98 -5.806 -6.866 -10.459 714 1HB GLU 98 HB2 GLU 98 -6.756 -4.218 -9.364 715 2HB GLU 98 HB1 GLU 98 -7.573 -5.232 -10.544 716 1HG GLU 98 HG2 GLU 98 -8.695 -6.158 -8.887 717 2HG GLU 98 HG1 GLU 98 -7.184 -6.862 -8.314 718 H GLU 99 HN GLU 99 -6.156 -5.530 -12.495 719 HA GLU 99 HA GLU 99 -3.655 -4.188 -13.136 720 1HB GLU 99 HB2 GLU 99 -4.436 -5.979 -14.610 721 2HB GLU 99 HB1 GLU 99 -5.891 -5.053 -14.954 722 1HG GLU 99 HG2 GLU 99 -3.586 -3.437 -15.465 723 2HG GLU 99 HG1 GLU 99 -3.437 -4.977 -16.309 724 H ARG 100 HN ARG 100 -3.769 -2.123 -12.369 725 HA ARG 100 HA ARG 100 -6.034 -0.418 -12.780 726 1HB ARG 100 HB2 ARG 100 -4.548 1.365 -11.951 727 2HB ARG 100 HB1 ARG 100 -4.524 -0.047 -10.904 728 1HG ARG 100 HG2 ARG 100 -2.383 -0.642 -11.527 729 2HG ARG 100 HG1 ARG 100 -2.461 0.255 -13.042 730 1HD ARG 100 HD2 ARG 100 -2.807 2.140 -10.984 731 2HD ARG 100 HD1 ARG 100 -1.491 1.087 -10.479 732 HE ARG 100 HE ARG 100 -0.174 2.021 -12.078 733 1HH1 ARG 100 1HH1 ARG 100 -3.503 2.702 -12.847 734 2HH1 ARG 100 2HH1 ARG 100 -3.112 3.757 -14.159 735 1HH2 ARG 100 1HH2 ARG 100 0.346 3.440 -13.779 736 2HH2 ARG 100 2HH2 ARG 100 -0.927 4.196 -14.677 737 H GLU 101 HN GLU 101 -5.714 1.749 -13.885 738 HA GLU 101 HA GLU 101 -3.875 2.138 -15.949 739 1HB GLU 101 HB2 GLU 101 -5.907 0.246 -16.619 740 2HB GLU 101 HB1 GLU 101 -6.157 1.696 -17.580 741 1HG GLU 101 HG2 GLU 101 -3.371 0.882 -17.492 742 2HG GLU 101 HG1 GLU 101 -4.432 -0.360 -18.158 743 H LEU 102 HN LEU 102 -3.850 4.274 -15.888 744 HA LEU 102 HA LEU 102 -6.133 5.839 -15.212 745 1HB LEU 102 HB2 LEU 102 -3.480 6.777 -16.289 746 2HB LEU 102 HB1 LEU 102 -4.664 7.742 -15.427 747 HG LEU 102 HG LEU 102 -3.617 5.352 -14.036 748 1HD1 LEU 102 1HD1 LEU 102 -1.684 6.621 -15.216 749 2HD1 LEU 102 2HD1 LEU 102 -1.537 6.189 -13.512 750 3HD1 LEU 102 3HD1 LEU 102 -1.969 7.836 -13.970 751 1HD2 LEU 102 1HD2 LEU 102 -5.277 6.744 -12.985 752 2HD2 LEU 102 2HD2 LEU 102 -4.257 8.166 -13.196 753 3HD2 LEU 102 3HD2 LEU 102 -3.748 6.868 -12.115 754 HA PRO 103 HA PRO 103 -5.837 7.355 -19.811 755 1HB PRO 103 HB2 PRO 103 -4.536 5.724 -21.563 756 2HB PRO 103 HB1 PRO 103 -3.753 7.064 -20.718 757 1HG PRO 103 HG2 PRO 103 -3.731 4.144 -20.063 758 2HG PRO 103 HG1 PRO 103 -2.391 5.306 -20.044 759 1HD PRO 103 HD2 PRO 103 -3.652 4.537 -17.793 760 2HD PRO 103 HD1 PRO 103 -3.014 6.179 -18.000 761 H GLU 104 HN GLU 104 -7.675 7.027 -20.879 762 HA GLU 104 HA GLU 104 -8.992 4.461 -20.700 763 1HB GLU 104 HB2 GLU 104 -9.785 7.230 -21.241 764 2HB GLU 104 HB1 GLU 104 -10.653 6.040 -22.200 765 1HG GLU 104 HG2 GLU 104 -10.385 5.680 -19.248 766 2HG GLU 104 HG1 GLU 104 -11.595 6.779 -19.908 767 H LEU 105 HN LEU 105 -8.111 6.680 -23.339 768 HA LEU 105 HA LEU 105 -8.278 4.400 -25.191 769 1HB LEU 105 HB2 LEU 105 -8.550 7.365 -25.618 770 2HB LEU 105 HB1 LEU 105 -8.308 6.252 -26.950 771 HG LEU 105 HG LEU 105 -10.499 5.413 -25.232 772 1HD1 LEU 105 1HD1 LEU 105 -11.371 7.747 -26.756 773 2HD1 LEU 105 2HD1 LEU 105 -10.344 8.136 -25.376 774 3HD1 LEU 105 3HD1 LEU 105 -11.825 7.209 -25.140 775 1HD2 LEU 105 1HD2 LEU 105 -11.537 5.871 -27.695 776 2HD2 LEU 105 2HD2 LEU 105 -10.695 4.394 -27.225 777 3HD2 LEU 105 3HD2 LEU 105 -9.829 5.669 -28.081 778 H THR 106 HN THR 106 -6.212 3.577 -24.787 779 HA THR 106 HA THR 106 -3.975 3.323 -25.102 780 HB THR 106 HB THR 106 -4.072 5.640 -27.023 781 HG1 THR 106 HG1 THR 106 -5.841 4.223 -27.440 782 1HG2 THR 106 1HG2 THR 106 -1.912 4.392 -26.505 783 2HG2 THR 106 2HG2 THR 106 -2.370 4.568 -28.199 784 3HG2 THR 106 3HG2 THR 106 -2.636 3.036 -27.367 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -16.108 11.683 5.764 2 2H GLY 1 HT2 GLY 1 -14.555 11.838 6.416 3 3H GLY 1 HT3 GLY 1 -15.751 10.998 7.270 4 1HA GLY 1 HA1 GLY 1 -13.918 10.001 5.392 5 2HA GLY 1 HA2 GLY 1 -15.105 9.117 6.339 6 H SER 2 HN SER 2 -14.628 8.068 3.978 7 HA SER 2 HA SER 2 -15.587 7.362 2.040 8 1HB SER 2 HB2 SER 2 -17.594 7.254 3.594 9 2HB SER 2 HB1 SER 2 -18.084 8.813 2.930 10 HG SER 2 HG SER 2 -18.500 7.895 1.024 11 H HIS 3 HN HIS 3 -14.430 8.482 0.530 12 HA HIS 3 HA HIS 3 -15.782 10.790 -0.653 13 1HB HIS 3 HB2 HIS 3 -13.132 10.808 0.633 14 2HB HIS 3 HB1 HIS 3 -13.170 11.524 -0.975 15 HD2 HIS 3 HD2 HIS 3 -15.802 13.290 -0.936 16 HE1 HIS 3 HE1 HIS 3 -14.441 14.795 2.793 17 HE2 HIS 3 HE2 HIS 3 -16.020 15.143 0.859 18 H MET 4 HN MET 4 -14.402 11.410 -2.747 19 HA MET 4 HA MET 4 -13.468 8.987 -4.090 20 1HB MET 4 HB2 MET 4 -14.876 9.529 -6.080 21 2HB MET 4 HB1 MET 4 -15.799 9.026 -4.670 22 1HG MET 4 HG2 MET 4 -15.947 11.601 -4.231 23 2HG MET 4 HG1 MET 4 -15.602 11.701 -5.957 24 1HE MET 4 HE1 MET 4 -19.137 12.675 -5.575 25 2HE MET 4 HE2 MET 4 -17.760 12.886 -4.495 26 3HE MET 4 HE3 MET 4 -19.135 11.903 -3.990 27 H GLN 5 HN GLN 5 -11.459 10.216 -3.711 28 HA GLN 5 HA GLN 5 -11.101 12.546 -5.440 29 1HB GLN 5 HB2 GLN 5 -10.148 11.961 -2.927 30 2HB GLN 5 HB1 GLN 5 -8.764 11.592 -3.948 31 1HG GLN 5 HG2 GLN 5 -8.289 13.740 -4.152 32 2HG GLN 5 HG1 GLN 5 -9.905 14.076 -4.772 33 1HE2 GLN 5 1HE2 GLN 5 -7.831 14.104 -2.007 34 2HE2 GLN 5 2HE2 GLN 5 -8.892 14.972 -0.956 35 H ALA 6 HN ALA 6 -9.525 9.412 -4.817 36 HA ALA 6 HA ALA 6 -8.009 9.607 -7.276 37 1HB ALA 6 HB1 ALA 6 -8.079 7.074 -5.739 38 2HB ALA 6 HB2 ALA 6 -7.388 8.488 -4.944 39 3HB ALA 6 HB3 ALA 6 -6.718 7.920 -6.473 40 H THR 7 HN THR 7 -8.187 8.223 -9.048 41 HA THR 7 HA THR 7 -10.759 6.797 -9.256 42 HB THR 7 HB THR 7 -9.255 7.980 -11.585 43 HG1 THR 7 HG1 THR 7 -9.745 9.738 -10.371 44 1HG2 THR 7 1HG2 THR 7 -11.259 7.826 -12.787 45 2HG2 THR 7 2HG2 THR 7 -12.203 7.497 -11.334 46 3HG2 THR 7 3HG2 THR 7 -11.089 6.280 -11.957 47 H TRP 8 HN TRP 8 -10.768 4.748 -10.081 48 HA TRP 8 HA TRP 8 -8.288 3.662 -11.175 49 1HB TRP 8 HB2 TRP 8 -9.736 2.481 -8.798 50 2HB TRP 8 HB1 TRP 8 -8.456 1.667 -9.695 51 HD1 TRP 8 HD1 TRP 8 -8.957 4.868 -7.570 52 HE1 TRP 8 HE1 TRP 8 -6.719 5.424 -6.428 53 HE3 TRP 8 HE3 TRP 8 -6.036 1.227 -9.680 54 HZ2 TRP 8 HZ2 TRP 8 -4.069 4.452 -6.422 55 HZ3 TRP 8 HZ3 TRP 8 -3.676 1.126 -9.054 56 HH2 TRP 8 HH2 TRP 8 -2.704 2.693 -7.462 57 H LYS 9 HN LYS 9 -8.565 1.557 -12.175 58 HA LYS 9 HA LYS 9 -11.286 0.724 -12.780 59 1HB LYS 9 HB2 LYS 9 -10.729 0.684 -15.250 60 2HB LYS 9 HB1 LYS 9 -10.991 2.279 -14.556 61 1HG LYS 9 HG2 LYS 9 -8.433 2.344 -14.283 62 2HG LYS 9 HG1 LYS 9 -8.430 1.008 -15.434 63 1HD LYS 9 HD2 LYS 9 -9.739 3.684 -15.909 64 2HD LYS 9 HD1 LYS 9 -8.142 3.226 -16.502 65 1HE LYS 9 HE2 LYS 9 -8.978 1.805 -18.075 66 2HE LYS 9 HE1 LYS 9 -10.406 1.414 -17.118 67 1HZ LYS 9 HZ1 LYS 9 -9.961 3.995 -18.517 68 2HZ LYS 9 HZ2 LYS 9 -11.355 3.538 -17.675 69 3HZ LYS 9 HZ3 LYS 9 -10.926 2.733 -19.100 70 H GLU 10 HN GLU 10 -8.990 -0.333 -11.339 71 HA GLU 10 HA GLU 10 -7.597 -2.247 -12.817 72 1HB GLU 10 HB2 GLU 10 -8.218 -2.825 -9.970 73 2HB GLU 10 HB1 GLU 10 -6.701 -2.973 -10.839 74 1HG GLU 10 HG2 GLU 10 -6.727 -0.402 -10.895 75 2HG GLU 10 HG1 GLU 10 -7.938 -0.539 -9.625 76 H LYS 11 HN LYS 11 -7.938 -4.310 -13.387 77 HA LYS 11 HA LYS 11 -10.603 -5.277 -13.532 78 1HB LYS 11 HB2 LYS 11 -8.016 -6.778 -13.995 79 2HB LYS 11 HB1 LYS 11 -9.610 -7.280 -14.533 80 1HG LYS 11 HG2 LYS 11 -9.728 -5.580 -16.140 81 2HG LYS 11 HG1 LYS 11 -8.388 -4.689 -15.417 82 1HD LYS 11 HD2 LYS 11 -6.912 -5.792 -16.664 83 2HD LYS 11 HD1 LYS 11 -7.540 -7.345 -16.111 84 1HE LYS 11 HE2 LYS 11 -8.850 -5.725 -18.283 85 2HE LYS 11 HE1 LYS 11 -7.606 -6.932 -18.607 86 1HZ LYS 11 HZ1 LYS 11 -8.984 -8.643 -18.030 87 2HZ LYS 11 HZ2 LYS 11 -10.119 -7.565 -18.672 88 3HZ LYS 11 HZ3 LYS 11 -9.935 -7.700 -16.996 89 H ASP 12 HN ASP 12 -10.103 -8.092 -12.953 90 HA ASP 12 HA ASP 12 -9.803 -7.990 -10.034 91 1HB ASP 12 HB2 ASP 12 -12.172 -8.588 -11.514 92 2HB ASP 12 HB1 ASP 12 -11.652 -10.050 -10.682 93 H GLY 13 HN GLY 13 -8.122 -8.933 -12.417 94 1HA GLY 13 HA2 GLY 13 -7.819 -11.755 -11.653 95 2HA GLY 13 HA1 GLY 13 -7.190 -11.021 -13.119 96 H ALA 14 HN ALA 14 -5.183 -12.079 -12.542 97 HA ALA 14 HA ALA 14 -3.761 -11.414 -10.177 98 1HB ALA 14 HB1 ALA 14 -3.468 -13.272 -12.186 99 2HB ALA 14 HB2 ALA 14 -2.347 -12.995 -10.854 100 3HB ALA 14 HB3 ALA 14 -2.080 -12.208 -12.411 101 H VAL 15 HN VAL 15 -1.245 -10.757 -10.908 102 HA VAL 15 HA VAL 15 -1.405 -7.925 -11.293 103 HB VAL 15 HB VAL 15 0.361 -8.906 -9.907 104 1HG1 VAL 15 1HG1 VAL 15 1.037 -10.289 -12.438 105 2HG1 VAL 15 2HG1 VAL 15 1.127 -10.865 -10.775 106 3HG1 VAL 15 3HG1 VAL 15 2.371 -9.783 -11.402 107 1HG2 VAL 15 1HG2 VAL 15 1.967 -7.683 -12.039 108 2HG2 VAL 15 2HG2 VAL 15 1.774 -7.222 -10.352 109 3HG2 VAL 15 3HG2 VAL 15 0.553 -6.758 -11.530 110 H GLU 16 HN GLU 16 -0.558 -6.691 -13.067 111 HA GLU 16 HA GLU 16 0.024 -8.202 -15.488 112 1HB GLU 16 HB2 GLU 16 -2.270 -6.383 -15.084 113 2HB GLU 16 HB1 GLU 16 -1.367 -6.146 -16.569 114 1HG GLU 16 HG2 GLU 16 -1.635 -8.774 -16.709 115 2HG GLU 16 HG1 GLU 16 -3.033 -8.433 -15.690 116 H ALA 17 HN ALA 17 0.982 -6.836 -17.149 117 HA ALA 17 HA ALA 17 3.325 -5.824 -16.807 118 1HB ALA 17 HB1 ALA 17 3.208 -4.586 -18.719 119 2HB ALA 17 HB2 ALA 17 1.663 -3.855 -18.287 120 3HB ALA 17 HB3 ALA 17 1.718 -5.519 -18.866 121 H GLU 18 HN GLU 18 0.884 -3.192 -16.666 122 HA GLU 18 HA GLU 18 2.495 -2.027 -14.484 123 1HB GLU 18 HB2 GLU 18 0.807 -0.477 -16.441 124 2HB GLU 18 HB1 GLU 18 1.985 0.160 -15.302 125 1HG GLU 18 HG2 GLU 18 3.077 -1.794 -17.182 126 2HG GLU 18 HG1 GLU 18 2.446 -0.331 -17.937 127 H ASP 19 HN ASP 19 1.011 -3.442 -13.165 128 HA ASP 19 HA ASP 19 -1.672 -2.328 -12.792 129 1HB ASP 19 HB2 ASP 19 -0.307 -4.867 -11.947 130 2HB ASP 19 HB1 ASP 19 -1.846 -4.379 -11.254 131 H ARG 20 HN ARG 20 -2.305 -2.870 -10.264 132 HA ARG 20 HA ARG 20 -0.307 -1.713 -8.481 133 1HB ARG 20 HB2 ARG 20 -2.990 -0.537 -9.096 134 2HB ARG 20 HB1 ARG 20 -2.272 -0.308 -7.508 135 1HG ARG 20 HG2 ARG 20 -0.424 0.295 -9.668 136 2HG ARG 20 HG1 ARG 20 -1.883 1.279 -9.712 137 1HD ARG 20 HD2 ARG 20 -1.363 1.479 -7.117 138 2HD ARG 20 HD1 ARG 20 0.275 1.186 -7.687 139 HE ARG 20 HE ARG 20 -0.565 3.130 -9.340 140 1HH1 ARG 20 1HH1 ARG 20 -0.631 2.834 -5.864 141 2HH1 ARG 20 2HH1 ARG 20 -0.511 4.539 -5.593 142 1HH2 ARG 20 1HH2 ARG 20 -0.393 5.368 -8.986 143 2HH2 ARG 20 2HH2 ARG 20 -0.369 5.978 -7.366 144 H VAL 21 HN VAL 21 -0.148 -3.137 -6.852 145 HA VAL 21 HA VAL 21 -2.432 -4.804 -6.118 146 HB VAL 21 HB VAL 21 -0.800 -6.061 -4.751 147 1HG1 VAL 21 1HG1 VAL 21 0.233 -7.193 -6.539 148 2HG1 VAL 21 2HG1 VAL 21 0.297 -5.732 -7.528 149 3HG1 VAL 21 3HG1 VAL 21 -1.251 -6.512 -7.212 150 1HG2 VAL 21 1HG2 VAL 21 0.820 -3.729 -5.304 151 2HG2 VAL 21 2HG2 VAL 21 1.658 -5.222 -5.722 152 3HG2 VAL 21 3HG2 VAL 21 1.030 -4.989 -4.089 153 H THR 22 HN THR 22 -2.650 -5.292 -3.710 154 HA THR 22 HA THR 22 -2.241 -2.845 -2.113 155 HB THR 22 HB THR 22 -4.596 -4.745 -2.046 156 HG1 THR 22 HG1 THR 22 -4.464 -3.032 -3.706 157 1HG2 THR 22 1HG2 THR 22 -5.243 -2.513 -0.554 158 2HG2 THR 22 2HG2 THR 22 -3.609 -2.928 -0.028 159 3HG2 THR 22 3HG2 THR 22 -4.897 -4.132 0.059 160 H ILE 23 HN ILE 23 -0.718 -3.293 -0.611 161 HA ILE 23 HA ILE 23 -0.843 -5.936 0.679 162 HB ILE 23 HB ILE 23 1.551 -6.126 0.673 163 1HG1 ILE 23 2HG1 ILE 23 1.950 -3.608 0.718 164 2HG1 ILE 23 1HG1 ILE 23 3.057 -4.565 -0.250 165 1HG2 ILE 23 1HG2 ILE 23 0.138 -6.832 -1.318 166 2HG2 ILE 23 2HG2 ILE 23 1.876 -6.697 -1.575 167 3HG2 ILE 23 3HG2 ILE 23 0.796 -5.425 -2.142 168 1HD1 ILE 23 1HD1 ILE 23 0.792 -3.644 -1.794 169 2HD1 ILE 23 2HD1 ILE 23 2.521 -3.484 -2.102 170 3HD1 ILE 23 3HD1 ILE 23 1.699 -2.320 -1.069 171 H ASP 24 HN ASP 24 0.046 -6.120 2.760 172 HA ASP 24 HA ASP 24 0.335 -3.584 4.260 173 1HB ASP 24 HB2 ASP 24 -0.531 -4.932 6.239 174 2HB ASP 24 HB1 ASP 24 -1.724 -4.586 4.996 175 H PHE 25 HN PHE 25 2.362 -3.407 5.204 176 HA PHE 25 HA PHE 25 3.754 -5.893 5.894 177 1HB PHE 25 HB2 PHE 25 5.779 -5.252 4.762 178 2HB PHE 25 HB1 PHE 25 4.443 -5.243 3.615 179 HD1 PHE 25 HD1 PHE 25 3.934 -3.342 2.371 180 HD2 PHE 25 HD2 PHE 25 6.573 -3.050 5.704 181 HE1 PHE 25 HE1 PHE 25 4.469 -1.026 1.755 182 HE2 PHE 25 HE2 PHE 25 7.104 -0.725 5.081 183 HZ PHE 25 HZ PHE 25 6.043 0.281 3.096 184 H THR 26 HN THR 26 5.840 -5.498 7.032 185 HA THR 26 HA THR 26 6.021 -3.008 8.520 186 HB THR 26 HB THR 26 5.675 -5.641 9.963 187 HG1 THR 26 HG1 THR 26 3.855 -3.569 9.392 188 1HG2 THR 26 1HG2 THR 26 6.618 -4.551 11.649 189 2HG2 THR 26 2HG2 THR 26 5.119 -3.626 11.728 190 3HG2 THR 26 3HG2 THR 26 6.499 -2.995 10.828 191 H GLY 27 HN GLY 27 8.123 -2.497 8.369 192 1HA GLY 27 HA2 GLY 27 10.130 -4.429 9.190 193 2HA GLY 27 HA1 GLY 27 10.222 -3.946 7.510 194 H SER 28 HN SER 28 12.367 -3.506 9.041 195 HA SER 28 HA SER 28 12.275 -0.636 9.729 196 1HB SER 28 HB2 SER 28 14.676 -1.497 10.716 197 2HB SER 28 HB1 SER 28 13.177 -1.458 11.651 198 HG SER 28 HG SER 28 14.624 -3.544 11.188 199 H VAL 29 HN VAL 29 14.392 0.507 9.363 200 HA VAL 29 HA VAL 29 15.302 -0.070 6.660 201 HB VAL 29 HB VAL 29 15.840 2.424 8.236 202 1HG1 VAL 29 1HG1 VAL 29 16.084 1.657 5.360 203 2HG1 VAL 29 2HG1 VAL 29 17.276 2.414 6.414 204 3HG1 VAL 29 3HG1 VAL 29 15.895 3.344 5.832 205 1HG2 VAL 29 1HG2 VAL 29 13.918 3.328 6.755 206 2HG2 VAL 29 2HG2 VAL 29 13.530 2.442 8.229 207 3HG2 VAL 29 3HG2 VAL 29 13.428 1.636 6.664 208 H ASP 30 HN ASP 30 17.095 1.655 9.170 209 HA ASP 30 HA ASP 30 19.380 -0.078 8.607 210 1HB ASP 30 HB2 ASP 30 19.069 2.707 9.206 211 2HB ASP 30 HB1 ASP 30 20.067 1.975 10.460 212 H GLY 31 HN GLY 31 17.365 -1.329 9.983 213 1HA GLY 31 HA2 GLY 31 17.560 -2.893 11.758 214 2HA GLY 31 HA1 GLY 31 18.665 -1.793 12.571 215 H GLU 32 HN GLU 32 16.508 0.310 11.634 216 HA GLU 32 HA GLU 32 14.611 -0.195 13.817 217 1HB GLU 32 HB2 GLU 32 14.663 2.207 14.348 218 2HB GLU 32 HB1 GLU 32 16.228 1.445 14.586 219 1HG GLU 32 HG2 GLU 32 17.222 2.711 13.038 220 2HG GLU 32 HG1 GLU 32 15.855 2.606 11.929 221 H GLU 33 HN GLU 33 12.537 0.091 13.304 222 HA GLU 33 HA GLU 33 11.788 0.565 10.609 223 1HB GLU 33 HB2 GLU 33 10.029 0.362 13.056 224 2HB GLU 33 HB1 GLU 33 9.515 0.188 11.385 225 1HG GLU 33 HG2 GLU 33 11.052 -1.787 11.223 226 2HG GLU 33 HG1 GLU 33 11.277 -1.661 12.966 227 H PHE 34 HN PHE 34 11.639 2.506 9.701 228 HA PHE 34 HA PHE 34 11.447 4.878 11.281 229 1HB PHE 34 HB2 PHE 34 11.959 6.027 9.279 230 2HB PHE 34 HB1 PHE 34 12.934 4.567 9.286 231 HD1 PHE 34 HD1 PHE 34 11.707 6.569 7.060 232 HD2 PHE 34 HD2 PHE 34 10.978 2.555 8.279 233 HE1 PHE 34 HE1 PHE 34 10.868 6.038 4.811 234 HE2 PHE 34 HE2 PHE 34 10.141 2.022 6.034 235 HZ PHE 34 HZ PHE 34 10.084 3.762 4.295 236 H GLU 35 HN GLU 35 10.016 6.027 8.796 237 HA GLU 35 HA GLU 35 7.462 6.279 10.025 238 1HB GLU 35 HB2 GLU 35 8.457 7.101 7.291 239 2HB GLU 35 HB1 GLU 35 6.872 7.513 7.929 240 1HG GLU 35 HG2 GLU 35 7.677 9.143 9.234 241 2HG GLU 35 HG1 GLU 35 9.117 8.224 9.673 242 H GLY 36 HN GLY 36 8.522 4.847 6.937 243 1HA GLY 36 HA2 GLY 36 5.976 3.547 6.545 244 2HA GLY 36 HA1 GLY 36 7.388 3.412 5.509 245 H GLY 37 HN GLY 37 8.071 2.828 8.794 246 1HA GLY 37 HA2 GLY 37 8.929 0.217 8.360 247 2HA GLY 37 HA1 GLY 37 8.623 0.932 9.933 248 H LYS 38 HN LYS 38 5.742 1.314 8.600 249 HA LYS 38 HA LYS 38 4.791 -1.407 8.713 250 1HB LYS 38 HB2 LYS 38 3.152 -0.948 10.504 251 2HB LYS 38 HB1 LYS 38 4.814 -0.873 11.072 252 1HG LYS 38 HG2 LYS 38 4.623 1.260 11.685 253 2HG LYS 38 HG1 LYS 38 3.796 1.709 10.193 254 1HD LYS 38 HD2 LYS 38 2.422 0.209 12.408 255 2HD LYS 38 HD1 LYS 38 2.486 1.971 12.361 256 1HE LYS 38 HE2 LYS 38 1.413 1.932 10.149 257 2HE LYS 38 HE1 LYS 38 1.324 0.173 10.234 258 1HZ LYS 38 HZ1 LYS 38 0.158 0.984 12.551 259 2HZ LYS 38 HZ2 LYS 38 -0.661 0.506 11.151 260 3HZ LYS 38 HZ3 LYS 38 -0.371 2.147 11.440 261 H ALA 39 HN ALA 39 3.316 -1.636 7.212 262 HA ALA 39 HA ALA 39 1.509 0.589 6.586 263 1HB ALA 39 HB1 ALA 39 1.800 -0.545 4.140 264 2HB ALA 39 HB2 ALA 39 3.433 -0.728 4.788 265 3HB ALA 39 HB3 ALA 39 2.696 0.873 4.689 266 H SER 40 HN SER 40 -0.552 -0.020 5.913 267 HA SER 40 HA SER 40 -1.162 -2.881 6.260 268 1HB SER 40 HB2 SER 40 -2.190 -1.650 8.039 269 2HB SER 40 HB1 SER 40 -2.806 -0.432 6.923 270 HG SER 40 HG SER 40 -4.206 -1.969 6.074 271 H ASP 41 HN ASP 41 -2.468 0.036 4.643 272 HA ASP 41 HA ASP 41 -3.382 -1.653 2.456 273 1HB ASP 41 HB2 ASP 41 -4.210 1.137 3.303 274 2HB ASP 41 HB1 ASP 41 -4.768 0.343 1.832 275 H PHE 42 HN PHE 42 -1.010 -1.695 1.902 276 HA PHE 42 HA PHE 42 0.033 0.809 0.855 277 1HB PHE 42 HB2 PHE 42 1.481 -0.830 2.113 278 2HB PHE 42 HB1 PHE 42 1.315 -1.924 0.751 279 HD1 PHE 42 HD1 PHE 42 3.485 -2.058 -0.133 280 HD2 PHE 42 HD2 PHE 42 1.786 1.754 0.729 281 HE1 PHE 42 HE1 PHE 42 5.384 -0.959 -1.240 282 HE2 PHE 42 HE2 PHE 42 3.689 2.854 -0.371 283 HZ PHE 42 HZ PHE 42 5.492 1.497 -1.357 284 H VAL 43 HN VAL 43 -0.636 1.432 -1.105 285 HA VAL 43 HA VAL 43 -1.479 -0.556 -3.047 286 HB VAL 43 HB VAL 43 -1.473 2.450 -3.299 287 1HG1 VAL 43 1HG1 VAL 43 -3.475 0.952 -4.786 288 2HG1 VAL 43 2HG1 VAL 43 -1.829 0.501 -5.236 289 3HG1 VAL 43 3HG1 VAL 43 -2.345 2.185 -5.343 290 1HG2 VAL 43 1HG2 VAL 43 -3.839 0.727 -2.600 291 2HG2 VAL 43 2HG2 VAL 43 -3.714 2.486 -2.554 292 3HG2 VAL 43 3HG2 VAL 43 -2.832 1.509 -1.381 293 H LEU 44 HN LEU 44 0.335 -1.514 -3.813 294 HA LEU 44 HA LEU 44 2.577 0.093 -4.710 295 1HB LEU 44 HB2 LEU 44 2.238 -2.531 -3.762 296 2HB LEU 44 HB1 LEU 44 2.752 -2.688 -5.431 297 HG LEU 44 HG LEU 44 4.212 -1.265 -3.213 298 1HD1 LEU 44 1HD1 LEU 44 5.089 -3.581 -4.909 299 2HD1 LEU 44 2HD1 LEU 44 4.275 -3.775 -3.356 300 3HD1 LEU 44 3HD1 LEU 44 5.828 -2.957 -3.441 301 1HD2 LEU 44 1HD2 LEU 44 5.806 -1.501 -5.529 302 2HD2 LEU 44 2HD2 LEU 44 5.245 -0.029 -4.738 303 3HD2 LEU 44 3HD2 LEU 44 4.282 -0.761 -6.021 304 H ALA 45 HN ALA 45 3.086 0.537 -6.757 305 HA ALA 45 HA ALA 45 1.175 -0.279 -8.822 306 1HB ALA 45 HB1 ALA 45 1.297 1.863 -9.399 307 2HB ALA 45 HB2 ALA 45 2.962 1.585 -9.906 308 3HB ALA 45 HB3 ALA 45 2.621 2.143 -8.268 309 H MET 46 HN MET 46 1.808 -2.183 -9.695 310 HA MET 46 HA MET 46 4.516 -2.989 -9.924 311 1HB MET 46 HB2 MET 46 1.909 -4.115 -10.476 312 2HB MET 46 HB1 MET 46 3.048 -4.503 -11.759 313 1HG MET 46 HG2 MET 46 3.930 -4.858 -8.949 314 2HG MET 46 HG1 MET 46 2.789 -6.018 -9.621 315 1HE MET 46 HE1 MET 46 5.715 -4.080 -11.510 316 2HE MET 46 HE2 MET 46 7.032 -5.214 -11.218 317 3HE MET 46 HE3 MET 46 6.273 -4.381 -9.863 318 H GLY 47 HN GLY 47 5.376 -1.105 -10.947 319 1HA GLY 47 HA2 GLY 47 6.580 -0.698 -12.996 320 2HA GLY 47 HA1 GLY 47 5.186 -1.297 -13.881 321 H GLN 48 HN GLN 48 6.231 1.349 -11.762 322 HA GLN 48 HA GLN 48 4.564 3.170 -13.362 323 1HB GLN 48 HB2 GLN 48 4.464 2.670 -10.487 324 2HB GLN 48 HB1 GLN 48 4.712 4.368 -10.867 325 1HG GLN 48 HG2 GLN 48 2.586 2.906 -12.330 326 2HG GLN 48 HG1 GLN 48 2.303 3.326 -10.644 327 1HE2 GLN 48 1HE2 GLN 48 0.572 4.469 -12.065 328 2HE2 GLN 48 2HE2 GLN 48 0.926 6.117 -12.445 329 H GLY 49 HN GLY 49 6.960 3.382 -10.731 330 1HA GLY 49 HA2 GLY 49 8.356 5.465 -12.266 331 2HA GLY 49 HA1 GLY 49 8.536 5.165 -10.542 332 H ARG 50 HN ARG 50 9.162 2.647 -10.252 333 HA ARG 50 HA ARG 50 10.833 1.388 -12.077 334 1HB ARG 50 HB2 ARG 50 13.062 1.917 -11.248 335 2HB ARG 50 HB1 ARG 50 12.276 3.367 -11.852 336 1HG ARG 50 HG2 ARG 50 12.541 4.384 -9.906 337 2HG ARG 50 HG1 ARG 50 11.733 3.066 -9.055 338 1HD ARG 50 HD2 ARG 50 14.110 3.583 -8.347 339 2HD ARG 50 HD1 ARG 50 13.752 1.902 -8.727 340 HE ARG 50 HE ARG 50 15.311 3.761 -10.380 341 1HH1 ARG 50 1HH1 ARG 50 14.203 0.508 -9.732 342 2HH1 ARG 50 2HH1 ARG 50 15.330 -0.220 -10.823 343 1HH2 ARG 50 1HH2 ARG 50 16.783 2.796 -11.814 344 2HH2 ARG 50 2HH2 ARG 50 16.793 1.075 -12.003 345 H MET 51 HN MET 51 9.249 0.009 -10.834 346 HA MET 51 HA MET 51 9.390 -0.686 -8.199 347 1HB MET 51 HB2 MET 51 7.946 -1.616 -10.195 348 2HB MET 51 HB1 MET 51 9.164 -2.884 -10.211 349 1HG MET 51 HG2 MET 51 7.846 -3.891 -8.724 350 2HG MET 51 HG1 MET 51 8.549 -2.762 -7.567 351 1HE MET 51 HE1 MET 51 5.867 0.114 -7.611 352 2HE MET 51 HE2 MET 51 7.495 -0.094 -8.257 353 3HE MET 51 HE3 MET 51 7.142 -0.557 -6.592 354 H ILE 52 HN ILE 52 11.089 -1.141 -6.992 355 HA ILE 52 HA ILE 52 13.550 -2.115 -8.027 356 HB ILE 52 HB ILE 52 13.917 -2.617 -5.439 357 1HG1 ILE 52 2HG1 ILE 52 11.751 -0.505 -5.382 358 2HG1 ILE 52 1HG1 ILE 52 11.518 -2.180 -4.885 359 1HG2 ILE 52 1HG2 ILE 52 13.838 0.120 -6.693 360 2HG2 ILE 52 2HG2 ILE 52 15.188 -1.015 -6.697 361 3HG2 ILE 52 3HG2 ILE 52 14.665 -0.273 -5.186 362 1HD1 ILE 52 1HD1 ILE 52 13.148 -1.895 -3.114 363 2HD1 ILE 52 2HD1 ILE 52 11.870 -0.686 -2.986 364 3HD1 ILE 52 3HD1 ILE 52 13.448 -0.237 -3.636 365 HA PRO 53 HA PRO 53 13.147 -6.492 -7.973 366 1HB PRO 53 HB2 PRO 53 15.365 -7.285 -6.534 367 2HB PRO 53 HB1 PRO 53 15.383 -6.845 -8.245 368 1HG PRO 53 HG2 PRO 53 16.120 -5.206 -5.856 369 2HG PRO 53 HG1 PRO 53 16.903 -5.292 -7.445 370 1HD PRO 53 HD2 PRO 53 15.302 -3.243 -6.777 371 2HD PRO 53 HD1 PRO 53 15.343 -3.890 -8.429 372 H GLY 54 HN GLY 54 13.326 -4.716 -5.033 373 1HA GLY 54 HA2 GLY 54 12.904 -6.870 -3.221 374 2HA GLY 54 HA1 GLY 54 12.656 -5.163 -2.891 375 H PHE 55 HN PHE 55 10.674 -4.281 -4.261 376 HA PHE 55 HA PHE 55 8.419 -5.648 -3.216 377 1HB PHE 55 HB2 PHE 55 8.707 -3.250 -5.024 378 2HB PHE 55 HB1 PHE 55 7.135 -3.895 -4.576 379 HD1 PHE 55 HD1 PHE 55 6.725 -4.133 -1.981 380 HD2 PHE 55 HD2 PHE 55 9.645 -1.595 -3.754 381 HE1 PHE 55 HE1 PHE 55 6.750 -2.770 0.039 382 HE2 PHE 55 HE2 PHE 55 9.670 -0.211 -1.722 383 HZ PHE 55 HZ PHE 55 8.218 -0.796 0.176 384 H GLU 56 HN GLU 56 9.745 -5.174 -6.450 385 HA GLU 56 HA GLU 56 7.746 -6.367 -7.956 386 1HB GLU 56 HB2 GLU 56 10.212 -5.292 -8.478 387 2HB GLU 56 HB1 GLU 56 10.473 -6.988 -8.853 388 1HG GLU 56 HG2 GLU 56 8.263 -6.736 -10.208 389 2HG GLU 56 HG1 GLU 56 8.653 -5.019 -10.144 390 H ASP 57 HN ASP 57 9.986 -7.808 -5.767 391 HA ASP 57 HA ASP 57 9.806 -10.452 -6.885 392 1HB ASP 57 HB2 ASP 57 11.686 -9.361 -5.376 393 2HB ASP 57 HB1 ASP 57 10.699 -9.999 -4.072 394 H GLY 58 HN GLY 58 9.025 -9.478 -3.529 395 1HA GLY 58 HA2 GLY 58 7.192 -11.592 -3.193 396 2HA GLY 58 HA1 GLY 58 7.356 -10.200 -2.134 397 H ILE 59 HN ILE 59 6.596 -8.114 -3.577 398 HA ILE 59 HA ILE 59 3.770 -8.513 -3.877 399 HB ILE 59 HB ILE 59 5.348 -5.979 -4.367 400 1HG1 ILE 59 2HG1 ILE 59 4.654 -5.601 -1.875 401 2HG1 ILE 59 1HG1 ILE 59 4.633 -7.345 -1.799 402 1HG2 ILE 59 1HG2 ILE 59 2.557 -6.676 -4.292 403 2HG2 ILE 59 2HG2 ILE 59 3.322 -5.150 -4.737 404 3HG2 ILE 59 3HG2 ILE 59 2.927 -5.478 -3.051 405 1HD1 ILE 59 1HD1 ILE 59 6.844 -7.435 -1.693 406 2HD1 ILE 59 2HD1 ILE 59 6.802 -5.697 -1.422 407 3HD1 ILE 59 3HD1 ILE 59 7.018 -6.330 -3.047 408 H LYS 60 HN LYS 60 5.221 -9.866 -5.669 409 HA LYS 60 HA LYS 60 5.519 -8.745 -8.246 410 1HB LYS 60 HB2 LYS 60 4.754 -11.080 -9.097 411 2HB LYS 60 HB1 LYS 60 6.245 -10.978 -8.178 412 1HG LYS 60 HG2 LYS 60 4.495 -11.463 -6.185 413 2HG LYS 60 HG1 LYS 60 3.701 -12.294 -7.522 414 1HD LYS 60 HD2 LYS 60 6.606 -12.686 -6.849 415 2HD LYS 60 HD1 LYS 60 5.323 -13.675 -6.156 416 1HE LYS 60 HE2 LYS 60 5.820 -14.973 -7.953 417 2HE LYS 60 HE1 LYS 60 4.656 -13.895 -8.723 418 1HZ LYS 60 HZ1 LYS 60 6.600 -14.087 -10.092 419 2HZ LYS 60 HZ2 LYS 60 7.616 -13.657 -8.811 420 3HZ LYS 60 HZ3 LYS 60 6.544 -12.519 -9.458 421 H GLY 61 HN GLY 61 2.790 -10.301 -6.708 422 1HA GLY 61 HA2 GLY 61 0.601 -9.217 -6.646 423 2HA GLY 61 HA1 GLY 61 0.921 -8.656 -8.284 424 H HIS 62 HN HIS 62 1.397 -11.776 -6.739 425 HA HIS 62 HA HIS 62 -0.441 -12.955 -8.739 426 1HB HIS 62 HB2 HIS 62 0.987 -14.836 -9.021 427 2HB HIS 62 HB1 HIS 62 1.998 -13.403 -9.169 428 HD2 HIS 62 HD2 HIS 62 2.200 -13.208 -5.710 429 HE1 HIS 62 HE1 HIS 62 4.456 -16.741 -6.355 430 HE2 HIS 62 HE2 HIS 62 3.976 -14.837 -4.778 431 H LYS 63 HN LYS 63 0.311 -12.681 -5.424 432 HA LYS 63 HA LYS 63 -1.516 -14.914 -4.835 433 1HB LYS 63 HB2 LYS 63 0.946 -13.976 -3.405 434 2HB LYS 63 HB1 LYS 63 -0.320 -14.823 -2.530 435 1HG LYS 63 HG2 LYS 63 0.986 -15.937 -4.991 436 2HG LYS 63 HG1 LYS 63 1.573 -16.243 -3.354 437 1HD LYS 63 HD2 LYS 63 -0.358 -17.419 -2.756 438 2HD LYS 63 HD1 LYS 63 -1.285 -16.762 -4.106 439 1HE LYS 63 HE2 LYS 63 0.938 -18.114 -5.204 440 2HE LYS 63 HE1 LYS 63 0.246 -19.171 -3.973 441 1HZ LYS 63 HZ1 LYS 63 -1.131 -19.750 -5.624 442 2HZ LYS 63 HZ2 LYS 63 -0.843 -18.347 -6.522 443 3HZ LYS 63 HZ3 LYS 63 -1.949 -18.319 -5.243 444 H ALA 64 HN ALA 64 -3.331 -13.519 -4.948 445 HA ALA 64 HA ALA 64 -3.625 -11.147 -3.479 446 1HB ALA 64 HB1 ALA 64 -5.930 -11.279 -3.973 447 2HB ALA 64 HB2 ALA 64 -5.870 -13.034 -4.135 448 3HB ALA 64 HB3 ALA 64 -5.105 -12.009 -5.349 449 H GLY 65 HN GLY 65 -2.955 -11.312 -1.343 450 1HA GLY 65 HA2 GLY 65 -3.860 -11.508 0.883 451 2HA GLY 65 HA1 GLY 65 -4.683 -12.971 0.371 452 H GLU 66 HN GLU 66 -1.315 -12.164 -0.262 453 HA GLU 66 HA GLU 66 -0.511 -14.616 1.123 454 1HB GLU 66 HB2 GLU 66 0.170 -13.671 -1.312 455 2HB GLU 66 HB1 GLU 66 1.484 -13.011 -0.358 456 1HG GLU 66 HG2 GLU 66 2.157 -15.115 -1.276 457 2HG GLU 66 HG1 GLU 66 1.986 -15.276 0.470 458 H GLU 67 HN GLU 67 1.652 -14.545 2.200 459 HA GLU 67 HA GLU 67 2.208 -12.018 3.567 460 1HB GLU 67 HB2 GLU 67 2.455 -13.190 5.721 461 2HB GLU 67 HB1 GLU 67 0.810 -13.283 5.112 462 1HG GLU 67 HG2 GLU 67 1.245 -15.558 4.310 463 2HG GLU 67 HG1 GLU 67 2.880 -15.462 4.960 464 H PHE 68 HN PHE 68 4.201 -11.578 2.814 465 HA PHE 68 HA PHE 68 6.268 -13.645 3.144 466 1HB PHE 68 HB2 PHE 68 7.212 -12.941 0.911 467 2HB PHE 68 HB1 PHE 68 5.693 -13.835 0.835 468 HD1 PHE 68 HD1 PHE 68 3.738 -12.862 -0.032 469 HD2 PHE 68 HD2 PHE 68 7.206 -10.494 0.625 470 HE1 PHE 68 HE1 PHE 68 2.700 -11.016 -1.264 471 HE2 PHE 68 HE2 PHE 68 6.170 -8.633 -0.615 472 HZ PHE 68 HZ PHE 68 3.909 -8.899 -1.563 473 H THR 69 HN THR 69 8.497 -12.700 2.851 474 HA THR 69 HA THR 69 8.584 -9.911 3.766 475 HB THR 69 HB THR 69 10.467 -12.079 4.695 476 HG1 THR 69 HG1 THR 69 8.356 -12.488 5.457 477 1HG2 THR 69 1HG2 THR 69 11.590 -10.179 5.222 478 2HG2 THR 69 2HG2 THR 69 10.566 -10.327 6.652 479 3HG2 THR 69 3HG2 THR 69 10.122 -9.215 5.359 480 H ILE 70 HN ILE 70 9.795 -8.602 2.499 481 HA ILE 70 HA ILE 70 11.999 -9.858 1.002 482 HB ILE 70 HB ILE 70 11.483 -8.657 -1.011 483 1HG1 ILE 70 2HG1 ILE 70 10.497 -6.644 0.081 484 2HG1 ILE 70 1HG1 ILE 70 9.550 -7.230 -1.281 485 1HG2 ILE 70 1HG2 ILE 70 10.313 -10.490 -1.471 486 2HG2 ILE 70 2HG2 ILE 70 8.872 -9.555 -1.075 487 3HG2 ILE 70 3HG2 ILE 70 9.635 -10.561 0.154 488 1HD1 ILE 70 1HD1 ILE 70 7.780 -7.203 0.039 489 2HD1 ILE 70 2HD1 ILE 70 8.781 -6.848 1.449 490 3HD1 ILE 70 3HD1 ILE 70 8.504 -8.520 0.960 491 H ASP 71 HN ASP 71 13.487 -8.183 0.068 492 HA ASP 71 HA ASP 71 13.940 -6.128 2.096 493 1HB ASP 71 HB2 ASP 71 16.181 -5.924 1.036 494 2HB ASP 71 HB1 ASP 71 15.850 -7.562 1.594 495 H VAL 72 HN VAL 72 14.278 -3.919 1.459 496 HA VAL 72 HA VAL 72 13.634 -3.246 -1.299 497 HB VAL 72 HB VAL 72 12.069 -1.395 -0.347 498 1HG1 VAL 72 1HG1 VAL 72 10.123 -2.904 -0.608 499 2HG1 VAL 72 2HG1 VAL 72 11.229 -4.277 -0.601 500 3HG1 VAL 72 3HG1 VAL 72 11.323 -3.079 -1.891 501 1HG2 VAL 72 1HG2 VAL 72 12.669 -2.297 2.042 502 2HG2 VAL 72 2HG2 VAL 72 11.371 -3.442 1.702 503 3HG2 VAL 72 3HG2 VAL 72 11.046 -1.710 1.679 504 H THR 73 HN THR 73 14.794 -1.535 -2.011 505 HA THR 73 HA THR 73 15.736 0.464 -0.160 506 HB THR 73 HB THR 73 17.571 -1.423 -1.641 507 HG1 THR 73 HG1 THR 73 17.150 -1.968 0.491 508 1HG2 THR 73 1HG2 THR 73 18.050 1.405 -0.941 509 2HG2 THR 73 2HG2 THR 73 18.754 0.410 -2.217 510 3HG2 THR 73 3HG2 THR 73 19.331 0.253 -0.560 511 H PHE 74 HN PHE 74 15.418 2.355 -1.160 512 HA PHE 74 HA PHE 74 14.890 2.363 -3.994 513 1HB PHE 74 HB2 PHE 74 14.667 4.454 -1.846 514 2HB PHE 74 HB1 PHE 74 14.324 4.780 -3.543 515 HD1 PHE 74 HD1 PHE 74 13.473 2.117 -1.053 516 HD2 PHE 74 HD2 PHE 74 12.126 4.754 -4.092 517 HE1 PHE 74 HE1 PHE 74 11.183 1.252 -0.781 518 HE2 PHE 74 HE2 PHE 74 9.833 3.906 -3.833 519 HZ PHE 74 HZ PHE 74 9.358 2.155 -2.171 520 HA PRO 75 HA PRO 75 19.013 3.571 -5.120 521 1HB PRO 75 HB2 PRO 75 18.458 4.435 -7.643 522 2HB PRO 75 HB1 PRO 75 18.606 2.729 -7.208 523 1HG PRO 75 HG2 PRO 75 16.144 4.389 -7.565 524 2HG PRO 75 HG1 PRO 75 16.458 2.725 -8.089 525 1HD PRO 75 HD2 PRO 75 15.001 3.298 -5.892 526 2HD PRO 75 HD1 PRO 75 16.028 1.854 -5.996 527 H GLU 76 HN GLU 76 20.006 5.513 -6.383 528 HA GLU 76 HA GLU 76 19.304 7.875 -4.924 529 1HB GLU 76 HB2 GLU 76 21.651 7.096 -5.588 530 2HB GLU 76 HB1 GLU 76 21.282 7.724 -7.189 531 1HG GLU 76 HG2 GLU 76 20.892 9.942 -6.209 532 2HG GLU 76 HG1 GLU 76 21.324 9.300 -4.625 533 H GLU 77 HN GLU 77 18.182 6.539 -7.793 534 HA GLU 77 HA GLU 77 17.659 9.084 -9.096 535 1HB GLU 77 HB2 GLU 77 16.561 7.633 -10.841 536 2HB GLU 77 HB1 GLU 77 18.278 7.355 -10.596 537 1HG GLU 77 HG2 GLU 77 16.950 5.600 -8.856 538 2HG GLU 77 HG1 GLU 77 16.091 5.524 -10.392 539 H TYR 78 HN TYR 78 15.997 6.694 -7.176 540 HA TYR 78 HA TYR 78 13.346 7.544 -7.785 541 1HB TYR 78 HB2 TYR 78 14.208 5.342 -6.644 542 2HB TYR 78 HB1 TYR 78 14.070 6.276 -5.162 543 HD1 TYR 78 HD1 TYR 78 12.365 4.248 -7.504 544 HD2 TYR 78 HD2 TYR 78 11.764 7.380 -4.684 545 HE1 TYR 78 HE1 TYR 78 9.970 3.704 -7.420 546 HE2 TYR 78 HE2 TYR 78 9.366 6.843 -4.595 547 HH TYR 78 HH TYR 78 7.882 4.656 -6.817 548 H HIS 79 HN HIS 79 15.065 7.809 -4.701 549 HA HIS 79 HA HIS 79 14.721 9.242 -2.958 550 1HB HIS 79 HB2 HIS 79 15.678 10.858 -5.284 551 2HB HIS 79 HB1 HIS 79 15.451 11.604 -3.702 552 HD2 HIS 79 HD2 HIS 79 16.767 8.045 -3.365 553 HE1 HIS 79 HE1 HIS 79 20.134 10.623 -3.127 554 HE2 HIS 79 HE2 HIS 79 19.308 8.252 -2.917 555 H ALA 80 HN ALA 80 12.305 8.830 -2.971 556 HA ALA 80 HA ALA 80 10.650 10.955 -4.015 557 1HB ALA 80 HB1 ALA 80 10.071 8.418 -3.669 558 2HB ALA 80 HB2 ALA 80 8.837 9.662 -3.474 559 3HB ALA 80 HB3 ALA 80 9.617 8.967 -2.057 560 H GLU 81 HN GLU 81 9.406 12.387 -2.759 561 HA GLU 81 HA GLU 81 10.712 13.761 -0.780 562 1HB GLU 81 HB2 GLU 81 8.181 13.875 -2.066 563 2HB GLU 81 HB1 GLU 81 7.922 14.098 -0.342 564 1HG GLU 81 HG2 GLU 81 8.221 16.226 -1.444 565 2HG GLU 81 HG1 GLU 81 9.554 15.915 -0.332 566 H ASN 82 HN ASN 82 8.617 10.960 -0.342 567 HA ASN 82 HA ASN 82 8.569 11.425 2.535 568 1HB ASN 82 HB2 ASN 82 7.028 9.459 2.585 569 2HB ASN 82 HB1 ASN 82 6.463 10.812 1.608 570 1HD2 ASN 82 1HD2 ASN 82 8.230 7.761 1.365 571 2HD2 ASN 82 2HD2 ASN 82 7.612 7.324 -0.186 572 H LEU 83 HN LEU 83 9.965 9.039 0.294 573 HA LEU 83 HA LEU 83 11.469 8.010 2.599 574 1HB LEU 83 HB2 LEU 83 11.073 5.776 2.115 575 2HB LEU 83 HB1 LEU 83 9.511 6.545 1.968 576 HG LEU 83 HG LEU 83 9.402 5.241 0.121 577 1HD1 LEU 83 1HD1 LEU 83 9.662 6.418 -1.828 578 2HD1 LEU 83 2HD1 LEU 83 11.181 7.154 -1.318 579 3HD1 LEU 83 3HD1 LEU 83 9.656 7.713 -0.638 580 1HD2 LEU 83 1HD2 LEU 83 12.373 5.436 -0.255 581 2HD2 LEU 83 2HD2 LEU 83 11.259 4.382 -1.101 582 3HD2 LEU 83 3HD2 LEU 83 11.536 4.151 0.617 583 H LYS 84 HN LYS 84 12.052 9.721 0.157 584 HA LYS 84 HA LYS 84 13.562 8.740 -1.789 585 1HB LYS 84 HB2 LYS 84 15.153 10.652 -1.506 586 2HB LYS 84 HB1 LYS 84 13.458 11.109 -1.491 587 1HG LYS 84 HG2 LYS 84 13.472 11.617 0.754 588 2HG LYS 84 HG1 LYS 84 14.859 10.578 1.086 589 1HD LYS 84 HD2 LYS 84 15.911 12.593 1.175 590 2HD LYS 84 HD1 LYS 84 16.040 12.302 -0.561 591 1HE LYS 84 HE2 LYS 84 13.550 13.503 -0.220 592 2HE LYS 84 HE1 LYS 84 14.626 14.383 0.865 593 1HZ LYS 84 HZ1 LYS 84 15.114 15.529 -0.981 594 2HZ LYS 84 HZ2 LYS 84 14.568 14.316 -2.026 595 3HZ LYS 84 HZ3 LYS 84 16.117 14.217 -1.353 596 H GLY 85 HN GLY 85 15.220 7.433 -2.114 597 1HA GLY 85 HA2 GLY 85 16.919 5.949 -1.660 598 2HA GLY 85 HA1 GLY 85 17.629 7.316 -0.821 599 H LYS 86 HN LYS 86 14.891 5.125 -0.146 600 HA LYS 86 HA LYS 86 15.883 4.884 2.596 601 1HB LYS 86 HB2 LYS 86 13.468 5.516 2.009 602 2HB LYS 86 HB1 LYS 86 13.261 3.824 1.595 603 1HG LYS 86 HG2 LYS 86 14.379 4.546 4.255 604 2HG LYS 86 HG1 LYS 86 12.646 4.706 3.964 605 1HD LYS 86 HD2 LYS 86 14.230 2.188 3.483 606 2HD LYS 86 HD1 LYS 86 13.300 2.521 4.940 607 1HE LYS 86 HE2 LYS 86 11.585 1.553 3.904 608 2HE LYS 86 HE1 LYS 86 11.494 3.016 2.925 609 1HZ LYS 86 HZ1 LYS 86 12.873 1.985 1.265 610 2HZ LYS 86 HZ2 LYS 86 11.562 0.969 1.594 611 3HZ LYS 86 HZ3 LYS 86 13.088 0.608 2.226 612 H ALA 87 HN ALA 87 17.529 3.367 2.402 613 HA ALA 87 HA ALA 87 17.019 0.799 1.154 614 1HB ALA 87 HB1 ALA 87 19.290 2.177 1.433 615 2HB ALA 87 HB2 ALA 87 19.259 0.416 1.318 616 3HB ALA 87 HB3 ALA 87 19.388 1.193 2.894 617 H ALA 88 HN ALA 88 15.381 -0.186 2.328 618 HA ALA 88 HA ALA 88 16.065 -0.861 5.114 619 1HB ALA 88 HB1 ALA 88 13.337 -0.067 4.120 620 2HB ALA 88 HB2 ALA 88 14.411 0.916 5.115 621 3HB ALA 88 HB3 ALA 88 13.731 -0.570 5.764 622 H LYS 89 HN LYS 89 14.203 -2.373 5.919 623 HA LYS 89 HA LYS 89 13.961 -4.649 4.050 624 1HB LYS 89 HB2 LYS 89 15.138 -4.537 6.712 625 2HB LYS 89 HB1 LYS 89 13.829 -5.709 6.635 626 1HG LYS 89 HG2 LYS 89 15.764 -6.916 6.116 627 2HG LYS 89 HG1 LYS 89 14.977 -6.628 4.563 628 1HD LYS 89 HD2 LYS 89 17.026 -5.934 3.935 629 2HD LYS 89 HD1 LYS 89 16.554 -4.437 4.738 630 1HE LYS 89 HE2 LYS 89 18.191 -4.674 6.218 631 2HE LYS 89 HE1 LYS 89 17.582 -6.263 6.681 632 1HZ LYS 89 HZ1 LYS 89 19.139 -6.020 4.208 633 2HZ LYS 89 HZ2 LYS 89 19.017 -7.323 5.279 634 3HZ LYS 89 HZ3 LYS 89 19.962 -5.982 5.687 635 H PHE 90 HN PHE 90 11.923 -5.654 4.000 636 HA PHE 90 HA PHE 90 9.881 -4.614 5.847 637 1HB PHE 90 HB2 PHE 90 9.581 -4.784 2.847 638 2HB PHE 90 HB1 PHE 90 8.244 -4.550 3.962 639 HD1 PHE 90 HD1 PHE 90 8.222 -2.771 1.982 640 HD2 PHE 90 HD2 PHE 90 10.755 -2.681 5.371 641 HE1 PHE 90 HE1 PHE 90 8.436 -0.315 1.758 642 HE2 PHE 90 HE2 PHE 90 10.996 -0.245 5.161 643 HZ PHE 90 HZ PHE 90 9.828 0.944 3.346 644 H ALA 91 HN ALA 91 8.061 -6.001 6.176 645 HA ALA 91 HA ALA 91 8.249 -8.662 4.963 646 1HB ALA 91 HB1 ALA 91 8.300 -7.920 7.763 647 2HB ALA 91 HB2 ALA 91 8.509 -9.510 7.031 648 3HB ALA 91 HB3 ALA 91 6.891 -8.919 7.401 649 H ILE 92 HN ILE 92 6.705 -8.492 3.485 650 HA ILE 92 HA ILE 92 4.283 -6.981 4.080 651 HB ILE 92 HB ILE 92 5.184 -8.023 1.415 652 1HG1 ILE 92 2HG1 ILE 92 6.010 -5.530 2.884 653 2HG1 ILE 92 1HG1 ILE 92 7.020 -6.742 2.143 654 1HG2 ILE 92 1HG2 ILE 92 3.875 -5.980 0.663 655 2HG2 ILE 92 2HG2 ILE 92 3.213 -5.954 2.295 656 3HG2 ILE 92 3HG2 ILE 92 2.968 -7.365 1.264 657 1HD1 ILE 92 1HD1 ILE 92 5.899 -4.335 1.036 658 2HD1 ILE 92 2HD1 ILE 92 5.509 -5.749 0.056 659 3HD1 ILE 92 3HD1 ILE 92 7.192 -5.366 0.424 660 H ASN 93 HN ASN 93 2.288 -7.574 3.088 661 HA ASN 93 HA ASN 93 1.806 -10.434 2.751 662 1HB ASN 93 HB2 ASN 93 0.000 -8.646 4.392 663 2HB ASN 93 HB1 ASN 93 -0.177 -10.377 4.137 664 1HD2 ASN 93 1HD2 ASN 93 0.106 -8.779 6.600 665 2HD2 ASN 93 2HD2 ASN 93 1.451 -9.465 7.438 666 H LEU 94 HN LEU 94 1.276 -10.440 0.623 667 HA LEU 94 HA LEU 94 0.082 -8.291 -0.736 668 1HB LEU 94 HB2 LEU 94 1.426 -10.217 -1.700 669 2HB LEU 94 HB1 LEU 94 -0.053 -11.152 -1.634 670 HG LEU 94 HG LEU 94 -1.110 -9.386 -3.097 671 1HD1 LEU 94 1HD1 LEU 94 0.019 -7.487 -3.361 672 2HD1 LEU 94 2HD1 LEU 94 1.136 -8.381 -4.391 673 3HD1 LEU 94 3HD1 LEU 94 1.484 -8.186 -2.675 674 1HD2 LEU 94 1HD2 LEU 94 1.120 -10.397 -4.705 675 2HD2 LEU 94 2HD2 LEU 94 -0.617 -10.653 -4.880 676 3HD2 LEU 94 3HD2 LEU 94 0.306 -11.620 -3.731 677 H LYS 95 HN LYS 95 -1.994 -8.095 -1.719 678 HA LYS 95 HA LYS 95 -4.106 -9.814 -0.724 679 1HB LYS 95 HB2 LYS 95 -3.991 -6.863 -0.105 680 2HB LYS 95 HB1 LYS 95 -5.461 -7.813 0.002 681 1HG LYS 95 HG2 LYS 95 -3.416 -9.147 1.461 682 2HG LYS 95 HG1 LYS 95 -3.449 -7.456 1.951 683 1HD LYS 95 HD2 LYS 95 -6.126 -8.496 1.714 684 2HD LYS 95 HD1 LYS 95 -5.160 -9.511 2.785 685 1HE LYS 95 HE2 LYS 95 -4.650 -7.685 4.205 686 2HE LYS 95 HE1 LYS 95 -5.267 -6.515 3.040 687 1HZ LYS 95 HZ1 LYS 95 -7.228 -6.654 4.026 688 2HZ LYS 95 HZ2 LYS 95 -6.651 -7.820 5.104 689 3HZ LYS 95 HZ3 LYS 95 -7.333 -8.295 3.631 690 H LYS 96 HN LYS 96 -5.153 -6.730 -1.725 691 HA LYS 96 HA LYS 96 -6.381 -7.843 -4.033 692 1HB LYS 96 HB2 LYS 96 -6.257 -5.021 -2.991 693 2HB LYS 96 HB1 LYS 96 -7.169 -5.481 -4.420 694 1HG LYS 96 HG2 LYS 96 -8.884 -5.985 -3.124 695 2HG LYS 96 HG1 LYS 96 -7.922 -7.276 -2.397 696 1HD LYS 96 HD2 LYS 96 -7.283 -5.959 -0.596 697 2HD LYS 96 HD1 LYS 96 -7.616 -4.452 -1.455 698 1HE LYS 96 HE2 LYS 96 -9.673 -4.385 -0.620 699 2HE LYS 96 HE1 LYS 96 -10.021 -5.989 -1.263 700 1HZ LYS 96 HZ1 LYS 96 -9.097 -5.221 1.413 701 2HZ LYS 96 HZ2 LYS 96 -8.656 -6.738 0.810 702 3HZ LYS 96 HZ3 LYS 96 -10.291 -6.333 0.966 703 H VAL 97 HN VAL 97 -5.133 -8.394 -5.709 704 HA VAL 97 HA VAL 97 -3.311 -6.380 -6.829 705 HB VAL 97 HB VAL 97 -2.051 -8.325 -6.324 706 1HG1 VAL 97 1HG1 VAL 97 -3.166 -10.222 -5.939 707 2HG1 VAL 97 2HG1 VAL 97 -3.114 -10.492 -7.679 708 3HG1 VAL 97 3HG1 VAL 97 -4.519 -9.718 -6.953 709 1HG2 VAL 97 1HG2 VAL 97 -1.020 -8.369 -8.297 710 2HG2 VAL 97 2HG2 VAL 97 -2.385 -7.479 -8.965 711 3HG2 VAL 97 3HG2 VAL 97 -2.358 -9.240 -9.045 712 H GLU 98 HN GLU 98 -4.440 -5.272 -8.342 713 HA GLU 98 HA GLU 98 -5.979 -6.834 -10.314 714 1HB GLU 98 HB2 GLU 98 -6.650 -4.084 -9.261 715 2HB GLU 98 HB1 GLU 98 -7.561 -4.973 -10.477 716 1HG GLU 98 HG2 GLU 98 -8.550 -6.310 -8.951 717 2HG GLU 98 HG1 GLU 98 -7.131 -6.347 -7.903 718 H GLU 99 HN GLU 99 -6.519 -5.078 -12.243 719 HA GLU 99 HA GLU 99 -3.861 -4.170 -13.098 720 1HB GLU 99 HB2 GLU 99 -5.006 -5.968 -14.438 721 2HB GLU 99 HB1 GLU 99 -6.204 -4.763 -14.891 722 1HG GLU 99 HG2 GLU 99 -3.800 -3.535 -15.463 723 2HG GLU 99 HG1 GLU 99 -3.537 -5.214 -15.927 724 H ARG 100 HN ARG 100 -3.918 -2.140 -12.182 725 HA ARG 100 HA ARG 100 -6.011 -0.266 -12.569 726 1HB ARG 100 HB2 ARG 100 -4.449 1.373 -11.697 727 2HB ARG 100 HB1 ARG 100 -4.352 -0.105 -10.750 728 1HG ARG 100 HG2 ARG 100 -2.182 -0.267 -11.149 729 2HG ARG 100 HG1 ARG 100 -2.468 -0.242 -12.890 730 1HD ARG 100 HD2 ARG 100 -2.714 2.371 -11.588 731 2HD ARG 100 HD1 ARG 100 -1.102 1.663 -11.494 732 HE ARG 100 HE ARG 100 -1.757 1.372 -14.103 733 1HH1 ARG 100 1HH1 ARG 100 -1.754 4.092 -11.922 734 2HH1 ARG 100 2HH1 ARG 100 -1.420 5.252 -13.164 735 1HH2 ARG 100 1HH2 ARG 100 -1.325 2.892 -15.745 736 2HH2 ARG 100 2HH2 ARG 100 -1.184 4.570 -15.339 737 H GLU 101 HN GLU 101 -5.614 1.874 -13.629 738 HA GLU 101 HA GLU 101 -3.845 2.103 -15.824 739 1HB GLU 101 HB2 GLU 101 -5.353 0.448 -16.828 740 2HB GLU 101 HB1 GLU 101 -6.729 1.494 -16.501 741 1HG GLU 101 HG2 GLU 101 -6.116 3.026 -18.127 742 2HG GLU 101 HG1 GLU 101 -4.445 2.465 -18.163 743 H LEU 102 HN LEU 102 -3.945 3.884 -14.047 744 HA LEU 102 HA LEU 102 -6.023 5.828 -14.273 745 1HB LEU 102 HB2 LEU 102 -3.345 5.747 -12.928 746 2HB LEU 102 HB1 LEU 102 -4.245 7.246 -13.020 747 HG LEU 102 HG LEU 102 -6.027 6.355 -11.696 748 1HD1 LEU 102 1HD1 LEU 102 -4.780 3.758 -12.361 749 2HD1 LEU 102 2HD1 LEU 102 -6.479 4.188 -12.175 750 3HD1 LEU 102 3HD1 LEU 102 -5.475 3.917 -10.752 751 1HD2 LEU 102 1HD2 LEU 102 -4.842 5.799 -9.621 752 2HD2 LEU 102 2HD2 LEU 102 -4.096 7.158 -10.464 753 3HD2 LEU 102 3HD2 LEU 102 -3.360 5.556 -10.546 754 HA PRO 103 HA PRO 103 -4.531 7.968 -17.862 755 1HB PRO 103 HB2 PRO 103 -5.742 10.373 -17.464 756 2HB PRO 103 HB1 PRO 103 -6.606 8.937 -18.027 757 1HG PRO 103 HG2 PRO 103 -6.443 10.092 -15.271 758 2HG PRO 103 HG1 PRO 103 -7.848 9.431 -16.128 759 1HD PRO 103 HD2 PRO 103 -6.488 8.020 -14.263 760 2HD PRO 103 HD1 PRO 103 -7.265 7.250 -15.661 761 H GLU 104 HN GLU 104 -2.424 8.481 -17.883 762 HA GLU 104 HA GLU 104 -1.272 10.187 -15.851 763 1HB GLU 104 HB2 GLU 104 -0.270 8.394 -17.967 764 2HB GLU 104 HB1 GLU 104 0.729 9.808 -17.660 765 1HG GLU 104 HG2 GLU 104 -0.136 7.781 -15.610 766 2HG GLU 104 HG1 GLU 104 1.460 7.896 -16.350 767 H LEU 105 HN LEU 105 -1.382 10.275 -19.419 768 HA LEU 105 HA LEU 105 -0.851 13.146 -19.334 769 1HB LEU 105 HB2 LEU 105 -0.901 11.132 -21.574 770 2HB LEU 105 HB1 LEU 105 -0.754 12.856 -21.859 771 HG LEU 105 HG LEU 105 1.435 11.926 -21.957 772 1HD1 LEU 105 1HD1 LEU 105 2.588 13.170 -20.263 773 2HD1 LEU 105 2HD1 LEU 105 1.153 13.192 -19.239 774 3HD1 LEU 105 3HD1 LEU 105 1.164 14.084 -20.759 775 1HD2 LEU 105 1HD2 LEU 105 0.466 10.078 -20.108 776 2HD2 LEU 105 2HD2 LEU 105 1.744 10.950 -19.263 777 3HD2 LEU 105 3HD2 LEU 105 2.088 10.149 -20.795 778 H THR 106 HN THR 106 -2.382 14.632 -19.607 779 HA THR 106 HA THR 106 -5.085 13.738 -20.268 780 HB THR 106 HB THR 106 -4.357 16.517 -19.389 781 HG1 THR 106 HG1 THR 106 -3.632 15.679 -17.615 782 1HG2 THR 106 1HG2 THR 106 -6.522 16.564 -18.406 783 2HG2 THR 106 2HG2 THR 106 -6.772 14.851 -18.745 784 3HG2 THR 106 3HG2 THR 106 -6.690 16.009 -20.072 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -19.063 19.559 -3.557 2 2H GLY 1 HT2 GLY 1 -19.001 19.540 -1.867 3 3H GLY 1 HT3 GLY 1 -19.254 18.102 -2.720 4 1HA GLY 1 HA1 GLY 1 -17.097 17.776 -3.113 5 2HA GLY 1 HA2 GLY 1 -16.851 19.472 -3.500 6 H SER 2 HN SER 2 -17.689 17.513 -0.639 7 HA SER 2 HA SER 2 -15.986 19.260 0.985 8 1HB SER 2 HB2 SER 2 -17.156 17.573 2.777 9 2HB SER 2 HB1 SER 2 -17.853 19.112 2.270 10 HG SER 2 HG SER 2 -18.400 16.567 1.135 11 H HIS 3 HN HIS 3 -16.609 15.799 0.445 12 HA HIS 3 HA HIS 3 -13.777 15.245 0.807 13 1HB HIS 3 HB2 HIS 3 -15.920 13.978 2.527 14 2HB HIS 3 HB1 HIS 3 -14.259 13.401 2.423 15 HD2 HIS 3 HD2 HIS 3 -16.332 16.009 4.313 16 HE1 HIS 3 HE1 HIS 3 -12.254 16.771 5.204 17 HE2 HIS 3 HE2 HIS 3 -14.646 17.235 5.844 18 H MET 4 HN MET 4 -13.465 14.388 -1.170 19 HA MET 4 HA MET 4 -15.301 12.270 -2.068 20 1HB MET 4 HB2 MET 4 -13.803 14.389 -3.461 21 2HB MET 4 HB1 MET 4 -13.758 12.819 -4.251 22 1HG MET 4 HG2 MET 4 -16.254 14.297 -3.449 23 2HG MET 4 HG1 MET 4 -15.576 14.234 -5.075 24 1HE MET 4 HE1 MET 4 -17.435 11.990 -6.687 25 2HE MET 4 HE2 MET 4 -17.347 13.671 -6.158 26 3HE MET 4 HE3 MET 4 -18.651 12.631 -5.581 27 H GLN 5 HN GLN 5 -14.616 10.245 -1.979 28 HA GLN 5 HA GLN 5 -11.930 9.618 -1.218 29 1HB GLN 5 HB2 GLN 5 -14.475 8.206 -1.478 30 2HB GLN 5 HB1 GLN 5 -13.099 7.226 -1.965 31 1HG GLN 5 HG2 GLN 5 -13.529 6.827 0.344 32 2HG GLN 5 HG1 GLN 5 -12.028 7.744 0.212 33 1HE2 GLN 5 1HE2 GLN 5 -15.478 8.588 0.257 34 2HE2 GLN 5 2HE2 GLN 5 -15.348 9.763 1.517 35 H ALA 6 HN ALA 6 -10.754 7.803 -2.423 36 HA ALA 6 HA ALA 6 -10.369 8.699 -5.155 37 1HB ALA 6 HB1 ALA 6 -8.602 6.648 -4.809 38 2HB ALA 6 HB2 ALA 6 -8.800 7.241 -3.159 39 3HB ALA 6 HB3 ALA 6 -8.276 8.341 -4.434 40 H THR 7 HN THR 7 -10.379 7.302 -6.982 41 HA THR 7 HA THR 7 -11.892 4.802 -6.635 42 HB THR 7 HB THR 7 -13.447 6.481 -7.449 43 HG1 THR 7 HG1 THR 7 -12.672 4.861 -9.639 44 1HG2 THR 7 1HG2 THR 7 -12.858 8.129 -8.788 45 2HG2 THR 7 2HG2 THR 7 -12.502 6.971 -10.069 46 3HG2 THR 7 3HG2 THR 7 -11.240 7.446 -8.932 47 H TRP 8 HN TRP 8 -11.625 3.271 -8.418 48 HA TRP 8 HA TRP 8 -9.215 3.709 -10.026 49 1HB TRP 8 HB2 TRP 8 -9.763 1.324 -8.255 50 2HB TRP 8 HB1 TRP 8 -8.553 1.322 -9.535 51 HD1 TRP 8 HD1 TRP 8 -9.343 3.608 -6.483 52 HE1 TRP 8 HE1 TRP 8 -7.108 4.230 -5.377 53 HE3 TRP 8 HE3 TRP 8 -6.160 1.155 -9.647 54 HZ2 TRP 8 HZ2 TRP 8 -4.353 3.745 -5.787 55 HZ3 TRP 8 HZ3 TRP 8 -3.744 1.290 -9.217 56 HH2 TRP 8 HH2 TRP 8 -2.853 2.550 -7.336 57 H LYS 9 HN LYS 9 -8.957 1.664 -11.508 58 HA LYS 9 HA LYS 9 -11.574 0.831 -12.558 59 1HB LYS 9 HB2 LYS 9 -9.341 1.620 -14.410 60 2HB LYS 9 HB1 LYS 9 -11.046 1.409 -14.778 61 1HG LYS 9 HG2 LYS 9 -10.383 3.523 -12.834 62 2HG LYS 9 HG1 LYS 9 -9.875 3.794 -14.500 63 1HD LYS 9 HD2 LYS 9 -12.386 2.922 -14.916 64 2HD LYS 9 HD1 LYS 9 -12.586 3.682 -13.336 65 1HE LYS 9 HE2 LYS 9 -11.037 5.267 -15.253 66 2HE LYS 9 HE1 LYS 9 -12.708 4.978 -15.735 67 1HZ LYS 9 HZ1 LYS 9 -13.520 6.146 -13.966 68 2HZ LYS 9 HZ2 LYS 9 -12.083 6.999 -14.233 69 3HZ LYS 9 HZ3 LYS 9 -12.168 5.855 -12.988 70 H GLU 10 HN GLU 10 -8.987 -0.222 -11.143 71 HA GLU 10 HA GLU 10 -7.822 -2.093 -12.870 72 1HB GLU 10 HB2 GLU 10 -6.983 -3.158 -10.786 73 2HB GLU 10 HB1 GLU 10 -6.662 -1.440 -10.889 74 1HG GLU 10 HG2 GLU 10 -9.011 -1.410 -9.571 75 2HG GLU 10 HG1 GLU 10 -8.340 -2.936 -9.002 76 H LYS 11 HN LYS 11 -8.252 -4.130 -13.407 77 HA LYS 11 HA LYS 11 -10.878 -5.121 -13.205 78 1HB LYS 11 HB2 LYS 11 -8.386 -6.692 -13.889 79 2HB LYS 11 HB1 LYS 11 -10.038 -7.085 -14.342 80 1HG LYS 11 HG2 LYS 11 -10.098 -5.549 -16.016 81 2HG LYS 11 HG1 LYS 11 -8.963 -4.464 -15.212 82 1HD LYS 11 HD2 LYS 11 -7.717 -5.288 -16.991 83 2HD LYS 11 HD1 LYS 11 -7.228 -6.332 -15.655 84 1HE LYS 11 HE2 LYS 11 -8.008 -8.147 -16.685 85 2HE LYS 11 HE1 LYS 11 -9.561 -7.374 -17.008 86 1HZ LYS 11 HZ1 LYS 11 -8.049 -6.156 -18.808 87 2HZ LYS 11 HZ2 LYS 11 -8.862 -7.604 -19.125 88 3HZ LYS 11 HZ3 LYS 11 -7.221 -7.629 -18.718 89 H ASP 12 HN ASP 12 -10.137 -7.966 -12.683 90 HA ASP 12 HA ASP 12 -9.633 -7.859 -9.798 91 1HB ASP 12 HB2 ASP 12 -12.144 -8.024 -10.534 92 2HB ASP 12 HB1 ASP 12 -11.739 -9.708 -10.855 93 H GLY 13 HN GLY 13 -8.166 -8.783 -12.308 94 1HA GLY 13 HA2 GLY 13 -7.857 -11.631 -11.675 95 2HA GLY 13 HA1 GLY 13 -7.277 -10.831 -13.127 96 H ALA 14 HN ALA 14 -5.272 -11.986 -12.662 97 HA ALA 14 HA ALA 14 -3.752 -11.425 -10.332 98 1HB ALA 14 HB1 ALA 14 -2.745 -13.241 -11.122 99 2HB ALA 14 HB2 ALA 14 -1.953 -12.205 -12.310 100 3HB ALA 14 HB3 ALA 14 -3.464 -13.019 -12.717 101 H VAL 15 HN VAL 15 -1.246 -10.787 -11.096 102 HA VAL 15 HA VAL 15 -1.377 -7.945 -11.443 103 HB VAL 15 HB VAL 15 0.414 -8.969 -10.118 104 1HG1 VAL 15 1HG1 VAL 15 1.029 -10.300 -12.698 105 2HG1 VAL 15 2HG1 VAL 15 1.097 -10.933 -11.055 106 3HG1 VAL 15 3HG1 VAL 15 2.372 -9.865 -11.642 107 1HG2 VAL 15 1HG2 VAL 15 0.638 -6.868 -11.932 108 2HG2 VAL 15 2HG2 VAL 15 2.133 -7.788 -12.105 109 3HG2 VAL 15 3HG2 VAL 15 1.650 -7.175 -10.527 110 H GLU 16 HN GLU 16 -0.630 -6.696 -13.224 111 HA GLU 16 HA GLU 16 -0.064 -8.156 -15.678 112 1HB GLU 16 HB2 GLU 16 -2.370 -6.352 -15.219 113 2HB GLU 16 HB1 GLU 16 -1.509 -6.151 -16.733 114 1HG GLU 16 HG2 GLU 16 -1.784 -8.812 -16.727 115 2HG GLU 16 HG1 GLU 16 -3.205 -8.366 -15.784 116 H ALA 17 HN ALA 17 0.793 -6.713 -17.348 117 HA ALA 17 HA ALA 17 3.137 -5.686 -17.059 118 1HB ALA 17 HB1 ALA 17 2.372 -3.585 -18.512 119 2HB ALA 17 HB2 ALA 17 0.912 -4.565 -18.652 120 3HB ALA 17 HB3 ALA 17 2.467 -5.219 -19.170 121 H GLU 18 HN GLU 18 0.701 -3.080 -16.762 122 HA GLU 18 HA GLU 18 2.346 -1.989 -14.564 123 1HB GLU 18 HB2 GLU 18 0.697 -0.460 -16.579 124 2HB GLU 18 HB1 GLU 18 1.666 0.247 -15.293 125 1HG GLU 18 HG2 GLU 18 3.675 -0.346 -16.316 126 2HG GLU 18 HG1 GLU 18 2.893 -1.521 -17.374 127 H ASP 19 HN ASP 19 0.869 -3.418 -13.240 128 HA ASP 19 HA ASP 19 -1.794 -2.270 -12.816 129 1HB ASP 19 HB2 ASP 19 -0.487 -4.828 -11.898 130 2HB ASP 19 HB1 ASP 19 -2.091 -4.325 -11.390 131 H ARG 20 HN ARG 20 -2.391 -2.839 -10.284 132 HA ARG 20 HA ARG 20 -0.360 -1.715 -8.518 133 1HB ARG 20 HB2 ARG 20 -3.060 -0.512 -9.055 134 2HB ARG 20 HB1 ARG 20 -2.266 -0.279 -7.504 135 1HG ARG 20 HG2 ARG 20 -0.511 0.294 -9.746 136 2HG ARG 20 HG1 ARG 20 -1.967 1.284 -9.742 137 1HD ARG 20 HD2 ARG 20 -1.361 1.540 -7.186 138 2HD ARG 20 HD1 ARG 20 0.252 1.175 -7.776 139 HE ARG 20 HE ARG 20 -0.785 3.150 -9.427 140 1HH1 ARG 20 1HH1 ARG 20 0.080 2.785 -6.068 141 2HH1 ARG 20 2HH1 ARG 20 0.476 4.459 -5.861 142 1HH2 ARG 20 1HH2 ARG 20 -0.263 5.349 -9.159 143 2HH2 ARG 20 2HH2 ARG 20 0.283 5.914 -7.615 144 H VAL 21 HN VAL 21 -0.187 -3.183 -6.932 145 HA VAL 21 HA VAL 21 -2.485 -4.821 -6.172 146 HB VAL 21 HB VAL 21 -0.870 -6.152 -4.884 147 1HG1 VAL 21 1HG1 VAL 21 -1.277 -6.429 -7.410 148 2HG1 VAL 21 2HG1 VAL 21 0.109 -7.251 -6.687 149 3HG1 VAL 21 3HG1 VAL 21 0.342 -5.755 -7.595 150 1HG2 VAL 21 1HG2 VAL 21 1.598 -5.193 -5.861 151 2HG2 VAL 21 2HG2 VAL 21 1.032 -5.252 -4.192 152 3HG2 VAL 21 3HG2 VAL 21 0.741 -3.814 -5.171 153 H THR 22 HN THR 22 -2.753 -5.307 -3.798 154 HA THR 22 HA THR 22 -2.288 -2.885 -2.176 155 HB THR 22 HB THR 22 -4.565 -4.874 -1.966 156 HG1 THR 22 HG1 THR 22 -4.811 -3.408 -3.687 157 1HG2 THR 22 1HG2 THR 22 -3.519 -3.096 -0.013 158 2HG2 THR 22 2HG2 THR 22 -4.942 -4.137 0.078 159 3HG2 THR 22 3HG2 THR 22 -5.091 -2.494 -0.543 160 H ILE 23 HN ILE 23 -0.698 -3.284 -0.743 161 HA ILE 23 HA ILE 23 -0.627 -5.964 0.489 162 HB ILE 23 HB ILE 23 1.859 -5.733 0.569 163 1HG1 ILE 23 2HG1 ILE 23 1.616 -3.657 -1.574 164 2HG1 ILE 23 1HG1 ILE 23 1.614 -3.177 0.117 165 1HG2 ILE 23 1HG2 ILE 23 1.631 -5.694 -2.263 166 2HG2 ILE 23 2HG2 ILE 23 0.187 -6.460 -1.600 167 3HG2 ILE 23 3HG2 ILE 23 1.786 -7.084 -1.190 168 1HD1 ILE 23 1HD1 ILE 23 3.797 -3.715 0.418 169 2HD1 ILE 23 2HD1 ILE 23 3.831 -3.299 -1.296 170 3HD1 ILE 23 3HD1 ILE 23 3.761 -4.986 -0.797 171 H ASP 24 HN ASP 24 0.154 -6.137 2.586 172 HA ASP 24 HA ASP 24 0.364 -3.630 4.139 173 1HB ASP 24 HB2 ASP 24 -0.577 -4.917 6.062 174 2HB ASP 24 HB1 ASP 24 -1.714 -4.768 4.730 175 H PHE 25 HN PHE 25 2.343 -3.426 5.154 176 HA PHE 25 HA PHE 25 3.793 -5.884 5.832 177 1HB PHE 25 HB2 PHE 25 5.808 -5.199 4.739 178 2HB PHE 25 HB1 PHE 25 4.497 -5.137 3.565 179 HD1 PHE 25 HD1 PHE 25 4.222 -3.262 2.272 180 HD2 PHE 25 HD2 PHE 25 6.372 -2.937 5.935 181 HE1 PHE 25 HE1 PHE 25 4.776 -0.931 1.749 182 HE2 PHE 25 HE2 PHE 25 6.931 -0.602 5.399 183 HZ PHE 25 HZ PHE 25 6.117 0.402 3.300 184 H THR 26 HN THR 26 5.854 -5.430 7.005 185 HA THR 26 HA THR 26 5.941 -2.949 8.522 186 HB THR 26 HB THR 26 5.648 -5.592 9.959 187 HG1 THR 26 HG1 THR 26 3.706 -3.571 10.040 188 1HG2 THR 26 1HG2 THR 26 5.245 -4.174 11.935 189 2HG2 THR 26 2HG2 THR 26 5.682 -2.762 10.972 190 3HG2 THR 26 3HG2 THR 26 6.876 -4.021 11.284 191 H GLY 27 HN GLY 27 8.044 -2.372 8.528 192 1HA GLY 27 HA2 GLY 27 10.071 -4.235 9.390 193 2HA GLY 27 HA1 GLY 27 10.186 -3.845 7.688 194 H SER 28 HN SER 28 12.327 -3.301 9.065 195 HA SER 28 HA SER 28 12.242 -0.425 9.721 196 1HB SER 28 HB2 SER 28 14.694 -1.254 10.602 197 2HB SER 28 HB1 SER 28 13.243 -1.203 11.607 198 HG SER 28 HG SER 28 13.088 -3.324 11.530 199 H VAL 29 HN VAL 29 14.467 0.622 9.339 200 HA VAL 29 HA VAL 29 15.318 -0.022 6.626 201 HB VAL 29 HB VAL 29 14.410 2.119 6.501 202 1HG1 VAL 29 1HG1 VAL 29 15.093 2.318 9.250 203 2HG1 VAL 29 2HG1 VAL 29 14.036 3.348 8.293 204 3HG1 VAL 29 3HG1 VAL 29 15.755 3.717 8.406 205 1HG2 VAL 29 1HG2 VAL 29 17.229 1.846 6.235 206 2HG2 VAL 29 2HG2 VAL 29 16.876 3.471 6.820 207 3HG2 VAL 29 3HG2 VAL 29 16.125 2.884 5.337 208 H ASP 30 HN ASP 30 16.972 1.941 9.097 209 HA ASP 30 HA ASP 30 19.374 0.368 8.582 210 1HB ASP 30 HB2 ASP 30 18.817 3.127 9.448 211 2HB ASP 30 HB1 ASP 30 20.151 2.358 10.301 212 H GLY 31 HN GLY 31 17.396 -0.969 10.003 213 1HA GLY 31 HA2 GLY 31 17.686 -2.501 11.791 214 2HA GLY 31 HA1 GLY 31 18.769 -1.352 12.566 215 H GLU 32 HN GLU 32 16.482 0.646 11.664 216 HA GLU 32 HA GLU 32 14.654 0.070 13.889 217 1HB GLU 32 HB2 GLU 32 15.719 2.821 13.249 218 2HB GLU 32 HB1 GLU 32 14.716 2.357 14.617 219 1HG GLU 32 HG2 GLU 32 16.455 1.502 15.785 220 2HG GLU 32 HG1 GLU 32 17.315 0.976 14.338 221 H GLU 33 HN GLU 33 12.587 0.179 13.335 222 HA GLU 33 HA GLU 33 11.760 0.732 10.702 223 1HB GLU 33 HB2 GLU 33 9.991 0.551 13.138 224 2HB GLU 33 HB1 GLU 33 9.546 0.232 11.467 225 1HG GLU 33 HG2 GLU 33 11.107 -1.691 11.472 226 2HG GLU 33 HG1 GLU 33 11.394 -1.404 13.186 227 H PHE 34 HN PHE 34 11.573 2.681 9.813 228 HA PHE 34 HA PHE 34 11.344 5.034 11.409 229 1HB PHE 34 HB2 PHE 34 11.776 6.209 9.377 230 2HB PHE 34 HB1 PHE 34 12.842 4.815 9.435 231 HD1 PHE 34 HD1 PHE 34 11.194 6.724 7.240 232 HD2 PHE 34 HD2 PHE 34 11.380 2.617 8.345 233 HE1 PHE 34 HE1 PHE 34 10.440 6.081 4.988 234 HE2 PHE 34 HE2 PHE 34 10.622 1.976 6.101 235 HZ PHE 34 HZ PHE 34 10.152 3.706 4.418 236 H GLU 35 HN GLU 35 9.879 6.170 8.938 237 HA GLU 35 HA GLU 35 7.330 6.385 10.181 238 1HB GLU 35 HB2 GLU 35 8.177 7.185 7.389 239 2HB GLU 35 HB1 GLU 35 6.710 7.700 8.208 240 1HG GLU 35 HG2 GLU 35 8.907 8.325 9.883 241 2HG GLU 35 HG1 GLU 35 9.282 8.883 8.255 242 H GLY 36 HN GLY 36 8.384 4.973 7.083 243 1HA GLY 36 HA2 GLY 36 5.842 3.663 6.697 244 2HA GLY 36 HA1 GLY 36 7.246 3.550 5.648 245 H GLY 37 HN GLY 37 7.955 2.930 8.921 246 1HA GLY 37 HA2 GLY 37 8.838 0.334 8.454 247 2HA GLY 37 HA1 GLY 37 8.523 1.021 10.038 248 H LYS 38 HN LYS 38 5.635 1.391 8.740 249 HA LYS 38 HA LYS 38 4.733 -1.358 8.840 250 1HB LYS 38 HB2 LYS 38 3.047 -0.889 10.592 251 2HB LYS 38 HB1 LYS 38 4.697 -0.796 11.187 252 1HG LYS 38 HG2 LYS 38 4.511 1.361 11.732 253 2HG LYS 38 HG1 LYS 38 3.632 1.760 10.254 254 1HD LYS 38 HD2 LYS 38 1.991 0.127 11.950 255 2HD LYS 38 HD1 LYS 38 2.603 1.508 12.863 256 1HE LYS 38 HE2 LYS 38 1.804 2.999 11.054 257 2HE LYS 38 HE1 LYS 38 1.108 1.595 10.245 258 1HZ LYS 38 HZ1 LYS 38 0.335 1.915 13.015 259 2HZ LYS 38 HZ2 LYS 38 -0.605 1.525 11.665 260 3HZ LYS 38 HZ3 LYS 38 -0.214 3.138 11.983 261 H ALA 39 HN ALA 39 3.326 -1.626 7.287 262 HA ALA 39 HA ALA 39 1.478 0.549 6.598 263 1HB ALA 39 HB1 ALA 39 1.832 -0.499 4.165 264 2HB ALA 39 HB2 ALA 39 3.439 -0.807 4.833 265 3HB ALA 39 HB3 ALA 39 2.807 0.840 4.776 266 H SER 40 HN SER 40 -0.551 -0.109 5.924 267 HA SER 40 HA SER 40 -1.090 -2.991 6.199 268 1HB SER 40 HB2 SER 40 -3.479 -2.108 6.769 269 2HB SER 40 HB1 SER 40 -2.222 -2.042 8.004 270 HG SER 40 HG SER 40 -3.541 -0.070 7.595 271 H ASP 41 HN ASP 41 -2.431 -0.042 4.674 272 HA ASP 41 HA ASP 41 -3.342 -1.678 2.445 273 1HB ASP 41 HB2 ASP 41 -4.156 1.130 3.246 274 2HB ASP 41 HB1 ASP 41 -4.799 0.222 1.881 275 H PHE 42 HN PHE 42 -0.954 -1.681 1.892 276 HA PHE 42 HA PHE 42 -0.012 0.877 0.849 277 1HB PHE 42 HB2 PHE 42 1.484 -0.722 2.184 278 2HB PHE 42 HB1 PHE 42 1.495 -1.731 0.747 279 HD1 PHE 42 HD1 PHE 42 3.666 -1.596 -0.107 280 HD2 PHE 42 HD2 PHE 42 1.643 1.965 1.068 281 HE1 PHE 42 HE1 PHE 42 5.501 -0.249 -1.032 282 HE2 PHE 42 HE2 PHE 42 3.482 3.314 0.151 283 HZ PHE 42 HZ PHE 42 5.414 2.208 -0.900 284 H VAL 43 HN VAL 43 -0.843 1.373 -1.073 285 HA VAL 43 HA VAL 43 -1.479 -0.693 -2.993 286 HB VAL 43 HB VAL 43 -1.685 2.308 -3.263 287 1HG1 VAL 43 1HG1 VAL 43 -1.784 0.448 -5.259 288 2HG1 VAL 43 2HG1 VAL 43 -2.582 2.020 -5.302 289 3HG1 VAL 43 3HG1 VAL 43 -3.484 0.587 -4.809 290 1HG2 VAL 43 1HG2 VAL 43 -4.178 1.724 -2.918 291 2HG2 VAL 43 2HG2 VAL 43 -3.122 1.815 -1.510 292 3HG2 VAL 43 3HG2 VAL 43 -3.564 0.245 -2.180 293 H LEU 44 HN LEU 44 0.373 -1.556 -3.768 294 HA LEU 44 HA LEU 44 2.521 0.167 -4.680 295 1HB LEU 44 HB2 LEU 44 2.380 -2.445 -3.684 296 2HB LEU 44 HB1 LEU 44 2.826 -2.628 -5.369 297 HG LEU 44 HG LEU 44 4.312 -1.101 -3.239 298 1HD1 LEU 44 1HD1 LEU 44 6.136 -2.673 -4.239 299 2HD1 LEU 44 2HD1 LEU 44 4.749 -3.630 -4.757 300 3HD1 LEU 44 3HD1 LEU 44 4.992 -3.283 -3.044 301 1HD2 LEU 44 1HD2 LEU 44 4.512 -0.991 -6.216 302 2HD2 LEU 44 2HD2 LEU 44 5.964 -0.810 -5.231 303 3HD2 LEU 44 3HD2 LEU 44 4.618 0.313 -5.034 304 H ALA 45 HN ALA 45 3.116 0.480 -6.756 305 HA ALA 45 HA ALA 45 1.142 -0.274 -8.791 306 1HB ALA 45 HB1 ALA 45 1.712 2.133 -8.449 307 2HB ALA 45 HB2 ALA 45 1.959 1.552 -10.095 308 3HB ALA 45 HB3 ALA 45 3.340 1.774 -9.020 309 H MET 46 HN MET 46 1.701 -2.200 -9.677 310 HA MET 46 HA MET 46 4.372 -3.104 -9.925 311 1HB MET 46 HB2 MET 46 1.729 -4.135 -10.445 312 2HB MET 46 HB1 MET 46 2.828 -4.555 -11.753 313 1HG MET 46 HG2 MET 46 3.843 -4.940 -9.013 314 2HG MET 46 HG1 MET 46 2.550 -6.016 -9.531 315 1HE MET 46 HE1 MET 46 6.746 -5.605 -11.267 316 2HE MET 46 HE2 MET 46 6.515 -5.855 -9.537 317 3HE MET 46 HE3 MET 46 5.838 -4.426 -10.320 318 H GLY 47 HN GLY 47 5.305 -1.264 -10.941 319 1HA GLY 47 HA2 GLY 47 6.533 -0.890 -12.975 320 2HA GLY 47 HA1 GLY 47 5.134 -1.453 -13.878 321 H GLN 48 HN GLN 48 6.117 1.139 -11.656 322 HA GLN 48 HA GLN 48 4.557 3.018 -13.303 323 1HB GLN 48 HB2 GLN 48 3.794 2.373 -10.827 324 2HB GLN 48 HB1 GLN 48 4.970 3.612 -10.415 325 1HG GLN 48 HG2 GLN 48 3.233 4.496 -12.537 326 2HG GLN 48 HG1 GLN 48 2.309 3.977 -11.129 327 1HE2 GLN 48 1HE2 GLN 48 3.568 4.742 -9.008 328 2HE2 GLN 48 2HE2 GLN 48 3.899 6.437 -8.989 329 H GLY 49 HN GLY 49 6.902 3.159 -10.622 330 1HA GLY 49 HA2 GLY 49 8.348 5.249 -12.096 331 2HA GLY 49 HA1 GLY 49 8.491 4.921 -10.375 332 H ARG 50 HN ARG 50 9.072 2.352 -10.153 333 HA ARG 50 HA ARG 50 10.786 1.136 -11.953 334 1HB ARG 50 HB2 ARG 50 13.006 1.669 -11.056 335 2HB ARG 50 HB1 ARG 50 12.226 3.093 -11.726 336 1HG ARG 50 HG2 ARG 50 12.152 4.146 -9.745 337 2HG ARG 50 HG1 ARG 50 11.788 2.671 -8.850 338 1HD ARG 50 HD2 ARG 50 14.095 3.887 -8.555 339 2HD ARG 50 HD1 ARG 50 13.999 2.127 -8.575 340 HE ARG 50 HE ARG 50 15.307 2.169 -10.435 341 1HH1 ARG 50 1HH1 ARG 50 13.658 5.236 -10.206 342 2HH1 ARG 50 2HH1 ARG 50 14.391 5.878 -11.635 343 1HH2 ARG 50 1HH2 ARG 50 16.271 3.015 -12.318 344 2HH2 ARG 50 2HH2 ARG 50 15.873 4.619 -12.834 345 H MET 51 HN MET 51 9.221 -0.302 -10.723 346 HA MET 51 HA MET 51 9.429 -0.997 -8.072 347 1HB MET 51 HB2 MET 51 7.938 -1.914 -10.068 348 2HB MET 51 HB1 MET 51 9.133 -3.204 -10.056 349 1HG MET 51 HG2 MET 51 7.787 -4.147 -8.548 350 2HG MET 51 HG1 MET 51 8.530 -3.018 -7.417 351 1HE MET 51 HE1 MET 51 7.492 -0.382 -8.586 352 2HE MET 51 HE2 MET 51 7.194 -0.471 -6.849 353 3HE MET 51 HE3 MET 51 5.887 -0.023 -7.945 354 H ILE 52 HN ILE 52 11.193 -1.449 -6.942 355 HA ILE 52 HA ILE 52 13.604 -2.413 -8.098 356 HB ILE 52 HB ILE 52 14.057 -2.913 -5.494 357 1HG1 ILE 52 2HG1 ILE 52 12.004 -0.690 -5.441 358 2HG1 ILE 52 1HG1 ILE 52 11.704 -2.329 -4.876 359 1HG2 ILE 52 1HG2 ILE 52 15.319 -1.407 -6.931 360 2HG2 ILE 52 2HG2 ILE 52 15.015 -0.677 -5.355 361 3HG2 ILE 52 3HG2 ILE 52 14.068 -0.176 -6.756 362 1HD1 ILE 52 1HD1 ILE 52 14.033 -0.907 -3.737 363 2HD1 ILE 52 2HD1 ILE 52 12.907 -2.036 -2.983 364 3HD1 ILE 52 3HD1 ILE 52 12.426 -0.361 -3.258 365 HA PRO 53 HA PRO 53 13.290 -6.796 -7.946 366 1HB PRO 53 HB2 PRO 53 15.492 -7.569 -6.482 367 2HB PRO 53 HB1 PRO 53 15.538 -7.114 -8.188 368 1HG PRO 53 HG2 PRO 53 16.191 -5.475 -5.770 369 2HG PRO 53 HG1 PRO 53 17.035 -5.560 -7.329 370 1HD PRO 53 HD2 PRO 53 15.404 -3.519 -6.735 371 2HD PRO 53 HD1 PRO 53 15.488 -4.182 -8.381 372 H GLY 54 HN GLY 54 13.449 -5.000 -5.009 373 1HA GLY 54 HA2 GLY 54 12.952 -7.170 -3.210 374 2HA GLY 54 HA1 GLY 54 12.794 -5.455 -2.858 375 H PHE 55 HN PHE 55 10.856 -4.424 -4.112 376 HA PHE 55 HA PHE 55 8.520 -5.681 -3.131 377 1HB PHE 55 HB2 PHE 55 9.046 -3.297 -4.883 378 2HB PHE 55 HB1 PHE 55 7.407 -3.903 -4.714 379 HD1 PHE 55 HD1 PHE 55 6.725 -4.319 -2.131 380 HD2 PHE 55 HD2 PHE 55 9.667 -1.579 -3.522 381 HE1 PHE 55 HE1 PHE 55 6.457 -3.004 -0.085 382 HE2 PHE 55 HE2 PHE 55 9.398 -0.251 -1.466 383 HZ PHE 55 HZ PHE 55 7.794 -0.967 0.258 384 H GLU 56 HN GLU 56 9.824 -5.209 -6.392 385 HA GLU 56 HA GLU 56 7.846 -6.446 -7.880 386 1HB GLU 56 HB2 GLU 56 9.968 -5.201 -8.649 387 2HB GLU 56 HB1 GLU 56 10.771 -6.760 -8.517 388 1HG GLU 56 HG2 GLU 56 8.258 -6.622 -10.088 389 2HG GLU 56 HG1 GLU 56 9.714 -5.909 -10.780 390 H ASP 57 HN ASP 57 10.150 -7.834 -5.719 391 HA ASP 57 HA ASP 57 10.158 -10.474 -6.765 392 1HB ASP 57 HB2 ASP 57 11.337 -9.083 -4.549 393 2HB ASP 57 HB1 ASP 57 10.612 -10.576 -3.970 394 H GLY 58 HN GLY 58 8.864 -9.546 -3.567 395 1HA GLY 58 HA2 GLY 58 7.021 -11.727 -3.612 396 2HA GLY 58 HA1 GLY 58 7.136 -10.483 -2.379 397 H ILE 59 HN ILE 59 6.555 -8.202 -3.728 398 HA ILE 59 HA ILE 59 3.733 -8.414 -4.080 399 HB ILE 59 HB ILE 59 5.543 -6.023 -4.518 400 1HG1 ILE 59 2HG1 ILE 59 4.738 -5.584 -2.074 401 2HG1 ILE 59 1HG1 ILE 59 4.525 -7.312 -2.015 402 1HG2 ILE 59 1HG2 ILE 59 2.630 -6.440 -4.345 403 2HG2 ILE 59 2HG2 ILE 59 3.554 -5.199 -5.191 404 3HG2 ILE 59 3HG2 ILE 59 3.264 -5.053 -3.457 405 1HD1 ILE 59 1HD1 ILE 59 6.722 -7.673 -1.859 406 2HD1 ILE 59 2HD1 ILE 59 6.798 -5.979 -1.386 407 3HD1 ILE 59 3HD1 ILE 59 7.099 -6.441 -3.053 408 H LYS 60 HN LYS 60 5.191 -9.821 -5.916 409 HA LYS 60 HA LYS 60 5.440 -8.650 -8.481 410 1HB LYS 60 HB2 LYS 60 4.404 -11.117 -9.132 411 2HB LYS 60 HB1 LYS 60 6.106 -10.780 -8.867 412 1HG LYS 60 HG2 LYS 60 5.802 -11.445 -6.490 413 2HG LYS 60 HG1 LYS 60 4.150 -11.921 -6.886 414 1HD LYS 60 HD2 LYS 60 4.824 -13.825 -7.866 415 2HD LYS 60 HD1 LYS 60 6.148 -13.022 -8.710 416 1HE LYS 60 HE2 LYS 60 6.654 -13.176 -5.869 417 2HE LYS 60 HE1 LYS 60 6.345 -14.772 -6.550 418 1HZ LYS 60 HZ1 LYS 60 8.729 -13.588 -6.581 419 2HZ LYS 60 HZ2 LYS 60 8.136 -13.082 -8.082 420 3HZ LYS 60 HZ3 LYS 60 8.242 -14.732 -7.729 421 H GLY 61 HN GLY 61 2.762 -10.281 -6.935 422 1HA GLY 61 HA2 GLY 61 0.544 -9.226 -6.855 423 2HA GLY 61 HA1 GLY 61 0.846 -8.670 -8.497 424 H HIS 62 HN HIS 62 1.375 -11.741 -6.887 425 HA HIS 62 HA HIS 62 -0.392 -13.025 -8.885 426 1HB HIS 62 HB2 HIS 62 1.089 -14.896 -9.059 427 2HB HIS 62 HB1 HIS 62 2.042 -13.438 -9.297 428 HD2 HIS 62 HD2 HIS 62 2.381 -12.968 -5.913 429 HE1 HIS 62 HE1 HIS 62 4.582 -16.573 -6.296 430 HE2 HIS 62 HE2 HIS 62 4.136 -14.549 -4.866 431 H LYS 63 HN LYS 63 0.444 -12.752 -5.545 432 HA LYS 63 HA LYS 63 -1.409 -14.961 -4.931 433 1HB LYS 63 HB2 LYS 63 1.023 -13.966 -3.476 434 2HB LYS 63 HB1 LYS 63 -0.224 -14.882 -2.642 435 1HG LYS 63 HG2 LYS 63 0.772 -16.059 -5.150 436 2HG LYS 63 HG1 LYS 63 1.918 -15.994 -3.810 437 1HD LYS 63 HD2 LYS 63 0.881 -17.652 -2.735 438 2HD LYS 63 HD1 LYS 63 -0.695 -16.884 -2.935 439 1HE LYS 63 HE2 LYS 63 -0.822 -17.791 -5.220 440 2HE LYS 63 HE1 LYS 63 0.730 -18.589 -4.975 441 1HZ LYS 63 HZ1 LYS 63 -1.232 -19.166 -2.940 442 2HZ LYS 63 HZ2 LYS 63 -0.210 -20.215 -3.787 443 3HZ LYS 63 HZ3 LYS 63 -1.666 -19.708 -4.483 444 H ALA 64 HN ALA 64 -3.226 -13.548 -5.074 445 HA ALA 64 HA ALA 64 -3.521 -11.173 -3.620 446 1HB ALA 64 HB1 ALA 64 -5.311 -13.059 -5.002 447 2HB ALA 64 HB2 ALA 64 -5.228 -11.300 -5.090 448 3HB ALA 64 HB3 ALA 64 -6.062 -12.075 -3.743 449 H GLY 65 HN GLY 65 -2.888 -11.264 -1.486 450 1HA GLY 65 HA2 GLY 65 -3.741 -11.443 0.747 451 2HA GLY 65 HA1 GLY 65 -4.594 -12.901 0.265 452 H GLU 66 HN GLU 66 -1.211 -12.096 -0.351 453 HA GLU 66 HA GLU 66 -0.429 -14.582 0.978 454 1HB GLU 66 HB2 GLU 66 0.295 -13.488 -1.422 455 2HB GLU 66 HB1 GLU 66 1.638 -13.011 -0.395 456 1HG GLU 66 HG2 GLU 66 1.653 -15.503 0.313 457 2HG GLU 66 HG1 GLU 66 0.731 -15.745 -1.170 458 H GLU 67 HN GLU 67 1.696 -14.571 2.112 459 HA GLU 67 HA GLU 67 2.279 -12.082 3.545 460 1HB GLU 67 HB2 GLU 67 2.543 -13.471 5.656 461 2HB GLU 67 HB1 GLU 67 0.892 -13.206 5.116 462 1HG GLU 67 HG2 GLU 67 1.264 -15.504 3.900 463 2HG GLU 67 HG1 GLU 67 2.503 -15.702 5.139 464 H PHE 68 HN PHE 68 4.274 -11.715 2.691 465 HA PHE 68 HA PHE 68 6.294 -13.836 3.066 466 1HB PHE 68 HB2 PHE 68 7.301 -13.100 0.879 467 2HB PHE 68 HB1 PHE 68 5.738 -13.910 0.738 468 HD1 PHE 68 HD1 PHE 68 3.828 -12.777 -0.049 469 HD2 PHE 68 HD2 PHE 68 7.452 -10.667 0.637 470 HE1 PHE 68 HE1 PHE 68 2.899 -10.824 -1.200 471 HE2 PHE 68 HE2 PHE 68 6.528 -8.698 -0.523 472 HZ PHE 68 HZ PHE 68 4.243 -8.782 -1.444 473 H THR 69 HN THR 69 8.562 -12.970 2.835 474 HA THR 69 HA THR 69 8.745 -10.220 3.863 475 HB THR 69 HB THR 69 10.491 -12.536 4.711 476 HG1 THR 69 HG1 THR 69 8.033 -11.903 5.528 477 1HG2 THR 69 1HG2 THR 69 11.379 -11.135 6.382 478 2HG2 THR 69 2HG2 THR 69 10.211 -9.860 6.036 479 3HG2 THR 69 3HG2 THR 69 11.478 -10.236 4.867 480 H ILE 70 HN ILE 70 9.804 -8.959 2.468 481 HA ILE 70 HA ILE 70 12.128 -10.085 1.052 482 HB ILE 70 HB ILE 70 11.579 -9.012 -0.989 483 1HG1 ILE 70 2HG1 ILE 70 10.638 -6.931 -0.010 484 2HG1 ILE 70 1HG1 ILE 70 9.659 -7.570 -1.324 485 1HG2 ILE 70 1HG2 ILE 70 10.429 -10.911 -1.267 486 2HG2 ILE 70 2HG2 ILE 70 9.012 -9.869 -1.149 487 3HG2 ILE 70 3HG2 ILE 70 9.581 -10.747 0.270 488 1HD1 ILE 70 1HD1 ILE 70 8.424 -8.731 0.741 489 2HD1 ILE 70 2HD1 ILE 70 7.995 -7.134 0.118 490 3HD1 ILE 70 3HD1 ILE 70 9.037 -7.279 1.541 491 H ASP 71 HN ASP 71 13.577 -8.347 0.156 492 HA ASP 71 HA ASP 71 13.845 -6.208 2.137 493 1HB ASP 71 HB2 ASP 71 15.789 -7.753 1.602 494 2HB ASP 71 HB1 ASP 71 15.829 -7.021 0.001 495 H VAL 72 HN VAL 72 14.158 -4.010 1.424 496 HA VAL 72 HA VAL 72 13.700 -3.446 -1.383 497 HB VAL 72 HB VAL 72 11.801 -2.628 0.753 498 1HG1 VAL 72 1HG1 VAL 72 11.255 -1.356 -1.780 499 2HG1 VAL 72 2HG1 VAL 72 12.782 -0.812 -1.092 500 3HG1 VAL 72 3HG1 VAL 72 11.294 -0.664 -0.160 501 1HG2 VAL 72 1HG2 VAL 72 11.224 -3.589 -2.022 502 2HG2 VAL 72 2HG2 VAL 72 10.112 -3.487 -0.656 503 3HG2 VAL 72 3HG2 VAL 72 11.419 -4.673 -0.644 504 H THR 73 HN THR 73 14.895 -1.699 -2.042 505 HA THR 73 HA THR 73 15.654 0.321 -0.106 506 HB THR 73 HB THR 73 17.581 -1.500 -1.546 507 HG1 THR 73 HG1 THR 73 17.410 -2.142 0.490 508 1HG2 THR 73 1HG2 THR 73 18.799 0.295 -2.107 509 2HG2 THR 73 2HG2 THR 73 19.249 0.272 -0.402 510 3HG2 THR 73 3HG2 THR 73 17.970 1.351 -0.962 511 H PHE 74 HN PHE 74 15.373 2.261 -1.070 512 HA PHE 74 HA PHE 74 14.849 2.322 -3.903 513 1HB PHE 74 HB2 PHE 74 14.653 4.380 -1.722 514 2HB PHE 74 HB1 PHE 74 14.315 4.741 -3.412 515 HD1 PHE 74 HD1 PHE 74 13.431 1.997 -1.021 516 HD2 PHE 74 HD2 PHE 74 12.103 4.815 -3.906 517 HE1 PHE 74 HE1 PHE 74 11.129 1.169 -0.760 518 HE2 PHE 74 HE2 PHE 74 9.793 4.000 -3.655 519 HZ PHE 74 HZ PHE 74 9.303 2.176 -2.076 520 HA PRO 75 HA PRO 75 18.973 3.515 -5.027 521 1HB PRO 75 HB2 PRO 75 18.428 4.420 -7.534 522 2HB PRO 75 HB1 PRO 75 18.524 2.705 -7.122 523 1HG PRO 75 HG2 PRO 75 16.110 4.450 -7.423 524 2HG PRO 75 HG1 PRO 75 16.374 2.795 -8.003 525 1HD PRO 75 HD2 PRO 75 14.952 3.323 -5.777 526 2HD PRO 75 HD1 PRO 75 15.957 1.868 -5.930 527 H GLU 76 HN GLU 76 20.014 5.457 -6.205 528 HA GLU 76 HA GLU 76 19.340 7.810 -4.721 529 1HB GLU 76 HB2 GLU 76 21.656 6.841 -5.729 530 2HB GLU 76 HB1 GLU 76 21.252 8.020 -6.970 531 1HG GLU 76 HG2 GLU 76 21.281 9.802 -5.415 532 2HG GLU 76 HG1 GLU 76 21.340 8.694 -4.044 533 H GLU 77 HN GLU 77 18.351 6.542 -7.710 534 HA GLU 77 HA GLU 77 17.804 9.116 -8.919 535 1HB GLU 77 HB2 GLU 77 16.696 7.641 -10.699 536 2HB GLU 77 HB1 GLU 77 18.439 7.531 -10.512 537 1HG GLU 77 HG2 GLU 77 17.216 5.610 -8.803 538 2HG GLU 77 HG1 GLU 77 16.526 5.470 -10.414 539 H TYR 78 HN TYR 78 16.049 6.595 -7.207 540 HA TYR 78 HA TYR 78 13.429 7.458 -7.834 541 1HB TYR 78 HB2 TYR 78 14.211 5.276 -6.652 542 2HB TYR 78 HB1 TYR 78 14.157 6.233 -5.178 543 HD1 TYR 78 HD1 TYR 78 12.311 4.216 -7.412 544 HD2 TYR 78 HD2 TYR 78 11.897 7.435 -4.657 545 HE1 TYR 78 HE1 TYR 78 9.900 3.755 -7.245 546 HE2 TYR 78 HE2 TYR 78 9.487 6.986 -4.488 547 HH TYR 78 HH TYR 78 7.923 5.147 -4.842 548 H HIS 79 HN HIS 79 15.102 7.811 -4.740 549 HA HIS 79 HA HIS 79 14.726 9.273 -3.030 550 1HB HIS 79 HB2 HIS 79 15.732 10.810 -5.380 551 2HB HIS 79 HB1 HIS 79 15.433 11.636 -3.851 552 HD2 HIS 79 HD2 HIS 79 16.763 8.097 -3.333 553 HE1 HIS 79 HE1 HIS 79 20.075 10.730 -2.960 554 HE2 HIS 79 HE2 HIS 79 19.265 8.355 -2.720 555 H ALA 80 HN ALA 80 12.374 8.910 -2.913 556 HA ALA 80 HA ALA 80 10.674 10.973 -4.036 557 1HB ALA 80 HB1 ALA 80 9.132 9.518 -2.260 558 2HB ALA 80 HB2 ALA 80 10.293 8.341 -2.877 559 3HB ALA 80 HB3 ALA 80 9.271 9.239 -3.997 560 H GLU 81 HN GLU 81 9.570 12.513 -2.847 561 HA GLU 81 HA GLU 81 10.883 13.840 -0.856 562 1HB GLU 81 HB2 GLU 81 8.575 14.224 -2.290 563 2HB GLU 81 HB1 GLU 81 7.980 14.108 -0.639 564 1HG GLU 81 HG2 GLU 81 9.714 15.836 -0.026 565 2HG GLU 81 HG1 GLU 81 9.963 16.063 -1.757 566 H ASN 82 HN ASN 82 8.715 11.106 -0.415 567 HA ASN 82 HA ASN 82 8.612 11.610 2.453 568 1HB ASN 82 HB2 ASN 82 7.057 9.627 2.464 569 2HB ASN 82 HB1 ASN 82 6.514 11.026 1.543 570 1HD2 ASN 82 1HD2 ASN 82 8.196 7.944 1.197 571 2HD2 ASN 82 2HD2 ASN 82 7.599 7.591 -0.384 572 H LEU 83 HN LEU 83 9.988 9.157 0.269 573 HA LEU 83 HA LEU 83 11.457 8.136 2.604 574 1HB LEU 83 HB2 LEU 83 10.979 5.914 2.204 575 2HB LEU 83 HB1 LEU 83 9.448 6.711 1.938 576 HG LEU 83 HG LEU 83 9.429 5.282 0.172 577 1HD1 LEU 83 1HD1 LEU 83 11.191 7.043 -1.409 578 2HD1 LEU 83 2HD1 LEU 83 9.803 7.798 -0.626 579 3HD1 LEU 83 3HD1 LEU 83 9.561 6.457 -1.738 580 1HD2 LEU 83 1HD2 LEU 83 11.242 4.253 -0.827 581 2HD2 LEU 83 2HD2 LEU 83 11.716 4.421 0.856 582 3HD2 LEU 83 3HD2 LEU 83 12.358 5.524 -0.362 583 H LYS 84 HN LYS 84 12.066 9.781 0.103 584 HA LYS 84 HA LYS 84 13.566 8.721 -1.801 585 1HB LYS 84 HB2 LYS 84 15.151 10.634 -1.609 586 2HB LYS 84 HB1 LYS 84 13.459 11.096 -1.574 587 1HG LYS 84 HG2 LYS 84 13.548 11.793 0.585 588 2HG LYS 84 HG1 LYS 84 14.794 10.622 1.025 589 1HD LYS 84 HD2 LYS 84 16.344 12.011 -0.481 590 2HD LYS 84 HD1 LYS 84 15.100 13.259 -0.376 591 1HE LYS 84 HE2 LYS 84 16.645 13.753 1.333 592 2HE LYS 84 HE1 LYS 84 15.263 13.014 2.140 593 1HZ LYS 84 HZ1 LYS 84 17.883 11.770 1.530 594 2HZ LYS 84 HZ2 LYS 84 16.533 10.872 2.013 595 3HZ LYS 84 HZ3 LYS 84 17.188 12.035 3.050 596 H GLY 85 HN GLY 85 15.137 7.329 -2.064 597 1HA GLY 85 HA2 GLY 85 16.864 5.890 -1.623 598 2HA GLY 85 HA1 GLY 85 17.585 7.268 -0.813 599 H LYS 86 HN LYS 86 14.843 5.099 -0.051 600 HA LYS 86 HA LYS 86 15.927 4.878 2.660 601 1HB LYS 86 HB2 LYS 86 13.418 5.429 1.963 602 2HB LYS 86 HB1 LYS 86 13.303 3.677 1.972 603 1HG LYS 86 HG2 LYS 86 12.637 4.417 4.112 604 2HG LYS 86 HG1 LYS 86 14.255 3.734 4.294 605 1HD LYS 86 HD2 LYS 86 14.315 5.726 5.527 606 2HD LYS 86 HD1 LYS 86 15.103 6.129 4.000 607 1HE LYS 86 HE2 LYS 86 12.410 6.639 3.548 608 2HE LYS 86 HE1 LYS 86 12.694 7.217 5.189 609 1HZ LYS 86 HZ1 LYS 86 14.535 8.551 4.361 610 2HZ LYS 86 HZ2 LYS 86 13.099 8.952 3.562 611 3HZ LYS 86 HZ3 LYS 86 14.258 7.996 2.786 612 H ALA 87 HN ALA 87 17.579 3.365 2.281 613 HA ALA 87 HA ALA 87 17.004 0.805 1.103 614 1HB ALA 87 HB1 ALA 87 19.261 1.809 1.001 615 2HB ALA 87 HB2 ALA 87 19.274 0.214 1.756 616 3HB ALA 87 HB3 ALA 87 19.385 1.665 2.754 617 H ALA 88 HN ALA 88 15.344 -0.139 2.257 618 HA ALA 88 HA ALA 88 15.965 -0.771 5.065 619 1HB ALA 88 HB1 ALA 88 14.162 1.021 4.577 620 2HB ALA 88 HB2 ALA 88 13.839 -0.218 5.790 621 3HB ALA 88 HB3 ALA 88 13.155 -0.364 4.169 622 H LYS 89 HN LYS 89 13.985 -2.300 5.777 623 HA LYS 89 HA LYS 89 13.797 -4.551 3.904 624 1HB LYS 89 HB2 LYS 89 14.902 -4.555 6.695 625 2HB LYS 89 HB1 LYS 89 14.047 -5.973 6.109 626 1HG LYS 89 HG2 LYS 89 16.196 -6.527 5.574 627 2HG LYS 89 HG1 LYS 89 15.686 -5.744 4.079 628 1HD LYS 89 HD2 LYS 89 17.915 -4.998 4.809 629 2HD LYS 89 HD1 LYS 89 16.752 -3.674 4.766 630 1HE LYS 89 HE2 LYS 89 16.612 -3.557 7.083 631 2HE LYS 89 HE1 LYS 89 17.240 -5.190 7.301 632 1HZ LYS 89 HZ1 LYS 89 19.351 -4.479 7.217 633 2HZ LYS 89 HZ2 LYS 89 18.691 -2.977 7.628 634 3HZ LYS 89 HZ3 LYS 89 19.050 -3.328 6.014 635 H PHE 90 HN PHE 90 11.790 -5.628 4.042 636 HA PHE 90 HA PHE 90 10.016 -4.861 6.211 637 1HB PHE 90 HB2 PHE 90 8.780 -4.930 3.507 638 2HB PHE 90 HB1 PHE 90 8.264 -4.077 4.952 639 HD1 PHE 90 HD1 PHE 90 8.942 -3.452 1.828 640 HD2 PHE 90 HD2 PHE 90 10.551 -2.419 5.618 641 HE1 PHE 90 HE1 PHE 90 9.797 -1.338 0.887 642 HE2 PHE 90 HE2 PHE 90 11.401 -0.308 4.699 643 HZ PHE 90 HZ PHE 90 11.029 0.237 2.325 644 H ALA 91 HN ALA 91 8.042 -6.213 6.273 645 HA ALA 91 HA ALA 91 8.352 -8.816 4.971 646 1HB ALA 91 HB1 ALA 91 8.507 -9.768 7.010 647 2HB ALA 91 HB2 ALA 91 6.878 -9.179 7.345 648 3HB ALA 91 HB3 ALA 91 8.279 -8.209 7.804 649 H ILE 92 HN ILE 92 6.868 -8.573 3.442 650 HA ILE 92 HA ILE 92 4.462 -7.036 3.983 651 HB ILE 92 HB ILE 92 5.475 -8.108 1.368 652 1HG1 ILE 92 2HG1 ILE 92 6.198 -5.645 2.914 653 2HG1 ILE 92 1HG1 ILE 92 7.235 -6.765 2.071 654 1HG2 ILE 92 1HG2 ILE 92 3.238 -7.530 1.099 655 2HG2 ILE 92 2HG2 ILE 92 4.139 -6.139 0.500 656 3HG2 ILE 92 3HG2 ILE 92 3.396 -6.084 2.097 657 1HD1 ILE 92 1HD1 ILE 92 5.961 -4.339 1.144 658 2HD1 ILE 92 2HD1 ILE 92 5.719 -5.704 0.055 659 3HD1 ILE 92 3HD1 ILE 92 7.354 -5.208 0.497 660 H ASN 93 HN ASN 93 2.446 -7.593 2.990 661 HA ASN 93 HA ASN 93 1.904 -10.443 2.647 662 1HB ASN 93 HB2 ASN 93 0.502 -8.550 4.523 663 2HB ASN 93 HB1 ASN 93 -0.302 -9.986 3.903 664 1HD2 ASN 93 1HD2 ASN 93 -0.440 -10.579 6.155 665 2HD2 ASN 93 2HD2 ASN 93 0.905 -11.351 6.914 666 H LEU 94 HN LEU 94 1.358 -10.446 0.510 667 HA LEU 94 HA LEU 94 0.186 -8.279 -0.862 668 1HB LEU 94 HB2 LEU 94 1.481 -10.258 -1.818 669 2HB LEU 94 HB1 LEU 94 -0.017 -11.156 -1.718 670 HG LEU 94 HG LEU 94 -1.076 -9.531 -3.246 671 1HD1 LEU 94 1HD1 LEU 94 0.897 -8.187 -4.500 672 2HD1 LEU 94 2HD1 LEU 94 1.493 -8.155 -2.841 673 3HD1 LEU 94 3HD1 LEU 94 -0.102 -7.503 -3.218 674 1HD2 LEU 94 1HD2 LEU 94 1.297 -11.146 -3.997 675 2HD2 LEU 94 2HD2 LEU 94 0.621 -10.066 -5.214 676 3HD2 LEU 94 3HD2 LEU 94 -0.387 -11.312 -4.486 677 H LYS 95 HN LYS 95 -1.916 -8.127 -1.859 678 HA LYS 95 HA LYS 95 -4.019 -9.805 -0.800 679 1HB LYS 95 HB2 LYS 95 -3.858 -6.866 -0.156 680 2HB LYS 95 HB1 LYS 95 -5.351 -7.786 -0.060 681 1HG LYS 95 HG2 LYS 95 -4.004 -9.363 1.482 682 2HG LYS 95 HG1 LYS 95 -2.894 -7.998 1.625 683 1HD LYS 95 HD2 LYS 95 -4.442 -7.859 3.436 684 2HD LYS 95 HD1 LYS 95 -4.858 -6.587 2.284 685 1HE LYS 95 HE2 LYS 95 -6.387 -8.622 1.364 686 2HE LYS 95 HE1 LYS 95 -6.362 -8.986 3.090 687 1HZ LYS 95 HZ1 LYS 95 -7.408 -6.591 1.724 688 2HZ LYS 95 HZ2 LYS 95 -6.958 -6.520 3.353 689 3HZ LYS 95 HZ3 LYS 95 -8.172 -7.588 2.857 690 H LYS 96 HN LYS 96 -5.171 -6.771 -1.755 691 HA LYS 96 HA LYS 96 -6.390 -7.873 -4.061 692 1HB LYS 96 HB2 LYS 96 -6.568 -5.423 -2.528 693 2HB LYS 96 HB1 LYS 96 -6.675 -5.108 -4.255 694 1HG LYS 96 HG2 LYS 96 -8.804 -5.690 -4.192 695 2HG LYS 96 HG1 LYS 96 -8.312 -7.333 -3.776 696 1HD LYS 96 HD2 LYS 96 -9.135 -7.112 -1.721 697 2HD LYS 96 HD1 LYS 96 -8.183 -5.652 -1.449 698 1HE LYS 96 HE2 LYS 96 -10.236 -4.719 -1.262 699 2HE LYS 96 HE1 LYS 96 -10.092 -4.630 -3.017 700 1HZ LYS 96 HZ1 LYS 96 -12.225 -5.548 -2.323 701 2HZ LYS 96 HZ2 LYS 96 -11.440 -6.811 -1.516 702 3HZ LYS 96 HZ3 LYS 96 -11.329 -6.685 -3.199 703 H VAL 97 HN VAL 97 -5.145 -8.412 -5.758 704 HA VAL 97 HA VAL 97 -3.315 -6.393 -6.851 705 HB VAL 97 HB VAL 97 -2.078 -8.367 -6.441 706 1HG1 VAL 97 1HG1 VAL 97 -3.170 -10.502 -7.791 707 2HG1 VAL 97 2HG1 VAL 97 -4.580 -9.718 -7.083 708 3HG1 VAL 97 3HG1 VAL 97 -3.246 -10.237 -6.049 709 1HG2 VAL 97 1HG2 VAL 97 -1.098 -8.351 -8.436 710 2HG2 VAL 97 2HG2 VAL 97 -2.490 -7.479 -9.070 711 3HG2 VAL 97 3HG2 VAL 97 -2.438 -9.240 -9.158 712 H GLU 98 HN GLU 98 -4.436 -5.208 -8.299 713 HA GLU 98 HA GLU 98 -5.934 -6.669 -10.364 714 1HB GLU 98 HB2 GLU 98 -6.822 -4.089 -9.075 715 2HB GLU 98 HB1 GLU 98 -7.669 -4.960 -10.346 716 1HG GLU 98 HG2 GLU 98 -8.337 -6.653 -8.915 717 2HG GLU 98 HG1 GLU 98 -7.075 -6.292 -7.739 718 H GLU 99 HN GLU 99 -6.375 -5.253 -12.324 719 HA GLU 99 HA GLU 99 -3.880 -3.949 -13.057 720 1HB GLU 99 HB2 GLU 99 -4.960 -5.708 -14.485 721 2HB GLU 99 HB1 GLU 99 -6.256 -4.564 -14.804 722 1HG GLU 99 HG2 GLU 99 -3.441 -3.775 -15.364 723 2HG GLU 99 HG1 GLU 99 -4.288 -4.839 -16.485 724 H ARG 100 HN ARG 100 -4.013 -1.963 -12.021 725 HA ARG 100 HA ARG 100 -6.175 -0.184 -12.157 726 1HB ARG 100 HB2 ARG 100 -4.613 1.518 -11.435 727 2HB ARG 100 HB1 ARG 100 -4.308 0.019 -10.567 728 1HG ARG 100 HG2 ARG 100 -2.217 -0.087 -11.302 729 2HG ARG 100 HG1 ARG 100 -2.717 0.180 -12.973 730 1HD ARG 100 HD2 ARG 100 -2.758 2.515 -11.143 731 2HD ARG 100 HD1 ARG 100 -1.182 1.900 -11.634 732 HE ARG 100 HE ARG 100 -3.008 2.335 -13.817 733 1HH1 ARG 100 1HH1 ARG 100 -0.559 3.762 -11.775 734 2HH1 ARG 100 2HH1 ARG 100 -0.168 5.011 -12.906 735 1HH2 ARG 100 1HH2 ARG 100 -2.489 3.986 -15.305 736 2HH2 ARG 100 2HH2 ARG 100 -1.261 5.140 -14.906 737 H GLU 101 HN GLU 101 -6.476 1.714 -13.350 738 HA GLU 101 HA GLU 101 -4.930 2.584 -15.500 739 1HB GLU 101 HB2 GLU 101 -5.747 0.294 -16.356 740 2HB GLU 101 HB1 GLU 101 -7.326 1.054 -16.497 741 1HG GLU 101 HG2 GLU 101 -6.771 2.064 -18.392 742 2HG GLU 101 HG1 GLU 101 -5.258 2.666 -17.713 743 H LEU 102 HN LEU 102 -5.755 4.291 -13.958 744 HA LEU 102 HA LEU 102 -8.483 5.119 -14.141 745 1HB LEU 102 HB2 LEU 102 -5.971 6.339 -13.040 746 2HB LEU 102 HB1 LEU 102 -7.464 7.249 -13.089 747 HG LEU 102 HG LEU 102 -8.548 5.671 -11.622 748 1HD1 LEU 102 1HD1 LEU 102 -7.245 3.785 -10.652 749 2HD1 LEU 102 2HD1 LEU 102 -5.984 4.102 -11.844 750 3HD1 LEU 102 3HD1 LEU 102 -7.592 3.603 -12.372 751 1HD2 LEU 102 1HD2 LEU 102 -7.276 7.420 -10.551 752 2HD2 LEU 102 2HD2 LEU 102 -5.806 6.453 -10.656 753 3HD2 LEU 102 3HD2 LEU 102 -7.133 5.930 -9.617 754 HA PRO 103 HA PRO 103 -8.356 7.762 -17.665 755 1HB PRO 103 HB2 PRO 103 -9.756 9.951 -16.958 756 2HB PRO 103 HB1 PRO 103 -10.514 8.367 -17.144 757 1HG PRO 103 HG2 PRO 103 -9.673 9.784 -14.649 758 2HG PRO 103 HG1 PRO 103 -11.142 8.843 -14.963 759 1HD PRO 103 HD2 PRO 103 -8.967 7.869 -13.622 760 2HD PRO 103 HD1 PRO 103 -10.104 6.851 -14.521 761 H GLU 104 HN GLU 104 -6.842 8.970 -18.592 762 HA GLU 104 HA GLU 104 -5.105 10.614 -16.935 763 1HB GLU 104 HB2 GLU 104 -4.340 8.941 -18.746 764 2HB GLU 104 HB1 GLU 104 -4.812 10.182 -19.898 765 1HG GLU 104 HG2 GLU 104 -2.450 10.313 -19.469 766 2HG GLU 104 HG1 GLU 104 -3.255 11.747 -18.832 767 H LEU 105 HN LEU 105 -4.991 12.791 -16.984 768 HA LEU 105 HA LEU 105 -6.933 14.188 -18.687 769 1HB LEU 105 HB2 LEU 105 -5.687 14.816 -16.035 770 2HB LEU 105 HB1 LEU 105 -6.343 16.107 -17.022 771 HG LEU 105 HG LEU 105 -7.990 13.712 -16.251 772 1HD1 LEU 105 1HD1 LEU 105 -8.776 14.802 -14.330 773 2HD1 LEU 105 2HD1 LEU 105 -8.009 16.327 -14.776 774 3HD1 LEU 105 3HD1 LEU 105 -7.022 14.960 -14.258 775 1HD2 LEU 105 1HD2 LEU 105 -9.028 16.458 -16.753 776 2HD2 LEU 105 2HD2 LEU 105 -9.796 14.893 -17.023 777 3HD2 LEU 105 3HD2 LEU 105 -8.543 15.463 -18.127 778 H THR 106 HN THR 106 -6.209 16.501 -19.249 779 HA THR 106 HA THR 106 -3.373 16.840 -19.679 780 HB THR 106 HB THR 106 -5.237 16.563 -22.045 781 HG1 THR 106 HG1 THR 106 -4.726 14.539 -21.463 782 1HG2 THR 106 1HG2 THR 106 -2.300 17.186 -21.915 783 2HG2 THR 106 2HG2 THR 106 -3.585 18.186 -22.593 784 3HG2 THR 106 3HG2 THR 106 -3.142 16.669 -23.376 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -11.851 22.842 -10.597 2 2H GLY 1 HT2 GLY 1 -12.494 21.779 -11.744 3 3H GLY 1 HT3 GLY 1 -11.025 21.418 -10.985 4 1HA GLY 1 HA1 GLY 1 -13.667 21.585 -9.640 5 2HA GLY 1 HA2 GLY 1 -12.841 20.094 -10.069 6 H SER 2 HN SER 2 -11.869 19.153 -8.419 7 HA SER 2 HA SER 2 -10.156 20.627 -6.646 8 1HB SER 2 HB2 SER 2 -12.544 20.895 -5.730 9 2HB SER 2 HB1 SER 2 -12.448 19.179 -5.329 10 HG SER 2 HG SER 2 -11.778 20.759 -3.661 11 H HIS 3 HN HIS 3 -11.883 17.586 -7.225 12 HA HIS 3 HA HIS 3 -11.196 15.420 -7.220 13 1HB HIS 3 HB2 HIS 3 -8.698 16.923 -7.739 14 2HB HIS 3 HB1 HIS 3 -8.500 15.263 -7.184 15 HD2 HIS 3 HD2 HIS 3 -8.269 13.637 -9.318 16 HE1 HIS 3 HE1 HIS 3 -10.844 15.726 -11.970 17 HE2 HIS 3 HE2 HIS 3 -9.403 13.686 -11.644 18 H MET 4 HN MET 4 -11.645 14.362 -5.409 19 HA MET 4 HA MET 4 -10.002 14.894 -3.023 20 1HB MET 4 HB2 MET 4 -12.428 15.442 -2.818 21 2HB MET 4 HB1 MET 4 -12.799 13.750 -3.119 22 1HG MET 4 HG2 MET 4 -10.940 13.732 -1.041 23 2HG MET 4 HG1 MET 4 -12.040 15.060 -0.672 24 1HE MET 4 HE1 MET 4 -14.184 14.489 0.870 25 2HE MET 4 HE2 MET 4 -15.371 13.500 0.020 26 3HE MET 4 HE3 MET 4 -14.583 14.842 -0.811 27 H GLN 5 HN GLN 5 -12.012 12.244 -4.318 28 HA GLN 5 HA GLN 5 -10.117 10.317 -3.224 29 1HB GLN 5 HB2 GLN 5 -12.951 10.246 -4.083 30 2HB GLN 5 HB1 GLN 5 -12.025 8.774 -4.338 31 1HG GLN 5 HG2 GLN 5 -11.674 9.946 -1.688 32 2HG GLN 5 HG1 GLN 5 -13.327 9.448 -2.044 33 1HE2 GLN 5 1HE2 GLN 5 -12.326 8.112 -0.086 34 2HE2 GLN 5 2HE2 GLN 5 -11.782 6.537 -0.539 35 H ALA 6 HN ALA 6 -9.035 8.785 -4.456 36 HA ALA 6 HA ALA 6 -8.334 9.610 -7.104 37 1HB ALA 6 HB1 ALA 6 -7.505 7.354 -5.321 38 2HB ALA 6 HB2 ALA 6 -6.549 8.704 -5.932 39 3HB ALA 6 HB3 ALA 6 -7.012 7.392 -7.014 40 H THR 7 HN THR 7 -8.462 8.275 -9.015 41 HA THR 7 HA THR 7 -10.908 6.639 -9.049 42 HB THR 7 HB THR 7 -9.724 7.672 -11.574 43 HG1 THR 7 HG1 THR 7 -11.396 9.387 -10.117 44 1HG2 THR 7 1HG2 THR 7 -11.656 6.738 -12.201 45 2HG2 THR 7 2HG2 THR 7 -12.350 8.265 -11.657 46 3HG2 THR 7 3HG2 THR 7 -12.364 6.862 -10.589 47 H TRP 8 HN TRP 8 -10.923 4.651 -10.074 48 HA TRP 8 HA TRP 8 -8.427 3.660 -11.215 49 1HB TRP 8 HB2 TRP 8 -9.867 2.340 -8.912 50 2HB TRP 8 HB1 TRP 8 -8.597 1.573 -9.859 51 HD1 TRP 8 HD1 TRP 8 -9.057 4.673 -7.583 52 HE1 TRP 8 HE1 TRP 8 -6.813 5.129 -6.411 53 HE3 TRP 8 HE3 TRP 8 -6.215 1.092 -9.864 54 HZ2 TRP 8 HZ2 TRP 8 -4.173 4.099 -6.453 55 HZ3 TRP 8 HZ3 TRP 8 -3.859 0.903 -9.254 56 HH2 TRP 8 HH2 TRP 8 -2.847 2.358 -7.584 57 H LYS 9 HN LYS 9 -8.678 1.572 -12.282 58 HA LYS 9 HA LYS 9 -11.384 0.759 -12.969 59 1HB LYS 9 HB2 LYS 9 -10.724 0.782 -15.440 60 2HB LYS 9 HB1 LYS 9 -11.106 2.334 -14.707 61 1HG LYS 9 HG2 LYS 9 -8.365 2.023 -14.329 62 2HG LYS 9 HG1 LYS 9 -8.673 1.442 -15.965 63 1HD LYS 9 HD2 LYS 9 -8.699 3.566 -16.629 64 2HD LYS 9 HD1 LYS 9 -10.200 3.767 -15.723 65 1HE LYS 9 HE2 LYS 9 -7.747 3.912 -14.109 66 2HE LYS 9 HE1 LYS 9 -7.930 5.199 -15.303 67 1HZ LYS 9 HZ1 LYS 9 -10.087 5.723 -14.377 68 2HZ LYS 9 HZ2 LYS 9 -8.905 5.796 -13.170 69 3HZ LYS 9 HZ3 LYS 9 -9.948 4.467 -13.251 70 H GLU 10 HN GLU 10 -9.001 -0.282 -11.564 71 HA GLU 10 HA GLU 10 -7.746 -2.240 -13.158 72 1HB GLU 10 HB2 GLU 10 -6.889 -3.114 -11.034 73 2HB GLU 10 HB1 GLU 10 -6.696 -1.375 -11.159 74 1HG GLU 10 HG2 GLU 10 -9.078 -1.492 -9.914 75 2HG GLU 10 HG1 GLU 10 -8.333 -2.969 -9.307 76 H LYS 11 HN LYS 11 -8.207 -4.274 -13.623 77 HA LYS 11 HA LYS 11 -10.824 -5.273 -13.349 78 1HB LYS 11 HB2 LYS 11 -8.297 -6.799 -14.010 79 2HB LYS 11 HB1 LYS 11 -9.941 -7.313 -14.362 80 1HG LYS 11 HG2 LYS 11 -10.225 -5.660 -16.002 81 2HG LYS 11 HG1 LYS 11 -8.797 -4.771 -15.471 82 1HD LYS 11 HD2 LYS 11 -7.524 -6.945 -16.089 83 2HD LYS 11 HD1 LYS 11 -8.972 -7.327 -17.024 84 1HE LYS 11 HE2 LYS 11 -7.450 -4.743 -17.301 85 2HE LYS 11 HE1 LYS 11 -7.131 -6.167 -18.293 86 1HZ LYS 11 HZ1 LYS 11 -8.605 -4.712 -19.460 87 2HZ LYS 11 HZ2 LYS 11 -9.670 -4.633 -18.148 88 3HZ LYS 11 HZ3 LYS 11 -9.481 -6.083 -18.999 89 H ASP 12 HN ASP 12 -10.128 -8.075 -12.700 90 HA ASP 12 HA ASP 12 -9.566 -7.844 -9.834 91 1HB ASP 12 HB2 ASP 12 -12.043 -7.953 -10.292 92 2HB ASP 12 HB1 ASP 12 -11.780 -9.558 -10.969 93 H GLY 13 HN GLY 13 -8.107 -8.858 -12.295 94 1HA GLY 13 HA2 GLY 13 -7.807 -11.686 -11.573 95 2HA GLY 13 HA1 GLY 13 -7.223 -10.936 -13.051 96 H ALA 14 HN ALA 14 -5.225 -12.060 -12.556 97 HA ALA 14 HA ALA 14 -3.694 -11.462 -10.247 98 1HB ALA 14 HB1 ALA 14 -3.085 -13.450 -11.254 99 2HB ALA 14 HB2 ALA 14 -1.792 -12.367 -11.768 100 3HB ALA 14 HB3 ALA 14 -3.107 -12.759 -12.875 101 H VAL 15 HN VAL 15 -1.216 -10.762 -10.959 102 HA VAL 15 HA VAL 15 -1.402 -7.935 -11.377 103 HB VAL 15 HB VAL 15 0.366 -8.903 -9.974 104 1HG1 VAL 15 1HG1 VAL 15 0.715 -10.877 -11.576 105 2HG1 VAL 15 2HG1 VAL 15 2.131 -10.188 -10.785 106 3HG1 VAL 15 3HG1 VAL 15 1.780 -9.784 -12.463 107 1HG2 VAL 15 1HG2 VAL 15 1.974 -7.658 -12.088 108 2HG2 VAL 15 2HG2 VAL 15 1.754 -7.200 -10.403 109 3HG2 VAL 15 3HG2 VAL 15 0.542 -6.750 -11.600 110 H GLU 16 HN GLU 16 -0.570 -6.719 -13.159 111 HA GLU 16 HA GLU 16 0.020 -8.238 -15.571 112 1HB GLU 16 HB2 GLU 16 -2.320 -6.519 -15.139 113 2HB GLU 16 HB1 GLU 16 -1.421 -6.149 -16.599 114 1HG GLU 16 HG2 GLU 16 -1.808 -8.992 -16.299 115 2HG GLU 16 HG1 GLU 16 -3.344 -8.126 -16.256 116 H ALA 17 HN ALA 17 0.896 -6.833 -17.270 117 HA ALA 17 HA ALA 17 3.240 -5.797 -16.985 118 1HB ALA 17 HB1 ALA 17 2.788 -3.942 -18.621 119 2HB ALA 17 HB2 ALA 17 1.078 -4.363 -18.508 120 3HB ALA 17 HB3 ALA 17 2.239 -5.544 -19.113 121 H GLU 18 HN GLU 18 0.784 -3.195 -16.765 122 HA GLU 18 HA GLU 18 2.409 -2.043 -14.585 123 1HB GLU 18 HB2 GLU 18 0.794 -0.618 -16.698 124 2HB GLU 18 HB1 GLU 18 1.616 0.176 -15.362 125 1HG GLU 18 HG2 GLU 18 3.439 0.317 -16.602 126 2HG GLU 18 HG1 GLU 18 3.536 -1.444 -16.622 127 H ASP 19 HN ASP 19 0.968 -3.442 -13.221 128 HA ASP 19 HA ASP 19 -1.728 -2.359 -12.829 129 1HB ASP 19 HB2 ASP 19 -0.336 -4.855 -11.886 130 2HB ASP 19 HB1 ASP 19 -1.924 -4.376 -11.304 131 H ARG 20 HN ARG 20 -2.336 -2.860 -10.306 132 HA ARG 20 HA ARG 20 -0.348 -1.646 -8.544 133 1HB ARG 20 HB2 ARG 20 -2.974 -0.490 -9.291 134 2HB ARG 20 HB1 ARG 20 -2.503 -0.372 -7.602 135 1HG ARG 20 HG2 ARG 20 -0.511 0.456 -9.636 136 2HG ARG 20 HG1 ARG 20 -1.913 1.501 -9.381 137 1HD ARG 20 HD2 ARG 20 -1.193 0.985 -6.831 138 2HD ARG 20 HD1 ARG 20 0.369 0.928 -7.623 139 HE ARG 20 HE ARG 20 -1.288 3.245 -8.186 140 1HH1 ARG 20 1HH1 ARG 20 1.381 1.884 -6.384 141 2HH1 ARG 20 2HH1 ARG 20 2.042 3.426 -5.964 142 1HH2 ARG 20 1HH2 ARG 20 -0.420 5.271 -7.619 143 2HH2 ARG 20 2HH2 ARG 20 1.020 5.346 -6.659 144 H VAL 21 HN VAL 21 -0.141 -3.060 -6.906 145 HA VAL 21 HA VAL 21 -2.384 -4.765 -6.125 146 HB VAL 21 HB VAL 21 -0.697 -5.953 -4.752 147 1HG1 VAL 21 1HG1 VAL 21 0.379 -7.080 -6.545 148 2HG1 VAL 21 2HG1 VAL 21 0.299 -5.646 -7.576 149 3HG1 VAL 21 3HG1 VAL 21 -1.177 -6.517 -7.167 150 1HG2 VAL 21 1HG2 VAL 21 1.727 -5.093 -5.768 151 2HG2 VAL 21 2HG2 VAL 21 1.103 -4.787 -4.144 152 3HG2 VAL 21 3HG2 VAL 21 0.861 -3.597 -5.419 153 H THR 22 HN THR 22 -2.644 -5.182 -3.728 154 HA THR 22 HA THR 22 -2.211 -2.712 -2.168 155 HB THR 22 HB THR 22 -4.555 -4.622 -2.027 156 HG1 THR 22 HG1 THR 22 -4.476 -2.973 -3.737 157 1HG2 THR 22 1HG2 THR 22 -5.087 -2.270 -0.591 158 2HG2 THR 22 2HG2 THR 22 -3.524 -2.866 -0.030 159 3HG2 THR 22 3HG2 THR 22 -4.944 -3.916 0.026 160 H ILE 23 HN ILE 23 -0.689 -3.126 -0.654 161 HA ILE 23 HA ILE 23 -0.788 -5.764 0.652 162 HB ILE 23 HB ILE 23 1.641 -5.889 0.619 163 1HG1 ILE 23 2HG1 ILE 23 2.586 -4.173 -1.245 164 2HG1 ILE 23 1HG1 ILE 23 1.363 -3.165 -0.470 165 1HG2 ILE 23 1HG2 ILE 23 -0.034 -6.439 -1.430 166 2HG2 ILE 23 2HG2 ILE 23 1.682 -6.853 -1.411 167 3HG2 ILE 23 3HG2 ILE 23 1.136 -5.387 -2.229 168 1HD1 ILE 23 1HD1 ILE 23 2.764 -4.431 1.591 169 2HD1 ILE 23 2HD1 ILE 23 2.816 -2.735 1.130 170 3HD1 ILE 23 3HD1 ILE 23 3.970 -3.872 0.435 171 H ASP 24 HN ASP 24 0.096 -5.943 2.713 172 HA ASP 24 HA ASP 24 0.454 -3.419 4.215 173 1HB ASP 24 HB2 ASP 24 -0.441 -4.730 6.191 174 2HB ASP 24 HB1 ASP 24 -1.626 -4.395 4.939 175 H PHE 25 HN PHE 25 2.473 -3.288 5.185 176 HA PHE 25 HA PHE 25 3.814 -5.800 5.876 177 1HB PHE 25 HB2 PHE 25 5.861 -5.205 4.768 178 2HB PHE 25 HB1 PHE 25 4.538 -5.161 3.606 179 HD1 PHE 25 HD1 PHE 25 4.168 -3.300 2.330 180 HD2 PHE 25 HD2 PHE 25 6.630 -2.970 5.761 181 HE1 PHE 25 HE1 PHE 25 4.722 -1.002 1.692 182 HE2 PHE 25 HE2 PHE 25 7.199 -0.651 5.125 183 HZ PHE 25 HZ PHE 25 6.228 0.328 3.078 184 H THR 26 HN THR 26 5.891 -5.443 7.016 185 HA THR 26 HA THR 26 6.088 -2.960 8.527 186 HB THR 26 HB THR 26 5.834 -5.599 9.968 187 HG1 THR 26 HG1 THR 26 3.861 -3.608 10.077 188 1HG2 THR 26 1HG2 THR 26 6.689 -3.024 10.812 189 2HG2 THR 26 2HG2 THR 26 6.528 -4.506 11.753 190 3HG2 THR 26 3HG2 THR 26 5.157 -3.407 11.597 191 H GLY 27 HN GLY 27 8.193 -2.429 8.405 192 1HA GLY 27 HA2 GLY 27 10.209 -4.377 9.145 193 2HA GLY 27 HA1 GLY 27 10.275 -3.867 7.470 194 H SER 28 HN SER 28 12.432 -3.477 9.026 195 HA SER 28 HA SER 28 12.383 -0.610 9.714 196 1HB SER 28 HB2 SER 28 14.736 -1.485 10.758 197 2HB SER 28 HB1 SER 28 13.215 -1.472 11.650 198 HG SER 28 HG SER 28 14.091 -3.678 10.110 199 H VAL 29 HN VAL 29 14.609 0.430 9.444 200 HA VAL 29 HA VAL 29 15.652 -0.276 6.801 201 HB VAL 29 HB VAL 29 14.702 1.863 6.575 202 1HG1 VAL 29 1HG1 VAL 29 14.437 3.384 8.175 203 2HG1 VAL 29 2HG1 VAL 29 16.143 3.353 8.615 204 3HG1 VAL 29 3HG1 VAL 29 15.039 2.156 9.284 205 1HG2 VAL 29 1HG2 VAL 29 17.169 3.211 6.918 206 2HG2 VAL 29 2HG2 VAL 29 16.454 2.581 5.434 207 3HG2 VAL 29 3HG2 VAL 29 17.522 1.564 6.397 208 H ASP 30 HN ASP 30 17.003 1.688 9.466 209 HA ASP 30 HA ASP 30 19.519 0.254 9.097 210 1HB ASP 30 HB2 ASP 30 18.757 2.921 10.152 211 2HB ASP 30 HB1 ASP 30 20.138 2.144 10.916 212 H GLY 31 HN GLY 31 17.445 -1.201 10.281 213 1HA GLY 31 HA2 GLY 31 17.625 -2.815 12.009 214 2HA GLY 31 HA1 GLY 31 18.629 -1.693 12.918 215 H GLU 32 HN GLU 32 16.400 0.329 11.961 216 HA GLU 32 HA GLU 32 14.382 -0.395 13.964 217 1HB GLU 32 HB2 GLU 32 15.628 2.345 13.683 218 2HB GLU 32 HB1 GLU 32 14.361 1.893 14.813 219 1HG GLU 32 HG2 GLU 32 17.208 0.924 14.799 220 2HG GLU 32 HG1 GLU 32 16.454 2.002 15.971 221 H GLU 33 HN GLU 33 12.373 -0.193 13.222 222 HA GLU 33 HA GLU 33 11.826 0.563 10.585 223 1HB GLU 33 HB2 GLU 33 9.472 0.251 11.191 224 2HB GLU 33 HB1 GLU 33 10.466 -1.074 11.768 225 1HG GLU 33 HG2 GLU 33 10.531 0.331 13.970 226 2HG GLU 33 HG1 GLU 33 9.074 1.063 13.298 227 H PHE 34 HN PHE 34 11.634 2.483 9.734 228 HA PHE 34 HA PHE 34 11.504 4.838 11.354 229 1HB PHE 34 HB2 PHE 34 11.877 6.003 9.216 230 2HB PHE 34 HB1 PHE 34 13.055 4.733 9.492 231 HD1 PHE 34 HD1 PHE 34 10.743 6.107 7.184 232 HD2 PHE 34 HD2 PHE 34 12.587 2.445 8.340 233 HE1 PHE 34 HE1 PHE 34 10.228 5.151 4.981 234 HE2 PHE 34 HE2 PHE 34 12.065 1.487 6.140 235 HZ PHE 34 HZ PHE 34 10.888 2.840 4.455 236 H GLU 35 HN GLU 35 10.130 6.011 8.837 237 HA GLU 35 HA GLU 35 7.564 6.346 10.016 238 1HB GLU 35 HB2 GLU 35 9.008 7.358 7.651 239 2HB GLU 35 HB1 GLU 35 7.263 7.254 7.459 240 1HG GLU 35 HG2 GLU 35 6.993 8.611 9.500 241 2HG GLU 35 HG1 GLU 35 8.750 8.765 9.595 242 H GLY 36 HN GLY 36 8.604 4.916 6.923 243 1HA GLY 36 HA2 GLY 36 6.054 3.633 6.518 244 2HA GLY 36 HA1 GLY 36 7.471 3.496 5.486 245 H GLY 37 HN GLY 37 8.226 2.877 8.726 246 1HA GLY 37 HA2 GLY 37 9.018 0.258 8.280 247 2HA GLY 37 HA1 GLY 37 8.743 0.970 9.859 248 H LYS 38 HN LYS 38 5.850 1.375 8.547 249 HA LYS 38 HA LYS 38 4.873 -1.337 8.678 250 1HB LYS 38 HB2 LYS 38 3.190 -0.764 10.446 251 2HB LYS 38 HB1 LYS 38 4.849 -0.870 11.019 252 1HG LYS 38 HG2 LYS 38 4.282 1.823 10.237 253 2HG LYS 38 HG1 LYS 38 3.034 1.247 11.343 254 1HD LYS 38 HD2 LYS 38 4.508 1.890 12.927 255 2HD LYS 38 HD1 LYS 38 5.244 0.321 12.585 256 1HE LYS 38 HE2 LYS 38 7.123 1.430 12.127 257 2HE LYS 38 HE1 LYS 38 6.321 2.001 10.664 258 1HZ LYS 38 HZ1 LYS 38 6.426 4.049 11.455 259 2HZ LYS 38 HZ2 LYS 38 7.185 3.498 12.862 260 3HZ LYS 38 HZ3 LYS 38 5.500 3.611 12.801 261 H ALA 39 HN ALA 39 3.425 -1.537 7.135 262 HA ALA 39 HA ALA 39 1.643 0.715 6.513 263 1HB ALA 39 HB1 ALA 39 3.569 -0.604 4.722 264 2HB ALA 39 HB2 ALA 39 2.843 1.002 4.627 265 3HB ALA 39 HB3 ALA 39 1.943 -0.409 4.061 266 H SER 40 HN SER 40 -0.419 0.138 5.816 267 HA SER 40 HA SER 40 -1.058 -2.715 6.135 268 1HB SER 40 HB2 SER 40 -3.403 -1.784 6.705 269 2HB SER 40 HB1 SER 40 -2.135 -1.640 7.923 270 HG SER 40 HG SER 40 -2.866 0.369 7.853 271 H ASP 41 HN ASP 41 -2.317 0.237 4.540 272 HA ASP 41 HA ASP 41 -3.285 -1.424 2.356 273 1HB ASP 41 HB2 ASP 41 -3.990 1.459 2.954 274 2HB ASP 41 HB1 ASP 41 -4.772 0.389 1.795 275 H PHE 42 HN PHE 42 -0.892 -1.512 1.797 276 HA PHE 42 HA PHE 42 0.153 0.976 0.700 277 1HB PHE 42 HB2 PHE 42 1.589 -0.671 2.001 278 2HB PHE 42 HB1 PHE 42 1.455 -1.741 0.615 279 HD1 PHE 42 HD1 PHE 42 3.658 -1.827 -0.238 280 HD2 PHE 42 HD2 PHE 42 1.882 1.938 0.664 281 HE1 PHE 42 HE1 PHE 42 5.554 -0.685 -1.291 282 HE2 PHE 42 HE2 PHE 42 3.786 3.083 -0.388 283 HZ PHE 42 HZ PHE 42 5.626 1.773 -1.366 284 H VAL 43 HN VAL 43 -0.629 1.532 -1.231 285 HA VAL 43 HA VAL 43 -1.436 -0.491 -3.140 286 HB VAL 43 HB VAL 43 -1.451 2.508 -3.445 287 1HG1 VAL 43 1HG1 VAL 43 -3.556 1.303 -4.861 288 2HG1 VAL 43 2HG1 VAL 43 -2.121 0.330 -5.194 289 3HG1 VAL 43 3HG1 VAL 43 -2.108 2.065 -5.522 290 1HG2 VAL 43 1HG2 VAL 43 -4.057 1.680 -3.001 291 2HG2 VAL 43 2HG2 VAL 43 -3.019 2.538 -1.863 292 3HG2 VAL 43 3HG2 VAL 43 -3.110 0.778 -1.818 293 H LEU 44 HN LEU 44 0.391 -1.446 -3.925 294 HA LEU 44 HA LEU 44 2.595 0.180 -4.889 295 1HB LEU 44 HB2 LEU 44 2.323 -2.433 -3.870 296 2HB LEU 44 HB1 LEU 44 2.839 -2.608 -5.535 297 HG LEU 44 HG LEU 44 4.263 -1.093 -3.351 298 1HD1 LEU 44 1HD1 LEU 44 4.871 -3.268 -3.023 299 2HD1 LEU 44 2HD1 LEU 44 6.055 -2.786 -4.238 300 3HD1 LEU 44 3HD1 LEU 44 4.632 -3.703 -4.718 301 1HD2 LEU 44 1HD2 LEU 44 5.887 -1.308 -5.629 302 2HD2 LEU 44 2HD2 LEU 44 5.204 0.158 -4.927 303 3HD2 LEU 44 3HD2 LEU 44 4.333 -0.703 -6.194 304 H ALA 45 HN ALA 45 3.132 0.498 -6.975 305 HA ALA 45 HA ALA 45 1.180 -0.389 -8.986 306 1HB ALA 45 HB1 ALA 45 1.891 1.457 -10.335 307 2HB ALA 45 HB2 ALA 45 3.239 1.797 -9.248 308 3HB ALA 45 HB3 ALA 45 1.582 2.055 -8.704 309 H MET 46 HN MET 46 1.858 -2.302 -9.833 310 HA MET 46 HA MET 46 4.583 -3.034 -10.091 311 1HB MET 46 HB2 MET 46 1.981 -4.202 -10.835 312 2HB MET 46 HB1 MET 46 3.340 -4.699 -11.831 313 1HG MET 46 HG2 MET 46 3.467 -4.798 -8.842 314 2HG MET 46 HG1 MET 46 2.772 -6.110 -9.782 315 1HE MET 46 HE1 MET 46 5.688 -6.508 -12.329 316 2HE MET 46 HE2 MET 46 3.944 -6.524 -12.072 317 3HE MET 46 HE3 MET 46 4.931 -7.869 -11.503 318 H GLY 47 HN GLY 47 5.455 -1.219 -11.138 319 1HA GLY 47 HA2 GLY 47 6.612 -0.808 -13.215 320 2HA GLY 47 HA1 GLY 47 5.185 -1.369 -14.071 321 H GLN 48 HN GLN 48 6.096 1.161 -11.735 322 HA GLN 48 HA GLN 48 4.478 3.055 -13.314 323 1HB GLN 48 HB2 GLN 48 3.442 2.626 -11.141 324 2HB GLN 48 HB1 GLN 48 4.946 3.037 -10.326 325 1HG GLN 48 HG2 GLN 48 4.663 5.314 -11.564 326 2HG GLN 48 HG1 GLN 48 2.976 4.814 -11.680 327 1HE2 GLN 48 1HE2 GLN 48 1.725 4.725 -9.845 328 2HE2 GLN 48 2HE2 GLN 48 2.232 5.387 -8.332 329 H GLY 49 HN GLY 49 6.895 3.289 -10.708 330 1HA GLY 49 HA2 GLY 49 8.265 5.370 -12.267 331 2HA GLY 49 HA1 GLY 49 8.447 5.092 -10.540 332 H ARG 50 HN ARG 50 9.084 2.548 -10.260 333 HA ARG 50 HA ARG 50 10.818 1.356 -12.078 334 1HB ARG 50 HB2 ARG 50 13.019 1.896 -11.156 335 2HB ARG 50 HB1 ARG 50 12.228 3.339 -11.774 336 1HG ARG 50 HG2 ARG 50 12.405 4.343 -9.813 337 2HG ARG 50 HG1 ARG 50 11.597 3.001 -9.001 338 1HD ARG 50 HD2 ARG 50 13.968 3.591 -8.250 339 2HD ARG 50 HD1 ARG 50 13.607 1.897 -8.570 340 HE ARG 50 HE ARG 50 14.993 3.638 -10.508 341 1HH1 ARG 50 1HH1 ARG 50 14.667 0.576 -8.842 342 2HH1 ARG 50 2HH1 ARG 50 15.974 -0.162 -9.701 343 1HH2 ARG 50 1HH2 ARG 50 16.707 2.657 -11.627 344 2HH2 ARG 50 2HH2 ARG 50 17.130 1.014 -11.276 345 H MET 51 HN MET 51 9.252 -0.109 -10.940 346 HA MET 51 HA MET 51 9.337 -0.853 -8.304 347 1HB MET 51 HB2 MET 51 7.918 -1.744 -10.318 348 2HB MET 51 HB1 MET 51 9.165 -2.979 -10.407 349 1HG MET 51 HG2 MET 51 7.855 -4.086 -8.977 350 2HG MET 51 HG1 MET 51 8.590 -3.035 -7.765 351 1HE MET 51 HE1 MET 51 5.836 -0.080 -8.045 352 2HE MET 51 HE2 MET 51 7.434 -0.339 -8.745 353 3HE MET 51 HE3 MET 51 7.187 -0.543 -7.011 354 H ILE 52 HN ILE 52 11.063 -1.248 -7.109 355 HA ILE 52 HA ILE 52 13.528 -2.223 -8.133 356 HB ILE 52 HB ILE 52 13.900 -2.683 -5.539 357 1HG1 ILE 52 2HG1 ILE 52 11.744 -0.565 -5.474 358 2HG1 ILE 52 1HG1 ILE 52 11.455 -2.251 -5.056 359 1HG2 ILE 52 1HG2 ILE 52 14.477 -0.219 -5.326 360 2HG2 ILE 52 2HG2 ILE 52 13.840 -0.041 -6.961 361 3HG2 ILE 52 3HG2 ILE 52 15.218 -1.100 -6.663 362 1HD1 ILE 52 1HD1 ILE 52 13.317 -0.340 -3.665 363 2HD1 ILE 52 2HD1 ILE 52 13.151 -2.054 -3.275 364 3HD1 ILE 52 3HD1 ILE 52 11.782 -0.962 -3.060 365 HA PRO 53 HA PRO 53 13.176 -6.604 -7.994 366 1HB PRO 53 HB2 PRO 53 15.349 -7.353 -6.468 367 2HB PRO 53 HB1 PRO 53 15.427 -6.942 -8.184 368 1HG PRO 53 HG2 PRO 53 16.053 -5.252 -5.797 369 2HG PRO 53 HG1 PRO 53 16.906 -5.363 -7.349 370 1HD PRO 53 HD2 PRO 53 15.268 -3.314 -6.799 371 2HD PRO 53 HD1 PRO 53 15.370 -4.002 -8.434 372 H GLY 54 HN GLY 54 13.431 -4.809 -5.043 373 1HA GLY 54 HA2 GLY 54 12.909 -6.884 -3.201 374 2HA GLY 54 HA1 GLY 54 12.632 -5.170 -2.933 375 H PHE 55 HN PHE 55 10.673 -4.357 -4.369 376 HA PHE 55 HA PHE 55 8.418 -5.730 -3.346 377 1HB PHE 55 HB2 PHE 55 8.696 -3.383 -5.218 378 2HB PHE 55 HB1 PHE 55 7.137 -4.027 -4.730 379 HD1 PHE 55 HD1 PHE 55 6.630 -4.075 -2.186 380 HD2 PHE 55 HD2 PHE 55 9.761 -1.782 -3.941 381 HE1 PHE 55 HE1 PHE 55 6.675 -2.637 -0.210 382 HE2 PHE 55 HE2 PHE 55 9.807 -0.333 -1.953 383 HZ PHE 55 HZ PHE 55 8.260 -0.759 -0.088 384 H GLU 56 HN GLU 56 9.717 -5.241 -6.608 385 HA GLU 56 HA GLU 56 7.774 -6.458 -8.115 386 1HB GLU 56 HB2 GLU 56 10.213 -5.426 -8.652 387 2HB GLU 56 HB1 GLU 56 10.549 -7.136 -8.874 388 1HG GLU 56 HG2 GLU 56 8.554 -7.205 -10.414 389 2HG GLU 56 HG1 GLU 56 8.544 -5.444 -10.333 390 H ASP 57 HN ASP 57 10.028 -7.951 -5.933 391 HA ASP 57 HA ASP 57 9.675 -10.604 -6.988 392 1HB ASP 57 HB2 ASP 57 11.609 -9.497 -5.452 393 2HB ASP 57 HB1 ASP 57 10.656 -10.296 -4.213 394 H GLY 58 HN GLY 58 9.079 -9.528 -3.639 395 1HA GLY 58 HA2 GLY 58 7.186 -11.525 -3.111 396 2HA GLY 58 HA1 GLY 58 7.403 -10.055 -2.175 397 H ILE 59 HN ILE 59 6.595 -8.050 -3.604 398 HA ILE 59 HA ILE 59 3.776 -8.495 -3.959 399 HB ILE 59 HB ILE 59 5.308 -5.925 -4.440 400 1HG1 ILE 59 2HG1 ILE 59 4.615 -5.527 -1.960 401 2HG1 ILE 59 1HG1 ILE 59 4.598 -7.268 -1.851 402 1HG2 ILE 59 1HG2 ILE 59 2.708 -6.482 -4.825 403 2HG2 ILE 59 2HG2 ILE 59 3.292 -4.893 -4.335 404 3HG2 ILE 59 3HG2 ILE 59 2.662 -6.010 -3.130 405 1HD1 ILE 59 1HD1 ILE 59 6.990 -6.219 -3.087 406 2HD1 ILE 59 2HD1 ILE 59 6.816 -7.368 -1.767 407 3HD1 ILE 59 3HD1 ILE 59 6.752 -5.639 -1.446 408 H LYS 60 HN LYS 60 5.218 -9.853 -5.671 409 HA LYS 60 HA LYS 60 5.590 -8.795 -8.261 410 1HB LYS 60 HB2 LYS 60 4.798 -11.170 -9.019 411 2HB LYS 60 HB1 LYS 60 6.296 -11.019 -8.122 412 1HG LYS 60 HG2 LYS 60 4.780 -11.475 -6.044 413 2HG LYS 60 HG1 LYS 60 3.679 -12.152 -7.244 414 1HD LYS 60 HD2 LYS 60 5.646 -13.518 -8.071 415 2HD LYS 60 HD1 LYS 60 6.498 -12.996 -6.618 416 1HE LYS 60 HE2 LYS 60 4.189 -13.860 -5.533 417 2HE LYS 60 HE1 LYS 60 4.282 -14.918 -6.943 418 1HZ LYS 60 HZ1 LYS 60 6.645 -14.583 -5.224 419 2HZ LYS 60 HZ2 LYS 60 6.202 -15.898 -6.192 420 3HZ LYS 60 HZ3 LYS 60 5.400 -15.618 -4.730 421 H GLY 61 HN GLY 61 2.813 -10.277 -6.730 422 1HA GLY 61 HA2 GLY 61 0.638 -9.141 -6.725 423 2HA GLY 61 HA1 GLY 61 0.992 -8.635 -8.369 424 H HIS 62 HN HIS 62 1.351 -11.747 -6.746 425 HA HIS 62 HA HIS 62 -0.540 -12.887 -8.722 426 1HB HIS 62 HB2 HIS 62 1.899 -14.318 -7.673 427 2HB HIS 62 HB1 HIS 62 0.807 -14.856 -8.944 428 HD2 HIS 62 HD2 HIS 62 2.787 -11.430 -8.663 429 HE1 HIS 62 HE1 HIS 62 3.587 -13.276 -12.411 430 HE2 HIS 62 HE2 HIS 62 3.962 -11.244 -10.969 431 H LYS 63 HN LYS 63 0.382 -12.701 -5.406 432 HA LYS 63 HA LYS 63 -1.535 -14.851 -4.789 433 1HB LYS 63 HB2 LYS 63 0.987 -13.993 -3.428 434 2HB LYS 63 HB1 LYS 63 -0.289 -14.772 -2.500 435 1HG LYS 63 HG2 LYS 63 0.739 -16.026 -5.009 436 2HG LYS 63 HG1 LYS 63 1.599 -16.214 -3.480 437 1HD LYS 63 HD2 LYS 63 -0.260 -17.268 -2.459 438 2HD LYS 63 HD1 LYS 63 -1.329 -16.820 -3.790 439 1HE LYS 63 HE2 LYS 63 -0.834 -18.696 -4.866 440 2HE LYS 63 HE1 LYS 63 0.887 -18.309 -4.815 441 1HZ LYS 63 HZ1 LYS 63 0.808 -19.210 -2.460 442 2HZ LYS 63 HZ2 LYS 63 0.679 -20.341 -3.712 443 3HZ LYS 63 HZ3 LYS 63 -0.702 -19.860 -2.861 444 H ALA 64 HN ALA 64 -3.316 -13.426 -4.860 445 HA ALA 64 HA ALA 64 -3.548 -11.058 -3.372 446 1HB ALA 64 HB1 ALA 64 -6.040 -12.537 -3.622 447 2HB ALA 64 HB2 ALA 64 -5.143 -12.461 -5.138 448 3HB ALA 64 HB3 ALA 64 -5.583 -10.974 -4.297 449 H GLY 65 HN GLY 65 -2.855 -11.242 -1.236 450 1HA GLY 65 HA2 GLY 65 -3.742 -11.443 0.991 451 2HA GLY 65 HA1 GLY 65 -4.590 -12.890 0.477 452 H GLU 66 HN GLU 66 -1.204 -12.175 -0.187 453 HA GLU 66 HA GLU 66 -0.472 -14.619 1.262 454 1HB GLU 66 HB2 GLU 66 0.251 -13.744 -1.216 455 2HB GLU 66 HB1 GLU 66 1.609 -13.184 -0.253 456 1HG GLU 66 HG2 GLU 66 1.502 -15.648 0.685 457 2HG GLU 66 HG1 GLU 66 0.734 -15.949 -0.875 458 H GLU 67 HN GLU 67 1.628 -14.596 2.421 459 HA GLU 67 HA GLU 67 2.235 -12.005 3.668 460 1HB GLU 67 HB2 GLU 67 0.847 -13.909 5.017 461 2HB GLU 67 HB1 GLU 67 2.497 -14.388 5.401 462 1HG GLU 67 HG2 GLU 67 2.762 -11.835 5.956 463 2HG GLU 67 HG1 GLU 67 1.010 -11.917 6.136 464 H PHE 68 HN PHE 68 4.168 -11.635 2.743 465 HA PHE 68 HA PHE 68 6.266 -13.681 3.110 466 1HB PHE 68 HB2 PHE 68 7.156 -12.995 0.871 467 2HB PHE 68 HB1 PHE 68 5.577 -13.782 0.797 468 HD1 PHE 68 HD1 PHE 68 3.581 -12.523 0.286 469 HD2 PHE 68 HD2 PHE 68 7.397 -10.663 0.398 470 HE1 PHE 68 HE1 PHE 68 2.647 -10.561 -0.849 471 HE2 PHE 68 HE2 PHE 68 6.470 -8.694 -0.743 472 HZ PHE 68 HZ PHE 68 4.083 -8.644 -1.366 473 H THR 69 HN THR 69 8.492 -12.741 2.816 474 HA THR 69 HA THR 69 8.605 -9.947 3.719 475 HB THR 69 HB THR 69 10.385 -12.191 4.682 476 HG1 THR 69 HG1 THR 69 7.960 -11.343 5.556 477 1HG2 THR 69 1HG2 THR 69 10.829 -9.441 4.750 478 2HG2 THR 69 2HG2 THR 69 11.696 -10.696 5.631 479 3HG2 THR 69 3HG2 THR 69 10.318 -9.887 6.376 480 H ILE 70 HN ILE 70 9.866 -8.647 2.480 481 HA ILE 70 HA ILE 70 12.038 -9.944 0.974 482 HB ILE 70 HB ILE 70 11.555 -8.725 -1.031 483 1HG1 ILE 70 2HG1 ILE 70 10.605 -6.702 0.130 484 2HG1 ILE 70 1HG1 ILE 70 9.729 -7.205 -1.309 485 1HG2 ILE 70 1HG2 ILE 70 10.440 -10.690 -1.247 486 2HG2 ILE 70 2HG2 ILE 70 9.079 -9.578 -1.372 487 3HG2 ILE 70 3HG2 ILE 70 9.412 -10.395 0.155 488 1HD1 ILE 70 1HD1 ILE 70 8.353 -8.536 0.592 489 2HD1 ILE 70 2HD1 ILE 70 7.941 -6.920 0.004 490 3HD1 ILE 70 3HD1 ILE 70 8.874 -7.111 1.493 491 H ASP 71 HN ASP 71 13.554 -8.304 0.026 492 HA ASP 71 HA ASP 71 14.095 -6.265 2.053 493 1HB ASP 71 HB2 ASP 71 16.320 -6.115 0.933 494 2HB ASP 71 HB1 ASP 71 15.964 -7.733 1.530 495 H VAL 72 HN VAL 72 14.405 -4.057 1.442 496 HA VAL 72 HA VAL 72 13.790 -3.365 -1.324 497 HB VAL 72 HB VAL 72 12.202 -1.536 -0.410 498 1HG1 VAL 72 1HG1 VAL 72 11.571 -3.410 -1.889 499 2HG1 VAL 72 2HG1 VAL 72 10.284 -2.941 -0.772 500 3HG1 VAL 72 3HG1 VAL 72 11.241 -4.390 -0.459 501 1HG2 VAL 72 1HG2 VAL 72 11.778 -3.585 1.750 502 2HG2 VAL 72 2HG2 VAL 72 11.027 -1.999 1.583 503 3HG2 VAL 72 3HG2 VAL 72 12.739 -2.123 1.979 504 H THR 73 HN THR 73 14.934 -1.639 -2.010 505 HA THR 73 HA THR 73 15.851 0.352 -0.129 506 HB THR 73 HB THR 73 17.721 -1.347 -1.799 507 HG1 THR 73 HG1 THR 73 17.995 -2.313 0.024 508 1HG2 THR 73 1HG2 THR 73 19.345 0.257 -0.331 509 2HG2 THR 73 2HG2 THR 73 18.066 1.378 -0.802 510 3HG2 THR 73 3HG2 THR 73 18.962 0.490 -2.036 511 H PHE 74 HN PHE 74 15.450 2.270 -1.085 512 HA PHE 74 HA PHE 74 14.839 2.300 -3.898 513 1HB PHE 74 HB2 PHE 74 14.605 4.333 -1.701 514 2HB PHE 74 HB1 PHE 74 14.228 4.702 -3.383 515 HD1 PHE 74 HD1 PHE 74 13.491 1.958 -0.946 516 HD2 PHE 74 HD2 PHE 74 12.030 4.603 -3.927 517 HE1 PHE 74 HE1 PHE 74 11.235 1.001 -0.683 518 HE2 PHE 74 HE2 PHE 74 9.770 3.666 -3.672 519 HZ PHE 74 HZ PHE 74 9.369 1.865 -2.044 520 HA PRO 75 HA PRO 75 18.884 3.646 -5.127 521 1HB PRO 75 HB2 PRO 75 18.246 4.465 -7.640 522 2HB PRO 75 HB1 PRO 75 18.423 2.767 -7.193 523 1HG PRO 75 HG2 PRO 75 15.930 4.397 -7.483 524 2HG PRO 75 HG1 PRO 75 16.255 2.741 -8.027 525 1HD PRO 75 HD2 PRO 75 14.855 3.275 -5.783 526 2HD PRO 75 HD1 PRO 75 15.906 1.850 -5.929 527 H GLU 76 HN GLU 76 19.831 5.605 -6.313 528 HA GLU 76 HA GLU 76 19.040 7.949 -4.887 529 1HB GLU 76 HB2 GLU 76 20.896 9.035 -6.159 530 2HB GLU 76 HB1 GLU 76 21.379 7.602 -5.263 531 1HG GLU 76 HG2 GLU 76 20.768 6.524 -7.673 532 2HG GLU 76 HG1 GLU 76 21.365 8.111 -8.147 533 H GLU 77 HN GLU 77 17.941 6.570 -7.738 534 HA GLU 77 HA GLU 77 17.339 9.087 -9.057 535 1HB GLU 77 HB2 GLU 77 16.304 7.655 -10.800 536 2HB GLU 77 HB1 GLU 77 17.986 7.256 -10.487 537 1HG GLU 77 HG2 GLU 77 16.689 5.573 -8.784 538 2HG GLU 77 HG1 GLU 77 15.573 5.650 -10.144 539 H TYR 78 HN TYR 78 15.705 6.581 -7.215 540 HA TYR 78 HA TYR 78 13.049 7.420 -7.708 541 1HB TYR 78 HB2 TYR 78 13.985 5.238 -6.582 542 2HB TYR 78 HB1 TYR 78 13.867 6.176 -5.099 543 HD1 TYR 78 HD1 TYR 78 12.150 4.070 -7.349 544 HD2 TYR 78 HD2 TYR 78 11.542 7.263 -4.599 545 HE1 TYR 78 HE1 TYR 78 9.770 3.473 -7.191 546 HE2 TYR 78 HE2 TYR 78 9.162 6.675 -4.439 547 HH TYR 78 HH TYR 78 7.540 5.307 -5.114 548 H HIS 79 HN HIS 79 14.827 7.736 -4.652 549 HA HIS 79 HA HIS 79 14.490 9.184 -2.916 550 1HB HIS 79 HB2 HIS 79 15.395 10.768 -5.278 551 2HB HIS 79 HB1 HIS 79 15.136 11.567 -3.727 552 HD2 HIS 79 HD2 HIS 79 16.583 8.046 -3.332 553 HE1 HIS 79 HE1 HIS 79 19.826 10.770 -3.037 554 HE2 HIS 79 HE2 HIS 79 19.104 8.365 -2.838 555 H ALA 80 HN ALA 80 12.115 8.748 -2.814 556 HA ALA 80 HA ALA 80 10.390 10.833 -3.851 557 1HB ALA 80 HB1 ALA 80 9.865 8.284 -3.549 558 2HB ALA 80 HB2 ALA 80 8.608 9.494 -3.295 559 3HB ALA 80 HB3 ALA 80 9.437 8.780 -1.912 560 H GLU 81 HN GLU 81 9.178 12.257 -2.575 561 HA GLU 81 HA GLU 81 10.493 13.579 -0.558 562 1HB GLU 81 HB2 GLU 81 7.744 13.561 -1.613 563 2HB GLU 81 HB1 GLU 81 7.915 14.214 0.011 564 1HG GLU 81 HG2 GLU 81 8.798 16.101 -0.742 565 2HG GLU 81 HG1 GLU 81 9.942 15.244 -1.774 566 H ASN 82 HN ASN 82 8.430 10.758 -0.210 567 HA ASN 82 HA ASN 82 8.306 11.157 2.674 568 1HB ASN 82 HB2 ASN 82 6.815 9.160 2.646 569 2HB ASN 82 HB1 ASN 82 6.243 10.514 1.676 570 1HD2 ASN 82 1HD2 ASN 82 8.054 7.495 1.454 571 2HD2 ASN 82 2HD2 ASN 82 7.507 7.077 -0.129 572 H LEU 83 HN LEU 83 9.780 8.833 0.412 573 HA LEU 83 HA LEU 83 11.301 7.816 2.715 574 1HB LEU 83 HB2 LEU 83 10.929 5.586 2.246 575 2HB LEU 83 HB1 LEU 83 9.361 6.319 2.029 576 HG LEU 83 HG LEU 83 9.380 4.951 0.217 577 1HD1 LEU 83 1HD1 LEU 83 9.571 7.476 -0.524 578 2HD1 LEU 83 2HD1 LEU 83 9.499 6.160 -1.690 579 3HD1 LEU 83 3HD1 LEU 83 11.051 6.889 -1.277 580 1HD2 LEU 83 1HD2 LEU 83 12.274 5.334 -0.382 581 2HD2 LEU 83 2HD2 LEU 83 11.205 4.013 -0.805 582 3HD2 LEU 83 3HD2 LEU 83 11.736 4.201 0.859 583 H LYS 84 HN LYS 84 11.839 9.556 0.265 584 HA LYS 84 HA LYS 84 13.368 8.621 -1.677 585 1HB LYS 84 HB2 LYS 84 14.937 10.565 -1.366 586 2HB LYS 84 HB1 LYS 84 13.229 10.968 -1.424 587 1HG LYS 84 HG2 LYS 84 13.149 11.283 0.938 588 2HG LYS 84 HG1 LYS 84 14.784 10.643 1.130 589 1HD LYS 84 HD2 LYS 84 15.762 12.531 0.161 590 2HD LYS 84 HD1 LYS 84 14.249 13.040 -0.591 591 1HE LYS 84 HE2 LYS 84 14.155 14.483 1.126 592 2HE LYS 84 HE1 LYS 84 13.561 13.089 2.027 593 1HZ LYS 84 HZ1 LYS 84 15.307 14.115 3.261 594 2HZ LYS 84 HZ2 LYS 84 16.352 14.090 1.932 595 3HZ LYS 84 HZ3 LYS 84 15.893 12.641 2.672 596 H GLY 85 HN GLY 85 15.008 7.328 -2.021 597 1HA GLY 85 HA2 GLY 85 16.733 5.866 -1.619 598 2HA GLY 85 HA1 GLY 85 17.461 7.254 -0.831 599 H LYS 86 HN LYS 86 14.804 5.015 -0.014 600 HA LYS 86 HA LYS 86 15.941 4.819 2.677 601 1HB LYS 86 HB2 LYS 86 13.350 5.189 1.867 602 2HB LYS 86 HB1 LYS 86 13.386 3.471 2.225 603 1HG LYS 86 HG2 LYS 86 13.133 3.966 4.366 604 2HG LYS 86 HG1 LYS 86 14.727 4.719 4.343 605 1HD LYS 86 HD2 LYS 86 12.186 6.154 3.577 606 2HD LYS 86 HD1 LYS 86 12.878 6.183 5.200 607 1HE LYS 86 HE2 LYS 86 15.031 6.980 4.032 608 2HE LYS 86 HE1 LYS 86 13.983 7.326 2.654 609 1HZ LYS 86 HZ1 LYS 86 12.623 8.705 4.184 610 2HZ LYS 86 HZ2 LYS 86 14.192 9.294 3.959 611 3HZ LYS 86 HZ3 LYS 86 13.792 8.478 5.386 612 H ALA 87 HN ALA 87 17.598 3.332 2.401 613 HA ALA 87 HA ALA 87 17.096 0.757 1.186 614 1HB ALA 87 HB1 ALA 87 19.389 0.222 2.011 615 2HB ALA 87 HB2 ALA 87 19.449 1.822 2.751 616 3HB ALA 87 HB3 ALA 87 19.320 1.665 1.001 617 H ALA 88 HN ALA 88 15.514 -0.316 2.328 618 HA ALA 88 HA ALA 88 16.163 -0.939 5.126 619 1HB ALA 88 HB1 ALA 88 13.321 -0.513 4.364 620 2HB ALA 88 HB2 ALA 88 14.353 0.883 4.671 621 3HB ALA 88 HB3 ALA 88 14.105 -0.323 5.933 622 H LYS 89 HN LYS 89 14.190 -2.424 5.879 623 HA LYS 89 HA LYS 89 14.014 -4.724 4.044 624 1HB LYS 89 HB2 LYS 89 15.260 -4.587 6.640 625 2HB LYS 89 HB1 LYS 89 13.870 -5.661 6.721 626 1HG LYS 89 HG2 LYS 89 14.765 -7.146 5.183 627 2HG LYS 89 HG1 LYS 89 15.882 -5.945 4.529 628 1HD LYS 89 HD2 LYS 89 16.060 -7.016 7.338 629 2HD LYS 89 HD1 LYS 89 16.929 -7.724 5.976 630 1HE LYS 89 HE2 LYS 89 18.525 -6.188 6.144 631 2HE LYS 89 HE1 LYS 89 17.339 -4.891 6.002 632 1HZ LYS 89 HZ1 LYS 89 18.572 -6.028 8.385 633 2HZ LYS 89 HZ2 LYS 89 16.946 -5.582 8.519 634 3HZ LYS 89 HZ3 LYS 89 18.101 -4.436 8.064 635 H PHE 90 HN PHE 90 11.963 -5.714 3.992 636 HA PHE 90 HA PHE 90 9.943 -4.678 5.860 637 1HB PHE 90 HB2 PHE 90 9.549 -4.861 2.870 638 2HB PHE 90 HB1 PHE 90 8.273 -4.560 4.037 639 HD1 PHE 90 HD1 PHE 90 8.307 -2.850 1.951 640 HD2 PHE 90 HD2 PHE 90 10.811 -2.713 5.361 641 HE1 PHE 90 HE1 PHE 90 8.567 -0.407 1.660 642 HE2 PHE 90 HE2 PHE 90 11.097 -0.290 5.085 643 HZ PHE 90 HZ PHE 90 9.969 0.871 3.227 644 H ALA 91 HN ALA 91 8.091 -6.044 6.145 645 HA ALA 91 HA ALA 91 8.288 -8.704 4.934 646 1HB ALA 91 HB1 ALA 91 8.023 -9.744 6.942 647 2HB ALA 91 HB2 ALA 91 6.941 -8.492 7.553 648 3HB ALA 91 HB3 ALA 91 8.688 -8.249 7.601 649 H ILE 92 HN ILE 92 6.780 -8.492 3.429 650 HA ILE 92 HA ILE 92 4.392 -6.924 3.977 651 HB ILE 92 HB ILE 92 5.401 -8.025 1.363 652 1HG1 ILE 92 2HG1 ILE 92 6.032 -5.509 2.853 653 2HG1 ILE 92 1HG1 ILE 92 7.107 -6.590 2.008 654 1HG2 ILE 92 1HG2 ILE 92 3.223 -6.103 2.067 655 2HG2 ILE 92 2HG2 ILE 92 3.152 -7.552 1.062 656 3HG2 ILE 92 3HG2 ILE 92 3.974 -6.106 0.470 657 1HD1 ILE 92 1HD1 ILE 92 7.136 -5.058 0.406 658 2HD1 ILE 92 2HD1 ILE 92 5.736 -4.220 1.078 659 3HD1 ILE 92 3HD1 ILE 92 5.504 -5.603 0.004 660 H ASN 93 HN ASN 93 2.369 -7.494 3.047 661 HA ASN 93 HA ASN 93 1.820 -10.345 2.742 662 1HB ASN 93 HB2 ASN 93 1.225 -9.772 5.057 663 2HB ASN 93 HB1 ASN 93 0.243 -8.431 4.483 664 1HD2 ASN 93 1HD2 ASN 93 -1.553 -9.037 2.993 665 2HD2 ASN 93 2HD2 ASN 93 -2.407 -10.500 3.332 666 H LEU 94 HN LEU 94 1.287 -10.342 0.613 667 HA LEU 94 HA LEU 94 0.126 -8.177 -0.763 668 1HB LEU 94 HB2 LEU 94 1.435 -10.149 -1.710 669 2HB LEU 94 HB1 LEU 94 -0.061 -11.050 -1.624 670 HG LEU 94 HG LEU 94 -1.092 -9.323 -3.122 671 1HD1 LEU 94 1HD1 LEU 94 1.589 -8.176 -2.799 672 2HD1 LEU 94 2HD1 LEU 94 0.062 -7.397 -3.217 673 3HD1 LEU 94 3HD1 LEU 94 0.998 -8.229 -4.460 674 1HD2 LEU 94 1HD2 LEU 94 -0.675 -11.023 -4.509 675 2HD2 LEU 94 2HD2 LEU 94 0.899 -11.340 -3.777 676 3HD2 LEU 94 3HD2 LEU 94 0.739 -10.104 -5.026 677 H LYS 95 HN LYS 95 -1.961 -7.947 -1.712 678 HA LYS 95 HA LYS 95 -4.073 -9.645 -0.680 679 1HB LYS 95 HB2 LYS 95 -3.898 -6.695 -0.085 680 2HB LYS 95 HB1 LYS 95 -5.399 -7.597 0.016 681 1HG LYS 95 HG2 LYS 95 -3.277 -8.895 1.489 682 2HG LYS 95 HG1 LYS 95 -3.530 -7.236 2.025 683 1HD LYS 95 HD2 LYS 95 -5.202 -8.049 3.266 684 2HD LYS 95 HD1 LYS 95 -6.096 -8.209 1.751 685 1HE LYS 95 HE2 LYS 95 -5.634 -10.477 1.573 686 2HE LYS 95 HE1 LYS 95 -4.240 -10.377 2.651 687 1HZ LYS 95 HZ1 LYS 95 -6.775 -9.662 3.854 688 2HZ LYS 95 HZ2 LYS 95 -5.524 -10.628 4.455 689 3HZ LYS 95 HZ3 LYS 95 -6.651 -11.281 3.380 690 H LYS 96 HN LYS 96 -5.133 -6.581 -1.689 691 HA LYS 96 HA LYS 96 -6.410 -7.697 -3.960 692 1HB LYS 96 HB2 LYS 96 -6.367 -5.077 -2.602 693 2HB LYS 96 HB1 LYS 96 -6.813 -5.052 -4.299 694 1HG LYS 96 HG2 LYS 96 -8.708 -6.357 -3.946 695 2HG LYS 96 HG1 LYS 96 -8.130 -6.936 -2.383 696 1HD LYS 96 HD2 LYS 96 -8.315 -4.586 -1.537 697 2HD LYS 96 HD1 LYS 96 -9.097 -4.164 -3.062 698 1HE LYS 96 HE2 LYS 96 -10.528 -6.354 -2.278 699 2HE LYS 96 HE1 LYS 96 -10.154 -5.590 -0.733 700 1HZ LYS 96 HZ1 LYS 96 -11.236 -4.012 -2.980 701 2HZ LYS 96 HZ2 LYS 96 -11.278 -3.667 -1.324 702 3HZ LYS 96 HZ3 LYS 96 -12.266 -4.883 -1.959 703 H VAL 97 HN VAL 97 -5.171 -8.297 -5.647 704 HA VAL 97 HA VAL 97 -3.375 -6.298 -6.822 705 HB VAL 97 HB VAL 97 -2.094 -8.227 -6.309 706 1HG1 VAL 97 1HG1 VAL 97 -4.562 -9.639 -6.842 707 2HG1 VAL 97 2HG1 VAL 97 -3.163 -10.142 -5.894 708 3HG1 VAL 97 3HG1 VAL 97 -3.191 -10.410 -7.636 709 1HG2 VAL 97 1HG2 VAL 97 -2.489 -9.151 -9.033 710 2HG2 VAL 97 2HG2 VAL 97 -1.097 -8.351 -8.304 711 3HG2 VAL 97 3HG2 VAL 97 -2.436 -7.392 -8.932 712 H GLU 98 HN GLU 98 -4.456 -5.239 -8.397 713 HA GLU 98 HA GLU 98 -6.119 -6.847 -10.227 714 1HB GLU 98 HB2 GLU 98 -6.613 -4.006 -9.323 715 2HB GLU 98 HB1 GLU 98 -7.591 -4.892 -10.481 716 1HG GLU 98 HG2 GLU 98 -8.858 -5.440 -8.737 717 2HG GLU 98 HG1 GLU 98 -7.574 -6.577 -8.329 718 H GLU 99 HN GLU 99 -6.668 -4.845 -12.112 719 HA GLU 99 HA GLU 99 -3.980 -4.326 -13.192 720 1HB GLU 99 HB2 GLU 99 -5.456 -6.065 -14.350 721 2HB GLU 99 HB1 GLU 99 -6.445 -4.706 -14.870 722 1HG GLU 99 HG2 GLU 99 -4.556 -3.746 -16.042 723 2HG GLU 99 HG1 GLU 99 -3.514 -5.044 -15.467 724 H ARG 100 HN ARG 100 -3.917 -2.247 -12.237 725 HA ARG 100 HA ARG 100 -5.890 -0.268 -12.803 726 1HB ARG 100 HB2 ARG 100 -4.376 1.298 -11.782 727 2HB ARG 100 HB1 ARG 100 -4.357 -0.188 -10.845 728 1HG ARG 100 HG2 ARG 100 -2.152 -0.220 -11.019 729 2HG ARG 100 HG1 ARG 100 -2.316 -0.449 -12.756 730 1HD ARG 100 HD2 ARG 100 -2.521 2.059 -12.946 731 2HD ARG 100 HD1 ARG 100 -2.047 2.143 -11.251 732 HE ARG 100 HE ARG 100 -0.122 0.619 -12.502 733 1HH1 ARG 100 1HH1 ARG 100 -1.370 3.863 -12.792 734 2HH1 ARG 100 2HH1 ARG 100 0.126 4.522 -13.363 735 1HH2 ARG 100 1HH2 ARG 100 1.848 1.482 -13.250 736 2HH2 ARG 100 2HH2 ARG 100 1.954 3.171 -13.623 737 H GLU 101 HN GLU 101 -6.233 0.689 -14.687 738 HA GLU 101 HA GLU 101 -3.941 1.118 -16.490 739 1HB GLU 101 HB2 GLU 101 -5.435 -0.660 -17.336 740 2HB GLU 101 HB1 GLU 101 -6.783 0.469 -17.294 741 1HG GLU 101 HG2 GLU 101 -6.287 0.864 -19.425 742 2HG GLU 101 HG1 GLU 101 -4.951 1.826 -18.795 743 H LEU 102 HN LEU 102 -3.948 3.172 -15.176 744 HA LEU 102 HA LEU 102 -6.068 5.041 -15.559 745 1HB LEU 102 HB2 LEU 102 -3.316 5.143 -14.403 746 2HB LEU 102 HB1 LEU 102 -4.158 6.641 -14.742 747 HG LEU 102 HG LEU 102 -5.892 6.122 -13.180 748 1HD1 LEU 102 1HD1 LEU 102 -6.465 4.075 -12.495 749 2HD1 LEU 102 2HD1 LEU 102 -4.802 3.649 -12.098 750 3HD1 LEU 102 3HD1 LEU 102 -5.385 3.475 -13.749 751 1HD2 LEU 102 1HD2 LEU 102 -3.909 7.066 -12.206 752 2HD2 LEU 102 2HD2 LEU 102 -3.170 5.469 -12.078 753 3HD2 LEU 102 3HD2 LEU 102 -4.579 5.870 -11.096 754 HA PRO 103 HA PRO 103 -4.930 6.907 -19.387 755 1HB PRO 103 HB2 PRO 103 -5.551 9.509 -18.985 756 2HB PRO 103 HB1 PRO 103 -6.784 8.251 -19.136 757 1HG PRO 103 HG2 PRO 103 -5.679 9.532 -16.666 758 2HG PRO 103 HG1 PRO 103 -7.360 9.137 -17.065 759 1HD PRO 103 HD2 PRO 103 -5.822 7.590 -15.444 760 2HD PRO 103 HD1 PRO 103 -7.115 6.930 -16.464 761 H GLU 104 HN GLU 104 -3.126 7.661 -20.349 762 HA GLU 104 HA GLU 104 -0.975 8.622 -18.651 763 1HB GLU 104 HB2 GLU 104 -0.615 6.843 -20.370 764 2HB GLU 104 HB1 GLU 104 -0.932 8.041 -21.617 765 1HG GLU 104 HG2 GLU 104 0.986 9.350 -20.830 766 2HG GLU 104 HG1 GLU 104 1.312 8.115 -19.615 767 H LEU 105 HN LEU 105 -1.418 10.732 -18.145 768 HA LEU 105 HA LEU 105 -1.736 12.611 -20.389 769 1HB LEU 105 HB2 LEU 105 -2.539 12.762 -17.497 770 2HB LEU 105 HB1 LEU 105 -2.421 14.202 -18.486 771 HG LEU 105 HG LEU 105 -4.227 11.851 -19.054 772 1HD1 LEU 105 1HD1 LEU 105 -5.855 13.964 -18.619 773 2HD1 LEU 105 2HD1 LEU 105 -4.557 14.307 -17.475 774 3HD1 LEU 105 3HD1 LEU 105 -5.424 12.773 -17.392 775 1HD2 LEU 105 1HD2 LEU 105 -3.337 14.080 -20.666 776 2HD2 LEU 105 2HD2 LEU 105 -5.088 14.095 -20.451 777 3HD2 LEU 105 3HD2 LEU 105 -4.294 12.671 -21.121 778 H THR 106 HN THR 106 -0.259 14.182 -20.739 779 HA THR 106 HA THR 106 2.303 13.948 -19.539 780 HB THR 106 HB THR 106 1.311 16.272 -21.189 781 HG1 THR 106 HG1 THR 106 2.574 14.505 -22.697 782 1HG2 THR 106 1HG2 THR 106 4.044 15.050 -20.879 783 2HG2 THR 106 2HG2 THR 106 3.518 16.627 -20.289 784 3HG2 THR 106 3HG2 THR 106 3.620 16.322 -22.024 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -8.054 15.067 -1.757 2 2H GLY 1 HT2 GLY 1 -9.322 14.646 -0.719 3 3H GLY 1 HT3 GLY 1 -8.454 13.439 -1.525 4 1HA GLY 1 HA1 GLY 1 -7.940 14.569 0.987 5 2HA GLY 1 HA2 GLY 1 -7.071 13.276 0.173 6 H SER 2 HN SER 2 -5.989 14.579 -1.984 7 HA SER 2 HA SER 2 -4.276 16.623 -0.727 8 1HB SER 2 HB2 SER 2 -2.402 15.770 -2.063 9 2HB SER 2 HB1 SER 2 -3.067 14.497 -1.039 10 HG SER 2 HG SER 2 -2.662 13.869 -3.254 11 H HIS 3 HN HIS 3 -5.322 15.360 -3.892 12 HA HIS 3 HA HIS 3 -6.001 18.007 -4.791 13 1HB HIS 3 HB2 HIS 3 -3.381 17.308 -5.179 14 2HB HIS 3 HB1 HIS 3 -4.117 16.784 -6.690 15 HD2 HIS 3 HD2 HIS 3 -3.371 20.090 -4.750 16 HE1 HIS 3 HE1 HIS 3 -4.714 21.078 -8.653 17 HE2 HIS 3 HE2 HIS 3 -3.828 21.970 -6.468 18 H MET 4 HN MET 4 -8.002 17.417 -5.408 19 HA MET 4 HA MET 4 -9.675 16.485 -6.635 20 1HB MET 4 HB2 MET 4 -7.391 15.710 -8.458 21 2HB MET 4 HB1 MET 4 -9.094 15.590 -8.876 22 1HG MET 4 HG2 MET 4 -9.101 18.136 -8.253 23 2HG MET 4 HG1 MET 4 -7.376 17.998 -8.584 24 1HE MET 4 HE1 MET 4 -10.580 16.643 -11.512 25 2HE MET 4 HE2 MET 4 -11.024 18.102 -10.626 26 3HE MET 4 HE3 MET 4 -10.635 16.622 -9.749 27 H GLN 5 HN GLN 5 -10.718 14.475 -7.109 28 HA GLN 5 HA GLN 5 -9.909 12.372 -5.366 29 1HB GLN 5 HB2 GLN 5 -11.869 11.159 -6.442 30 2HB GLN 5 HB1 GLN 5 -12.238 12.666 -5.617 31 1HG GLN 5 HG2 GLN 5 -11.625 12.983 -8.456 32 2HG GLN 5 HG1 GLN 5 -13.051 11.999 -8.127 33 1HE2 GLN 5 1HE2 GLN 5 -14.596 12.964 -6.533 34 2HE2 GLN 5 2HE2 GLN 5 -14.887 14.662 -6.645 35 H ALA 6 HN ALA 6 -9.028 10.399 -5.804 36 HA ALA 6 HA ALA 6 -7.462 10.156 -8.179 37 1HB ALA 6 HB1 ALA 6 -6.823 7.949 -7.234 38 2HB ALA 6 HB2 ALA 6 -7.984 8.213 -5.932 39 3HB ALA 6 HB3 ALA 6 -6.598 9.290 -6.110 40 H THR 7 HN THR 7 -7.619 8.559 -9.808 41 HA THR 7 HA THR 7 -10.301 7.363 -10.079 42 HB THR 7 HB THR 7 -8.592 8.270 -12.395 43 HG1 THR 7 HG1 THR 7 -9.622 9.910 -10.727 44 1HG2 THR 7 1HG2 THR 7 -11.519 8.230 -12.585 45 2HG2 THR 7 2HG2 THR 7 -10.739 6.654 -12.459 46 3HG2 THR 7 3HG2 THR 7 -10.291 7.760 -13.758 47 H TRP 8 HN TRP 8 -10.408 5.248 -10.539 48 HA TRP 8 HA TRP 8 -7.998 3.870 -11.478 49 1HB TRP 8 HB2 TRP 8 -9.627 3.141 -9.044 50 2HB TRP 8 HB1 TRP 8 -8.501 2.030 -9.820 51 HD1 TRP 8 HD1 TRP 8 -8.432 5.539 -8.169 52 HE1 TRP 8 HE1 TRP 8 -6.135 5.838 -7.056 53 HE3 TRP 8 HE3 TRP 8 -6.253 1.163 -9.639 54 HZ2 TRP 8 HZ2 TRP 8 -3.701 4.396 -6.830 55 HZ3 TRP 8 HZ3 TRP 8 -3.956 0.702 -8.940 56 HH2 TRP 8 HH2 TRP 8 -2.693 2.269 -7.570 57 H LYS 9 HN LYS 9 -8.373 1.825 -12.462 58 HA LYS 9 HA LYS 9 -11.122 1.054 -13.016 59 1HB LYS 9 HB2 LYS 9 -10.732 0.990 -15.461 60 2HB LYS 9 HB1 LYS 9 -10.698 2.623 -14.810 61 1HG LYS 9 HG2 LYS 9 -8.231 2.540 -14.818 62 2HG LYS 9 HG1 LYS 9 -8.317 0.943 -15.563 63 1HD LYS 9 HD2 LYS 9 -9.601 3.385 -16.765 64 2HD LYS 9 HD1 LYS 9 -7.953 2.884 -17.143 65 1HE LYS 9 HE2 LYS 9 -9.125 1.871 -18.843 66 2HE LYS 9 HE1 LYS 9 -9.079 0.581 -17.642 67 1HZ LYS 9 HZ1 LYS 9 -11.323 1.841 -18.779 68 2HZ LYS 9 HZ2 LYS 9 -11.336 2.118 -17.110 69 3HZ LYS 9 HZ3 LYS 9 -11.277 0.535 -17.704 70 H GLU 10 HN GLU 10 -8.961 -0.108 -11.531 71 HA GLU 10 HA GLU 10 -7.719 -2.153 -13.066 72 1HB GLU 10 HB2 GLU 10 -6.930 -3.000 -10.925 73 2HB GLU 10 HB1 GLU 10 -6.707 -1.264 -11.034 74 1HG GLU 10 HG2 GLU 10 -9.210 -1.565 -9.878 75 2HG GLU 10 HG1 GLU 10 -8.217 -2.810 -9.124 76 H LYS 11 HN LYS 11 -8.247 -4.221 -13.417 77 HA LYS 11 HA LYS 11 -10.955 -5.026 -13.141 78 1HB LYS 11 HB2 LYS 11 -10.240 -7.114 -14.185 79 2HB LYS 11 HB1 LYS 11 -9.550 -5.736 -15.026 80 1HG LYS 11 HG2 LYS 11 -7.425 -6.107 -13.865 81 2HG LYS 11 HG1 LYS 11 -8.124 -7.501 -13.056 82 1HD LYS 11 HD2 LYS 11 -8.600 -7.783 -15.843 83 2HD LYS 11 HD1 LYS 11 -6.899 -7.379 -15.621 84 1HE LYS 11 HE2 LYS 11 -7.012 -9.201 -13.755 85 2HE LYS 11 HE1 LYS 11 -8.430 -9.748 -14.652 86 1HZ LYS 11 HZ1 LYS 11 -7.122 -10.094 -16.580 87 2HZ LYS 11 HZ2 LYS 11 -6.287 -10.819 -15.300 88 3HZ LYS 11 HZ3 LYS 11 -5.775 -9.325 -15.905 89 H ASP 12 HN ASP 12 -10.510 -7.847 -12.516 90 HA ASP 12 HA ASP 12 -9.899 -7.658 -9.644 91 1HB ASP 12 HB2 ASP 12 -12.156 -9.247 -10.878 92 2HB ASP 12 HB1 ASP 12 -11.769 -9.153 -9.162 93 H GLY 13 HN GLY 13 -8.403 -8.682 -12.061 94 1HA GLY 13 HA2 GLY 13 -8.135 -11.513 -11.312 95 2HA GLY 13 HA1 GLY 13 -7.568 -10.804 -12.814 96 H ALA 14 HN ALA 14 -5.520 -11.823 -12.403 97 HA ALA 14 HA ALA 14 -3.980 -11.242 -10.090 98 1HB ALA 14 HB1 ALA 14 -2.229 -12.426 -11.126 99 2HB ALA 14 HB2 ALA 14 -2.862 -12.107 -12.739 100 3HB ALA 14 HB3 ALA 14 -3.715 -13.210 -11.661 101 H VAL 15 HN VAL 15 -1.503 -10.552 -10.905 102 HA VAL 15 HA VAL 15 -1.652 -7.706 -11.147 103 HB VAL 15 HB VAL 15 0.193 -8.752 -9.940 104 1HG1 VAL 15 1HG1 VAL 15 1.076 -9.803 -12.621 105 2HG1 VAL 15 2HG1 VAL 15 0.425 -10.769 -11.298 106 3HG1 VAL 15 3HG1 VAL 15 1.971 -9.942 -11.108 107 1HG2 VAL 15 1HG2 VAL 15 1.689 -7.153 -10.476 108 2HG2 VAL 15 2HG2 VAL 15 0.376 -6.572 -11.493 109 3HG2 VAL 15 3HG2 VAL 15 1.665 -7.548 -12.192 110 H GLU 16 HN GLU 16 -0.751 -6.401 -12.922 111 HA GLU 16 HA GLU 16 -0.542 -7.824 -15.461 112 1HB GLU 16 HB2 GLU 16 -2.438 -5.616 -14.768 113 2HB GLU 16 HB1 GLU 16 -1.775 -5.695 -16.396 114 1HG GLU 16 HG2 GLU 16 -2.557 -8.230 -16.148 115 2HG GLU 16 HG1 GLU 16 -3.704 -7.477 -15.041 116 H ALA 17 HN ALA 17 0.514 -6.558 -17.104 117 HA ALA 17 HA ALA 17 2.966 -5.796 -16.856 118 1HB ALA 17 HB1 ALA 17 1.049 -3.976 -18.307 119 2HB ALA 17 HB2 ALA 17 1.781 -5.444 -18.953 120 3HB ALA 17 HB3 ALA 17 2.791 -4.052 -18.563 121 H GLU 18 HN GLU 18 0.832 -2.936 -16.635 122 HA GLU 18 HA GLU 18 2.566 -1.970 -14.453 123 1HB GLU 18 HB2 GLU 18 2.045 0.319 -15.230 124 2HB GLU 18 HB1 GLU 18 2.880 -0.638 -16.447 125 1HG GLU 18 HG2 GLU 18 1.141 -0.599 -17.867 126 2HG GLU 18 HG1 GLU 18 -0.054 -0.715 -16.577 127 H ASP 19 HN ASP 19 0.940 -3.261 -13.158 128 HA ASP 19 HA ASP 19 -1.595 -1.837 -12.799 129 1HB ASP 19 HB2 ASP 19 -2.513 -3.795 -12.108 130 2HB ASP 19 HB1 ASP 19 -1.216 -4.450 -13.086 131 H ARG 20 HN ARG 20 -2.239 -2.589 -10.227 132 HA ARG 20 HA ARG 20 -0.184 -1.549 -8.452 133 1HB ARG 20 HB2 ARG 20 -2.739 -0.173 -9.100 134 2HB ARG 20 HB1 ARG 20 -2.181 -0.120 -7.437 135 1HG ARG 20 HG2 ARG 20 -0.182 0.579 -9.486 136 2HG ARG 20 HG1 ARG 20 -1.533 1.698 -9.309 137 1HD ARG 20 HD2 ARG 20 -0.656 0.999 -6.709 138 2HD ARG 20 HD1 ARG 20 0.769 1.396 -7.655 139 HE ARG 20 HE ARG 20 -1.024 3.230 -6.582 140 1HH1 ARG 20 1HH1 ARG 20 0.504 2.617 -9.661 141 2HH1 ARG 20 2HH1 ARG 20 0.503 4.281 -10.127 142 1HH2 ARG 20 1HH2 ARG 20 -1.025 5.412 -7.202 143 2HH2 ARG 20 2HH2 ARG 20 -0.361 5.866 -8.736 144 H VAL 21 HN VAL 21 -0.093 -3.014 -6.848 145 HA VAL 21 HA VAL 21 -2.442 -4.614 -6.178 146 HB VAL 21 HB VAL 21 -0.853 -5.935 -4.813 147 1HG1 VAL 21 1HG1 VAL 21 0.184 -7.057 -6.602 148 2HG1 VAL 21 2HG1 VAL 21 0.316 -5.575 -7.557 149 3HG1 VAL 21 3HG1 VAL 21 -1.260 -6.320 -7.301 150 1HG2 VAL 21 1HG2 VAL 21 1.306 -4.202 -5.987 151 2HG2 VAL 21 2HG2 VAL 21 1.458 -5.474 -4.783 152 3HG2 VAL 21 3HG2 VAL 21 0.652 -3.970 -4.364 153 H THR 22 HN THR 22 -2.626 -5.164 -3.748 154 HA THR 22 HA THR 22 -2.232 -2.721 -2.143 155 HB THR 22 HB THR 22 -4.544 -4.673 -2.015 156 HG1 THR 22 HG1 THR 22 -5.502 -3.290 -3.237 157 1HG2 THR 22 1HG2 THR 22 -3.503 -2.913 -0.002 158 2HG2 THR 22 2HG2 THR 22 -4.852 -4.051 0.080 159 3HG2 THR 22 3HG2 THR 22 -5.122 -2.406 -0.495 160 H ILE 23 HN ILE 23 -0.682 -3.132 -0.685 161 HA ILE 23 HA ILE 23 -0.655 -5.817 0.535 162 HB ILE 23 HB ILE 23 1.848 -5.465 0.733 163 1HG1 ILE 23 2HG1 ILE 23 1.206 -3.382 -1.354 164 2HG1 ILE 23 1HG1 ILE 23 1.967 -3.112 0.208 165 1HG2 ILE 23 1HG2 ILE 23 1.338 -5.690 -2.143 166 2HG2 ILE 23 2HG2 ILE 23 0.336 -6.724 -1.135 167 3HG2 ILE 23 3HG2 ILE 23 2.097 -6.837 -1.036 168 1HD1 ILE 23 1HD1 ILE 23 3.195 -3.621 -2.261 169 2HD1 ILE 23 2HD1 ILE 23 3.477 -5.029 -1.240 170 3HD1 ILE 23 3HD1 ILE 23 3.957 -3.427 -0.681 171 H ASP 24 HN ASP 24 0.273 -6.016 2.585 172 HA ASP 24 HA ASP 24 0.377 -3.565 4.232 173 1HB ASP 24 HB2 ASP 24 -1.650 -4.740 4.842 174 2HB ASP 24 HB1 ASP 24 -0.815 -6.287 4.867 175 H PHE 25 HN PHE 25 2.411 -3.367 5.197 176 HA PHE 25 HA PHE 25 3.887 -5.851 5.673 177 1HB PHE 25 HB2 PHE 25 5.856 -5.136 4.569 178 2HB PHE 25 HB1 PHE 25 4.517 -4.924 3.458 179 HD1 PHE 25 HD1 PHE 25 4.388 -2.967 2.254 180 HD2 PHE 25 HD2 PHE 25 6.474 -2.982 5.969 181 HE1 PHE 25 HE1 PHE 25 5.014 -0.605 1.931 182 HE2 PHE 25 HE2 PHE 25 7.099 -0.621 5.631 183 HZ PHE 25 HZ PHE 25 6.359 0.558 3.604 184 H THR 26 HN THR 26 5.851 -5.605 6.902 185 HA THR 26 HA THR 26 6.022 -3.230 8.592 186 HB THR 26 HB THR 26 5.554 -6.011 9.676 187 HG1 THR 26 HG1 THR 26 3.938 -3.834 9.263 188 1HG2 THR 26 1HG2 THR 26 7.176 -4.785 11.056 189 2HG2 THR 26 2HG2 THR 26 5.648 -5.075 11.888 190 3HG2 THR 26 3HG2 THR 26 6.005 -3.478 11.231 191 H GLY 27 HN GLY 27 8.099 -2.657 8.496 192 1HA GLY 27 HA2 GLY 27 10.162 -4.544 9.195 193 2HA GLY 27 HA1 GLY 27 10.219 -4.044 7.518 194 H SER 28 HN SER 28 12.352 -3.582 9.043 195 HA SER 28 HA SER 28 12.231 -0.721 9.764 196 1HB SER 28 HB2 SER 28 14.682 -2.047 10.563 197 2HB SER 28 HB1 SER 28 13.477 -1.252 11.564 198 HG SER 28 HG SER 28 13.226 -3.246 12.243 199 H VAL 29 HN VAL 29 14.468 0.332 9.523 200 HA VAL 29 HA VAL 29 15.485 -0.235 6.837 201 HB VAL 29 HB VAL 29 14.569 1.907 6.698 202 1HG1 VAL 29 1HG1 VAL 29 14.986 2.039 9.486 203 2HG1 VAL 29 2HG1 VAL 29 14.074 3.141 8.460 204 3HG1 VAL 29 3HG1 VAL 29 15.783 3.437 8.768 205 1HG2 VAL 29 1HG2 VAL 29 16.347 2.776 5.711 206 2HG2 VAL 29 2HG2 VAL 29 17.383 1.657 6.591 207 3HG2 VAL 29 3HG2 VAL 29 17.020 3.240 7.272 208 H ASP 30 HN ASP 30 16.907 1.670 9.496 209 HA ASP 30 HA ASP 30 19.390 0.187 9.099 210 1HB ASP 30 HB2 ASP 30 20.360 1.982 10.575 211 2HB ASP 30 HB1 ASP 30 19.673 2.570 9.063 212 H GLY 31 HN GLY 31 17.309 -1.228 10.327 213 1HA GLY 31 HA2 GLY 31 17.492 -2.834 12.061 214 2HA GLY 31 HA1 GLY 31 18.528 -1.723 12.946 215 H GLU 32 HN GLU 32 16.302 0.335 12.043 216 HA GLU 32 HA GLU 32 14.314 -0.384 14.080 217 1HB GLU 32 HB2 GLU 32 15.585 2.347 13.816 218 2HB GLU 32 HB1 GLU 32 14.344 1.885 14.972 219 1HG GLU 32 HG2 GLU 32 16.690 0.178 15.102 220 2HG GLU 32 HG1 GLU 32 17.056 1.874 15.407 221 H GLU 33 HN GLU 33 12.357 -0.339 13.208 222 HA GLU 33 HA GLU 33 11.777 0.510 10.644 223 1HB GLU 33 HB2 GLU 33 9.386 0.292 11.324 224 2HB GLU 33 HB1 GLU 33 10.371 -1.114 11.702 225 1HG GLU 33 HG2 GLU 33 10.240 -0.775 13.955 226 2HG GLU 33 HG1 GLU 33 10.010 0.964 13.795 227 H PHE 34 HN PHE 34 11.601 2.432 9.799 228 HA PHE 34 HA PHE 34 11.475 4.777 11.423 229 1HB PHE 34 HB2 PHE 34 12.006 5.947 9.424 230 2HB PHE 34 HB1 PHE 34 12.959 4.473 9.430 231 HD1 PHE 34 HD1 PHE 34 11.310 2.428 8.305 232 HD2 PHE 34 HD2 PHE 34 11.444 6.564 7.303 233 HE1 PHE 34 HE1 PHE 34 10.476 1.908 6.057 234 HE2 PHE 34 HE2 PHE 34 10.608 6.043 5.047 235 HZ PHE 34 HZ PHE 34 10.120 3.714 4.427 236 H GLU 35 HN GLU 35 10.089 6.031 8.981 237 HA GLU 35 HA GLU 35 7.519 6.285 10.183 238 1HB GLU 35 HB2 GLU 35 8.506 7.196 7.472 239 2HB GLU 35 HB1 GLU 35 6.992 7.685 8.218 240 1HG GLU 35 HG2 GLU 35 8.026 9.369 9.195 241 2HG GLU 35 HG1 GLU 35 9.051 8.231 10.070 242 H GLY 36 HN GLY 36 8.588 5.057 7.016 243 1HA GLY 36 HA2 GLY 36 6.044 3.714 6.621 244 2HA GLY 36 HA1 GLY 36 7.369 3.798 5.473 245 H GLY 37 HN GLY 37 8.037 2.781 8.737 246 1HA GLY 37 HA2 GLY 37 9.220 0.384 7.951 247 2HA GLY 37 HA1 GLY 37 8.655 0.738 9.579 248 H LYS 38 HN LYS 38 5.969 0.939 9.306 249 HA LYS 38 HA LYS 38 5.191 -1.662 8.178 250 1HB LYS 38 HB2 LYS 38 3.658 -1.980 10.026 251 2HB LYS 38 HB1 LYS 38 5.281 -1.708 10.645 252 1HG LYS 38 HG2 LYS 38 4.423 -0.150 11.963 253 2HG LYS 38 HG1 LYS 38 4.144 0.826 10.521 254 1HD LYS 38 HD2 LYS 38 1.956 -0.531 10.306 255 2HD LYS 38 HD1 LYS 38 2.234 -0.954 11.996 256 1HE LYS 38 HE2 LYS 38 2.432 1.520 12.455 257 2HE LYS 38 HE1 LYS 38 1.847 1.788 10.814 258 1HZ LYS 38 HZ1 LYS 38 0.087 -0.001 11.969 259 2HZ LYS 38 HZ2 LYS 38 -0.195 1.630 11.623 260 3HZ LYS 38 HZ3 LYS 38 0.371 1.176 13.151 261 H ALA 39 HN ALA 39 3.486 -1.720 6.885 262 HA ALA 39 HA ALA 39 1.662 0.583 6.787 263 1HB ALA 39 HB1 ALA 39 2.532 1.185 4.818 264 2HB ALA 39 HB2 ALA 39 1.830 -0.291 4.153 265 3HB ALA 39 HB3 ALA 39 3.506 -0.284 4.715 266 H SER 40 HN SER 40 -0.437 0.073 5.858 267 HA SER 40 HA SER 40 -1.069 -2.791 6.104 268 1HB SER 40 HB2 SER 40 -3.460 -1.803 6.532 269 2HB SER 40 HB1 SER 40 -2.273 -1.827 7.835 270 HG SER 40 HG SER 40 -3.285 0.320 6.382 271 H ASP 41 HN ASP 41 -2.313 0.151 4.499 272 HA ASP 41 HA ASP 41 -3.180 -1.493 2.261 273 1HB ASP 41 HB2 ASP 41 -4.512 0.550 1.637 274 2HB ASP 41 HB1 ASP 41 -5.003 -0.192 3.156 275 H PHE 42 HN PHE 42 -0.805 -1.548 1.760 276 HA PHE 42 HA PHE 42 0.240 0.976 0.736 277 1HB PHE 42 HB2 PHE 42 1.839 -0.303 2.013 278 2HB PHE 42 HB1 PHE 42 1.523 -1.746 1.060 279 HD1 PHE 42 HD1 PHE 42 4.042 -1.880 0.743 280 HD2 PHE 42 HD2 PHE 42 1.691 1.365 -0.756 281 HE1 PHE 42 HE1 PHE 42 5.852 -1.244 -0.785 282 HE2 PHE 42 HE2 PHE 42 3.519 1.987 -2.272 283 HZ PHE 42 HZ PHE 42 5.602 0.681 -2.289 284 H VAL 43 HN VAL 43 -0.596 1.491 -1.197 285 HA VAL 43 HA VAL 43 -1.277 -0.528 -3.121 286 HB VAL 43 HB VAL 43 -2.644 1.485 -2.790 287 1HG1 VAL 43 1HG1 VAL 43 -0.192 2.834 -2.923 288 2HG1 VAL 43 2HG1 VAL 43 -1.799 3.525 -2.712 289 3HG1 VAL 43 3HG1 VAL 43 -1.120 3.355 -4.330 290 1HG2 VAL 43 1HG2 VAL 43 -1.797 0.358 -5.255 291 2HG2 VAL 43 2HG2 VAL 43 -2.062 2.082 -5.504 292 3HG2 VAL 43 3HG2 VAL 43 -3.355 1.078 -4.854 293 H LEU 44 HN LEU 44 0.532 -1.515 -3.903 294 HA LEU 44 HA LEU 44 2.780 0.083 -4.810 295 1HB LEU 44 HB2 LEU 44 2.496 -2.496 -3.774 296 2HB LEU 44 HB1 LEU 44 2.925 -2.737 -5.456 297 HG LEU 44 HG LEU 44 4.512 -1.361 -3.310 298 1HD1 LEU 44 1HD1 LEU 44 5.289 -3.469 -3.272 299 2HD1 LEU 44 2HD1 LEU 44 6.195 -2.934 -4.687 300 3HD1 LEU 44 3HD1 LEU 44 4.694 -3.828 -4.894 301 1HD2 LEU 44 1HD2 LEU 44 4.762 0.182 -5.046 302 2HD2 LEU 44 2HD2 LEU 44 4.742 -1.072 -6.286 303 3HD2 LEU 44 3HD2 LEU 44 6.144 -0.898 -5.231 304 H ALA 45 HN ALA 45 3.384 0.372 -6.890 305 HA ALA 45 HA ALA 45 1.422 -0.396 -8.940 306 1HB ALA 45 HB1 ALA 45 1.924 1.508 -10.081 307 2HB ALA 45 HB2 ALA 45 3.609 1.512 -9.563 308 3HB ALA 45 HB3 ALA 45 2.347 2.052 -8.457 309 H MET 46 HN MET 46 2.011 -2.354 -9.789 310 HA MET 46 HA MET 46 4.707 -3.206 -10.007 311 1HB MET 46 HB2 MET 46 2.114 -4.326 -10.408 312 2HB MET 46 HB1 MET 46 3.111 -4.692 -11.807 313 1HG MET 46 HG2 MET 46 4.241 -5.099 -9.098 314 2HG MET 46 HG1 MET 46 3.058 -6.250 -9.702 315 1HE MET 46 HE1 MET 46 3.750 -8.066 -11.892 316 2HE MET 46 HE2 MET 46 4.767 -7.283 -13.101 317 3HE MET 46 HE3 MET 46 3.316 -6.473 -12.509 318 H GLY 47 HN GLY 47 5.864 -1.745 -11.144 319 1HA GLY 47 HA2 GLY 47 6.983 -1.275 -13.165 320 2HA GLY 47 HA1 GLY 47 5.613 -1.933 -14.045 321 H GLN 48 HN GLN 48 6.345 0.787 -11.863 322 HA GLN 48 HA GLN 48 4.824 2.526 -13.694 323 1HB GLN 48 HB2 GLN 48 3.667 2.096 -11.512 324 2HB GLN 48 HB1 GLN 48 5.025 2.858 -10.697 325 1HG GLN 48 HG2 GLN 48 4.235 4.682 -12.649 326 2HG GLN 48 HG1 GLN 48 2.736 4.051 -11.969 327 1HE2 GLN 48 1HE2 GLN 48 2.093 5.743 -10.768 328 2HE2 GLN 48 2HE2 GLN 48 2.994 6.413 -9.455 329 H GLY 49 HN GLY 49 7.060 2.859 -10.929 330 1HA GLY 49 HA2 GLY 49 8.453 4.985 -12.405 331 2HA GLY 49 HA1 GLY 49 8.562 4.696 -10.673 332 H ARG 50 HN ARG 50 9.320 2.264 -10.284 333 HA ARG 50 HA ARG 50 11.102 1.039 -12.038 334 1HB ARG 50 HB2 ARG 50 13.267 1.693 -11.221 335 2HB ARG 50 HB1 ARG 50 12.409 3.138 -11.731 336 1HG ARG 50 HG2 ARG 50 12.746 4.051 -9.746 337 2HG ARG 50 HG1 ARG 50 11.864 2.729 -8.977 338 1HD ARG 50 HD2 ARG 50 14.270 3.155 -8.217 339 2HD ARG 50 HD1 ARG 50 13.811 1.497 -8.591 340 HE ARG 50 HE ARG 50 15.083 3.072 -10.696 341 1HH1 ARG 50 1HH1 ARG 50 15.358 0.544 -8.296 342 2HH1 ARG 50 2HH1 ARG 50 16.778 -0.142 -9.008 343 1HH2 ARG 50 1HH2 ARG 50 16.949 2.167 -11.623 344 2HH2 ARG 50 2HH2 ARG 50 17.681 0.778 -10.893 345 H MET 51 HN MET 51 9.467 -0.333 -10.799 346 HA MET 51 HA MET 51 9.562 -0.987 -8.157 347 1HB MET 51 HB2 MET 51 8.008 -1.963 -9.830 348 2HB MET 51 HB1 MET 51 9.316 -2.993 -10.398 349 1HG MET 51 HG2 MET 51 9.259 -4.325 -8.558 350 2HG MET 51 HG1 MET 51 8.663 -3.045 -7.509 351 1HE MET 51 HE1 MET 51 6.707 -2.313 -7.146 352 2HE MET 51 HE2 MET 51 5.400 -3.480 -6.926 353 3HE MET 51 HE3 MET 51 5.360 -2.359 -8.286 354 H ILE 52 HN ILE 52 11.191 -1.445 -6.883 355 HA ILE 52 HA ILE 52 13.714 -2.362 -7.823 356 HB ILE 52 HB ILE 52 14.009 -2.838 -5.220 357 1HG1 ILE 52 2HG1 ILE 52 11.787 -0.782 -5.288 358 2HG1 ILE 52 1HG1 ILE 52 11.617 -2.432 -4.696 359 1HG2 ILE 52 1HG2 ILE 52 14.537 -0.331 -5.021 360 2HG2 ILE 52 2HG2 ILE 52 14.046 -0.248 -6.713 361 3HG2 ILE 52 3HG2 ILE 52 15.394 -1.281 -6.235 362 1HD1 ILE 52 1HD1 ILE 52 13.198 -1.977 -2.921 363 2HD1 ILE 52 2HD1 ILE 52 11.881 -0.803 -2.891 364 3HD1 ILE 52 3HD1 ILE 52 13.455 -0.347 -3.545 365 HA PRO 53 HA PRO 53 13.564 -6.748 -7.822 366 1HB PRO 53 HB2 PRO 53 15.636 -7.383 -6.074 367 2HB PRO 53 HB1 PRO 53 15.816 -7.041 -7.797 368 1HG PRO 53 HG2 PRO 53 16.231 -5.241 -5.452 369 2HG PRO 53 HG1 PRO 53 17.158 -5.355 -6.958 370 1HD PRO 53 HD2 PRO 53 15.419 -3.366 -6.555 371 2HD PRO 53 HD1 PRO 53 15.597 -4.114 -8.156 372 H GLY 54 HN GLY 54 13.525 -5.069 -4.774 373 1HA GLY 54 HA2 GLY 54 12.900 -7.289 -3.120 374 2HA GLY 54 HA1 GLY 54 12.660 -5.597 -2.723 375 H PHE 55 HN PHE 55 10.802 -4.653 -4.307 376 HA PHE 55 HA PHE 55 8.464 -5.919 -3.357 377 1HB PHE 55 HB2 PHE 55 8.906 -3.610 -5.234 378 2HB PHE 55 HB1 PHE 55 7.302 -4.192 -4.822 379 HD1 PHE 55 HD1 PHE 55 6.906 -4.424 -2.156 380 HD2 PHE 55 HD2 PHE 55 9.742 -1.851 -4.031 381 HE1 PHE 55 HE1 PHE 55 6.946 -3.022 -0.163 382 HE2 PHE 55 HE2 PHE 55 9.773 -0.438 -2.026 383 HZ PHE 55 HZ PHE 55 8.375 -1.022 -0.094 384 H GLU 56 HN GLU 56 9.868 -5.631 -6.617 385 HA GLU 56 HA GLU 56 7.829 -6.853 -8.045 386 1HB GLU 56 HB2 GLU 56 9.463 -7.380 -9.745 387 2HB GLU 56 HB1 GLU 56 9.811 -5.792 -9.087 388 1HG GLU 56 HG2 GLU 56 11.698 -6.533 -7.957 389 2HG GLU 56 HG1 GLU 56 11.203 -8.222 -8.047 390 H ASP 57 HN ASP 57 10.045 -8.232 -5.796 391 HA ASP 57 HA ASP 57 9.798 -10.927 -6.727 392 1HB ASP 57 HB2 ASP 57 11.610 -9.722 -5.158 393 2HB ASP 57 HB1 ASP 57 10.578 -10.402 -3.908 394 H GLY 58 HN GLY 58 8.937 -9.766 -3.464 395 1HA GLY 58 HA2 GLY 58 6.997 -11.790 -3.121 396 2HA GLY 58 HA1 GLY 58 7.228 -10.396 -2.079 397 H ILE 59 HN ILE 59 6.603 -8.291 -3.587 398 HA ILE 59 HA ILE 59 3.766 -8.540 -3.885 399 HB ILE 59 HB ILE 59 5.455 -6.087 -4.402 400 1HG1 ILE 59 2HG1 ILE 59 4.873 -5.602 -1.946 401 2HG1 ILE 59 1HG1 ILE 59 4.601 -7.315 -1.789 402 1HG2 ILE 59 1HG2 ILE 59 2.811 -6.037 -3.088 403 2HG2 ILE 59 2HG2 ILE 59 2.849 -6.471 -4.795 404 3HG2 ILE 59 3HG2 ILE 59 3.509 -4.926 -4.262 405 1HD1 ILE 59 1HD1 ILE 59 6.916 -6.083 -1.268 406 2HD1 ILE 59 2HD1 ILE 59 7.159 -6.517 -2.955 407 3HD1 ILE 59 3HD1 ILE 59 6.798 -7.766 -1.773 408 H LYS 60 HN LYS 60 5.123 -9.982 -5.683 409 HA LYS 60 HA LYS 60 5.482 -8.878 -8.264 410 1HB LYS 60 HB2 LYS 60 4.842 -11.573 -7.232 411 2HB LYS 60 HB1 LYS 60 4.257 -11.262 -8.863 412 1HG LYS 60 HG2 LYS 60 6.681 -10.399 -9.264 413 2HG LYS 60 HG1 LYS 60 7.051 -11.376 -7.843 414 1HD LYS 60 HD2 LYS 60 5.400 -12.900 -9.601 415 2HD LYS 60 HD1 LYS 60 6.736 -12.218 -10.531 416 1HE LYS 60 HE2 LYS 60 6.938 -13.892 -8.030 417 2HE LYS 60 HE1 LYS 60 7.373 -14.381 -9.666 418 1HZ LYS 60 HZ1 LYS 60 9.237 -13.662 -8.123 419 2HZ LYS 60 HZ2 LYS 60 8.680 -12.081 -8.340 420 3HZ LYS 60 HZ3 LYS 60 9.218 -12.976 -9.670 421 H GLY 61 HN GLY 61 2.654 -10.280 -6.753 422 1HA GLY 61 HA2 GLY 61 0.512 -9.083 -6.707 423 2HA GLY 61 HA1 GLY 61 0.883 -8.540 -8.342 424 H HIS 62 HN HIS 62 1.281 -11.655 -6.822 425 HA HIS 62 HA HIS 62 -0.574 -12.821 -8.807 426 1HB HIS 62 HB2 HIS 62 0.859 -14.792 -8.938 427 2HB HIS 62 HB1 HIS 62 1.749 -13.341 -9.379 428 HD2 HIS 62 HD2 HIS 62 2.336 -12.662 -6.030 429 HE1 HIS 62 HE1 HIS 62 4.706 -16.148 -6.469 430 HE2 HIS 62 HE2 HIS 62 4.324 -14.044 -5.137 431 H LYS 63 HN LYS 63 0.349 -12.674 -5.490 432 HA LYS 63 HA LYS 63 -1.559 -14.838 -4.894 433 1HB LYS 63 HB2 LYS 63 1.040 -14.078 -3.655 434 2HB LYS 63 HB1 LYS 63 -0.217 -14.724 -2.614 435 1HG LYS 63 HG2 LYS 63 -0.118 -16.800 -3.530 436 2HG LYS 63 HG1 LYS 63 0.419 -16.202 -5.102 437 1HD LYS 63 HD2 LYS 63 2.580 -15.540 -3.843 438 2HD LYS 63 HD1 LYS 63 2.015 -16.670 -2.611 439 1HE LYS 63 HE2 LYS 63 1.874 -17.746 -5.318 440 2HE LYS 63 HE1 LYS 63 3.512 -17.314 -4.823 441 1HZ LYS 63 HZ1 LYS 63 1.774 -19.419 -3.840 442 2HZ LYS 63 HZ2 LYS 63 2.651 -18.593 -2.653 443 3HZ LYS 63 HZ3 LYS 63 3.463 -19.357 -3.924 444 H ALA 64 HN ALA 64 -3.323 -13.351 -4.904 445 HA ALA 64 HA ALA 64 -3.469 -11.031 -3.326 446 1HB ALA 64 HB1 ALA 64 -5.330 -10.897 -4.541 447 2HB ALA 64 HB2 ALA 64 -6.056 -12.082 -3.455 448 3HB ALA 64 HB3 ALA 64 -5.260 -12.615 -4.935 449 H GLY 65 HN GLY 65 -2.760 -11.295 -1.218 450 1HA GLY 65 HA2 GLY 65 -3.659 -11.539 1.016 451 2HA GLY 65 HA1 GLY 65 -4.477 -12.996 0.472 452 H GLU 66 HN GLU 66 -1.133 -12.208 -0.246 453 HA GLU 66 HA GLU 66 -0.305 -14.639 1.166 454 1HB GLU 66 HB2 GLU 66 0.294 -14.321 -1.221 455 2HB GLU 66 HB1 GLU 66 1.248 -12.921 -0.774 456 1HG GLU 66 HG2 GLU 66 2.618 -14.435 0.670 457 2HG GLU 66 HG1 GLU 66 1.739 -15.792 -0.032 458 H GLU 67 HN GLU 67 1.744 -14.619 2.345 459 HA GLU 67 HA GLU 67 2.407 -12.016 3.539 460 1HB GLU 67 HB2 GLU 67 2.740 -13.206 5.724 461 2HB GLU 67 HB1 GLU 67 1.065 -13.114 5.198 462 1HG GLU 67 HG2 GLU 67 2.197 -15.516 4.181 463 2HG GLU 67 HG1 GLU 67 2.569 -15.399 5.901 464 H PHE 68 HN PHE 68 4.397 -11.611 2.853 465 HA PHE 68 HA PHE 68 6.463 -13.680 3.153 466 1HB PHE 68 HB2 PHE 68 7.376 -12.966 0.911 467 2HB PHE 68 HB1 PHE 68 5.845 -13.843 0.842 468 HD1 PHE 68 HD1 PHE 68 3.939 -12.869 -0.108 469 HD2 PHE 68 HD2 PHE 68 7.335 -10.470 0.784 470 HE1 PHE 68 HE1 PHE 68 2.901 -10.975 -1.284 471 HE2 PHE 68 HE2 PHE 68 6.311 -8.569 -0.393 472 HZ PHE 68 HZ PHE 68 4.086 -8.835 -1.439 473 H THR 69 HN THR 69 8.691 -12.730 2.862 474 HA THR 69 HA THR 69 8.772 -9.930 3.730 475 HB THR 69 HB THR 69 10.683 -12.044 4.705 476 HG1 THR 69 HG1 THR 69 9.438 -12.317 6.452 477 1HG2 THR 69 1HG2 THR 69 10.702 -10.247 6.638 478 2HG2 THR 69 2HG2 THR 69 10.269 -9.176 5.306 479 3HG2 THR 69 3HG2 THR 69 11.756 -10.119 5.231 480 H ILE 70 HN ILE 70 10.068 -8.615 2.555 481 HA ILE 70 HA ILE 70 12.217 -9.895 1.000 482 HB ILE 70 HB ILE 70 11.709 -8.565 -0.961 483 1HG1 ILE 70 2HG1 ILE 70 10.644 -6.661 0.279 484 2HG1 ILE 70 1HG1 ILE 70 9.761 -7.169 -1.155 485 1HG2 ILE 70 1HG2 ILE 70 10.618 -10.828 -0.483 486 2HG2 ILE 70 2HG2 ILE 70 9.936 -9.841 -1.775 487 3HG2 ILE 70 3HG2 ILE 70 9.140 -9.908 -0.204 488 1HD1 ILE 70 1HD1 ILE 70 8.982 -7.233 1.671 489 2HD1 ILE 70 2HD1 ILE 70 8.534 -8.658 0.732 490 3HD1 ILE 70 3HD1 ILE 70 7.996 -7.058 0.221 491 H ASP 71 HN ASP 71 13.770 -8.267 0.107 492 HA ASP 71 HA ASP 71 14.270 -6.212 2.129 493 1HB ASP 71 HB2 ASP 71 16.528 -6.086 1.059 494 2HB ASP 71 HB1 ASP 71 16.155 -7.686 1.695 495 H VAL 72 HN VAL 72 14.508 -3.994 1.501 496 HA VAL 72 HA VAL 72 14.079 -3.383 -1.306 497 HB VAL 72 HB VAL 72 12.317 -1.630 -0.571 498 1HG1 VAL 72 1HG1 VAL 72 11.863 -3.434 -2.116 499 2HG1 VAL 72 2HG1 VAL 72 10.510 -3.244 -1.001 500 3HG1 VAL 72 3HG1 VAL 72 11.657 -4.565 -0.778 501 1HG2 VAL 72 1HG2 VAL 72 10.933 -3.127 1.272 502 2HG2 VAL 72 2HG2 VAL 72 11.850 -1.661 1.613 503 3HG2 VAL 72 3HG2 VAL 72 12.596 -3.241 1.842 504 H THR 73 HN THR 73 15.080 -1.539 -1.955 505 HA THR 73 HA THR 73 15.808 0.491 -0.028 506 HB THR 73 HB THR 73 17.804 -1.204 -1.538 507 HG1 THR 73 HG1 THR 73 18.657 -1.523 0.436 508 1HG2 THR 73 1HG2 THR 73 18.888 0.691 -2.060 509 2HG2 THR 73 2HG2 THR 73 19.397 0.611 -0.374 510 3HG2 THR 73 3HG2 THR 73 18.045 1.642 -0.838 511 H PHE 74 HN PHE 74 15.380 2.406 -1.000 512 HA PHE 74 HA PHE 74 14.826 2.400 -3.825 513 1HB PHE 74 HB2 PHE 74 14.473 4.444 -1.656 514 2HB PHE 74 HB1 PHE 74 14.124 4.784 -3.350 515 HD1 PHE 74 HD1 PHE 74 13.409 2.076 -0.871 516 HD2 PHE 74 HD2 PHE 74 11.946 4.575 -3.977 517 HE1 PHE 74 HE1 PHE 74 11.178 1.059 -0.633 518 HE2 PHE 74 HE2 PHE 74 9.712 3.575 -3.750 519 HZ PHE 74 HZ PHE 74 9.325 1.816 -2.076 520 HA PRO 75 HA PRO 75 18.864 3.860 -4.965 521 1HB PRO 75 HB2 PRO 75 18.288 4.550 -7.529 522 2HB PRO 75 HB1 PRO 75 18.494 2.874 -7.005 523 1HG PRO 75 HG2 PRO 75 15.965 4.427 -7.423 524 2HG PRO 75 HG1 PRO 75 16.353 2.768 -7.916 525 1HD PRO 75 HD2 PRO 75 14.876 3.302 -5.732 526 2HD PRO 75 HD1 PRO 75 15.987 1.918 -5.802 527 H GLU 76 HN GLU 76 19.733 5.815 -6.278 528 HA GLU 76 HA GLU 76 18.844 8.182 -4.933 529 1HB GLU 76 HB2 GLU 76 21.071 7.458 -6.768 530 2HB GLU 76 HB1 GLU 76 20.627 9.156 -6.668 531 1HG GLU 76 HG2 GLU 76 20.789 8.145 -4.026 532 2HG GLU 76 HG1 GLU 76 22.231 7.626 -4.898 533 H GLU 77 HN GLU 77 17.883 6.644 -7.778 534 HA GLU 77 HA GLU 77 17.165 9.075 -9.188 535 1HB GLU 77 HB2 GLU 77 16.234 7.521 -10.891 536 2HB GLU 77 HB1 GLU 77 17.933 7.241 -10.542 537 1HG GLU 77 HG2 GLU 77 17.290 5.368 -9.073 538 2HG GLU 77 HG1 GLU 77 15.605 5.627 -9.523 539 H TYR 78 HN TYR 78 15.648 6.624 -7.207 540 HA TYR 78 HA TYR 78 12.952 7.308 -7.819 541 1HB TYR 78 HB2 TYR 78 13.932 5.180 -6.657 542 2HB TYR 78 HB1 TYR 78 13.783 6.127 -5.183 543 HD1 TYR 78 HD1 TYR 78 12.146 3.945 -7.407 544 HD2 TYR 78 HD2 TYR 78 11.422 7.160 -4.711 545 HE1 TYR 78 HE1 TYR 78 9.787 3.279 -7.256 546 HE2 TYR 78 HE2 TYR 78 9.059 6.504 -4.559 547 HH TYR 78 HH TYR 78 7.828 3.934 -5.032 548 H HIS 79 HN HIS 79 14.667 7.736 -4.751 549 HA HIS 79 HA HIS 79 14.232 9.164 -3.025 550 1HB HIS 79 HB2 HIS 79 15.121 10.766 -5.376 551 2HB HIS 79 HB1 HIS 79 14.768 11.578 -3.852 552 HD2 HIS 79 HD2 HIS 79 16.364 8.139 -3.350 553 HE1 HIS 79 HE1 HIS 79 19.461 11.016 -2.957 554 HE2 HIS 79 HE2 HIS 79 18.784 8.618 -2.571 555 H ALA 80 HN ALA 80 11.901 8.657 -2.879 556 HA ALA 80 HA ALA 80 10.065 10.610 -3.987 557 1HB ALA 80 HB1 ALA 80 9.803 7.964 -3.282 558 2HB ALA 80 HB2 ALA 80 8.481 9.071 -3.647 559 3HB ALA 80 HB3 ALA 80 8.972 8.810 -1.976 560 H GLU 81 HN GLU 81 8.970 12.163 -2.844 561 HA GLU 81 HA GLU 81 10.180 13.560 -0.856 562 1HB GLU 81 HB2 GLU 81 7.264 13.325 -1.548 563 2HB GLU 81 HB1 GLU 81 7.841 14.448 -0.325 564 1HG GLU 81 HG2 GLU 81 8.375 15.924 -1.876 565 2HG GLU 81 HG1 GLU 81 9.416 14.752 -2.684 566 H ASN 82 HN ASN 82 8.186 10.707 -0.392 567 HA ASN 82 HA ASN 82 8.059 11.210 2.475 568 1HB ASN 82 HB2 ASN 82 6.624 9.151 2.502 569 2HB ASN 82 HB1 ASN 82 6.002 10.486 1.540 570 1HD2 ASN 82 1HD2 ASN 82 7.888 7.515 1.289 571 2HD2 ASN 82 2HD2 ASN 82 7.323 7.079 -0.283 572 H LEU 83 HN LEU 83 9.571 8.853 0.283 573 HA LEU 83 HA LEU 83 11.120 7.929 2.604 574 1HB LEU 83 HB2 LEU 83 10.785 5.679 2.188 575 2HB LEU 83 HB1 LEU 83 9.204 6.390 1.984 576 HG LEU 83 HG LEU 83 9.177 5.019 0.182 577 1HD1 LEU 83 1HD1 LEU 83 10.914 6.906 -1.323 578 2HD1 LEU 83 2HD1 LEU 83 9.397 7.493 -0.648 579 3HD1 LEU 83 3HD1 LEU 83 9.390 6.148 -1.785 580 1HD2 LEU 83 1HD2 LEU 83 11.068 4.157 -0.947 581 2HD2 LEU 83 2HD2 LEU 83 11.365 4.062 0.782 582 3HD2 LEU 83 3HD2 LEU 83 12.136 5.324 -0.185 583 H LYS 84 HN LYS 84 11.635 9.625 0.154 584 HA LYS 84 HA LYS 84 13.186 8.639 -1.776 585 1HB LYS 84 HB2 LYS 84 14.577 10.674 -1.675 586 2HB LYS 84 HB1 LYS 84 12.862 11.021 -1.522 587 1HG LYS 84 HG2 LYS 84 13.804 10.659 1.090 588 2HG LYS 84 HG1 LYS 84 15.014 11.642 0.266 589 1HD LYS 84 HD2 LYS 84 12.069 12.256 0.163 590 2HD LYS 84 HD1 LYS 84 13.135 12.897 1.414 591 1HE LYS 84 HE2 LYS 84 13.505 14.589 0.003 592 2HE LYS 84 HE1 LYS 84 14.512 13.454 -0.893 593 1HZ LYS 84 HZ1 LYS 84 12.097 14.688 -1.686 594 2HZ LYS 84 HZ2 LYS 84 11.903 13.008 -1.711 595 3HZ LYS 84 HZ3 LYS 84 13.149 13.728 -2.599 596 H GLY 85 HN GLY 85 15.003 7.550 -2.091 597 1HA GLY 85 HA2 GLY 85 16.817 6.224 -1.595 598 2HA GLY 85 HA1 GLY 85 17.379 7.649 -0.739 599 H LYS 86 HN LYS 86 14.751 5.338 -0.078 600 HA LYS 86 HA LYS 86 15.781 5.093 2.648 601 1HB LYS 86 HB2 LYS 86 13.365 5.714 2.143 602 2HB LYS 86 HB1 LYS 86 13.150 4.049 1.642 603 1HG LYS 86 HG2 LYS 86 14.227 4.731 4.346 604 2HG LYS 86 HG1 LYS 86 12.494 4.716 4.022 605 1HD LYS 86 HD2 LYS 86 14.318 2.381 3.472 606 2HD LYS 86 HD1 LYS 86 13.411 2.589 4.968 607 1HE LYS 86 HE2 LYS 86 11.880 1.347 3.878 608 2HE LYS 86 HE1 LYS 86 11.424 2.908 3.198 609 1HZ LYS 86 HZ1 LYS 86 13.376 1.093 1.898 610 2HZ LYS 86 HZ2 LYS 86 12.612 2.442 1.225 611 3HZ LYS 86 HZ3 LYS 86 11.719 1.049 1.565 612 H ALA 87 HN ALA 87 17.367 3.579 2.587 613 HA ALA 87 HA ALA 87 16.938 1.024 1.265 614 1HB ALA 87 HB1 ALA 87 19.193 0.606 1.572 615 2HB ALA 87 HB2 ALA 87 19.284 1.597 3.028 616 3HB ALA 87 HB3 ALA 87 19.177 2.365 1.443 617 H ALA 88 HN ALA 88 15.519 -0.272 2.356 618 HA ALA 88 HA ALA 88 16.144 -0.839 5.161 619 1HB ALA 88 HB1 ALA 88 13.947 -0.437 5.944 620 2HB ALA 88 HB2 ALA 88 13.329 -0.235 4.305 621 3HB ALA 88 HB3 ALA 88 14.416 0.967 4.995 622 H LYS 89 HN LYS 89 14.128 -2.346 5.877 623 HA LYS 89 HA LYS 89 13.982 -4.605 4.000 624 1HB LYS 89 HB2 LYS 89 14.385 -4.799 6.999 625 2HB LYS 89 HB1 LYS 89 14.250 -6.150 5.884 626 1HG LYS 89 HG2 LYS 89 16.523 -6.019 6.236 627 2HG LYS 89 HG1 LYS 89 16.320 -5.106 4.739 628 1HD LYS 89 HD2 LYS 89 17.643 -3.645 5.896 629 2HD LYS 89 HD1 LYS 89 16.060 -3.087 6.436 630 1HE LYS 89 HE2 LYS 89 16.839 -3.360 8.507 631 2HE LYS 89 HE1 LYS 89 16.645 -5.089 8.224 632 1HZ LYS 89 HZ1 LYS 89 19.128 -3.700 7.444 633 2HZ LYS 89 HZ2 LYS 89 18.887 -5.344 7.761 634 3HZ LYS 89 HZ3 LYS 89 18.900 -4.231 9.034 635 H PHE 90 HN PHE 90 11.932 -5.601 3.935 636 HA PHE 90 HA PHE 90 9.933 -4.664 5.874 637 1HB PHE 90 HB2 PHE 90 9.341 -4.822 2.926 638 2HB PHE 90 HB1 PHE 90 8.224 -4.371 4.202 639 HD1 PHE 90 HD1 PHE 90 8.398 -2.876 1.845 640 HD2 PHE 90 HD2 PHE 90 10.786 -2.605 5.345 641 HE1 PHE 90 HE1 PHE 90 8.812 -0.470 1.394 642 HE2 PHE 90 HE2 PHE 90 11.214 -0.225 4.905 643 HZ PHE 90 HZ PHE 90 10.219 0.845 2.921 644 H ALA 91 HN ALA 91 8.028 -5.994 5.997 645 HA ALA 91 HA ALA 91 8.274 -8.588 4.682 646 1HB ALA 91 HB1 ALA 91 8.536 -9.439 6.775 647 2HB ALA 91 HB2 ALA 91 6.805 -9.126 6.925 648 3HB ALA 91 HB3 ALA 91 7.972 -7.955 7.543 649 H ILE 92 HN ILE 92 6.844 -8.260 3.110 650 HA ILE 92 HA ILE 92 4.439 -6.716 3.625 651 HB ILE 92 HB ILE 92 5.843 -7.650 1.143 652 1HG1 ILE 92 2HG1 ILE 92 5.855 -5.299 0.527 653 2HG1 ILE 92 1HG1 ILE 92 4.907 -4.894 1.938 654 1HG2 ILE 92 1HG2 ILE 92 4.120 -7.375 -0.263 655 2HG2 ILE 92 2HG2 ILE 92 3.398 -6.103 0.698 656 3HG2 ILE 92 3HG2 ILE 92 3.159 -7.785 1.143 657 1HD1 ILE 92 1HD1 ILE 92 7.029 -4.298 2.520 658 2HD1 ILE 92 2HD1 ILE 92 7.750 -5.686 1.695 659 3HD1 ILE 92 3HD1 ILE 92 6.901 -5.913 3.220 660 H ASN 93 HN ASN 93 2.392 -7.360 2.965 661 HA ASN 93 HA ASN 93 1.937 -10.245 2.657 662 1HB ASN 93 HB2 ASN 93 0.269 -8.357 4.348 663 2HB ASN 93 HB1 ASN 93 -0.089 -10.055 4.053 664 1HD2 ASN 93 1HD2 ASN 93 0.870 -8.143 6.373 665 2HD2 ASN 93 2HD2 ASN 93 1.999 -9.147 7.209 666 H LEU 94 HN LEU 94 1.355 -10.317 0.540 667 HA LEU 94 HA LEU 94 0.146 -8.215 -0.855 668 1HB LEU 94 HB2 LEU 94 1.446 -10.198 -1.776 669 2HB LEU 94 HB1 LEU 94 -0.068 -11.075 -1.695 670 HG LEU 94 HG LEU 94 -1.078 -9.314 -3.167 671 1HD1 LEU 94 1HD1 LEU 94 1.566 -8.159 -2.776 672 2HD1 LEU 94 2HD1 LEU 94 0.069 -7.406 -3.327 673 3HD1 LEU 94 3HD1 LEU 94 1.099 -8.263 -4.474 674 1HD2 LEU 94 1HD2 LEU 94 0.840 -10.128 -5.041 675 2HD2 LEU 94 2HD2 LEU 94 -0.707 -10.892 -4.681 676 3HD2 LEU 94 3HD2 LEU 94 0.753 -11.419 -3.844 677 H LYS 95 HN LYS 95 -1.926 -8.000 -1.803 678 HA LYS 95 HA LYS 95 -4.060 -9.673 -0.783 679 1HB LYS 95 HB2 LYS 95 -3.829 -6.744 -0.112 680 2HB LYS 95 HB1 LYS 95 -5.368 -7.588 -0.093 681 1HG LYS 95 HG2 LYS 95 -3.494 -9.112 1.405 682 2HG LYS 95 HG1 LYS 95 -3.410 -7.434 1.940 683 1HD LYS 95 HD2 LYS 95 -5.273 -7.734 3.113 684 2HD LYS 95 HD1 LYS 95 -6.147 -8.078 1.620 685 1HE LYS 95 HE2 LYS 95 -5.978 -10.353 1.881 686 2HE LYS 95 HE1 LYS 95 -4.508 -10.239 2.849 687 1HZ LYS 95 HZ1 LYS 95 -7.210 -10.369 3.706 688 2HZ LYS 95 HZ2 LYS 95 -6.468 -8.978 4.320 689 3HZ LYS 95 HZ3 LYS 95 -5.792 -10.500 4.619 690 H LYS 96 HN LYS 96 -5.116 -6.596 -1.759 691 HA LYS 96 HA LYS 96 -6.344 -7.683 -4.074 692 1HB LYS 96 HB2 LYS 96 -6.533 -5.255 -2.516 693 2HB LYS 96 HB1 LYS 96 -6.597 -4.904 -4.238 694 1HG LYS 96 HG2 LYS 96 -8.600 -5.911 -4.512 695 2HG LYS 96 HG1 LYS 96 -8.272 -7.142 -3.292 696 1HD LYS 96 HD2 LYS 96 -8.777 -5.640 -1.520 697 2HD LYS 96 HD1 LYS 96 -8.807 -4.257 -2.616 698 1HE LYS 96 HE2 LYS 96 -10.946 -4.609 -3.133 699 2HE LYS 96 HE1 LYS 96 -10.662 -6.321 -3.442 700 1HZ LYS 96 HZ1 LYS 96 -10.882 -5.262 -0.691 701 2HZ LYS 96 HZ2 LYS 96 -11.060 -6.857 -1.222 702 3HZ LYS 96 HZ3 LYS 96 -12.251 -5.711 -1.577 703 H VAL 97 HN VAL 97 -5.108 -8.222 -5.755 704 HA VAL 97 HA VAL 97 -3.265 -6.217 -6.866 705 HB VAL 97 HB VAL 97 -2.027 -8.181 -6.364 706 1HG1 VAL 97 1HG1 VAL 97 -3.179 -10.300 -7.790 707 2HG1 VAL 97 2HG1 VAL 97 -4.503 -9.537 -6.913 708 3HG1 VAL 97 3HG1 VAL 97 -3.083 -10.115 -6.039 709 1HG2 VAL 97 1HG2 VAL 97 -2.204 -9.149 -9.028 710 2HG2 VAL 97 2HG2 VAL 97 -0.998 -8.072 -8.329 711 3HG2 VAL 97 3HG2 VAL 97 -2.448 -7.404 -9.069 712 H GLU 98 HN GLU 98 -4.318 -5.104 -8.411 713 HA GLU 98 HA GLU 98 -5.793 -6.627 -10.450 714 1HB GLU 98 HB2 GLU 98 -6.687 -3.991 -9.278 715 2HB GLU 98 HB1 GLU 98 -7.520 -4.912 -10.524 716 1HG GLU 98 HG2 GLU 98 -8.394 -6.382 -9.042 717 2HG GLU 98 HG1 GLU 98 -6.987 -6.319 -7.985 718 H GLU 99 HN GLU 99 -6.139 -5.250 -12.494 719 HA GLU 99 HA GLU 99 -3.601 -3.961 -13.090 720 1HB GLU 99 HB2 GLU 99 -4.082 -4.258 -15.393 721 2HB GLU 99 HB1 GLU 99 -4.507 -5.749 -14.569 722 1HG GLU 99 HG2 GLU 99 -6.505 -5.658 -15.486 723 2HG GLU 99 HG1 GLU 99 -6.829 -4.162 -14.620 724 H ARG 100 HN ARG 100 -3.717 -1.946 -12.203 725 HA ARG 100 HA ARG 100 -5.929 -0.190 -12.601 726 1HB ARG 100 HB2 ARG 100 -4.510 1.521 -11.612 727 2HB ARG 100 HB1 ARG 100 -4.401 0.029 -10.687 728 1HG ARG 100 HG2 ARG 100 -2.207 -0.054 -10.964 729 2HG ARG 100 HG1 ARG 100 -2.372 0.078 -12.715 730 1HD ARG 100 HD2 ARG 100 -2.717 2.529 -11.062 731 2HD ARG 100 HD1 ARG 100 -1.089 1.901 -11.310 732 HE ARG 100 HE ARG 100 -2.806 2.388 -13.635 733 1HH1 ARG 100 1HH1 ARG 100 0.018 3.238 -11.755 734 2HH1 ARG 100 2HH1 ARG 100 0.712 4.202 -13.011 735 1HH2 ARG 100 1HH2 ARG 100 -1.886 3.660 -15.280 736 2HH2 ARG 100 2HH2 ARG 100 -0.366 4.443 -15.008 737 H GLU 101 HN GLU 101 -5.652 1.964 -13.639 738 HA GLU 101 HA GLU 101 -3.768 2.340 -15.730 739 1HB GLU 101 HB2 GLU 101 -5.129 0.613 -16.820 740 2HB GLU 101 HB1 GLU 101 -6.578 1.566 -16.541 741 1HG GLU 101 HG2 GLU 101 -5.848 3.258 -18.051 742 2HG GLU 101 HG1 GLU 101 -4.255 2.517 -18.194 743 H LEU 102 HN LEU 102 -3.676 4.273 -14.454 744 HA LEU 102 HA LEU 102 -5.938 5.995 -14.226 745 1HB LEU 102 HB2 LEU 102 -3.019 6.224 -13.633 746 2HB LEU 102 HB1 LEU 102 -4.019 7.662 -13.618 747 HG LEU 102 HG LEU 102 -5.342 6.830 -11.808 748 1HD1 LEU 102 1HD1 LEU 102 -4.730 4.301 -12.771 749 2HD1 LEU 102 2HD1 LEU 102 -5.643 4.679 -11.318 750 3HD1 LEU 102 3HD1 LEU 102 -3.908 4.384 -11.217 751 1HD2 LEU 102 1HD2 LEU 102 -2.395 6.399 -11.414 752 2HD2 LEU 102 2HD2 LEU 102 -3.561 6.411 -10.090 753 3HD2 LEU 102 3HD2 LEU 102 -3.333 7.855 -11.078 754 HA PRO 103 HA PRO 103 -5.960 7.868 -18.265 755 1HB PRO 103 HB2 PRO 103 -6.647 10.322 -16.713 756 2HB PRO 103 HB1 PRO 103 -7.454 9.619 -18.120 757 1HG PRO 103 HG2 PRO 103 -8.496 9.360 -15.684 758 2HG PRO 103 HG1 PRO 103 -8.569 8.032 -16.854 759 1HD PRO 103 HD2 PRO 103 -6.833 8.351 -14.455 760 2HD PRO 103 HD1 PRO 103 -7.528 6.879 -15.163 761 H GLU 104 HN GLU 104 -4.495 8.956 -19.489 762 HA GLU 104 HA GLU 104 -2.143 9.985 -18.143 763 1HB GLU 104 HB2 GLU 104 -2.816 9.388 -21.013 764 2HB GLU 104 HB1 GLU 104 -1.359 10.272 -20.583 765 1HG GLU 104 HG2 GLU 104 -0.779 8.327 -19.080 766 2HG GLU 104 HG1 GLU 104 -2.097 7.453 -19.860 767 H LEU 105 HN LEU 105 -4.555 11.182 -20.463 768 HA LEU 105 HA LEU 105 -3.631 13.920 -19.933 769 1HB LEU 105 HB2 LEU 105 -5.108 12.641 -22.202 770 2HB LEU 105 HB1 LEU 105 -5.252 14.368 -21.932 771 HG LEU 105 HG LEU 105 -3.561 13.925 -23.608 772 1HD1 LEU 105 1HD1 LEU 105 -2.132 14.722 -21.086 773 2HD1 LEU 105 2HD1 LEU 105 -3.284 15.773 -21.908 774 3HD1 LEU 105 3HD1 LEU 105 -1.817 15.254 -22.737 775 1HD2 LEU 105 1HD2 LEU 105 -1.605 12.694 -21.831 776 2HD2 LEU 105 2HD2 LEU 105 -2.042 12.290 -23.490 777 3HD2 LEU 105 3HD2 LEU 105 -3.002 11.666 -22.151 778 H THR 106 HN THR 106 -4.662 14.609 -18.136 779 HA THR 106 HA THR 106 -6.339 15.344 -16.786 780 HB THR 106 HB THR 106 -8.382 15.082 -18.936 781 HG1 THR 106 HG1 THR 106 -6.101 16.747 -19.082 782 1HG2 THR 106 1HG2 THR 106 -7.659 17.135 -16.888 783 2HG2 THR 106 2HG2 THR 106 -9.189 16.294 -17.135 784 3HG2 THR 106 3HG2 THR 106 -8.674 17.541 -18.272 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -4.813 26.416 -5.444 2 2H GLY 1 HT2 GLY 1 -6.158 25.452 -5.789 3 3H GLY 1 HT3 GLY 1 -4.615 24.952 -6.266 4 1HA GLY 1 HA1 GLY 1 -4.128 24.069 -4.295 5 2HA GLY 1 HA2 GLY 1 -4.788 25.461 -3.449 6 H SER 2 HN SER 2 -5.777 22.553 -5.236 7 HA SER 2 HA SER 2 -7.856 22.103 -3.233 8 1HB SER 2 HB2 SER 2 -8.357 22.227 -6.212 9 2HB SER 2 HB1 SER 2 -9.492 21.533 -5.055 10 HG SER 2 HG SER 2 -9.319 23.670 -3.977 11 H HIS 3 HN HIS 3 -8.896 19.887 -3.601 12 HA HIS 3 HA HIS 3 -6.804 17.998 -4.462 13 1HB HIS 3 HB2 HIS 3 -7.530 18.207 -1.944 14 2HB HIS 3 HB1 HIS 3 -8.905 17.241 -2.467 15 HD2 HIS 3 HD2 HIS 3 -7.979 15.023 -1.011 16 HE1 HIS 3 HE1 HIS 3 -4.523 14.401 -3.394 17 HE2 HIS 3 HE2 HIS 3 -5.971 13.482 -1.547 18 H MET 4 HN MET 4 -7.325 16.462 -5.906 19 HA MET 4 HA MET 4 -10.148 16.291 -6.739 20 1HB MET 4 HB2 MET 4 -7.655 15.809 -8.383 21 2HB MET 4 HB1 MET 4 -9.306 15.650 -8.963 22 1HG MET 4 HG2 MET 4 -8.185 18.214 -7.875 23 2HG MET 4 HG1 MET 4 -8.122 17.774 -9.580 24 1HE MET 4 HE1 MET 4 -9.228 20.024 -7.673 25 2HE MET 4 HE2 MET 4 -10.981 20.215 -7.625 26 3HE MET 4 HE3 MET 4 -10.084 20.662 -9.076 27 H GLN 5 HN GLN 5 -11.059 14.287 -7.119 28 HA GLN 5 HA GLN 5 -10.031 12.123 -5.593 29 1HB GLN 5 HB2 GLN 5 -12.468 12.754 -7.035 30 2HB GLN 5 HB1 GLN 5 -11.994 11.080 -7.289 31 1HG GLN 5 HG2 GLN 5 -12.917 10.579 -5.347 32 2HG GLN 5 HG1 GLN 5 -11.675 11.544 -4.552 33 1HE2 GLN 5 1HE2 GLN 5 -14.597 12.212 -6.458 34 2HE2 GLN 5 2HE2 GLN 5 -15.273 13.341 -5.339 35 H ALA 6 HN ALA 6 -9.181 10.155 -6.256 36 HA ALA 6 HA ALA 6 -7.705 10.241 -8.736 37 1HB ALA 6 HB1 ALA 6 -6.704 9.405 -6.631 38 2HB ALA 6 HB2 ALA 6 -6.611 8.244 -7.955 39 3HB ALA 6 HB3 ALA 6 -7.815 8.036 -6.681 40 H THR 7 HN THR 7 -7.778 8.616 -10.364 41 HA THR 7 HA THR 7 -10.383 7.246 -10.537 42 HB THR 7 HB THR 7 -8.773 8.038 -12.945 43 HG1 THR 7 HG1 THR 7 -10.035 9.953 -12.995 44 1HG2 THR 7 1HG2 THR 7 -11.143 6.651 -12.658 45 2HG2 THR 7 2HG2 THR 7 -10.525 7.396 -14.132 46 3HG2 THR 7 3HG2 THR 7 -11.645 8.284 -13.097 47 H TRP 8 HN TRP 8 -10.402 5.113 -10.953 48 HA TRP 8 HA TRP 8 -7.941 3.826 -11.875 49 1HB TRP 8 HB2 TRP 8 -9.475 3.078 -9.384 50 2HB TRP 8 HB1 TRP 8 -8.278 2.033 -10.143 51 HD1 TRP 8 HD1 TRP 8 -8.377 5.670 -8.768 52 HE1 TRP 8 HE1 TRP 8 -6.130 6.126 -7.607 53 HE3 TRP 8 HE3 TRP 8 -6.063 1.210 -9.710 54 HZ2 TRP 8 HZ2 TRP 8 -3.689 4.770 -7.148 55 HZ3 TRP 8 HZ3 TRP 8 -3.788 0.879 -8.880 56 HH2 TRP 8 HH2 TRP 8 -2.614 2.607 -7.628 57 H LYS 9 HN LYS 9 -8.229 1.704 -12.716 58 HA LYS 9 HA LYS 9 -10.942 0.773 -13.195 59 1HB LYS 9 HB2 LYS 9 -10.599 0.589 -15.621 60 2HB LYS 9 HB1 LYS 9 -10.543 2.265 -15.091 61 1HG LYS 9 HG2 LYS 9 -8.435 2.531 -15.769 62 2HG LYS 9 HG1 LYS 9 -7.930 0.965 -15.133 63 1HD LYS 9 HD2 LYS 9 -7.665 0.622 -17.389 64 2HD LYS 9 HD1 LYS 9 -9.316 0.046 -17.160 65 1HE LYS 9 HE2 LYS 9 -10.148 2.268 -17.846 66 2HE LYS 9 HE1 LYS 9 -8.487 2.773 -18.149 67 1HZ LYS 9 HZ1 LYS 9 -9.907 1.916 -20.097 68 2HZ LYS 9 HZ2 LYS 9 -9.577 0.377 -19.477 69 3HZ LYS 9 HZ3 LYS 9 -8.307 1.381 -19.966 70 H GLU 10 HN GLU 10 -8.857 -0.196 -11.597 71 HA GLU 10 HA GLU 10 -7.245 -2.111 -12.794 72 1HB GLU 10 HB2 GLU 10 -6.833 -2.949 -10.613 73 2HB GLU 10 HB1 GLU 10 -7.017 -1.212 -10.479 74 1HG GLU 10 HG2 GLU 10 -9.523 -2.629 -10.097 75 2HG GLU 10 HG1 GLU 10 -8.282 -3.105 -8.940 76 H LYS 11 HN LYS 11 -7.427 -4.260 -13.231 77 HA LYS 11 HA LYS 11 -10.004 -5.243 -13.889 78 1HB LYS 11 HB2 LYS 11 -7.551 -6.970 -13.648 79 2HB LYS 11 HB1 LYS 11 -8.914 -7.158 -14.739 80 1HG LYS 11 HG2 LYS 11 -6.873 -4.961 -14.864 81 2HG LYS 11 HG1 LYS 11 -6.901 -6.391 -15.892 82 1HD LYS 11 HD2 LYS 11 -9.461 -5.149 -15.997 83 2HD LYS 11 HD1 LYS 11 -8.230 -3.909 -16.249 84 1HE LYS 11 HE2 LYS 11 -8.555 -4.661 -18.400 85 2HE LYS 11 HE1 LYS 11 -7.206 -5.674 -17.884 86 1HZ LYS 11 HZ1 LYS 11 -9.273 -7.170 -17.131 87 2HZ LYS 11 HZ2 LYS 11 -8.528 -7.306 -18.642 88 3HZ LYS 11 HZ3 LYS 11 -9.950 -6.404 -18.478 89 H ASP 12 HN ASP 12 -9.751 -7.990 -13.140 90 HA ASP 12 HA ASP 12 -10.022 -7.852 -10.221 91 1HB ASP 12 HB2 ASP 12 -12.217 -7.888 -11.677 92 2HB ASP 12 HB1 ASP 12 -11.856 -9.608 -11.801 93 H GLY 13 HN GLY 13 -7.979 -8.928 -12.219 94 1HA GLY 13 HA2 GLY 13 -7.953 -11.711 -11.228 95 2HA GLY 13 HA1 GLY 13 -7.281 -11.219 -12.775 96 H ALA 14 HN ALA 14 -5.257 -12.086 -12.282 97 HA ALA 14 HA ALA 14 -3.807 -11.426 -9.932 98 1HB ALA 14 HB1 ALA 14 -2.170 -12.796 -10.734 99 2HB ALA 14 HB2 ALA 14 -2.381 -12.259 -12.400 100 3HB ALA 14 HB3 ALA 14 -3.537 -13.380 -11.682 101 H VAL 15 HN VAL 15 -1.305 -10.770 -10.740 102 HA VAL 15 HA VAL 15 -1.452 -7.927 -11.061 103 HB VAL 15 HB VAL 15 0.354 -8.955 -9.775 104 1HG1 VAL 15 1HG1 VAL 15 1.997 -10.340 -10.645 105 2HG1 VAL 15 2HG1 VAL 15 1.637 -9.880 -12.310 106 3HG1 VAL 15 3HG1 VAL 15 0.525 -10.924 -11.424 107 1HG2 VAL 15 1HG2 VAL 15 2.047 -7.812 -11.822 108 2HG2 VAL 15 2HG2 VAL 15 1.660 -7.214 -10.212 109 3HG2 VAL 15 3HG2 VAL 15 0.596 -6.851 -11.558 110 H GLU 16 HN GLU 16 -0.601 -6.672 -12.853 111 HA GLU 16 HA GLU 16 -0.267 -8.152 -15.347 112 1HB GLU 16 HB2 GLU 16 -2.293 -6.071 -14.723 113 2HB GLU 16 HB1 GLU 16 -1.532 -6.008 -16.307 114 1HG GLU 16 HG2 GLU 16 -2.283 -8.692 -15.819 115 2HG GLU 16 HG1 GLU 16 -3.657 -7.664 -15.416 116 H ALA 17 HN ALA 17 0.757 -6.870 -17.006 117 HA ALA 17 HA ALA 17 3.172 -5.993 -16.737 118 1HB ALA 17 HB1 ALA 17 3.043 -4.923 -18.713 119 2HB ALA 17 HB2 ALA 17 1.700 -3.903 -18.201 120 3HB ALA 17 HB3 ALA 17 1.402 -5.564 -18.713 121 H GLU 18 HN GLU 18 0.877 -3.243 -16.598 122 HA GLU 18 HA GLU 18 2.560 -2.123 -14.452 123 1HB GLU 18 HB2 GLU 18 0.966 -0.598 -16.512 124 2HB GLU 18 HB1 GLU 18 2.032 0.093 -15.297 125 1HG GLU 18 HG2 GLU 18 3.503 0.116 -16.989 126 2HG GLU 18 HG1 GLU 18 3.749 -1.567 -16.525 127 H ASP 19 HN ASP 19 0.992 -3.493 -13.139 128 HA ASP 19 HA ASP 19 -1.602 -2.181 -12.772 129 1HB ASP 19 HB2 ASP 19 -2.410 -4.174 -12.035 130 2HB ASP 19 HB1 ASP 19 -1.099 -4.769 -13.028 131 H ARG 20 HN ARG 20 -2.263 -2.802 -10.233 132 HA ARG 20 HA ARG 20 -0.212 -1.738 -8.460 133 1HB ARG 20 HB2 ARG 20 -2.852 -0.453 -9.015 134 2HB ARG 20 HB1 ARG 20 -2.109 -0.283 -7.431 135 1HG ARG 20 HG2 ARG 20 -0.253 0.298 -9.583 136 2HG ARG 20 HG1 ARG 20 -1.686 1.317 -9.630 137 1HD ARG 20 HD2 ARG 20 -1.162 1.457 -7.017 138 2HD ARG 20 HD1 ARG 20 0.472 1.186 -7.618 139 HE ARG 20 HE ARG 20 -0.387 3.150 -9.224 140 1HH1 ARG 20 1HH1 ARG 20 -0.439 2.800 -5.753 141 2HH1 ARG 20 2HH1 ARG 20 -0.409 4.506 -5.459 142 1HH2 ARG 20 1HH2 ARG 20 -0.360 5.387 -8.838 143 2HH2 ARG 20 2HH2 ARG 20 -0.367 5.974 -7.209 144 H VAL 21 HN VAL 21 -0.082 -3.135 -6.840 145 HA VAL 21 HA VAL 21 -2.386 -4.767 -6.104 146 HB VAL 21 HB VAL 21 -0.730 -6.018 -4.720 147 1HG1 VAL 21 1HG1 VAL 21 0.340 -5.826 -7.511 148 2HG1 VAL 21 2HG1 VAL 21 -1.280 -6.449 -7.210 149 3HG1 VAL 21 3HG1 VAL 21 0.122 -7.255 -6.497 150 1HG2 VAL 21 1HG2 VAL 21 1.299 -4.261 -6.084 151 2HG2 VAL 21 2HG2 VAL 21 1.603 -5.577 -4.962 152 3HG2 VAL 21 3HG2 VAL 21 0.814 -4.112 -4.394 153 H THR 22 HN THR 22 -2.669 -5.222 -3.718 154 HA THR 22 HA THR 22 -2.212 -2.778 -2.130 155 HB THR 22 HB THR 22 -4.549 -4.698 -1.959 156 HG1 THR 22 HG1 THR 22 -4.463 -3.058 -3.705 157 1HG2 THR 22 1HG2 THR 22 -4.880 -3.956 0.096 158 2HG2 THR 22 2HG2 THR 22 -5.124 -2.343 -0.576 159 3HG2 THR 22 3HG2 THR 22 -3.519 -2.840 -0.032 160 H ILE 23 HN ILE 23 -0.682 -3.189 -0.660 161 HA ILE 23 HA ILE 23 -0.683 -5.851 0.613 162 HB ILE 23 HB ILE 23 1.774 -5.742 0.676 163 1HG1 ILE 23 2HG1 ILE 23 1.450 -3.345 -1.129 164 2HG1 ILE 23 1HG1 ILE 23 1.951 -3.282 0.556 165 1HG2 ILE 23 1HG2 ILE 23 0.517 -6.873 -1.178 166 2HG2 ILE 23 2HG2 ILE 23 2.170 -6.399 -1.575 167 3HG2 ILE 23 3HG2 ILE 23 0.805 -5.437 -2.153 168 1HD1 ILE 23 1HD1 ILE 23 3.542 -5.083 -1.072 169 2HD1 ILE 23 2HD1 ILE 23 4.045 -3.841 0.072 170 3HD1 ILE 23 3HD1 ILE 23 3.621 -3.399 -1.582 171 H ASP 24 HN ASP 24 0.199 -6.001 2.701 172 HA ASP 24 HA ASP 24 0.442 -3.478 4.222 173 1HB ASP 24 HB2 ASP 24 -0.441 -4.860 6.188 174 2HB ASP 24 HB1 ASP 24 -1.622 -4.432 4.959 175 H PHE 25 HN PHE 25 2.452 -3.327 5.201 176 HA PHE 25 HA PHE 25 3.812 -5.826 5.904 177 1HB PHE 25 HB2 PHE 25 5.845 -5.239 4.766 178 2HB PHE 25 HB1 PHE 25 4.513 -5.178 3.614 179 HD1 PHE 25 HD1 PHE 25 4.159 -3.290 2.321 180 HD2 PHE 25 HD2 PHE 25 6.609 -3.021 5.796 181 HE1 PHE 25 HE1 PHE 25 4.758 -0.985 1.731 182 HE2 PHE 25 HE2 PHE 25 7.204 -0.703 5.196 183 HZ PHE 25 HZ PHE 25 6.270 0.308 3.155 184 H THR 26 HN THR 26 5.922 -5.423 7.014 185 HA THR 26 HA THR 26 6.120 -2.933 8.493 186 HB THR 26 HB THR 26 5.882 -5.521 10.023 187 HG1 THR 26 HG1 THR 26 3.781 -4.885 10.520 188 1HG2 THR 26 1HG2 THR 26 6.029 -2.641 10.803 189 2HG2 THR 26 2HG2 THR 26 6.944 -4.018 11.421 190 3HG2 THR 26 3HG2 THR 26 5.244 -3.826 11.847 191 H GLY 27 HN GLY 27 8.231 -2.420 8.380 192 1HA GLY 27 HA2 GLY 27 10.226 -4.399 9.109 193 2HA GLY 27 HA1 GLY 27 10.299 -3.863 7.444 194 H SER 28 HN SER 28 12.473 -3.511 8.917 195 HA SER 28 HA SER 28 12.465 -0.677 9.750 196 1HB SER 28 HB2 SER 28 14.866 -2.227 10.410 197 2HB SER 28 HB1 SER 28 13.843 -1.248 11.453 198 HG SER 28 HG SER 28 13.402 -3.925 10.646 199 H VAL 29 HN VAL 29 14.626 0.417 9.427 200 HA VAL 29 HA VAL 29 15.651 -0.203 6.755 201 HB VAL 29 HB VAL 29 14.594 1.899 6.597 202 1HG1 VAL 29 1HG1 VAL 29 14.361 3.419 8.204 203 2HG1 VAL 29 2HG1 VAL 29 16.073 3.394 8.616 204 3HG1 VAL 29 3HG1 VAL 29 14.987 2.176 9.282 205 1HG2 VAL 29 1HG2 VAL 29 16.441 2.253 5.336 206 2HG2 VAL 29 2HG2 VAL 29 17.555 1.969 6.672 207 3HG2 VAL 29 3HG2 VAL 29 16.708 3.508 6.544 208 H ASP 30 HN ASP 30 16.917 1.726 9.493 209 HA ASP 30 HA ASP 30 19.505 0.439 9.074 210 1HB ASP 30 HB2 ASP 30 18.611 3.040 10.129 211 2HB ASP 30 HB1 ASP 30 19.931 2.303 11.033 212 H GLY 31 HN GLY 31 17.421 -1.105 10.201 213 1HA GLY 31 HA2 GLY 31 17.633 -2.798 11.846 214 2HA GLY 31 HA1 GLY 31 18.634 -1.711 12.800 215 H GLU 32 HN GLU 32 16.384 0.344 11.984 216 HA GLU 32 HA GLU 32 14.375 -0.524 13.938 217 1HB GLU 32 HB2 GLU 32 15.571 2.250 13.858 218 2HB GLU 32 HB1 GLU 32 14.356 1.661 14.984 219 1HG GLU 32 HG2 GLU 32 15.935 0.155 15.985 220 2HG GLU 32 HG1 GLU 32 17.151 0.571 14.779 221 H GLU 33 HN GLU 33 12.412 -0.406 13.103 222 HA GLU 33 HA GLU 33 11.830 0.502 10.561 223 1HB GLU 33 HB2 GLU 33 9.439 0.299 11.268 224 2HB GLU 33 HB1 GLU 33 10.414 -1.127 11.579 225 1HG GLU 33 HG2 GLU 33 10.322 0.754 13.808 226 2HG GLU 33 HG1 GLU 33 8.752 0.085 13.362 227 H PHE 34 HN PHE 34 11.629 2.421 9.749 228 HA PHE 34 HA PHE 34 11.528 4.757 11.398 229 1HB PHE 34 HB2 PHE 34 11.875 5.946 9.276 230 2HB PHE 34 HB1 PHE 34 13.048 4.661 9.505 231 HD1 PHE 34 HD1 PHE 34 10.751 6.115 7.253 232 HD2 PHE 34 HD2 PHE 34 12.485 2.382 8.341 233 HE1 PHE 34 HE1 PHE 34 10.175 5.206 5.046 234 HE2 PHE 34 HE2 PHE 34 11.902 1.467 6.137 235 HZ PHE 34 HZ PHE 34 10.747 2.879 4.485 236 H GLU 35 HN GLU 35 10.104 5.956 8.919 237 HA GLU 35 HA GLU 35 7.548 6.228 10.148 238 1HB GLU 35 HB2 GLU 35 8.803 7.211 7.608 239 2HB GLU 35 HB1 GLU 35 7.062 7.338 7.818 240 1HG GLU 35 HG2 GLU 35 7.299 9.157 9.048 241 2HG GLU 35 HG1 GLU 35 8.368 8.311 10.164 242 H GLY 36 HN GLY 36 8.577 4.908 7.003 243 1HA GLY 36 HA2 GLY 36 6.058 3.599 6.565 244 2HA GLY 36 HA1 GLY 36 7.481 3.488 5.545 245 H GLY 37 HN GLY 37 8.250 2.803 8.765 246 1HA GLY 37 HA2 GLY 37 9.021 0.188 8.260 247 2HA GLY 37 HA1 GLY 37 8.760 0.870 9.853 248 H LYS 38 HN LYS 38 5.856 1.324 8.573 249 HA LYS 38 HA LYS 38 4.873 -1.390 8.665 250 1HB LYS 38 HB2 LYS 38 3.282 -0.995 10.472 251 2HB LYS 38 HB1 LYS 38 4.933 -0.806 11.039 252 1HG LYS 38 HG2 LYS 38 3.728 1.689 10.131 253 2HG LYS 38 HG1 LYS 38 2.876 0.939 11.480 254 1HD LYS 38 HD2 LYS 38 4.408 1.848 12.817 255 2HD LYS 38 HD1 LYS 38 5.571 0.709 12.135 256 1HE LYS 38 HE2 LYS 38 6.714 2.520 11.496 257 2HE LYS 38 HE1 LYS 38 5.490 2.687 10.238 258 1HZ LYS 38 HZ1 LYS 38 4.523 4.420 11.284 259 2HZ LYS 38 HZ2 LYS 38 6.066 4.617 11.944 260 3HZ LYS 38 HZ3 LYS 38 4.859 3.839 12.838 261 H ALA 39 HN ALA 39 3.419 -1.587 7.136 262 HA ALA 39 HA ALA 39 1.633 0.664 6.529 263 1HB ALA 39 HB1 ALA 39 1.966 -0.495 4.073 264 2HB ALA 39 HB2 ALA 39 3.596 -0.588 4.750 265 3HB ALA 39 HB3 ALA 39 2.781 0.970 4.625 266 H SER 40 HN SER 40 -0.424 0.082 5.811 267 HA SER 40 HA SER 40 -1.063 -2.774 6.129 268 1HB SER 40 HB2 SER 40 -3.180 -2.179 7.044 269 2HB SER 40 HB1 SER 40 -1.996 -1.155 7.855 270 HG SER 40 HG SER 40 -3.901 -0.039 7.091 271 H ASP 41 HN ASP 41 -2.339 0.162 4.531 272 HA ASP 41 HA ASP 41 -3.225 -1.500 2.313 273 1HB ASP 41 HB2 ASP 41 -4.088 1.243 3.256 274 2HB ASP 41 HB1 ASP 41 -4.551 0.576 1.692 275 H PHE 42 HN PHE 42 -0.849 -1.535 1.787 276 HA PHE 42 HA PHE 42 0.159 0.995 0.741 277 1HB PHE 42 HB2 PHE 42 1.660 -0.502 2.083 278 2HB PHE 42 HB1 PHE 42 1.547 -1.689 0.793 279 HD1 PHE 42 HD1 PHE 42 3.728 -1.796 -0.060 280 HD2 PHE 42 HD2 PHE 42 1.883 1.994 0.532 281 HE1 PHE 42 HE1 PHE 42 5.591 -0.713 -1.232 282 HE2 PHE 42 HE2 PHE 42 3.755 3.087 -0.633 283 HZ PHE 42 HZ PHE 42 5.611 1.733 -1.518 284 H VAL 43 HN VAL 43 -0.766 1.475 -1.174 285 HA VAL 43 HA VAL 43 -1.407 -0.560 -3.088 286 HB VAL 43 HB VAL 43 -2.842 1.375 -2.767 287 1HG1 VAL 43 1HG1 VAL 43 -1.998 3.387 -2.449 288 2HG1 VAL 43 2HG1 VAL 43 -1.498 3.427 -4.136 289 3HG1 VAL 43 3HG1 VAL 43 -0.392 2.822 -2.905 290 1HG2 VAL 43 1HG2 VAL 43 -3.435 0.881 -4.859 291 2HG2 VAL 43 2HG2 VAL 43 -1.769 0.513 -5.308 292 3HG2 VAL 43 3HG2 VAL 43 -2.360 2.174 -5.393 293 H LEU 44 HN LEU 44 0.411 -1.485 -3.872 294 HA LEU 44 HA LEU 44 2.620 0.143 -4.806 295 1HB LEU 44 HB2 LEU 44 2.333 -2.460 -3.801 296 2HB LEU 44 HB1 LEU 44 2.833 -2.651 -5.471 297 HG LEU 44 HG LEU 44 4.292 -1.170 -3.292 298 1HD1 LEU 44 1HD1 LEU 44 5.055 -3.254 -2.978 299 2HD1 LEU 44 2HD1 LEU 44 6.016 -2.918 -4.415 300 3HD1 LEU 44 3HD1 LEU 44 4.504 -3.803 -4.559 301 1HD2 LEU 44 1HD2 LEU 44 6.038 -1.028 -5.234 302 2HD2 LEU 44 2HD2 LEU 44 4.769 0.188 -5.088 303 3HD2 LEU 44 3HD2 LEU 44 4.606 -1.121 -6.260 304 H ALA 45 HN ALA 45 3.228 0.419 -6.891 305 HA ALA 45 HA ALA 45 1.286 -0.407 -8.939 306 1HB ALA 45 HB1 ALA 45 1.846 2.061 -8.531 307 2HB ALA 45 HB2 ALA 45 1.880 1.479 -10.194 308 3HB ALA 45 HB3 ALA 45 3.388 1.706 -9.309 309 H MET 46 HN MET 46 1.976 -2.326 -9.808 310 HA MET 46 HA MET 46 4.732 -3.015 -10.043 311 1HB MET 46 HB2 MET 46 2.166 -4.247 -10.899 312 2HB MET 46 HB1 MET 46 3.642 -4.803 -11.665 313 1HG MET 46 HG2 MET 46 3.312 -4.696 -8.685 314 2HG MET 46 HG1 MET 46 2.853 -6.097 -9.645 315 1HE MET 46 HE1 MET 46 4.903 -6.286 -11.867 316 2HE MET 46 HE2 MET 46 4.625 -7.718 -10.878 317 3HE MET 46 HE3 MET 46 6.272 -7.178 -11.205 318 H GLY 47 HN GLY 47 5.667 -1.352 -11.171 319 1HA GLY 47 HA2 GLY 47 6.751 -0.904 -13.250 320 2HA GLY 47 HA1 GLY 47 5.353 -1.562 -14.085 321 H GLN 48 HN GLN 48 6.105 1.097 -11.836 322 HA GLN 48 HA GLN 48 4.472 2.860 -13.542 323 1HB GLN 48 HB2 GLN 48 3.419 2.366 -11.337 324 2HB GLN 48 HB1 GLN 48 4.821 3.069 -10.546 325 1HG GLN 48 HG2 GLN 48 3.913 4.972 -12.406 326 2HG GLN 48 HG1 GLN 48 2.489 4.355 -11.571 327 1HE2 GLN 48 1HE2 GLN 48 4.104 6.931 -11.496 328 2HE2 GLN 48 2HE2 GLN 48 4.357 7.210 -9.811 329 H GLY 49 HN GLY 49 6.775 3.247 -10.845 330 1HA GLY 49 HA2 GLY 49 8.092 5.386 -12.369 331 2HA GLY 49 HA1 GLY 49 8.248 5.109 -10.639 332 H ARG 50 HN ARG 50 9.017 2.627 -10.325 333 HA ARG 50 HA ARG 50 10.830 1.496 -12.106 334 1HB ARG 50 HB2 ARG 50 12.985 2.163 -11.201 335 2HB ARG 50 HB1 ARG 50 12.115 3.580 -11.769 336 1HG ARG 50 HG2 ARG 50 12.234 4.529 -9.775 337 2HG ARG 50 HG1 ARG 50 11.528 3.107 -9.003 338 1HD ARG 50 HD2 ARG 50 13.773 3.680 -8.130 339 2HD ARG 50 HD1 ARG 50 13.691 2.068 -8.830 340 HE ARG 50 HE ARG 50 14.893 4.408 -10.159 341 1HH1 ARG 50 1HH1 ARG 50 14.739 0.955 -9.613 342 2HH1 ARG 50 2HH1 ARG 50 16.103 0.616 -10.621 343 1HH2 ARG 50 1HH2 ARG 50 16.681 3.951 -11.481 344 2HH2 ARG 50 2HH2 ARG 50 17.204 2.312 -11.679 345 H MET 51 HN MET 51 9.161 0.119 -10.843 346 HA MET 51 HA MET 51 9.325 -0.619 -8.229 347 1HB MET 51 HB2 MET 51 7.842 -1.518 -10.173 348 2HB MET 51 HB1 MET 51 9.088 -2.750 -10.325 349 1HG MET 51 HG2 MET 51 7.880 -3.880 -8.835 350 2HG MET 51 HG1 MET 51 8.601 -2.793 -7.649 351 1HE MET 51 HE1 MET 51 5.768 0.064 -7.844 352 2HE MET 51 HE2 MET 51 7.384 -0.147 -8.521 353 3HE MET 51 HE3 MET 51 7.109 -0.399 -6.797 354 H ILE 52 HN ILE 52 11.024 -1.086 -7.028 355 HA ILE 52 HA ILE 52 13.493 -2.033 -8.062 356 HB ILE 52 HB ILE 52 13.873 -2.566 -5.498 357 1HG1 ILE 52 2HG1 ILE 52 11.650 -0.522 -5.353 358 2HG1 ILE 52 1HG1 ILE 52 11.431 -2.227 -4.971 359 1HG2 ILE 52 1HG2 ILE 52 13.747 0.123 -6.821 360 2HG2 ILE 52 2HG2 ILE 52 15.151 -0.911 -6.548 361 3HG2 ILE 52 3HG2 ILE 52 14.379 -0.093 -5.189 362 1HD1 ILE 52 1HD1 ILE 52 11.901 -0.462 -3.100 363 2HD1 ILE 52 2HD1 ILE 52 13.580 -0.715 -3.581 364 3HD1 ILE 52 3HD1 ILE 52 12.607 -2.077 -3.021 365 HA PRO 53 HA PRO 53 13.123 -6.416 -8.088 366 1HB PRO 53 HB2 PRO 53 15.340 -7.228 -6.673 367 2HB PRO 53 HB1 PRO 53 15.371 -6.718 -8.364 368 1HG PRO 53 HG2 PRO 53 16.042 -5.161 -5.901 369 2HG PRO 53 HG1 PRO 53 16.871 -5.188 -7.469 370 1HD PRO 53 HD2 PRO 53 15.237 -3.175 -6.785 371 2HD PRO 53 HD1 PRO 53 15.314 -3.775 -8.454 372 H GLY 54 HN GLY 54 13.441 -4.743 -5.071 373 1HA GLY 54 HA2 GLY 54 12.970 -6.923 -3.321 374 2HA GLY 54 HA1 GLY 54 12.737 -5.221 -2.948 375 H PHE 55 HN PHE 55 10.764 -4.310 -4.338 376 HA PHE 55 HA PHE 55 8.496 -5.640 -3.293 377 1HB PHE 55 HB2 PHE 55 8.862 -3.248 -5.082 378 2HB PHE 55 HB1 PHE 55 7.265 -3.882 -4.724 379 HD1 PHE 55 HD1 PHE 55 6.679 -4.107 -2.169 380 HD2 PHE 55 HD2 PHE 55 9.789 -1.648 -3.730 381 HE1 PHE 55 HE1 PHE 55 6.628 -2.758 -0.131 382 HE2 PHE 55 HE2 PHE 55 9.738 -0.288 -1.682 383 HZ PHE 55 HZ PHE 55 8.150 -0.839 0.116 384 H GLU 56 HN GLU 56 9.780 -5.153 -6.548 385 HA GLU 56 HA GLU 56 7.771 -6.351 -8.024 386 1HB GLU 56 HB2 GLU 56 9.877 -5.143 -8.839 387 2HB GLU 56 HB1 GLU 56 10.695 -6.691 -8.664 388 1HG GLU 56 HG2 GLU 56 8.181 -6.629 -10.231 389 2HG GLU 56 HG1 GLU 56 9.619 -5.905 -10.948 390 H ASP 57 HN ASP 57 10.018 -7.789 -5.847 391 HA ASP 57 HA ASP 57 9.824 -10.440 -6.939 392 1HB ASP 57 HB2 ASP 57 11.485 -9.145 -5.056 393 2HB ASP 57 HB1 ASP 57 10.685 -10.452 -4.198 394 H GLY 58 HN GLY 58 9.103 -9.512 -3.563 395 1HA GLY 58 HA2 GLY 58 7.244 -11.606 -3.244 396 2HA GLY 58 HA1 GLY 58 7.431 -10.234 -2.164 397 H ILE 59 HN ILE 59 6.674 -8.127 -3.547 398 HA ILE 59 HA ILE 59 3.842 -8.465 -3.806 399 HB ILE 59 HB ILE 59 5.442 -5.950 -4.333 400 1HG1 ILE 59 2HG1 ILE 59 4.913 -5.553 -1.822 401 2HG1 ILE 59 1HG1 ILE 59 4.829 -7.293 -1.714 402 1HG2 ILE 59 1HG2 ILE 59 3.324 -5.324 -4.750 403 2HG2 ILE 59 2HG2 ILE 59 3.226 -5.208 -2.994 404 3HG2 ILE 59 3HG2 ILE 59 2.630 -6.649 -3.815 405 1HD1 ILE 59 1HD1 ILE 59 7.061 -5.707 -1.449 406 2HD1 ILE 59 2HD1 ILE 59 7.200 -6.381 -3.068 407 3HD1 ILE 59 3HD1 ILE 59 7.041 -7.453 -1.685 408 H LYS 60 HN LYS 60 5.310 -9.799 -5.680 409 HA LYS 60 HA LYS 60 5.502 -8.598 -8.233 410 1HB LYS 60 HB2 LYS 60 4.779 -10.937 -9.129 411 2HB LYS 60 HB1 LYS 60 6.310 -10.793 -8.280 412 1HG LYS 60 HG2 LYS 60 4.717 -11.423 -6.215 413 2HG LYS 60 HG1 LYS 60 3.843 -12.218 -7.525 414 1HD LYS 60 HD2 LYS 60 6.783 -12.579 -6.957 415 2HD LYS 60 HD1 LYS 60 5.519 -13.686 -6.429 416 1HE LYS 60 HE2 LYS 60 4.975 -14.260 -8.667 417 2HE LYS 60 HE1 LYS 60 5.951 -12.940 -9.312 418 1HZ LYS 60 HZ1 LYS 60 6.860 -15.478 -8.102 419 2HZ LYS 60 HZ2 LYS 60 7.890 -14.141 -8.202 420 3HZ LYS 60 HZ3 LYS 60 7.255 -14.823 -9.613 421 H GLY 61 HN GLY 61 2.864 -10.281 -6.662 422 1HA GLY 61 HA2 GLY 61 0.642 -9.268 -6.532 423 2HA GLY 61 HA1 GLY 61 0.906 -8.675 -8.168 424 H HIS 62 HN HIS 62 1.523 -11.788 -6.673 425 HA HIS 62 HA HIS 62 -0.306 -13.025 -8.649 426 1HB HIS 62 HB2 HIS 62 1.198 -14.849 -8.960 427 2HB HIS 62 HB1 HIS 62 2.142 -13.374 -9.126 428 HD2 HIS 62 HD2 HIS 62 2.309 -13.219 -5.637 429 HE1 HIS 62 HE1 HIS 62 4.832 -16.553 -6.362 430 HE2 HIS 62 HE2 HIS 62 4.184 -14.749 -4.725 431 H LYS 63 HN LYS 63 -0.134 -12.396 -5.501 432 HA LYS 63 HA LYS 63 -1.645 -14.804 -4.821 433 1HB LYS 63 HB2 LYS 63 0.557 -13.723 -3.060 434 2HB LYS 63 HB1 LYS 63 -0.474 -15.105 -2.723 435 1HG LYS 63 HG2 LYS 63 0.823 -15.500 -5.234 436 2HG LYS 63 HG1 LYS 63 2.020 -15.069 -4.013 437 1HD LYS 63 HD2 LYS 63 1.290 -16.853 -2.583 438 2HD LYS 63 HD1 LYS 63 -0.065 -17.215 -3.654 439 1HE LYS 63 HE2 LYS 63 1.217 -18.374 -5.095 440 2HE LYS 63 HE1 LYS 63 2.577 -17.263 -4.936 441 1HZ LYS 63 HZ1 LYS 63 1.948 -19.663 -3.396 442 2HZ LYS 63 HZ2 LYS 63 2.677 -18.382 -2.565 443 3HZ LYS 63 HZ3 LYS 63 3.447 -19.067 -3.906 444 H ALA 64 HN ALA 64 -3.481 -13.424 -4.898 445 HA ALA 64 HA ALA 64 -3.766 -11.048 -3.443 446 1HB ALA 64 HB1 ALA 64 -5.332 -11.557 -5.169 447 2HB ALA 64 HB2 ALA 64 -6.220 -11.484 -3.647 448 3HB ALA 64 HB3 ALA 64 -5.821 -13.047 -4.361 449 H GLY 65 HN GLY 65 -3.070 -11.148 -1.317 450 1HA GLY 65 HA2 GLY 65 -3.882 -11.310 0.932 451 2HA GLY 65 HA1 GLY 65 -4.778 -12.747 0.468 452 H GLU 66 HN GLU 66 -1.401 -12.070 -0.255 453 HA GLU 66 HA GLU 66 -0.655 -14.528 1.149 454 1HB GLU 66 HB2 GLU 66 -0.042 -14.229 -1.227 455 2HB GLU 66 HB1 GLU 66 0.933 -12.842 -0.789 456 1HG GLU 66 HG2 GLU 66 2.303 -14.804 -1.144 457 2HG GLU 66 HG1 GLU 66 2.392 -14.275 0.533 458 H GLU 67 HN GLU 67 1.529 -14.531 2.194 459 HA GLU 67 HA GLU 67 2.190 -11.985 3.494 460 1HB GLU 67 HB2 GLU 67 2.557 -13.247 5.633 461 2HB GLU 67 HB1 GLU 67 0.875 -13.121 5.142 462 1HG GLU 67 HG2 GLU 67 0.855 -15.382 4.376 463 2HG GLU 67 HG1 GLU 67 2.595 -15.529 4.613 464 H PHE 68 HN PHE 68 4.180 -11.566 2.741 465 HA PHE 68 HA PHE 68 6.225 -13.661 3.016 466 1HB PHE 68 HB2 PHE 68 7.154 -12.951 0.784 467 2HB PHE 68 HB1 PHE 68 5.618 -13.814 0.709 468 HD1 PHE 68 HD1 PHE 68 3.655 -12.771 -0.089 469 HD2 PHE 68 HD2 PHE 68 7.216 -10.519 0.476 470 HE1 PHE 68 HE1 PHE 68 2.649 -10.889 -1.298 471 HE2 PHE 68 HE2 PHE 68 6.210 -8.627 -0.743 472 HZ PHE 68 HZ PHE 68 3.921 -8.816 -1.635 473 H THR 69 HN THR 69 8.458 -12.744 2.713 474 HA THR 69 HA THR 69 8.587 -9.962 3.650 475 HB THR 69 HB THR 69 10.359 -12.232 4.571 476 HG1 THR 69 HG1 THR 69 9.058 -12.468 6.198 477 1HG2 THR 69 1HG2 THR 69 11.160 -10.695 6.263 478 2HG2 THR 69 2HG2 THR 69 10.167 -9.406 5.582 479 3HG2 THR 69 3HG2 THR 69 11.499 -10.084 4.646 480 H ILE 70 HN ILE 70 9.888 -8.655 2.468 481 HA ILE 70 HA ILE 70 12.021 -9.944 0.905 482 HB ILE 70 HB ILE 70 11.527 -8.665 -1.069 483 1HG1 ILE 70 2HG1 ILE 70 10.549 -6.690 0.141 484 2HG1 ILE 70 1HG1 ILE 70 9.665 -7.177 -1.298 485 1HG2 ILE 70 1HG2 ILE 70 9.058 -9.550 -1.415 486 2HG2 ILE 70 2HG2 ILE 70 9.429 -10.413 0.076 487 3HG2 ILE 70 3HG2 ILE 70 10.444 -10.636 -1.349 488 1HD1 ILE 70 1HD1 ILE 70 8.261 -8.547 0.471 489 2HD1 ILE 70 2HD1 ILE 70 7.937 -6.848 0.126 490 3HD1 ILE 70 3HD1 ILE 70 8.875 -7.294 1.550 491 H ASP 71 HN ASP 71 13.513 -8.281 -0.047 492 HA ASP 71 HA ASP 71 14.095 -6.289 2.012 493 1HB ASP 71 HB2 ASP 71 15.706 -7.575 -0.184 494 2HB ASP 71 HB1 ASP 71 16.245 -6.068 0.552 495 H VAL 72 HN VAL 72 14.421 -4.069 1.430 496 HA VAL 72 HA VAL 72 13.693 -3.323 -1.292 497 HB VAL 72 HB VAL 72 12.154 -1.513 -0.300 498 1HG1 VAL 72 1HG1 VAL 72 11.217 -4.377 -0.293 499 2HG1 VAL 72 2HG1 VAL 72 11.435 -3.379 -1.732 500 3HG1 VAL 72 3HG1 VAL 72 10.218 -2.940 -0.528 501 1HG2 VAL 72 1HG2 VAL 72 12.924 -2.470 2.077 502 2HG2 VAL 72 2HG2 VAL 72 11.467 -3.437 1.833 503 3HG2 VAL 72 3HG2 VAL 72 11.373 -1.677 1.812 504 H THR 73 HN THR 73 14.818 -1.599 -2.005 505 HA THR 73 HA THR 73 15.833 0.364 -0.153 506 HB THR 73 HB THR 73 17.596 -1.447 -1.811 507 HG1 THR 73 HG1 THR 73 17.216 -2.027 0.367 508 1HG2 THR 73 1HG2 THR 73 18.820 0.346 -2.336 509 2HG2 THR 73 2HG2 THR 73 19.347 0.264 -0.656 510 3HG2 THR 73 3HG2 THR 73 18.046 1.362 -1.119 511 H PHE 74 HN PHE 74 15.391 2.275 -1.096 512 HA PHE 74 HA PHE 74 14.718 2.294 -3.895 513 1HB PHE 74 HB2 PHE 74 14.516 4.352 -1.714 514 2HB PHE 74 HB1 PHE 74 14.096 4.694 -3.390 515 HD1 PHE 74 HD1 PHE 74 13.447 1.915 -0.962 516 HD2 PHE 74 HD2 PHE 74 11.865 4.637 -3.815 517 HE1 PHE 74 HE1 PHE 74 11.201 0.960 -0.628 518 HE2 PHE 74 HE2 PHE 74 9.618 3.698 -3.488 519 HZ PHE 74 HZ PHE 74 9.282 1.861 -1.889 520 HA PRO 75 HA PRO 75 18.736 3.649 -5.198 521 1HB PRO 75 HB2 PRO 75 18.080 4.345 -7.739 522 2HB PRO 75 HB1 PRO 75 18.255 2.666 -7.216 523 1HG PRO 75 HG2 PRO 75 15.761 4.294 -7.553 524 2HG PRO 75 HG1 PRO 75 16.078 2.620 -8.042 525 1HD PRO 75 HD2 PRO 75 14.703 3.234 -5.805 526 2HD PRO 75 HD1 PRO 75 15.747 1.801 -5.914 527 H GLU 76 HN GLU 76 19.708 5.572 -6.339 528 HA GLU 76 HA GLU 76 18.883 7.959 -5.033 529 1HB GLU 76 HB2 GLU 76 20.737 9.014 -6.212 530 2HB GLU 76 HB1 GLU 76 21.236 7.472 -5.535 531 1HG GLU 76 HG2 GLU 76 21.666 6.584 -7.542 532 2HG GLU 76 HG1 GLU 76 20.246 7.320 -8.284 533 H GLU 77 HN GLU 77 17.823 6.472 -7.868 534 HA GLU 77 HA GLU 77 17.151 8.921 -9.267 535 1HB GLU 77 HB2 GLU 77 16.075 6.239 -10.047 536 2HB GLU 77 HB1 GLU 77 16.541 7.589 -11.070 537 1HG GLU 77 HG2 GLU 77 18.838 6.640 -9.656 538 2HG GLU 77 HG1 GLU 77 18.026 5.287 -10.440 539 H TYR 78 HN TYR 78 15.581 6.454 -7.330 540 HA TYR 78 HA TYR 78 12.904 7.274 -7.799 541 1HB TYR 78 HB2 TYR 78 13.807 5.074 -6.755 542 2HB TYR 78 HB1 TYR 78 13.822 5.970 -5.245 543 HD1 TYR 78 HD1 TYR 78 11.929 3.906 -7.329 544 HD2 TYR 78 HD2 TYR 78 11.530 7.181 -4.642 545 HE1 TYR 78 HE1 TYR 78 9.558 3.359 -7.033 546 HE2 TYR 78 HE2 TYR 78 9.151 6.646 -4.342 547 HH TYR 78 HH TYR 78 7.798 3.868 -4.969 548 H HIS 79 HN HIS 79 14.740 7.546 -4.786 549 HA HIS 79 HA HIS 79 14.365 8.915 -2.992 550 1HB HIS 79 HB2 HIS 79 15.432 10.468 -5.281 551 2HB HIS 79 HB1 HIS 79 15.002 11.352 -3.819 552 HD2 HIS 79 HD2 HIS 79 16.543 7.824 -3.352 553 HE1 HIS 79 HE1 HIS 79 19.504 10.693 -2.354 554 HE2 HIS 79 HE2 HIS 79 18.836 8.267 -2.244 555 H ALA 80 HN ALA 80 12.029 8.572 -2.811 556 HA ALA 80 HA ALA 80 10.277 10.603 -3.896 557 1HB ALA 80 HB1 ALA 80 9.908 7.992 -3.111 558 2HB ALA 80 HB2 ALA 80 8.629 9.151 -3.475 559 3HB ALA 80 HB3 ALA 80 9.152 8.909 -1.808 560 H GLU 81 HN GLU 81 9.123 12.122 -2.680 561 HA GLU 81 HA GLU 81 10.507 13.533 -0.762 562 1HB GLU 81 HB2 GLU 81 7.749 13.527 -1.794 563 2HB GLU 81 HB1 GLU 81 7.946 14.257 -0.206 564 1HG GLU 81 HG2 GLU 81 9.530 15.023 -2.647 565 2HG GLU 81 HG1 GLU 81 8.091 15.867 -2.074 566 H ASN 82 HN ASN 82 8.436 10.764 -0.277 567 HA ASN 82 HA ASN 82 8.295 11.281 2.587 568 1HB ASN 82 HB2 ASN 82 6.838 9.224 2.595 569 2HB ASN 82 HB1 ASN 82 6.233 10.583 1.653 570 1HD2 ASN 82 1HD2 ASN 82 8.049 7.575 1.377 571 2HD2 ASN 82 2HD2 ASN 82 7.507 7.182 -0.214 572 H LEU 83 HN LEU 83 9.753 8.882 0.404 573 HA LEU 83 HA LEU 83 11.299 7.935 2.715 574 1HB LEU 83 HB2 LEU 83 10.903 5.695 2.329 575 2HB LEU 83 HB1 LEU 83 9.339 6.436 2.103 576 HG LEU 83 HG LEU 83 9.309 5.014 0.334 577 1HD1 LEU 83 1HD1 LEU 83 10.999 6.692 -1.370 578 2HD1 LEU 83 2HD1 LEU 83 9.743 7.561 -0.494 579 3HD1 LEU 83 3HD1 LEU 83 9.310 6.217 -1.542 580 1HD2 LEU 83 1HD2 LEU 83 11.121 4.003 -0.676 581 2HD2 LEU 83 2HD2 LEU 83 11.619 4.203 0.997 582 3HD2 LEU 83 3HD2 LEU 83 12.222 5.300 -0.245 583 H LYS 84 HN LYS 84 11.834 9.592 0.212 584 HA LYS 84 HA LYS 84 13.336 8.554 -1.706 585 1HB LYS 84 HB2 LYS 84 14.898 10.512 -1.519 586 2HB LYS 84 HB1 LYS 84 13.191 10.914 -1.567 587 1HG LYS 84 HG2 LYS 84 13.160 11.662 0.582 588 2HG LYS 84 HG1 LYS 84 14.460 10.582 1.093 589 1HD LYS 84 HD2 LYS 84 16.107 12.005 0.377 590 2HD LYS 84 HD1 LYS 84 15.094 12.718 -0.880 591 1HE LYS 84 HE2 LYS 84 13.914 14.039 0.703 592 2HE LYS 84 HE1 LYS 84 14.625 13.163 2.059 593 1HZ LYS 84 HZ1 LYS 84 16.547 14.315 1.917 594 2HZ LYS 84 HZ2 LYS 84 15.545 15.489 1.226 595 3HZ LYS 84 HZ3 LYS 84 16.474 14.482 0.234 596 H GLY 85 HN GLY 85 14.979 7.259 -2.005 597 1HA GLY 85 HA2 GLY 85 16.744 5.862 -1.574 598 2HA GLY 85 HA1 GLY 85 17.428 7.259 -0.760 599 H LYS 86 HN LYS 86 14.766 4.987 -0.009 600 HA LYS 86 HA LYS 86 15.843 4.800 2.707 601 1HB LYS 86 HB2 LYS 86 13.310 5.225 1.943 602 2HB LYS 86 HB1 LYS 86 13.287 3.471 2.033 603 1HG LYS 86 HG2 LYS 86 12.550 4.346 4.115 604 2HG LYS 86 HG1 LYS 86 14.148 3.643 4.355 605 1HD LYS 86 HD2 LYS 86 14.472 5.614 5.441 606 2HD LYS 86 HD1 LYS 86 14.882 6.145 3.808 607 1HE LYS 86 HE2 LYS 86 12.172 6.483 3.850 608 2HE LYS 86 HE1 LYS 86 12.611 6.865 5.515 609 1HZ LYS 86 HZ1 LYS 86 14.101 8.541 4.767 610 2HZ LYS 86 HZ2 LYS 86 12.628 8.795 3.976 611 3HZ LYS 86 HZ3 LYS 86 13.919 8.084 3.148 612 H ALA 87 HN ALA 87 17.533 3.349 2.432 613 HA ALA 87 HA ALA 87 17.116 0.770 1.203 614 1HB ALA 87 HB1 ALA 87 19.417 0.475 2.601 615 2HB ALA 87 HB2 ALA 87 19.372 2.229 2.418 616 3HB ALA 87 HB3 ALA 87 19.329 1.193 0.993 617 H ALA 88 HN ALA 88 15.480 -0.295 2.328 618 HA ALA 88 HA ALA 88 16.126 -0.956 5.119 619 1HB ALA 88 HB1 ALA 88 14.248 0.835 4.573 620 2HB ALA 88 HB2 ALA 88 14.110 -0.285 5.926 621 3HB ALA 88 HB3 ALA 88 13.274 -0.625 4.413 622 H LYS 89 HN LYS 89 14.189 -2.472 5.854 623 HA LYS 89 HA LYS 89 14.012 -4.748 3.989 624 1HB LYS 89 HB2 LYS 89 15.185 -4.630 6.661 625 2HB LYS 89 HB1 LYS 89 13.898 -5.822 6.566 626 1HG LYS 89 HG2 LYS 89 15.383 -7.233 5.729 627 2HG LYS 89 HG1 LYS 89 15.411 -6.239 4.272 628 1HD LYS 89 HD2 LYS 89 17.084 -5.377 6.570 629 2HD LYS 89 HD1 LYS 89 17.615 -6.788 5.651 630 1HE LYS 89 HE2 LYS 89 17.197 -5.282 3.583 631 2HE LYS 89 HE1 LYS 89 17.264 -3.957 4.743 632 1HZ LYS 89 HZ1 LYS 89 19.465 -4.113 4.858 633 2HZ LYS 89 HZ2 LYS 89 19.397 -5.137 3.514 634 3HZ LYS 89 HZ3 LYS 89 19.432 -5.790 5.074 635 H PHE 90 HN PHE 90 11.959 -5.735 3.947 636 HA PHE 90 HA PHE 90 9.965 -4.725 5.858 637 1HB PHE 90 HB2 PHE 90 9.518 -4.874 2.875 638 2HB PHE 90 HB1 PHE 90 8.278 -4.543 4.071 639 HD1 PHE 90 HD1 PHE 90 8.415 -2.852 1.916 640 HD2 PHE 90 HD2 PHE 90 10.794 -2.761 5.416 641 HE1 PHE 90 HE1 PHE 90 8.753 -0.414 1.625 642 HE2 PHE 90 HE2 PHE 90 11.154 -0.343 5.145 643 HZ PHE 90 HZ PHE 90 10.124 0.837 3.240 644 H ALA 91 HN ALA 91 8.125 -6.091 6.158 645 HA ALA 91 HA ALA 91 8.291 -8.733 4.906 646 1HB ALA 91 HB1 ALA 91 8.480 -9.653 6.951 647 2HB ALA 91 HB2 ALA 91 6.928 -8.932 7.382 648 3HB ALA 91 HB3 ALA 91 8.426 -8.056 7.698 649 H ILE 92 HN ILE 92 6.748 -8.498 3.430 650 HA ILE 92 HA ILE 92 4.362 -6.954 4.066 651 HB ILE 92 HB ILE 92 5.229 -7.999 1.382 652 1HG1 ILE 92 2HG1 ILE 92 6.091 -5.541 2.881 653 2HG1 ILE 92 1HG1 ILE 92 7.057 -6.684 1.986 654 1HG2 ILE 92 1HG2 ILE 92 2.993 -7.378 1.269 655 2HG2 ILE 92 2HG2 ILE 92 3.876 -5.995 0.627 656 3HG2 ILE 92 3HG2 ILE 92 3.241 -5.947 2.271 657 1HD1 ILE 92 1HD1 ILE 92 5.419 -5.585 0.062 658 2HD1 ILE 92 2HD1 ILE 92 7.101 -5.159 0.377 659 3HD1 ILE 92 3HD1 ILE 92 5.804 -4.228 1.120 660 H ASN 93 HN ASN 93 2.332 -7.521 3.119 661 HA ASN 93 HA ASN 93 1.801 -10.372 2.782 662 1HB ASN 93 HB2 ASN 93 -0.066 -8.615 4.370 663 2HB ASN 93 HB1 ASN 93 -0.063 -10.370 4.250 664 1HD2 ASN 93 1HD2 ASN 93 0.198 -8.304 6.484 665 2HD2 ASN 93 2HD2 ASN 93 1.538 -8.879 7.410 666 H LEU 94 HN LEU 94 1.247 -10.364 0.663 667 HA LEU 94 HA LEU 94 0.090 -8.195 -0.691 668 1HB LEU 94 HB2 LEU 94 1.365 -10.193 -1.640 669 2HB LEU 94 HB1 LEU 94 -0.164 -11.043 -1.595 670 HG LEU 94 HG LEU 94 -1.114 -9.236 -3.058 671 1HD1 LEU 94 1HD1 LEU 94 1.121 -8.230 -4.313 672 2HD1 LEU 94 2HD1 LEU 94 1.546 -8.146 -2.603 673 3HD1 LEU 94 3HD1 LEU 94 0.082 -7.356 -3.187 674 1HD2 LEU 94 1HD2 LEU 94 -0.609 -10.467 -4.865 675 2HD2 LEU 94 2HD2 LEU 94 0.240 -11.497 -3.711 676 3HD2 LEU 94 3HD2 LEU 94 1.130 -10.283 -4.633 677 H LYS 95 HN LYS 95 -1.972 -8.019 -1.727 678 HA LYS 95 HA LYS 95 -4.130 -9.643 -0.694 679 1HB LYS 95 HB2 LYS 95 -3.987 -6.676 -0.139 680 2HB LYS 95 HB1 LYS 95 -5.428 -7.656 0.073 681 1HG LYS 95 HG2 LYS 95 -4.438 -8.899 1.827 682 2HG LYS 95 HG1 LYS 95 -2.841 -8.230 1.489 683 1HD LYS 95 HD2 LYS 95 -3.283 -6.271 2.547 684 2HD LYS 95 HD1 LYS 95 -4.992 -6.295 2.103 685 1HE LYS 95 HE2 LYS 95 -5.422 -7.999 3.786 686 2HE LYS 95 HE1 LYS 95 -3.709 -8.040 4.203 687 1HZ LYS 95 HZ1 LYS 95 -5.396 -6.612 5.573 688 2HZ LYS 95 HZ2 LYS 95 -5.118 -5.475 4.350 689 3HZ LYS 95 HZ3 LYS 95 -3.826 -6.049 5.279 690 H LYS 96 HN LYS 96 -5.174 -6.588 -1.705 691 HA LYS 96 HA LYS 96 -6.384 -7.678 -4.023 692 1HB LYS 96 HB2 LYS 96 -6.168 -4.803 -3.132 693 2HB LYS 96 HB1 LYS 96 -7.243 -5.399 -4.388 694 1HG LYS 96 HG2 LYS 96 -8.007 -7.011 -2.414 695 2HG LYS 96 HG1 LYS 96 -7.436 -5.648 -1.449 696 1HD LYS 96 HD2 LYS 96 -8.892 -4.149 -2.759 697 2HD LYS 96 HD1 LYS 96 -9.496 -5.547 -3.651 698 1HE LYS 96 HE2 LYS 96 -10.731 -6.309 -1.896 699 2HE LYS 96 HE1 LYS 96 -9.618 -5.660 -0.691 700 1HZ LYS 96 HZ1 LYS 96 -11.344 -4.232 -0.436 701 2HZ LYS 96 HZ2 LYS 96 -11.859 -4.358 -2.042 702 3HZ LYS 96 HZ3 LYS 96 -10.519 -3.402 -1.658 703 H VAL 97 HN VAL 97 -5.124 -8.266 -5.691 704 HA VAL 97 HA VAL 97 -3.229 -6.305 -6.779 705 HB VAL 97 HB VAL 97 -2.036 -8.281 -6.247 706 1HG1 VAL 97 1HG1 VAL 97 -3.179 -10.159 -5.889 707 2HG1 VAL 97 2HG1 VAL 97 -3.154 -10.414 -7.635 708 3HG1 VAL 97 3HG1 VAL 97 -4.527 -9.604 -6.885 709 1HG2 VAL 97 1HG2 VAL 97 -2.355 -7.497 -8.943 710 2HG2 VAL 97 2HG2 VAL 97 -2.227 -9.254 -8.926 711 3HG2 VAL 97 3HG2 VAL 97 -0.964 -8.272 -8.190 712 H GLU 98 HN GLU 98 -4.179 -5.185 -8.382 713 HA GLU 98 HA GLU 98 -5.594 -6.680 -10.473 714 1HB GLU 98 HB2 GLU 98 -6.617 -4.140 -9.196 715 2HB GLU 98 HB1 GLU 98 -7.349 -4.957 -10.570 716 1HG GLU 98 HG2 GLU 98 -8.640 -5.949 -9.050 717 2HG GLU 98 HG1 GLU 98 -7.234 -6.958 -8.722 718 H GLU 99 HN GLU 99 -5.841 -5.380 -12.518 719 HA GLU 99 HA GLU 99 -3.392 -3.880 -12.982 720 1HB GLU 99 HB2 GLU 99 -4.058 -5.741 -14.500 721 2HB GLU 99 HB1 GLU 99 -5.407 -4.752 -15.018 722 1HG GLU 99 HG2 GLU 99 -2.727 -3.531 -15.174 723 2HG GLU 99 HG1 GLU 99 -3.108 -4.809 -16.327 724 H ARG 100 HN ARG 100 -3.609 -1.867 -12.272 725 HA ARG 100 HA ARG 100 -5.936 -0.260 -12.746 726 1HB ARG 100 HB2 ARG 100 -4.612 1.550 -11.779 727 2HB ARG 100 HB1 ARG 100 -4.479 0.097 -10.795 728 1HG ARG 100 HG2 ARG 100 -2.279 0.141 -10.979 729 2HG ARG 100 HG1 ARG 100 -2.399 0.069 -12.734 730 1HD ARG 100 HD2 ARG 100 -2.950 2.629 -12.464 731 2HD ARG 100 HD1 ARG 100 -2.076 2.433 -10.951 732 HE ARG 100 HE ARG 100 -0.171 1.657 -12.276 733 1HH1 ARG 100 1HH1 ARG 100 -2.678 3.443 -13.941 734 2HH1 ARG 100 2HH1 ARG 100 -1.633 3.939 -15.226 735 1HH2 ARG 100 1HH2 ARG 100 1.190 2.311 -13.973 736 2HH2 ARG 100 2HH2 ARG 100 0.555 3.298 -15.247 737 H GLU 101 HN GLU 101 -5.663 1.920 -13.804 738 HA GLU 101 HA GLU 101 -3.731 2.335 -15.814 739 1HB GLU 101 HB2 GLU 101 -5.747 0.507 -16.546 740 2HB GLU 101 HB1 GLU 101 -6.136 2.010 -17.371 741 1HG GLU 101 HG2 GLU 101 -3.400 1.700 -17.732 742 2HG GLU 101 HG1 GLU 101 -4.065 0.079 -17.923 743 H LEU 102 HN LEU 102 -3.622 4.462 -15.441 744 HA LEU 102 HA LEU 102 -5.905 6.038 -14.801 745 1HB LEU 102 HB2 LEU 102 -3.164 6.984 -15.607 746 2HB LEU 102 HB1 LEU 102 -4.378 7.899 -14.729 747 HG LEU 102 HG LEU 102 -3.461 5.351 -13.519 748 1HD1 LEU 102 1HD1 LEU 102 -1.567 7.214 -14.392 749 2HD1 LEU 102 2HD1 LEU 102 -1.328 5.898 -13.243 750 3HD1 LEU 102 3HD1 LEU 102 -1.760 7.507 -12.663 751 1HD2 LEU 102 1HD2 LEU 102 -4.405 8.035 -12.596 752 2HD2 LEU 102 2HD2 LEU 102 -3.556 6.949 -11.495 753 3HD2 LEU 102 3HD2 LEU 102 -5.064 6.436 -12.251 754 HA PRO 103 HA PRO 103 -7.466 7.148 -18.784 755 1HB PRO 103 HB2 PRO 103 -7.584 9.932 -17.740 756 2HB PRO 103 HB1 PRO 103 -8.858 8.945 -18.463 757 1HG PRO 103 HG2 PRO 103 -8.790 9.387 -15.833 758 2HG PRO 103 HG1 PRO 103 -9.287 7.816 -16.487 759 1HD PRO 103 HD2 PRO 103 -6.714 8.609 -15.204 760 2HD PRO 103 HD1 PRO 103 -7.595 7.070 -15.118 761 H GLU 104 HN GLU 104 -6.729 7.969 -20.697 762 HA GLU 104 HA GLU 104 -4.037 9.070 -20.674 763 1HB GLU 104 HB2 GLU 104 -5.469 7.342 -22.384 764 2HB GLU 104 HB1 GLU 104 -5.142 8.795 -23.318 765 1HG GLU 104 HG2 GLU 104 -2.925 8.412 -23.394 766 2HG GLU 104 HG1 GLU 104 -2.877 7.725 -21.771 767 H LEU 105 HN LEU 105 -4.105 11.203 -20.186 768 HA LEU 105 HA LEU 105 -6.056 12.933 -21.478 769 1HB LEU 105 HB2 LEU 105 -5.293 13.066 -19.020 770 2HB LEU 105 HB1 LEU 105 -3.846 13.829 -19.650 771 HG LEU 105 HG LEU 105 -6.420 14.989 -20.541 772 1HD1 LEU 105 1HD1 LEU 105 -6.212 14.405 -17.868 773 2HD1 LEU 105 2HD1 LEU 105 -7.201 15.687 -18.568 774 3HD1 LEU 105 3HD1 LEU 105 -5.588 16.051 -17.957 775 1HD2 LEU 105 1HD2 LEU 105 -3.935 16.297 -19.457 776 2HD2 LEU 105 2HD2 LEU 105 -5.201 17.023 -20.447 777 3HD2 LEU 105 3HD2 LEU 105 -4.121 15.816 -21.143 778 H THR 106 HN THR 106 -5.592 13.441 -23.528 779 HA THR 106 HA THR 106 -2.817 14.140 -24.209 780 HB THR 106 HB THR 106 -5.014 13.597 -26.194 781 HG1 THR 106 HG1 THR 106 -4.902 11.566 -25.754 782 1HG2 THR 106 1HG2 THR 106 -2.941 14.597 -27.052 783 2HG2 THR 106 2HG2 THR 106 -3.228 12.973 -27.677 784 3HG2 THR 106 3HG2 THR 106 -2.038 13.229 -26.402 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -11.221 18.609 -1.989 2 2H GLY 1 HT2 GLY 1 -10.681 20.165 -1.605 3 3H GLY 1 HT3 GLY 1 -9.973 18.818 -0.868 4 1HA GLY 1 HA1 GLY 1 -9.110 20.107 -3.142 5 2HA GLY 1 HA2 GLY 1 -8.503 18.596 -2.486 6 H SER 2 HN SER 2 -8.181 18.667 -5.034 7 HA SER 2 HA SER 2 -10.380 18.026 -6.679 8 1HB SER 2 HB2 SER 2 -7.701 18.553 -7.090 9 2HB SER 2 HB1 SER 2 -7.836 16.851 -7.530 10 HG SER 2 HG SER 2 -8.284 18.539 -9.202 11 H HIS 3 HN HIS 3 -11.628 16.294 -6.525 12 HA HIS 3 HA HIS 3 -12.342 14.154 -6.252 13 1HB HIS 3 HB2 HIS 3 -9.527 13.797 -7.175 14 2HB HIS 3 HB1 HIS 3 -10.388 12.387 -6.564 15 HD2 HIS 3 HD2 HIS 3 -9.928 14.212 -9.813 16 HE1 HIS 3 HE1 HIS 3 -13.575 12.077 -10.209 17 HE2 HIS 3 HE2 HIS 3 -11.744 13.311 -11.423 18 H MET 4 HN MET 4 -12.902 14.308 -4.101 19 HA MET 4 HA MET 4 -11.108 14.140 -1.935 20 1HB MET 4 HB2 MET 4 -14.068 13.766 -2.238 21 2HB MET 4 HB1 MET 4 -13.287 13.394 -0.708 22 1HG MET 4 HG2 MET 4 -14.047 15.586 -0.482 23 2HG MET 4 HG1 MET 4 -12.321 15.737 -0.803 24 1HE MET 4 HE1 MET 4 -15.548 15.126 -2.447 25 2HE MET 4 HE2 MET 4 -15.178 15.513 -4.127 26 3HE MET 4 HE3 MET 4 -15.957 16.714 -3.098 27 H GLN 5 HN GLN 5 -13.347 11.677 -3.210 28 HA GLN 5 HA GLN 5 -11.883 9.605 -1.776 29 1HB GLN 5 HB2 GLN 5 -13.731 8.122 -2.562 30 2HB GLN 5 HB1 GLN 5 -14.271 9.479 -1.583 31 1HG GLN 5 HG2 GLN 5 -14.248 9.807 -4.533 32 2HG GLN 5 HG1 GLN 5 -15.493 8.790 -3.816 33 1HE2 GLN 5 1HE2 GLN 5 -16.507 9.865 -1.795 34 2HE2 GLN 5 2HE2 GLN 5 -16.980 11.513 -2.003 35 H ALA 6 HN ALA 6 -10.426 8.324 -2.703 36 HA ALA 6 HA ALA 6 -9.645 8.688 -5.409 37 1HB ALA 6 HB1 ALA 6 -8.812 6.760 -3.264 38 2HB ALA 6 HB2 ALA 6 -7.920 8.127 -3.929 39 3HB ALA 6 HB3 ALA 6 -8.157 6.675 -4.899 40 H THR 7 HN THR 7 -9.835 7.336 -7.174 41 HA THR 7 HA THR 7 -11.666 5.047 -6.918 42 HB THR 7 HB THR 7 -12.246 5.945 -9.416 43 HG1 THR 7 HG1 THR 7 -12.533 8.366 -8.233 44 1HG2 THR 7 1HG2 THR 7 -13.962 5.353 -7.854 45 2HG2 THR 7 2HG2 THR 7 -14.288 6.968 -8.483 46 3HG2 THR 7 3HG2 THR 7 -13.609 6.772 -6.867 47 H TRP 8 HN TRP 8 -11.484 3.482 -8.676 48 HA TRP 8 HA TRP 8 -9.009 3.638 -10.225 49 1HB TRP 8 HB2 TRP 8 -9.756 1.365 -8.377 50 2HB TRP 8 HB1 TRP 8 -8.519 1.241 -9.624 51 HD1 TRP 8 HD1 TRP 8 -9.257 3.575 -6.604 52 HE1 TRP 8 HE1 TRP 8 -7.013 4.155 -5.495 53 HE3 TRP 8 HE3 TRP 8 -6.109 1.063 -9.769 54 HZ2 TRP 8 HZ2 TRP 8 -4.268 3.621 -5.904 55 HZ3 TRP 8 HZ3 TRP 8 -3.694 1.158 -9.339 56 HH2 TRP 8 HH2 TRP 8 -2.792 2.405 -7.447 57 H LYS 9 HN LYS 9 -8.910 1.510 -11.630 58 HA LYS 9 HA LYS 9 -11.573 0.783 -12.608 59 1HB LYS 9 HB2 LYS 9 -9.456 1.413 -14.627 60 2HB LYS 9 HB1 LYS 9 -11.203 1.403 -14.814 61 1HG LYS 9 HG2 LYS 9 -10.016 3.440 -13.013 62 2HG LYS 9 HG1 LYS 9 -9.813 3.638 -14.753 63 1HD LYS 9 HD2 LYS 9 -12.530 2.952 -13.828 64 2HD LYS 9 HD1 LYS 9 -11.941 4.559 -13.398 65 1HE LYS 9 HE2 LYS 9 -11.815 3.466 -16.198 66 2HE LYS 9 HE1 LYS 9 -13.198 4.373 -15.587 67 1HZ LYS 9 HZ1 LYS 9 -10.678 5.668 -15.102 68 2HZ LYS 9 HZ2 LYS 9 -12.101 6.290 -15.773 69 3HZ LYS 9 HZ3 LYS 9 -11.004 5.451 -16.749 70 H GLU 10 HN GLU 10 -8.993 -0.343 -11.266 71 HA GLU 10 HA GLU 10 -7.975 -2.277 -13.045 72 1HB GLU 10 HB2 GLU 10 -6.955 -3.278 -11.044 73 2HB GLU 10 HB1 GLU 10 -6.686 -1.549 -11.136 74 1HG GLU 10 HG2 GLU 10 -8.746 -1.362 -9.605 75 2HG GLU 10 HG1 GLU 10 -8.467 -3.072 -9.285 76 H LYS 11 HN LYS 11 -8.485 -4.341 -13.439 77 HA LYS 11 HA LYS 11 -11.129 -5.217 -12.966 78 1HB LYS 11 HB2 LYS 11 -8.778 -6.895 -13.864 79 2HB LYS 11 HB1 LYS 11 -10.481 -7.233 -14.133 80 1HG LYS 11 HG2 LYS 11 -10.691 -5.499 -15.701 81 2HG LYS 11 HG1 LYS 11 -9.156 -4.772 -15.225 82 1HD LYS 11 HD2 LYS 11 -7.926 -6.245 -16.447 83 2HD LYS 11 HD1 LYS 11 -9.073 -7.566 -16.206 84 1HE LYS 11 HE2 LYS 11 -10.567 -6.637 -17.845 85 2HE LYS 11 HE1 LYS 11 -9.568 -5.191 -17.997 86 1HZ LYS 11 HZ1 LYS 11 -7.780 -6.583 -18.869 87 2HZ LYS 11 HZ2 LYS 11 -9.170 -6.701 -19.824 88 3HZ LYS 11 HZ3 LYS 11 -8.771 -7.949 -18.757 89 H ASP 12 HN ASP 12 -10.076 -8.103 -12.467 90 HA ASP 12 HA ASP 12 -9.429 -7.873 -9.632 91 1HB ASP 12 HB2 ASP 12 -11.991 -8.762 -10.721 92 2HB ASP 12 HB1 ASP 12 -11.261 -9.944 -9.637 93 H GLY 13 HN GLY 13 -8.121 -8.836 -12.199 94 1HA GLY 13 HA2 GLY 13 -7.755 -11.674 -11.585 95 2HA GLY 13 HA1 GLY 13 -7.197 -10.846 -13.031 96 H ALA 14 HN ALA 14 -5.206 -12.055 -12.558 97 HA ALA 14 HA ALA 14 -3.648 -11.499 -10.259 98 1HB ALA 14 HB1 ALA 14 -1.844 -12.301 -12.170 99 2HB ALA 14 HB2 ALA 14 -3.357 -13.017 -12.725 100 3HB ALA 14 HB3 ALA 14 -2.760 -13.362 -11.101 101 H VAL 15 HN VAL 15 -1.162 -10.857 -11.007 102 HA VAL 15 HA VAL 15 -1.273 -8.018 -11.366 103 HB VAL 15 HB VAL 15 0.492 -9.118 -10.023 104 1HG1 VAL 15 1HG1 VAL 15 1.952 -9.825 -12.518 105 2HG1 VAL 15 2HG1 VAL 15 0.764 -10.949 -11.856 106 3HG1 VAL 15 3HG1 VAL 15 2.148 -10.453 -10.881 107 1HG2 VAL 15 1HG2 VAL 15 2.442 -7.838 -11.258 108 2HG2 VAL 15 2HG2 VAL 15 1.128 -6.972 -10.464 109 3HG2 VAL 15 3HG2 VAL 15 1.101 -7.203 -12.211 110 H GLU 16 HN GLU 16 -0.533 -6.783 -13.165 111 HA GLU 16 HA GLU 16 0.019 -8.289 -15.602 112 1HB GLU 16 HB2 GLU 16 -2.224 -6.373 -15.159 113 2HB GLU 16 HB1 GLU 16 -1.419 -6.352 -16.718 114 1HG GLU 16 HG2 GLU 16 -1.844 -9.007 -16.385 115 2HG GLU 16 HG1 GLU 16 -3.239 -8.328 -15.548 116 H ALA 17 HN ALA 17 0.918 -6.892 -17.284 117 HA ALA 17 HA ALA 17 3.260 -5.864 -16.999 118 1HB ALA 17 HB1 ALA 17 1.135 -4.334 -18.491 119 2HB ALA 17 HB2 ALA 17 2.183 -5.604 -19.122 120 3HB ALA 17 HB3 ALA 17 2.869 -4.048 -18.653 121 H GLU 18 HN GLU 18 0.801 -3.265 -16.739 122 HA GLU 18 HA GLU 18 2.444 -2.133 -14.562 123 1HB GLU 18 HB2 GLU 18 0.838 -0.726 -16.694 124 2HB GLU 18 HB1 GLU 18 1.549 0.091 -15.309 125 1HG GLU 18 HG2 GLU 18 3.515 0.221 -16.311 126 2HG GLU 18 HG1 GLU 18 3.525 -1.511 -16.638 127 H ASP 19 HN ASP 19 1.015 -3.573 -13.208 128 HA ASP 19 HA ASP 19 -1.687 -2.506 -12.804 129 1HB ASP 19 HB2 ASP 19 -0.281 -5.045 -12.088 130 2HB ASP 19 HB1 ASP 19 -1.721 -4.568 -11.196 131 H ARG 20 HN ARG 20 -2.326 -2.975 -10.298 132 HA ARG 20 HA ARG 20 -0.311 -1.856 -8.514 133 1HB ARG 20 HB2 ARG 20 -2.977 -0.600 -9.098 134 2HB ARG 20 HB1 ARG 20 -2.161 -0.337 -7.564 135 1HG ARG 20 HG2 ARG 20 -0.337 0.111 -9.727 136 2HG ARG 20 HG1 ARG 20 -1.805 1.049 -9.956 137 1HD ARG 20 HD2 ARG 20 -1.407 1.544 -7.371 138 2HD ARG 20 HD1 ARG 20 0.260 1.262 -7.854 139 HE ARG 20 HE ARG 20 -0.430 2.969 -9.721 140 1HH1 ARG 20 1HH1 ARG 20 -1.212 3.096 -6.319 141 2HH1 ARG 20 2HH1 ARG 20 -1.351 4.821 -6.293 142 1HH2 ARG 20 1HH2 ARG 20 -0.614 5.227 -9.682 143 2HH2 ARG 20 2HH2 ARG 20 -1.011 6.030 -8.200 144 H VAL 21 HN VAL 21 -0.198 -3.305 -6.925 145 HA VAL 21 HA VAL 21 -2.561 -4.847 -6.152 146 HB VAL 21 HB VAL 21 -1.015 -6.229 -4.854 147 1HG1 VAL 21 1HG1 VAL 21 -1.380 -6.720 -7.237 148 2HG1 VAL 21 2HG1 VAL 21 0.222 -7.218 -6.690 149 3HG1 VAL 21 3HG1 VAL 21 0.027 -5.743 -7.641 150 1HG2 VAL 21 1HG2 VAL 21 0.866 -5.328 -4.089 151 2HG2 VAL 21 2HG2 VAL 21 0.703 -3.944 -5.170 152 3HG2 VAL 21 3HG2 VAL 21 1.510 -5.409 -5.729 153 H THR 22 HN THR 22 -2.779 -5.314 -3.740 154 HA THR 22 HA THR 22 -2.276 -2.859 -2.184 155 HB THR 22 HB THR 22 -4.601 -4.782 -1.929 156 HG1 THR 22 HG1 THR 22 -4.942 -3.428 -3.650 157 1HG2 THR 22 1HG2 THR 22 -4.836 -4.029 0.136 158 2HG2 THR 22 2HG2 THR 22 -5.181 -2.444 -0.554 159 3HG2 THR 22 3HG2 THR 22 -3.533 -2.857 -0.070 160 H ILE 23 HN ILE 23 -0.734 -3.235 -0.700 161 HA ILE 23 HA ILE 23 -0.692 -5.894 0.578 162 HB ILE 23 HB ILE 23 1.773 -5.644 0.776 163 1HG1 ILE 23 2HG1 ILE 23 1.331 -3.350 -1.140 164 2HG1 ILE 23 1HG1 ILE 23 1.936 -3.235 0.508 165 1HG2 ILE 23 1HG2 ILE 23 1.776 -5.661 -2.046 166 2HG2 ILE 23 2HG2 ILE 23 0.249 -6.367 -1.517 167 3HG2 ILE 23 3HG2 ILE 23 1.776 -7.038 -0.944 168 1HD1 ILE 23 1HD1 ILE 23 3.532 -3.229 -1.599 169 2HD1 ILE 23 2HD1 ILE 23 3.419 -4.970 -1.357 170 3HD1 ILE 23 3HD1 ILE 23 4.008 -3.939 -0.056 171 H ASP 24 HN ASP 24 0.225 -6.020 2.655 172 HA ASP 24 HA ASP 24 0.346 -3.517 4.215 173 1HB ASP 24 HB2 ASP 24 -0.646 -4.781 6.127 174 2HB ASP 24 HB1 ASP 24 -1.765 -4.635 4.779 175 H PHE 25 HN PHE 25 2.387 -3.359 5.126 176 HA PHE 25 HA PHE 25 3.744 -5.865 5.832 177 1HB PHE 25 HB2 PHE 25 5.757 -5.276 4.677 178 2HB PHE 25 HB1 PHE 25 4.418 -5.161 3.538 179 HD1 PHE 25 HD1 PHE 25 4.137 -3.249 2.267 180 HD2 PHE 25 HD2 PHE 25 6.514 -3.075 5.798 181 HE1 PHE 25 HE1 PHE 25 4.756 -0.931 1.747 182 HE2 PHE 25 HE2 PHE 25 7.122 -0.741 5.270 183 HZ PHE 25 HZ PHE 25 6.235 0.323 3.238 184 H THR 26 HN THR 26 5.863 -5.462 6.929 185 HA THR 26 HA THR 26 6.044 -2.988 8.442 186 HB THR 26 HB THR 26 5.687 -5.639 9.850 187 HG1 THR 26 HG1 THR 26 3.916 -3.430 9.694 188 1HG2 THR 26 1HG2 THR 26 5.371 -3.104 11.303 189 2HG2 THR 26 2HG2 THR 26 7.019 -3.528 10.837 190 3HG2 THR 26 3HG2 THR 26 6.066 -4.640 11.822 191 H GLY 27 HN GLY 27 8.139 -2.456 8.380 192 1HA GLY 27 HA2 GLY 27 10.163 -4.372 9.145 193 2HA GLY 27 HA1 GLY 27 10.239 -3.902 7.459 194 H SER 28 HN SER 28 12.387 -3.438 8.991 195 HA SER 28 HA SER 28 12.285 -0.566 9.657 196 1HB SER 28 HB2 SER 28 14.638 -1.307 10.712 197 2HB SER 28 HB1 SER 28 13.116 -1.485 11.590 198 HG SER 28 HG SER 28 13.168 -3.603 11.297 199 H VAL 29 HN VAL 29 14.619 0.409 9.445 200 HA VAL 29 HA VAL 29 15.606 -0.252 6.773 201 HB VAL 29 HB VAL 29 14.596 1.859 6.551 202 1HG1 VAL 29 1HG1 VAL 29 14.970 2.183 9.239 203 2HG1 VAL 29 2HG1 VAL 29 14.353 3.405 8.132 204 3HG1 VAL 29 3HG1 VAL 29 16.064 3.383 8.555 205 1HG2 VAL 29 1HG2 VAL 29 16.938 3.339 6.711 206 2HG2 VAL 29 2HG2 VAL 29 16.348 2.435 5.319 207 3HG2 VAL 29 3HG2 VAL 29 17.480 1.685 6.441 208 H ASP 30 HN ASP 30 16.908 1.723 9.460 209 HA ASP 30 HA ASP 30 19.462 0.364 9.063 210 1HB ASP 30 HB2 ASP 30 18.634 2.981 10.225 211 2HB ASP 30 HB1 ASP 30 20.092 2.225 10.868 212 H GLY 31 HN GLY 31 17.359 -1.102 10.230 213 1HA GLY 31 HA2 GLY 31 17.539 -2.760 11.912 214 2HA GLY 31 HA1 GLY 31 18.565 -1.673 12.839 215 H GLU 32 HN GLU 32 16.345 0.395 11.934 216 HA GLU 32 HA GLU 32 14.368 -0.338 13.979 217 1HB GLU 32 HB2 GLU 32 15.518 2.432 13.635 218 2HB GLU 32 HB1 GLU 32 14.368 1.910 14.858 219 1HG GLU 32 HG2 GLU 32 15.980 1.185 16.202 220 2HG GLU 32 HG1 GLU 32 16.793 0.325 14.895 221 H GLU 33 HN GLU 33 12.345 -0.157 13.313 222 HA GLU 33 HA GLU 33 11.650 0.559 10.702 223 1HB GLU 33 HB2 GLU 33 9.272 0.483 11.667 224 2HB GLU 33 HB1 GLU 33 10.227 -0.990 11.728 225 1HG GLU 33 HG2 GLU 33 10.524 0.678 14.099 226 2HG GLU 33 HG1 GLU 33 8.870 0.134 13.819 227 H PHE 34 HN PHE 34 11.522 2.507 9.844 228 HA PHE 34 HA PHE 34 11.372 4.854 11.470 229 1HB PHE 34 HB2 PHE 34 11.841 6.040 9.413 230 2HB PHE 34 HB1 PHE 34 12.939 4.682 9.586 231 HD1 PHE 34 HD1 PHE 34 12.058 2.446 8.348 232 HD2 PHE 34 HD2 PHE 34 10.946 6.432 7.346 233 HE1 PHE 34 HE1 PHE 34 11.475 1.711 6.078 234 HE2 PHE 34 HE2 PHE 34 10.356 5.698 5.077 235 HZ PHE 34 HZ PHE 34 10.621 3.337 4.439 236 H GLU 35 HN GLU 35 10.003 6.010 8.934 237 HA GLU 35 HA GLU 35 7.430 6.311 10.105 238 1HB GLU 35 HB2 GLU 35 8.657 7.173 7.494 239 2HB GLU 35 HB1 GLU 35 6.953 7.440 7.837 240 1HG GLU 35 HG2 GLU 35 7.646 9.392 8.662 241 2HG GLU 35 HG1 GLU 35 8.107 8.446 10.077 242 H GLY 36 HN GLY 36 8.521 4.876 7.023 243 1HA GLY 36 HA2 GLY 36 5.971 3.559 6.641 244 2HA GLY 36 HA1 GLY 36 7.353 3.486 5.563 245 H GLY 37 HN GLY 37 8.000 2.795 8.868 246 1HA GLY 37 HA2 GLY 37 8.914 0.200 8.280 247 2HA GLY 37 HA1 GLY 37 8.680 0.862 9.889 248 H LYS 38 HN LYS 38 5.758 1.285 8.621 249 HA LYS 38 HA LYS 38 4.786 -1.434 8.753 250 1HB LYS 38 HB2 LYS 38 3.177 -0.971 10.551 251 2HB LYS 38 HB1 LYS 38 4.836 -0.828 11.112 252 1HG LYS 38 HG2 LYS 38 3.948 1.726 10.206 253 2HG LYS 38 HG1 LYS 38 2.751 1.056 11.316 254 1HD LYS 38 HD2 LYS 38 4.132 2.020 12.846 255 2HD LYS 38 HD1 LYS 38 4.952 0.464 12.696 256 1HE LYS 38 HE2 LYS 38 6.390 1.508 10.923 257 2HE LYS 38 HE1 LYS 38 5.672 3.060 11.349 258 1HZ LYS 38 HZ1 LYS 38 6.494 2.749 13.619 259 2HZ LYS 38 HZ2 LYS 38 7.756 2.759 12.493 260 3HZ LYS 38 HZ3 LYS 38 7.232 1.297 13.159 261 H ALA 39 HN ALA 39 3.357 -1.635 7.191 262 HA ALA 39 HA ALA 39 1.565 0.610 6.571 263 1HB ALA 39 HB1 ALA 39 1.898 -0.501 4.116 264 2HB ALA 39 HB2 ALA 39 3.519 -0.695 4.792 265 3HB ALA 39 HB3 ALA 39 2.788 0.908 4.698 266 H SER 40 HN SER 40 -0.488 0.029 5.854 267 HA SER 40 HA SER 40 -1.124 -2.830 6.154 268 1HB SER 40 HB2 SER 40 -2.071 -1.332 7.922 269 2HB SER 40 HB1 SER 40 -2.980 -0.495 6.663 270 HG SER 40 HG SER 40 -3.165 -3.291 7.040 271 H ASP 41 HN ASP 41 -2.445 0.115 4.583 272 HA ASP 41 HA ASP 41 -3.313 -1.549 2.357 273 1HB ASP 41 HB2 ASP 41 -4.679 0.520 1.770 274 2HB ASP 41 HB1 ASP 41 -5.181 -0.343 3.220 275 H PHE 42 HN PHE 42 -0.928 -1.519 1.833 276 HA PHE 42 HA PHE 42 -0.016 1.038 0.748 277 1HB PHE 42 HB2 PHE 42 1.552 -0.321 2.130 278 2HB PHE 42 HB1 PHE 42 1.472 -1.591 0.918 279 HD1 PHE 42 HD1 PHE 42 3.678 -1.681 0.117 280 HD2 PHE 42 HD2 PHE 42 1.680 2.071 0.373 281 HE1 PHE 42 HE1 PHE 42 5.524 -0.618 -1.103 282 HE2 PHE 42 HE2 PHE 42 3.532 3.140 -0.847 283 HZ PHE 42 HZ PHE 42 5.457 1.794 -1.585 284 H VAL 43 HN VAL 43 -0.901 1.439 -1.186 285 HA VAL 43 HA VAL 43 -1.474 -0.661 -3.056 286 HB VAL 43 HB VAL 43 -2.913 1.338 -2.772 287 1HG1 VAL 43 1HG1 VAL 43 -2.293 3.479 -3.309 288 2HG1 VAL 43 2HG1 VAL 43 -0.999 2.950 -4.385 289 3HG1 VAL 43 3HG1 VAL 43 -0.788 2.850 -2.637 290 1HG2 VAL 43 1HG2 VAL 43 -2.233 -0.007 -5.103 291 2HG2 VAL 43 2HG2 VAL 43 -2.231 1.695 -5.562 292 3HG2 VAL 43 3HG2 VAL 43 -3.669 0.981 -4.837 293 H LEU 44 HN LEU 44 0.353 -1.586 -3.824 294 HA LEU 44 HA LEU 44 2.562 0.061 -4.736 295 1HB LEU 44 HB2 LEU 44 2.336 -2.507 -3.678 296 2HB LEU 44 HB1 LEU 44 2.761 -2.766 -5.358 297 HG LEU 44 HG LEU 44 4.342 -1.383 -3.218 298 1HD1 LEU 44 1HD1 LEU 44 4.479 -3.849 -4.751 299 2HD1 LEU 44 2HD1 LEU 44 5.268 -3.409 -3.238 300 3HD1 LEU 44 3HD1 LEU 44 5.980 -2.933 -4.776 301 1HD2 LEU 44 1HD2 LEU 44 4.392 -0.882 -6.148 302 2HD2 LEU 44 2HD2 LEU 44 5.930 -0.973 -5.290 303 3HD2 LEU 44 3HD2 LEU 44 4.720 0.215 -4.807 304 H ALA 45 HN ALA 45 3.107 0.431 -6.807 305 HA ALA 45 HA ALA 45 1.199 -0.428 -8.864 306 1HB ALA 45 HB1 ALA 45 2.826 1.345 -10.124 307 2HB ALA 45 HB2 ALA 45 2.863 1.957 -8.472 308 3HB ALA 45 HB3 ALA 45 1.327 1.771 -9.312 309 H MET 46 HN MET 46 1.840 -2.355 -9.724 310 HA MET 46 HA MET 46 4.560 -3.142 -9.941 311 1HB MET 46 HB2 MET 46 1.960 -4.289 -10.545 312 2HB MET 46 HB1 MET 46 3.143 -4.672 -11.787 313 1HG MET 46 HG2 MET 46 3.674 -5.089 -8.865 314 2HG MET 46 HG1 MET 46 2.923 -6.312 -9.887 315 1HE MET 46 HE1 MET 46 3.787 -6.543 -12.241 316 2HE MET 46 HE2 MET 46 5.252 -7.524 -12.253 317 3HE MET 46 HE3 MET 46 5.311 -5.847 -12.793 318 H GLY 47 HN GLY 47 5.412 -1.244 -10.968 319 1HA GLY 47 HA2 GLY 47 6.600 -0.828 -13.021 320 2HA GLY 47 HA1 GLY 47 5.210 -1.442 -13.900 321 H GLN 48 HN GLN 48 5.974 1.159 -11.579 322 HA GLN 48 HA GLN 48 4.342 2.973 -13.237 323 1HB GLN 48 HB2 GLN 48 4.280 2.466 -10.398 324 2HB GLN 48 HB1 GLN 48 4.699 4.144 -10.695 325 1HG GLN 48 HG2 GLN 48 2.401 2.975 -12.175 326 2HG GLN 48 HG1 GLN 48 2.200 3.380 -10.472 327 1HE2 GLN 48 1HE2 GLN 48 3.541 4.791 -13.440 328 2HE2 GLN 48 2HE2 GLN 48 2.930 6.382 -13.162 329 H GLY 49 HN GLY 49 6.772 3.369 -10.670 330 1HA GLY 49 HA2 GLY 49 8.115 5.380 -12.335 331 2HA GLY 49 HA1 GLY 49 8.326 5.172 -10.600 332 H ARG 50 HN ARG 50 9.021 2.677 -10.200 333 HA ARG 50 HA ARG 50 10.721 1.422 -12.017 334 1HB ARG 50 HB2 ARG 50 12.921 2.047 -11.272 335 2HB ARG 50 HB1 ARG 50 12.061 3.501 -11.748 336 1HG ARG 50 HG2 ARG 50 12.473 4.405 -9.775 337 2HG ARG 50 HG1 ARG 50 11.611 3.089 -8.976 338 1HD ARG 50 HD2 ARG 50 13.957 3.386 -8.199 339 2HD ARG 50 HD1 ARG 50 13.613 1.780 -8.834 340 HE ARG 50 HE ARG 50 15.227 3.854 -10.131 341 1HH1 ARG 50 1HH1 ARG 50 14.037 0.569 -10.078 342 2HH1 ARG 50 2HH1 ARG 50 15.179 0.011 -11.253 343 1HH2 ARG 50 1HH2 ARG 50 16.717 3.116 -11.680 344 2HH2 ARG 50 2HH2 ARG 50 16.694 1.452 -12.164 345 H MET 51 HN MET 51 9.188 -0.024 -10.790 346 HA MET 51 HA MET 51 9.346 -0.679 -8.134 347 1HB MET 51 HB2 MET 51 7.928 -1.680 -10.125 348 2HB MET 51 HB1 MET 51 9.179 -2.916 -10.103 349 1HG MET 51 HG2 MET 51 7.869 -3.916 -8.602 350 2HG MET 51 HG1 MET 51 8.561 -2.755 -7.471 351 1HE MET 51 HE1 MET 51 5.807 0.122 -7.906 352 2HE MET 51 HE2 MET 51 7.441 -0.148 -8.508 353 3HE MET 51 HE3 MET 51 7.093 -0.329 -6.790 354 H ILE 52 HN ILE 52 11.056 -1.093 -6.924 355 HA ILE 52 HA ILE 52 13.540 -1.984 -7.970 356 HB ILE 52 HB ILE 52 13.962 -2.455 -5.397 357 1HG1 ILE 52 2HG1 ILE 52 11.739 -0.413 -5.253 358 2HG1 ILE 52 1HG1 ILE 52 11.494 -2.119 -4.890 359 1HG2 ILE 52 1HG2 ILE 52 15.282 -0.801 -6.183 360 2HG2 ILE 52 2HG2 ILE 52 14.161 0.215 -5.276 361 3HG2 ILE 52 3HG2 ILE 52 13.957 0.012 -7.016 362 1HD1 ILE 52 1HD1 ILE 52 13.140 -1.966 -3.093 363 2HD1 ILE 52 2HD1 ILE 52 11.817 -0.820 -2.868 364 3HD1 ILE 52 3HD1 ILE 52 13.380 -0.258 -3.461 365 HA PRO 53 HA PRO 53 13.405 -6.371 -8.031 366 1HB PRO 53 HB2 PRO 53 15.579 -7.001 -6.398 367 2HB PRO 53 HB1 PRO 53 15.646 -6.674 -8.131 368 1HG PRO 53 HG2 PRO 53 16.224 -4.862 -5.835 369 2HG PRO 53 HG1 PRO 53 17.027 -4.971 -7.411 370 1HD PRO 53 HD2 PRO 53 15.312 -2.992 -6.861 371 2HD PRO 53 HD1 PRO 53 15.377 -3.730 -8.476 372 H GLY 54 HN GLY 54 13.384 -4.717 -4.982 373 1HA GLY 54 HA2 GLY 54 12.869 -7.028 -3.363 374 2HA GLY 54 HA1 GLY 54 12.722 -5.350 -2.873 375 H PHE 55 HN PHE 55 10.788 -4.265 -4.257 376 HA PHE 55 HA PHE 55 8.460 -5.488 -3.242 377 1HB PHE 55 HB2 PHE 55 8.992 -3.102 -4.990 378 2HB PHE 55 HB1 PHE 55 7.352 -3.682 -4.776 379 HD1 PHE 55 HD1 PHE 55 6.796 -4.135 -2.132 380 HD2 PHE 55 HD2 PHE 55 9.609 -1.345 -3.685 381 HE1 PHE 55 HE1 PHE 55 6.611 -2.823 -0.083 382 HE2 PHE 55 HE2 PHE 55 9.422 -0.014 -1.624 383 HZ PHE 55 HZ PHE 55 7.917 -0.752 0.179 384 H GLU 56 HN GLU 56 9.810 -5.135 -6.504 385 HA GLU 56 HA GLU 56 7.684 -6.374 -7.862 386 1HB GLU 56 HB2 GLU 56 9.084 -6.457 -9.754 387 2HB GLU 56 HB1 GLU 56 9.599 -5.030 -8.870 388 1HG GLU 56 HG2 GLU 56 11.576 -6.035 -8.163 389 2HG GLU 56 HG1 GLU 56 10.997 -7.657 -8.526 390 H ASP 57 HN ASP 57 9.882 -7.659 -5.660 391 HA ASP 57 HA ASP 57 10.012 -10.309 -6.771 392 1HB ASP 57 HB2 ASP 57 11.387 -8.880 -4.744 393 2HB ASP 57 HB1 ASP 57 10.632 -10.267 -3.969 394 H GLY 58 HN GLY 58 8.925 -9.401 -3.488 395 1HA GLY 58 HA2 GLY 58 7.153 -11.617 -3.351 396 2HA GLY 58 HA1 GLY 58 7.252 -10.293 -2.201 397 H ILE 59 HN ILE 59 6.584 -8.144 -3.670 398 HA ILE 59 HA ILE 59 3.763 -8.460 -3.979 399 HB ILE 59 HB ILE 59 5.441 -5.990 -4.509 400 1HG1 ILE 59 2HG1 ILE 59 4.772 -5.533 -2.037 401 2HG1 ILE 59 1HG1 ILE 59 4.637 -7.271 -1.911 402 1HG2 ILE 59 1HG2 ILE 59 3.230 -5.048 -3.413 403 2HG2 ILE 59 2HG2 ILE 59 2.562 -6.572 -3.995 404 3HG2 ILE 59 3HG2 ILE 59 3.303 -5.445 -5.129 405 1HD1 ILE 59 1HD1 ILE 59 6.891 -5.764 -1.514 406 2HD1 ILE 59 2HD1 ILE 59 7.108 -6.396 -3.136 407 3HD1 ILE 59 3HD1 ILE 59 6.845 -7.501 -1.796 408 H LYS 60 HN LYS 60 5.204 -9.886 -5.765 409 HA LYS 60 HA LYS 60 5.500 -8.839 -8.374 410 1HB LYS 60 HB2 LYS 60 4.879 -11.538 -7.275 411 2HB LYS 60 HB1 LYS 60 4.412 -11.262 -8.949 412 1HG LYS 60 HG2 LYS 60 7.115 -10.369 -8.374 413 2HG LYS 60 HG1 LYS 60 6.878 -12.088 -8.063 414 1HD LYS 60 HD2 LYS 60 5.886 -10.864 -10.608 415 2HD LYS 60 HD1 LYS 60 7.588 -11.298 -10.437 416 1HE LYS 60 HE2 LYS 60 5.833 -13.416 -9.524 417 2HE LYS 60 HE1 LYS 60 5.507 -12.973 -11.197 418 1HZ LYS 60 HZ1 LYS 60 7.325 -14.036 -11.831 419 2HZ LYS 60 HZ2 LYS 60 7.563 -14.566 -10.244 420 3HZ LYS 60 HZ3 LYS 60 8.295 -13.137 -10.774 421 H GLY 61 HN GLY 61 2.780 -10.357 -6.805 422 1HA GLY 61 HA2 GLY 61 0.571 -9.308 -6.728 423 2HA GLY 61 HA1 GLY 61 0.872 -8.743 -8.370 424 H HIS 62 HN HIS 62 1.573 -11.826 -6.891 425 HA HIS 62 HA HIS 62 -0.278 -13.117 -8.804 426 1HB HIS 62 HB2 HIS 62 1.359 -15.043 -8.832 427 2HB HIS 62 HB1 HIS 62 1.893 -13.573 -9.634 428 HD2 HIS 62 HD2 HIS 62 2.406 -13.235 -5.881 429 HE1 HIS 62 HE1 HIS 62 6.073 -14.654 -7.472 430 HE2 HIS 62 HE2 HIS 62 4.919 -13.677 -5.459 431 H LYS 63 HN LYS 63 -0.150 -12.465 -5.706 432 HA LYS 63 HA LYS 63 -1.512 -14.936 -4.991 433 1HB LYS 63 HB2 LYS 63 0.746 -13.829 -3.315 434 2HB LYS 63 HB1 LYS 63 -0.250 -15.227 -2.928 435 1HG LYS 63 HG2 LYS 63 0.624 -16.396 -4.891 436 2HG LYS 63 HG1 LYS 63 1.625 -14.997 -5.273 437 1HD LYS 63 HD2 LYS 63 3.178 -15.569 -3.768 438 2HD LYS 63 HD1 LYS 63 1.964 -15.898 -2.533 439 1HE LYS 63 HE2 LYS 63 3.159 -17.925 -2.976 440 2HE LYS 63 HE1 LYS 63 1.525 -18.085 -3.618 441 1HZ LYS 63 HZ1 LYS 63 2.315 -18.383 -5.655 442 2HZ LYS 63 HZ2 LYS 63 3.856 -18.531 -4.976 443 3HZ LYS 63 HZ3 LYS 63 3.330 -17.033 -5.561 444 H ALA 64 HN ALA 64 -3.357 -13.606 -5.043 445 HA ALA 64 HA ALA 64 -3.715 -11.234 -3.599 446 1HB ALA 64 HB1 ALA 64 -5.252 -11.828 -5.332 447 2HB ALA 64 HB2 ALA 64 -6.146 -11.740 -3.813 448 3HB ALA 64 HB3 ALA 64 -5.708 -13.308 -4.490 449 H GLY 65 HN GLY 65 -3.071 -11.259 -1.471 450 1HA GLY 65 HA2 GLY 65 -3.866 -11.426 0.772 451 2HA GLY 65 HA1 GLY 65 -4.740 -12.882 0.321 452 H GLU 66 HN GLU 66 -1.355 -12.138 -0.345 453 HA GLU 66 HA GLU 66 -0.596 -14.591 1.059 454 1HB GLU 66 HB2 GLU 66 0.094 -14.069 -1.347 455 2HB GLU 66 HB1 GLU 66 1.187 -12.878 -0.658 456 1HG GLU 66 HG2 GLU 66 2.344 -14.953 -1.126 457 2HG GLU 66 HG1 GLU 66 2.317 -14.626 0.601 458 H GLU 67 HN GLU 67 1.522 -14.570 2.197 459 HA GLU 67 HA GLU 67 2.125 -12.022 3.515 460 1HB GLU 67 HB2 GLU 67 0.677 -13.338 5.028 461 2HB GLU 67 HB1 GLU 67 1.821 -14.672 4.948 462 1HG GLU 67 HG2 GLU 67 3.488 -13.420 6.079 463 2HG GLU 67 HG1 GLU 67 2.551 -11.935 5.944 464 H PHE 68 HN PHE 68 4.082 -11.659 2.627 465 HA PHE 68 HA PHE 68 6.165 -13.711 3.030 466 1HB PHE 68 HB2 PHE 68 7.113 -12.989 0.800 467 2HB PHE 68 HB1 PHE 68 5.599 -13.894 0.718 468 HD1 PHE 68 HD1 PHE 68 3.631 -12.923 -0.119 469 HD2 PHE 68 HD2 PHE 68 7.099 -10.547 0.511 470 HE1 PHE 68 HE1 PHE 68 2.573 -11.075 -1.332 471 HE2 PHE 68 HE2 PHE 68 6.053 -8.678 -0.711 472 HZ PHE 68 HZ PHE 68 3.776 -8.948 -1.640 473 H THR 69 HN THR 69 8.403 -12.755 2.726 474 HA THR 69 HA THR 69 8.474 -9.961 3.625 475 HB THR 69 HB THR 69 10.243 -12.193 4.636 476 HG1 THR 69 HG1 THR 69 8.553 -12.559 5.825 477 1HG2 THR 69 1HG2 THR 69 11.503 -10.239 4.860 478 2HG2 THR 69 2HG2 THR 69 10.757 -10.490 6.439 479 3HG2 THR 69 3HG2 THR 69 10.099 -9.286 5.335 480 H ILE 70 HN ILE 70 9.870 -8.636 2.543 481 HA ILE 70 HA ILE 70 12.083 -9.910 1.106 482 HB ILE 70 HB ILE 70 11.420 -7.963 -0.691 483 1HG1 ILE 70 2HG1 ILE 70 9.123 -8.300 -1.354 484 2HG1 ILE 70 1HG1 ILE 70 8.854 -9.410 -0.014 485 1HG2 ILE 70 1HG2 ILE 70 12.154 -10.443 -0.873 486 2HG2 ILE 70 2HG2 ILE 70 11.294 -9.676 -2.208 487 3HG2 ILE 70 3HG2 ILE 70 10.430 -10.741 -1.100 488 1HD1 ILE 70 1HD1 ILE 70 7.890 -7.481 0.754 489 2HD1 ILE 70 2HD1 ILE 70 9.088 -6.443 -0.020 490 3HD1 ILE 70 3HD1 ILE 70 9.510 -7.338 1.437 491 H ASP 71 HN ASP 71 13.471 -8.202 0.057 492 HA ASP 71 HA ASP 71 14.063 -6.189 2.094 493 1HB ASP 71 HB2 ASP 71 16.224 -5.962 0.842 494 2HB ASP 71 HB1 ASP 71 15.947 -7.583 1.473 495 H VAL 72 HN VAL 72 14.382 -3.977 1.487 496 HA VAL 72 HA VAL 72 13.610 -3.239 -1.224 497 HB VAL 72 HB VAL 72 12.095 -1.409 -0.205 498 1HG1 VAL 72 1HG1 VAL 72 11.065 -4.244 -0.179 499 2HG1 VAL 72 2HG1 VAL 72 11.396 -3.324 -1.648 500 3HG1 VAL 72 3HG1 VAL 72 10.156 -2.769 -0.520 501 1HG2 VAL 72 1HG2 VAL 72 11.256 -1.643 1.897 502 2HG2 VAL 72 2HG2 VAL 72 12.858 -2.329 2.155 503 3HG2 VAL 72 3HG2 VAL 72 11.471 -3.392 1.914 504 H THR 73 HN THR 73 14.746 -1.519 -1.959 505 HA THR 73 HA THR 73 15.798 0.438 -0.117 506 HB THR 73 HB THR 73 17.508 -1.503 -1.656 507 HG1 THR 73 HG1 THR 73 17.115 -1.709 0.639 508 1HG2 THR 73 1HG2 THR 73 19.385 0.202 -0.874 509 2HG2 THR 73 2HG2 THR 73 18.093 1.358 -1.203 510 3HG2 THR 73 3HG2 THR 73 18.646 0.269 -2.474 511 H PHE 74 HN PHE 74 15.472 2.367 -1.067 512 HA PHE 74 HA PHE 74 14.793 2.427 -3.869 513 1HB PHE 74 HB2 PHE 74 14.718 4.489 -1.685 514 2HB PHE 74 HB1 PHE 74 14.311 4.856 -3.360 515 HD1 PHE 74 HD1 PHE 74 13.509 2.125 -0.924 516 HD2 PHE 74 HD2 PHE 74 12.084 4.931 -3.777 517 HE1 PHE 74 HE1 PHE 74 11.214 1.301 -0.581 518 HE2 PHE 74 HE2 PHE 74 9.783 4.125 -3.440 519 HZ PHE 74 HZ PHE 74 9.345 2.311 -1.836 520 HA PRO 75 HA PRO 75 18.901 3.513 -5.206 521 1HB PRO 75 HB2 PRO 75 18.220 4.385 -7.706 522 2HB PRO 75 HB1 PRO 75 18.392 2.682 -7.269 523 1HG PRO 75 HG2 PRO 75 15.915 4.339 -7.510 524 2HG PRO 75 HG1 PRO 75 16.202 2.667 -8.030 525 1HD PRO 75 HD2 PRO 75 14.856 3.256 -5.773 526 2HD PRO 75 HD1 PRO 75 15.895 1.821 -5.905 527 H GLU 76 HN GLU 76 19.880 5.405 -6.537 528 HA GLU 76 HA GLU 76 19.310 7.809 -5.086 529 1HB GLU 76 HB2 GLU 76 21.493 6.747 -6.611 530 2HB GLU 76 HB1 GLU 76 21.119 8.365 -7.189 531 1HG GLU 76 HG2 GLU 76 22.251 9.198 -5.487 532 2HG GLU 76 HG1 GLU 76 21.060 8.502 -4.388 533 H GLU 77 HN GLU 77 18.017 6.479 -7.883 534 HA GLU 77 HA GLU 77 17.526 9.044 -9.174 535 1HB GLU 77 HB2 GLU 77 16.299 7.558 -10.859 536 2HB GLU 77 HB1 GLU 77 18.046 7.392 -10.752 537 1HG GLU 77 HG2 GLU 77 16.614 5.589 -8.972 538 2HG GLU 77 HG1 GLU 77 16.227 5.352 -10.676 539 H TYR 78 HN TYR 78 15.867 6.626 -7.273 540 HA TYR 78 HA TYR 78 13.217 7.511 -7.775 541 1HB TYR 78 HB2 TYR 78 14.076 5.315 -6.636 542 2HB TYR 78 HB1 TYR 78 14.042 6.276 -5.161 543 HD1 TYR 78 HD1 TYR 78 12.151 4.247 -7.371 544 HD2 TYR 78 HD2 TYR 78 11.795 7.444 -4.580 545 HE1 TYR 78 HE1 TYR 78 9.750 3.771 -7.137 546 HE2 TYR 78 HE2 TYR 78 9.394 6.976 -4.345 547 HH TYR 78 HH TYR 78 7.758 4.641 -6.383 548 H HIS 79 HN HIS 79 15.085 7.828 -4.783 549 HA HIS 79 HA HIS 79 14.821 9.297 -3.043 550 1HB HIS 79 HB2 HIS 79 15.693 10.840 -5.450 551 2HB HIS 79 HB1 HIS 79 15.510 11.649 -3.895 552 HD2 HIS 79 HD2 HIS 79 16.844 8.119 -3.431 553 HE1 HIS 79 HE1 HIS 79 20.214 10.704 -3.431 554 HE2 HIS 79 HE2 HIS 79 19.370 8.383 -2.928 555 H ALA 80 HN ALA 80 12.440 8.949 -2.850 556 HA ALA 80 HA ALA 80 10.741 11.046 -3.901 557 1HB ALA 80 HB1 ALA 80 9.679 9.241 -1.827 558 2HB ALA 80 HB2 ALA 80 10.230 8.470 -3.314 559 3HB ALA 80 HB3 ALA 80 8.990 9.722 -3.376 560 H GLU 81 HN GLU 81 9.659 12.589 -2.659 561 HA GLU 81 HA GLU 81 11.092 13.917 -0.729 562 1HB GLU 81 HB2 GLU 81 8.086 13.968 -0.970 563 2HB GLU 81 HB1 GLU 81 9.115 15.230 -0.306 564 1HG GLU 81 HG2 GLU 81 8.898 16.135 -2.338 565 2HG GLU 81 HG1 GLU 81 10.166 14.993 -2.780 566 H ASN 82 HN ASN 82 8.905 11.217 -0.233 567 HA ASN 82 HA ASN 82 8.862 11.719 2.637 568 1HB ASN 82 HB2 ASN 82 7.292 9.758 2.689 569 2HB ASN 82 HB1 ASN 82 6.745 11.135 1.739 570 1HD2 ASN 82 1HD2 ASN 82 8.405 8.036 1.461 571 2HD2 ASN 82 2HD2 ASN 82 7.790 7.645 -0.104 572 H LEU 83 HN LEU 83 10.198 9.265 0.427 573 HA LEU 83 HA LEU 83 11.699 8.244 2.738 574 1HB LEU 83 HB2 LEU 83 11.226 6.019 2.323 575 2HB LEU 83 HB1 LEU 83 9.687 6.822 2.124 576 HG LEU 83 HG LEU 83 9.590 5.441 0.328 577 1HD1 LEU 83 1HD1 LEU 83 11.376 7.287 -1.175 578 2HD1 LEU 83 2HD1 LEU 83 9.882 7.906 -0.482 579 3HD1 LEU 83 3HD1 LEU 83 9.828 6.580 -1.636 580 1HD2 LEU 83 1HD2 LEU 83 12.494 5.616 -0.316 581 2HD2 LEU 83 2HD2 LEU 83 11.337 4.351 -0.678 582 3HD2 LEU 83 3HD2 LEU 83 11.907 4.561 0.966 583 H LYS 84 HN LYS 84 12.270 9.872 0.197 584 HA LYS 84 HA LYS 84 13.734 8.806 -1.722 585 1HB LYS 84 HB2 LYS 84 15.410 10.674 -1.476 586 2HB LYS 84 HB1 LYS 84 13.724 11.159 -1.556 587 1HG LYS 84 HG2 LYS 84 13.875 11.073 1.047 588 2HG LYS 84 HG1 LYS 84 15.609 11.217 0.748 589 1HD LYS 84 HD2 LYS 84 15.377 13.407 0.439 590 2HD LYS 84 HD1 LYS 84 14.269 13.105 -0.903 591 1HE LYS 84 HE2 LYS 84 13.124 14.482 0.663 592 2HE LYS 84 HE1 LYS 84 12.435 12.865 0.781 593 1HZ LYS 84 HZ1 LYS 84 14.582 13.099 2.589 594 2HZ LYS 84 HZ2 LYS 84 12.948 12.813 2.918 595 3HZ LYS 84 HZ3 LYS 84 13.526 14.398 2.824 596 H GLY 85 HN GLY 85 15.205 7.310 -1.974 597 1HA GLY 85 HA2 GLY 85 16.925 5.852 -1.580 598 2HA GLY 85 HA1 GLY 85 17.704 7.217 -0.803 599 H LYS 86 HN LYS 86 14.943 5.103 0.044 600 HA LYS 86 HA LYS 86 16.098 4.878 2.727 601 1HB LYS 86 HB2 LYS 86 13.572 5.468 2.082 602 2HB LYS 86 HB1 LYS 86 13.432 3.718 2.139 603 1HG LYS 86 HG2 LYS 86 12.837 4.562 4.275 604 2HG LYS 86 HG1 LYS 86 14.417 3.794 4.430 605 1HD LYS 86 HD2 LYS 86 14.486 5.850 5.644 606 2HD LYS 86 HD1 LYS 86 15.451 6.062 4.184 607 1HE LYS 86 HE2 LYS 86 14.237 7.859 3.703 608 2HE LYS 86 HE1 LYS 86 12.831 6.814 3.505 609 1HZ LYS 86 HZ1 LYS 86 12.913 7.078 6.160 610 2HZ LYS 86 HZ2 LYS 86 12.011 8.088 5.146 611 3HZ LYS 86 HZ3 LYS 86 13.534 8.581 5.693 612 H ALA 87 HN ALA 87 17.681 3.318 2.434 613 HA ALA 87 HA ALA 87 17.072 0.781 1.204 614 1HB ALA 87 HB1 ALA 87 19.294 0.683 1.045 615 2HB ALA 87 HB2 ALA 87 19.428 0.626 2.803 616 3HB ALA 87 HB3 ALA 87 19.424 2.179 1.967 617 H ALA 88 HN ALA 88 15.487 -0.314 2.311 618 HA ALA 88 HA ALA 88 16.071 -0.942 5.122 619 1HB ALA 88 HB1 ALA 88 14.100 0.783 4.349 620 2HB ALA 88 HB2 ALA 88 14.150 -0.082 5.884 621 3HB ALA 88 HB3 ALA 88 13.228 -0.737 4.532 622 H LYS 89 HN LYS 89 14.124 -2.455 5.836 623 HA LYS 89 HA LYS 89 13.966 -4.738 3.981 624 1HB LYS 89 HB2 LYS 89 15.256 -4.622 6.558 625 2HB LYS 89 HB1 LYS 89 13.881 -5.716 6.646 626 1HG LYS 89 HG2 LYS 89 15.447 -7.196 5.967 627 2HG LYS 89 HG1 LYS 89 14.947 -6.608 4.380 628 1HD LYS 89 HD2 LYS 89 17.342 -6.615 4.450 629 2HD LYS 89 HD1 LYS 89 16.797 -4.937 4.498 630 1HE LYS 89 HE2 LYS 89 18.088 -4.689 6.295 631 2HE LYS 89 HE1 LYS 89 16.917 -5.681 7.163 632 1HZ LYS 89 HZ1 LYS 89 18.214 -7.566 6.923 633 2HZ LYS 89 HZ2 LYS 89 19.370 -6.365 7.203 634 3HZ LYS 89 HZ3 LYS 89 19.106 -6.933 5.632 635 H PHE 90 HN PHE 90 11.922 -5.736 3.945 636 HA PHE 90 HA PHE 90 9.921 -4.749 5.858 637 1HB PHE 90 HB2 PHE 90 9.507 -4.849 2.865 638 2HB PHE 90 HB1 PHE 90 8.232 -4.587 4.046 639 HD1 PHE 90 HD1 PHE 90 8.316 -2.803 1.976 640 HD2 PHE 90 HD2 PHE 90 10.726 -2.787 5.459 641 HE1 PHE 90 HE1 PHE 90 8.583 -0.355 1.777 642 HE2 PHE 90 HE2 PHE 90 11.013 -0.350 5.276 643 HZ PHE 90 HZ PHE 90 9.935 0.871 3.427 644 H ALA 91 HN ALA 91 8.064 -6.126 6.114 645 HA ALA 91 HA ALA 91 8.278 -8.774 4.888 646 1HB ALA 91 HB1 ALA 91 8.738 -8.436 7.502 647 2HB ALA 91 HB2 ALA 91 7.842 -9.829 6.894 648 3HB ALA 91 HB3 ALA 91 6.976 -8.439 7.548 649 H ILE 92 HN ILE 92 6.779 -8.552 3.363 650 HA ILE 92 HA ILE 92 4.391 -6.992 3.924 651 HB ILE 92 HB ILE 92 5.412 -8.026 1.291 652 1HG1 ILE 92 2HG1 ILE 92 5.977 -5.472 2.783 653 2HG1 ILE 92 1HG1 ILE 92 7.124 -6.633 2.164 654 1HG2 ILE 92 1HG2 ILE 92 3.288 -6.055 2.043 655 2HG2 ILE 92 2HG2 ILE 92 3.164 -7.486 1.016 656 3HG2 ILE 92 3HG2 ILE 92 4.037 -6.063 0.446 657 1HD1 ILE 92 1HD1 ILE 92 7.341 -5.357 0.378 658 2HD1 ILE 92 2HD1 ILE 92 6.034 -4.308 0.927 659 3HD1 ILE 92 3HD1 ILE 92 5.669 -5.733 -0.043 660 H ASN 93 HN ASN 93 2.387 -7.522 2.939 661 HA ASN 93 HA ASN 93 1.806 -10.370 2.606 662 1HB ASN 93 HB2 ASN 93 0.156 -8.484 4.303 663 2HB ASN 93 HB1 ASN 93 -0.248 -10.155 3.943 664 1HD2 ASN 93 1HD2 ASN 93 -0.319 -10.627 6.140 665 2HD2 ASN 93 2HD2 ASN 93 1.119 -10.812 7.079 666 H LEU 94 HN LEU 94 1.242 -10.378 0.480 667 HA LEU 94 HA LEU 94 0.052 -8.190 -0.856 668 1HB LEU 94 HB2 LEU 94 1.394 -10.117 -1.847 669 2HB LEU 94 HB1 LEU 94 -0.095 -11.040 -1.789 670 HG LEU 94 HG LEU 94 -1.159 -9.313 -3.232 671 1HD1 LEU 94 1HD1 LEU 94 0.924 -8.050 -4.464 672 2HD1 LEU 94 2HD1 LEU 94 1.425 -8.028 -2.773 673 3HD1 LEU 94 3HD1 LEU 94 -0.125 -7.330 -3.243 674 1HD2 LEU 94 1HD2 LEU 94 -0.501 -10.390 -5.107 675 2HD2 LEU 94 2HD2 LEU 94 0.315 -11.440 -3.948 676 3HD2 LEU 94 3HD2 LEU 94 1.216 -10.163 -4.767 677 H LYS 95 HN LYS 95 -2.066 -7.987 -1.771 678 HA LYS 95 HA LYS 95 -4.117 -9.761 -0.723 679 1HB LYS 95 HB2 LYS 95 -3.961 -6.823 -0.083 680 2HB LYS 95 HB1 LYS 95 -5.479 -7.703 -0.035 681 1HG LYS 95 HG2 LYS 95 -3.315 -8.987 1.452 682 2HG LYS 95 HG1 LYS 95 -3.766 -7.395 2.057 683 1HD LYS 95 HD2 LYS 95 -5.976 -8.053 2.470 684 2HD LYS 95 HD1 LYS 95 -5.834 -9.480 1.444 685 1HE LYS 95 HE2 LYS 95 -5.347 -10.678 3.249 686 2HE LYS 95 HE1 LYS 95 -3.862 -9.745 3.427 687 1HZ LYS 95 HZ1 LYS 95 -5.735 -8.107 4.486 688 2HZ LYS 95 HZ2 LYS 95 -4.730 -9.137 5.374 689 3HZ LYS 95 HZ3 LYS 95 -6.293 -9.631 4.960 690 H LYS 96 HN LYS 96 -5.256 -6.716 -1.718 691 HA LYS 96 HA LYS 96 -6.536 -7.858 -3.979 692 1HB LYS 96 HB2 LYS 96 -6.345 -4.926 -3.295 693 2HB LYS 96 HB1 LYS 96 -7.552 -5.702 -4.310 694 1HG LYS 96 HG2 LYS 96 -8.789 -6.351 -2.562 695 2HG LYS 96 HG1 LYS 96 -7.379 -6.788 -1.596 696 1HD LYS 96 HD2 LYS 96 -7.254 -4.017 -1.786 697 2HD LYS 96 HD1 LYS 96 -8.970 -4.364 -1.564 698 1HE LYS 96 HE2 LYS 96 -7.953 -6.014 0.281 699 2HE LYS 96 HE1 LYS 96 -6.690 -4.785 0.274 700 1HZ LYS 96 HZ1 LYS 96 -9.583 -4.332 0.763 701 2HZ LYS 96 HZ2 LYS 96 -8.421 -3.107 0.664 702 3HZ LYS 96 HZ3 LYS 96 -8.344 -4.247 1.910 703 H VAL 97 HN VAL 97 -5.301 -8.437 -5.676 704 HA VAL 97 HA VAL 97 -3.487 -6.444 -6.840 705 HB VAL 97 HB VAL 97 -2.237 -8.400 -6.400 706 1HG1 VAL 97 1HG1 VAL 97 -4.749 -9.787 -6.992 707 2HG1 VAL 97 2HG1 VAL 97 -3.458 -10.207 -5.865 708 3HG1 VAL 97 3HG1 VAL 97 -3.302 -10.608 -7.575 709 1HG2 VAL 97 1HG2 VAL 97 -2.247 -7.477 -8.830 710 2HG2 VAL 97 2HG2 VAL 97 -3.030 -9.008 -9.219 711 3HG2 VAL 97 3HG2 VAL 97 -1.427 -9.000 -8.484 712 H GLU 98 HN GLU 98 -4.330 -5.408 -8.550 713 HA GLU 98 HA GLU 98 -6.026 -6.913 -10.408 714 1HB GLU 98 HB2 GLU 98 -6.749 -4.166 -9.402 715 2HB GLU 98 HB1 GLU 98 -7.702 -5.189 -10.469 716 1HG GLU 98 HG2 GLU 98 -8.785 -5.755 -8.600 717 2HG GLU 98 HG1 GLU 98 -7.399 -6.803 -8.307 718 H GLU 99 HN GLU 99 -6.628 -5.200 -12.305 719 HA GLU 99 HA GLU 99 -4.021 -4.223 -13.228 720 1HB GLU 99 HB2 GLU 99 -6.434 -4.767 -14.942 721 2HB GLU 99 HB1 GLU 99 -4.772 -4.548 -15.468 722 1HG GLU 99 HG2 GLU 99 -4.125 -6.646 -14.546 723 2HG GLU 99 HG1 GLU 99 -5.683 -6.837 -13.744 724 H ARG 100 HN ARG 100 -4.085 -2.186 -12.235 725 HA ARG 100 HA ARG 100 -6.224 -0.362 -12.515 726 1HB ARG 100 HB2 ARG 100 -4.694 1.323 -11.701 727 2HB ARG 100 HB1 ARG 100 -4.472 -0.161 -10.787 728 1HG ARG 100 HG2 ARG 100 -2.329 -0.265 -11.331 729 2HG ARG 100 HG1 ARG 100 -2.698 -0.101 -13.051 730 1HD ARG 100 HD2 ARG 100 -2.623 2.234 -11.151 731 2HD ARG 100 HD1 ARG 100 -1.215 1.688 -12.056 732 HE ARG 100 HE ARG 100 -3.310 2.113 -13.858 733 1HH1 ARG 100 1HH1 ARG 100 -1.236 3.917 -11.709 734 2HH1 ARG 100 2HH1 ARG 100 -1.311 5.371 -12.646 735 1HH2 ARG 100 1HH2 ARG 100 -3.407 4.034 -15.101 736 2HH2 ARG 100 2HH2 ARG 100 -2.543 5.438 -14.570 737 H GLU 101 HN GLU 101 -6.695 1.157 -13.978 738 HA GLU 101 HA GLU 101 -4.884 2.016 -16.010 739 1HB GLU 101 HB2 GLU 101 -6.135 -0.368 -16.576 740 2HB GLU 101 HB1 GLU 101 -7.211 0.800 -17.328 741 1HG GLU 101 HG2 GLU 101 -5.773 1.241 -18.974 742 2HG GLU 101 HG1 GLU 101 -4.390 1.288 -17.883 743 H LEU 102 HN LEU 102 -5.628 3.927 -14.812 744 HA LEU 102 HA LEU 102 -8.350 4.761 -14.999 745 1HB LEU 102 HB2 LEU 102 -5.798 6.028 -14.108 746 2HB LEU 102 HB1 LEU 102 -7.215 7.028 -14.358 747 HG LEU 102 HG LEU 102 -8.431 5.886 -12.647 748 1HD1 LEU 102 1HD1 LEU 102 -6.246 3.876 -12.896 749 2HD1 LEU 102 2HD1 LEU 102 -7.990 3.637 -12.779 750 3HD1 LEU 102 3HD1 LEU 102 -7.058 4.070 -11.345 751 1HD2 LEU 102 1HD2 LEU 102 -5.609 6.596 -11.926 752 2HD2 LEU 102 2HD2 LEU 102 -6.787 6.115 -10.703 753 3HD2 LEU 102 3HD2 LEU 102 -7.080 7.542 -11.699 754 HA PRO 103 HA PRO 103 -6.702 7.818 -18.355 755 1HB PRO 103 HB2 PRO 103 -4.286 7.261 -19.477 756 2HB PRO 103 HB1 PRO 103 -4.481 8.320 -18.075 757 1HG PRO 103 HG2 PRO 103 -3.680 5.437 -18.177 758 2HG PRO 103 HG1 PRO 103 -3.003 6.753 -17.201 759 1HD PRO 103 HD2 PRO 103 -4.738 4.952 -16.190 760 2HD PRO 103 HD1 PRO 103 -4.700 6.637 -15.639 761 H GLU 104 HN GLU 104 -7.965 7.318 -20.014 762 HA GLU 104 HA GLU 104 -7.774 4.700 -21.269 763 1HB GLU 104 HB2 GLU 104 -9.973 5.773 -20.604 764 2HB GLU 104 HB1 GLU 104 -9.721 6.909 -21.923 765 1HG GLU 104 HG2 GLU 104 -9.373 4.248 -22.893 766 2HG GLU 104 HG1 GLU 104 -10.900 4.359 -22.020 767 H LEU 105 HN LEU 105 -7.431 8.117 -22.101 768 HA LEU 105 HA LEU 105 -6.409 7.339 -24.744 769 1HB LEU 105 HB2 LEU 105 -7.939 9.618 -23.732 770 2HB LEU 105 HB1 LEU 105 -6.590 10.088 -24.751 771 HG LEU 105 HG LEU 105 -8.637 8.057 -25.619 772 1HD1 LEU 105 1HD1 LEU 105 -9.595 9.950 -26.957 773 2HD1 LEU 105 2HD1 LEU 105 -8.645 11.046 -25.955 774 3HD1 LEU 105 3HD1 LEU 105 -9.889 10.035 -25.219 775 1HD2 LEU 105 1HD2 LEU 105 -7.010 7.785 -27.153 776 2HD2 LEU 105 2HD2 LEU 105 -6.271 9.348 -26.804 777 3HD2 LEU 105 3HD2 LEU 105 -7.693 9.256 -27.845 778 H THR 106 HN THR 106 -4.762 9.204 -25.506 779 HA THR 106 HA THR 106 -2.701 9.357 -23.403 780 HB THR 106 HB THR 106 -2.077 9.313 -26.345 781 HG1 THR 106 HG1 THR 106 -2.573 7.118 -24.635 782 1HG2 THR 106 1HG2 THR 106 -0.185 7.885 -24.887 783 2HG2 THR 106 2HG2 THR 106 -0.531 9.321 -23.922 784 3HG2 THR 106 3HG2 THR 106 -0.004 9.490 -25.597 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -16.235 6.777 9.628 2 2H GLY 1 HT2 GLY 1 -17.910 6.996 9.690 3 3H GLY 1 HT3 GLY 1 -16.876 8.265 10.115 4 1HA GLY 1 HA1 GLY 1 -18.013 8.125 7.752 5 2HA GLY 1 HA2 GLY 1 -16.428 8.843 7.996 6 H SER 2 HN SER 2 -14.564 7.668 7.407 7 HA SER 2 HA SER 2 -13.338 6.364 6.001 8 1HB SER 2 HB2 SER 2 -15.430 4.228 6.415 9 2HB SER 2 HB1 SER 2 -13.710 4.019 6.092 10 HG SER 2 HG SER 2 -14.132 3.694 8.285 11 H HIS 3 HN HIS 3 -13.544 7.395 4.064 12 HA HIS 3 HA HIS 3 -15.467 6.211 2.184 13 1HB HIS 3 HB2 HIS 3 -14.979 9.128 2.719 14 2HB HIS 3 HB1 HIS 3 -15.544 8.587 1.142 15 HD2 HIS 3 HD2 HIS 3 -18.228 8.050 0.989 16 HE1 HIS 3 HE1 HIS 3 -19.095 8.547 5.113 17 HE2 HIS 3 HE2 HIS 3 -20.060 8.283 2.800 18 H MET 4 HN MET 4 -14.827 6.470 -0.085 19 HA MET 4 HA MET 4 -11.915 6.789 -0.380 20 1HB MET 4 HB2 MET 4 -13.423 4.454 -0.773 21 2HB MET 4 HB1 MET 4 -13.044 5.043 -2.386 22 1HG MET 4 HG2 MET 4 -11.056 4.492 -0.194 23 2HG MET 4 HG1 MET 4 -11.372 3.467 -1.591 24 1HE MET 4 HE1 MET 4 -10.026 6.601 -0.125 25 2HE MET 4 HE2 MET 4 -8.875 7.231 -1.301 26 3HE MET 4 HE3 MET 4 -8.530 5.725 -0.448 27 H GLN 5 HN GLN 5 -11.743 8.739 -1.308 28 HA GLN 5 HA GLN 5 -13.610 9.697 -3.259 29 1HB GLN 5 HB2 GLN 5 -10.989 10.741 -2.198 30 2HB GLN 5 HB1 GLN 5 -11.849 11.549 -3.502 31 1HG GLN 5 HG2 GLN 5 -13.267 12.508 -2.091 32 2HG GLN 5 HG1 GLN 5 -13.597 10.984 -1.270 33 1HE2 GLN 5 1HE2 GLN 5 -13.682 12.216 0.683 34 2HE2 GLN 5 2HE2 GLN 5 -12.224 12.674 1.488 35 H ALA 6 HN ALA 6 -10.257 8.536 -3.348 36 HA ALA 6 HA ALA 6 -9.783 8.918 -6.076 37 1HB ALA 6 HB1 ALA 6 -8.641 6.685 -4.411 38 2HB ALA 6 HB2 ALA 6 -8.085 8.355 -4.316 39 3HB ALA 6 HB3 ALA 6 -7.923 7.456 -5.826 40 H THR 7 HN THR 7 -9.914 7.530 -7.862 41 HA THR 7 HA THR 7 -11.711 5.217 -7.522 42 HB THR 7 HB THR 7 -11.650 6.795 -10.068 43 HG1 THR 7 HG1 THR 7 -12.658 8.399 -9.200 44 1HG2 THR 7 1HG2 THR 7 -13.994 6.104 -10.207 45 2HG2 THR 7 2HG2 THR 7 -13.811 5.221 -8.690 46 3HG2 THR 7 3HG2 THR 7 -12.893 4.729 -10.114 47 H TRP 8 HN TRP 8 -11.502 3.555 -9.185 48 HA TRP 8 HA TRP 8 -8.936 3.524 -10.587 49 1HB TRP 8 HB2 TRP 8 -9.900 1.421 -8.645 50 2HB TRP 8 HB1 TRP 8 -8.608 1.144 -9.811 51 HD1 TRP 8 HD1 TRP 8 -9.361 3.740 -7.016 52 HE1 TRP 8 HE1 TRP 8 -7.147 4.261 -5.819 53 HE3 TRP 8 HE3 TRP 8 -6.237 0.815 -9.799 54 HZ2 TRP 8 HZ2 TRP 8 -4.417 3.520 -6.034 55 HZ3 TRP 8 HZ3 TRP 8 -3.853 0.782 -9.239 56 HH2 TRP 8 HH2 TRP 8 -2.954 2.095 -7.397 57 H LYS 9 HN LYS 9 -8.815 1.408 -11.931 58 HA LYS 9 HA LYS 9 -11.442 0.642 -12.990 59 1HB LYS 9 HB2 LYS 9 -9.201 1.292 -14.883 60 2HB LYS 9 HB1 LYS 9 -10.917 1.126 -15.223 61 1HG LYS 9 HG2 LYS 9 -10.091 3.298 -13.392 62 2HG LYS 9 HG1 LYS 9 -9.714 3.476 -15.105 63 1HD LYS 9 HD2 LYS 9 -12.023 3.226 -15.704 64 2HD LYS 9 HD1 LYS 9 -12.457 2.818 -14.042 65 1HE LYS 9 HE2 LYS 9 -13.069 5.113 -14.534 66 2HE LYS 9 HE1 LYS 9 -11.784 5.066 -13.328 67 1HZ LYS 9 HZ1 LYS 9 -10.384 5.232 -15.606 68 2HZ LYS 9 HZ2 LYS 9 -10.831 6.565 -14.668 69 3HZ LYS 9 HZ3 LYS 9 -11.757 6.132 -16.016 70 H GLU 10 HN GLU 10 -8.917 -0.445 -11.519 71 HA GLU 10 HA GLU 10 -7.826 -2.417 -13.208 72 1HB GLU 10 HB2 GLU 10 -6.913 -3.385 -11.132 73 2HB GLU 10 HB1 GLU 10 -6.602 -1.669 -11.282 74 1HG GLU 10 HG2 GLU 10 -8.809 -1.475 -9.866 75 2HG GLU 10 HG1 GLU 10 -8.361 -3.109 -9.377 76 H LYS 11 HN LYS 11 -8.341 -4.454 -13.634 77 HA LYS 11 HA LYS 11 -10.990 -5.352 -13.258 78 1HB LYS 11 HB2 LYS 11 -8.599 -7.034 -14.027 79 2HB LYS 11 HB1 LYS 11 -10.286 -7.359 -14.393 80 1HG LYS 11 HG2 LYS 11 -10.387 -5.659 -15.993 81 2HG LYS 11 HG1 LYS 11 -8.907 -4.900 -15.409 82 1HD LYS 11 HD2 LYS 11 -7.556 -6.616 -16.310 83 2HD LYS 11 HD1 LYS 11 -8.943 -7.673 -16.572 84 1HE LYS 11 HE2 LYS 11 -9.796 -6.098 -18.258 85 2HE LYS 11 HE1 LYS 11 -8.370 -5.089 -18.020 86 1HZ LYS 11 HZ1 LYS 11 -8.435 -7.861 -19.077 87 2HZ LYS 11 HZ2 LYS 11 -7.013 -7.026 -18.703 88 3HZ LYS 11 HZ3 LYS 11 -8.031 -6.455 -19.927 89 H ASP 12 HN ASP 12 -10.270 -8.202 -12.689 90 HA ASP 12 HA ASP 12 -9.639 -7.986 -9.831 91 1HB ASP 12 HB2 ASP 12 -12.141 -8.819 -11.037 92 2HB ASP 12 HB1 ASP 12 -11.463 -10.096 -10.032 93 H GLY 13 HN GLY 13 -8.239 -8.946 -12.366 94 1HA GLY 13 HA2 GLY 13 -7.829 -11.767 -11.710 95 2HA GLY 13 HA1 GLY 13 -7.239 -10.939 -13.143 96 H ALA 14 HN ALA 14 -5.226 -12.082 -12.597 97 HA ALA 14 HA ALA 14 -3.774 -11.450 -10.244 98 1HB ALA 14 HB1 ALA 14 -3.507 -13.405 -11.982 99 2HB ALA 14 HB2 ALA 14 -2.128 -12.815 -11.055 100 3HB ALA 14 HB3 ALA 14 -2.358 -12.289 -12.722 101 H VAL 15 HN VAL 15 -1.277 -10.763 -10.961 102 HA VAL 15 HA VAL 15 -1.454 -7.930 -11.341 103 HB VAL 15 HB VAL 15 0.302 -8.936 -9.947 104 1HG1 VAL 15 1HG1 VAL 15 0.681 -10.668 -12.061 105 2HG1 VAL 15 2HG1 VAL 15 1.705 -10.523 -10.633 106 3HG1 VAL 15 3HG1 VAL 15 2.108 -9.635 -12.101 107 1HG2 VAL 15 1HG2 VAL 15 1.577 -7.146 -10.283 108 2HG2 VAL 15 2HG2 VAL 15 0.500 -6.771 -11.625 109 3HG2 VAL 15 3HG2 VAL 15 2.001 -7.648 -11.919 110 H GLU 16 HN GLU 16 -0.562 -6.698 -13.107 111 HA GLU 16 HA GLU 16 -0.008 -8.207 -15.532 112 1HB GLU 16 HB2 GLU 16 -2.284 -6.378 -15.112 113 2HB GLU 16 HB1 GLU 16 -1.361 -6.089 -16.578 114 1HG GLU 16 HG2 GLU 16 -1.835 -8.888 -16.303 115 2HG GLU 16 HG1 GLU 16 -3.357 -8.019 -16.113 116 H ALA 17 HN ALA 17 0.982 -6.851 -17.181 117 HA ALA 17 HA ALA 17 3.344 -5.885 -16.828 118 1HB ALA 17 HB1 ALA 17 3.192 -4.974 -18.845 119 2HB ALA 17 HB2 ALA 17 2.054 -3.746 -18.289 120 3HB ALA 17 HB3 ALA 17 1.468 -5.334 -18.782 121 H GLU 18 HN GLU 18 0.960 -3.210 -16.700 122 HA GLU 18 HA GLU 18 2.572 -2.078 -14.503 123 1HB GLU 18 HB2 GLU 18 0.948 -0.543 -16.527 124 2HB GLU 18 HB1 GLU 18 2.038 0.128 -15.321 125 1HG GLU 18 HG2 GLU 18 3.935 -0.581 -16.453 126 2HG GLU 18 HG1 GLU 18 3.044 -1.780 -17.391 127 H ASP 19 HN ASP 19 1.091 -3.427 -13.158 128 HA ASP 19 HA ASP 19 -1.601 -2.319 -12.827 129 1HB ASP 19 HB2 ASP 19 -0.233 -4.811 -11.841 130 2HB ASP 19 HB1 ASP 19 -1.823 -4.322 -11.277 131 H ARG 20 HN ARG 20 -2.181 -2.902 -10.265 132 HA ARG 20 HA ARG 20 -0.249 -1.685 -8.479 133 1HB ARG 20 HB2 ARG 20 -2.253 -0.117 -9.619 134 2HB ARG 20 HB1 ARG 20 -2.861 -0.503 -8.022 135 1HG ARG 20 HG2 ARG 20 -1.448 0.899 -7.038 136 2HG ARG 20 HG1 ARG 20 -0.081 0.322 -7.981 137 1HD ARG 20 HD2 ARG 20 -0.370 1.894 -9.623 138 2HD ARG 20 HD1 ARG 20 -2.107 2.006 -9.346 139 HE ARG 20 HE ARG 20 -0.960 3.036 -7.082 140 1HH1 ARG 20 1HH1 ARG 20 -0.817 3.765 -10.495 141 2HH1 ARG 20 2HH1 ARG 20 -0.537 5.455 -10.247 142 1HH2 ARG 20 1HH2 ARG 20 -0.598 5.261 -6.758 143 2HH2 ARG 20 2HH2 ARG 20 -0.413 6.305 -8.128 144 H VAL 21 HN VAL 21 -0.168 -3.132 -6.859 145 HA VAL 21 HA VAL 21 -2.524 -4.700 -6.152 146 HB VAL 21 HB VAL 21 -0.933 -5.972 -4.714 147 1HG1 VAL 21 1HG1 VAL 21 0.218 -7.091 -6.567 148 2HG1 VAL 21 2HG1 VAL 21 -0.169 -5.724 -7.616 149 3HG1 VAL 21 3HG1 VAL 21 -1.455 -6.716 -6.964 150 1HG2 VAL 21 1HG2 VAL 21 0.778 -3.748 -5.400 151 2HG2 VAL 21 2HG2 VAL 21 1.529 -5.289 -5.803 152 3HG2 VAL 21 3HG2 VAL 21 0.975 -4.979 -4.157 153 H THR 22 HN THR 22 -2.710 -5.206 -3.724 154 HA THR 22 HA THR 22 -2.290 -2.755 -2.139 155 HB THR 22 HB THR 22 -4.631 -4.670 -1.952 156 HG1 THR 22 HG1 THR 22 -5.307 -3.425 -3.509 157 1HG2 THR 22 1HG2 THR 22 -5.137 -2.231 -0.630 158 2HG2 THR 22 2HG2 THR 22 -3.594 -2.848 -0.032 159 3HG2 THR 22 3HG2 THR 22 -5.044 -3.853 0.054 160 H ILE 23 HN ILE 23 -0.743 -3.195 -0.691 161 HA ILE 23 HA ILE 23 -0.754 -5.865 0.567 162 HB ILE 23 HB ILE 23 1.720 -5.703 0.670 163 1HG1 ILE 23 2HG1 ILE 23 1.415 -3.445 -1.305 164 2HG1 ILE 23 1HG1 ILE 23 1.725 -3.195 0.408 165 1HG2 ILE 23 1HG2 ILE 23 1.673 -6.993 -1.135 166 2HG2 ILE 23 2HG2 ILE 23 1.564 -5.566 -2.165 167 3HG2 ILE 23 3HG2 ILE 23 0.093 -6.327 -1.559 168 1HD1 ILE 23 1HD1 ILE 23 3.554 -5.040 -0.919 169 2HD1 ILE 23 2HD1 ILE 23 3.883 -3.742 0.225 170 3HD1 ILE 23 3HD1 ILE 23 3.634 -3.374 -1.482 171 H ASP 24 HN ASP 24 0.151 -6.027 2.650 172 HA ASP 24 HA ASP 24 0.352 -3.515 4.196 173 1HB ASP 24 HB2 ASP 24 -0.555 -4.863 6.142 174 2HB ASP 24 HB1 ASP 24 -1.724 -4.538 4.870 175 H PHE 25 HN PHE 25 2.370 -3.347 5.153 176 HA PHE 25 HA PHE 25 3.743 -5.839 5.861 177 1HB PHE 25 HB2 PHE 25 5.769 -5.235 4.741 178 2HB PHE 25 HB1 PHE 25 4.445 -5.165 3.581 179 HD1 PHE 25 HD1 PHE 25 4.055 -3.240 2.336 180 HD2 PHE 25 HD2 PHE 25 6.561 -3.056 5.771 181 HE1 PHE 25 HE1 PHE 25 4.652 -0.924 1.786 182 HE2 PHE 25 HE2 PHE 25 7.156 -0.728 5.215 183 HZ PHE 25 HZ PHE 25 6.191 0.333 3.212 184 H THR 26 HN THR 26 5.806 -5.472 7.019 185 HA THR 26 HA THR 26 5.997 -2.998 8.548 186 HB THR 26 HB THR 26 5.481 -5.704 9.795 187 HG1 THR 26 HG1 THR 26 3.976 -3.788 10.809 188 1HG2 THR 26 1HG2 THR 26 7.032 -4.890 11.286 189 2HG2 THR 26 2HG2 THR 26 5.518 -4.280 11.955 190 3HG2 THR 26 3HG2 THR 26 6.565 -3.210 11.022 191 H GLY 27 HN GLY 27 8.106 -2.468 8.392 192 1HA GLY 27 HA2 GLY 27 10.130 -4.431 9.080 193 2HA GLY 27 HA1 GLY 27 10.174 -3.886 7.417 194 H SER 28 HN SER 28 12.352 -3.531 8.918 195 HA SER 28 HA SER 28 12.330 -0.691 9.717 196 1HB SER 28 HB2 SER 28 14.762 -1.980 10.480 197 2HB SER 28 HB1 SER 28 13.483 -1.371 11.523 198 HG SER 28 HG SER 28 12.485 -3.359 11.441 199 H VAL 29 HN VAL 29 14.495 0.397 9.399 200 HA VAL 29 HA VAL 29 15.474 -0.184 6.706 201 HB VAL 29 HB VAL 29 14.532 1.971 6.644 202 1HG1 VAL 29 1HG1 VAL 29 14.319 3.366 8.354 203 2HG1 VAL 29 2HG1 VAL 29 16.051 3.370 8.674 204 3HG1 VAL 29 3HG1 VAL 29 15.032 2.108 9.358 205 1HG2 VAL 29 1HG2 VAL 29 16.259 2.659 5.443 206 2HG2 VAL 29 2HG2 VAL 29 17.376 1.693 6.402 207 3HG2 VAL 29 3HG2 VAL 29 16.968 3.330 6.910 208 H ASP 30 HN ASP 30 16.981 1.673 9.352 209 HA ASP 30 HA ASP 30 19.429 0.157 8.875 210 1HB ASP 30 HB2 ASP 30 18.802 2.825 10.062 211 2HB ASP 30 HB1 ASP 30 20.254 1.993 10.611 212 H GLY 31 HN GLY 31 17.385 -1.254 10.113 213 1HA GLY 31 HA2 GLY 31 17.582 -2.874 11.833 214 2HA GLY 31 HA1 GLY 31 18.620 -1.767 12.720 215 H GLU 32 HN GLU 32 16.394 0.299 11.841 216 HA GLU 32 HA GLU 32 14.407 -0.442 13.865 217 1HB GLU 32 HB2 GLU 32 15.588 2.328 13.670 218 2HB GLU 32 HB1 GLU 32 14.484 1.717 14.896 219 1HG GLU 32 HG2 GLU 32 16.280 0.110 15.578 220 2HG GLU 32 HG1 GLU 32 17.367 0.971 14.489 221 H GLU 33 HN GLU 33 12.438 -0.319 13.056 222 HA GLU 33 HA GLU 33 11.836 0.552 10.504 223 1HB GLU 33 HB2 GLU 33 9.429 0.439 11.301 224 2HB GLU 33 HB1 GLU 33 10.377 -1.030 11.447 225 1HG GLU 33 HG2 GLU 33 10.711 -0.576 13.819 226 2HG GLU 33 HG1 GLU 33 9.764 0.905 13.667 227 H PHE 34 HN PHE 34 11.688 2.464 9.666 228 HA PHE 34 HA PHE 34 11.585 4.822 11.282 229 1HB PHE 34 HB2 PHE 34 11.993 5.985 9.162 230 2HB PHE 34 HB1 PHE 34 13.134 4.675 9.411 231 HD1 PHE 34 HD1 PHE 34 12.514 2.396 8.251 232 HD2 PHE 34 HD2 PHE 34 10.915 6.176 7.113 233 HE1 PHE 34 HE1 PHE 34 11.945 1.487 6.042 234 HE2 PHE 34 HE2 PHE 34 10.342 5.267 4.903 235 HZ PHE 34 HZ PHE 34 10.855 2.920 4.365 236 H GLU 35 HN GLU 35 10.221 6.003 8.758 237 HA GLU 35 HA GLU 35 7.665 6.366 9.942 238 1HB GLU 35 HB2 GLU 35 8.690 7.097 7.192 239 2HB GLU 35 HB1 GLU 35 7.143 7.609 7.850 240 1HG GLU 35 HG2 GLU 35 8.529 9.437 8.176 241 2HG GLU 35 HG1 GLU 35 8.504 8.644 9.751 242 H GLY 36 HN GLY 36 8.701 4.864 6.881 243 1HA GLY 36 HA2 GLY 36 6.127 3.645 6.452 244 2HA GLY 36 HA1 GLY 36 7.558 3.442 5.457 245 H GLY 37 HN GLY 37 8.231 2.865 8.721 246 1HA GLY 37 HA2 GLY 37 8.959 0.219 8.339 247 2HA GLY 37 HA1 GLY 37 8.661 0.962 9.899 248 H LYS 38 HN LYS 38 5.806 1.433 8.572 249 HA LYS 38 HA LYS 38 4.781 -1.272 8.746 250 1HB LYS 38 HB2 LYS 38 4.430 0.751 10.856 251 2HB LYS 38 HB1 LYS 38 2.950 -0.047 10.340 252 1HG LYS 38 HG2 LYS 38 3.456 -1.833 11.540 253 2HG LYS 38 HG1 LYS 38 4.986 -2.013 10.677 254 1HD LYS 38 HD2 LYS 38 5.391 -1.805 13.059 255 2HD LYS 38 HD1 LYS 38 6.017 -0.388 12.212 256 1HE LYS 38 HE2 LYS 38 4.250 0.967 12.941 257 2HE LYS 38 HE1 LYS 38 3.269 -0.421 13.413 258 1HZ LYS 38 HZ1 LYS 38 4.303 0.811 15.293 259 2HZ LYS 38 HZ2 LYS 38 5.820 0.309 14.739 260 3HZ LYS 38 HZ3 LYS 38 4.686 -0.836 15.254 261 H ALA 39 HN ALA 39 3.234 -1.579 7.334 262 HA ALA 39 HA ALA 39 1.535 0.641 6.485 263 1HB ALA 39 HB1 ALA 39 3.495 -0.781 4.786 264 2HB ALA 39 HB2 ALA 39 2.849 0.856 4.652 265 3HB ALA 39 HB3 ALA 39 1.894 -0.517 4.087 266 H SER 40 HN SER 40 -0.495 0.026 5.793 267 HA SER 40 HA SER 40 -1.122 -2.831 6.134 268 1HB SER 40 HB2 SER 40 -2.114 -1.585 7.943 269 2HB SER 40 HB1 SER 40 -2.787 -0.401 6.823 270 HG SER 40 HG SER 40 -4.138 -2.283 7.684 271 H ASP 41 HN ASP 41 -2.429 0.126 4.579 272 HA ASP 41 HA ASP 41 -3.338 -1.527 2.363 273 1HB ASP 41 HB2 ASP 41 -4.220 1.191 3.360 274 2HB ASP 41 HB1 ASP 41 -4.674 0.568 1.776 275 H PHE 42 HN PHE 42 -0.948 -1.535 1.832 276 HA PHE 42 HA PHE 42 0.036 1.006 0.791 277 1HB PHE 42 HB2 PHE 42 1.524 -0.582 2.098 278 2HB PHE 42 HB1 PHE 42 1.445 -1.663 0.715 279 HD1 PHE 42 HD1 PHE 42 3.673 -1.674 -0.057 280 HD2 PHE 42 HD2 PHE 42 1.715 2.034 0.693 281 HE1 PHE 42 HE1 PHE 42 5.543 -0.480 -1.097 282 HE2 PHE 42 HE2 PHE 42 3.596 3.233 -0.342 283 HZ PHE 42 HZ PHE 42 5.513 1.976 -1.240 284 H VAL 43 HN VAL 43 -0.741 1.554 -1.141 285 HA VAL 43 HA VAL 43 -1.477 -0.467 -3.070 286 HB VAL 43 HB VAL 43 -1.520 2.541 -3.331 287 1HG1 VAL 43 1HG1 VAL 43 -1.985 0.428 -5.208 288 2HG1 VAL 43 2HG1 VAL 43 -2.072 2.174 -5.455 289 3HG1 VAL 43 3HG1 VAL 43 -3.498 1.290 -4.911 290 1HG2 VAL 43 1HG2 VAL 43 -4.061 1.137 -2.991 291 2HG2 VAL 43 2HG2 VAL 43 -3.474 2.618 -2.236 292 3HG2 VAL 43 3HG2 VAL 43 -3.005 1.049 -1.581 293 H LEU 44 HN LEU 44 0.347 -1.424 -3.817 294 HA LEU 44 HA LEU 44 2.578 0.175 -4.751 295 1HB LEU 44 HB2 LEU 44 2.279 -2.387 -3.680 296 2HB LEU 44 HB1 LEU 44 2.719 -2.651 -5.352 297 HG LEU 44 HG LEU 44 4.300 -1.260 -3.212 298 1HD1 LEU 44 1HD1 LEU 44 5.202 -3.288 -3.127 299 2HD1 LEU 44 2HD1 LEU 44 5.881 -2.949 -4.719 300 3HD1 LEU 44 3HD1 LEU 44 4.352 -3.804 -4.581 301 1HD2 LEU 44 1HD2 LEU 44 5.910 -1.082 -5.358 302 2HD2 LEU 44 2HD2 LEU 44 4.870 0.233 -4.812 303 3HD2 LEU 44 3HD2 LEU 44 4.346 -0.818 -6.128 304 H ALA 45 HN ALA 45 3.168 0.433 -6.856 305 HA ALA 45 HA ALA 45 1.215 -0.439 -8.879 306 1HB ALA 45 HB1 ALA 45 2.192 1.426 -10.248 307 2HB ALA 45 HB2 ALA 45 3.107 1.899 -8.816 308 3HB ALA 45 HB3 ALA 45 1.346 1.926 -8.784 309 H MET 46 HN MET 46 1.928 -2.329 -9.778 310 HA MET 46 HA MET 46 4.634 -3.059 -10.061 311 1HB MET 46 HB2 MET 46 2.037 -4.106 -11.078 312 2HB MET 46 HB1 MET 46 3.520 -4.681 -11.828 313 1HG MET 46 HG2 MET 46 3.218 -6.238 -10.189 314 2HG MET 46 HG1 MET 46 4.274 -5.083 -9.384 315 1HE MET 46 HE1 MET 46 3.798 -3.470 -7.986 316 2HE MET 46 HE2 MET 46 3.170 -4.242 -6.531 317 3HE MET 46 HE3 MET 46 2.244 -2.969 -7.323 318 H GLY 47 HN GLY 47 5.551 -1.186 -11.050 319 1HA GLY 47 HA2 GLY 47 6.728 -0.747 -13.108 320 2HA GLY 47 HA1 GLY 47 5.307 -1.290 -13.984 321 H GLN 48 HN GLN 48 6.007 1.156 -11.488 322 HA GLN 48 HA GLN 48 4.436 3.080 -13.070 323 1HB GLN 48 HB2 GLN 48 4.111 2.356 -10.443 324 2HB GLN 48 HB1 GLN 48 5.097 3.804 -10.297 325 1HG GLN 48 HG2 GLN 48 2.955 4.210 -12.176 326 2HG GLN 48 HG1 GLN 48 2.337 3.657 -10.620 327 1HE2 GLN 48 1HE2 GLN 48 1.383 5.855 -10.702 328 2HE2 GLN 48 2HE2 GLN 48 2.316 7.162 -10.067 329 H GLY 49 HN GLY 49 6.963 3.373 -10.577 330 1HA GLY 49 HA2 GLY 49 8.288 5.387 -12.259 331 2HA GLY 49 HA1 GLY 49 8.523 5.180 -10.528 332 H ARG 50 HN ARG 50 9.122 2.613 -10.203 333 HA ARG 50 HA ARG 50 10.817 1.373 -12.023 334 1HB ARG 50 HB2 ARG 50 13.030 1.902 -11.181 335 2HB ARG 50 HB1 ARG 50 12.238 3.371 -11.731 336 1HG ARG 50 HG2 ARG 50 12.513 4.319 -9.752 337 2HG ARG 50 HG1 ARG 50 11.692 2.979 -8.950 338 1HD ARG 50 HD2 ARG 50 14.113 3.503 -8.274 339 2HD ARG 50 HD1 ARG 50 13.679 1.824 -8.581 340 HE ARG 50 HE ARG 50 15.198 3.551 -10.420 341 1HH1 ARG 50 1HH1 ARG 50 14.278 0.363 -9.304 342 2HH1 ARG 50 2HH1 ARG 50 15.407 -0.449 -10.334 343 1HH2 ARG 50 1HH2 ARG 50 16.670 2.475 -11.769 344 2HH2 ARG 50 2HH2 ARG 50 16.762 0.745 -11.729 345 H MET 51 HN MET 51 9.212 -0.029 -10.817 346 HA MET 51 HA MET 51 9.311 -0.754 -8.189 347 1HB MET 51 HB2 MET 51 7.879 -1.665 -10.168 348 2HB MET 51 HB1 MET 51 9.133 -2.890 -10.283 349 1HG MET 51 HG2 MET 51 7.893 -4.022 -8.821 350 2HG MET 51 HG1 MET 51 8.574 -2.927 -7.619 351 1HE MET 51 HE1 MET 51 5.788 -0.173 -7.428 352 2HE MET 51 HE2 MET 51 6.757 -0.181 -8.901 353 3HE MET 51 HE3 MET 51 7.520 -0.493 -7.342 354 H ILE 52 HN ILE 52 11.014 -1.177 -6.965 355 HA ILE 52 HA ILE 52 13.494 -2.139 -7.960 356 HB ILE 52 HB ILE 52 13.871 -2.598 -5.387 357 1HG1 ILE 52 2HG1 ILE 52 11.607 -0.594 -5.301 358 2HG1 ILE 52 1HG1 ILE 52 11.429 -2.290 -4.863 359 1HG2 ILE 52 1HG2 ILE 52 15.077 -0.928 -6.578 360 2HG2 ILE 52 2HG2 ILE 52 14.430 -0.179 -5.117 361 3HG2 ILE 52 3HG2 ILE 52 13.655 0.113 -6.675 362 1HD1 ILE 52 1HD1 ILE 52 13.303 -0.354 -3.526 363 2HD1 ILE 52 2HD1 ILE 52 12.982 -2.020 -3.043 364 3HD1 ILE 52 3HD1 ILE 52 11.707 -0.805 -2.925 365 HA PRO 53 HA PRO 53 13.169 -6.524 -7.911 366 1HB PRO 53 HB2 PRO 53 15.344 -7.261 -6.365 367 2HB PRO 53 HB1 PRO 53 15.415 -6.864 -8.085 368 1HG PRO 53 HG2 PRO 53 16.051 -5.161 -5.716 369 2HG PRO 53 HG1 PRO 53 16.880 -5.264 -7.280 370 1HD PRO 53 HD2 PRO 53 15.232 -3.227 -6.699 371 2HD PRO 53 HD1 PRO 53 15.317 -3.911 -8.338 372 H GLY 54 HN GLY 54 13.368 -4.779 -4.929 373 1HA GLY 54 HA2 GLY 54 12.831 -6.922 -3.152 374 2HA GLY 54 HA1 GLY 54 12.599 -5.212 -2.821 375 H PHE 55 HN PHE 55 10.668 -4.309 -4.262 376 HA PHE 55 HA PHE 55 8.369 -5.628 -3.267 377 1HB PHE 55 HB2 PHE 55 8.753 -3.258 -5.088 378 2HB PHE 55 HB1 PHE 55 7.162 -3.877 -4.685 379 HD1 PHE 55 HD1 PHE 55 6.734 -4.143 -2.061 380 HD2 PHE 55 HD2 PHE 55 9.603 -1.547 -3.836 381 HE1 PHE 55 HE1 PHE 55 6.731 -2.775 -0.039 382 HE2 PHE 55 HE2 PHE 55 9.599 -0.160 -1.804 383 HZ PHE 55 HZ PHE 55 8.160 -0.773 0.094 384 H GLU 56 HN GLU 56 9.712 -5.144 -6.506 385 HA GLU 56 HA GLU 56 7.732 -6.338 -8.014 386 1HB GLU 56 HB2 GLU 56 10.276 -5.351 -8.491 387 2HB GLU 56 HB1 GLU 56 10.401 -7.041 -8.955 388 1HG GLU 56 HG2 GLU 56 8.044 -6.305 -10.114 389 2HG GLU 56 HG1 GLU 56 9.002 -4.832 -10.248 390 H ASP 57 HN ASP 57 9.938 -7.813 -5.807 391 HA ASP 57 HA ASP 57 9.712 -10.453 -6.927 392 1HB ASP 57 HB2 ASP 57 11.702 -9.622 -5.617 393 2HB ASP 57 HB1 ASP 57 10.707 -9.719 -4.170 394 H GLY 58 HN GLY 58 8.948 -9.470 -3.575 395 1HA GLY 58 HA2 GLY 58 7.085 -11.546 -3.215 396 2HA GLY 58 HA1 GLY 58 7.263 -10.138 -2.181 397 H ILE 59 HN ILE 59 6.509 -8.073 -3.587 398 HA ILE 59 HA ILE 59 3.690 -8.410 -3.898 399 HB ILE 59 HB ILE 59 5.334 -5.928 -4.445 400 1HG1 ILE 59 2HG1 ILE 59 4.715 -5.421 -2.000 401 2HG1 ILE 59 1HG1 ILE 59 4.518 -7.146 -1.817 402 1HG2 ILE 59 1HG2 ILE 59 2.477 -6.559 -3.997 403 2HG2 ILE 59 2HG2 ILE 59 3.229 -5.339 -5.024 404 3HG2 ILE 59 3HG2 ILE 59 3.089 -5.063 -3.291 405 1HD1 ILE 59 1HD1 ILE 59 6.812 -5.731 -1.429 406 2HD1 ILE 59 2HD1 ILE 59 7.022 -6.360 -3.055 407 3HD1 ILE 59 3HD1 ILE 59 6.721 -7.464 -1.721 408 H LYS 60 HN LYS 60 5.117 -9.822 -5.682 409 HA LYS 60 HA LYS 60 5.443 -8.744 -8.272 410 1HB LYS 60 HB2 LYS 60 4.962 -11.444 -7.187 411 2HB LYS 60 HB1 LYS 60 4.331 -11.211 -8.814 412 1HG LYS 60 HG2 LYS 60 6.521 -10.548 -9.603 413 2HG LYS 60 HG1 LYS 60 7.166 -10.671 -7.967 414 1HD LYS 60 HD2 LYS 60 5.956 -13.136 -8.446 415 2HD LYS 60 HD1 LYS 60 6.782 -12.733 -9.951 416 1HE LYS 60 HE2 LYS 60 8.769 -13.188 -9.057 417 2HE LYS 60 HE1 LYS 60 8.456 -12.118 -7.691 418 1HZ LYS 60 HZ1 LYS 60 7.790 -13.821 -6.390 419 2HZ LYS 60 HZ2 LYS 60 8.790 -14.718 -7.416 420 3HZ LYS 60 HZ3 LYS 60 7.117 -14.707 -7.664 421 H GLY 61 HN GLY 61 2.687 -10.264 -6.754 422 1HA GLY 61 HA2 GLY 61 0.484 -9.181 -6.744 423 2HA GLY 61 HA1 GLY 61 0.838 -8.647 -8.384 424 H HIS 62 HN HIS 62 1.374 -11.703 -6.776 425 HA HIS 62 HA HIS 62 -0.431 -13.012 -8.716 426 1HB HIS 62 HB2 HIS 62 1.171 -14.878 -8.902 427 2HB HIS 62 HB1 HIS 62 1.837 -13.358 -9.483 428 HD2 HIS 62 HD2 HIS 62 2.569 -12.594 -6.111 429 HE1 HIS 62 HE1 HIS 62 5.463 -15.589 -6.898 430 HE2 HIS 62 HE2 HIS 62 4.810 -13.665 -5.411 431 H LYS 63 HN LYS 63 -0.133 -12.407 -5.567 432 HA LYS 63 HA LYS 63 -1.573 -14.837 -4.860 433 1HB LYS 63 HB2 LYS 63 0.739 -13.901 -3.162 434 2HB LYS 63 HB1 LYS 63 -0.210 -15.369 -2.970 435 1HG LYS 63 HG2 LYS 63 0.739 -16.333 -4.934 436 2HG LYS 63 HG1 LYS 63 1.517 -14.812 -5.368 437 1HD LYS 63 HD2 LYS 63 3.325 -15.499 -4.274 438 2HD LYS 63 HD1 LYS 63 2.397 -15.383 -2.779 439 1HE LYS 63 HE2 LYS 63 2.749 -17.799 -4.543 440 2HE LYS 63 HE1 LYS 63 3.342 -17.578 -2.898 441 1HZ LYS 63 HZ1 LYS 63 0.505 -17.242 -3.088 442 2HZ LYS 63 HZ2 LYS 63 1.405 -18.239 -2.064 443 3HZ LYS 63 HZ3 LYS 63 0.999 -18.771 -3.615 444 H ALA 64 HN ALA 64 -3.355 -13.410 -4.774 445 HA ALA 64 HA ALA 64 -3.503 -11.094 -3.197 446 1HB ALA 64 HB1 ALA 64 -5.216 -11.256 -4.729 447 2HB ALA 64 HB2 ALA 64 -6.036 -11.709 -3.235 448 3HB ALA 64 HB3 ALA 64 -5.517 -12.956 -4.370 449 H GLY 65 HN GLY 65 -2.813 -11.246 -1.102 450 1HA GLY 65 HA2 GLY 65 -3.560 -11.498 1.157 451 2HA GLY 65 HA1 GLY 65 -4.459 -12.922 0.666 452 H GLU 66 HN GLU 66 -1.128 -12.326 -0.233 453 HA GLU 66 HA GLU 66 -0.362 -14.714 1.294 454 1HB GLU 66 HB2 GLU 66 0.095 -14.327 -1.267 455 2HB GLU 66 HB1 GLU 66 1.473 -13.412 -0.666 456 1HG GLU 66 HG2 GLU 66 2.288 -15.571 -1.043 457 2HG GLU 66 HG1 GLU 66 2.058 -15.461 0.698 458 H GLU 67 HN GLU 67 1.324 -14.702 2.769 459 HA GLU 67 HA GLU 67 2.256 -12.025 3.569 460 1HB GLU 67 HB2 GLU 67 2.188 -14.530 5.261 461 2HB GLU 67 HB1 GLU 67 2.576 -12.903 5.803 462 1HG GLU 67 HG2 GLU 67 0.393 -12.220 5.776 463 2HG GLU 67 HG1 GLU 67 -0.074 -13.393 4.546 464 H PHE 68 HN PHE 68 4.223 -11.614 2.781 465 HA PHE 68 HA PHE 68 6.293 -13.691 3.075 466 1HB PHE 68 HB2 PHE 68 7.194 -12.963 0.837 467 2HB PHE 68 HB1 PHE 68 5.653 -13.818 0.768 468 HD1 PHE 68 HD1 PHE 68 3.700 -12.769 -0.042 469 HD2 PHE 68 HD2 PHE 68 7.245 -10.515 0.617 470 HE1 PHE 68 HE1 PHE 68 2.685 -10.853 -1.197 471 HE2 PHE 68 HE2 PHE 68 6.239 -8.595 -0.546 472 HZ PHE 68 HZ PHE 68 3.955 -8.763 -1.458 473 H THR 69 HN THR 69 8.518 -12.757 2.802 474 HA THR 69 HA THR 69 8.630 -9.975 3.750 475 HB THR 69 HB THR 69 10.464 -12.202 4.644 476 HG1 THR 69 HG1 THR 69 9.281 -12.189 6.553 477 1HG2 THR 69 1HG2 THR 69 10.369 -9.325 5.171 478 2HG2 THR 69 2HG2 THR 69 11.707 -10.465 5.294 479 3HG2 THR 69 3HG2 THR 69 10.527 -10.343 6.599 480 H ILE 70 HN ILE 70 9.794 -8.668 2.447 481 HA ILE 70 HA ILE 70 12.018 -9.911 0.965 482 HB ILE 70 HB ILE 70 11.523 -8.679 -1.031 483 1HG1 ILE 70 2HG1 ILE 70 10.534 -6.680 0.096 484 2HG1 ILE 70 1HG1 ILE 70 9.613 -7.230 -1.296 485 1HG2 ILE 70 1HG2 ILE 70 8.809 -9.679 -0.643 486 2HG2 ILE 70 2HG2 ILE 70 10.064 -10.807 -0.131 487 3HG2 ILE 70 3HG2 ILE 70 10.058 -10.184 -1.781 488 1HD1 ILE 70 1HD1 ILE 70 8.811 -6.954 1.456 489 2HD1 ILE 70 2HD1 ILE 70 8.471 -8.570 0.836 490 3HD1 ILE 70 3HD1 ILE 70 7.827 -7.153 0.006 491 H ASP 71 HN ASP 71 13.546 -8.260 0.081 492 HA ASP 71 HA ASP 71 14.002 -6.215 2.121 493 1HB ASP 71 HB2 ASP 71 15.740 -7.495 0.012 494 2HB ASP 71 HB1 ASP 71 16.232 -6.012 0.822 495 H VAL 72 HN VAL 72 14.342 -3.995 1.492 496 HA VAL 72 HA VAL 72 13.739 -3.337 -1.286 497 HB VAL 72 HB VAL 72 12.168 -1.489 -0.409 498 1HG1 VAL 72 1HG1 VAL 72 10.234 -2.905 -0.690 499 2HG1 VAL 72 2HG1 VAL 72 11.203 -4.344 -0.362 500 3HG1 VAL 72 3HG1 VAL 72 11.500 -3.397 -1.821 501 1HG2 VAL 72 1HG2 VAL 72 11.103 -1.765 1.632 502 2HG2 VAL 72 2HG2 VAL 72 12.784 -2.138 2.005 503 3HG2 VAL 72 3HG2 VAL 72 11.617 -3.443 1.790 504 H THR 73 HN THR 73 14.876 -1.604 -2.000 505 HA THR 73 HA THR 73 15.847 0.368 -0.126 506 HB THR 73 HB THR 73 17.666 -1.333 -1.850 507 HG1 THR 73 HG1 THR 73 18.055 -0.860 0.880 508 1HG2 THR 73 1HG2 THR 73 18.051 1.368 -0.831 509 2HG2 THR 73 2HG2 THR 73 18.952 0.472 -2.053 510 3HG2 THR 73 3HG2 THR 73 19.312 0.236 -0.344 511 H PHE 74 HN PHE 74 15.470 2.297 -1.062 512 HA PHE 74 HA PHE 74 14.794 2.356 -3.857 513 1HB PHE 74 HB2 PHE 74 14.639 4.367 -1.634 514 2HB PHE 74 HB1 PHE 74 14.259 4.779 -3.305 515 HD1 PHE 74 HD1 PHE 74 13.470 2.027 -0.897 516 HD2 PHE 74 HD2 PHE 74 12.058 4.726 -3.852 517 HE1 PHE 74 HE1 PHE 74 11.199 1.105 -0.647 518 HE2 PHE 74 HE2 PHE 74 9.781 3.826 -3.609 519 HZ PHE 74 HZ PHE 74 9.350 2.012 -2.001 520 HA PRO 75 HA PRO 75 18.888 3.538 -5.138 521 1HB PRO 75 HB2 PRO 75 18.217 4.334 -7.664 522 2HB PRO 75 HB1 PRO 75 18.438 2.648 -7.189 523 1HG PRO 75 HG2 PRO 75 15.911 4.217 -7.501 524 2HG PRO 75 HG1 PRO 75 16.261 2.546 -7.983 525 1HD PRO 75 HD2 PRO 75 14.864 3.139 -5.761 526 2HD PRO 75 HD1 PRO 75 15.945 1.733 -5.848 527 H GLU 76 HN GLU 76 19.784 5.453 -6.540 528 HA GLU 76 HA GLU 76 19.157 7.845 -5.098 529 1HB GLU 76 HB2 GLU 76 21.110 7.246 -7.314 530 2HB GLU 76 HB1 GLU 76 20.946 8.839 -6.585 531 1HG GLU 76 HG2 GLU 76 21.539 6.383 -4.966 532 2HG GLU 76 HG1 GLU 76 22.804 7.359 -5.712 533 H GLU 77 HN GLU 77 17.907 6.438 -7.886 534 HA GLU 77 HA GLU 77 17.303 8.931 -9.230 535 1HB GLU 77 HB2 GLU 77 16.062 7.441 -10.829 536 2HB GLU 77 HB1 GLU 77 17.778 7.097 -10.674 537 1HG GLU 77 HG2 GLU 77 16.609 5.469 -8.777 538 2HG GLU 77 HG1 GLU 77 15.485 5.416 -10.132 539 H TYR 78 HN TYR 78 15.657 6.540 -7.244 540 HA TYR 78 HA TYR 78 13.019 7.475 -7.637 541 1HB TYR 78 HB2 TYR 78 13.987 5.310 -6.441 542 2HB TYR 78 HB1 TYR 78 13.839 6.313 -5.006 543 HD1 TYR 78 HD1 TYR 78 12.134 4.200 -7.317 544 HD2 TYR 78 HD2 TYR 78 11.542 7.305 -4.468 545 HE1 TYR 78 HE1 TYR 78 9.754 3.599 -7.165 546 HE2 TYR 78 HE2 TYR 78 9.162 6.711 -4.303 547 HH TYR 78 HH TYR 78 7.755 4.605 -4.719 548 H HIS 79 HN HIS 79 14.937 7.811 -4.670 549 HA HIS 79 HA HIS 79 14.714 9.317 -2.959 550 1HB HIS 79 HB2 HIS 79 15.589 10.826 -5.392 551 2HB HIS 79 HB1 HIS 79 15.465 11.628 -3.828 552 HD2 HIS 79 HD2 HIS 79 16.702 8.055 -3.415 553 HE1 HIS 79 HE1 HIS 79 20.147 10.538 -3.477 554 HE2 HIS 79 HE2 HIS 79 19.258 8.221 -3.042 555 H ALA 80 HN ALA 80 12.305 8.946 -2.860 556 HA ALA 80 HA ALA 80 10.664 11.126 -3.845 557 1HB ALA 80 HB1 ALA 80 9.828 8.870 -2.032 558 2HB ALA 80 HB2 ALA 80 9.885 8.740 -3.790 559 3HB ALA 80 HB3 ALA 80 8.795 9.897 -3.027 560 H GLU 81 HN GLU 81 9.553 12.603 -2.536 561 HA GLU 81 HA GLU 81 10.960 13.679 -0.388 562 1HB GLU 81 HB2 GLU 81 8.439 14.183 -1.751 563 2HB GLU 81 HB1 GLU 81 8.350 14.561 -0.035 564 1HG GLU 81 HG2 GLU 81 10.501 15.880 -0.390 565 2HG GLU 81 HG1 GLU 81 10.166 15.726 -2.114 566 H ASN 82 HN ASN 82 8.905 10.957 -0.387 567 HA ASN 82 HA ASN 82 8.258 11.239 2.444 568 1HB ASN 82 HB2 ASN 82 7.408 8.713 1.339 569 2HB ASN 82 HB1 ASN 82 6.438 10.020 2.007 570 1HD2 ASN 82 1HD2 ASN 82 8.118 8.974 -0.916 571 2HD2 ASN 82 2HD2 ASN 82 7.028 9.728 -2.025 572 H LEU 83 HN LEU 83 9.913 8.897 0.329 573 HA LEU 83 HA LEU 83 11.461 8.054 2.671 574 1HB LEU 83 HB2 LEU 83 11.164 5.758 2.272 575 2HB LEU 83 HB1 LEU 83 9.574 6.481 2.236 576 HG LEU 83 HG LEU 83 9.429 4.992 0.504 577 1HD1 LEU 83 1HD1 LEU 83 8.764 6.417 -1.031 578 2HD1 LEU 83 2HD1 LEU 83 10.425 6.569 -1.599 579 3HD1 LEU 83 3HD1 LEU 83 9.806 7.669 -0.379 580 1HD2 LEU 83 1HD2 LEU 83 11.123 4.165 -0.796 581 2HD2 LEU 83 2HD2 LEU 83 11.919 4.461 0.738 582 3HD2 LEU 83 3HD2 LEU 83 12.131 5.587 -0.602 583 H LYS 84 HN LYS 84 12.104 9.747 0.336 584 HA LYS 84 HA LYS 84 13.552 8.729 -1.671 585 1HB LYS 84 HB2 LYS 84 15.164 10.640 -1.397 586 2HB LYS 84 HB1 LYS 84 13.468 11.084 -1.438 587 1HG LYS 84 HG2 LYS 84 13.451 11.780 0.719 588 2HG LYS 84 HG1 LYS 84 14.673 10.609 1.222 589 1HD LYS 84 HD2 LYS 84 15.549 12.888 1.313 590 2HD LYS 84 HD1 LYS 84 16.402 11.927 0.102 591 1HE LYS 84 HE2 LYS 84 15.886 13.417 -1.460 592 2HE LYS 84 HE1 LYS 84 14.170 13.161 -1.154 593 1HZ LYS 84 HZ1 LYS 84 15.534 15.473 -0.734 594 2HZ LYS 84 HZ2 LYS 84 15.414 14.824 0.822 595 3HZ LYS 84 HZ3 LYS 84 14.016 15.094 -0.091 596 H GLY 85 HN GLY 85 15.136 7.369 -1.993 597 1HA GLY 85 HA2 GLY 85 16.843 5.890 -1.591 598 2HA GLY 85 HA1 GLY 85 17.599 7.258 -0.794 599 H LYS 86 HN LYS 86 14.878 5.086 0.005 600 HA LYS 86 HA LYS 86 16.001 4.849 2.698 601 1HB LYS 86 HB2 LYS 86 13.403 5.227 1.820 602 2HB LYS 86 HB1 LYS 86 13.438 3.542 2.316 603 1HG LYS 86 HG2 LYS 86 13.025 4.339 4.355 604 2HG LYS 86 HG1 LYS 86 14.736 4.763 4.379 605 1HD LYS 86 HD2 LYS 86 12.489 6.573 3.494 606 2HD LYS 86 HD1 LYS 86 13.314 6.649 5.051 607 1HE LYS 86 HE2 LYS 86 15.094 6.713 2.720 608 2HE LYS 86 HE1 LYS 86 14.000 8.089 2.840 609 1HZ LYS 86 HZ1 LYS 86 15.905 7.165 4.922 610 2HZ LYS 86 HZ2 LYS 86 14.792 8.423 5.128 611 3HZ LYS 86 HZ3 LYS 86 16.034 8.570 3.989 612 H ALA 87 HN ALA 87 17.611 3.319 2.443 613 HA ALA 87 HA ALA 87 17.068 0.766 1.206 614 1HB ALA 87 HB1 ALA 87 19.339 0.181 2.156 615 2HB ALA 87 HB2 ALA 87 19.415 1.829 2.775 616 3HB ALA 87 HB3 ALA 87 19.317 1.546 1.039 617 H ALA 88 HN ALA 88 15.513 -0.398 2.297 618 HA ALA 88 HA ALA 88 16.084 -0.985 5.118 619 1HB ALA 88 HB1 ALA 88 14.014 -0.354 5.877 620 2HB ALA 88 HB2 ALA 88 13.257 -0.572 4.301 621 3HB ALA 88 HB3 ALA 88 14.276 0.834 4.602 622 H LYS 89 HN LYS 89 14.145 -2.480 5.851 623 HA LYS 89 HA LYS 89 13.958 -4.771 4.008 624 1HB LYS 89 HB2 LYS 89 14.807 -4.669 6.880 625 2HB LYS 89 HB1 LYS 89 13.899 -6.068 6.325 626 1HG LYS 89 HG2 LYS 89 16.083 -6.751 6.060 627 2HG LYS 89 HG1 LYS 89 15.668 -6.176 4.444 628 1HD LYS 89 HD2 LYS 89 17.699 -5.153 4.745 629 2HD LYS 89 HD1 LYS 89 16.618 -3.902 5.364 630 1HE LYS 89 HE2 LYS 89 17.620 -5.956 7.266 631 2HE LYS 89 HE1 LYS 89 18.749 -4.718 6.716 632 1HZ LYS 89 HZ1 LYS 89 17.845 -3.297 8.129 633 2HZ LYS 89 HZ2 LYS 89 16.802 -4.502 8.695 634 3HZ LYS 89 HZ3 LYS 89 16.318 -3.495 7.428 635 H PHE 90 HN PHE 90 11.900 -5.754 3.963 636 HA PHE 90 HA PHE 90 9.892 -4.712 5.843 637 1HB PHE 90 HB2 PHE 90 9.502 -4.874 2.850 638 2HB PHE 90 HB1 PHE 90 8.220 -4.585 4.016 639 HD1 PHE 90 HD1 PHE 90 8.288 -2.839 1.939 640 HD2 PHE 90 HD2 PHE 90 10.739 -2.774 5.391 641 HE1 PHE 90 HE1 PHE 90 8.573 -0.395 1.690 642 HE2 PHE 90 HE2 PHE 90 11.046 -0.347 5.157 643 HZ PHE 90 HZ PHE 90 9.957 0.849 3.298 644 H ALA 91 HN ALA 91 8.058 -6.068 6.161 645 HA ALA 91 HA ALA 91 8.228 -8.733 4.951 646 1HB ALA 91 HB1 ALA 91 7.456 -7.992 7.787 647 2HB ALA 91 HB2 ALA 91 8.861 -8.941 7.297 648 3HB ALA 91 HB3 ALA 91 7.237 -9.593 7.078 649 H ILE 92 HN ILE 92 6.716 -8.525 3.466 650 HA ILE 92 HA ILE 92 4.319 -6.971 4.034 651 HB ILE 92 HB ILE 92 5.295 -8.019 1.399 652 1HG1 ILE 92 2HG1 ILE 92 6.013 -5.514 2.891 653 2HG1 ILE 92 1HG1 ILE 92 7.069 -6.680 2.140 654 1HG2 ILE 92 1HG2 ILE 92 3.046 -7.438 1.212 655 2HG2 ILE 92 2HG2 ILE 92 3.942 -6.072 0.554 656 3HG2 ILE 92 3HG2 ILE 92 3.253 -5.973 2.173 657 1HD1 ILE 92 1HD1 ILE 92 5.537 -5.677 0.060 658 2HD1 ILE 92 2HD1 ILE 92 7.217 -5.289 0.434 659 3HD1 ILE 92 3HD1 ILE 92 5.916 -4.281 1.067 660 H ASN 93 HN ASN 93 2.318 -7.528 3.092 661 HA ASN 93 HA ASN 93 1.786 -10.366 2.672 662 1HB ASN 93 HB2 ASN 93 1.172 -9.979 4.990 663 2HB ASN 93 HB1 ASN 93 0.244 -8.555 4.539 664 1HD2 ASN 93 1HD2 ASN 93 -1.382 -9.798 5.805 665 2HD2 ASN 93 2HD2 ASN 93 -2.376 -10.916 4.940 666 H LEU 94 HN LEU 94 1.244 -10.270 0.549 667 HA LEU 94 HA LEU 94 0.049 -8.049 -0.703 668 1HB LEU 94 HB2 LEU 94 1.436 -9.785 -1.818 669 2HB LEU 94 HB1 LEU 94 0.087 -10.895 -1.680 670 HG LEU 94 HG LEU 94 -1.248 -9.215 -3.061 671 1HD1 LEU 94 1HD1 LEU 94 0.643 -8.011 -4.576 672 2HD1 LEU 94 2HD1 LEU 94 1.385 -7.912 -2.980 673 3HD1 LEU 94 3HD1 LEU 94 -0.217 -7.226 -3.254 674 1HD2 LEU 94 1HD2 LEU 94 0.867 -11.059 -3.906 675 2HD2 LEU 94 2HD2 LEU 94 0.359 -9.899 -5.130 676 3HD2 LEU 94 3HD2 LEU 94 -0.827 -10.969 -4.388 677 H LYS 95 HN LYS 95 -2.034 -7.978 -1.829 678 HA LYS 95 HA LYS 95 -4.093 -9.755 -0.859 679 1HB LYS 95 HB2 LYS 95 -3.927 -6.882 -0.030 680 2HB LYS 95 HB1 LYS 95 -5.495 -7.649 -0.222 681 1HG LYS 95 HG2 LYS 95 -4.173 -9.477 1.300 682 2HG LYS 95 HG1 LYS 95 -3.498 -7.955 1.885 683 1HD LYS 95 HD2 LYS 95 -5.561 -7.164 2.596 684 2HD LYS 95 HD1 LYS 95 -6.454 -8.260 1.541 685 1HE LYS 95 HE2 LYS 95 -6.065 -10.102 2.938 686 2HE LYS 95 HE1 LYS 95 -4.761 -9.281 3.799 687 1HZ LYS 95 HZ1 LYS 95 -6.731 -9.359 5.158 688 2HZ LYS 95 HZ2 LYS 95 -7.653 -8.619 3.949 689 3HZ LYS 95 HZ3 LYS 95 -6.423 -7.754 4.721 690 H LYS 96 HN LYS 96 -5.229 -6.671 -1.819 691 HA LYS 96 HA LYS 96 -6.443 -7.786 -4.123 692 1HB LYS 96 HB2 LYS 96 -6.336 -5.035 -2.950 693 2HB LYS 96 HB1 LYS 96 -7.041 -5.293 -4.538 694 1HG LYS 96 HG2 LYS 96 -8.795 -6.543 -3.704 695 2HG LYS 96 HG1 LYS 96 -7.933 -6.946 -2.218 696 1HD LYS 96 HD2 LYS 96 -9.416 -5.372 -1.442 697 2HD LYS 96 HD1 LYS 96 -8.030 -4.351 -1.834 698 1HE LYS 96 HE2 LYS 96 -10.196 -4.882 -3.838 699 2HE LYS 96 HE1 LYS 96 -10.359 -3.607 -2.632 700 1HZ LYS 96 HZ1 LYS 96 -9.442 -2.536 -4.453 701 2HZ LYS 96 HZ2 LYS 96 -8.409 -3.821 -4.835 702 3HZ LYS 96 HZ3 LYS 96 -8.087 -2.849 -3.489 703 H VAL 97 HN VAL 97 -5.190 -8.379 -5.787 704 HA VAL 97 HA VAL 97 -3.347 -6.398 -6.916 705 HB VAL 97 HB VAL 97 -2.097 -8.333 -6.383 706 1HG1 VAL 97 1HG1 VAL 97 -3.216 -10.211 -5.947 707 2HG1 VAL 97 2HG1 VAL 97 -3.150 -10.532 -7.680 708 3HG1 VAL 97 3HG1 VAL 97 -4.562 -9.738 -6.986 709 1HG2 VAL 97 1HG2 VAL 97 -1.074 -8.232 -8.352 710 2HG2 VAL 97 2HG2 VAL 97 -2.553 -7.668 -9.125 711 3HG2 VAL 97 3HG2 VAL 97 -2.228 -9.396 -8.999 712 H GLU 98 HN GLU 98 -4.372 -5.321 -8.505 713 HA GLU 98 HA GLU 98 -5.912 -6.893 -10.457 714 1HB GLU 98 HB2 GLU 98 -6.698 -4.174 -9.417 715 2HB GLU 98 HB1 GLU 98 -7.603 -5.160 -10.555 716 1HG GLU 98 HG2 GLU 98 -8.553 -6.356 -8.925 717 2HG GLU 98 HG1 GLU 98 -7.043 -6.515 -8.035 718 H GLU 99 HN GLU 99 -6.470 -5.291 -12.418 719 HA GLU 99 HA GLU 99 -3.878 -4.250 -13.301 720 1HB GLU 99 HB2 GLU 99 -5.353 -6.002 -14.576 721 2HB GLU 99 HB1 GLU 99 -6.215 -4.574 -15.130 722 1HG GLU 99 HG2 GLU 99 -3.392 -4.186 -15.427 723 2HG GLU 99 HG1 GLU 99 -3.880 -5.695 -16.195 724 H ARG 100 HN ARG 100 -3.990 -2.262 -12.202 725 HA ARG 100 HA ARG 100 -6.065 -0.378 -12.503 726 1HB ARG 100 HB2 ARG 100 -4.528 1.215 -11.571 727 2HB ARG 100 HB1 ARG 100 -4.300 -0.327 -10.753 728 1HG ARG 100 HG2 ARG 100 -2.143 -0.270 -11.255 729 2HG ARG 100 HG1 ARG 100 -2.547 -0.280 -12.968 730 1HD ARG 100 HD2 ARG 100 -2.852 2.204 -12.806 731 2HD ARG 100 HD1 ARG 100 -2.169 2.117 -11.184 732 HE ARG 100 HE ARG 100 -0.201 1.013 -12.425 733 1HH1 ARG 100 1HH1 ARG 100 -2.179 3.602 -13.690 734 2HH1 ARG 100 2HH1 ARG 100 -0.938 4.200 -14.736 735 1HH2 ARG 100 1HH2 ARG 100 1.426 1.806 -13.801 736 2HH2 ARG 100 2HH2 ARG 100 1.105 3.184 -14.800 737 H GLU 101 HN GLU 101 -6.127 1.554 -13.726 738 HA GLU 101 HA GLU 101 -4.287 2.228 -15.736 739 1HB GLU 101 HB2 GLU 101 -5.331 0.067 -16.654 740 2HB GLU 101 HB1 GLU 101 -6.790 1.020 -16.890 741 1HG GLU 101 HG2 GLU 101 -5.983 1.581 -18.873 742 2HG GLU 101 HG1 GLU 101 -4.788 2.561 -18.024 743 H LEU 102 HN LEU 102 -4.786 4.175 -14.569 744 HA LEU 102 HA LEU 102 -7.404 5.325 -14.699 745 1HB LEU 102 HB2 LEU 102 -4.703 6.314 -13.848 746 2HB LEU 102 HB1 LEU 102 -6.061 7.416 -13.974 747 HG LEU 102 HG LEU 102 -7.257 6.288 -12.251 748 1HD1 LEU 102 1HD1 LEU 102 -5.242 4.125 -12.678 749 2HD1 LEU 102 2HD1 LEU 102 -6.998 4.016 -12.561 750 3HD1 LEU 102 3HD1 LEU 102 -6.033 4.296 -11.111 751 1HD2 LEU 102 1HD2 LEU 102 -4.364 6.782 -11.679 752 2HD2 LEU 102 2HD2 LEU 102 -5.456 6.238 -10.404 753 3HD2 LEU 102 3HD2 LEU 102 -5.770 7.756 -11.247 754 HA PRO 103 HA PRO 103 -7.141 7.369 -18.598 755 1HB PRO 103 HB2 PRO 103 -8.685 9.541 -18.207 756 2HB PRO 103 HB1 PRO 103 -9.359 7.906 -18.246 757 1HG PRO 103 HG2 PRO 103 -8.704 9.629 -15.889 758 2HG PRO 103 HG1 PRO 103 -10.118 8.597 -16.163 759 1HD PRO 103 HD2 PRO 103 -7.979 7.865 -14.623 760 2HD PRO 103 HD1 PRO 103 -9.025 6.706 -15.469 761 H GLU 104 HN GLU 104 -5.194 8.172 -19.155 762 HA GLU 104 HA GLU 104 -3.847 10.207 -17.684 763 1HB GLU 104 HB2 GLU 104 -3.211 8.377 -19.755 764 2HB GLU 104 HB1 GLU 104 -2.824 9.985 -20.352 765 1HG GLU 104 HG2 GLU 104 -0.893 9.005 -19.304 766 2HG GLU 104 HG1 GLU 104 -1.456 10.381 -18.357 767 H LEU 105 HN LEU 105 -5.294 10.172 -20.943 768 HA LEU 105 HA LEU 105 -5.309 13.102 -20.927 769 1HB LEU 105 HB2 LEU 105 -5.373 11.008 -23.034 770 2HB LEU 105 HB1 LEU 105 -6.190 12.521 -23.379 771 HG LEU 105 HG LEU 105 -3.471 12.847 -22.317 772 1HD1 LEU 105 1HD1 LEU 105 -3.626 11.934 -25.152 773 2HD1 LEU 105 2HD1 LEU 105 -3.498 10.741 -23.859 774 3HD1 LEU 105 3HD1 LEU 105 -2.248 11.969 -24.051 775 1HD2 LEU 105 1HD2 LEU 105 -4.373 13.920 -24.929 776 2HD2 LEU 105 2HD2 LEU 105 -3.478 14.703 -23.626 777 3HD2 LEU 105 3HD2 LEU 105 -5.221 14.476 -23.485 778 H THR 106 HN THR 106 -7.059 13.717 -19.752 779 HA THR 106 HA THR 106 -9.638 12.451 -20.234 780 HB THR 106 HB THR 106 -10.437 13.762 -18.355 781 HG1 THR 106 HG1 THR 106 -8.226 14.928 -17.476 782 1HG2 THR 106 1HG2 THR 106 -9.548 12.344 -16.914 783 2HG2 THR 106 2HG2 THR 106 -7.987 13.158 -17.008 784 3HG2 THR 106 3HG2 THR 106 -8.380 11.871 -18.148 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -11.523 21.323 -11.036 2 2H GLY 1 HT2 GLY 1 -10.090 21.225 -11.929 3 3H GLY 1 HT3 GLY 1 -10.219 22.330 -10.657 4 1HA GLY 1 HA1 GLY 1 -9.696 19.470 -10.595 5 2HA GLY 1 HA2 GLY 1 -9.086 20.742 -9.548 6 H SER 2 HN SER 2 -9.887 20.856 -7.560 7 HA SER 2 HA SER 2 -11.178 20.475 -5.730 8 1HB SER 2 HB2 SER 2 -13.565 20.042 -7.505 9 2HB SER 2 HB1 SER 2 -13.487 20.805 -5.917 10 HG SER 2 HG SER 2 -13.549 22.537 -7.154 11 H HIS 3 HN HIS 3 -9.925 18.233 -7.175 12 HA HIS 3 HA HIS 3 -11.737 16.004 -6.900 13 1HB HIS 3 HB2 HIS 3 -9.725 14.643 -7.475 14 2HB HIS 3 HB1 HIS 3 -10.082 15.898 -8.656 15 HD2 HIS 3 HD2 HIS 3 -7.627 16.671 -9.514 16 HE1 HIS 3 HE1 HIS 3 -5.780 17.071 -5.714 17 HE2 HIS 3 HE2 HIS 3 -5.537 17.438 -8.195 18 H MET 4 HN MET 4 -11.122 14.096 -5.552 19 HA MET 4 HA MET 4 -9.510 14.642 -3.210 20 1HB MET 4 HB2 MET 4 -11.365 14.112 -1.635 21 2HB MET 4 HB1 MET 4 -11.573 15.636 -2.484 22 1HG MET 4 HG2 MET 4 -13.088 14.466 -4.073 23 2HG MET 4 HG1 MET 4 -12.966 13.032 -3.054 24 1HE MET 4 HE1 MET 4 -16.105 13.490 -1.197 25 2HE MET 4 HE2 MET 4 -14.598 12.582 -1.083 26 3HE MET 4 HE3 MET 4 -15.406 12.755 -2.641 27 H GLN 5 HN GLN 5 -11.905 12.434 -4.643 28 HA GLN 5 HA GLN 5 -10.481 10.164 -3.469 29 1HB GLN 5 HB2 GLN 5 -13.224 10.702 -4.182 30 2HB GLN 5 HB1 GLN 5 -12.672 9.226 -4.962 31 1HG GLN 5 HG2 GLN 5 -11.989 8.328 -2.808 32 2HG GLN 5 HG1 GLN 5 -12.506 9.815 -2.016 33 1HE2 GLN 5 1HE2 GLN 5 -13.749 8.144 -0.794 34 2HE2 GLN 5 2HE2 GLN 5 -15.320 7.737 -1.388 35 H ALA 6 HN ALA 6 -9.010 9.115 -4.603 36 HA ALA 6 HA ALA 6 -8.355 9.683 -7.260 37 1HB ALA 6 HB1 ALA 6 -6.953 7.620 -7.122 38 2HB ALA 6 HB2 ALA 6 -7.667 7.308 -5.540 39 3HB ALA 6 HB3 ALA 6 -6.704 8.761 -5.801 40 H THR 7 HN THR 7 -8.487 8.361 -9.148 41 HA THR 7 HA THR 7 -10.922 6.707 -9.206 42 HB THR 7 HB THR 7 -9.600 8.077 -11.551 43 HG1 THR 7 HG1 THR 7 -11.817 8.986 -10.039 44 1HG2 THR 7 1HG2 THR 7 -11.215 7.278 -12.836 45 2HG2 THR 7 2HG2 THR 7 -12.462 7.694 -11.661 46 3HG2 THR 7 3HG2 THR 7 -11.590 6.170 -11.518 47 H TRP 8 HN TRP 8 -10.899 4.712 -10.170 48 HA TRP 8 HA TRP 8 -8.425 3.741 -11.371 49 1HB TRP 8 HB2 TRP 8 -9.748 2.443 -8.982 50 2HB TRP 8 HB1 TRP 8 -8.490 1.686 -9.954 51 HD1 TRP 8 HD1 TRP 8 -8.955 4.833 -7.742 52 HE1 TRP 8 HE1 TRP 8 -6.692 5.369 -6.643 53 HE3 TRP 8 HE3 TRP 8 -6.084 1.244 -9.993 54 HZ2 TRP 8 HZ2 TRP 8 -4.037 4.399 -6.718 55 HZ3 TRP 8 HZ3 TRP 8 -3.703 1.126 -9.429 56 HH2 TRP 8 HH2 TRP 8 -2.693 2.660 -7.825 57 H LYS 9 HN LYS 9 -8.702 1.556 -12.324 58 HA LYS 9 HA LYS 9 -11.436 0.747 -12.920 59 1HB LYS 9 HB2 LYS 9 -11.161 0.814 -15.317 60 2HB LYS 9 HB1 LYS 9 -10.826 2.416 -14.679 61 1HG LYS 9 HG2 LYS 9 -8.994 2.336 -15.949 62 2HG LYS 9 HG1 LYS 9 -8.339 1.284 -14.693 63 1HD LYS 9 HD2 LYS 9 -7.978 0.168 -16.752 64 2HD LYS 9 HD1 LYS 9 -9.328 -0.657 -15.982 65 1HE LYS 9 HE2 LYS 9 -9.808 -0.345 -18.321 66 2HE LYS 9 HE1 LYS 9 -10.888 0.661 -17.358 67 1HZ LYS 9 HZ1 LYS 9 -8.500 2.053 -18.051 68 2HZ LYS 9 HZ2 LYS 9 -10.112 2.482 -18.335 69 3HZ LYS 9 HZ3 LYS 9 -9.297 1.487 -19.433 70 H GLU 10 HN GLU 10 -9.056 -0.292 -11.491 71 HA GLU 10 HA GLU 10 -7.781 -2.270 -12.989 72 1HB GLU 10 HB2 GLU 10 -7.006 -3.137 -10.884 73 2HB GLU 10 HB1 GLU 10 -6.949 -1.385 -10.855 74 1HG GLU 10 HG2 GLU 10 -9.392 -2.678 -9.790 75 2HG GLU 10 HG1 GLU 10 -7.915 -2.812 -8.839 76 H LYS 11 HN LYS 11 -8.180 -4.345 -13.450 77 HA LYS 11 HA LYS 11 -10.858 -5.292 -13.345 78 1HB LYS 11 HB2 LYS 11 -9.978 -7.315 -14.395 79 2HB LYS 11 HB1 LYS 11 -9.307 -5.886 -15.166 80 1HG LYS 11 HG2 LYS 11 -7.204 -6.345 -14.496 81 2HG LYS 11 HG1 LYS 11 -7.725 -7.042 -12.961 82 1HD LYS 11 HD2 LYS 11 -7.077 -8.966 -13.961 83 2HD LYS 11 HD1 LYS 11 -8.701 -8.889 -14.645 84 1HE LYS 11 HE2 LYS 11 -7.159 -7.348 -16.364 85 2HE LYS 11 HE1 LYS 11 -6.120 -8.712 -15.954 86 1HZ LYS 11 HZ1 LYS 11 -8.556 -8.653 -17.515 87 2HZ LYS 11 HZ2 LYS 11 -8.443 -9.946 -16.432 88 3HZ LYS 11 HZ3 LYS 11 -7.241 -9.713 -17.600 89 H ASP 12 HN ASP 12 -10.161 -8.125 -12.755 90 HA ASP 12 HA ASP 12 -9.707 -7.939 -9.862 91 1HB ASP 12 HB2 ASP 12 -11.881 -9.567 -11.192 92 2HB ASP 12 HB1 ASP 12 -11.512 -9.564 -9.470 93 H GLY 13 HN GLY 13 -8.129 -8.873 -12.291 94 1HA GLY 13 HA2 GLY 13 -7.771 -11.699 -11.586 95 2HA GLY 13 HA1 GLY 13 -7.174 -10.920 -13.042 96 H ALA 14 HN ALA 14 -5.164 -12.025 -12.489 97 HA ALA 14 HA ALA 14 -3.707 -11.373 -10.142 98 1HB ALA 14 HB1 ALA 14 -3.408 -13.411 -11.608 99 2HB ALA 14 HB2 ALA 14 -1.931 -12.615 -11.065 100 3HB ALA 14 HB3 ALA 14 -2.512 -12.367 -12.712 101 H VAL 15 HN VAL 15 -1.188 -10.761 -10.920 102 HA VAL 15 HA VAL 15 -1.296 -7.923 -11.288 103 HB VAL 15 HB VAL 15 0.482 -8.947 -9.949 104 1HG1 VAL 15 1HG1 VAL 15 0.701 -10.734 -12.062 105 2HG1 VAL 15 2HG1 VAL 15 1.745 -10.640 -10.644 106 3HG1 VAL 15 3HG1 VAL 15 2.188 -9.788 -12.122 107 1HG2 VAL 15 1HG2 VAL 15 2.165 -7.805 -12.025 108 2HG2 VAL 15 2HG2 VAL 15 1.825 -7.227 -10.396 109 3HG2 VAL 15 3HG2 VAL 15 0.720 -6.844 -11.712 110 H GLU 16 HN GLU 16 -0.526 -6.693 -13.085 111 HA GLU 16 HA GLU 16 0.017 -8.192 -15.522 112 1HB GLU 16 HB2 GLU 16 -2.305 -6.452 -15.034 113 2HB GLU 16 HB1 GLU 16 -1.431 -6.103 -16.518 114 1HG GLU 16 HG2 GLU 16 -1.787 -8.925 -16.264 115 2HG GLU 16 HG1 GLU 16 -3.336 -8.114 -16.046 116 H ALA 17 HN ALA 17 0.899 -6.789 -17.210 117 HA ALA 17 HA ALA 17 3.247 -5.763 -16.936 118 1HB ALA 17 HB1 ALA 17 1.377 -3.882 -18.332 119 2HB ALA 17 HB2 ALA 17 1.717 -5.488 -18.976 120 3HB ALA 17 HB3 ALA 17 3.029 -4.328 -18.758 121 H GLU 18 HN GLU 18 0.804 -3.149 -16.675 122 HA GLU 18 HA GLU 18 2.457 -2.042 -14.494 123 1HB GLU 18 HB2 GLU 18 1.580 0.199 -15.243 124 2HB GLU 18 HB1 GLU 18 2.678 -0.598 -16.359 125 1HG GLU 18 HG2 GLU 18 -0.075 -1.295 -16.893 126 2HG GLU 18 HG1 GLU 18 0.182 0.449 -16.935 127 H ASP 19 HN ASP 19 1.006 -3.462 -13.165 128 HA ASP 19 HA ASP 19 -1.682 -2.385 -12.751 129 1HB ASP 19 HB2 ASP 19 -0.260 -4.911 -11.987 130 2HB ASP 19 HB1 ASP 19 -1.743 -4.443 -11.168 131 H ARG 20 HN ARG 20 -2.319 -2.823 -10.259 132 HA ARG 20 HA ARG 20 -0.303 -1.667 -8.489 133 1HB ARG 20 HB2 ARG 20 -2.934 -0.469 -9.203 134 2HB ARG 20 HB1 ARG 20 -2.370 -0.302 -7.547 135 1HG ARG 20 HG2 ARG 20 -0.391 0.367 -9.614 136 2HG ARG 20 HG1 ARG 20 -1.797 1.429 -9.536 137 1HD ARG 20 HD2 ARG 20 -1.264 1.307 -6.942 138 2HD ARG 20 HD1 ARG 20 0.355 0.975 -7.545 139 HE ARG 20 HE ARG 20 -0.842 3.246 -8.800 140 1HH1 ARG 20 1HH1 ARG 20 0.897 2.173 -5.971 141 2HH1 ARG 20 2HH1 ARG 20 1.526 3.745 -5.609 142 1HH2 ARG 20 1HH2 ARG 20 -0.014 5.311 -8.328 143 2HH2 ARG 20 2HH2 ARG 20 1.008 5.528 -6.945 144 H VAL 21 HN VAL 21 -0.112 -3.095 -6.877 145 HA VAL 21 HA VAL 21 -2.380 -4.758 -6.088 146 HB VAL 21 HB VAL 21 -0.713 -5.994 -4.738 147 1HG1 VAL 21 1HG1 VAL 21 0.300 -7.140 -6.526 148 2HG1 VAL 21 2HG1 VAL 21 0.358 -5.686 -7.528 149 3HG1 VAL 21 3HG1 VAL 21 -1.188 -6.464 -7.197 150 1HG2 VAL 21 1HG2 VAL 21 0.865 -3.645 -5.296 151 2HG2 VAL 21 2HG2 VAL 21 1.720 -5.114 -5.769 152 3HG2 VAL 21 3HG2 VAL 21 1.132 -4.928 -4.117 153 H THR 22 HN THR 22 -2.724 -5.155 -3.733 154 HA THR 22 HA THR 22 -2.233 -2.709 -2.153 155 HB THR 22 HB THR 22 -4.543 -4.658 -1.943 156 HG1 THR 22 HG1 THR 22 -5.762 -3.021 -2.746 157 1HG2 THR 22 1HG2 THR 22 -5.062 -2.292 -0.520 158 2HG2 THR 22 2HG2 THR 22 -3.476 -2.868 0.004 159 3HG2 THR 22 3HG2 THR 22 -4.883 -3.929 0.111 160 H ILE 23 HN ILE 23 -0.655 -3.103 -0.716 161 HA ILE 23 HA ILE 23 -0.609 -5.765 0.553 162 HB ILE 23 HB ILE 23 1.897 -5.444 0.680 163 1HG1 ILE 23 2HG1 ILE 23 1.596 -3.614 -1.664 164 2HG1 ILE 23 1HG1 ILE 23 1.561 -2.951 -0.036 165 1HG2 ILE 23 1HG2 ILE 23 2.261 -6.228 -1.637 166 2HG2 ILE 23 2HG2 ILE 23 0.592 -5.791 -2.008 167 3HG2 ILE 23 3HG2 ILE 23 0.932 -7.047 -0.823 168 1HD1 ILE 23 1HD1 ILE 23 3.792 -3.076 -1.352 169 2HD1 ILE 23 2HD1 ILE 23 3.777 -4.760 -0.833 170 3HD1 ILE 23 3HD1 ILE 23 3.760 -3.472 0.367 171 H ASP 24 HN ASP 24 0.195 -5.922 2.643 172 HA ASP 24 HA ASP 24 0.424 -3.412 4.190 173 1HB ASP 24 HB2 ASP 24 -0.563 -4.669 6.114 174 2HB ASP 24 HB1 ASP 24 -1.691 -4.488 4.777 175 H PHE 25 HN PHE 25 2.449 -3.276 5.144 176 HA PHE 25 HA PHE 25 3.782 -5.791 5.854 177 1HB PHE 25 HB2 PHE 25 5.817 -5.218 4.724 178 2HB PHE 25 HB1 PHE 25 4.491 -5.117 3.568 179 HD1 PHE 25 HD1 PHE 25 4.186 -3.203 2.297 180 HD2 PHE 25 HD2 PHE 25 6.595 -3.025 5.805 181 HE1 PHE 25 HE1 PHE 25 4.812 -0.892 1.759 182 HE2 PHE 25 HE2 PHE 25 7.218 -0.702 5.259 183 HZ PHE 25 HZ PHE 25 6.315 0.360 3.231 184 H THR 26 HN THR 26 5.894 -5.409 6.973 185 HA THR 26 HA THR 26 6.103 -2.930 8.468 186 HB THR 26 HB THR 26 5.787 -5.542 9.949 187 HG1 THR 26 HG1 THR 26 3.757 -4.185 10.582 188 1HG2 THR 26 1HG2 THR 26 5.465 -2.805 11.103 189 2HG2 THR 26 2HG2 THR 26 7.055 -3.559 10.979 190 3HG2 THR 26 3HG2 THR 26 5.782 -4.334 11.921 191 H GLY 27 HN GLY 27 8.215 -2.429 8.398 192 1HA GLY 27 HA2 GLY 27 10.195 -4.418 9.125 193 2HA GLY 27 HA1 GLY 27 10.281 -3.888 7.461 194 H SER 28 HN SER 28 12.451 -3.540 8.921 195 HA SER 28 HA SER 28 12.445 -0.710 9.757 196 1HB SER 28 HB2 SER 28 14.879 -1.915 10.536 197 2HB SER 28 HB1 SER 28 13.532 -1.465 11.574 198 HG SER 28 HG SER 28 14.009 -3.960 10.334 199 H VAL 29 HN VAL 29 14.622 0.373 9.446 200 HA VAL 29 HA VAL 29 15.637 -0.245 6.769 201 HB VAL 29 HB VAL 29 14.585 1.845 6.568 202 1HG1 VAL 29 1HG1 VAL 29 14.368 3.457 8.120 203 2HG1 VAL 29 2HG1 VAL 29 16.024 3.287 8.693 204 3HG1 VAL 29 3HG1 VAL 29 14.785 2.155 9.230 205 1HG2 VAL 29 1HG2 VAL 29 16.289 2.646 5.411 206 2HG2 VAL 29 2HG2 VAL 29 17.414 1.678 6.360 207 3HG2 VAL 29 3HG2 VAL 29 16.989 3.305 6.888 208 H ASP 30 HN ASP 30 16.896 1.728 9.476 209 HA ASP 30 HA ASP 30 19.501 0.485 9.038 210 1HB ASP 30 HB2 ASP 30 19.092 3.042 9.246 211 2HB ASP 30 HB1 ASP 30 18.971 2.725 10.973 212 H GLY 31 HN GLY 31 17.492 -1.118 10.181 213 1HA GLY 31 HA2 GLY 31 17.763 -2.789 11.837 214 2HA GLY 31 HA1 GLY 31 18.734 -1.663 12.777 215 H GLU 32 HN GLU 32 16.445 0.333 11.978 216 HA GLU 32 HA GLU 32 14.448 -0.581 13.920 217 1HB GLU 32 HB2 GLU 32 15.699 2.175 13.890 218 2HB GLU 32 HB1 GLU 32 14.395 1.649 14.948 219 1HG GLU 32 HG2 GLU 32 15.783 0.302 16.212 220 2HG GLU 32 HG1 GLU 32 16.996 0.186 14.940 221 H GLU 33 HN GLU 33 12.464 -0.406 13.139 222 HA GLU 33 HA GLU 33 11.888 0.486 10.590 223 1HB GLU 33 HB2 GLU 33 9.520 0.245 11.239 224 2HB GLU 33 HB1 GLU 33 10.494 -1.143 11.692 225 1HG GLU 33 HG2 GLU 33 10.589 0.485 13.919 226 2HG GLU 33 HG1 GLU 33 8.933 0.652 13.335 227 H PHE 34 HN PHE 34 11.691 2.396 9.760 228 HA PHE 34 HA PHE 34 11.639 4.746 11.384 229 1HB PHE 34 HB2 PHE 34 12.001 5.901 9.248 230 2HB PHE 34 HB1 PHE 34 13.141 4.587 9.480 231 HD1 PHE 34 HD1 PHE 34 12.517 2.313 8.334 232 HD2 PHE 34 HD2 PHE 34 10.855 6.077 7.236 233 HE1 PHE 34 HE1 PHE 34 11.906 1.400 6.138 234 HE2 PHE 34 HE2 PHE 34 10.240 5.164 5.039 235 HZ PHE 34 HZ PHE 34 10.764 2.824 4.488 236 H GLU 35 HN GLU 35 10.226 5.946 8.909 237 HA GLU 35 HA GLU 35 7.686 6.299 10.136 238 1HB GLU 35 HB2 GLU 35 8.823 7.108 7.462 239 2HB GLU 35 HB1 GLU 35 7.168 7.471 7.927 240 1HG GLU 35 HG2 GLU 35 9.639 8.378 9.383 241 2HG GLU 35 HG1 GLU 35 8.662 9.362 8.295 242 H GLY 36 HN GLY 36 8.677 4.864 7.036 243 1HA GLY 36 HA2 GLY 36 6.111 3.625 6.637 244 2HA GLY 36 HA1 GLY 36 7.519 3.465 5.602 245 H GLY 37 HN GLY 37 8.259 2.810 8.847 246 1HA GLY 37 HA2 GLY 37 9.009 0.183 8.387 247 2HA GLY 37 HA1 GLY 37 8.722 0.885 9.968 248 H LYS 38 HN LYS 38 5.851 1.353 8.634 249 HA LYS 38 HA LYS 38 4.836 -1.351 8.736 250 1HB LYS 38 HB2 LYS 38 3.086 -0.669 10.445 251 2HB LYS 38 HB1 LYS 38 4.708 -0.951 11.054 252 1HG LYS 38 HG2 LYS 38 4.035 1.818 10.282 253 2HG LYS 38 HG1 LYS 38 3.255 1.172 11.726 254 1HD LYS 38 HD2 LYS 38 6.224 1.270 11.199 255 2HD LYS 38 HD1 LYS 38 5.329 2.319 12.301 256 1HE LYS 38 HE2 LYS 38 4.608 0.193 13.493 257 2HE LYS 38 HE1 LYS 38 5.831 -0.639 12.534 258 1HZ LYS 38 HZ1 LYS 38 7.133 1.524 13.590 259 2HZ LYS 38 HZ2 LYS 38 7.250 -0.074 14.128 260 3HZ LYS 38 HZ3 LYS 38 6.151 0.983 14.859 261 H ALA 39 HN ALA 39 3.398 -1.546 7.212 262 HA ALA 39 HA ALA 39 1.659 0.716 6.531 263 1HB ALA 39 HB1 ALA 39 1.971 -0.374 4.095 264 2HB ALA 39 HB2 ALA 39 3.573 -0.688 4.768 265 3HB ALA 39 HB3 ALA 39 2.956 0.964 4.692 266 H SER 40 HN SER 40 -0.406 0.153 5.853 267 HA SER 40 HA SER 40 -1.069 -2.701 6.172 268 1HB SER 40 HB2 SER 40 -2.391 -0.225 7.136 269 2HB SER 40 HB1 SER 40 -3.455 -1.514 6.573 270 HG SER 40 HG SER 40 -1.731 -1.448 8.764 271 H ASP 41 HN ASP 41 -2.359 0.239 4.576 272 HA ASP 41 HA ASP 41 -3.243 -1.431 2.362 273 1HB ASP 41 HB2 ASP 41 -4.050 1.413 3.028 274 2HB ASP 41 HB1 ASP 41 -4.746 0.387 1.778 275 H PHE 42 HN PHE 42 -0.857 -1.445 1.842 276 HA PHE 42 HA PHE 42 0.101 1.101 0.780 277 1HB PHE 42 HB2 PHE 42 1.602 -0.415 2.154 278 2HB PHE 42 HB1 PHE 42 1.590 -1.526 0.793 279 HD1 PHE 42 HD1 PHE 42 3.761 -1.482 -0.052 280 HD2 PHE 42 HD2 PHE 42 1.787 2.186 0.820 281 HE1 PHE 42 HE1 PHE 42 5.614 -0.248 -1.082 282 HE2 PHE 42 HE2 PHE 42 3.647 3.429 -0.205 283 HZ PHE 42 HZ PHE 42 5.564 2.211 -1.157 284 H VAL 43 HN VAL 43 -0.766 1.565 -1.137 285 HA VAL 43 HA VAL 43 -1.430 -0.473 -3.037 286 HB VAL 43 HB VAL 43 -2.784 1.572 -2.732 287 1HG1 VAL 43 1HG1 VAL 43 -0.397 2.913 -2.771 288 2HG1 VAL 43 2HG1 VAL 43 -1.993 3.652 -2.902 289 3HG1 VAL 43 3HG1 VAL 43 -1.072 3.280 -4.359 290 1HG2 VAL 43 1HG2 VAL 43 -1.945 0.373 -5.180 291 2HG2 VAL 43 2HG2 VAL 43 -2.248 2.089 -5.460 292 3HG2 VAL 43 3HG2 VAL 43 -3.513 1.072 -4.770 293 H LEU 44 HN LEU 44 0.364 -1.467 -3.808 294 HA LEU 44 HA LEU 44 2.613 0.118 -4.724 295 1HB LEU 44 HB2 LEU 44 2.311 -2.460 -3.678 296 2HB LEU 44 HB1 LEU 44 2.787 -2.694 -5.350 297 HG LEU 44 HG LEU 44 4.292 -1.228 -3.195 298 1HD1 LEU 44 1HD1 LEU 44 4.611 -3.772 -4.698 299 2HD1 LEU 44 2HD1 LEU 44 4.898 -3.420 -2.993 300 3HD1 LEU 44 3HD1 LEU 44 6.050 -2.884 -4.211 301 1HD2 LEU 44 1HD2 LEU 44 4.614 -1.149 -6.175 302 2HD2 LEU 44 2HD2 LEU 44 6.003 -0.950 -5.105 303 3HD2 LEU 44 3HD2 LEU 44 4.650 0.179 -5.014 304 H ALA 45 HN ALA 45 3.177 0.452 -6.792 305 HA ALA 45 HA ALA 45 1.241 -0.367 -8.841 306 1HB ALA 45 HB1 ALA 45 1.938 1.480 -10.126 307 2HB ALA 45 HB2 ALA 45 3.403 1.696 -9.167 308 3HB ALA 45 HB3 ALA 45 1.829 2.074 -8.468 309 H MET 46 HN MET 46 1.846 -2.292 -9.690 310 HA MET 46 HA MET 46 4.543 -3.137 -9.899 311 1HB MET 46 HB2 MET 46 1.933 -4.257 -10.372 312 2HB MET 46 HB1 MET 46 3.023 -4.671 -11.692 313 1HG MET 46 HG2 MET 46 4.125 -4.973 -8.986 314 2HG MET 46 HG1 MET 46 2.817 -6.073 -9.406 315 1HE MET 46 HE1 MET 46 5.426 -4.723 -12.200 316 2HE MET 46 HE2 MET 46 6.804 -5.684 -11.666 317 3HE MET 46 HE3 MET 46 6.086 -4.494 -10.581 318 H GLY 47 HN GLY 47 5.489 -1.363 -10.979 319 1HA GLY 47 HA2 GLY 47 6.693 -0.998 -13.013 320 2HA GLY 47 HA1 GLY 47 5.329 -1.655 -13.901 321 H GLN 48 HN GLN 48 6.058 1.067 -11.710 322 HA GLN 48 HA GLN 48 4.516 2.797 -13.534 323 1HB GLN 48 HB2 GLN 48 3.696 2.272 -11.048 324 2HB GLN 48 HB1 GLN 48 4.816 3.574 -10.677 325 1HG GLN 48 HG2 GLN 48 3.418 4.623 -12.764 326 2HG GLN 48 HG1 GLN 48 2.190 3.651 -11.955 327 1HE2 GLN 48 1HE2 GLN 48 2.669 3.882 -9.374 328 2HE2 GLN 48 2HE2 GLN 48 2.609 5.527 -8.851 329 H GLY 49 HN GLY 49 6.821 3.139 -10.830 330 1HA GLY 49 HA2 GLY 49 8.200 5.234 -12.361 331 2HA GLY 49 HA1 GLY 49 8.345 4.964 -10.629 332 H ARG 50 HN ARG 50 9.002 2.415 -10.339 333 HA ARG 50 HA ARG 50 10.786 1.235 -12.107 334 1HB ARG 50 HB2 ARG 50 12.960 1.824 -11.179 335 2HB ARG 50 HB1 ARG 50 12.156 3.252 -11.808 336 1HG ARG 50 HG2 ARG 50 12.183 4.258 -9.827 337 2HG ARG 50 HG1 ARG 50 11.554 2.830 -9.009 338 1HD ARG 50 HD2 ARG 50 13.982 3.805 -8.516 339 2HD ARG 50 HD1 ARG 50 13.616 2.083 -8.424 340 HE ARG 50 HE ARG 50 15.153 1.798 -10.070 341 1HH1 ARG 50 1HH1 ARG 50 13.774 4.985 -10.457 342 2HH1 ARG 50 2HH1 ARG 50 14.725 5.359 -11.853 343 1HH2 ARG 50 1HH2 ARG 50 16.403 2.300 -11.906 344 2HH2 ARG 50 2HH2 ARG 50 16.215 3.842 -12.672 345 H MET 51 HN MET 51 9.139 -0.158 -10.849 346 HA MET 51 HA MET 51 9.293 -0.868 -8.227 347 1HB MET 51 HB2 MET 51 7.894 -1.844 -10.240 348 2HB MET 51 HB1 MET 51 9.146 -3.079 -10.232 349 1HG MET 51 HG2 MET 51 7.762 -4.090 -8.787 350 2HG MET 51 HG1 MET 51 8.540 -3.027 -7.618 351 1HE MET 51 HE1 MET 51 5.919 -0.042 -7.570 352 2HE MET 51 HE2 MET 51 7.399 -0.244 -8.508 353 3HE MET 51 HE3 MET 51 7.382 -0.652 -6.792 354 H ILE 52 HN ILE 52 11.016 -1.247 -7.018 355 HA ILE 52 HA ILE 52 13.501 -2.163 -8.048 356 HB ILE 52 HB ILE 52 13.941 -2.587 -5.482 357 1HG1 ILE 52 2HG1 ILE 52 11.608 -0.660 -5.366 358 2HG1 ILE 52 1HG1 ILE 52 11.525 -2.349 -4.872 359 1HG2 ILE 52 1HG2 ILE 52 14.611 -0.270 -5.247 360 2HG2 ILE 52 2HG2 ILE 52 13.583 0.185 -6.606 361 3HG2 ILE 52 3HG2 ILE 52 14.980 -0.860 -6.867 362 1HD1 ILE 52 1HD1 ILE 52 13.115 -1.951 -3.109 363 2HD1 ILE 52 2HD1 ILE 52 11.796 -0.784 -2.991 364 3HD1 ILE 52 3HD1 ILE 52 13.355 -0.290 -3.656 365 HA PRO 53 HA PRO 53 13.257 -6.554 -8.031 366 1HB PRO 53 HB2 PRO 53 15.601 -6.592 -6.196 367 2HB PRO 53 HB1 PRO 53 15.382 -7.391 -7.757 368 1HG PRO 53 HG2 PRO 53 16.931 -5.232 -7.531 369 2HG PRO 53 HG1 PRO 53 15.911 -5.485 -8.960 370 1HD PRO 53 HD2 PRO 53 15.517 -3.636 -6.652 371 2HD PRO 53 HD1 PRO 53 15.113 -3.408 -8.365 372 H GLY 54 HN GLY 54 13.547 -4.815 -5.029 373 1HA GLY 54 HA2 GLY 54 13.002 -6.917 -3.233 374 2HA GLY 54 HA1 GLY 54 12.752 -5.205 -2.928 375 H PHE 55 HN PHE 55 10.785 -4.342 -4.330 376 HA PHE 55 HA PHE 55 8.514 -5.689 -3.294 377 1HB PHE 55 HB2 PHE 55 8.843 -3.323 -5.132 378 2HB PHE 55 HB1 PHE 55 7.262 -3.967 -4.725 379 HD1 PHE 55 HD1 PHE 55 6.691 -4.100 -2.178 380 HD2 PHE 55 HD2 PHE 55 9.820 -1.718 -3.817 381 HE1 PHE 55 HE1 PHE 55 6.664 -2.698 -0.174 382 HE2 PHE 55 HE2 PHE 55 9.793 -0.305 -1.805 383 HZ PHE 55 HZ PHE 55 8.211 -0.792 0.015 384 H GLU 56 HN GLU 56 9.789 -5.174 -6.554 385 HA GLU 56 HA GLU 56 7.833 -6.388 -8.059 386 1HB GLU 56 HB2 GLU 56 9.941 -5.203 -8.848 387 2HB GLU 56 HB1 GLU 56 10.782 -6.727 -8.597 388 1HG GLU 56 HG2 GLU 56 8.505 -7.318 -10.132 389 2HG GLU 56 HG1 GLU 56 9.218 -5.862 -10.825 390 H ASP 57 HN ASP 57 10.077 -7.838 -5.874 391 HA ASP 57 HA ASP 57 9.847 -10.500 -6.919 392 1HB ASP 57 HB2 ASP 57 11.324 -9.155 -4.788 393 2HB ASP 57 HB1 ASP 57 10.752 -10.752 -4.317 394 H GLY 58 HN GLY 58 9.146 -9.522 -3.566 395 1HA GLY 58 HA2 GLY 58 7.269 -11.565 -3.159 396 2HA GLY 58 HA1 GLY 58 7.459 -10.144 -2.144 397 H ILE 59 HN ILE 59 6.685 -8.090 -3.601 398 HA ILE 59 HA ILE 59 3.853 -8.481 -3.871 399 HB ILE 59 HB ILE 59 5.456 -5.966 -4.389 400 1HG1 ILE 59 2HG1 ILE 59 4.775 -5.539 -1.917 401 2HG1 ILE 59 1HG1 ILE 59 4.691 -7.281 -1.802 402 1HG2 ILE 59 1HG2 ILE 59 2.608 -6.636 -4.053 403 2HG2 ILE 59 2HG2 ILE 59 3.377 -5.326 -4.950 404 3HG2 ILE 59 3HG2 ILE 59 3.160 -5.189 -3.206 405 1HD1 ILE 59 1HD1 ILE 59 7.125 -6.343 -3.041 406 2HD1 ILE 59 2HD1 ILE 59 6.903 -7.444 -1.688 407 3HD1 ILE 59 3HD1 ILE 59 6.907 -5.704 -1.419 408 H LYS 60 HN LYS 60 5.325 -9.833 -5.686 409 HA LYS 60 HA LYS 60 5.585 -8.728 -8.262 410 1HB LYS 60 HB2 LYS 60 4.746 -11.075 -9.070 411 2HB LYS 60 HB1 LYS 60 6.287 -10.953 -8.235 412 1HG LYS 60 HG2 LYS 60 4.522 -11.386 -6.174 413 2HG LYS 60 HG1 LYS 60 3.849 -12.355 -7.482 414 1HD LYS 60 HD2 LYS 60 5.542 -13.830 -7.426 415 2HD LYS 60 HD1 LYS 60 6.757 -12.573 -7.194 416 1HE LYS 60 HE2 LYS 60 6.425 -12.532 -4.866 417 2HE LYS 60 HE1 LYS 60 4.903 -13.411 -4.984 418 1HZ LYS 60 HZ1 LYS 60 7.306 -14.750 -5.965 419 2HZ LYS 60 HZ2 LYS 60 5.955 -15.395 -5.178 420 3HZ LYS 60 HZ3 LYS 60 7.143 -14.585 -4.288 421 H GLY 61 HN GLY 61 2.848 -10.268 -6.719 422 1HA GLY 61 HA2 GLY 61 0.658 -9.180 -6.649 423 2HA GLY 61 HA1 GLY 61 0.980 -8.611 -8.285 424 H HIS 62 HN HIS 62 1.574 -11.743 -6.830 425 HA HIS 62 HA HIS 62 -0.318 -12.938 -8.774 426 1HB HIS 62 HB2 HIS 62 1.172 -14.704 -9.238 427 2HB HIS 62 HB1 HIS 62 2.165 -13.253 -9.263 428 HD2 HIS 62 HD2 HIS 62 2.261 -13.419 -5.763 429 HE1 HIS 62 HE1 HIS 62 4.749 -16.709 -6.765 430 HE2 HIS 62 HE2 HIS 62 3.943 -15.195 -4.919 431 H LYS 63 HN LYS 63 -0.157 -12.327 -5.658 432 HA LYS 63 HA LYS 63 -1.582 -14.776 -4.955 433 1HB LYS 63 HB2 LYS 63 0.836 -13.709 -3.519 434 2HB LYS 63 HB1 LYS 63 -0.339 -14.749 -2.729 435 1HG LYS 63 HG2 LYS 63 0.585 -15.812 -5.273 436 2HG LYS 63 HG1 LYS 63 1.880 -15.583 -4.097 437 1HD LYS 63 HD2 LYS 63 -0.038 -16.702 -2.541 438 2HD LYS 63 HD1 LYS 63 -0.373 -17.475 -4.091 439 1HE LYS 63 HE2 LYS 63 2.331 -17.679 -3.974 440 2HE LYS 63 HE1 LYS 63 1.907 -17.793 -2.265 441 1HZ LYS 63 HZ1 LYS 63 1.606 -19.944 -2.752 442 2HZ LYS 63 HZ2 LYS 63 1.439 -19.671 -4.412 443 3HZ LYS 63 HZ3 LYS 63 0.117 -19.446 -3.382 444 H ALA 64 HN ALA 64 -3.432 -13.421 -5.018 445 HA ALA 64 HA ALA 64 -3.752 -11.061 -3.541 446 1HB ALA 64 HB1 ALA 64 -5.996 -11.161 -4.108 447 2HB ALA 64 HB2 ALA 64 -6.029 -12.924 -4.074 448 3HB ALA 64 HB3 ALA 64 -5.227 -12.082 -5.399 449 H GLY 65 HN GLY 65 -3.024 -11.224 -1.415 450 1HA GLY 65 HA2 GLY 65 -3.887 -11.396 0.822 451 2HA GLY 65 HA1 GLY 65 -4.752 -12.842 0.336 452 H GLU 66 HN GLU 66 -1.370 -12.139 -0.349 453 HA GLU 66 HA GLU 66 -0.634 -14.575 1.097 454 1HB GLU 66 HB2 GLU 66 0.016 -14.355 -1.260 455 2HB GLU 66 HB1 GLU 66 0.948 -12.921 -0.875 456 1HG GLU 66 HG2 GLU 66 2.415 -14.797 -1.124 457 2HG GLU 66 HG1 GLU 66 2.404 -14.294 0.560 458 H GLU 67 HN GLU 67 1.515 -14.566 2.194 459 HA GLU 67 HA GLU 67 2.144 -12.001 3.478 460 1HB GLU 67 HB2 GLU 67 1.917 -14.656 4.915 461 2HB GLU 67 HB1 GLU 67 2.390 -13.125 5.641 462 1HG GLU 67 HG2 GLU 67 0.261 -12.309 5.655 463 2HG GLU 67 HG1 GLU 67 -0.236 -13.271 4.263 464 H PHE 68 HN PHE 68 4.145 -11.573 2.732 465 HA PHE 68 HA PHE 68 6.204 -13.648 3.060 466 1HB PHE 68 HB2 PHE 68 7.148 -12.956 0.824 467 2HB PHE 68 HB1 PHE 68 5.628 -13.850 0.751 468 HD1 PHE 68 HD1 PHE 68 3.677 -12.882 -0.128 469 HD2 PHE 68 HD2 PHE 68 7.136 -10.502 0.532 470 HE1 PHE 68 HE1 PHE 68 2.631 -11.035 -1.361 471 HE2 PHE 68 HE2 PHE 68 6.099 -8.644 -0.714 472 HZ PHE 68 HZ PHE 68 3.838 -8.916 -1.668 473 H THR 69 HN THR 69 8.436 -12.708 2.752 474 HA THR 69 HA THR 69 8.523 -9.905 3.626 475 HB THR 69 HB THR 69 10.294 -12.138 4.639 476 HG1 THR 69 HG1 THR 69 8.128 -12.197 5.446 477 1HG2 THR 69 1HG2 THR 69 11.397 -9.948 4.646 478 2HG2 THR 69 2HG2 THR 69 11.101 -10.564 6.270 479 3HG2 THR 69 3HG2 THR 69 10.068 -9.300 5.605 480 H ILE 70 HN ILE 70 9.817 -8.618 2.428 481 HA ILE 70 HA ILE 70 11.986 -9.917 0.919 482 HB ILE 70 HB ILE 70 11.509 -8.685 -1.080 483 1HG1 ILE 70 2HG1 ILE 70 10.583 -6.651 0.026 484 2HG1 ILE 70 1HG1 ILE 70 9.619 -7.199 -1.341 485 1HG2 ILE 70 1HG2 ILE 70 8.776 -9.589 -0.739 486 2HG2 ILE 70 2HG2 ILE 70 9.950 -10.744 -0.110 487 3HG2 ILE 70 3HG2 ILE 70 10.053 -10.206 -1.787 488 1HD1 ILE 70 1HD1 ILE 70 8.919 -6.950 1.472 489 2HD1 ILE 70 2HD1 ILE 70 8.428 -8.484 0.751 490 3HD1 ILE 70 3HD1 ILE 70 7.890 -6.961 0.039 491 H ASP 71 HN ASP 71 13.480 -8.252 -0.039 492 HA ASP 71 HA ASP 71 14.054 -6.261 2.021 493 1HB ASP 71 HB2 ASP 71 15.660 -7.624 -0.109 494 2HB ASP 71 HB1 ASP 71 16.180 -6.038 0.453 495 H VAL 72 HN VAL 72 14.398 -4.039 1.434 496 HA VAL 72 HA VAL 72 13.671 -3.291 -1.284 497 HB VAL 72 HB VAL 72 12.135 -1.464 -0.259 498 1HG1 VAL 72 1HG1 VAL 72 10.181 -2.909 -0.548 499 2HG1 VAL 72 2HG1 VAL 72 11.222 -4.332 -0.478 500 3HG1 VAL 72 3HG1 VAL 72 11.387 -3.184 -1.807 501 1HG2 VAL 72 1HG2 VAL 72 11.170 -3.347 1.724 502 2HG2 VAL 72 2HG2 VAL 72 11.484 -1.618 1.863 503 3HG2 VAL 72 3HG2 VAL 72 12.798 -2.771 2.084 504 H THR 73 HN THR 73 14.822 -1.586 -1.994 505 HA THR 73 HA THR 73 15.812 0.394 -0.141 506 HB THR 73 HB THR 73 17.609 -1.455 -1.713 507 HG1 THR 73 HG1 THR 73 17.035 -1.122 0.886 508 1HG2 THR 73 1HG2 THR 73 19.431 0.172 -0.775 509 2HG2 THR 73 2HG2 THR 73 18.127 1.355 -0.905 510 3HG2 THR 73 3HG2 THR 73 18.663 0.469 -2.333 511 H PHE 74 HN PHE 74 15.423 2.295 -1.103 512 HA PHE 74 HA PHE 74 14.841 2.331 -3.927 513 1HB PHE 74 HB2 PHE 74 14.585 4.370 -1.734 514 2HB PHE 74 HB1 PHE 74 14.224 4.729 -3.422 515 HD1 PHE 74 HD1 PHE 74 13.473 1.934 -1.047 516 HD2 PHE 74 HD2 PHE 74 12.008 4.710 -3.909 517 HE1 PHE 74 HE1 PHE 74 11.208 0.997 -0.792 518 HE2 PHE 74 HE2 PHE 74 9.738 3.790 -3.660 519 HZ PHE 74 HZ PHE 74 9.337 1.935 -2.095 520 HA PRO 75 HA PRO 75 18.926 3.643 -5.069 521 1HB PRO 75 HB2 PRO 75 18.346 4.488 -7.591 522 2HB PRO 75 HB1 PRO 75 18.512 2.785 -7.151 523 1HG PRO 75 HG2 PRO 75 16.029 4.423 -7.482 524 2HG PRO 75 HG1 PRO 75 16.360 2.768 -8.030 525 1HD PRO 75 HD2 PRO 75 14.914 3.288 -5.814 526 2HD PRO 75 HD1 PRO 75 15.970 1.866 -5.940 527 H GLU 76 HN GLU 76 19.960 5.590 -6.141 528 HA GLU 76 HA GLU 76 19.176 7.933 -4.732 529 1HB GLU 76 HB2 GLU 76 21.472 7.019 -6.162 530 2HB GLU 76 HB1 GLU 76 21.023 8.594 -6.795 531 1HG GLU 76 HG2 GLU 76 22.544 9.025 -5.074 532 2HG GLU 76 HG1 GLU 76 20.959 9.389 -4.394 533 H GLU 77 HN GLU 77 18.204 6.617 -7.695 534 HA GLU 77 HA GLU 77 17.573 9.161 -8.931 535 1HB GLU 77 HB2 GLU 77 16.470 7.607 -10.667 536 2HB GLU 77 HB1 GLU 77 18.222 7.608 -10.533 537 1HG GLU 77 HG2 GLU 77 17.187 5.638 -8.762 538 2HG GLU 77 HG1 GLU 77 16.434 5.431 -10.337 539 H TYR 78 HN TYR 78 15.908 6.617 -7.171 540 HA TYR 78 HA TYR 78 13.264 7.413 -7.813 541 1HB TYR 78 HB2 TYR 78 14.097 5.228 -6.682 542 2HB TYR 78 HB1 TYR 78 14.012 6.146 -5.185 543 HD1 TYR 78 HD1 TYR 78 12.234 4.118 -7.447 544 HD2 TYR 78 HD2 TYR 78 11.715 7.308 -4.676 545 HE1 TYR 78 HE1 TYR 78 9.838 3.593 -7.302 546 HE2 TYR 78 HE2 TYR 78 9.318 6.793 -4.529 547 HH TYR 78 HH TYR 78 7.900 4.054 -6.282 548 H HIS 79 HN HIS 79 14.885 7.742 -4.687 549 HA HIS 79 HA HIS 79 14.474 9.169 -2.960 550 1HB HIS 79 HB2 HIS 79 15.361 10.811 -5.291 551 2HB HIS 79 HB1 HIS 79 15.044 11.577 -3.735 552 HD2 HIS 79 HD2 HIS 79 16.600 8.108 -3.347 553 HE1 HIS 79 HE1 HIS 79 19.744 10.936 -2.954 554 HE2 HIS 79 HE2 HIS 79 19.069 8.522 -2.689 555 H ALA 80 HN ALA 80 12.123 8.648 -2.897 556 HA ALA 80 HA ALA 80 10.294 10.597 -3.986 557 1HB ALA 80 HB1 ALA 80 9.144 8.954 -1.917 558 2HB ALA 80 HB2 ALA 80 10.072 7.973 -3.050 559 3HB ALA 80 HB3 ALA 80 8.774 9.008 -3.640 560 H GLU 81 HN GLU 81 9.078 12.086 -2.783 561 HA GLU 81 HA GLU 81 10.407 13.552 -0.861 562 1HB GLU 81 HB2 GLU 81 8.205 13.962 -2.323 563 2HB GLU 81 HB1 GLU 81 7.442 13.599 -0.781 564 1HG GLU 81 HG2 GLU 81 8.492 15.424 0.281 565 2HG GLU 81 HG1 GLU 81 9.599 15.665 -1.071 566 H ASN 82 HN ASN 82 8.352 10.759 -0.388 567 HA ASN 82 HA ASN 82 8.196 11.273 2.476 568 1HB ASN 82 HB2 ASN 82 6.732 9.224 2.473 569 2HB ASN 82 HB1 ASN 82 6.140 10.581 1.522 570 1HD2 ASN 82 1HD2 ASN 82 8.001 7.595 1.241 571 2HD2 ASN 82 2HD2 ASN 82 7.451 7.190 -0.345 572 H LEU 83 HN LEU 83 9.695 8.895 0.302 573 HA LEU 83 HA LEU 83 11.185 7.919 2.640 574 1HB LEU 83 HB2 LEU 83 10.819 5.685 2.190 575 2HB LEU 83 HB1 LEU 83 9.257 6.417 1.924 576 HG LEU 83 HG LEU 83 9.321 5.021 0.129 577 1HD1 LEU 83 1HD1 LEU 83 11.013 6.856 -1.430 578 2HD1 LEU 83 2HD1 LEU 83 9.628 7.581 -0.619 579 3HD1 LEU 83 3HD1 LEU 83 9.387 6.250 -1.742 580 1HD2 LEU 83 1HD2 LEU 83 11.676 4.311 0.848 581 2HD2 LEU 83 2HD2 LEU 83 12.222 5.405 -0.424 582 3HD2 LEU 83 3HD2 LEU 83 11.172 4.056 -0.815 583 H LYS 84 HN LYS 84 11.790 9.646 0.209 584 HA LYS 84 HA LYS 84 13.348 8.704 -1.706 585 1HB LYS 84 HB2 LYS 84 14.965 10.634 -1.272 586 2HB LYS 84 HB1 LYS 84 13.274 11.030 -1.535 587 1HG LYS 84 HG2 LYS 84 12.920 11.419 0.782 588 2HG LYS 84 HG1 LYS 84 14.503 10.755 1.194 589 1HD LYS 84 HD2 LYS 84 15.583 12.589 -0.021 590 2HD LYS 84 HD1 LYS 84 13.998 13.255 -0.422 591 1HE LYS 84 HE2 LYS 84 15.086 14.384 1.497 592 2HE LYS 84 HE1 LYS 84 13.526 13.666 1.899 593 1HZ LYS 84 HZ1 LYS 84 15.999 12.137 2.352 594 2HZ LYS 84 HZ2 LYS 84 14.509 12.016 3.142 595 3HZ LYS 84 HZ3 LYS 84 15.534 13.322 3.466 596 H GLY 85 HN GLY 85 14.967 7.386 -2.018 597 1HA GLY 85 HA2 GLY 85 16.688 5.927 -1.599 598 2HA GLY 85 HA1 GLY 85 17.406 7.303 -0.783 599 H LYS 86 HN LYS 86 14.737 5.036 -0.041 600 HA LYS 86 HA LYS 86 15.814 4.844 2.674 601 1HB LYS 86 HB2 LYS 86 13.275 5.249 1.895 602 2HB LYS 86 HB1 LYS 86 13.270 3.497 2.026 603 1HG LYS 86 HG2 LYS 86 12.546 4.366 4.098 604 2HG LYS 86 HG1 LYS 86 14.184 3.761 4.337 605 1HD LYS 86 HD2 LYS 86 14.120 5.838 5.442 606 2HD LYS 86 HD1 LYS 86 14.954 6.152 3.918 607 1HE LYS 86 HE2 LYS 86 13.269 7.434 3.105 608 2HE LYS 86 HE1 LYS 86 12.017 6.486 3.906 609 1HZ LYS 86 HZ1 LYS 86 12.802 7.539 6.029 610 2HZ LYS 86 HZ2 LYS 86 12.040 8.585 4.941 611 3HZ LYS 86 HZ3 LYS 86 13.724 8.599 5.086 612 H ALA 87 HN ALA 87 17.515 3.394 2.380 613 HA ALA 87 HA ALA 87 17.085 0.812 1.166 614 1HB ALA 87 HB1 ALA 87 19.411 0.817 2.812 615 2HB ALA 87 HB2 ALA 87 19.331 2.359 1.960 616 3HB ALA 87 HB3 ALA 87 19.311 0.849 1.051 617 H ALA 88 HN ALA 88 15.469 -0.273 2.303 618 HA ALA 88 HA ALA 88 16.134 -0.911 5.095 619 1HB ALA 88 HB1 ALA 88 14.312 0.899 4.661 620 2HB ALA 88 HB2 ALA 88 14.067 -0.322 5.909 621 3HB ALA 88 HB3 ALA 88 13.288 -0.498 4.335 622 H LYS 89 HN LYS 89 14.178 -2.413 5.849 623 HA LYS 89 HA LYS 89 13.997 -4.710 4.011 624 1HB LYS 89 HB2 LYS 89 15.283 -4.575 6.586 625 2HB LYS 89 HB1 LYS 89 13.893 -5.647 6.693 626 1HG LYS 89 HG2 LYS 89 14.871 -7.239 5.464 627 2HG LYS 89 HG1 LYS 89 15.557 -6.078 4.326 628 1HD LYS 89 HD2 LYS 89 16.665 -6.341 7.096 629 2HD LYS 89 HD1 LYS 89 17.152 -7.461 5.821 630 1HE LYS 89 HE2 LYS 89 17.317 -4.903 4.691 631 2HE LYS 89 HE1 LYS 89 18.006 -4.754 6.307 632 1HZ LYS 89 HZ1 LYS 89 18.929 -7.116 5.032 633 2HZ LYS 89 HZ2 LYS 89 19.820 -5.818 5.651 634 3HZ LYS 89 HZ3 LYS 89 19.241 -5.765 4.062 635 H PHE 90 HN PHE 90 11.953 -5.697 3.976 636 HA PHE 90 HA PHE 90 9.945 -4.681 5.867 637 1HB PHE 90 HB2 PHE 90 9.542 -4.838 2.878 638 2HB PHE 90 HB1 PHE 90 8.274 -4.519 4.050 639 HD1 PHE 90 HD1 PHE 90 8.399 -2.815 1.926 640 HD2 PHE 90 HD2 PHE 90 10.790 -2.714 5.420 641 HE1 PHE 90 HE1 PHE 90 8.724 -0.378 1.633 642 HE2 PHE 90 HE2 PHE 90 11.132 -0.293 5.147 643 HZ PHE 90 HZ PHE 90 10.091 0.880 3.244 644 H ALA 91 HN ALA 91 8.092 -6.056 6.152 645 HA ALA 91 HA ALA 91 8.289 -8.714 4.926 646 1HB ALA 91 HB1 ALA 91 6.911 -9.022 7.327 647 2HB ALA 91 HB2 ALA 91 8.251 -7.954 7.742 648 3HB ALA 91 HB3 ALA 91 8.571 -9.528 7.016 649 H ILE 92 HN ILE 92 6.748 -8.496 3.424 650 HA ILE 92 HA ILE 92 4.349 -6.956 4.032 651 HB ILE 92 HB ILE 92 5.242 -8.007 1.364 652 1HG1 ILE 92 2HG1 ILE 92 6.099 -5.550 2.873 653 2HG1 ILE 92 1HG1 ILE 92 7.075 -6.718 2.022 654 1HG2 ILE 92 1HG2 ILE 92 3.253 -5.955 2.242 655 2HG2 ILE 92 2HG2 ILE 92 3.025 -7.359 1.200 656 3HG2 ILE 92 3HG2 ILE 92 3.924 -5.963 0.611 657 1HD1 ILE 92 1HD1 ILE 92 7.195 -5.157 0.445 658 2HD1 ILE 92 2HD1 ILE 92 5.796 -4.287 1.071 659 3HD1 ILE 92 3HD1 ILE 92 5.566 -5.677 0.011 660 H ASN 93 HN ASN 93 2.331 -7.525 3.052 661 HA ASN 93 HA ASN 93 1.799 -10.378 2.717 662 1HB ASN 93 HB2 ASN 93 0.181 -8.519 4.474 663 2HB ASN 93 HB1 ASN 93 -0.268 -10.170 4.066 664 1HD2 ASN 93 1HD2 ASN 93 -0.059 -9.378 6.663 665 2HD2 ASN 93 2HD2 ASN 93 1.306 -10.141 7.401 666 H LEU 94 HN LEU 94 1.219 -10.380 0.591 667 HA LEU 94 HA LEU 94 0.040 -8.196 -0.735 668 1HB LEU 94 HB2 LEU 94 1.345 -10.128 -1.736 669 2HB LEU 94 HB1 LEU 94 -0.154 -11.035 -1.675 670 HG LEU 94 HG LEU 94 -1.205 -9.268 -3.094 671 1HD1 LEU 94 1HD1 LEU 94 0.828 -8.026 -4.366 672 2HD1 LEU 94 2HD1 LEU 94 1.461 -8.086 -2.721 673 3HD1 LEU 94 3HD1 LEU 94 -0.093 -7.315 -3.040 674 1HD2 LEU 94 1HD2 LEU 94 0.310 -11.413 -3.822 675 2HD2 LEU 94 2HD2 LEU 94 1.071 -10.109 -4.734 676 3HD2 LEU 94 3HD2 LEU 94 -0.652 -10.432 -4.927 677 H LYS 95 HN LYS 95 -2.032 -7.956 -1.693 678 HA LYS 95 HA LYS 95 -4.164 -9.649 -0.673 679 1HB LYS 95 HB2 LYS 95 -3.981 -6.689 -0.105 680 2HB LYS 95 HB1 LYS 95 -5.488 -7.585 -0.009 681 1HG LYS 95 HG2 LYS 95 -3.244 -8.732 1.503 682 2HG LYS 95 HG1 LYS 95 -3.829 -7.170 2.072 683 1HD LYS 95 HD2 LYS 95 -5.731 -8.050 2.867 684 2HD LYS 95 HD1 LYS 95 -5.973 -9.047 1.433 685 1HE LYS 95 HE2 LYS 95 -3.843 -10.275 2.621 686 2HE LYS 95 HE1 LYS 95 -4.764 -9.717 4.017 687 1HZ LYS 95 HZ1 LYS 95 -6.697 -10.763 2.496 688 2HZ LYS 95 HZ2 LYS 95 -5.877 -11.621 3.701 689 3HZ LYS 95 HZ3 LYS 95 -5.404 -11.774 2.085 690 H LYS 96 HN LYS 96 -5.197 -6.594 -1.720 691 HA LYS 96 HA LYS 96 -6.425 -7.726 -4.020 692 1HB LYS 96 HB2 LYS 96 -6.325 -4.954 -2.878 693 2HB LYS 96 HB1 LYS 96 -7.092 -5.270 -4.428 694 1HG LYS 96 HG2 LYS 96 -8.802 -6.488 -3.491 695 2HG LYS 96 HG1 LYS 96 -7.864 -6.895 -2.051 696 1HD LYS 96 HD2 LYS 96 -7.944 -4.324 -1.618 697 2HD LYS 96 HD1 LYS 96 -9.323 -4.374 -2.717 698 1HE LYS 96 HE2 LYS 96 -10.624 -5.529 -1.252 699 2HE LYS 96 HE1 LYS 96 -9.255 -6.380 -0.540 700 1HZ LYS 96 HZ1 LYS 96 -9.548 -4.987 1.158 701 2HZ LYS 96 HZ2 LYS 96 -10.495 -3.912 0.260 702 3HZ LYS 96 HZ3 LYS 96 -8.809 -3.817 0.184 703 H VAL 97 HN VAL 97 -5.160 -8.296 -5.690 704 HA VAL 97 HA VAL 97 -3.338 -6.288 -6.817 705 HB VAL 97 HB VAL 97 -2.076 -8.232 -6.300 706 1HG1 VAL 97 1HG1 VAL 97 -3.081 -10.419 -7.612 707 2HG1 VAL 97 2HG1 VAL 97 -4.537 -9.635 -7.001 708 3HG1 VAL 97 3HG1 VAL 97 -3.248 -10.093 -5.886 709 1HG2 VAL 97 1HG2 VAL 97 -2.307 -7.339 -8.889 710 2HG2 VAL 97 2HG2 VAL 97 -2.475 -9.085 -9.063 711 3HG2 VAL 97 3HG2 VAL 97 -1.044 -8.410 -8.282 712 H GLU 98 HN GLU 98 -4.391 -5.210 -8.411 713 HA GLU 98 HA GLU 98 -5.938 -6.805 -10.346 714 1HB GLU 98 HB2 GLU 98 -6.697 -4.070 -9.330 715 2HB GLU 98 HB1 GLU 98 -7.607 -5.045 -10.476 716 1HG GLU 98 HG2 GLU 98 -8.672 -6.059 -8.824 717 2HG GLU 98 HG1 GLU 98 -7.146 -6.559 -8.099 718 H GLU 99 HN GLU 99 -6.515 -5.154 -12.309 719 HA GLU 99 HA GLU 99 -3.900 -4.150 -13.170 720 1HB GLU 99 HB2 GLU 99 -5.064 -5.971 -14.480 721 2HB GLU 99 HB1 GLU 99 -6.246 -4.756 -14.946 722 1HG GLU 99 HG2 GLU 99 -3.842 -3.557 -15.545 723 2HG GLU 99 HG1 GLU 99 -3.573 -5.248 -15.965 724 H ARG 100 HN ARG 100 -3.957 -2.099 -12.293 725 HA ARG 100 HA ARG 100 -6.115 -0.287 -12.740 726 1HB ARG 100 HB2 ARG 100 -4.635 1.402 -11.806 727 2HB ARG 100 HB1 ARG 100 -4.568 -0.064 -10.837 728 1HG ARG 100 HG2 ARG 100 -2.366 -0.053 -11.035 729 2HG ARG 100 HG1 ARG 100 -2.546 -0.306 -12.771 730 1HD ARG 100 HD2 ARG 100 -2.918 2.264 -12.841 731 2HD ARG 100 HD1 ARG 100 -2.138 2.242 -11.260 732 HE ARG 100 HE ARG 100 -0.512 0.786 -12.957 733 1HH1 ARG 100 1HH1 ARG 100 -1.691 4.062 -12.718 734 2HH1 ARG 100 2HH1 ARG 100 -0.306 4.749 -13.499 735 1HH2 ARG 100 1HH2 ARG 100 1.307 1.689 -13.987 736 2HH2 ARG 100 2HH2 ARG 100 1.395 3.402 -14.220 737 H GLU 101 HN GLU 101 -5.880 1.762 -13.922 738 HA GLU 101 HA GLU 101 -3.948 2.175 -15.921 739 1HB GLU 101 HB2 GLU 101 -5.377 0.131 -16.757 740 2HB GLU 101 HB1 GLU 101 -6.544 1.378 -17.176 741 1HG GLU 101 HG2 GLU 101 -5.322 2.142 -18.896 742 2HG GLU 101 HG1 GLU 101 -3.789 1.884 -18.064 743 H LEU 102 HN LEU 102 -4.181 4.211 -14.865 744 HA LEU 102 HA LEU 102 -6.647 5.654 -14.956 745 1HB LEU 102 HB2 LEU 102 -3.815 6.382 -14.270 746 2HB LEU 102 HB1 LEU 102 -5.070 7.602 -14.352 747 HG LEU 102 HG LEU 102 -6.261 6.635 -12.528 748 1HD1 LEU 102 1HD1 LEU 102 -5.272 4.567 -11.396 749 2HD1 LEU 102 2HD1 LEU 102 -4.409 4.303 -12.912 750 3HD1 LEU 102 3HD1 LEU 102 -6.172 4.324 -12.893 751 1HD2 LEU 102 1HD2 LEU 102 -3.296 6.804 -12.098 752 2HD2 LEU 102 2HD2 LEU 102 -4.418 6.515 -10.768 753 3HD2 LEU 102 3HD2 LEU 102 -4.535 7.999 -11.716 754 HA PRO 103 HA PRO 103 -6.307 7.195 -19.102 755 1HB PRO 103 HB2 PRO 103 -8.009 9.299 -18.924 756 2HB PRO 103 HB1 PRO 103 -8.563 7.623 -18.984 757 1HG PRO 103 HG2 PRO 103 -8.228 9.424 -16.617 758 2HG PRO 103 HG1 PRO 103 -9.553 8.306 -16.995 759 1HD PRO 103 HD2 PRO 103 -7.581 7.696 -15.239 760 2HD PRO 103 HD1 PRO 103 -8.387 6.469 -16.237 761 H GLU 104 HN GLU 104 -4.455 8.149 -19.688 762 HA GLU 104 HA GLU 104 -3.371 10.396 -18.255 763 1HB GLU 104 HB2 GLU 104 -2.481 8.587 -20.411 764 2HB GLU 104 HB1 GLU 104 -1.837 10.220 -20.494 765 1HG GLU 104 HG2 GLU 104 -1.020 9.994 -18.188 766 2HG GLU 104 HG1 GLU 104 -1.618 8.337 -18.157 767 H LEU 105 HN LEU 105 -4.999 9.861 -21.335 768 HA LEU 105 HA LEU 105 -4.848 12.727 -21.931 769 1HB LEU 105 HB2 LEU 105 -4.771 10.385 -23.525 770 2HB LEU 105 HB1 LEU 105 -6.245 11.239 -23.941 771 HG LEU 105 HG LEU 105 -3.477 12.443 -23.990 772 1HD1 LEU 105 1HD1 LEU 105 -3.845 12.435 -26.461 773 2HD1 LEU 105 2HD1 LEU 105 -5.245 11.399 -26.192 774 3HD1 LEU 105 3HD1 LEU 105 -3.634 10.837 -25.746 775 1HD2 LEU 105 1HD2 LEU 105 -4.397 14.427 -24.599 776 2HD2 LEU 105 2HD2 LEU 105 -5.721 13.820 -23.605 777 3HD2 LEU 105 3HD2 LEU 105 -5.797 13.673 -25.361 778 H THR 106 HN THR 106 -6.377 13.673 -20.654 779 HA THR 106 HA THR 106 -9.130 13.254 -21.420 780 HB THR 106 HB THR 106 -8.946 11.591 -19.673 781 HG1 THR 106 HG1 THR 106 -10.204 13.884 -18.586 782 1HG2 THR 106 1HG2 THR 106 -8.580 13.060 -17.323 783 2HG2 THR 106 2HG2 THR 106 -7.255 13.514 -18.395 784 3HG2 THR 106 3HG2 THR 106 -7.527 11.818 -17.998 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -24.870 4.696 1.156 2 2H GLY 1 HT2 GLY 1 -25.771 4.231 2.510 3 3H GLY 1 HT3 GLY 1 -24.570 3.208 1.905 4 1HA GLY 1 HA1 GLY 1 -23.986 5.917 2.945 5 2HA GLY 1 HA2 GLY 1 -23.970 4.490 3.968 6 H SER 2 HN SER 2 -22.955 4.500 0.612 7 HA SER 2 HA SER 2 -20.240 3.821 1.506 8 1HB SER 2 HB2 SER 2 -20.003 2.920 -0.852 9 2HB SER 2 HB1 SER 2 -21.170 2.075 0.164 10 HG SER 2 HG SER 2 -22.807 2.942 -0.960 11 H HIS 3 HN HIS 3 -18.759 5.364 1.361 12 HA HIS 3 HA HIS 3 -19.007 7.352 -0.801 13 1HB HIS 3 HB2 HIS 3 -18.042 7.766 2.032 14 2HB HIS 3 HB1 HIS 3 -17.878 8.961 0.752 15 HD2 HIS 3 HD2 HIS 3 -21.158 8.048 -0.196 16 HE1 HIS 3 HE1 HIS 3 -21.915 10.277 3.335 17 HE2 HIS 3 HE2 HIS 3 -22.892 9.368 1.198 18 H MET 4 HN MET 4 -17.189 7.889 -1.929 19 HA MET 4 HA MET 4 -14.586 6.930 -1.089 20 1HB MET 4 HB2 MET 4 -14.188 5.686 -3.188 21 2HB MET 4 HB1 MET 4 -15.458 4.960 -2.212 22 1HG MET 4 HG2 MET 4 -17.091 5.455 -3.711 23 2HG MET 4 HG1 MET 4 -16.274 6.902 -4.294 24 1HE MET 4 HE1 MET 4 -17.869 4.843 -5.800 25 2HE MET 4 HE2 MET 4 -17.176 3.243 -5.540 26 3HE MET 4 HE3 MET 4 -16.964 4.052 -7.092 27 H GLN 5 HN GLN 5 -12.965 8.222 -1.843 28 HA GLN 5 HA GLN 5 -13.789 10.441 -3.553 29 1HB GLN 5 HB2 GLN 5 -11.559 11.423 -2.882 30 2HB GLN 5 HB1 GLN 5 -12.721 11.203 -1.584 31 1HG GLN 5 HG2 GLN 5 -11.490 9.586 -0.562 32 2HG GLN 5 HG1 GLN 5 -10.759 9.033 -2.066 33 1HE2 GLN 5 1HE2 GLN 5 -8.644 9.207 -1.762 34 2HE2 GLN 5 2HE2 GLN 5 -7.820 10.630 -1.233 35 H ALA 6 HN ALA 6 -11.224 7.988 -3.358 36 HA ALA 6 HA ALA 6 -10.323 8.663 -6.041 37 1HB ALA 6 HB1 ALA 6 -9.243 7.114 -3.779 38 2HB ALA 6 HB2 ALA 6 -8.424 8.169 -4.930 39 3HB ALA 6 HB3 ALA 6 -8.836 6.516 -5.388 40 H THR 7 HN THR 7 -10.360 7.228 -7.792 41 HA THR 7 HA THR 7 -12.076 4.860 -7.479 42 HB THR 7 HB THR 7 -13.408 6.651 -8.495 43 HG1 THR 7 HG1 THR 7 -12.652 4.605 -10.302 44 1HG2 THR 7 1HG2 THR 7 -12.404 6.856 -11.082 45 2HG2 THR 7 2HG2 THR 7 -11.026 7.142 -10.020 46 3HG2 THR 7 3HG2 THR 7 -12.483 8.122 -9.858 47 H TRP 8 HN TRP 8 -11.647 3.140 -8.952 48 HA TRP 8 HA TRP 8 -9.131 3.379 -10.443 49 1HB TRP 8 HB2 TRP 8 -9.929 1.232 -8.487 50 2HB TRP 8 HB1 TRP 8 -8.679 0.982 -9.700 51 HD1 TRP 8 HD1 TRP 8 -9.359 3.762 -7.058 52 HE1 TRP 8 HE1 TRP 8 -7.129 4.287 -5.902 53 HE3 TRP 8 HE3 TRP 8 -6.368 0.497 -9.582 54 HZ2 TRP 8 HZ2 TRP 8 -4.424 3.418 -6.042 55 HZ3 TRP 8 HZ3 TRP 8 -3.990 0.398 -9.018 56 HH2 TRP 8 HH2 TRP 8 -3.016 1.818 -7.295 57 H LYS 9 HN LYS 9 -8.856 1.822 -12.118 58 HA LYS 9 HA LYS 9 -11.396 0.730 -13.147 59 1HB LYS 9 HB2 LYS 9 -9.115 1.508 -14.934 60 2HB LYS 9 HB1 LYS 9 -10.818 1.324 -15.335 61 1HG LYS 9 HG2 LYS 9 -10.470 3.375 -13.352 62 2HG LYS 9 HG1 LYS 9 -9.451 3.684 -14.755 63 1HD LYS 9 HD2 LYS 9 -11.406 3.442 -16.216 64 2HD LYS 9 HD1 LYS 9 -12.419 3.158 -14.798 65 1HE LYS 9 HE2 LYS 9 -11.346 5.456 -14.034 66 2HE LYS 9 HE1 LYS 9 -11.166 5.671 -15.775 67 1HZ LYS 9 HZ1 LYS 9 -13.446 6.072 -14.240 68 2HZ LYS 9 HZ2 LYS 9 -13.758 4.719 -15.206 69 3HZ LYS 9 HZ3 LYS 9 -13.300 6.182 -15.923 70 H GLU 10 HN GLU 10 -8.903 -0.300 -11.592 71 HA GLU 10 HA GLU 10 -7.677 -2.220 -13.252 72 1HB GLU 10 HB2 GLU 10 -6.787 -3.157 -11.173 73 2HB GLU 10 HB1 GLU 10 -6.612 -1.411 -11.224 74 1HG GLU 10 HG2 GLU 10 -8.829 -1.377 -9.905 75 2HG GLU 10 HG1 GLU 10 -8.460 -3.067 -9.562 76 H LYS 11 HN LYS 11 -8.066 -4.327 -13.625 77 HA LYS 11 HA LYS 11 -10.715 -5.276 -13.452 78 1HB LYS 11 HB2 LYS 11 -9.734 -7.424 -14.277 79 2HB LYS 11 HB1 LYS 11 -9.293 -6.022 -15.237 80 1HG LYS 11 HG2 LYS 11 -7.114 -5.945 -14.184 81 2HG LYS 11 HG1 LYS 11 -7.549 -7.299 -13.142 82 1HD LYS 11 HD2 LYS 11 -6.247 -8.190 -14.916 83 2HD LYS 11 HD1 LYS 11 -7.921 -8.648 -15.235 84 1HE LYS 11 HE2 LYS 11 -8.088 -6.669 -16.751 85 2HE LYS 11 HE1 LYS 11 -6.357 -6.418 -16.528 86 1HZ LYS 11 HZ1 LYS 11 -5.965 -7.906 -18.102 87 2HZ LYS 11 HZ2 LYS 11 -7.626 -8.113 -18.343 88 3HZ LYS 11 HZ3 LYS 11 -6.803 -9.099 -17.242 89 H ASP 12 HN ASP 12 -10.435 -7.980 -12.704 90 HA ASP 12 HA ASP 12 -9.884 -7.749 -9.820 91 1HB ASP 12 HB2 ASP 12 -12.362 -8.234 -11.079 92 2HB ASP 12 HB1 ASP 12 -11.865 -9.764 -10.368 93 H GLY 13 HN GLY 13 -8.224 -8.816 -12.084 94 1HA GLY 13 HA2 GLY 13 -8.067 -11.641 -11.254 95 2HA GLY 13 HA1 GLY 13 -7.466 -11.005 -12.777 96 H ALA 14 HN ALA 14 -5.451 -12.011 -12.352 97 HA ALA 14 HA ALA 14 -3.897 -11.441 -10.046 98 1HB ALA 14 HB1 ALA 14 -3.031 -13.309 -10.937 99 2HB ALA 14 HB2 ALA 14 -2.063 -12.201 -11.909 100 3HB ALA 14 HB3 ALA 14 -3.545 -12.890 -12.570 101 H VAL 15 HN VAL 15 -1.422 -10.755 -10.883 102 HA VAL 15 HA VAL 15 -1.585 -7.912 -11.164 103 HB VAL 15 HB VAL 15 0.257 -8.915 -9.933 104 1HG1 VAL 15 1HG1 VAL 15 1.062 -10.087 -12.586 105 2HG1 VAL 15 2HG1 VAL 15 0.545 -10.969 -11.150 106 3HG1 VAL 15 3HG1 VAL 15 2.072 -10.086 -11.140 107 1HG2 VAL 15 1HG2 VAL 15 0.445 -6.771 -11.518 108 2HG2 VAL 15 2HG2 VAL 15 1.723 -7.762 -12.220 109 3HG2 VAL 15 3HG2 VAL 15 1.767 -7.343 -10.511 110 H GLU 16 HN GLU 16 -0.654 -6.645 -12.942 111 HA GLU 16 HA GLU 16 -0.453 -8.067 -15.478 112 1HB GLU 16 HB2 GLU 16 -2.262 -5.754 -14.829 113 2HB GLU 16 HB1 GLU 16 -1.672 -6.006 -16.467 114 1HG GLU 16 HG2 GLU 16 -3.803 -7.010 -16.347 115 2HG GLU 16 HG1 GLU 16 -2.626 -8.322 -16.348 116 H ALA 17 HN ALA 17 0.657 -6.817 -17.097 117 HA ALA 17 HA ALA 17 3.105 -6.049 -16.793 118 1HB ALA 17 HB1 ALA 17 2.849 -4.144 -18.443 119 2HB ALA 17 HB2 ALA 17 1.113 -4.449 -18.374 120 3HB ALA 17 HB3 ALA 17 2.209 -5.709 -18.942 121 H GLU 18 HN GLU 18 0.951 -3.193 -16.654 122 HA GLU 18 HA GLU 18 2.650 -2.187 -14.461 123 1HB GLU 18 HB2 GLU 18 1.251 -0.671 -16.661 124 2HB GLU 18 HB1 GLU 18 2.043 0.096 -15.291 125 1HG GLU 18 HG2 GLU 18 4.068 -0.145 -16.185 126 2HG GLU 18 HG1 GLU 18 3.754 -1.809 -16.674 127 H ASP 19 HN ASP 19 1.026 -3.465 -13.163 128 HA ASP 19 HA ASP 19 -1.531 -2.078 -12.839 129 1HB ASP 19 HB2 ASP 19 -2.411 -4.069 -12.258 130 2HB ASP 19 HB1 ASP 19 -0.983 -4.707 -13.040 131 H ARG 20 HN ARG 20 -2.224 -2.721 -10.284 132 HA ARG 20 HA ARG 20 -0.199 -1.642 -8.485 133 1HB ARG 20 HB2 ARG 20 -2.268 -0.036 -9.511 134 2HB ARG 20 HB1 ARG 20 -2.739 -0.425 -7.870 135 1HG ARG 20 HG2 ARG 20 -1.268 0.997 -7.017 136 2HG ARG 20 HG1 ARG 20 0.034 0.374 -8.021 137 1HD ARG 20 HD2 ARG 20 -0.106 2.117 -9.404 138 2HD ARG 20 HD1 ARG 20 -1.835 1.875 -9.611 139 HE ARG 20 HE ARG 20 -2.121 3.711 -8.318 140 1HH1 ARG 20 1HH1 ARG 20 0.822 2.155 -7.253 141 2HH1 ARG 20 2HH1 ARG 20 1.186 3.377 -6.085 142 1HH2 ARG 20 1HH2 ARG 20 -1.632 5.316 -6.787 143 2HH2 ARG 20 2HH2 ARG 20 -0.203 5.167 -5.818 144 H VAL 21 HN VAL 21 -0.114 -3.107 -6.898 145 HA VAL 21 HA VAL 21 -2.490 -4.659 -6.190 146 HB VAL 21 HB VAL 21 -0.963 -6.072 -4.890 147 1HG1 VAL 21 1HG1 VAL 21 0.108 -7.148 -6.700 148 2HG1 VAL 21 2HG1 VAL 21 0.251 -5.641 -7.607 149 3HG1 VAL 21 3HG1 VAL 21 -1.332 -6.382 -7.381 150 1HG2 VAL 21 1HG2 VAL 21 0.856 -3.829 -5.361 151 2HG2 VAL 21 2HG2 VAL 21 1.577 -5.416 -5.628 152 3HG2 VAL 21 3HG2 VAL 21 0.843 -5.030 -4.071 153 H THR 22 HN THR 22 -2.742 -5.173 -3.788 154 HA THR 22 HA THR 22 -2.278 -2.738 -2.181 155 HB THR 22 HB THR 22 -4.593 -4.689 -2.051 156 HG1 THR 22 HG1 THR 22 -4.523 -1.910 -2.611 157 1HG2 THR 22 1HG2 THR 22 -5.196 -2.503 -0.457 158 2HG2 THR 22 2HG2 THR 22 -3.545 -2.937 -0.008 159 3HG2 THR 22 3HG2 THR 22 -4.833 -4.142 0.081 160 H ILE 23 HN ILE 23 -0.678 -3.150 -0.769 161 HA ILE 23 HA ILE 23 -0.655 -5.806 0.518 162 HB ILE 23 HB ILE 23 1.832 -5.659 0.528 163 1HG1 ILE 23 2HG1 ILE 23 2.243 -3.936 -1.666 164 2HG1 ILE 23 1HG1 ILE 23 1.277 -3.048 -0.490 165 1HG2 ILE 23 1HG2 ILE 23 1.500 -5.612 -2.307 166 2HG2 ILE 23 2HG2 ILE 23 0.096 -6.380 -1.571 167 3HG2 ILE 23 3HG2 ILE 23 1.714 -6.998 -1.239 168 1HD1 ILE 23 1HD1 ILE 23 3.995 -3.313 -0.458 169 2HD1 ILE 23 2HD1 ILE 23 3.469 -4.518 0.714 170 3HD1 ILE 23 3HD1 ILE 23 2.984 -2.837 0.906 171 H ASP 24 HN ASP 24 0.208 -5.957 2.593 172 HA ASP 24 HA ASP 24 0.527 -3.424 4.093 173 1HB ASP 24 HB2 ASP 24 -0.269 -4.773 6.095 174 2HB ASP 24 HB1 ASP 24 -1.504 -4.440 4.892 175 H PHE 25 HN PHE 25 2.520 -3.272 5.156 176 HA PHE 25 HA PHE 25 3.972 -5.773 5.634 177 1HB PHE 25 HB2 PHE 25 5.982 -5.000 4.567 178 2HB PHE 25 HB1 PHE 25 4.649 -4.914 3.419 179 HD1 PHE 25 HD1 PHE 25 4.274 -2.972 2.244 180 HD2 PHE 25 HD2 PHE 25 6.580 -2.814 5.811 181 HE1 PHE 25 HE1 PHE 25 4.766 -0.601 1.822 182 HE2 PHE 25 HE2 PHE 25 7.068 -0.428 5.390 183 HZ PHE 25 HZ PHE 25 6.155 0.668 3.382 184 H THR 26 HN THR 26 5.891 -5.567 6.934 185 HA THR 26 HA THR 26 6.050 -3.178 8.619 186 HB THR 26 HB THR 26 5.795 -5.986 9.701 187 HG1 THR 26 HG1 THR 26 3.820 -5.026 8.957 188 1HG2 THR 26 1HG2 THR 26 6.575 -3.446 10.948 189 2HG2 THR 26 2HG2 THR 26 6.926 -5.108 11.424 190 3HG2 THR 26 3HG2 THR 26 5.365 -4.389 11.816 191 H GLY 27 HN GLY 27 8.129 -2.543 8.494 192 1HA GLY 27 HA2 GLY 27 10.246 -4.400 9.103 193 2HA GLY 27 HA1 GLY 27 10.243 -3.880 7.434 194 H SER 28 HN SER 28 12.413 -3.427 8.911 195 HA SER 28 HA SER 28 12.318 -0.578 9.670 196 1HB SER 28 HB2 SER 28 14.785 -1.844 10.417 197 2HB SER 28 HB1 SER 28 13.532 -1.193 11.462 198 HG SER 28 HG SER 28 12.556 -3.161 11.537 199 H VAL 29 HN VAL 29 14.515 0.528 9.360 200 HA VAL 29 HA VAL 29 15.529 -0.097 6.683 201 HB VAL 29 HB VAL 29 14.442 1.998 6.529 202 1HG1 VAL 29 1HG1 VAL 29 16.010 3.463 8.534 203 2HG1 VAL 29 2HG1 VAL 29 14.827 2.324 9.179 204 3HG1 VAL 29 3HG1 VAL 29 14.314 3.604 8.085 205 1HG2 VAL 29 1HG2 VAL 29 16.595 3.590 6.432 206 2HG2 VAL 29 2HG2 VAL 29 16.226 2.374 5.210 207 3HG2 VAL 29 3HG2 VAL 29 17.392 2.020 6.482 208 H ASP 30 HN ASP 30 16.803 1.863 9.402 209 HA ASP 30 HA ASP 30 19.399 0.602 8.952 210 1HB ASP 30 HB2 ASP 30 18.972 3.177 9.187 211 2HB ASP 30 HB1 ASP 30 18.944 2.828 10.914 212 H GLY 31 HN GLY 31 17.366 -0.968 10.119 213 1HA GLY 31 HA2 GLY 31 17.632 -2.649 11.768 214 2HA GLY 31 HA1 GLY 31 18.633 -1.542 12.697 215 H GLU 32 HN GLU 32 16.312 0.461 11.912 216 HA GLU 32 HA GLU 32 14.365 -0.439 13.914 217 1HB GLU 32 HB2 GLU 32 15.574 2.333 13.819 218 2HB GLU 32 HB1 GLU 32 14.320 1.791 14.924 219 1HG GLU 32 HG2 GLU 32 15.812 0.348 16.058 220 2HG GLU 32 HG1 GLU 32 17.046 0.535 14.812 221 H GLU 33 HN GLU 33 12.346 -0.273 13.167 222 HA GLU 33 HA GLU 33 11.726 0.594 10.615 223 1HB GLU 33 HB2 GLU 33 9.319 0.567 11.479 224 2HB GLU 33 HB1 GLU 33 10.225 -0.936 11.564 225 1HG GLU 33 HG2 GLU 33 10.389 -0.871 13.851 226 2HG GLU 33 HG1 GLU 33 10.192 0.880 13.922 227 H PHE 34 HN PHE 34 11.610 2.521 9.781 228 HA PHE 34 HA PHE 34 11.595 4.870 11.402 229 1HB PHE 34 HB2 PHE 34 11.962 6.018 9.256 230 2HB PHE 34 HB1 PHE 34 13.089 4.694 9.491 231 HD1 PHE 34 HD1 PHE 34 12.467 2.430 8.350 232 HD2 PHE 34 HD2 PHE 34 10.787 6.187 7.252 233 HE1 PHE 34 HE1 PHE 34 11.841 1.512 6.160 234 HE2 PHE 34 HE2 PHE 34 10.158 5.265 5.059 235 HZ PHE 34 HZ PHE 34 10.683 2.924 4.514 236 H GLU 35 HN GLU 35 10.201 6.125 8.957 237 HA GLU 35 HA GLU 35 7.659 6.450 10.197 238 1HB GLU 35 HB2 GLU 35 8.663 7.317 7.480 239 2HB GLU 35 HB1 GLU 35 7.127 7.806 8.180 240 1HG GLU 35 HG2 GLU 35 9.779 8.356 9.479 241 2HG GLU 35 HG1 GLU 35 8.994 9.470 8.360 242 H GLY 36 HN GLY 36 8.615 5.197 7.010 243 1HA GLY 36 HA2 GLY 36 6.067 3.855 6.696 244 2HA GLY 36 HA1 GLY 36 7.366 3.920 5.519 245 H GLY 37 HN GLY 37 8.083 2.921 8.789 246 1HA GLY 37 HA2 GLY 37 9.252 0.520 7.997 247 2HA GLY 37 HA1 GLY 37 8.704 0.878 9.631 248 H LYS 38 HN LYS 38 5.986 1.133 9.282 249 HA LYS 38 HA LYS 38 5.217 -1.524 8.280 250 1HB LYS 38 HB2 LYS 38 5.160 -1.534 10.694 251 2HB LYS 38 HB1 LYS 38 4.233 -0.042 10.720 252 1HG LYS 38 HG2 LYS 38 2.482 -1.428 9.377 253 2HG LYS 38 HG1 LYS 38 3.349 -2.808 10.049 254 1HD LYS 38 HD2 LYS 38 1.688 -2.434 11.623 255 2HD LYS 38 HD1 LYS 38 3.072 -1.580 12.308 256 1HE LYS 38 HE2 LYS 38 1.562 0.090 12.516 257 2HE LYS 38 HE1 LYS 38 2.016 0.398 10.841 258 1HZ LYS 38 HZ1 LYS 38 -0.423 -0.859 11.900 259 2HZ LYS 38 HZ2 LYS 38 0.105 -1.252 10.342 260 3HZ LYS 38 HZ3 LYS 38 -0.264 0.353 10.731 261 H ALA 39 HN ALA 39 3.357 -1.720 7.149 262 HA ALA 39 HA ALA 39 1.625 0.602 6.770 263 1HB ALA 39 HB1 ALA 39 1.816 -0.341 4.196 264 2HB ALA 39 HB2 ALA 39 3.483 -0.442 4.769 265 3HB ALA 39 HB3 ALA 39 2.624 1.098 4.823 266 H SER 40 HN SER 40 -0.449 0.044 5.864 267 HA SER 40 HA SER 40 -1.062 -2.822 6.142 268 1HB SER 40 HB2 SER 40 -2.017 -0.990 7.808 269 2HB SER 40 HB1 SER 40 -3.196 -0.771 6.513 270 HG SER 40 HG SER 40 -2.743 -2.983 8.164 271 H ASP 41 HN ASP 41 -2.349 0.134 4.589 272 HA ASP 41 HA ASP 41 -3.265 -1.507 2.368 273 1HB ASP 41 HB2 ASP 41 -4.085 1.288 3.201 274 2HB ASP 41 HB1 ASP 41 -4.691 0.433 1.785 275 H PHE 42 HN PHE 42 -0.880 -1.519 1.804 276 HA PHE 42 HA PHE 42 0.036 1.040 0.738 277 1HB PHE 42 HB2 PHE 42 1.619 -0.421 2.047 278 2HB PHE 42 HB1 PHE 42 1.544 -1.578 0.723 279 HD1 PHE 42 HD1 PHE 42 3.875 -1.483 0.131 280 HD2 PHE 42 HD2 PHE 42 1.531 2.074 0.254 281 HE1 PHE 42 HE1 PHE 42 5.658 -0.263 -1.038 282 HE2 PHE 42 HE2 PHE 42 3.317 3.295 -0.908 283 HZ PHE 42 HZ PHE 42 5.384 2.127 -1.555 284 H VAL 43 HN VAL 43 -0.783 1.534 -1.194 285 HA VAL 43 HA VAL 43 -1.460 -0.511 -3.092 286 HB VAL 43 HB VAL 43 -2.845 1.486 -2.792 287 1HG1 VAL 43 1HG1 VAL 43 -2.056 3.638 -3.822 288 2HG1 VAL 43 2HG1 VAL 43 -0.433 2.959 -3.800 289 3HG1 VAL 43 3HG1 VAL 43 -1.305 3.195 -2.289 290 1HG2 VAL 43 1HG2 VAL 43 -2.094 2.017 -5.530 291 2HG2 VAL 43 2HG2 VAL 43 -3.547 1.250 -4.892 292 3HG2 VAL 43 3HG2 VAL 43 -2.098 0.286 -5.188 293 H LEU 44 HN LEU 44 0.347 -1.495 -3.838 294 HA LEU 44 HA LEU 44 2.613 0.079 -4.730 295 1HB LEU 44 HB2 LEU 44 2.299 -2.489 -3.692 296 2HB LEU 44 HB1 LEU 44 2.727 -2.747 -5.373 297 HG LEU 44 HG LEU 44 4.320 -1.285 -3.277 298 1HD1 LEU 44 1HD1 LEU 44 4.881 -3.720 -4.958 299 2HD1 LEU 44 2HD1 LEU 44 4.532 -3.695 -3.229 300 3HD1 LEU 44 3HD1 LEU 44 6.011 -2.961 -3.840 301 1HD2 LEU 44 1HD2 LEU 44 5.994 -0.962 -5.115 302 2HD2 LEU 44 2HD2 LEU 44 4.541 0.030 -5.251 303 3HD2 LEU 44 3HD2 LEU 44 4.725 -1.405 -6.259 304 H ALA 45 HN ALA 45 3.284 0.307 -6.803 305 HA ALA 45 HA ALA 45 1.330 -0.421 -8.883 306 1HB ALA 45 HB1 ALA 45 2.648 1.347 -10.208 307 2HB ALA 45 HB2 ALA 45 3.318 1.813 -8.645 308 3HB ALA 45 HB3 ALA 45 1.582 1.895 -8.920 309 H MET 46 HN MET 46 1.951 -2.350 -9.766 310 HA MET 46 HA MET 46 4.673 -3.152 -9.975 311 1HB MET 46 HB2 MET 46 2.063 -4.259 -10.804 312 2HB MET 46 HB1 MET 46 3.460 -4.811 -11.708 313 1HG MET 46 HG2 MET 46 3.056 -5.005 -8.733 314 2HG MET 46 HG1 MET 46 2.985 -6.322 -9.897 315 1HE MET 46 HE1 MET 46 5.072 -5.874 -11.833 316 2HE MET 46 HE2 MET 46 5.406 -7.421 -11.053 317 3HE MET 46 HE3 MET 46 6.696 -6.232 -11.247 318 H GLY 47 HN GLY 47 5.602 -1.384 -11.025 319 1HA GLY 47 HA2 GLY 47 6.772 -1.000 -13.101 320 2HA GLY 47 HA1 GLY 47 5.333 -1.532 -13.958 321 H GLN 48 HN GLN 48 6.066 0.938 -11.492 322 HA GLN 48 HA GLN 48 4.548 2.861 -13.125 323 1HB GLN 48 HB2 GLN 48 4.432 2.227 -10.350 324 2HB GLN 48 HB1 GLN 48 5.039 3.870 -10.499 325 1HG GLN 48 HG2 GLN 48 2.584 2.960 -11.956 326 2HG GLN 48 HG1 GLN 48 2.521 3.544 -10.294 327 1HE2 GLN 48 1HE2 GLN 48 2.697 4.391 -13.586 328 2HE2 GLN 48 2HE2 GLN 48 2.793 6.104 -13.383 329 H GLY 49 HN GLY 49 7.002 3.193 -10.576 330 1HA GLY 49 HA2 GLY 49 8.376 5.160 -12.268 331 2HA GLY 49 HA1 GLY 49 8.561 4.996 -10.528 332 H ARG 50 HN ARG 50 9.145 2.367 -10.188 333 HA ARG 50 HA ARG 50 10.970 1.206 -11.951 334 1HB ARG 50 HB2 ARG 50 13.112 1.766 -10.912 335 2HB ARG 50 HB1 ARG 50 12.328 3.208 -11.544 336 1HG ARG 50 HG2 ARG 50 12.137 4.144 -9.520 337 2HG ARG 50 HG1 ARG 50 11.699 2.623 -8.745 338 1HD ARG 50 HD2 ARG 50 13.937 3.749 -8.109 339 2HD ARG 50 HD1 ARG 50 13.909 2.011 -8.399 340 HE ARG 50 HE ARG 50 15.408 2.373 -10.062 341 1HH1 ARG 50 1HH1 ARG 50 13.528 5.291 -9.675 342 2HH1 ARG 50 2HH1 ARG 50 14.369 6.145 -10.921 343 1HH2 ARG 50 1HH2 ARG 50 16.519 3.502 -11.694 344 2HH2 ARG 50 2HH2 ARG 50 16.069 5.133 -12.066 345 H MET 51 HN MET 51 9.275 -0.227 -10.782 346 HA MET 51 HA MET 51 9.408 -1.008 -8.160 347 1HB MET 51 HB2 MET 51 7.912 -1.853 -10.122 348 2HB MET 51 HB1 MET 51 9.146 -3.095 -10.296 349 1HG MET 51 HG2 MET 51 7.938 -4.242 -8.821 350 2HG MET 51 HG1 MET 51 8.659 -3.174 -7.618 351 1HE MET 51 HE1 MET 51 7.314 -0.776 -6.845 352 2HE MET 51 HE2 MET 51 5.814 -0.329 -7.658 353 3HE MET 51 HE3 MET 51 7.309 -0.471 -8.584 354 H ILE 52 HN ILE 52 11.174 -1.410 -7.020 355 HA ILE 52 HA ILE 52 13.598 -2.417 -8.097 356 HB ILE 52 HB ILE 52 13.989 -2.914 -5.497 357 1HG1 ILE 52 2HG1 ILE 52 11.899 -0.728 -5.451 358 2HG1 ILE 52 1HG1 ILE 52 11.592 -2.390 -4.957 359 1HG2 ILE 52 1HG2 ILE 52 14.047 -0.289 -6.946 360 2HG2 ILE 52 2HG2 ILE 52 15.375 -1.402 -6.621 361 3HG2 ILE 52 3HG2 ILE 52 14.667 -0.468 -5.304 362 1HD1 ILE 52 1HD1 ILE 52 12.014 -0.853 -3.078 363 2HD1 ILE 52 2HD1 ILE 52 13.642 -0.581 -3.703 364 3HD1 ILE 52 3HD1 ILE 52 13.163 -2.189 -3.154 365 HA PRO 53 HA PRO 53 13.228 -6.799 -8.000 366 1HB PRO 53 HB2 PRO 53 15.366 -7.579 -6.427 367 2HB PRO 53 HB1 PRO 53 15.478 -7.165 -8.141 368 1HG PRO 53 HG2 PRO 53 16.070 -5.481 -5.742 369 2HG PRO 53 HG1 PRO 53 16.958 -5.601 -7.273 370 1HD PRO 53 HD2 PRO 53 15.338 -3.534 -6.772 371 2HD PRO 53 HD1 PRO 53 15.443 -4.241 -8.399 372 H GLY 54 HN GLY 54 13.544 -5.093 -4.977 373 1HA GLY 54 HA2 GLY 54 12.896 -7.202 -3.215 374 2HA GLY 54 HA1 GLY 54 12.714 -5.487 -2.883 375 H PHE 55 HN PHE 55 10.802 -4.522 -4.315 376 HA PHE 55 HA PHE 55 8.470 -5.815 -3.334 377 1HB PHE 55 HB2 PHE 55 8.880 -3.412 -5.117 378 2HB PHE 55 HB1 PHE 55 7.280 -4.007 -4.700 379 HD1 PHE 55 HD1 PHE 55 6.788 -4.224 -2.131 380 HD2 PHE 55 HD2 PHE 55 9.878 -1.817 -3.799 381 HE1 PHE 55 HE1 PHE 55 6.818 -2.869 -0.101 382 HE2 PHE 55 HE2 PHE 55 9.910 -0.450 -1.756 383 HZ PHE 55 HZ PHE 55 8.378 -0.975 0.095 384 H GLU 56 HN GLU 56 9.951 -5.403 -6.499 385 HA GLU 56 HA GLU 56 7.956 -6.491 -8.094 386 1HB GLU 56 HB2 GLU 56 10.052 -5.368 -8.887 387 2HB GLU 56 HB1 GLU 56 10.928 -6.842 -8.499 388 1HG GLU 56 HG2 GLU 56 10.421 -7.687 -10.474 389 2HG GLU 56 HG1 GLU 56 8.701 -7.535 -10.119 390 H ASP 57 HN ASP 57 10.037 -8.019 -5.814 391 HA ASP 57 HA ASP 57 9.785 -10.664 -6.912 392 1HB ASP 57 HB2 ASP 57 11.282 -9.395 -4.779 393 2HB ASP 57 HB1 ASP 57 10.558 -10.901 -4.231 394 H GLY 58 HN GLY 58 8.977 -9.687 -3.583 395 1HA GLY 58 HA2 GLY 58 7.032 -11.695 -3.285 396 2HA GLY 58 HA1 GLY 58 7.246 -10.313 -2.225 397 H ILE 59 HN ILE 59 6.563 -8.195 -3.601 398 HA ILE 59 HA ILE 59 3.735 -8.450 -3.923 399 HB ILE 59 HB ILE 59 5.454 -6.013 -4.440 400 1HG1 ILE 59 2HG1 ILE 59 4.768 -5.552 -1.964 401 2HG1 ILE 59 1HG1 ILE 59 4.615 -7.291 -1.860 402 1HG2 ILE 59 1HG2 ILE 59 2.593 -6.541 -4.253 403 2HG2 ILE 59 2HG2 ILE 59 3.451 -5.159 -4.937 404 3HG2 ILE 59 3HG2 ILE 59 3.128 -5.227 -3.206 405 1HD1 ILE 59 1HD1 ILE 59 6.895 -5.813 -1.459 406 2HD1 ILE 59 2HD1 ILE 59 7.094 -6.460 -3.080 407 3HD1 ILE 59 3HD1 ILE 59 6.815 -7.550 -1.730 408 H LYS 60 HN LYS 60 5.160 -9.889 -5.720 409 HA LYS 60 HA LYS 60 5.473 -8.827 -8.310 410 1HB LYS 60 HB2 LYS 60 4.971 -11.507 -7.199 411 2HB LYS 60 HB1 LYS 60 4.283 -11.282 -8.804 412 1HG LYS 60 HG2 LYS 60 6.458 -10.656 -9.675 413 2HG LYS 60 HG1 LYS 60 7.158 -10.797 -8.062 414 1HD LYS 60 HD2 LYS 60 7.720 -12.843 -8.911 415 2HD LYS 60 HD1 LYS 60 6.148 -13.227 -8.206 416 1HE LYS 60 HE2 LYS 60 5.447 -12.372 -10.699 417 2HE LYS 60 HE1 LYS 60 6.996 -13.155 -11.012 418 1HZ LYS 60 HZ1 LYS 60 5.399 -14.745 -9.290 419 2HZ LYS 60 HZ2 LYS 60 6.057 -15.135 -10.797 420 3HZ LYS 60 HZ3 LYS 60 4.548 -14.381 -10.706 421 H GLY 61 HN GLY 61 2.711 -10.292 -6.754 422 1HA GLY 61 HA2 GLY 61 0.536 -9.169 -6.691 423 2HA GLY 61 HA1 GLY 61 0.863 -8.626 -8.334 424 H HIS 62 HN HIS 62 1.384 -11.717 -6.800 425 HA HIS 62 HA HIS 62 -0.490 -12.941 -8.731 426 1HB HIS 62 HB2 HIS 62 0.996 -14.919 -8.812 427 2HB HIS 62 HB1 HIS 62 1.753 -13.461 -9.437 428 HD2 HIS 62 HD2 HIS 62 2.287 -12.861 -5.891 429 HE1 HIS 62 HE1 HIS 62 5.365 -15.603 -6.882 430 HE2 HIS 62 HE2 HIS 62 4.607 -13.813 -5.280 431 H LYS 63 HN LYS 63 0.356 -12.622 -5.451 432 HA LYS 63 HA LYS 63 -1.400 -14.889 -4.783 433 1HB LYS 63 HB2 LYS 63 0.950 -13.791 -3.243 434 2HB LYS 63 HB1 LYS 63 -0.186 -14.969 -2.603 435 1HG LYS 63 HG2 LYS 63 0.693 -15.982 -5.067 436 2HG LYS 63 HG1 LYS 63 2.123 -15.387 -4.222 437 1HD LYS 63 HD2 LYS 63 1.973 -16.947 -2.589 438 2HD LYS 63 HD1 LYS 63 0.208 -16.929 -2.590 439 1HE LYS 63 HE2 LYS 63 0.600 -18.033 -4.978 440 2HE LYS 63 HE1 LYS 63 2.099 -18.544 -4.206 441 1HZ LYS 63 HZ1 LYS 63 -0.663 -19.293 -3.583 442 2HZ LYS 63 HZ2 LYS 63 0.450 -19.235 -2.311 443 3HZ LYS 63 HZ3 LYS 63 0.730 -20.253 -3.632 444 H ALA 64 HN ALA 64 -3.214 -13.446 -4.927 445 HA ALA 64 HA ALA 64 -3.507 -11.090 -3.439 446 1HB ALA 64 HB1 ALA 64 -5.020 -12.429 -5.265 447 2HB ALA 64 HB2 ALA 64 -5.565 -11.036 -4.331 448 3HB ALA 64 HB3 ALA 64 -5.948 -12.668 -3.786 449 H GLY 65 HN GLY 65 -2.867 -11.235 -1.301 450 1HA GLY 65 HA2 GLY 65 -3.739 -11.415 0.927 451 2HA GLY 65 HA1 GLY 65 -4.629 -12.841 0.425 452 H GLU 66 HN GLU 66 -1.233 -12.216 -0.237 453 HA GLU 66 HA GLU 66 -0.547 -14.658 1.226 454 1HB GLU 66 HB2 GLU 66 0.087 -14.434 -1.156 455 2HB GLU 66 HB1 GLU 66 1.108 -13.071 -0.739 456 1HG GLU 66 HG2 GLU 66 2.491 -14.981 -0.984 457 2HG GLU 66 HG1 GLU 66 2.414 -14.599 0.732 458 H GLU 67 HN GLU 67 1.548 -14.695 2.383 459 HA GLU 67 HA GLU 67 2.237 -12.100 3.590 460 1HB GLU 67 HB2 GLU 67 2.584 -13.316 5.756 461 2HB GLU 67 HB1 GLU 67 0.908 -13.228 5.238 462 1HG GLU 67 HG2 GLU 67 1.784 -15.596 4.141 463 2HG GLU 67 HG1 GLU 67 2.599 -15.539 5.704 464 H PHE 68 HN PHE 68 4.207 -11.696 2.790 465 HA PHE 68 HA PHE 68 6.296 -13.747 3.112 466 1HB PHE 68 HB2 PHE 68 7.199 -13.065 0.869 467 2HB PHE 68 HB1 PHE 68 5.647 -13.905 0.797 468 HD1 PHE 68 HD1 PHE 68 3.696 -12.828 0.015 469 HD2 PHE 68 HD2 PHE 68 7.290 -10.629 0.571 470 HE1 PHE 68 HE1 PHE 68 2.703 -10.922 -1.165 471 HE2 PHE 68 HE2 PHE 68 6.302 -8.715 -0.615 472 HZ PHE 68 HZ PHE 68 4.004 -8.862 -1.489 473 H THR 69 HN THR 69 8.518 -12.786 2.828 474 HA THR 69 HA THR 69 8.580 -9.971 3.681 475 HB THR 69 HB THR 69 10.367 -12.179 4.714 476 HG1 THR 69 HG1 THR 69 8.028 -11.008 5.728 477 1HG2 THR 69 1HG2 THR 69 10.917 -10.490 6.481 478 2HG2 THR 69 2HG2 THR 69 10.156 -9.279 5.451 479 3HG2 THR 69 3HG2 THR 69 11.573 -10.158 4.878 480 H ILE 70 HN ILE 70 9.897 -8.662 2.493 481 HA ILE 70 HA ILE 70 12.104 -9.950 1.035 482 HB ILE 70 HB ILE 70 11.641 -8.774 -1.004 483 1HG1 ILE 70 2HG1 ILE 70 10.668 -6.731 0.016 484 2HG1 ILE 70 1HG1 ILE 70 9.708 -7.340 -1.327 485 1HG2 ILE 70 1HG2 ILE 70 10.042 -10.813 0.011 486 2HG2 ILE 70 2HG2 ILE 70 10.264 -10.374 -1.681 487 3HG2 ILE 70 3HG2 ILE 70 8.921 -9.694 -0.763 488 1HD1 ILE 70 1HD1 ILE 70 8.985 -6.933 1.435 489 2HD1 ILE 70 2HD1 ILE 70 8.607 -8.568 0.888 490 3HD1 ILE 70 3HD1 ILE 70 7.958 -7.175 0.019 491 H ASP 71 HN ASP 71 13.655 -8.312 0.149 492 HA ASP 71 HA ASP 71 14.028 -6.193 2.132 493 1HB ASP 71 HB2 ASP 71 16.329 -6.056 1.127 494 2HB ASP 71 HB1 ASP 71 15.959 -7.620 1.848 495 H VAL 72 HN VAL 72 14.323 -3.992 1.443 496 HA VAL 72 HA VAL 72 13.965 -3.456 -1.396 497 HB VAL 72 HB VAL 72 12.233 -1.660 -0.795 498 1HG1 VAL 72 1HG1 VAL 72 11.574 -4.594 -0.819 499 2HG1 VAL 72 2HG1 VAL 72 11.641 -3.487 -2.190 500 3HG1 VAL 72 3HG1 VAL 72 10.366 -3.316 -0.981 501 1HG2 VAL 72 1HG2 VAL 72 11.927 -3.478 1.589 502 2HG2 VAL 72 2HG2 VAL 72 10.774 -2.235 1.103 503 3HG2 VAL 72 3HG2 VAL 72 12.400 -1.778 1.610 504 H THR 73 HN THR 73 14.997 -1.632 -2.071 505 HA THR 73 HA THR 73 15.753 0.391 -0.145 506 HB THR 73 HB THR 73 17.710 -1.333 -1.665 507 HG1 THR 73 HG1 THR 73 17.281 -1.877 0.496 508 1HG2 THR 73 1HG2 THR 73 17.976 1.520 -1.070 509 2HG2 THR 73 2HG2 THR 73 18.866 0.501 -2.201 510 3HG2 THR 73 3HG2 THR 73 19.306 0.514 -0.493 511 H PHE 74 HN PHE 74 15.402 2.328 -1.087 512 HA PHE 74 HA PHE 74 14.786 2.373 -3.904 513 1HB PHE 74 HB2 PHE 74 14.541 4.386 -1.686 514 2HB PHE 74 HB1 PHE 74 14.171 4.775 -3.366 515 HD1 PHE 74 HD1 PHE 74 13.450 1.938 -1.032 516 HD2 PHE 74 HD2 PHE 74 11.962 4.732 -3.858 517 HE1 PHE 74 HE1 PHE 74 11.201 0.959 -0.804 518 HE2 PHE 74 HE2 PHE 74 9.705 3.771 -3.641 519 HZ PHE 74 HZ PHE 74 9.322 1.881 -2.110 520 HA PRO 75 HA PRO 75 18.851 3.695 -5.098 521 1HB PRO 75 HB2 PRO 75 18.228 4.524 -7.620 522 2HB PRO 75 HB1 PRO 75 18.444 2.828 -7.172 523 1HG PRO 75 HG2 PRO 75 15.919 4.395 -7.511 524 2HG PRO 75 HG1 PRO 75 16.286 2.735 -8.017 525 1HD PRO 75 HD2 PRO 75 14.841 3.292 -5.805 526 2HD PRO 75 HD1 PRO 75 15.909 1.878 -5.913 527 H GLU 76 HN GLU 76 19.748 5.654 -6.410 528 HA GLU 76 HA GLU 76 19.015 8.006 -4.952 529 1HB GLU 76 HB2 GLU 76 21.361 7.210 -5.792 530 2HB GLU 76 HB1 GLU 76 20.900 8.032 -7.277 531 1HG GLU 76 HG2 GLU 76 20.521 10.094 -5.950 532 2HG GLU 76 HG1 GLU 76 21.149 9.246 -4.537 533 H GLU 77 HN GLU 77 17.799 6.600 -7.713 534 HA GLU 77 HA GLU 77 17.213 9.075 -9.112 535 1HB GLU 77 HB2 GLU 77 16.046 6.416 -9.839 536 2HB GLU 77 HB1 GLU 77 16.476 7.756 -10.889 537 1HG GLU 77 HG2 GLU 77 18.884 7.033 -9.777 538 2HG GLU 77 HG1 GLU 77 18.059 5.490 -9.995 539 H TYR 78 HN TYR 78 15.568 6.648 -7.167 540 HA TYR 78 HA TYR 78 12.923 7.555 -7.571 541 1HB TYR 78 HB2 TYR 78 13.930 5.401 -6.353 542 2HB TYR 78 HB1 TYR 78 13.691 6.401 -4.929 543 HD1 TYR 78 HD1 TYR 78 12.150 4.264 -7.331 544 HD2 TYR 78 HD2 TYR 78 11.343 7.293 -4.454 545 HE1 TYR 78 HE1 TYR 78 9.789 3.586 -7.292 546 HE2 TYR 78 HE2 TYR 78 8.979 6.624 -4.407 547 HH TYR 78 HH TYR 78 7.845 3.795 -5.481 548 H HIS 79 HN HIS 79 14.795 7.882 -4.581 549 HA HIS 79 HA HIS 79 14.545 9.363 -2.861 550 1HB HIS 79 HB2 HIS 79 15.411 10.893 -5.277 551 2HB HIS 79 HB1 HIS 79 15.229 11.711 -3.725 552 HD2 HIS 79 HD2 HIS 79 16.561 8.146 -3.347 553 HE1 HIS 79 HE1 HIS 79 19.908 10.757 -3.157 554 HE2 HIS 79 HE2 HIS 79 19.093 8.391 -2.859 555 H ALA 80 HN ALA 80 12.110 8.857 -2.942 556 HA ALA 80 HA ALA 80 10.408 10.994 -3.860 557 1HB ALA 80 HB1 ALA 80 8.591 9.680 -3.103 558 2HB ALA 80 HB2 ALA 80 9.627 8.731 -2.037 559 3HB ALA 80 HB3 ALA 80 9.762 8.551 -3.787 560 H GLU 81 HN GLU 81 9.176 12.377 -2.544 561 HA GLU 81 HA GLU 81 10.518 13.531 -0.386 562 1HB GLU 81 HB2 GLU 81 8.645 14.461 -1.936 563 2HB GLU 81 HB1 GLU 81 7.553 13.811 -0.720 564 1HG GLU 81 HG2 GLU 81 7.799 15.699 0.403 565 2HG GLU 81 HG1 GLU 81 9.470 15.230 0.718 566 H ASN 82 HN ASN 82 8.578 10.723 -0.416 567 HA ASN 82 HA ASN 82 7.894 10.990 2.405 568 1HB ASN 82 HB2 ASN 82 7.138 8.430 1.309 569 2HB ASN 82 HB1 ASN 82 6.123 9.704 1.970 570 1HD2 ASN 82 1HD2 ASN 82 7.868 8.755 -0.954 571 2HD2 ASN 82 2HD2 ASN 82 6.736 9.445 -2.063 572 H LEU 83 HN LEU 83 9.683 8.699 0.319 573 HA LEU 83 HA LEU 83 11.201 7.931 2.714 574 1HB LEU 83 HB2 LEU 83 11.039 5.620 2.263 575 2HB LEU 83 HB1 LEU 83 9.414 6.268 2.214 576 HG LEU 83 HG LEU 83 9.310 4.905 0.398 577 1HD1 LEU 83 1HD1 LEU 83 10.588 7.343 -0.822 578 2HD1 LEU 83 2HD1 LEU 83 8.873 7.084 -0.520 579 3HD1 LEU 83 3HD1 LEU 83 9.716 6.098 -1.714 580 1HD2 LEU 83 1HD2 LEU 83 11.065 4.035 -0.784 581 2HD2 LEU 83 2HD2 LEU 83 11.783 4.321 0.793 582 3HD2 LEU 83 3HD2 LEU 83 12.086 5.444 -0.534 583 H LYS 84 HN LYS 84 11.815 9.631 0.335 584 HA LYS 84 HA LYS 84 13.350 8.714 -1.621 585 1HB LYS 84 HB2 LYS 84 14.943 10.630 -1.244 586 2HB LYS 84 HB1 LYS 84 13.244 11.059 -1.327 587 1HG LYS 84 HG2 LYS 84 13.172 11.144 1.134 588 2HG LYS 84 HG1 LYS 84 14.900 10.787 1.171 589 1HD LYS 84 HD2 LYS 84 14.697 13.140 1.383 590 2HD LYS 84 HD1 LYS 84 15.230 12.832 -0.272 591 1HE LYS 84 HE2 LYS 84 12.913 13.052 -1.048 592 2HE LYS 84 HE1 LYS 84 12.397 13.385 0.605 593 1HZ LYS 84 HZ1 LYS 84 13.868 15.089 -1.265 594 2HZ LYS 84 HZ2 LYS 84 14.216 15.248 0.383 595 3HZ LYS 84 HZ3 LYS 84 12.638 15.493 -0.174 596 H GLY 85 HN GLY 85 14.998 7.418 -1.966 597 1HA GLY 85 HA2 GLY 85 16.701 5.933 -1.552 598 2HA GLY 85 HA1 GLY 85 17.424 7.299 -0.724 599 H LYS 86 HN LYS 86 14.748 5.042 -0.009 600 HA LYS 86 HA LYS 86 15.803 4.817 2.710 601 1HB LYS 86 HB2 LYS 86 13.270 5.244 1.921 602 2HB LYS 86 HB1 LYS 86 13.255 3.491 2.028 603 1HG LYS 86 HG2 LYS 86 12.504 4.388 4.096 604 2HG LYS 86 HG1 LYS 86 14.102 3.687 4.350 605 1HD LYS 86 HD2 LYS 86 14.213 5.722 5.478 606 2HD LYS 86 HD1 LYS 86 14.969 6.077 3.925 607 1HE LYS 86 HE2 LYS 86 13.231 7.376 3.216 608 2HE LYS 86 HE1 LYS 86 12.040 6.490 4.168 609 1HZ LYS 86 HZ1 LYS 86 13.619 7.625 6.055 610 2HZ LYS 86 HZ2 LYS 86 12.129 8.233 5.533 611 3HZ LYS 86 HZ3 LYS 86 13.564 8.823 4.861 612 H ALA 87 HN ALA 87 17.501 3.362 2.405 613 HA ALA 87 HA ALA 87 17.056 0.796 1.168 614 1HB ALA 87 HB1 ALA 87 19.289 2.158 1.444 615 2HB ALA 87 HB2 ALA 87 19.306 0.393 1.495 616 3HB ALA 87 HB3 ALA 87 19.361 1.320 2.995 617 H ALA 88 HN ALA 88 15.441 -0.302 2.263 618 HA ALA 88 HA ALA 88 16.020 -0.931 5.076 619 1HB ALA 88 HB1 ALA 88 14.112 0.830 4.393 620 2HB ALA 88 HB2 ALA 88 14.037 -0.177 5.836 621 3HB ALA 88 HB3 ALA 88 13.179 -0.665 4.375 622 H LYS 89 HN LYS 89 14.142 -2.456 5.811 623 HA LYS 89 HA LYS 89 13.937 -4.735 3.953 624 1HB LYS 89 HB2 LYS 89 14.733 -4.699 6.862 625 2HB LYS 89 HB1 LYS 89 14.002 -6.130 6.146 626 1HG LYS 89 HG2 LYS 89 15.901 -6.729 5.157 627 2HG LYS 89 HG1 LYS 89 16.203 -5.097 4.557 628 1HD LYS 89 HD2 LYS 89 16.564 -5.407 7.451 629 2HD LYS 89 HD1 LYS 89 17.679 -6.365 6.473 630 1HE LYS 89 HE2 LYS 89 17.936 -4.109 5.148 631 2HE LYS 89 HE1 LYS 89 17.373 -3.406 6.664 632 1HZ LYS 89 HZ1 LYS 89 19.564 -3.453 7.126 633 2HZ LYS 89 HZ2 LYS 89 19.897 -4.713 6.046 634 3HZ LYS 89 HZ3 LYS 89 19.242 -5.055 7.568 635 H PHE 90 HN PHE 90 11.887 -5.745 3.968 636 HA PHE 90 HA PHE 90 9.941 -4.766 5.927 637 1HB PHE 90 HB2 PHE 90 9.380 -4.886 2.962 638 2HB PHE 90 HB1 PHE 90 8.196 -4.546 4.214 639 HD1 PHE 90 HD1 PHE 90 8.359 -2.854 1.997 640 HD2 PHE 90 HD2 PHE 90 10.696 -2.793 5.525 641 HE1 PHE 90 HE1 PHE 90 8.721 -0.419 1.715 642 HE2 PHE 90 HE2 PHE 90 11.079 -0.377 5.263 643 HZ PHE 90 HZ PHE 90 10.086 0.816 3.349 644 H ALA 91 HN ALA 91 8.049 -6.113 6.156 645 HA ALA 91 HA ALA 91 8.280 -8.781 4.968 646 1HB ALA 91 HB1 ALA 91 6.892 -9.226 7.265 647 2HB ALA 91 HB2 ALA 91 8.001 -7.963 7.800 648 3HB ALA 91 HB3 ALA 91 8.635 -9.463 7.120 649 H ILE 92 HN ILE 92 6.795 -8.580 3.442 650 HA ILE 92 HA ILE 92 4.403 -6.995 3.926 651 HB ILE 92 HB ILE 92 5.434 -8.169 1.361 652 1HG1 ILE 92 2HG1 ILE 92 6.111 -5.653 2.819 653 2HG1 ILE 92 1HG1 ILE 92 7.148 -6.748 1.950 654 1HG2 ILE 92 1HG2 ILE 92 4.042 -6.360 0.340 655 2HG2 ILE 92 2HG2 ILE 92 3.339 -6.099 1.937 656 3HG2 ILE 92 3HG2 ILE 92 3.143 -7.655 1.128 657 1HD1 ILE 92 1HD1 ILE 92 5.719 -4.384 1.031 658 2HD1 ILE 92 2HD1 ILE 92 5.596 -5.770 -0.050 659 3HD1 ILE 92 3HD1 ILE 92 7.182 -5.146 0.406 660 H ASN 93 HN ASN 93 2.396 -7.573 3.029 661 HA ASN 93 HA ASN 93 1.826 -10.419 2.715 662 1HB ASN 93 HB2 ASN 93 1.253 -9.830 5.045 663 2HB ASN 93 HB1 ASN 93 0.224 -8.535 4.455 664 1HD2 ASN 93 1HD2 ASN 93 -1.568 -9.197 3.019 665 2HD2 ASN 93 2HD2 ASN 93 -2.364 -10.691 3.358 666 H LEU 94 HN LEU 94 1.266 -10.394 0.594 667 HA LEU 94 HA LEU 94 0.135 -8.197 -0.747 668 1HB LEU 94 HB2 LEU 94 1.412 -10.130 -1.743 669 2HB LEU 94 HB1 LEU 94 -0.062 -11.066 -1.623 670 HG LEU 94 HG LEU 94 -1.169 -9.335 -3.078 671 1HD1 LEU 94 1HD1 LEU 94 1.479 -8.142 -2.791 672 2HD1 LEU 94 2HD1 LEU 94 -0.054 -7.407 -3.264 673 3HD1 LEU 94 3HD1 LEU 94 0.927 -8.249 -4.462 674 1HD2 LEU 94 1HD2 LEU 94 -0.798 -10.885 -4.619 675 2HD2 LEU 94 2HD2 LEU 94 0.640 -11.435 -3.761 676 3HD2 LEU 94 3HD2 LEU 94 0.768 -10.150 -4.961 677 H LYS 95 HN LYS 95 -1.937 -8.029 -1.810 678 HA LYS 95 HA LYS 95 -4.092 -9.650 -0.768 679 1HB LYS 95 HB2 LYS 95 -4.115 -6.663 -0.307 680 2HB LYS 95 HB1 LYS 95 -5.364 -7.808 0.156 681 1HG LYS 95 HG2 LYS 95 -3.824 -8.868 1.720 682 2HG LYS 95 HG1 LYS 95 -2.558 -7.733 1.246 683 1HD LYS 95 HD2 LYS 95 -3.549 -6.975 3.300 684 2HD LYS 95 HD1 LYS 95 -4.018 -5.873 2.003 685 1HE LYS 95 HE2 LYS 95 -6.174 -6.272 2.369 686 2HE LYS 95 HE1 LYS 95 -5.924 -8.011 2.227 687 1HZ LYS 95 HZ1 LYS 95 -6.582 -6.626 4.505 688 2HZ LYS 95 HZ2 LYS 95 -4.953 -7.030 4.714 689 3HZ LYS 95 HZ3 LYS 95 -6.092 -8.244 4.412 690 H LYS 96 HN LYS 96 -5.186 -6.606 -1.780 691 HA LYS 96 HA LYS 96 -6.379 -7.716 -4.090 692 1HB LYS 96 HB2 LYS 96 -6.430 -5.125 -2.692 693 2HB LYS 96 HB1 LYS 96 -6.783 -5.057 -4.414 694 1HG LYS 96 HG2 LYS 96 -8.879 -5.521 -3.827 695 2HG LYS 96 HG1 LYS 96 -8.308 -7.172 -3.586 696 1HD LYS 96 HD2 LYS 96 -7.667 -6.299 -1.210 697 2HD LYS 96 HD1 LYS 96 -8.847 -5.035 -1.569 698 1HE LYS 96 HE2 LYS 96 -10.505 -6.819 -2.082 699 2HE LYS 96 HE1 LYS 96 -9.322 -8.012 -1.543 700 1HZ LYS 96 HZ1 LYS 96 -9.665 -7.507 0.606 701 2HZ LYS 96 HZ2 LYS 96 -11.150 -6.913 0.051 702 3HZ LYS 96 HZ3 LYS 96 -9.861 -5.850 0.316 703 H VAL 97 HN VAL 97 -5.134 -8.279 -5.763 704 HA VAL 97 HA VAL 97 -3.264 -6.308 -6.880 705 HB VAL 97 HB VAL 97 -2.044 -8.272 -6.465 706 1HG1 VAL 97 1HG1 VAL 97 -3.176 -10.465 -7.649 707 2HG1 VAL 97 2HG1 VAL 97 -4.576 -9.631 -6.977 708 3HG1 VAL 97 3HG1 VAL 97 -3.234 -10.090 -5.927 709 1HG2 VAL 97 1HG2 VAL 97 -2.328 -7.404 -9.018 710 2HG2 VAL 97 2HG2 VAL 97 -2.699 -9.118 -9.202 711 3HG2 VAL 97 3HG2 VAL 97 -1.157 -8.619 -8.507 712 H GLU 98 HN GLU 98 -4.140 -5.184 -8.517 713 HA GLU 98 HA GLU 98 -5.706 -6.613 -10.542 714 1HB GLU 98 HB2 GLU 98 -6.605 -4.012 -9.299 715 2HB GLU 98 HB1 GLU 98 -7.441 -4.911 -10.555 716 1HG GLU 98 HG2 GLU 98 -8.078 -6.607 -9.081 717 2HG GLU 98 HG1 GLU 98 -6.888 -6.125 -7.874 718 H GLU 99 HN GLU 99 -6.042 -5.248 -12.548 719 HA GLU 99 HA GLU 99 -3.549 -3.879 -13.175 720 1HB GLU 99 HB2 GLU 99 -4.368 -5.642 -14.686 721 2HB GLU 99 HB1 GLU 99 -5.805 -4.682 -15.004 722 1HG GLU 99 HG2 GLU 99 -3.661 -2.976 -15.522 723 2HG GLU 99 HG1 GLU 99 -3.193 -4.531 -16.205 724 H ARG 100 HN ARG 100 -3.717 -1.839 -12.301 725 HA ARG 100 HA ARG 100 -5.986 -0.158 -12.660 726 1HB ARG 100 HB2 ARG 100 -4.569 1.617 -11.788 727 2HB ARG 100 HB1 ARG 100 -4.366 0.152 -10.840 728 1HG ARG 100 HG2 ARG 100 -2.180 0.170 -11.200 729 2HG ARG 100 HG1 ARG 100 -2.437 0.171 -12.944 730 1HD ARG 100 HD2 ARG 100 -2.946 2.758 -11.683 731 2HD ARG 100 HD1 ARG 100 -1.287 2.198 -11.496 732 HE ARG 100 HE ARG 100 -2.658 2.659 -14.061 733 1HH1 ARG 100 1HH1 ARG 100 0.294 2.257 -12.221 734 2HH1 ARG 100 2HH1 ARG 100 1.315 2.695 -13.546 735 1HH2 ARG 100 1HH2 ARG 100 -1.303 3.228 -15.792 736 2HH2 ARG 100 2HH2 ARG 100 0.414 3.243 -15.568 737 H GLU 101 HN GLU 101 -6.504 1.207 -14.280 738 HA GLU 101 HA GLU 101 -4.556 2.179 -16.151 739 1HB GLU 101 HB2 GLU 101 -4.980 -0.136 -16.975 740 2HB GLU 101 HB1 GLU 101 -6.674 0.288 -17.185 741 1HG GLU 101 HG2 GLU 101 -5.568 2.256 -18.606 742 2HG GLU 101 HG1 GLU 101 -4.315 1.032 -18.793 743 H LEU 102 HN LEU 102 -5.574 4.057 -15.091 744 HA LEU 102 HA LEU 102 -8.301 4.685 -15.651 745 1HB LEU 102 HB2 LEU 102 -5.995 6.258 -14.546 746 2HB LEU 102 HB1 LEU 102 -7.553 7.000 -14.857 747 HG LEU 102 HG LEU 102 -8.632 5.629 -13.226 748 1HD1 LEU 102 1HD1 LEU 102 -7.376 3.926 -11.936 749 2HD1 LEU 102 2HD1 LEU 102 -6.019 4.137 -13.042 750 3HD1 LEU 102 3HD1 LEU 102 -7.557 3.516 -13.642 751 1HD2 LEU 102 1HD2 LEU 102 -6.027 6.821 -12.344 752 2HD2 LEU 102 2HD2 LEU 102 -7.142 6.088 -11.191 753 3HD2 LEU 102 3HD2 LEU 102 -7.660 7.465 -12.165 754 HA PRO 103 HA PRO 103 -6.426 7.800 -18.849 755 1HB PRO 103 HB2 PRO 103 -3.884 7.264 -19.702 756 2HB PRO 103 HB1 PRO 103 -4.262 8.396 -18.399 757 1HG PRO 103 HG2 PRO 103 -3.351 5.552 -18.234 758 2HG PRO 103 HG1 PRO 103 -2.846 6.948 -17.265 759 1HD PRO 103 HD2 PRO 103 -4.600 5.126 -16.346 760 2HD PRO 103 HD1 PRO 103 -4.713 6.841 -15.910 761 H GLU 104 HN GLU 104 -7.116 7.429 -20.869 762 HA GLU 104 HA GLU 104 -7.437 4.768 -21.825 763 1HB GLU 104 HB2 GLU 104 -8.192 7.479 -22.710 764 2HB GLU 104 HB1 GLU 104 -7.970 6.310 -24.004 765 1HG GLU 104 HG2 GLU 104 -10.009 5.554 -23.628 766 2HG GLU 104 HG1 GLU 104 -9.489 5.017 -22.030 767 H LEU 105 HN LEU 105 -6.019 3.562 -22.882 768 HA LEU 105 HA LEU 105 -3.708 4.872 -24.131 769 1HB LEU 105 HB2 LEU 105 -4.067 2.470 -22.580 770 2HB LEU 105 HB1 LEU 105 -3.331 2.085 -24.124 771 HG LEU 105 HG LEU 105 -2.132 4.385 -22.730 772 1HD1 LEU 105 1HD1 LEU 105 -1.530 3.433 -20.813 773 2HD1 LEU 105 2HD1 LEU 105 -1.064 1.935 -21.618 774 3HD1 LEU 105 3HD1 LEU 105 -2.742 2.196 -21.144 775 1HD2 LEU 105 1HD2 LEU 105 -0.794 1.918 -23.788 776 2HD2 LEU 105 2HD2 LEU 105 -0.146 3.552 -23.637 777 3HD2 LEU 105 3HD2 LEU 105 -1.366 3.195 -24.861 778 H THR 106 HN THR 106 -3.274 4.689 -26.262 779 HA THR 106 HA THR 106 -5.066 2.997 -27.876 780 HB THR 106 HB THR 106 -3.979 5.654 -28.798 781 HG1 THR 106 HG1 THR 106 -5.626 6.646 -27.916 782 1HG2 THR 106 1HG2 THR 106 -4.998 5.226 -30.705 783 2HG2 THR 106 2HG2 THR 106 -6.525 4.965 -29.863 784 3HG2 THR 106 3HG2 THR 106 -5.411 3.619 -30.106 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -21.502 2.691 5.232 2 2H GLY 1 HT2 GLY 1 -22.641 3.508 6.179 3 3H GLY 1 HT3 GLY 1 -21.286 2.804 6.907 4 1HA GLY 1 HA1 GLY 1 -21.559 5.356 5.595 5 2HA GLY 1 HA2 GLY 1 -20.405 4.842 6.817 6 H SER 2 HN SER 2 -18.375 4.275 6.216 7 HA SER 2 HA SER 2 -16.523 4.081 4.910 8 1HB SER 2 HB2 SER 2 -18.627 2.633 3.464 9 2HB SER 2 HB1 SER 2 -17.311 3.187 2.429 10 HG SER 2 HG SER 2 -16.869 1.799 4.855 11 H HIS 3 HN HIS 3 -15.697 4.674 2.536 12 HA HIS 3 HA HIS 3 -17.002 6.791 1.186 13 1HB HIS 3 HB2 HIS 3 -15.511 7.526 3.533 14 2HB HIS 3 HB1 HIS 3 -14.730 8.199 2.107 15 HD2 HIS 3 HD2 HIS 3 -17.395 9.079 0.426 16 HE1 HIS 3 HE1 HIS 3 -18.380 11.260 3.932 17 HE2 HIS 3 HE2 HIS 3 -18.876 10.919 1.484 18 H MET 4 HN MET 4 -15.664 7.730 -0.523 19 HA MET 4 HA MET 4 -13.086 6.557 -1.052 20 1HB MET 4 HB2 MET 4 -15.132 5.009 -1.854 21 2HB MET 4 HB1 MET 4 -15.010 6.063 -3.254 22 1HG MET 4 HG2 MET 4 -12.757 5.414 -3.647 23 2HG MET 4 HG1 MET 4 -12.677 4.553 -2.111 24 1HE MET 4 HE1 MET 4 -13.595 4.221 -5.940 25 2HE MET 4 HE2 MET 4 -15.036 4.855 -5.146 26 3HE MET 4 HE3 MET 4 -15.048 3.229 -5.823 27 H GLN 5 HN GLN 5 -11.919 8.165 -1.852 28 HA GLN 5 HA GLN 5 -13.265 10.368 -3.222 29 1HB GLN 5 HB2 GLN 5 -10.686 10.051 -1.767 30 2HB GLN 5 HB1 GLN 5 -10.762 11.261 -3.039 31 1HG GLN 5 HG2 GLN 5 -13.038 11.796 -1.660 32 2HG GLN 5 HG1 GLN 5 -11.968 11.247 -0.372 33 1HE2 GLN 5 1HE2 GLN 5 -9.556 12.162 -1.109 34 2HE2 GLN 5 2HE2 GLN 5 -9.551 13.888 -1.188 35 H ALA 6 HN ALA 6 -10.278 8.461 -3.657 36 HA ALA 6 HA ALA 6 -10.107 9.206 -6.433 37 1HB ALA 6 HB1 ALA 6 -8.071 8.926 -5.153 38 2HB ALA 6 HB2 ALA 6 -8.123 7.749 -6.466 39 3HB ALA 6 HB3 ALA 6 -8.486 7.245 -4.815 40 H THR 7 HN THR 7 -10.226 7.789 -8.213 41 HA THR 7 HA THR 7 -11.828 5.364 -7.719 42 HB THR 7 HB THR 7 -12.466 5.901 -10.257 43 HG1 THR 7 HG1 THR 7 -11.753 7.794 -10.778 44 1HG2 THR 7 1HG2 THR 7 -14.012 7.702 -8.614 45 2HG2 THR 7 2HG2 THR 7 -13.790 6.131 -7.846 46 3HG2 THR 7 3HG2 THR 7 -14.502 6.233 -9.456 47 H TRP 8 HN TRP 8 -11.576 3.640 -9.312 48 HA TRP 8 HA TRP 8 -9.055 3.681 -10.796 49 1HB TRP 8 HB2 TRP 8 -9.862 1.569 -8.790 50 2HB TRP 8 HB1 TRP 8 -8.574 1.356 -9.968 51 HD1 TRP 8 HD1 TRP 8 -9.412 4.024 -7.256 52 HE1 TRP 8 HE1 TRP 8 -7.225 4.611 -6.040 53 HE3 TRP 8 HE3 TRP 8 -6.194 1.023 -9.864 54 HZ2 TRP 8 HZ2 TRP 8 -4.492 3.892 -6.163 55 HZ3 TRP 8 HZ3 TRP 8 -3.820 1.030 -9.249 56 HH2 TRP 8 HH2 TRP 8 -2.984 2.429 -7.433 57 H LYS 9 HN LYS 9 -8.948 1.323 -11.929 58 HA LYS 9 HA LYS 9 -11.578 0.510 -12.890 59 1HB LYS 9 HB2 LYS 9 -10.735 0.666 -15.277 60 2HB LYS 9 HB1 LYS 9 -11.119 2.194 -14.497 61 1HG LYS 9 HG2 LYS 9 -8.343 1.418 -14.128 62 2HG LYS 9 HG1 LYS 9 -8.790 1.582 -15.827 63 1HD LYS 9 HD2 LYS 9 -9.351 3.671 -13.727 64 2HD LYS 9 HD1 LYS 9 -7.926 3.679 -14.769 65 1HE LYS 9 HE2 LYS 9 -10.813 3.879 -15.613 66 2HE LYS 9 HE1 LYS 9 -9.579 5.133 -15.723 67 1HZ LYS 9 HZ1 LYS 9 -8.369 3.398 -17.181 68 2HZ LYS 9 HZ2 LYS 9 -9.632 4.301 -17.851 69 3HZ LYS 9 HZ3 LYS 9 -9.904 2.707 -17.355 70 H GLU 10 HN GLU 10 -9.167 -0.538 -11.392 71 HA GLU 10 HA GLU 10 -7.855 -2.443 -12.987 72 1HB GLU 10 HB2 GLU 10 -8.220 -3.009 -10.099 73 2HB GLU 10 HB1 GLU 10 -6.780 -3.135 -11.095 74 1HG GLU 10 HG2 GLU 10 -6.961 -0.525 -11.143 75 2HG GLU 10 HG1 GLU 10 -7.906 -0.779 -9.677 76 H LYS 11 HN LYS 11 -8.218 -4.521 -13.481 77 HA LYS 11 HA LYS 11 -10.878 -5.528 -13.346 78 1HB LYS 11 HB2 LYS 11 -9.886 -7.573 -14.373 79 2HB LYS 11 HB1 LYS 11 -9.462 -6.099 -15.226 80 1HG LYS 11 HG2 LYS 11 -7.273 -6.208 -14.619 81 2HG LYS 11 HG1 LYS 11 -7.598 -7.109 -13.141 82 1HD LYS 11 HD2 LYS 11 -8.034 -9.108 -14.434 83 2HD LYS 11 HD1 LYS 11 -7.830 -8.211 -15.936 84 1HE LYS 11 HE2 LYS 11 -5.481 -7.673 -15.066 85 2HE LYS 11 HE1 LYS 11 -5.757 -8.970 -13.906 86 1HZ LYS 11 HZ1 LYS 11 -4.616 -9.815 -15.828 87 2HZ LYS 11 HZ2 LYS 11 -5.805 -9.209 -16.867 88 3HZ LYS 11 HZ3 LYS 11 -6.180 -10.462 -15.794 89 H ASP 12 HN ASP 12 -10.286 -8.320 -12.783 90 HA ASP 12 HA ASP 12 -9.695 -8.155 -9.910 91 1HB ASP 12 HB2 ASP 12 -11.867 -9.784 -11.239 92 2HB ASP 12 HB1 ASP 12 -11.434 -9.886 -9.534 93 H GLY 13 HN GLY 13 -8.134 -9.032 -12.376 94 1HA GLY 13 HA2 GLY 13 -7.686 -11.849 -11.702 95 2HA GLY 13 HA1 GLY 13 -7.108 -11.031 -13.143 96 H ALA 14 HN ALA 14 -5.082 -12.111 -12.586 97 HA ALA 14 HA ALA 14 -3.640 -11.461 -10.235 98 1HB ALA 14 HB1 ALA 14 -1.754 -12.528 -11.315 99 2HB ALA 14 HB2 ALA 14 -2.577 -12.458 -12.874 100 3HB ALA 14 HB3 ALA 14 -3.218 -13.474 -11.581 101 H VAL 15 HN VAL 15 -1.155 -10.743 -10.946 102 HA VAL 15 HA VAL 15 -1.353 -7.908 -11.316 103 HB VAL 15 HB VAL 15 0.405 -8.916 -9.911 104 1HG1 VAL 15 1HG1 VAL 15 0.888 -10.880 -11.273 105 2HG1 VAL 15 2HG1 VAL 15 2.354 -9.964 -10.926 106 3HG1 VAL 15 3HG1 VAL 15 1.596 -9.847 -12.515 107 1HG2 VAL 15 1HG2 VAL 15 1.077 -6.801 -10.348 108 2HG2 VAL 15 2HG2 VAL 15 0.975 -7.007 -12.094 109 3HG2 VAL 15 3HG2 VAL 15 2.360 -7.643 -11.213 110 H GLU 16 HN GLU 16 -0.564 -6.667 -13.102 111 HA GLU 16 HA GLU 16 0.077 -8.173 -15.512 112 1HB GLU 16 HB2 GLU 16 -2.275 -6.427 -15.120 113 2HB GLU 16 HB1 GLU 16 -1.378 -6.170 -16.608 114 1HG GLU 16 HG2 GLU 16 -1.611 -8.910 -16.465 115 2HG GLU 16 HG1 GLU 16 -3.158 -8.331 -15.843 116 H ALA 17 HN ALA 17 0.954 -6.766 -17.200 117 HA ALA 17 HA ALA 17 3.275 -5.696 -16.894 118 1HB ALA 17 HB1 ALA 17 1.664 -5.446 -18.935 119 2HB ALA 17 HB2 ALA 17 3.085 -4.413 -18.785 120 3HB ALA 17 HB3 ALA 17 1.495 -3.794 -18.342 121 H GLU 18 HN GLU 18 0.760 -3.136 -16.690 122 HA GLU 18 HA GLU 18 2.392 -1.932 -14.545 123 1HB GLU 18 HB2 GLU 18 0.831 -0.656 -16.774 124 2HB GLU 18 HB1 GLU 18 1.339 0.252 -15.357 125 1HG GLU 18 HG2 GLU 18 3.483 0.335 -16.011 126 2HG GLU 18 HG1 GLU 18 3.457 -1.301 -16.668 127 H ASP 19 HN ASP 19 0.974 -3.393 -13.180 128 HA ASP 19 HA ASP 19 -1.721 -2.329 -12.764 129 1HB ASP 19 HB2 ASP 19 -0.313 -4.813 -11.809 130 2HB ASP 19 HB1 ASP 19 -1.927 -4.357 -11.282 131 H ARG 20 HN ARG 20 -2.287 -2.899 -10.234 132 HA ARG 20 HA ARG 20 -0.322 -1.699 -8.462 133 1HB ARG 20 HB2 ARG 20 -2.213 -0.081 -9.592 134 2HB ARG 20 HB1 ARG 20 -3.015 -0.572 -8.108 135 1HG ARG 20 HG2 ARG 20 -1.779 0.805 -6.903 136 2HG ARG 20 HG1 ARG 20 -0.286 0.179 -7.588 137 1HD ARG 20 HD2 ARG 20 -0.313 1.727 -9.345 138 2HD ARG 20 HD1 ARG 20 -2.018 2.099 -9.101 139 HE ARG 20 HE ARG 20 -0.532 2.794 -6.802 140 1HH1 ARG 20 1HH1 ARG 20 -1.136 3.842 -10.076 141 2HH1 ARG 20 2HH1 ARG 20 -0.828 5.510 -9.730 142 1HH2 ARG 20 1HH2 ARG 20 -0.121 4.987 -6.348 143 2HH2 ARG 20 2HH2 ARG 20 -0.251 6.161 -7.616 144 H VAL 21 HN VAL 21 -0.187 -3.169 -6.869 145 HA VAL 21 HA VAL 21 -2.505 -4.783 -6.130 146 HB VAL 21 HB VAL 21 -0.898 -6.097 -4.798 147 1HG1 VAL 21 1HG1 VAL 21 -1.322 -6.527 -7.251 148 2HG1 VAL 21 2HG1 VAL 21 0.188 -7.181 -6.608 149 3HG1 VAL 21 3HG1 VAL 21 0.202 -5.701 -7.569 150 1HG2 VAL 21 1HG2 VAL 21 0.753 -3.773 -5.239 151 2HG2 VAL 21 2HG2 VAL 21 1.583 -5.247 -5.736 152 3HG2 VAL 21 3HG2 VAL 21 0.958 -5.097 -4.093 153 H THR 22 HN THR 22 -2.683 -5.309 -3.711 154 HA THR 22 HA THR 22 -2.260 -2.877 -2.094 155 HB THR 22 HB THR 22 -4.620 -4.773 -2.003 156 HG1 THR 22 HG1 THR 22 -4.730 -3.245 -3.683 157 1HG2 THR 22 1HG2 THR 22 -4.957 -4.122 0.080 158 2HG2 THR 22 2HG2 THR 22 -5.192 -2.483 -0.524 159 3HG2 THR 22 3HG2 THR 22 -3.592 -3.004 0.014 160 H ILE 23 HN ILE 23 -0.737 -3.330 -0.617 161 HA ILE 23 HA ILE 23 -0.754 -6.032 0.571 162 HB ILE 23 HB ILE 23 1.703 -5.777 0.854 163 1HG1 ILE 23 2HG1 ILE 23 1.207 -3.343 -0.852 164 2HG1 ILE 23 1HG1 ILE 23 1.998 -3.423 0.719 165 1HG2 ILE 23 1HG2 ILE 23 2.268 -6.290 -1.487 166 2HG2 ILE 23 2HG2 ILE 23 0.665 -5.731 -1.971 167 3HG2 ILE 23 3HG2 ILE 23 0.830 -7.139 -0.931 168 1HD1 ILE 23 1HD1 ILE 23 3.969 -3.717 -0.229 169 2HD1 ILE 23 2HD1 ILE 23 3.198 -3.428 -1.788 170 3HD1 ILE 23 3HD1 ILE 23 3.368 -5.072 -1.178 171 H ASP 24 HN ASP 24 0.329 -6.207 2.635 172 HA ASP 24 HA ASP 24 0.217 -3.799 4.339 173 1HB ASP 24 HB2 ASP 24 -1.803 -5.062 4.832 174 2HB ASP 24 HB1 ASP 24 -0.901 -6.568 4.918 175 H PHE 25 HN PHE 25 2.290 -3.533 5.160 176 HA PHE 25 HA PHE 25 3.772 -5.964 5.872 177 1HB PHE 25 HB2 PHE 25 5.746 -5.316 4.704 178 2HB PHE 25 HB1 PHE 25 4.408 -5.237 3.563 179 HD1 PHE 25 HD1 PHE 25 4.088 -3.328 2.289 180 HD2 PHE 25 HD2 PHE 25 6.443 -3.099 5.831 181 HE1 PHE 25 HE1 PHE 25 4.656 -0.998 1.773 182 HE2 PHE 25 HE2 PHE 25 7.013 -0.754 5.302 183 HZ PHE 25 HZ PHE 25 6.105 0.288 3.265 184 H THR 26 HN THR 26 5.834 -5.491 6.995 185 HA THR 26 HA THR 26 5.941 -2.990 8.475 186 HB THR 26 HB THR 26 5.829 -5.561 10.038 187 HG1 THR 26 HG1 THR 26 3.612 -4.710 10.533 188 1HG2 THR 26 1HG2 THR 26 6.694 -3.261 10.935 189 2HG2 THR 26 2HG2 THR 26 5.657 -4.290 11.924 190 3HG2 THR 26 3HG2 THR 26 4.971 -2.909 11.067 191 H GLY 27 HN GLY 27 8.021 -2.406 8.361 192 1HA GLY 27 HA2 GLY 27 10.098 -4.250 9.168 193 2HA GLY 27 HA1 GLY 27 10.151 -3.818 7.472 194 H SER 28 HN SER 28 12.285 -3.274 9.012 195 HA SER 28 HA SER 28 12.134 -0.372 9.552 196 1HB SER 28 HB2 SER 28 14.580 -1.528 10.514 197 2HB SER 28 HB1 SER 28 13.272 -0.799 11.438 198 HG SER 28 HG SER 28 12.355 -2.747 11.727 199 H VAL 29 HN VAL 29 14.389 0.682 9.244 200 HA VAL 29 HA VAL 29 15.384 -0.108 6.610 201 HB VAL 29 HB VAL 29 14.448 2.019 6.340 202 1HG1 VAL 29 1HG1 VAL 29 14.104 3.469 7.970 203 2HG1 VAL 29 2HG1 VAL 29 15.837 3.664 8.232 204 3HG1 VAL 29 3HG1 VAL 29 14.958 2.385 9.065 205 1HG2 VAL 29 1HG2 VAL 29 16.941 3.355 6.639 206 2HG2 VAL 29 2HG2 VAL 29 16.179 2.744 5.171 207 3HG2 VAL 29 3HG2 VAL 29 17.249 1.703 6.106 208 H ASP 30 HN ASP 30 16.874 1.976 9.102 209 HA ASP 30 HA ASP 30 19.339 0.455 8.741 210 1HB ASP 30 HB2 ASP 30 19.186 3.036 8.670 211 2HB ASP 30 HB1 ASP 30 19.053 2.934 10.423 212 H GLY 31 HN GLY 31 17.205 -0.793 10.154 213 1HA GLY 31 HA2 GLY 31 17.411 -2.299 11.975 214 2HA GLY 31 HA1 GLY 31 18.555 -1.196 12.723 215 H GLU 32 HN GLU 32 16.277 0.839 11.731 216 HA GLU 32 HA GLU 32 14.496 0.416 14.025 217 1HB GLU 32 HB2 GLU 32 15.817 3.022 13.250 218 2HB GLU 32 HB1 GLU 32 14.560 2.858 14.466 219 1HG GLU 32 HG2 GLU 32 17.056 1.246 14.702 220 2HG GLU 32 HG1 GLU 32 17.065 2.949 15.161 221 H GLU 33 HN GLU 33 12.505 0.235 13.284 222 HA GLU 33 HA GLU 33 11.696 0.852 10.696 223 1HB GLU 33 HB2 GLU 33 9.395 0.441 11.551 224 2HB GLU 33 HB1 GLU 33 10.535 -0.830 11.958 225 1HG GLU 33 HG2 GLU 33 10.572 -0.262 14.198 226 2HG GLU 33 HG1 GLU 33 9.985 1.371 13.898 227 H PHE 34 HN PHE 34 11.383 2.755 9.795 228 HA PHE 34 HA PHE 34 11.105 5.128 11.363 229 1HB PHE 34 HB2 PHE 34 11.495 6.281 9.329 230 2HB PHE 34 HB1 PHE 34 12.550 4.876 9.329 231 HD1 PHE 34 HD1 PHE 34 10.780 2.726 8.382 232 HD2 PHE 34 HD2 PHE 34 11.048 6.790 7.144 233 HE1 PHE 34 HE1 PHE 34 9.903 2.107 6.177 234 HE2 PHE 34 HE2 PHE 34 10.167 6.172 4.932 235 HZ PHE 34 HZ PHE 34 9.592 3.831 4.449 236 H GLU 35 HN GLU 35 9.560 6.205 8.927 237 HA GLU 35 HA GLU 35 7.007 6.306 10.194 238 1HB GLU 35 HB2 GLU 35 8.091 7.323 7.574 239 2HB GLU 35 HB1 GLU 35 6.380 7.435 7.955 240 1HG GLU 35 HG2 GLU 35 6.832 8.820 9.856 241 2HG GLU 35 HG1 GLU 35 8.569 8.591 9.663 242 H GLY 36 HN GLY 36 8.192 4.938 7.127 243 1HA GLY 36 HA2 GLY 36 5.725 3.517 6.652 244 2HA GLY 36 HA1 GLY 36 7.185 3.431 5.679 245 H GLY 37 HN GLY 37 7.760 2.940 8.993 246 1HA GLY 37 HA2 GLY 37 8.769 0.376 8.675 247 2HA GLY 37 HA1 GLY 37 8.327 1.100 10.210 248 H LYS 38 HN LYS 38 5.518 1.329 8.785 249 HA LYS 38 HA LYS 38 4.686 -1.434 8.817 250 1HB LYS 38 HB2 LYS 38 2.965 -1.086 10.549 251 2HB LYS 38 HB1 LYS 38 4.595 -0.927 11.187 252 1HG LYS 38 HG2 LYS 38 4.233 1.160 11.854 253 2HG LYS 38 HG1 LYS 38 3.527 1.617 10.304 254 1HD LYS 38 HD2 LYS 38 1.885 -0.100 12.072 255 2HD LYS 38 HD1 LYS 38 2.128 1.571 12.583 256 1HE LYS 38 HE2 LYS 38 1.243 0.879 9.798 257 2HE LYS 38 HE1 LYS 38 0.091 1.050 11.120 258 1HZ LYS 38 HZ1 LYS 38 0.163 3.145 10.160 259 2HZ LYS 38 HZ2 LYS 38 1.838 3.105 9.924 260 3HZ LYS 38 HZ3 LYS 38 1.210 3.304 11.481 261 H ALA 39 HN ALA 39 3.255 -1.695 7.268 262 HA ALA 39 HA ALA 39 1.439 0.510 6.591 263 1HB ALA 39 HB1 ALA 39 3.391 -0.855 4.819 264 2HB ALA 39 HB2 ALA 39 2.792 0.804 4.785 265 3HB ALA 39 HB3 ALA 39 1.795 -0.505 4.149 266 H SER 40 HN SER 40 -0.598 -0.111 5.928 267 HA SER 40 HA SER 40 -1.179 -2.976 6.242 268 1HB SER 40 HB2 SER 40 -3.083 -0.665 6.668 269 2HB SER 40 HB1 SER 40 -3.388 -2.365 7.027 270 HG SER 40 HG SER 40 -1.354 -0.801 8.239 271 H ASP 41 HN ASP 41 -2.543 -0.109 4.610 272 HA ASP 41 HA ASP 41 -3.330 -1.810 2.387 273 1HB ASP 41 HB2 ASP 41 -4.833 0.063 1.765 274 2HB ASP 41 HB1 ASP 41 -5.195 -0.569 3.368 275 H PHE 42 HN PHE 42 -0.946 -1.723 1.896 276 HA PHE 42 HA PHE 42 -0.034 0.855 0.885 277 1HB PHE 42 HB2 PHE 42 1.525 -0.622 2.180 278 2HB PHE 42 HB1 PHE 42 1.438 -1.786 0.867 279 HD1 PHE 42 HD1 PHE 42 3.642 -1.804 0.036 280 HD2 PHE 42 HD2 PHE 42 1.639 1.906 0.631 281 HE1 PHE 42 HE1 PHE 42 5.464 -0.639 -1.123 282 HE2 PHE 42 HE2 PHE 42 3.468 3.077 -0.524 283 HZ PHE 42 HZ PHE 42 5.382 1.805 -1.402 284 H VAL 43 HN VAL 43 -0.780 1.403 -1.053 285 HA VAL 43 HA VAL 43 -1.502 -0.602 -2.995 286 HB VAL 43 HB VAL 43 -1.495 2.398 -3.287 287 1HG1 VAL 43 1HG1 VAL 43 -3.565 1.229 -4.763 288 2HG1 VAL 43 2HG1 VAL 43 -2.143 0.225 -5.058 289 3HG1 VAL 43 3HG1 VAL 43 -2.084 1.958 -5.382 290 1HG2 VAL 43 1HG2 VAL 43 -2.978 2.263 -1.581 291 2HG2 VAL 43 2HG2 VAL 43 -3.352 0.569 -1.896 292 3HG2 VAL 43 3HG2 VAL 43 -4.076 1.830 -2.891 293 H LEU 44 HN LEU 44 0.322 -1.567 -3.767 294 HA LEU 44 HA LEU 44 2.549 0.058 -4.680 295 1HB LEU 44 HB2 LEU 44 2.315 -2.509 -3.636 296 2HB LEU 44 HB1 LEU 44 2.700 -2.767 -5.327 297 HG LEU 44 HG LEU 44 4.326 -1.244 -3.298 298 1HD1 LEU 44 1HD1 LEU 44 4.554 -3.864 -4.686 299 2HD1 LEU 44 2HD1 LEU 44 4.874 -3.447 -3.002 300 3HD1 LEU 44 3HD1 LEU 44 6.011 -2.978 -4.259 301 1HD2 LEU 44 1HD2 LEU 44 5.202 -0.036 -4.943 302 2HD2 LEU 44 2HD2 LEU 44 4.172 -0.841 -6.125 303 3HD2 LEU 44 3HD2 LEU 44 5.744 -1.525 -5.718 304 H ALA 45 HN ALA 45 2.983 0.554 -6.718 305 HA ALA 45 HA ALA 45 1.083 -0.291 -8.783 306 1HB ALA 45 HB1 ALA 45 3.121 1.932 -8.774 307 2HB ALA 45 HB2 ALA 45 1.390 2.100 -8.488 308 3HB ALA 45 HB3 ALA 45 1.977 1.597 -10.073 309 H MET 46 HN MET 46 1.746 -2.172 -9.719 310 HA MET 46 HA MET 46 4.455 -2.929 -10.032 311 1HB MET 46 HB2 MET 46 1.862 -4.069 -10.603 312 2HB MET 46 HB1 MET 46 2.989 -4.375 -11.918 313 1HG MET 46 HG2 MET 46 4.123 -4.834 -9.270 314 2HG MET 46 HG1 MET 46 2.749 -5.869 -9.648 315 1HE MET 46 HE1 MET 46 5.470 -4.161 -11.584 316 2HE MET 46 HE2 MET 46 4.896 -5.002 -13.025 317 3HE MET 46 HE3 MET 46 6.445 -5.443 -12.303 318 H GLY 47 HN GLY 47 5.306 -0.991 -10.992 319 1HA GLY 47 HA2 GLY 47 6.462 -0.498 -13.045 320 2HA GLY 47 HA1 GLY 47 5.056 -1.075 -13.927 321 H GLN 48 HN GLN 48 5.928 1.424 -11.552 322 HA GLN 48 HA GLN 48 4.234 3.313 -13.052 323 1HB GLN 48 HB2 GLN 48 3.983 2.528 -10.382 324 2HB GLN 48 HB1 GLN 48 4.745 4.110 -10.309 325 1HG GLN 48 HG2 GLN 48 2.780 4.561 -12.120 326 2HG GLN 48 HG1 GLN 48 2.022 3.358 -11.077 327 1HE2 GLN 48 1HE2 GLN 48 1.975 6.452 -11.554 328 2HE2 GLN 48 2HE2 GLN 48 1.877 7.068 -9.943 329 H GLY 49 HN GLY 49 6.693 3.581 -10.492 330 1HA GLY 49 HA2 GLY 49 8.003 5.689 -12.064 331 2HA GLY 49 HA1 GLY 49 8.220 5.408 -10.340 332 H ARG 50 HN ARG 50 8.861 2.868 -10.097 333 HA ARG 50 HA ARG 50 10.544 1.637 -11.902 334 1HB ARG 50 HB2 ARG 50 12.772 2.240 -11.208 335 2HB ARG 50 HB1 ARG 50 11.922 3.699 -11.693 336 1HG ARG 50 HG2 ARG 50 12.278 4.635 -9.722 337 2HG ARG 50 HG1 ARG 50 11.570 3.253 -8.881 338 1HD ARG 50 HD2 ARG 50 13.935 3.729 -8.257 339 2HD ARG 50 HD1 ARG 50 13.666 2.101 -8.874 340 HE ARG 50 HE ARG 50 14.974 4.297 -10.314 341 1HH1 ARG 50 1HH1 ARG 50 14.213 0.896 -10.046 342 2HH1 ARG 50 2HH1 ARG 50 15.335 0.427 -11.275 343 1HH2 ARG 50 1HH2 ARG 50 16.439 3.676 -11.929 344 2HH2 ARG 50 2HH2 ARG 50 16.595 2.002 -12.346 345 H MET 51 HN MET 51 8.994 0.267 -10.588 346 HA MET 51 HA MET 51 9.364 -0.333 -7.910 347 1HB MET 51 HB2 MET 51 8.202 -1.760 -10.229 348 2HB MET 51 HB1 MET 51 8.609 -2.741 -8.825 349 1HG MET 51 HG2 MET 51 7.342 -0.844 -7.534 350 2HG MET 51 HG1 MET 51 6.588 -0.581 -9.108 351 1HE MET 51 HE1 MET 51 6.431 -4.270 -6.473 352 2HE MET 51 HE2 MET 51 7.788 -3.172 -6.738 353 3HE MET 51 HE3 MET 51 7.472 -4.477 -7.881 354 H ILE 52 HN ILE 52 11.086 -0.950 -6.887 355 HA ILE 52 HA ILE 52 13.409 -1.982 -8.132 356 HB ILE 52 HB ILE 52 13.949 -2.575 -5.604 357 1HG1 ILE 52 2HG1 ILE 52 11.863 -0.416 -5.268 358 2HG1 ILE 52 1HG1 ILE 52 11.544 -2.117 -4.944 359 1HG2 ILE 52 1HG2 ILE 52 15.281 -0.972 -6.581 360 2HG2 ILE 52 2HG2 ILE 52 14.459 -0.028 -5.338 361 3HG2 ILE 52 3HG2 ILE 52 13.915 0.055 -7.014 362 1HD1 ILE 52 1HD1 ILE 52 12.048 -0.872 -2.914 363 2HD1 ILE 52 2HD1 ILE 52 13.623 -0.430 -3.574 364 3HD1 ILE 52 3HD1 ILE 52 13.256 -2.119 -3.224 365 HA PRO 53 HA PRO 53 12.938 -6.360 -8.180 366 1HB PRO 53 HB2 PRO 53 15.140 -7.228 -6.740 367 2HB PRO 53 HB1 PRO 53 15.165 -6.786 -8.451 368 1HG PRO 53 HG2 PRO 53 15.953 -5.173 -6.060 369 2HG PRO 53 HG1 PRO 53 16.724 -5.268 -7.655 370 1HD PRO 53 HD2 PRO 53 15.186 -3.183 -6.974 371 2HD PRO 53 HD1 PRO 53 15.177 -3.833 -8.627 372 H GLY 54 HN GLY 54 13.536 -4.785 -5.121 373 1HA GLY 54 HA2 GLY 54 12.949 -6.861 -3.348 374 2HA GLY 54 HA1 GLY 54 12.719 -5.150 -3.020 375 H PHE 55 HN PHE 55 10.723 -4.259 -4.380 376 HA PHE 55 HA PHE 55 8.469 -5.585 -3.295 377 1HB PHE 55 HB2 PHE 55 8.839 -3.224 -5.119 378 2HB PHE 55 HB1 PHE 55 7.238 -3.865 -4.797 379 HD1 PHE 55 HD1 PHE 55 6.797 -4.207 -2.121 380 HD2 PHE 55 HD2 PHE 55 9.493 -1.427 -3.897 381 HE1 PHE 55 HE1 PHE 55 6.669 -2.815 -0.120 382 HE2 PHE 55 HE2 PHE 55 9.365 -0.026 -1.886 383 HZ PHE 55 HZ PHE 55 7.948 -0.714 0.002 384 H GLU 56 HN GLU 56 9.739 -5.176 -6.578 385 HA GLU 56 HA GLU 56 7.716 -6.440 -7.994 386 1HB GLU 56 HB2 GLU 56 10.268 -5.430 -8.565 387 2HB GLU 56 HB1 GLU 56 10.310 -7.109 -9.091 388 1HG GLU 56 HG2 GLU 56 8.063 -6.542 -10.249 389 2HG GLU 56 HG1 GLU 56 8.584 -4.870 -10.054 390 H ASP 57 HN ASP 57 10.003 -7.784 -5.815 391 HA ASP 57 HA ASP 57 9.907 -10.457 -6.854 392 1HB ASP 57 HB2 ASP 57 11.333 -9.050 -4.761 393 2HB ASP 57 HB1 ASP 57 10.717 -10.593 -4.176 394 H GLY 58 HN GLY 58 9.043 -9.441 -3.544 395 1HA GLY 58 HA2 GLY 58 7.217 -11.575 -3.232 396 2HA GLY 58 HA1 GLY 58 7.376 -10.193 -2.160 397 H ILE 59 HN ILE 59 6.643 -8.097 -3.653 398 HA ILE 59 HA ILE 59 3.815 -8.481 -3.925 399 HB ILE 59 HB ILE 59 5.395 -5.952 -4.442 400 1HG1 ILE 59 2HG1 ILE 59 4.797 -5.494 -1.984 401 2HG1 ILE 59 1HG1 ILE 59 4.616 -7.221 -1.818 402 1HG2 ILE 59 1HG2 ILE 59 2.568 -6.681 -4.111 403 2HG2 ILE 59 2HG2 ILE 59 3.300 -5.307 -4.939 404 3HG2 ILE 59 3HG2 ILE 59 3.074 -5.262 -3.191 405 1HD1 ILE 59 1HD1 ILE 59 7.110 -6.343 -3.049 406 2HD1 ILE 59 2HD1 ILE 59 6.831 -7.536 -1.787 407 3HD1 ILE 59 3HD1 ILE 59 6.887 -5.824 -1.386 408 H LYS 60 HN LYS 60 5.275 -9.833 -5.753 409 HA LYS 60 HA LYS 60 5.520 -8.663 -8.320 410 1HB LYS 60 HB2 LYS 60 4.786 -10.994 -9.204 411 2HB LYS 60 HB1 LYS 60 6.287 -10.880 -8.304 412 1HG LYS 60 HG2 LYS 60 4.536 -11.429 -6.308 413 2HG LYS 60 HG1 LYS 60 3.797 -12.287 -7.661 414 1HD LYS 60 HD2 LYS 60 6.703 -12.554 -6.925 415 2HD LYS 60 HD1 LYS 60 5.447 -13.620 -6.300 416 1HE LYS 60 HE2 LYS 60 6.192 -14.816 -8.118 417 2HE LYS 60 HE1 LYS 60 4.850 -13.915 -8.825 418 1HZ LYS 60 HZ1 LYS 60 7.384 -13.970 -9.780 419 2HZ LYS 60 HZ2 LYS 60 7.353 -12.506 -8.936 420 3HZ LYS 60 HZ3 LYS 60 6.224 -12.801 -10.160 421 H GLY 61 HN GLY 61 2.832 -10.276 -6.763 422 1HA GLY 61 HA2 GLY 61 0.627 -9.223 -6.662 423 2HA GLY 61 HA1 GLY 61 0.917 -8.646 -8.299 424 H HIS 62 HN HIS 62 1.460 -11.767 -6.773 425 HA HIS 62 HA HIS 62 -0.361 -12.969 -8.777 426 1HB HIS 62 HB2 HIS 62 1.112 -14.822 -9.065 427 2HB HIS 62 HB1 HIS 62 2.076 -13.360 -9.231 428 HD2 HIS 62 HD2 HIS 62 2.185 -13.267 -5.705 429 HE1 HIS 62 HE1 HIS 62 4.783 -16.526 -6.506 430 HE2 HIS 62 HE2 HIS 62 4.094 -14.776 -4.829 431 H LYS 63 HN LYS 63 0.307 -12.647 -5.467 432 HA LYS 63 HA LYS 63 -1.447 -14.947 -4.901 433 1HB LYS 63 HB2 LYS 63 0.983 -13.967 -3.446 434 2HB LYS 63 HB1 LYS 63 -0.271 -14.849 -2.586 435 1HG LYS 63 HG2 LYS 63 0.579 -16.136 -5.063 436 2HG LYS 63 HG1 LYS 63 1.858 -15.974 -3.859 437 1HD LYS 63 HD2 LYS 63 0.903 -17.462 -2.462 438 2HD LYS 63 HD1 LYS 63 -0.729 -16.884 -2.801 439 1HE LYS 63 HE2 LYS 63 -0.964 -18.836 -3.880 440 2HE LYS 63 HE1 LYS 63 -0.067 -18.038 -5.171 441 1HZ LYS 63 HZ1 LYS 63 0.666 -20.296 -3.680 442 2HZ LYS 63 HZ2 LYS 63 1.783 -19.069 -3.348 443 3HZ LYS 63 HZ3 LYS 63 1.510 -19.553 -4.945 444 H ALA 64 HN ALA 64 -3.290 -13.604 -5.013 445 HA ALA 64 HA ALA 64 -3.663 -11.241 -3.553 446 1HB ALA 64 HB1 ALA 64 -5.676 -11.254 -4.523 447 2HB ALA 64 HB2 ALA 64 -6.081 -12.827 -3.840 448 3HB ALA 64 HB3 ALA 64 -5.154 -12.729 -5.336 449 H GLY 65 HN GLY 65 -2.955 -11.407 -1.419 450 1HA GLY 65 HA2 GLY 65 -3.857 -11.607 0.810 451 2HA GLY 65 HA1 GLY 65 -4.664 -13.082 0.303 452 H GLU 66 HN GLU 66 -1.294 -12.216 -0.306 453 HA GLU 66 HA GLU 66 -0.480 -14.673 1.057 454 1HB GLU 66 HB2 GLU 66 0.258 -13.571 -1.350 455 2HB GLU 66 HB1 GLU 66 1.600 -13.132 -0.308 456 1HG GLU 66 HG2 GLU 66 1.534 -15.630 0.389 457 2HG GLU 66 HG1 GLU 66 0.653 -15.835 -1.127 458 H GLU 67 HN GLU 67 1.669 -14.613 2.145 459 HA GLU 67 HA GLU 67 2.204 -12.116 3.587 460 1HB GLU 67 HB2 GLU 67 1.757 -14.838 4.833 461 2HB GLU 67 HB1 GLU 67 2.532 -13.508 5.682 462 1HG GLU 67 HG2 GLU 67 0.464 -13.085 6.415 463 2HG GLU 67 HG1 GLU 67 0.263 -12.303 4.847 464 H PHE 68 HN PHE 68 4.163 -11.721 2.640 465 HA PHE 68 HA PHE 68 6.249 -13.778 3.027 466 1HB PHE 68 HB2 PHE 68 7.195 -13.054 0.809 467 2HB PHE 68 HB1 PHE 68 5.653 -13.908 0.708 468 HD1 PHE 68 HD1 PHE 68 3.704 -12.845 -0.073 469 HD2 PHE 68 HD2 PHE 68 7.266 -10.615 0.546 470 HE1 PHE 68 HE1 PHE 68 2.697 -10.933 -1.221 471 HE2 PHE 68 HE2 PHE 68 6.265 -8.690 -0.614 472 HZ PHE 68 HZ PHE 68 3.971 -8.848 -1.503 473 H THR 69 HN THR 69 8.481 -12.847 2.752 474 HA THR 69 HA THR 69 8.590 -10.069 3.701 475 HB THR 69 HB THR 69 10.362 -12.343 4.608 476 HG1 THR 69 HG1 THR 69 9.256 -12.146 6.562 477 1HG2 THR 69 1HG2 THR 69 10.608 -9.482 4.892 478 2HG2 THR 69 2HG2 THR 69 11.755 -10.763 5.282 479 3HG2 THR 69 3HG2 THR 69 10.520 -10.298 6.453 480 H ILE 70 HN ILE 70 9.778 -8.753 2.414 481 HA ILE 70 HA ILE 70 11.984 -10.003 0.906 482 HB ILE 70 HB ILE 70 11.485 -8.765 -1.086 483 1HG1 ILE 70 2HG1 ILE 70 10.500 -6.765 0.030 484 2HG1 ILE 70 1HG1 ILE 70 9.554 -7.330 -1.343 485 1HG2 ILE 70 1HG2 ILE 70 9.515 -10.600 0.072 486 2HG2 ILE 70 2HG2 ILE 70 10.374 -10.671 -1.466 487 3HG2 ILE 70 3HG2 ILE 70 8.940 -9.659 -1.303 488 1HD1 ILE 70 1HD1 ILE 70 8.406 -8.663 0.749 489 2HD1 ILE 70 2HD1 ILE 70 7.814 -7.164 0.029 490 3HD1 ILE 70 3HD1 ILE 70 8.838 -7.110 1.465 491 H ASP 71 HN ASP 71 13.461 -8.320 -0.043 492 HA ASP 71 HA ASP 71 13.982 -6.316 2.020 493 1HB ASP 71 HB2 ASP 71 15.663 -7.509 -0.188 494 2HB ASP 71 HB1 ASP 71 16.171 -6.068 0.691 495 H VAL 72 HN VAL 72 14.355 -4.100 1.435 496 HA VAL 72 HA VAL 72 13.609 -3.344 -1.282 497 HB VAL 72 HB VAL 72 12.157 -1.469 -0.227 498 1HG1 VAL 72 1HG1 VAL 72 10.180 -2.753 -0.580 499 2HG1 VAL 72 2HG1 VAL 72 11.038 -4.263 -0.263 500 3HG1 VAL 72 3HG1 VAL 72 11.405 -3.327 -1.712 501 1HG2 VAL 72 1HG2 VAL 72 11.227 -1.779 1.848 502 2HG2 VAL 72 2HG2 VAL 72 12.862 -2.377 2.118 503 3HG2 VAL 72 3HG2 VAL 72 11.541 -3.513 1.855 504 H THR 73 HN THR 73 14.777 -1.638 -2.026 505 HA THR 73 HA THR 73 15.880 0.298 -0.194 506 HB THR 73 HB THR 73 17.583 -1.609 -1.807 507 HG1 THR 73 HG1 THR 73 18.397 -2.146 0.100 508 1HG2 THR 73 1HG2 THR 73 18.118 1.178 -1.320 509 2HG2 THR 73 2HG2 THR 73 19.033 0.000 -2.258 510 3HG2 THR 73 3HG2 THR 73 19.306 0.149 -0.523 511 H PHE 74 HN PHE 74 15.582 2.220 -1.157 512 HA PHE 74 HA PHE 74 14.889 2.290 -3.950 513 1HB PHE 74 HB2 PHE 74 14.873 4.359 -1.771 514 2HB PHE 74 HB1 PHE 74 14.433 4.717 -3.439 515 HD1 PHE 74 HD1 PHE 74 13.670 2.019 -0.955 516 HD2 PHE 74 HD2 PHE 74 12.197 4.786 -3.821 517 HE1 PHE 74 HE1 PHE 74 11.384 1.192 -0.569 518 HE2 PHE 74 HE2 PHE 74 9.904 3.980 -3.438 519 HZ PHE 74 HZ PHE 74 9.497 2.180 -1.811 520 HA PRO 75 HA PRO 75 18.942 3.414 -5.352 521 1HB PRO 75 HB2 PRO 75 18.269 4.263 -7.833 522 2HB PRO 75 HB1 PRO 75 18.310 2.553 -7.384 523 1HG PRO 75 HG2 PRO 75 15.964 4.407 -7.568 524 2HG PRO 75 HG1 PRO 75 16.114 2.735 -8.141 525 1HD PRO 75 HD2 PRO 75 14.870 3.364 -5.829 526 2HD PRO 75 HD1 PRO 75 15.779 1.851 -6.037 527 H GLU 76 HN GLU 76 19.970 5.316 -6.561 528 HA GLU 76 HA GLU 76 19.389 7.697 -5.099 529 1HB GLU 76 HB2 GLU 76 21.585 6.658 -6.518 530 2HB GLU 76 HB1 GLU 76 21.156 8.159 -7.328 531 1HG GLU 76 HG2 GLU 76 22.584 8.979 -5.774 532 2HG GLU 76 HG1 GLU 76 21.088 9.060 -4.846 533 H GLU 77 HN GLU 77 18.186 6.417 -8.006 534 HA GLU 77 HA GLU 77 17.623 9.001 -9.193 535 1HB GLU 77 HB2 GLU 77 16.356 7.554 -10.889 536 2HB GLU 77 HB1 GLU 77 18.106 7.408 -10.829 537 1HG GLU 77 HG2 GLU 77 16.860 5.512 -9.055 538 2HG GLU 77 HG1 GLU 77 16.225 5.370 -10.691 539 H TYR 78 HN TYR 78 15.945 6.533 -7.349 540 HA TYR 78 HA TYR 78 13.303 7.470 -7.782 541 1HB TYR 78 HB2 TYR 78 14.112 5.247 -6.698 542 2HB TYR 78 HB1 TYR 78 14.199 6.179 -5.210 543 HD1 TYR 78 HD1 TYR 78 12.140 4.210 -7.272 544 HD2 TYR 78 HD2 TYR 78 12.006 7.474 -4.542 545 HE1 TYR 78 HE1 TYR 78 9.744 3.805 -6.916 546 HE2 TYR 78 HE2 TYR 78 9.607 7.079 -4.185 547 HH TYR 78 HH TYR 78 7.723 5.259 -6.169 548 H HIS 79 HN HIS 79 15.243 7.719 -4.842 549 HA HIS 79 HA HIS 79 15.013 9.139 -3.063 550 1HB HIS 79 HB2 HIS 79 15.980 10.650 -5.438 551 2HB HIS 79 HB1 HIS 79 15.760 11.501 -3.911 552 HD2 HIS 79 HD2 HIS 79 17.013 7.910 -3.450 553 HE1 HIS 79 HE1 HIS 79 20.390 10.468 -3.147 554 HE2 HIS 79 HE2 HIS 79 19.509 8.133 -2.795 555 H ALA 80 HN ALA 80 12.618 8.869 -2.878 556 HA ALA 80 HA ALA 80 11.013 11.087 -3.839 557 1HB ALA 80 HB1 ALA 80 10.414 8.569 -2.343 558 2HB ALA 80 HB2 ALA 80 9.802 9.108 -3.904 559 3HB ALA 80 HB3 ALA 80 9.227 9.868 -2.421 560 H GLU 81 HN GLU 81 10.208 12.722 -2.615 561 HA GLU 81 HA GLU 81 11.611 13.861 -0.613 562 1HB GLU 81 HB2 GLU 81 8.646 14.008 -1.111 563 2HB GLU 81 HB1 GLU 81 9.494 15.073 0.002 564 1HG GLU 81 HG2 GLU 81 10.259 16.360 -1.640 565 2HG GLU 81 HG1 GLU 81 10.737 14.974 -2.621 566 H ASN 82 HN ASN 82 9.363 11.206 -0.143 567 HA ASN 82 HA ASN 82 9.352 11.675 2.732 568 1HB ASN 82 HB2 ASN 82 7.739 9.770 2.794 569 2HB ASN 82 HB1 ASN 82 7.218 11.142 1.822 570 1HD2 ASN 82 1HD2 ASN 82 8.752 7.980 1.625 571 2HD2 ASN 82 2HD2 ASN 82 8.154 7.586 0.055 572 H LEU 83 HN LEU 83 10.522 9.153 0.492 573 HA LEU 83 HA LEU 83 12.085 8.114 2.754 574 1HB LEU 83 HB2 LEU 83 11.539 5.902 2.375 575 2HB LEU 83 HB1 LEU 83 10.018 6.743 2.210 576 HG LEU 83 HG LEU 83 9.824 5.356 0.430 577 1HD1 LEU 83 1HD1 LEU 83 10.212 7.798 -0.432 578 2HD1 LEU 83 2HD1 LEU 83 10.055 6.449 -1.551 579 3HD1 LEU 83 3HD1 LEU 83 11.651 7.085 -1.155 580 1HD2 LEU 83 1HD2 LEU 83 12.048 4.323 1.009 581 2HD2 LEU 83 2HD2 LEU 83 12.748 5.415 -0.189 582 3HD2 LEU 83 3HD2 LEU 83 11.537 4.241 -0.669 583 H LYS 84 HN LYS 84 12.599 9.713 0.187 584 HA LYS 84 HA LYS 84 13.986 8.646 -1.768 585 1HB LYS 84 HB2 LYS 84 15.522 10.510 -1.772 586 2HB LYS 84 HB1 LYS 84 13.927 11.063 -1.286 587 1HG LYS 84 HG2 LYS 84 15.991 10.353 0.760 588 2HG LYS 84 HG1 LYS 84 15.988 11.931 -0.023 589 1HD LYS 84 HD2 LYS 84 13.698 12.312 0.739 590 2HD LYS 84 HD1 LYS 84 13.682 10.723 1.504 591 1HE LYS 84 HE2 LYS 84 14.112 12.488 3.137 592 2HE LYS 84 HE1 LYS 84 15.493 11.404 2.985 593 1HZ LYS 84 HZ1 LYS 84 15.224 14.108 1.788 594 2HZ LYS 84 HZ2 LYS 84 16.516 13.057 1.491 595 3HZ LYS 84 HZ3 LYS 84 16.258 13.656 3.050 596 H GLY 85 HN GLY 85 15.559 7.255 -2.162 597 1HA GLY 85 HA2 GLY 85 17.162 5.652 -1.764 598 2HA GLY 85 HA1 GLY 85 18.021 6.992 -1.027 599 H LYS 86 HN LYS 86 15.207 5.008 -0.079 600 HA LYS 86 HA LYS 86 16.400 4.760 2.585 601 1HB LYS 86 HB2 LYS 86 13.868 5.399 1.890 602 2HB LYS 86 HB1 LYS 86 13.704 3.668 2.123 603 1HG LYS 86 HG2 LYS 86 15.035 4.259 4.352 604 2HG LYS 86 HG1 LYS 86 14.256 5.819 4.081 605 1HD LYS 86 HD2 LYS 86 12.905 4.356 5.518 606 2HD LYS 86 HD1 LYS 86 12.077 4.740 4.008 607 1HE LYS 86 HE2 LYS 86 13.653 2.378 3.663 608 2HE LYS 86 HE1 LYS 86 12.634 2.196 5.091 609 1HZ LYS 86 HZ1 LYS 86 11.461 3.219 2.597 610 2HZ LYS 86 HZ2 LYS 86 10.727 2.359 3.854 611 3HZ LYS 86 HZ3 LYS 86 11.737 1.557 2.761 612 H ALA 87 HN ALA 87 17.889 3.102 2.361 613 HA ALA 87 HA ALA 87 17.165 0.588 1.139 614 1HB ALA 87 HB1 ALA 87 19.363 -0.076 1.500 615 2HB ALA 87 HB2 ALA 87 19.545 0.956 2.920 616 3HB ALA 87 HB3 ALA 87 19.519 1.671 1.308 617 H ALA 88 HN ALA 88 15.478 -0.379 2.258 618 HA ALA 88 HA ALA 88 16.016 -0.994 5.086 619 1HB ALA 88 HB1 ALA 88 14.245 0.818 4.511 620 2HB ALA 88 HB2 ALA 88 13.900 -0.375 5.757 621 3HB ALA 88 HB3 ALA 88 13.221 -0.566 4.140 622 H LYS 89 HN LYS 89 14.076 -2.500 5.801 623 HA LYS 89 HA LYS 89 13.898 -4.787 3.953 624 1HB LYS 89 HB2 LYS 89 14.804 -4.701 6.808 625 2HB LYS 89 HB1 LYS 89 13.896 -6.102 6.259 626 1HG LYS 89 HG2 LYS 89 15.658 -6.952 5.211 627 2HG LYS 89 HG1 LYS 89 16.030 -5.416 4.424 628 1HD LYS 89 HD2 LYS 89 16.627 -5.424 7.282 629 2HD LYS 89 HD1 LYS 89 17.538 -6.634 6.376 630 1HE LYS 89 HE2 LYS 89 17.668 -4.364 4.792 631 2HE LYS 89 HE1 LYS 89 17.824 -3.746 6.436 632 1HZ LYS 89 HZ1 LYS 89 19.419 -6.059 6.108 633 2HZ LYS 89 HZ2 LYS 89 19.894 -4.490 6.524 634 3HZ LYS 89 HZ3 LYS 89 19.788 -4.937 4.896 635 H PHE 90 HN PHE 90 11.858 -5.780 3.941 636 HA PHE 90 HA PHE 90 9.884 -4.808 5.890 637 1HB PHE 90 HB2 PHE 90 9.360 -4.959 2.919 638 2HB PHE 90 HB1 PHE 90 8.164 -4.604 4.153 639 HD1 PHE 90 HD1 PHE 90 8.296 -2.955 1.938 640 HD2 PHE 90 HD2 PHE 90 10.687 -2.809 5.428 641 HE1 PHE 90 HE1 PHE 90 8.633 -0.529 1.603 642 HE2 PHE 90 HE2 PHE 90 11.048 -0.395 5.109 643 HZ PHE 90 HZ PHE 90 10.009 0.746 3.189 644 H ALA 91 HN ALA 91 8.041 -6.197 6.170 645 HA ALA 91 HA ALA 91 8.247 -8.827 4.899 646 1HB ALA 91 HB1 ALA 91 7.001 -9.469 7.164 647 2HB ALA 91 HB2 ALA 91 7.912 -8.085 7.769 648 3HB ALA 91 HB3 ALA 91 8.762 -9.459 7.060 649 H ILE 92 HN ILE 92 6.713 -8.600 3.420 650 HA ILE 92 HA ILE 92 4.311 -7.078 4.045 651 HB ILE 92 HB ILE 92 5.204 -8.114 1.370 652 1HG1 ILE 92 2HG1 ILE 92 6.037 -5.663 2.888 653 2HG1 ILE 92 1HG1 ILE 92 7.029 -6.827 2.051 654 1HG2 ILE 92 1HG2 ILE 92 3.882 -6.068 0.625 655 2HG2 ILE 92 2HG2 ILE 92 3.206 -6.076 2.252 656 3HG2 ILE 92 3HG2 ILE 92 2.986 -7.474 1.199 657 1HD1 ILE 92 1HD1 ILE 92 5.767 -4.397 1.083 658 2HD1 ILE 92 2HD1 ILE 92 5.529 -5.786 0.026 659 3HD1 ILE 92 3HD1 ILE 92 7.163 -5.280 0.464 660 H ASN 93 HN ASN 93 2.294 -7.648 3.068 661 HA ASN 93 HA ASN 93 1.773 -10.501 2.729 662 1HB ASN 93 HB2 ASN 93 0.109 -8.659 4.470 663 2HB ASN 93 HB1 ASN 93 -0.270 -10.338 4.094 664 1HD2 ASN 93 1HD2 ASN 93 -0.041 -9.377 6.679 665 2HD2 ASN 93 2HD2 ASN 93 1.331 -10.111 7.430 666 H LEU 94 HN LEU 94 1.213 -10.494 0.609 667 HA LEU 94 HA LEU 94 0.005 -8.323 -0.720 668 1HB LEU 94 HB2 LEU 94 1.339 -10.329 -1.658 669 2HB LEU 94 HB1 LEU 94 -0.214 -11.135 -1.707 670 HG LEU 94 HG LEU 94 -1.070 -9.316 -3.161 671 1HD1 LEU 94 1HD1 LEU 94 1.585 -8.220 -2.551 672 2HD1 LEU 94 2HD1 LEU 94 0.085 -7.399 -2.986 673 3HD1 LEU 94 3HD1 LEU 94 1.097 -8.111 -4.242 674 1HD2 LEU 94 1HD2 LEU 94 -0.022 -11.467 -3.993 675 2HD2 LEU 94 2HD2 LEU 94 1.425 -10.519 -4.329 676 3HD2 LEU 94 3HD2 LEU 94 -0.091 -10.132 -5.142 677 H LYS 95 HN LYS 95 -2.061 -8.205 -1.755 678 HA LYS 95 HA LYS 95 -4.155 -9.931 -0.763 679 1HB LYS 95 HB2 LYS 95 -3.879 -7.074 0.081 680 2HB LYS 95 HB1 LYS 95 -5.483 -7.758 -0.132 681 1HG LYS 95 HG2 LYS 95 -4.362 -9.672 1.386 682 2HG LYS 95 HG1 LYS 95 -3.470 -8.259 1.955 683 1HD LYS 95 HD2 LYS 95 -6.319 -7.738 1.686 684 2HD LYS 95 HD1 LYS 95 -5.980 -9.067 2.797 685 1HE LYS 95 HE2 LYS 95 -4.642 -6.369 2.933 686 2HE LYS 95 HE1 LYS 95 -6.076 -6.804 3.863 687 1HZ LYS 95 HZ1 LYS 95 -4.776 -7.737 5.373 688 2HZ LYS 95 HZ2 LYS 95 -3.401 -7.297 4.491 689 3HZ LYS 95 HZ3 LYS 95 -4.133 -8.798 4.221 690 H LYS 96 HN LYS 96 -5.145 -6.799 -1.729 691 HA LYS 96 HA LYS 96 -6.419 -7.881 -4.035 692 1HB LYS 96 HB2 LYS 96 -6.212 -4.998 -3.175 693 2HB LYS 96 HB1 LYS 96 -7.343 -5.651 -4.353 694 1HG LYS 96 HG2 LYS 96 -8.143 -7.163 -2.437 695 2HG LYS 96 HG1 LYS 96 -7.290 -6.032 -1.386 696 1HD LYS 96 HD2 LYS 96 -8.961 -4.568 -1.521 697 2HD LYS 96 HD1 LYS 96 -8.893 -4.591 -3.286 698 1HE LYS 96 HE2 LYS 96 -10.510 -6.220 -3.460 699 2HE LYS 96 HE1 LYS 96 -10.185 -6.864 -1.852 700 1HZ LYS 96 HZ1 LYS 96 -11.655 -4.384 -2.541 701 2HZ LYS 96 HZ2 LYS 96 -11.147 -4.747 -0.969 702 3HZ LYS 96 HZ3 LYS 96 -12.251 -5.758 -1.753 703 H VAL 97 HN VAL 97 -5.177 -8.438 -5.723 704 HA VAL 97 HA VAL 97 -3.357 -6.428 -6.845 705 HB VAL 97 HB VAL 97 -2.088 -8.362 -6.360 706 1HG1 VAL 97 1HG1 VAL 97 -4.563 -9.776 -6.988 707 2HG1 VAL 97 2HG1 VAL 97 -3.258 -10.212 -5.884 708 3HG1 VAL 97 3HG1 VAL 97 -3.117 -10.572 -7.603 709 1HG2 VAL 97 1HG2 VAL 97 -1.107 -8.598 -8.365 710 2HG2 VAL 97 2HG2 VAL 97 -2.355 -7.494 -8.942 711 3HG2 VAL 97 3HG2 VAL 97 -2.570 -9.237 -9.109 712 H GLU 98 HN GLU 98 -4.408 -5.341 -8.438 713 HA GLU 98 HA GLU 98 -6.047 -6.918 -10.317 714 1HB GLU 98 HB2 GLU 98 -6.619 -4.113 -9.363 715 2HB GLU 98 HB1 GLU 98 -7.591 -5.039 -10.498 716 1HG GLU 98 HG2 GLU 98 -8.278 -6.551 -8.820 717 2HG GLU 98 HG1 GLU 98 -7.070 -5.949 -7.686 718 H GLU 99 HN GLU 99 -6.631 -5.013 -12.205 719 HA GLU 99 HA GLU 99 -3.964 -4.266 -13.197 720 1HB GLU 99 HB2 GLU 99 -5.323 -6.067 -14.420 721 2HB GLU 99 HB1 GLU 99 -6.321 -4.734 -14.978 722 1HG GLU 99 HG2 GLU 99 -3.354 -4.750 -15.370 723 2HG GLU 99 HG1 GLU 99 -4.449 -5.537 -16.502 724 H ARG 100 HN ARG 100 -3.947 -2.162 -12.386 725 HA ARG 100 HA ARG 100 -6.081 -0.325 -12.803 726 1HB ARG 100 HB2 ARG 100 -4.444 1.397 -12.129 727 2HB ARG 100 HB1 ARG 100 -4.479 0.038 -11.015 728 1HG ARG 100 HG2 ARG 100 -2.360 -0.545 -11.453 729 2HG ARG 100 HG1 ARG 100 -2.516 -0.200 -13.177 730 1HD ARG 100 HD2 ARG 100 -2.473 2.253 -12.544 731 2HD ARG 100 HD1 ARG 100 -1.978 1.730 -10.937 732 HE ARG 100 HE ARG 100 -0.017 0.702 -12.020 733 1HH1 ARG 100 1HH1 ARG 100 -1.717 3.243 -13.727 734 2HH1 ARG 100 2HH1 ARG 100 -0.339 3.684 -14.675 735 1HH2 ARG 100 1HH2 ARG 100 1.780 1.294 -13.272 736 2HH2 ARG 100 2HH2 ARG 100 1.640 2.583 -14.419 737 H GLU 101 HN GLU 101 -6.048 1.559 -14.152 738 HA GLU 101 HA GLU 101 -4.195 1.733 -16.338 739 1HB GLU 101 HB2 GLU 101 -5.914 -0.057 -16.996 740 2HB GLU 101 HB1 GLU 101 -7.074 1.262 -17.092 741 1HG GLU 101 HG2 GLU 101 -6.329 1.887 -19.082 742 2HG GLU 101 HG1 GLU 101 -4.654 1.889 -18.532 743 H LEU 102 HN LEU 102 -4.261 3.645 -14.739 744 HA LEU 102 HA LEU 102 -6.392 5.522 -15.010 745 1HB LEU 102 HB2 LEU 102 -3.636 5.648 -13.825 746 2HB LEU 102 HB1 LEU 102 -4.653 7.072 -13.919 747 HG LEU 102 HG LEU 102 -6.272 6.126 -12.443 748 1HD1 LEU 102 1HD1 LEU 102 -5.967 3.833 -11.511 749 2HD1 LEU 102 2HD1 LEU 102 -4.717 3.563 -12.725 750 3HD1 LEU 102 3HD1 LEU 102 -6.379 3.872 -13.225 751 1HD2 LEU 102 1HD2 LEU 102 -4.441 7.077 -11.264 752 2HD2 LEU 102 2HD2 LEU 102 -3.451 5.638 -11.509 753 3HD2 LEU 102 3HD2 LEU 102 -4.857 5.571 -10.445 754 HA PRO 103 HA PRO 103 -4.780 7.012 -18.963 755 1HB PRO 103 HB2 PRO 103 -6.901 8.564 -19.595 756 2HB PRO 103 HB1 PRO 103 -6.927 6.806 -19.778 757 1HG PRO 103 HG2 PRO 103 -8.059 8.499 -17.587 758 2HG PRO 103 HG1 PRO 103 -8.773 7.093 -18.397 759 1HD PRO 103 HD2 PRO 103 -7.569 6.956 -15.961 760 2HD PRO 103 HD1 PRO 103 -7.601 5.598 -17.104 761 H GLU 104 HN GLU 104 -3.103 8.329 -18.377 762 HA GLU 104 HA GLU 104 -3.574 10.820 -16.987 763 1HB GLU 104 HB2 GLU 104 -1.305 9.133 -17.571 764 2HB GLU 104 HB1 GLU 104 -0.947 10.800 -18.002 765 1HG GLU 104 HG2 GLU 104 -2.245 10.469 -15.399 766 2HG GLU 104 HG1 GLU 104 -0.651 9.730 -15.527 767 H LEU 105 HN LEU 105 -4.406 12.485 -18.055 768 HA LEU 105 HA LEU 105 -3.955 12.791 -20.910 769 1HB LEU 105 HB2 LEU 105 -5.991 13.543 -19.056 770 2HB LEU 105 HB1 LEU 105 -5.390 14.997 -19.830 771 HG LEU 105 HG LEU 105 -6.291 12.583 -21.390 772 1HD1 LEU 105 1HD1 LEU 105 -8.270 14.376 -21.749 773 2HD1 LEU 105 2HD1 LEU 105 -7.863 14.685 -20.062 774 3HD1 LEU 105 3HD1 LEU 105 -8.332 13.065 -20.572 775 1HD2 LEU 105 1HD2 LEU 105 -6.054 13.859 -23.260 776 2HD2 LEU 105 2HD2 LEU 105 -4.794 14.589 -22.264 777 3HD2 LEU 105 3HD2 LEU 105 -6.370 15.369 -22.406 778 H THR 106 HN THR 106 -2.066 13.670 -21.473 779 HA THR 106 HA THR 106 -0.952 15.841 -19.851 780 HB THR 106 HB THR 106 1.135 15.440 -21.002 781 HG1 THR 106 HG1 THR 106 -0.255 13.517 -22.551 782 1HG2 THR 106 1HG2 THR 106 0.201 13.724 -19.235 783 2HG2 THR 106 2HG2 THR 106 1.722 13.451 -20.086 784 3HG2 THR 106 3HG2 THR 106 0.252 12.639 -20.624 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 -25.935 13.972 -6.410 2 2H GLY 1 HT2 GLY 1 -24.701 14.807 -5.607 3 3H GLY 1 HT3 GLY 1 -25.150 13.259 -5.091 4 1HA GLY 1 HA1 GLY 1 -24.532 12.819 -7.681 5 2HA GLY 1 HA2 GLY 1 -23.369 14.053 -7.216 6 H SER 2 HN SER 2 -21.496 13.027 -6.904 7 HA SER 2 HA SER 2 -21.393 10.971 -4.846 8 1HB SER 2 HB2 SER 2 -19.898 9.549 -6.299 9 2HB SER 2 HB1 SER 2 -21.590 9.592 -6.796 10 HG SER 2 HG SER 2 -20.877 11.341 -8.261 11 H HIS 3 HN HIS 3 -19.145 10.502 -4.166 12 HA HIS 3 HA HIS 3 -17.355 12.786 -4.676 13 1HB HIS 3 HB2 HIS 3 -18.406 11.732 -2.142 14 2HB HIS 3 HB1 HIS 3 -16.663 11.971 -2.148 15 HD2 HIS 3 HD2 HIS 3 -16.926 14.178 -0.420 16 HE1 HIS 3 HE1 HIS 3 -18.886 16.654 -3.256 17 HE2 HIS 3 HE2 HIS 3 -17.797 16.549 -0.984 18 H MET 4 HN MET 4 -15.590 12.114 -5.692 19 HA MET 4 HA MET 4 -14.141 9.806 -4.698 20 1HB MET 4 HB2 MET 4 -15.610 9.824 -7.263 21 2HB MET 4 HB1 MET 4 -13.961 9.223 -7.339 22 1HG MET 4 HG2 MET 4 -14.678 7.776 -5.304 23 2HG MET 4 HG1 MET 4 -16.310 8.120 -5.873 24 1HE MET 4 HE1 MET 4 -14.521 5.635 -5.366 25 2HE MET 4 HE2 MET 4 -13.292 5.419 -6.612 26 3HE MET 4 HE3 MET 4 -14.786 4.482 -6.675 27 H GLN 5 HN GLN 5 -12.187 10.631 -4.381 28 HA GLN 5 HA GLN 5 -11.191 12.826 -5.952 29 1HB GLN 5 HB2 GLN 5 -10.743 11.954 -3.389 30 2HB GLN 5 HB1 GLN 5 -9.276 11.443 -4.212 31 1HG GLN 5 HG2 GLN 5 -10.372 14.245 -4.273 32 2HG GLN 5 HG1 GLN 5 -9.122 13.680 -3.162 33 1HE2 GLN 5 1HE2 GLN 5 -9.890 14.502 -6.445 34 2HE2 GLN 5 2HE2 GLN 5 -8.266 14.540 -7.033 35 H ALA 6 HN ALA 6 -9.815 9.613 -5.222 36 HA ALA 6 HA ALA 6 -8.156 9.744 -7.590 37 1HB ALA 6 HB1 ALA 6 -8.342 7.986 -5.218 38 2HB ALA 6 HB2 ALA 6 -6.928 8.689 -6.004 39 3HB ALA 6 HB3 ALA 6 -7.707 7.268 -6.699 40 H THR 7 HN THR 7 -8.252 8.322 -9.353 41 HA THR 7 HA THR 7 -10.845 6.958 -9.673 42 HB THR 7 HB THR 7 -10.660 8.911 -11.129 43 HG1 THR 7 HG1 THR 7 -10.323 6.545 -12.649 44 1HG2 THR 7 1HG2 THR 7 -8.797 9.520 -12.145 45 2HG2 THR 7 2HG2 THR 7 -8.745 7.990 -13.020 46 3HG2 THR 7 3HG2 THR 7 -7.975 8.128 -11.439 47 H TRP 8 HN TRP 8 -10.844 4.872 -10.230 48 HA TRP 8 HA TRP 8 -8.392 3.660 -11.271 49 1HB TRP 8 HB2 TRP 8 -9.916 2.724 -8.840 50 2HB TRP 8 HB1 TRP 8 -8.768 1.712 -9.708 51 HD1 TRP 8 HD1 TRP 8 -8.738 5.204 -8.008 52 HE1 TRP 8 HE1 TRP 8 -6.471 5.487 -6.841 53 HE3 TRP 8 HE3 TRP 8 -6.558 0.802 -9.407 54 HZ2 TRP 8 HZ2 TRP 8 -4.059 4.025 -6.541 55 HZ3 TRP 8 HZ3 TRP 8 -4.270 0.324 -8.646 56 HH2 TRP 8 HH2 TRP 8 -3.047 1.894 -7.246 57 H LYS 9 HN LYS 9 -8.695 1.633 -12.300 58 HA LYS 9 HA LYS 9 -11.407 0.734 -12.831 59 1HB LYS 9 HB2 LYS 9 -10.916 0.699 -15.319 60 2HB LYS 9 HB1 LYS 9 -11.219 2.284 -14.624 61 1HG LYS 9 HG2 LYS 9 -8.421 1.706 -14.503 62 2HG LYS 9 HG1 LYS 9 -9.014 1.453 -16.145 63 1HD LYS 9 HD2 LYS 9 -10.129 3.862 -15.019 64 2HD LYS 9 HD1 LYS 9 -8.370 3.888 -14.926 65 1HE LYS 9 HE2 LYS 9 -8.174 3.517 -17.283 66 2HE LYS 9 HE1 LYS 9 -9.908 3.234 -17.432 67 1HZ LYS 9 HZ1 LYS 9 -9.847 5.389 -18.066 68 2HZ LYS 9 HZ2 LYS 9 -8.449 5.746 -17.183 69 3HZ LYS 9 HZ3 LYS 9 -9.945 5.657 -16.397 70 H GLU 10 HN GLU 10 -9.117 -0.291 -11.420 71 HA GLU 10 HA GLU 10 -7.701 -2.160 -12.954 72 1HB GLU 10 HB2 GLU 10 -7.003 -3.117 -10.828 73 2HB GLU 10 HB1 GLU 10 -6.896 -1.367 -10.801 74 1HG GLU 10 HG2 GLU 10 -9.388 -1.734 -9.825 75 2HG GLU 10 HG1 GLU 10 -8.575 -3.180 -9.226 76 H LYS 11 HN LYS 11 -7.968 -4.255 -13.417 77 HA LYS 11 HA LYS 11 -10.577 -5.294 -13.607 78 1HB LYS 11 HB2 LYS 11 -7.997 -6.859 -13.780 79 2HB LYS 11 HB1 LYS 11 -9.542 -7.280 -14.503 80 1HG LYS 11 HG2 LYS 11 -9.389 -5.468 -16.054 81 2HG LYS 11 HG1 LYS 11 -7.953 -4.836 -15.249 82 1HD LYS 11 HD2 LYS 11 -6.583 -6.388 -16.181 83 2HD LYS 11 HD1 LYS 11 -7.828 -7.640 -16.187 84 1HE LYS 11 HE2 LYS 11 -8.798 -6.823 -18.157 85 2HE LYS 11 HE1 LYS 11 -7.982 -5.267 -18.018 86 1HZ LYS 11 HZ1 LYS 11 -7.155 -7.468 -19.470 87 2HZ LYS 11 HZ2 LYS 11 -6.085 -7.364 -18.165 88 3HZ LYS 11 HZ3 LYS 11 -6.290 -6.039 -19.195 89 H ASP 12 HN ASP 12 -10.194 -8.031 -12.884 90 HA ASP 12 HA ASP 12 -10.014 -7.883 -9.954 91 1HB ASP 12 HB2 ASP 12 -12.389 -8.143 -11.331 92 2HB ASP 12 HB1 ASP 12 -11.982 -9.812 -10.947 93 H GLY 13 HN GLY 13 -8.215 -8.897 -12.157 94 1HA GLY 13 HA2 GLY 13 -8.085 -11.729 -11.333 95 2HA GLY 13 HA1 GLY 13 -7.476 -11.107 -12.858 96 H ALA 14 HN ALA 14 -5.452 -12.069 -12.429 97 HA ALA 14 HA ALA 14 -3.911 -11.500 -10.117 98 1HB ALA 14 HB1 ALA 14 -2.051 -12.188 -11.961 99 2HB ALA 14 HB2 ALA 14 -3.507 -12.866 -12.686 100 3HB ALA 14 HB3 ALA 14 -3.028 -13.342 -11.056 101 H VAL 15 HN VAL 15 -1.444 -10.729 -10.939 102 HA VAL 15 HA VAL 15 -1.694 -7.885 -11.166 103 HB VAL 15 HB VAL 15 0.172 -8.891 -9.956 104 1HG1 VAL 15 1HG1 VAL 15 1.132 -9.829 -12.653 105 2HG1 VAL 15 2HG1 VAL 15 0.527 -10.857 -11.354 106 3HG1 VAL 15 3HG1 VAL 15 2.026 -9.953 -11.137 107 1HG2 VAL 15 1HG2 VAL 15 1.692 -7.585 -12.081 108 2HG2 VAL 15 2HG2 VAL 15 1.505 -7.153 -10.382 109 3HG2 VAL 15 3HG2 VAL 15 0.274 -6.688 -11.545 110 H GLU 16 HN GLU 16 -0.843 -6.539 -12.940 111 HA GLU 16 HA GLU 16 -0.585 -7.950 -15.483 112 1HB GLU 16 HB2 GLU 16 -2.482 -5.713 -14.831 113 2HB GLU 16 HB1 GLU 16 -1.896 -5.949 -16.472 114 1HG GLU 16 HG2 GLU 16 -3.926 -7.075 -16.427 115 2HG GLU 16 HG1 GLU 16 -2.725 -8.352 -16.234 116 H ALA 17 HN ALA 17 0.451 -6.661 -17.116 117 HA ALA 17 HA ALA 17 2.870 -5.822 -16.862 118 1HB ALA 17 HB1 ALA 17 1.988 -5.471 -18.983 119 2HB ALA 17 HB2 ALA 17 2.465 -3.857 -18.455 120 3HB ALA 17 HB3 ALA 17 0.770 -4.339 -18.394 121 H GLU 18 HN GLU 18 0.641 -3.031 -16.643 122 HA GLU 18 HA GLU 18 2.365 -1.998 -14.486 123 1HB GLU 18 HB2 GLU 18 0.889 -0.518 -16.660 124 2HB GLU 18 HB1 GLU 18 1.636 0.277 -15.283 125 1HG GLU 18 HG2 GLU 18 3.810 -0.419 -15.962 126 2HG GLU 18 HG1 GLU 18 3.142 -1.472 -17.208 127 H ASP 19 HN ASP 19 0.802 -3.343 -13.164 128 HA ASP 19 HA ASP 19 -1.762 -1.988 -12.755 129 1HB ASP 19 HB2 ASP 19 -2.632 -3.978 -12.123 130 2HB ASP 19 HB1 ASP 19 -1.292 -4.599 -13.061 131 H ARG 20 HN ARG 20 -2.389 -2.674 -10.189 132 HA ARG 20 HA ARG 20 -0.305 -1.630 -8.439 133 1HB ARG 20 HB2 ARG 20 -2.512 -0.048 -9.324 134 2HB ARG 20 HB1 ARG 20 -2.747 -0.397 -7.624 135 1HG ARG 20 HG2 ARG 20 -1.362 1.257 -7.137 136 2HG ARG 20 HG1 ARG 20 -0.059 0.348 -7.888 137 1HD ARG 20 HD2 ARG 20 0.100 1.960 -9.415 138 2HD ARG 20 HD1 ARG 20 -1.478 1.495 -10.007 139 HE ARG 20 HE ARG 20 -2.419 3.182 -8.534 140 1HH1 ARG 20 1HH1 ARG 20 0.999 3.406 -9.199 141 2HH1 ARG 20 2HH1 ARG 20 1.081 5.089 -8.819 142 1HH2 ARG 20 1HH2 ARG 20 -2.310 5.389 -8.052 143 2HH2 ARG 20 2HH2 ARG 20 -0.794 6.218 -8.179 144 H VAL 21 HN VAL 21 -0.145 -3.155 -6.884 145 HA VAL 21 HA VAL 21 -2.489 -4.747 -6.170 146 HB VAL 21 HB VAL 21 -0.894 -6.139 -4.891 147 1HG1 VAL 21 1HG1 VAL 21 -1.356 -6.451 -7.377 148 2HG1 VAL 21 2HG1 VAL 21 0.089 -7.230 -6.727 149 3HG1 VAL 21 3HG1 VAL 21 0.227 -5.730 -7.648 150 1HG2 VAL 21 1HG2 VAL 21 0.831 -3.859 -5.365 151 2HG2 VAL 21 2HG2 VAL 21 1.592 -5.384 -5.817 152 3HG2 VAL 21 3HG2 VAL 21 0.972 -5.158 -4.182 153 H THR 22 HN THR 22 -2.752 -5.291 -3.789 154 HA THR 22 HA THR 22 -2.281 -2.885 -2.144 155 HB THR 22 HB THR 22 -4.535 -4.898 -1.935 156 HG1 THR 22 HG1 THR 22 -4.867 -3.472 -3.635 157 1HG2 THR 22 1HG2 THR 22 -4.867 -4.192 0.131 158 2HG2 THR 22 2HG2 THR 22 -5.138 -2.568 -0.499 159 3HG2 THR 22 3HG2 THR 22 -3.519 -3.061 0.004 160 H ILE 23 HN ILE 23 -0.667 -3.273 -0.737 161 HA ILE 23 HA ILE 23 -0.582 -5.942 0.514 162 HB ILE 23 HB ILE 23 1.908 -5.727 0.531 163 1HG1 ILE 23 2HG1 ILE 23 1.912 -3.873 -1.737 164 2HG1 ILE 23 1HG1 ILE 23 1.454 -3.133 -0.205 165 1HG2 ILE 23 1HG2 ILE 23 1.442 -5.705 -2.320 166 2HG2 ILE 23 2HG2 ILE 23 0.197 -6.612 -1.466 167 3HG2 ILE 23 3HG2 ILE 23 1.895 -7.044 -1.265 168 1HD1 ILE 23 1HD1 ILE 23 3.503 -3.846 0.808 169 2HD1 ILE 23 2HD1 ILE 23 3.868 -3.002 -0.694 170 3HD1 ILE 23 3HD1 ILE 23 3.944 -4.756 -0.631 171 H ASP 24 HN ASP 24 0.190 -6.093 2.604 172 HA ASP 24 HA ASP 24 0.469 -3.564 4.119 173 1HB ASP 24 HB2 ASP 24 -0.354 -4.977 6.092 174 2HB ASP 24 HB1 ASP 24 -1.561 -4.569 4.883 175 H PHE 25 HN PHE 25 2.436 -3.383 5.200 176 HA PHE 25 HA PHE 25 3.886 -5.854 5.803 177 1HB PHE 25 HB2 PHE 25 5.917 -5.136 4.752 178 2HB PHE 25 HB1 PHE 25 4.617 -5.082 3.567 179 HD1 PHE 25 HD1 PHE 25 4.340 -3.201 2.280 180 HD2 PHE 25 HD2 PHE 25 6.451 -2.875 5.960 181 HE1 PHE 25 HE1 PHE 25 4.887 -0.864 1.767 182 HE2 PHE 25 HE2 PHE 25 7.002 -0.532 5.436 183 HZ PHE 25 HZ PHE 25 6.203 0.472 3.333 184 H THR 26 HN THR 26 5.900 -5.479 7.011 185 HA THR 26 HA THR 26 5.984 -3.040 8.612 186 HB THR 26 HB THR 26 5.653 -5.775 9.862 187 HG1 THR 26 HG1 THR 26 3.689 -4.935 10.600 188 1HG2 THR 26 1HG2 THR 26 6.684 -4.890 11.616 189 2HG2 THR 26 2HG2 THR 26 5.237 -3.903 11.820 190 3HG2 THR 26 3HG2 THR 26 6.625 -3.263 10.940 191 H GLY 27 HN GLY 27 8.072 -2.426 8.576 192 1HA GLY 27 HA2 GLY 27 10.154 -4.255 9.362 193 2HA GLY 27 HA1 GLY 27 10.222 -3.847 7.661 194 H SER 28 HN SER 28 12.362 -3.266 9.094 195 HA SER 28 HA SER 28 12.205 -0.379 9.685 196 1HB SER 28 HB2 SER 28 14.677 -1.224 10.604 197 2HB SER 28 HB1 SER 28 13.230 -1.031 11.592 198 HG SER 28 HG SER 28 14.435 -3.344 10.641 199 H VAL 29 HN VAL 29 14.654 0.500 9.433 200 HA VAL 29 HA VAL 29 15.493 -0.165 6.710 201 HB VAL 29 HB VAL 29 14.507 1.950 6.490 202 1HG1 VAL 29 1HG1 VAL 29 14.979 2.270 9.189 203 2HG1 VAL 29 2HG1 VAL 29 14.237 3.445 8.107 204 3HG1 VAL 29 3HG1 VAL 29 15.966 3.522 8.438 205 1HG2 VAL 29 1HG2 VAL 29 16.895 3.406 6.675 206 2HG2 VAL 29 2HG2 VAL 29 16.218 2.614 5.253 207 3HG2 VAL 29 3HG2 VAL 29 17.361 1.753 6.279 208 H ASP 30 HN ASP 30 16.961 1.889 9.229 209 HA ASP 30 HA ASP 30 19.457 0.438 8.805 210 1HB ASP 30 HB2 ASP 30 18.942 3.128 9.082 211 2HB ASP 30 HB1 ASP 30 19.502 2.686 10.692 212 H GLY 31 HN GLY 31 17.409 -0.945 10.153 213 1HA GLY 31 HA2 GLY 31 17.661 -2.483 11.939 214 2HA GLY 31 HA1 GLY 31 18.719 -1.334 12.747 215 H GLU 32 HN GLU 32 16.547 0.730 11.883 216 HA GLU 32 HA GLU 32 14.619 0.114 14.014 217 1HB GLU 32 HB2 GLU 32 15.894 2.798 13.448 218 2HB GLU 32 HB1 GLU 32 14.629 2.503 14.633 219 1HG GLU 32 HG2 GLU 32 16.210 0.885 15.741 220 2HG GLU 32 HG1 GLU 32 17.462 1.509 14.670 221 H GLU 33 HN GLU 33 12.581 0.192 13.355 222 HA GLU 33 HA GLU 33 11.888 0.840 10.709 223 1HB GLU 33 HB2 GLU 33 9.544 0.488 11.508 224 2HB GLU 33 HB1 GLU 33 10.630 -0.851 11.841 225 1HG GLU 33 HG2 GLU 33 10.607 -0.493 14.099 226 2HG GLU 33 HG1 GLU 33 10.238 1.222 13.934 227 H PHE 34 HN PHE 34 11.605 2.765 9.862 228 HA PHE 34 HA PHE 34 11.357 5.094 11.500 229 1HB PHE 34 HB2 PHE 34 11.767 6.309 9.500 230 2HB PHE 34 HB1 PHE 34 12.823 4.906 9.490 231 HD1 PHE 34 HD1 PHE 34 10.647 2.889 8.590 232 HD2 PHE 34 HD2 PHE 34 11.791 6.742 7.190 233 HE1 PHE 34 HE1 PHE 34 9.833 2.310 6.354 234 HE2 PHE 34 HE2 PHE 34 10.970 6.165 4.942 235 HZ PHE 34 HZ PHE 34 9.992 3.947 4.524 236 H GLU 35 HN GLU 35 9.860 6.256 9.054 237 HA GLU 35 HA GLU 35 7.313 6.406 10.318 238 1HB GLU 35 HB2 GLU 35 8.023 7.272 7.512 239 2HB GLU 35 HB1 GLU 35 6.670 7.832 8.485 240 1HG GLU 35 HG2 GLU 35 8.136 8.975 9.984 241 2HG GLU 35 HG1 GLU 35 9.554 8.273 9.206 242 H GLY 36 HN GLY 36 8.403 5.064 7.202 243 1HA GLY 36 HA2 GLY 36 5.880 3.749 6.742 244 2HA GLY 36 HA1 GLY 36 7.320 3.628 5.742 245 H GLY 37 HN GLY 37 7.929 3.018 9.032 246 1HA GLY 37 HA2 GLY 37 8.826 0.427 8.618 247 2HA GLY 37 HA1 GLY 37 8.433 1.114 10.182 248 H LYS 38 HN LYS 38 5.609 1.475 8.768 249 HA LYS 38 HA LYS 38 4.715 -1.285 8.857 250 1HB LYS 38 HB2 LYS 38 4.277 0.631 11.007 251 2HB LYS 38 HB1 LYS 38 2.771 -0.019 10.375 252 1HG LYS 38 HG2 LYS 38 3.071 -1.857 11.564 253 2HG LYS 38 HG1 LYS 38 4.556 -2.188 10.671 254 1HD LYS 38 HD2 LYS 38 4.984 -2.132 13.067 255 2HD LYS 38 HD1 LYS 38 5.810 -0.799 12.256 256 1HE LYS 38 HE2 LYS 38 4.054 0.731 12.933 257 2HE LYS 38 HE1 LYS 38 3.160 -0.593 13.680 258 1HZ LYS 38 HZ1 LYS 38 5.800 0.472 14.528 259 2HZ LYS 38 HZ2 LYS 38 5.081 -0.913 15.181 260 3HZ LYS 38 HZ3 LYS 38 4.335 0.594 15.368 261 H ALA 39 HN ALA 39 3.207 -1.657 7.396 262 HA ALA 39 HA ALA 39 1.496 0.525 6.464 263 1HB ALA 39 HB1 ALA 39 1.894 -0.530 4.091 264 2HB ALA 39 HB2 ALA 39 3.438 -1.012 4.800 265 3HB ALA 39 HB3 ALA 39 2.994 0.693 4.731 266 H SER 40 HN SER 40 -0.522 -0.112 5.812 267 HA SER 40 HA SER 40 -1.123 -2.978 6.127 268 1HB SER 40 HB2 SER 40 -3.412 -2.240 6.818 269 2HB SER 40 HB1 SER 40 -2.141 -1.723 7.924 270 HG SER 40 HG SER 40 -2.273 0.329 7.104 271 H ASP 41 HN ASP 41 -2.462 -0.043 4.583 272 HA ASP 41 HA ASP 41 -3.324 -1.680 2.336 273 1HB ASP 41 HB2 ASP 41 -4.683 0.410 1.774 274 2HB ASP 41 HB1 ASP 41 -5.200 -0.491 3.196 275 H PHE 42 HN PHE 42 -0.927 -1.638 1.828 276 HA PHE 42 HA PHE 42 -0.024 0.942 0.808 277 1HB PHE 42 HB2 PHE 42 1.490 -0.558 2.190 278 2HB PHE 42 HB1 PHE 42 1.536 -1.643 0.808 279 HD1 PHE 42 HD1 PHE 42 3.735 -1.516 0.057 280 HD2 PHE 42 HD2 PHE 42 1.590 2.067 0.868 281 HE1 PHE 42 HE1 PHE 42 5.565 -0.203 -0.925 282 HE2 PHE 42 HE2 PHE 42 3.420 3.388 -0.106 283 HZ PHE 42 HZ PHE 42 5.413 2.253 -1.005 284 H VAL 43 HN VAL 43 -0.875 1.394 -1.124 285 HA VAL 43 HA VAL 43 -1.458 -0.656 -3.038 286 HB VAL 43 HB VAL 43 -2.867 1.347 -2.758 287 1HG1 VAL 43 1HG1 VAL 43 -2.208 3.502 -3.241 288 2HG1 VAL 43 2HG1 VAL 43 -0.840 2.978 -4.222 289 3HG1 VAL 43 3HG1 VAL 43 -0.768 2.841 -2.466 290 1HG2 VAL 43 1HG2 VAL 43 -3.527 0.817 -4.813 291 2HG2 VAL 43 2HG2 VAL 43 -1.914 0.231 -5.218 292 3HG2 VAL 43 3HG2 VAL 43 -2.320 1.930 -5.457 293 H LEU 44 HN LEU 44 0.350 -1.613 -3.824 294 HA LEU 44 HA LEU 44 2.587 0.020 -4.701 295 1HB LEU 44 HB2 LEU 44 2.385 -2.537 -3.643 296 2HB LEU 44 HB1 LEU 44 2.735 -2.819 -5.339 297 HG LEU 44 HG LEU 44 4.400 -1.276 -3.357 298 1HD1 LEU 44 1HD1 LEU 44 4.836 -3.574 -3.159 299 2HD1 LEU 44 2HD1 LEU 44 6.113 -2.940 -4.191 300 3HD1 LEU 44 3HD1 LEU 44 4.765 -3.822 -4.904 301 1HD2 LEU 44 1HD2 LEU 44 4.363 -1.209 -6.321 302 2HD2 LEU 44 2HD2 LEU 44 5.935 -1.255 -5.521 303 3HD2 LEU 44 3HD2 LEU 44 4.801 0.046 -5.161 304 H ALA 45 HN ALA 45 3.180 0.334 -6.786 305 HA ALA 45 HA ALA 45 1.206 -0.456 -8.818 306 1HB ALA 45 HB1 ALA 45 3.317 1.656 -9.134 307 2HB ALA 45 HB2 ALA 45 1.749 1.975 -8.389 308 3HB ALA 45 HB3 ALA 45 1.835 1.430 -10.065 309 H MET 46 HN MET 46 1.828 -2.332 -9.753 310 HA MET 46 HA MET 46 4.553 -3.093 -10.048 311 1HB MET 46 HB2 MET 46 1.968 -4.275 -10.490 312 2HB MET 46 HB1 MET 46 3.028 -4.616 -11.849 313 1HG MET 46 HG2 MET 46 3.603 -5.187 -8.952 314 2HG MET 46 HG1 MET 46 3.147 -6.364 -10.179 315 1HE MET 46 HE1 MET 46 4.948 -7.767 -11.447 316 2HE MET 46 HE2 MET 46 6.212 -6.886 -12.308 317 3HE MET 46 HE3 MET 46 4.522 -6.426 -12.510 318 H GLY 47 HN GLY 47 5.488 -1.368 -11.117 319 1HA GLY 47 HA2 GLY 47 6.574 -0.915 -13.213 320 2HA GLY 47 HA1 GLY 47 5.118 -1.452 -14.038 321 H GLN 48 HN GLN 48 6.123 1.066 -11.715 322 HA GLN 48 HA GLN 48 4.542 2.990 -13.291 323 1HB GLN 48 HB2 GLN 48 3.599 2.362 -10.990 324 2HB GLN 48 HB1 GLN 48 4.975 3.225 -10.315 325 1HG GLN 48 HG2 GLN 48 3.487 4.737 -12.328 326 2HG GLN 48 HG1 GLN 48 2.553 4.322 -10.892 327 1HE2 GLN 48 1HE2 GLN 48 2.457 6.151 -9.768 328 2HE2 GLN 48 2HE2 GLN 48 3.816 7.100 -9.283 329 H GLY 49 HN GLY 49 6.931 3.086 -10.639 330 1HA GLY 49 HA2 GLY 49 8.332 5.228 -12.087 331 2HA GLY 49 HA1 GLY 49 8.496 4.873 -10.373 332 H ARG 50 HN ARG 50 9.165 2.380 -10.126 333 HA ARG 50 HA ARG 50 10.867 1.178 -11.968 334 1HB ARG 50 HB2 ARG 50 13.081 1.739 -11.093 335 2HB ARG 50 HB1 ARG 50 12.271 3.171 -11.708 336 1HG ARG 50 HG2 ARG 50 12.371 4.186 -9.739 337 2HG ARG 50 HG1 ARG 50 11.751 2.772 -8.890 338 1HD ARG 50 HD2 ARG 50 14.047 3.477 -8.191 339 2HD ARG 50 HD1 ARG 50 13.930 1.809 -8.751 340 HE ARG 50 HE ARG 50 15.421 2.337 -10.380 341 1HH1 ARG 50 1HH1 ARG 50 13.839 5.285 -9.380 342 2HH1 ARG 50 2HH1 ARG 50 14.768 6.290 -10.439 343 1HH2 ARG 50 1HH2 ARG 50 16.654 3.662 -11.760 344 2HH2 ARG 50 2HH2 ARG 50 16.372 5.371 -11.780 345 H MET 51 HN MET 51 9.297 -0.258 -10.739 346 HA MET 51 HA MET 51 9.499 -0.977 -8.103 347 1HB MET 51 HB2 MET 51 8.065 -1.911 -10.161 348 2HB MET 51 HB1 MET 51 9.244 -3.211 -10.043 349 1HG MET 51 HG2 MET 51 7.856 -4.086 -8.541 350 2HG MET 51 HG1 MET 51 8.515 -2.877 -7.439 351 1HE MET 51 HE1 MET 51 7.461 -0.242 -8.552 352 2HE MET 51 HE2 MET 51 7.173 -0.523 -6.835 353 3HE MET 51 HE3 MET 51 5.852 0.015 -7.874 354 H ILE 52 HN ILE 52 11.229 -1.440 -6.950 355 HA ILE 52 HA ILE 52 13.674 -2.378 -8.063 356 HB ILE 52 HB ILE 52 14.079 -2.899 -5.457 357 1HG1 ILE 52 2HG1 ILE 52 11.980 -0.716 -5.441 358 2HG1 ILE 52 1HG1 ILE 52 11.739 -2.353 -4.835 359 1HG2 ILE 52 1HG2 ILE 52 14.120 -0.211 -6.809 360 2HG2 ILE 52 2HG2 ILE 52 15.421 -1.399 -6.740 361 3HG2 ILE 52 3HG2 ILE 52 14.913 -0.562 -5.274 362 1HD1 ILE 52 1HD1 ILE 52 12.915 -1.964 -2.946 363 2HD1 ILE 52 2HD1 ILE 52 12.401 -0.309 -3.274 364 3HD1 ILE 52 3HD1 ILE 52 14.020 -0.837 -3.730 365 HA PRO 53 HA PRO 53 13.380 -6.760 -7.943 366 1HB PRO 53 HB2 PRO 53 15.577 -7.537 -6.484 367 2HB PRO 53 HB1 PRO 53 15.632 -7.045 -8.180 368 1HG PRO 53 HG2 PRO 53 16.248 -5.455 -5.723 369 2HG PRO 53 HG1 PRO 53 17.112 -5.502 -7.272 370 1HD PRO 53 HD2 PRO 53 15.456 -3.487 -6.656 371 2HD PRO 53 HD1 PRO 53 15.573 -4.112 -8.314 372 H GLY 54 HN GLY 54 13.403 -4.975 -5.011 373 1HA GLY 54 HA2 GLY 54 12.940 -7.186 -3.236 374 2HA GLY 54 HA1 GLY 54 12.771 -5.479 -2.860 375 H PHE 55 HN PHE 55 10.856 -4.447 -4.132 376 HA PHE 55 HA PHE 55 8.503 -5.672 -3.173 377 1HB PHE 55 HB2 PHE 55 9.103 -3.290 -4.893 378 2HB PHE 55 HB1 PHE 55 7.448 -3.859 -4.764 379 HD1 PHE 55 HD1 PHE 55 6.767 -4.324 -2.148 380 HD2 PHE 55 HD2 PHE 55 9.676 -1.556 -3.549 381 HE1 PHE 55 HE1 PHE 55 6.492 -3.012 -0.102 382 HE2 PHE 55 HE2 PHE 55 9.403 -0.231 -1.493 383 HZ PHE 55 HZ PHE 55 7.809 -0.960 0.236 384 H GLU 56 HN GLU 56 9.766 -5.155 -6.452 385 HA GLU 56 HA GLU 56 7.751 -6.358 -7.906 386 1HB GLU 56 HB2 GLU 56 10.135 -5.237 -8.535 387 2HB GLU 56 HB1 GLU 56 10.507 -6.932 -8.822 388 1HG GLU 56 HG2 GLU 56 8.566 -7.072 -10.329 389 2HG GLU 56 HG1 GLU 56 8.275 -5.352 -10.079 390 H ASP 57 HN ASP 57 10.078 -7.797 -5.810 391 HA ASP 57 HA ASP 57 10.006 -10.427 -6.884 392 1HB ASP 57 HB2 ASP 57 11.383 -9.085 -4.799 393 2HB ASP 57 HB1 ASP 57 10.575 -10.469 -4.076 394 H GLY 58 HN GLY 58 8.889 -9.553 -3.606 395 1HA GLY 58 HA2 GLY 58 7.040 -11.713 -3.579 396 2HA GLY 58 HA1 GLY 58 7.178 -10.450 -2.369 397 H ILE 59 HN ILE 59 6.571 -8.197 -3.749 398 HA ILE 59 HA ILE 59 3.740 -8.439 -4.064 399 HB ILE 59 HB ILE 59 5.492 -6.007 -4.529 400 1HG1 ILE 59 2HG1 ILE 59 4.769 -5.561 -2.079 401 2HG1 ILE 59 1HG1 ILE 59 4.544 -7.286 -1.981 402 1HG2 ILE 59 1HG2 ILE 59 3.449 -5.272 -5.160 403 2HG2 ILE 59 2HG2 ILE 59 3.224 -5.089 -3.422 404 3HG2 ILE 59 3HG2 ILE 59 2.596 -6.515 -4.247 405 1HD1 ILE 59 1HD1 ILE 59 6.848 -5.947 -1.443 406 2HD1 ILE 59 2HD1 ILE 59 7.103 -6.478 -3.097 407 3HD1 ILE 59 3HD1 ILE 59 6.739 -7.656 -1.847 408 H LYS 60 HN LYS 60 5.208 -9.825 -5.922 409 HA LYS 60 HA LYS 60 5.428 -8.630 -8.477 410 1HB LYS 60 HB2 LYS 60 4.718 -10.959 -9.373 411 2HB LYS 60 HB1 LYS 60 6.220 -10.842 -8.473 412 1HG LYS 60 HG2 LYS 60 4.564 -11.437 -6.459 413 2HG LYS 60 HG1 LYS 60 3.698 -12.208 -7.789 414 1HD LYS 60 HD2 LYS 60 6.620 -12.646 -7.186 415 2HD LYS 60 HD1 LYS 60 5.325 -13.701 -6.625 416 1HE LYS 60 HE2 LYS 60 4.701 -14.200 -8.915 417 2HE LYS 60 HE1 LYS 60 5.916 -13.072 -9.514 418 1HZ LYS 60 HZ1 LYS 60 6.942 -15.108 -7.737 419 2HZ LYS 60 HZ2 LYS 60 7.551 -14.555 -9.216 420 3HZ LYS 60 HZ3 LYS 60 6.312 -15.708 -9.190 421 H GLY 61 HN GLY 61 2.778 -10.285 -6.906 422 1HA GLY 61 HA2 GLY 61 0.562 -9.245 -6.784 423 2HA GLY 61 HA1 GLY 61 0.841 -8.665 -8.423 424 H HIS 62 HN HIS 62 1.424 -11.776 -6.914 425 HA HIS 62 HA HIS 62 -0.430 -12.995 -8.876 426 1HB HIS 62 HB2 HIS 62 1.038 -14.823 -9.225 427 2HB HIS 62 HB1 HIS 62 2.028 -13.374 -9.343 428 HD2 HIS 62 HD2 HIS 62 2.255 -13.264 -5.881 429 HE1 HIS 62 HE1 HIS 62 4.549 -16.753 -6.644 430 HE2 HIS 62 HE2 HIS 62 4.042 -14.913 -4.998 431 H LYS 63 HN LYS 63 0.361 -12.660 -5.594 432 HA LYS 63 HA LYS 63 -1.379 -14.944 -4.939 433 1HB LYS 63 HB2 LYS 63 1.026 -13.870 -3.475 434 2HB LYS 63 HB1 LYS 63 -0.152 -14.922 -2.703 435 1HG LYS 63 HG2 LYS 63 1.089 -15.785 -5.266 436 2HG LYS 63 HG1 LYS 63 2.022 -15.897 -3.773 437 1HD LYS 63 HD2 LYS 63 0.950 -17.765 -3.220 438 2HD LYS 63 HD1 LYS 63 -0.597 -16.921 -3.288 439 1HE LYS 63 HE2 LYS 63 -0.457 -17.265 -5.822 440 2HE LYS 63 HE1 LYS 63 0.816 -18.431 -5.466 441 1HZ LYS 63 HZ1 LYS 63 -0.645 -19.876 -4.513 442 2HZ LYS 63 HZ2 LYS 63 -1.676 -19.162 -5.647 443 3HZ LYS 63 HZ3 LYS 63 -1.728 -18.668 -4.031 444 H ALA 64 HN ALA 64 -3.205 -13.521 -5.090 445 HA ALA 64 HA ALA 64 -3.516 -11.163 -3.612 446 1HB ALA 64 HB1 ALA 64 -5.597 -13.145 -4.529 447 2HB ALA 64 HB2 ALA 64 -5.032 -11.726 -5.411 448 3HB ALA 64 HB3 ALA 64 -5.943 -11.529 -3.914 449 H GLY 65 HN GLY 65 -2.878 -11.282 -1.488 450 1HA GLY 65 HA2 GLY 65 -3.727 -11.495 0.748 451 2HA GLY 65 HA1 GLY 65 -4.568 -12.954 0.248 452 H GLU 66 HN GLU 66 -1.203 -12.123 -0.402 453 HA GLU 66 HA GLU 66 -0.384 -14.608 0.910 454 1HB GLU 66 HB2 GLU 66 0.286 -13.571 -1.501 455 2HB GLU 66 HB1 GLU 66 1.616 -12.978 -0.522 456 1HG GLU 66 HG2 GLU 66 1.720 -15.471 0.282 457 2HG GLU 66 HG1 GLU 66 0.887 -15.770 -1.242 458 H GLU 67 HN GLU 67 1.728 -14.587 2.046 459 HA GLU 67 HA GLU 67 2.331 -12.082 3.438 460 1HB GLU 67 HB2 GLU 67 2.564 -13.378 5.576 461 2HB GLU 67 HB1 GLU 67 0.911 -13.222 4.999 462 1HG GLU 67 HG2 GLU 67 0.659 -15.424 4.773 463 2HG GLU 67 HG1 GLU 67 2.248 -15.626 4.037 464 H PHE 68 HN PHE 68 4.335 -11.715 2.664 465 HA PHE 68 HA PHE 68 6.333 -13.855 3.006 466 1HB PHE 68 HB2 PHE 68 7.342 -13.105 0.814 467 2HB PHE 68 HB1 PHE 68 5.794 -13.942 0.682 468 HD1 PHE 68 HD1 PHE 68 3.883 -12.868 -0.168 469 HD2 PHE 68 HD2 PHE 68 7.431 -10.659 0.605 470 HE1 PHE 68 HE1 PHE 68 2.933 -10.942 -1.347 471 HE2 PHE 68 HE2 PHE 68 6.482 -8.720 -0.585 472 HZ PHE 68 HZ PHE 68 4.227 -8.868 -1.565 473 H THR 69 HN THR 69 8.606 -12.988 2.771 474 HA THR 69 HA THR 69 8.785 -10.244 3.811 475 HB THR 69 HB THR 69 10.426 -12.629 4.683 476 HG1 THR 69 HG1 THR 69 9.352 -12.333 6.644 477 1HG2 THR 69 1HG2 THR 69 10.900 -9.787 4.964 478 2HG2 THR 69 2HG2 THR 69 11.956 -11.155 5.316 479 3HG2 THR 69 3HG2 THR 69 10.788 -10.609 6.520 480 H ILE 70 HN ILE 70 9.834 -8.988 2.438 481 HA ILE 70 HA ILE 70 12.142 -10.096 0.985 482 HB ILE 70 HB ILE 70 11.581 -8.979 -1.030 483 1HG1 ILE 70 2HG1 ILE 70 10.640 -6.915 -0.027 484 2HG1 ILE 70 1HG1 ILE 70 9.638 -7.547 -1.327 485 1HG2 ILE 70 1HG2 ILE 70 9.023 -9.847 -1.201 486 2HG2 ILE 70 2HG2 ILE 70 9.594 -10.738 0.209 487 3HG2 ILE 70 3HG2 ILE 70 10.444 -10.883 -1.327 488 1HD1 ILE 70 1HD1 ILE 70 9.068 -7.277 1.551 489 2HD1 ILE 70 2HD1 ILE 70 8.449 -8.727 0.758 490 3HD1 ILE 70 3HD1 ILE 70 8.000 -7.130 0.150 491 H ASP 71 HN ASP 71 13.598 -8.364 0.118 492 HA ASP 71 HA ASP 71 13.867 -6.248 2.121 493 1HB ASP 71 HB2 ASP 71 15.791 -7.859 1.465 494 2HB ASP 71 HB1 ASP 71 15.891 -6.911 -0.017 495 H VAL 72 HN VAL 72 14.166 -4.037 1.431 496 HA VAL 72 HA VAL 72 13.720 -3.455 -1.371 497 HB VAL 72 HB VAL 72 11.784 -2.717 0.753 498 1HG1 VAL 72 1HG1 VAL 72 11.156 -0.768 -0.153 499 2HG1 VAL 72 2HG1 VAL 72 11.355 -1.372 -1.796 500 3HG1 VAL 72 3HG1 VAL 72 12.748 -0.776 -0.900 501 1HG2 VAL 72 1HG2 VAL 72 11.339 -3.645 -2.060 502 2HG2 VAL 72 2HG2 VAL 72 10.134 -3.507 -0.779 503 3HG2 VAL 72 3HG2 VAL 72 11.417 -4.712 -0.659 504 H THR 73 HN THR 73 14.827 -1.642 -2.020 505 HA THR 73 HA THR 73 15.602 0.364 -0.078 506 HB THR 73 HB THR 73 17.548 -1.430 -1.536 507 HG1 THR 73 HG1 THR 73 17.373 -2.135 0.471 508 1HG2 THR 73 1HG2 THR 73 19.232 0.268 -0.387 509 2HG2 THR 73 2HG2 THR 73 17.933 1.398 -0.770 510 3HG2 THR 73 3HG2 THR 73 18.685 0.452 -2.054 511 H PHE 74 HN PHE 74 15.323 2.306 -1.053 512 HA PHE 74 HA PHE 74 14.812 2.347 -3.885 513 1HB PHE 74 HB2 PHE 74 14.590 4.412 -1.716 514 2HB PHE 74 HB1 PHE 74 14.277 4.775 -3.410 515 HD1 PHE 74 HD1 PHE 74 13.366 2.064 -0.998 516 HD2 PHE 74 HD2 PHE 74 12.072 4.799 -3.976 517 HE1 PHE 74 HE1 PHE 74 11.064 1.221 -0.769 518 HE2 PHE 74 HE2 PHE 74 9.769 3.977 -3.754 519 HZ PHE 74 HZ PHE 74 9.260 2.187 -2.144 520 HA PRO 75 HA PRO 75 18.953 3.518 -4.983 521 1HB PRO 75 HB2 PRO 75 18.431 4.355 -7.523 522 2HB PRO 75 HB1 PRO 75 18.558 2.653 -7.065 523 1HG PRO 75 HG2 PRO 75 16.114 4.337 -7.455 524 2HG PRO 75 HG1 PRO 75 16.419 2.668 -7.976 525 1HD PRO 75 HD2 PRO 75 14.948 3.243 -5.793 526 2HD PRO 75 HD1 PRO 75 15.982 1.802 -5.882 527 H GLU 76 HN GLU 76 20.015 5.439 -6.152 528 HA GLU 76 HA GLU 76 19.244 7.827 -4.776 529 1HB GLU 76 HB2 GLU 76 21.184 8.820 -6.067 530 2HB GLU 76 HB1 GLU 76 21.574 7.469 -5.011 531 1HG GLU 76 HG2 GLU 76 20.897 6.633 -7.710 532 2HG GLU 76 HG1 GLU 76 22.280 7.725 -7.651 533 H GLU 77 HN GLU 77 18.195 6.433 -7.615 534 HA GLU 77 HA GLU 77 17.761 8.919 -9.055 535 1HB GLU 77 HB2 GLU 77 16.615 6.267 -9.855 536 2HB GLU 77 HB1 GLU 77 17.092 7.613 -10.876 537 1HG GLU 77 HG2 GLU 77 19.170 6.179 -9.296 538 2HG GLU 77 HG1 GLU 77 18.525 5.433 -10.756 539 H TYR 78 HN TYR 78 15.967 6.521 -7.223 540 HA TYR 78 HA TYR 78 13.362 7.445 -7.809 541 1HB TYR 78 HB2 TYR 78 14.173 5.252 -6.639 542 2HB TYR 78 HB1 TYR 78 14.073 6.204 -5.165 543 HD1 TYR 78 HD1 TYR 78 12.312 4.182 -7.452 544 HD2 TYR 78 HD2 TYR 78 11.789 7.363 -4.678 545 HE1 TYR 78 HE1 TYR 78 9.911 3.677 -7.340 546 HE2 TYR 78 HE2 TYR 78 9.385 6.868 -4.559 547 HH TYR 78 HH TYR 78 7.882 4.934 -4.955 548 H HIS 79 HN HIS 79 15.034 7.745 -4.704 549 HA HIS 79 HA HIS 79 14.680 9.209 -2.994 550 1HB HIS 79 HB2 HIS 79 15.721 10.749 -5.329 551 2HB HIS 79 HB1 HIS 79 15.427 11.567 -3.794 552 HD2 HIS 79 HD2 HIS 79 16.731 8.012 -3.291 553 HE1 HIS 79 HE1 HIS 79 20.071 10.607 -2.934 554 HE2 HIS 79 HE2 HIS 79 19.235 8.242 -2.690 555 H ALA 80 HN ALA 80 12.310 8.891 -2.890 556 HA ALA 80 HA ALA 80 10.676 11.005 -4.028 557 1HB ALA 80 HB1 ALA 80 10.023 8.512 -3.758 558 2HB ALA 80 HB2 ALA 80 8.820 9.757 -3.429 559 3HB ALA 80 HB3 ALA 80 9.657 8.966 -2.096 560 H GLU 81 HN GLU 81 9.543 12.525 -2.824 561 HA GLU 81 HA GLU 81 10.835 13.833 -0.810 562 1HB GLU 81 HB2 GLU 81 8.701 14.994 -0.376 563 2HB GLU 81 HB1 GLU 81 9.064 14.857 -2.091 564 1HG GLU 81 HG2 GLU 81 7.454 12.656 -1.041 565 2HG GLU 81 HG1 GLU 81 6.682 14.238 -0.920 566 H ASN 82 HN ASN 82 8.695 11.079 -0.410 567 HA ASN 82 HA ASN 82 8.562 11.556 2.461 568 1HB ASN 82 HB2 ASN 82 6.994 9.615 2.470 569 2HB ASN 82 HB1 ASN 82 6.480 10.971 1.473 570 1HD2 ASN 82 1HD2 ASN 82 8.177 7.883 1.306 571 2HD2 ASN 82 2HD2 ASN 82 7.605 7.453 -0.266 572 H LEU 83 HN LEU 83 9.956 9.120 0.270 573 HA LEU 83 HA LEU 83 11.424 8.099 2.603 574 1HB LEU 83 HB2 LEU 83 10.973 5.871 2.167 575 2HB LEU 83 HB1 LEU 83 9.432 6.670 1.975 576 HG LEU 83 HG LEU 83 9.325 5.318 0.163 577 1HD1 LEU 83 1HD1 LEU 83 9.688 7.786 -0.633 578 2HD1 LEU 83 2HD1 LEU 83 9.583 6.463 -1.786 579 3HD1 LEU 83 3HD1 LEU 83 11.157 7.118 -1.336 580 1HD2 LEU 83 1HD2 LEU 83 12.302 5.451 -0.175 581 2HD2 LEU 83 2HD2 LEU 83 11.182 4.390 -1.007 582 3HD2 LEU 83 3HD2 LEU 83 11.431 4.207 0.720 583 H LYS 84 HN LYS 84 12.050 9.757 0.138 584 HA LYS 84 HA LYS 84 13.546 8.707 -1.781 585 1HB LYS 84 HB2 LYS 84 15.148 10.623 -1.550 586 2HB LYS 84 HB1 LYS 84 13.451 11.074 -1.577 587 1HG LYS 84 HG2 LYS 84 13.430 11.459 0.769 588 2HG LYS 84 HG1 LYS 84 15.037 10.751 0.955 589 1HD LYS 84 HD2 LYS 84 16.099 12.592 0.107 590 2HD LYS 84 HD1 LYS 84 14.728 13.049 -0.904 591 1HE LYS 84 HE2 LYS 84 14.777 14.693 0.746 592 2HE LYS 84 HE1 LYS 84 13.531 13.576 1.301 593 1HZ LYS 84 HZ1 LYS 84 14.651 13.344 3.179 594 2HZ LYS 84 HZ2 LYS 84 15.874 14.372 2.624 595 3HZ LYS 84 HZ3 LYS 84 15.973 12.709 2.335 596 H GLY 85 HN GLY 85 15.210 7.416 -2.095 597 1HA GLY 85 HA2 GLY 85 16.900 5.928 -1.622 598 2HA GLY 85 HA1 GLY 85 17.622 7.310 -0.817 599 H LYS 86 HN LYS 86 14.855 5.184 -0.060 600 HA LYS 86 HA LYS 86 15.903 4.960 2.665 601 1HB LYS 86 HB2 LYS 86 13.559 5.720 2.300 602 2HB LYS 86 HB1 LYS 86 13.197 4.144 1.625 603 1HG LYS 86 HG2 LYS 86 14.422 4.155 4.302 604 2HG LYS 86 HG1 LYS 86 12.784 4.802 4.188 605 1HD LYS 86 HD2 LYS 86 13.709 2.085 3.273 606 2HD LYS 86 HD1 LYS 86 12.719 2.428 4.689 607 1HE LYS 86 HE2 LYS 86 10.959 2.076 3.363 608 2HE LYS 86 HE1 LYS 86 11.336 3.636 2.632 609 1HZ LYS 86 HZ1 LYS 86 12.563 1.117 1.678 610 2HZ LYS 86 HZ2 LYS 86 12.488 2.606 0.884 611 3HZ LYS 86 HZ3 LYS 86 11.087 1.683 1.076 612 H ALA 87 HN ALA 87 17.523 3.415 2.324 613 HA ALA 87 HA ALA 87 16.931 0.855 1.146 614 1HB ALA 87 HB1 ALA 87 19.326 1.505 2.847 615 2HB ALA 87 HB2 ALA 87 19.205 2.010 1.161 616 3HB ALA 87 HB3 ALA 87 19.185 0.296 1.571 617 H ALA 88 HN ALA 88 15.419 -0.307 2.269 618 HA ALA 88 HA ALA 88 16.071 -0.896 5.078 619 1HB ALA 88 HB1 ALA 88 14.049 0.792 4.353 620 2HB ALA 88 HB2 ALA 88 14.168 -0.049 5.889 621 3HB ALA 88 HB3 ALA 88 13.218 -0.736 4.582 622 H LYS 89 HN LYS 89 14.060 -2.417 5.794 623 HA LYS 89 HA LYS 89 13.836 -4.648 3.906 624 1HB LYS 89 HB2 LYS 89 14.838 -4.721 6.753 625 2HB LYS 89 HB1 LYS 89 14.141 -6.143 5.987 626 1HG LYS 89 HG2 LYS 89 15.877 -6.258 4.396 627 2HG LYS 89 HG1 LYS 89 16.453 -4.640 4.798 628 1HD LYS 89 HD2 LYS 89 16.433 -6.872 6.812 629 2HD LYS 89 HD1 LYS 89 17.787 -6.619 5.709 630 1HE LYS 89 HE2 LYS 89 17.131 -4.111 6.852 631 2HE LYS 89 HE1 LYS 89 17.207 -5.289 8.161 632 1HZ LYS 89 HZ1 LYS 89 19.351 -5.297 6.168 633 2HZ LYS 89 HZ2 LYS 89 19.410 -5.673 7.815 634 3HZ LYS 89 HZ3 LYS 89 19.341 -4.058 7.320 635 H PHE 90 HN PHE 90 11.811 -5.686 4.037 636 HA PHE 90 HA PHE 90 10.070 -4.944 6.237 637 1HB PHE 90 HB2 PHE 90 8.753 -4.953 3.578 638 2HB PHE 90 HB1 PHE 90 8.332 -4.072 5.037 639 HD1 PHE 90 HD1 PHE 90 8.919 -3.514 1.871 640 HD2 PHE 90 HD2 PHE 90 10.666 -2.470 5.599 641 HE1 PHE 90 HE1 PHE 90 9.784 -1.439 0.882 642 HE2 PHE 90 HE2 PHE 90 11.528 -0.390 4.619 643 HZ PHE 90 HZ PHE 90 11.087 0.122 2.256 644 H ALA 91 HN ALA 91 8.065 -6.277 6.271 645 HA ALA 91 HA ALA 91 8.363 -8.866 4.932 646 1HB ALA 91 HB1 ALA 91 7.061 -8.623 7.626 647 2HB ALA 91 HB2 ALA 91 8.819 -8.721 7.535 648 3HB ALA 91 HB3 ALA 91 7.828 -10.027 6.882 649 H ILE 92 HN ILE 92 6.881 -8.588 3.397 650 HA ILE 92 HA ILE 92 4.477 -7.051 3.955 651 HB ILE 92 HB ILE 92 5.489 -8.122 1.330 652 1HG1 ILE 92 2HG1 ILE 92 6.142 -5.636 2.863 653 2HG1 ILE 92 1HG1 ILE 92 7.220 -6.749 2.062 654 1HG2 ILE 92 1HG2 ILE 92 3.430 -6.039 2.001 655 2HG2 ILE 92 2HG2 ILE 92 3.194 -7.567 1.150 656 3HG2 ILE 92 3HG2 ILE 92 4.111 -6.270 0.391 657 1HD1 ILE 92 1HD1 ILE 92 6.063 -4.320 1.103 658 2HD1 ILE 92 2HD1 ILE 92 5.627 -5.658 0.041 659 3HD1 ILE 92 3HD1 ILE 92 7.323 -5.319 0.384 660 H ASN 93 HN ASN 93 2.449 -7.618 2.985 661 HA ASN 93 HA ASN 93 1.934 -10.467 2.619 662 1HB ASN 93 HB2 ASN 93 0.227 -8.656 4.345 663 2HB ASN 93 HB1 ASN 93 -0.083 -10.355 4.003 664 1HD2 ASN 93 1HD2 ASN 93 0.268 -9.052 6.564 665 2HD2 ASN 93 2HD2 ASN 93 1.620 -9.813 7.325 666 H LEU 94 HN LEU 94 1.396 -10.452 0.506 667 HA LEU 94 HA LEU 94 0.219 -8.294 -0.854 668 1HB LEU 94 HB2 LEU 94 1.543 -10.177 -1.858 669 2HB LEU 94 HB1 LEU 94 0.113 -11.178 -1.701 670 HG LEU 94 HG LEU 94 -1.106 -9.612 -3.186 671 1HD1 LEU 94 1HD1 LEU 94 1.484 -8.169 -3.016 672 2HD1 LEU 94 2HD1 LEU 94 -0.163 -7.544 -3.110 673 3HD1 LEU 94 3HD1 LEU 94 0.628 -8.159 -4.559 674 1HD2 LEU 94 1HD2 LEU 94 0.437 -11.643 -3.886 675 2HD2 LEU 94 2HD2 LEU 94 1.338 -10.361 -4.693 676 3HD2 LEU 94 3HD2 LEU 94 -0.361 -10.625 -5.083 677 H LYS 95 HN LYS 95 -1.870 -8.111 -1.855 678 HA LYS 95 HA LYS 95 -3.979 -9.809 -0.826 679 1HB LYS 95 HB2 LYS 95 -3.843 -6.862 -0.208 680 2HB LYS 95 HB1 LYS 95 -5.325 -7.798 -0.102 681 1HG LYS 95 HG2 LYS 95 -3.580 -9.298 1.380 682 2HG LYS 95 HG1 LYS 95 -3.066 -7.647 1.732 683 1HD LYS 95 HD2 LYS 95 -4.706 -8.189 3.351 684 2HD LYS 95 HD1 LYS 95 -5.501 -7.128 2.186 685 1HE LYS 95 HE2 LYS 95 -7.086 -8.759 2.347 686 2HE LYS 95 HE1 LYS 95 -6.109 -9.433 1.044 687 1HZ LYS 95 HZ1 LYS 95 -5.638 -11.190 2.283 688 2HZ LYS 95 HZ2 LYS 95 -6.733 -10.633 3.446 689 3HZ LYS 95 HZ3 LYS 95 -5.094 -10.233 3.569 690 H LYS 96 HN LYS 96 -5.165 -6.801 -1.798 691 HA LYS 96 HA LYS 96 -6.324 -7.932 -4.125 692 1HB LYS 96 HB2 LYS 96 -6.550 -5.426 -2.635 693 2HB LYS 96 HB1 LYS 96 -6.798 -5.241 -4.365 694 1HG LYS 96 HG2 LYS 96 -8.634 -6.688 -4.375 695 2HG LYS 96 HG1 LYS 96 -8.228 -7.354 -2.792 696 1HD LYS 96 HD2 LYS 96 -9.933 -5.942 -2.207 697 2HD LYS 96 HD1 LYS 96 -8.557 -4.850 -2.035 698 1HE LYS 96 HE2 LYS 96 -9.983 -3.551 -3.276 699 2HE LYS 96 HE1 LYS 96 -9.051 -4.329 -4.555 700 1HZ LYS 96 HZ1 LYS 96 -10.967 -6.084 -4.369 701 2HZ LYS 96 HZ2 LYS 96 -11.157 -4.685 -5.299 702 3HZ LYS 96 HZ3 LYS 96 -11.832 -4.768 -3.751 703 H VAL 97 HN VAL 97 -5.072 -8.409 -5.804 704 HA VAL 97 HA VAL 97 -3.269 -6.356 -6.882 705 HB VAL 97 HB VAL 97 -2.009 -8.312 -6.454 706 1HG1 VAL 97 1HG1 VAL 97 -3.026 -10.487 -7.743 707 2HG1 VAL 97 2HG1 VAL 97 -4.486 -9.703 -7.147 708 3HG1 VAL 97 3HG1 VAL 97 -3.207 -10.154 -6.021 709 1HG2 VAL 97 1HG2 VAL 97 -1.016 -8.279 -8.441 710 2HG2 VAL 97 2HG2 VAL 97 -2.432 -7.473 -9.107 711 3HG2 VAL 97 3HG2 VAL 97 -2.318 -9.232 -9.147 712 H GLU 98 HN GLU 98 -4.390 -5.189 -8.361 713 HA GLU 98 HA GLU 98 -5.840 -6.669 -10.452 714 1HB GLU 98 HB2 GLU 98 -6.771 -4.077 -9.216 715 2HB GLU 98 HB1 GLU 98 -7.605 -5.007 -10.455 716 1HG GLU 98 HG2 GLU 98 -8.566 -6.322 -8.949 717 2HG GLU 98 HG1 GLU 98 -7.045 -6.595 -8.102 718 H GLU 99 HN GLU 99 -6.220 -5.294 -12.446 719 HA GLU 99 HA GLU 99 -3.745 -3.897 -13.078 720 1HB GLU 99 HB2 GLU 99 -4.525 -5.656 -14.590 721 2HB GLU 99 HB1 GLU 99 -5.991 -4.740 -14.897 722 1HG GLU 99 HG2 GLU 99 -3.952 -2.952 -15.443 723 2HG GLU 99 HG1 GLU 99 -3.361 -4.485 -16.074 724 H ARG 100 HN ARG 100 -3.915 -1.877 -12.206 725 HA ARG 100 HA ARG 100 -6.205 -0.188 -12.590 726 1HB ARG 100 HB2 ARG 100 -4.828 1.551 -11.594 727 2HB ARG 100 HB1 ARG 100 -4.692 0.064 -10.663 728 1HG ARG 100 HG2 ARG 100 -2.494 0.422 -10.787 729 2HG ARG 100 HG1 ARG 100 -2.634 -0.201 -12.424 730 1HD ARG 100 HD2 ARG 100 -2.918 2.069 -13.265 731 2HD ARG 100 HD1 ARG 100 -2.791 2.703 -11.626 732 HE ARG 100 HE ARG 100 -0.479 1.688 -11.656 733 1HH1 ARG 100 1HH1 ARG 100 -2.048 2.768 -14.591 734 2HH1 ARG 100 2HH1 ARG 100 -0.557 3.067 -15.415 735 1HH2 ARG 100 1HH2 ARG 100 1.469 2.087 -12.745 736 2HH2 ARG 100 2HH2 ARG 100 1.435 2.682 -14.372 737 H GLU 101 HN GLU 101 -5.695 2.097 -13.450 738 HA GLU 101 HA GLU 101 -3.896 2.322 -15.653 739 1HB GLU 101 HB2 GLU 101 -6.671 1.463 -16.156 740 2HB GLU 101 HB1 GLU 101 -6.127 2.816 -17.139 741 1HG GLU 101 HG2 GLU 101 -4.058 0.901 -17.153 742 2HG GLU 101 HG1 GLU 101 -5.569 0.040 -17.438 743 H LEU 102 HN LEU 102 -3.220 4.296 -15.053 744 HA LEU 102 HA LEU 102 -4.967 6.283 -14.001 745 1HB LEU 102 HB2 LEU 102 -2.140 6.571 -15.001 746 2HB LEU 102 HB1 LEU 102 -3.004 7.724 -14.000 747 HG LEU 102 HG LEU 102 -2.657 4.930 -13.017 748 1HD1 LEU 102 1HD1 LEU 102 -0.455 6.297 -13.849 749 2HD1 LEU 102 2HD1 LEU 102 -0.469 5.097 -12.555 750 3HD1 LEU 102 3HD1 LEU 102 -0.581 6.814 -12.167 751 1HD2 LEU 102 1HD2 LEU 102 -2.876 7.640 -11.728 752 2HD2 LEU 102 2HD2 LEU 102 -2.573 6.142 -10.846 753 3HD2 LEU 102 3HD2 LEU 102 -4.082 6.351 -11.737 754 HA PRO 103 HA PRO 103 -6.634 7.672 -17.938 755 1HB PRO 103 HB2 PRO 103 -7.025 10.134 -16.295 756 2HB PRO 103 HB1 PRO 103 -8.166 9.295 -17.353 757 1HG PRO 103 HG2 PRO 103 -8.335 9.046 -14.711 758 2HG PRO 103 HG1 PRO 103 -8.631 7.660 -15.776 759 1HD PRO 103 HD2 PRO 103 -6.268 8.271 -14.067 760 2HD PRO 103 HD1 PRO 103 -6.976 6.701 -14.503 761 H GLU 104 HN GLU 104 -4.925 7.967 -19.293 762 HA GLU 104 HA GLU 104 -2.998 10.077 -18.823 763 1HB GLU 104 HB2 GLU 104 -2.896 7.634 -20.112 764 2HB GLU 104 HB1 GLU 104 -2.910 8.783 -21.443 765 1HG GLU 104 HG2 GLU 104 -1.010 9.966 -20.354 766 2HG GLU 104 HG1 GLU 104 -0.948 8.662 -19.166 767 H LEU 105 HN LEU 105 -5.814 9.492 -20.792 768 HA LEU 105 HA LEU 105 -5.399 12.061 -22.162 769 1HB LEU 105 HB2 LEU 105 -6.128 9.565 -23.158 770 2HB LEU 105 HB1 LEU 105 -7.628 10.473 -23.132 771 HG LEU 105 HG LEU 105 -5.185 11.692 -24.358 772 1HD1 LEU 105 1HD1 LEU 105 -6.332 10.717 -26.536 773 2HD1 LEU 105 2HD1 LEU 105 -6.794 9.434 -25.417 774 3HD1 LEU 105 3HD1 LEU 105 -5.090 9.825 -25.656 775 1HD2 LEU 105 1HD2 LEU 105 -7.321 12.961 -23.930 776 2HD2 LEU 105 2HD2 LEU 105 -8.085 11.915 -25.126 777 3HD2 LEU 105 3HD2 LEU 105 -6.749 12.964 -25.599 778 H THR 106 HN THR 106 -6.472 13.726 -21.351 779 HA THR 106 HA THR 106 -8.609 13.394 -19.477 780 HB THR 106 HB THR 106 -8.005 16.026 -20.764 781 HG1 THR 106 HG1 THR 106 -6.114 16.211 -19.717 782 1HG2 THR 106 1HG2 THR 106 -7.893 16.323 -18.046 783 2HG2 THR 106 2HG2 THR 106 -9.138 15.093 -18.255 784 3HG2 THR 106 3HG2 THR 106 -9.294 16.651 -19.066 Start of MODEL 22 1 1H GLY 1 HT1 GLY 1 -11.658 11.119 3.563 2 2H GLY 1 HT2 GLY 1 -11.693 10.800 5.224 3 3H GLY 1 HT3 GLY 1 -10.953 12.209 4.649 4 1HA GLY 1 HA1 GLY 1 -13.085 12.763 5.581 5 2HA GLY 1 HA2 GLY 1 -13.085 13.031 3.846 6 H SER 2 HN SER 2 -13.430 10.501 2.860 7 HA SER 2 HA SER 2 -16.011 9.667 4.014 8 1HB SER 2 HB2 SER 2 -16.274 10.931 1.880 9 2HB SER 2 HB1 SER 2 -15.299 9.703 1.072 10 HG SER 2 HG SER 2 -17.844 9.631 1.325 11 H HIS 3 HN HIS 3 -16.656 7.428 3.146 12 HA HIS 3 HA HIS 3 -14.666 5.577 3.939 13 1HB HIS 3 HB2 HIS 3 -17.215 5.330 4.086 14 2HB HIS 3 HB1 HIS 3 -17.152 4.867 2.388 15 HD2 HIS 3 HD2 HIS 3 -17.627 2.187 2.586 16 HE1 HIS 3 HE1 HIS 3 -14.611 1.301 5.436 17 HE2 HIS 3 HE2 HIS 3 -16.318 0.347 3.848 18 H MET 4 HN MET 4 -16.130 6.282 0.772 19 HA MET 4 HA MET 4 -13.765 5.057 -0.486 20 1HB MET 4 HB2 MET 4 -15.239 4.418 -2.382 21 2HB MET 4 HB1 MET 4 -15.650 3.606 -0.877 22 1HG MET 4 HG2 MET 4 -17.729 4.321 -1.050 23 2HG MET 4 HG1 MET 4 -17.165 5.990 -0.996 24 1HE MET 4 HE1 MET 4 -19.330 6.831 -2.769 25 2HE MET 4 HE2 MET 4 -18.336 7.345 -4.133 26 3HE MET 4 HE3 MET 4 -17.736 7.531 -2.485 27 H GLN 5 HN GLN 5 -12.897 7.252 -0.379 28 HA GLN 5 HA GLN 5 -14.143 9.330 -1.916 29 1HB GLN 5 HB2 GLN 5 -11.977 9.112 -0.057 30 2HB GLN 5 HB1 GLN 5 -11.397 9.916 -1.509 31 1HG GLN 5 HG2 GLN 5 -13.942 10.992 -0.783 32 2HG GLN 5 HG1 GLN 5 -12.869 11.014 0.616 33 1HE2 GLN 5 1HE2 GLN 5 -13.891 13.254 -0.880 34 2HE2 GLN 5 2HE2 GLN 5 -12.522 14.102 -1.504 35 H ALA 6 HN ALA 6 -11.115 7.485 -2.307 36 HA ALA 6 HA ALA 6 -10.826 8.361 -5.038 37 1HB ALA 6 HB1 ALA 6 -8.736 8.081 -4.201 38 2HB ALA 6 HB2 ALA 6 -8.964 6.451 -4.834 39 3HB ALA 6 HB3 ALA 6 -9.223 6.776 -3.119 40 H THR 7 HN THR 7 -10.780 6.952 -6.884 41 HA THR 7 HA THR 7 -12.237 4.424 -6.538 42 HB THR 7 HB THR 7 -12.735 6.234 -8.889 43 HG1 THR 7 HG1 THR 7 -14.039 7.415 -7.753 44 1HG2 THR 7 1HG2 THR 7 -13.535 3.999 -9.197 45 2HG2 THR 7 2HG2 THR 7 -14.913 5.065 -8.922 46 3HG2 THR 7 3HG2 THR 7 -14.333 4.021 -7.625 47 H TRP 8 HN TRP 8 -11.912 2.886 -8.287 48 HA TRP 8 HA TRP 8 -9.509 3.374 -9.908 49 1HB TRP 8 HB2 TRP 8 -10.086 1.005 -8.134 50 2HB TRP 8 HB1 TRP 8 -8.894 0.959 -9.430 51 HD1 TRP 8 HD1 TRP 8 -9.564 3.414 -6.477 52 HE1 TRP 8 HE1 TRP 8 -7.302 3.939 -5.381 53 HE3 TRP 8 HE3 TRP 8 -6.547 0.578 -9.463 54 HZ2 TRP 8 HZ2 TRP 8 -4.578 3.241 -5.738 55 HZ3 TRP 8 HZ3 TRP 8 -4.138 0.567 -9.022 56 HH2 TRP 8 HH2 TRP 8 -3.158 1.856 -7.208 57 H LYS 9 HN LYS 9 -9.250 1.341 -11.413 58 HA LYS 9 HA LYS 9 -11.853 0.454 -12.432 59 1HB LYS 9 HB2 LYS 9 -9.773 1.357 -14.388 60 2HB LYS 9 HB1 LYS 9 -11.507 1.183 -14.614 61 1HG LYS 9 HG2 LYS 9 -11.943 3.181 -13.393 62 2HG LYS 9 HG1 LYS 9 -10.259 3.296 -12.879 63 1HD LYS 9 HD2 LYS 9 -9.572 4.138 -14.865 64 2HD LYS 9 HD1 LYS 9 -10.718 3.171 -15.791 65 1HE LYS 9 HE2 LYS 9 -12.350 4.888 -14.402 66 2HE LYS 9 HE1 LYS 9 -10.951 5.895 -14.773 67 1HZ LYS 9 HZ1 LYS 9 -11.280 4.832 -17.129 68 2HZ LYS 9 HZ2 LYS 9 -12.178 6.184 -16.652 69 3HZ LYS 9 HZ3 LYS 9 -12.874 4.643 -16.591 70 H GLU 10 HN GLU 10 -9.113 -0.518 -11.185 71 HA GLU 10 HA GLU 10 -7.902 -2.219 -12.996 72 1HB GLU 10 HB2 GLU 10 -7.247 -3.532 -10.893 73 2HB GLU 10 HB1 GLU 10 -6.702 -1.877 -11.042 74 1HG GLU 10 HG2 GLU 10 -7.538 -2.533 -8.782 75 2HG GLU 10 HG1 GLU 10 -8.289 -1.100 -9.480 76 H LYS 11 HN LYS 11 -8.038 -4.412 -13.420 77 HA LYS 11 HA LYS 11 -10.664 -5.452 -13.627 78 1HB LYS 11 HB2 LYS 11 -7.985 -6.811 -14.002 79 2HB LYS 11 HB1 LYS 11 -9.530 -7.487 -14.491 80 1HG LYS 11 HG2 LYS 11 -9.849 -5.572 -16.014 81 2HG LYS 11 HG1 LYS 11 -8.241 -4.995 -15.576 82 1HD LYS 11 HD2 LYS 11 -7.474 -7.374 -16.277 83 2HD LYS 11 HD1 LYS 11 -9.021 -7.437 -17.123 84 1HE LYS 11 HE2 LYS 11 -6.927 -5.297 -17.491 85 2HE LYS 11 HE1 LYS 11 -7.163 -6.676 -18.564 86 1HZ LYS 11 HZ1 LYS 11 -8.943 -4.364 -18.118 87 2HZ LYS 11 HZ2 LYS 11 -9.544 -5.810 -18.756 88 3HZ LYS 11 HZ3 LYS 11 -8.331 -4.966 -19.578 89 H ASP 12 HN ASP 12 -10.110 -8.242 -12.991 90 HA ASP 12 HA ASP 12 -9.908 -8.128 -10.067 91 1HB ASP 12 HB2 ASP 12 -12.108 -9.267 -11.743 92 2HB ASP 12 HB1 ASP 12 -11.720 -10.038 -10.207 93 H GLY 13 HN GLY 13 -8.167 -9.048 -12.405 94 1HA GLY 13 HA2 GLY 13 -7.861 -11.871 -11.640 95 2HA GLY 13 HA1 GLY 13 -7.249 -11.147 -13.117 96 H ALA 14 HN ALA 14 -5.219 -12.135 -12.599 97 HA ALA 14 HA ALA 14 -3.779 -11.481 -10.237 98 1HB ALA 14 HB1 ALA 14 -2.673 -12.490 -12.848 99 2HB ALA 14 HB2 ALA 14 -3.398 -13.510 -11.605 100 3HB ALA 14 HB3 ALA 14 -1.924 -12.607 -11.257 101 H VAL 15 HN VAL 15 -1.277 -10.792 -10.984 102 HA VAL 15 HA VAL 15 -1.467 -7.958 -11.354 103 HB VAL 15 HB VAL 15 0.322 -8.908 -9.984 104 1HG1 VAL 15 1HG1 VAL 15 1.226 -10.811 -10.744 105 2HG1 VAL 15 2HG1 VAL 15 2.293 -9.749 -11.664 106 3HG1 VAL 15 3HG1 VAL 15 0.854 -10.427 -12.425 107 1HG2 VAL 15 1HG2 VAL 15 1.909 -7.705 -12.146 108 2HG2 VAL 15 2HG2 VAL 15 1.732 -7.224 -10.461 109 3HG2 VAL 15 3HG2 VAL 15 0.499 -6.777 -11.635 110 H GLU 16 HN GLU 16 -0.626 -6.714 -13.120 111 HA GLU 16 HA GLU 16 -0.058 -8.189 -15.562 112 1HB GLU 16 HB2 GLU 16 -2.321 -6.302 -15.144 113 2HB GLU 16 HB1 GLU 16 -1.457 -6.205 -16.672 114 1HG GLU 16 HG2 GLU 16 -1.830 -8.698 -16.875 115 2HG GLU 16 HG1 GLU 16 -2.954 -8.539 -15.528 116 H ALA 17 HN ALA 17 0.873 -6.784 -17.218 117 HA ALA 17 HA ALA 17 3.216 -5.772 -16.884 118 1HB ALA 17 HB1 ALA 17 1.147 -5.032 -18.709 119 2HB ALA 17 HB2 ALA 17 2.893 -5.065 -18.956 120 3HB ALA 17 HB3 ALA 17 2.120 -3.614 -18.320 121 H GLU 18 HN GLU 18 0.780 -3.146 -16.681 122 HA GLU 18 HA GLU 18 2.405 -2.013 -14.492 123 1HB GLU 18 HB2 GLU 18 0.716 -0.454 -16.441 124 2HB GLU 18 HB1 GLU 18 1.870 0.187 -15.280 125 1HG GLU 18 HG2 GLU 18 3.532 -1.362 -16.637 126 2HG GLU 18 HG1 GLU 18 2.332 -1.107 -17.904 127 H ASP 19 HN ASP 19 0.942 -3.385 -13.120 128 HA ASP 19 HA ASP 19 -1.737 -2.256 -12.735 129 1HB ASP 19 HB2 ASP 19 -0.382 -4.751 -11.723 130 2HB ASP 19 HB1 ASP 19 -1.990 -4.255 -11.221 131 H ARG 20 HN ARG 20 -2.257 -2.821 -10.146 132 HA ARG 20 HA ARG 20 -0.255 -1.638 -8.407 133 1HB ARG 20 HB2 ARG 20 -2.848 -0.336 -9.111 134 2HB ARG 20 HB1 ARG 20 -2.252 -0.177 -7.467 135 1HG ARG 20 HG2 ARG 20 -0.255 0.438 -9.508 136 2HG ARG 20 HG1 ARG 20 -1.672 1.481 -9.547 137 1HD ARG 20 HD2 ARG 20 -1.294 1.650 -6.981 138 2HD ARG 20 HD1 ARG 20 0.338 1.117 -7.373 139 HE ARG 20 HE ARG 20 0.478 3.079 -8.865 140 1HH1 ARG 20 1HH1 ARG 20 -1.896 3.142 -6.291 141 2HH1 ARG 20 2HH1 ARG 20 -1.974 4.869 -6.255 142 1HH2 ARG 20 1HH2 ARG 20 0.357 5.335 -8.807 143 2HH2 ARG 20 2HH2 ARG 20 -0.704 6.112 -7.679 144 H VAL 21 HN VAL 21 -0.168 -3.178 -6.839 145 HA VAL 21 HA VAL 21 -2.575 -4.662 -6.112 146 HB VAL 21 HB VAL 21 -1.054 -6.133 -4.876 147 1HG1 VAL 21 1HG1 VAL 21 0.113 -7.100 -6.753 148 2HG1 VAL 21 2HG1 VAL 21 0.021 -5.576 -7.638 149 3HG1 VAL 21 3HG1 VAL 21 -1.450 -6.487 -7.303 150 1HG2 VAL 21 1HG2 VAL 21 0.776 -3.894 -5.257 151 2HG2 VAL 21 2HG2 VAL 21 1.490 -5.458 -5.654 152 3HG2 VAL 21 3HG2 VAL 21 0.795 -5.184 -4.057 153 H THR 22 HN THR 22 -2.880 -5.166 -3.741 154 HA THR 22 HA THR 22 -2.336 -2.762 -2.115 155 HB THR 22 HB THR 22 -4.644 -4.719 -1.953 156 HG1 THR 22 HG1 THR 22 -5.829 -3.136 -2.780 157 1HG2 THR 22 1HG2 THR 22 -3.573 -2.952 0.061 158 2HG2 THR 22 2HG2 THR 22 -4.861 -4.154 0.175 159 3HG2 THR 22 3HG2 THR 22 -5.230 -2.519 -0.372 160 H ILE 23 HN ILE 23 -0.737 -3.170 -0.692 161 HA ILE 23 HA ILE 23 -0.704 -5.835 0.565 162 HB ILE 23 HB ILE 23 1.758 -5.741 0.574 163 1HG1 ILE 23 2HG1 ILE 23 2.095 -3.853 -1.567 164 2HG1 ILE 23 1HG1 ILE 23 1.377 -3.074 -0.159 165 1HG2 ILE 23 1HG2 ILE 23 1.361 -5.525 -2.276 166 2HG2 ILE 23 2HG2 ILE 23 0.064 -6.432 -1.502 167 3HG2 ILE 23 3HG2 ILE 23 1.743 -6.941 -1.298 168 1HD1 ILE 23 1HD1 ILE 23 3.588 -2.842 0.325 169 2HD1 ILE 23 2HD1 ILE 23 4.040 -4.341 -0.472 170 3HD1 ILE 23 3HD1 ILE 23 3.265 -4.379 1.110 171 H ASP 24 HN ASP 24 0.054 -6.009 2.643 172 HA ASP 24 HA ASP 24 0.413 -3.497 4.164 173 1HB ASP 24 HB2 ASP 24 -0.526 -4.662 6.116 174 2HB ASP 24 HB1 ASP 24 -1.683 -4.672 4.794 175 H PHE 25 HN PHE 25 2.387 -3.371 5.255 176 HA PHE 25 HA PHE 25 3.822 -5.874 5.748 177 1HB PHE 25 HB2 PHE 25 5.834 -5.144 4.655 178 2HB PHE 25 HB1 PHE 25 4.497 -5.052 3.512 179 HD1 PHE 25 HD1 PHE 25 4.158 -3.113 2.301 180 HD2 PHE 25 HD2 PHE 25 6.456 -2.946 5.880 181 HE1 PHE 25 HE1 PHE 25 4.681 -0.757 1.862 182 HE2 PHE 25 HE2 PHE 25 6.985 -0.576 5.426 183 HZ PHE 25 HZ PHE 25 6.090 0.510 3.404 184 H THR 26 HN THR 26 5.853 -5.569 6.972 185 HA THR 26 HA THR 26 5.991 -3.154 8.600 186 HB THR 26 HB THR 26 5.570 -5.902 9.783 187 HG1 THR 26 HG1 THR 26 3.583 -5.240 9.552 188 1HG2 THR 26 1HG2 THR 26 6.562 -5.204 11.628 189 2HG2 THR 26 2HG2 THR 26 5.344 -3.936 11.763 190 3HG2 THR 26 3HG2 THR 26 6.858 -3.617 10.918 191 H GLY 27 HN GLY 27 8.061 -2.551 8.515 192 1HA GLY 27 HA2 GLY 27 10.158 -4.383 9.250 193 2HA GLY 27 HA1 GLY 27 10.194 -3.948 7.553 194 H SER 28 HN SER 28 12.343 -3.399 9.040 195 HA SER 28 HA SER 28 12.202 -0.506 9.630 196 1HB SER 28 HB2 SER 28 14.600 -2.081 10.429 197 2HB SER 28 HB1 SER 28 13.764 -0.794 11.284 198 HG SER 28 HG SER 28 13.056 -3.521 11.106 199 H VAL 29 HN VAL 29 14.415 0.552 9.325 200 HA VAL 29 HA VAL 29 15.383 -0.102 6.648 201 HB VAL 29 HB VAL 29 14.455 2.047 6.555 202 1HG1 VAL 29 1HG1 VAL 29 14.177 3.380 8.284 203 2HG1 VAL 29 2HG1 VAL 29 15.919 3.562 8.489 204 3HG1 VAL 29 3HG1 VAL 29 15.070 2.234 9.278 205 1HG2 VAL 29 1HG2 VAL 29 16.206 2.565 5.300 206 2HG2 VAL 29 2HG2 VAL 29 17.346 1.821 6.417 207 3HG2 VAL 29 3HG2 VAL 29 16.799 3.475 6.690 208 H ASP 30 HN ASP 30 16.988 1.854 9.159 209 HA ASP 30 HA ASP 30 19.358 0.202 8.763 210 1HB ASP 30 HB2 ASP 30 20.491 2.025 10.099 211 2HB ASP 30 HB1 ASP 30 19.821 2.535 8.553 212 H GLY 31 HN GLY 31 17.229 -0.983 10.190 213 1HA GLY 31 HA2 GLY 31 17.411 -2.480 12.022 214 2HA GLY 31 HA1 GLY 31 18.568 -1.386 12.767 215 H GLU 32 HN GLU 32 16.297 0.651 11.738 216 HA GLU 32 HA GLU 32 14.486 0.265 14.010 217 1HB GLU 32 HB2 GLU 32 15.740 2.919 13.288 218 2HB GLU 32 HB1 GLU 32 14.635 2.607 14.620 219 1HG GLU 32 HG2 GLU 32 16.237 1.621 15.906 220 2HG GLU 32 HG1 GLU 32 17.167 1.061 14.517 221 H GLU 33 HN GLU 33 12.541 0.034 13.120 222 HA GLU 33 HA GLU 33 11.795 0.747 10.554 223 1HB GLU 33 HB2 GLU 33 9.436 0.475 11.417 224 2HB GLU 33 HB1 GLU 33 10.503 -0.896 11.687 225 1HG GLU 33 HG2 GLU 33 10.864 0.533 13.972 226 2HG GLU 33 HG1 GLU 33 9.173 0.865 13.605 227 H PHE 34 HN PHE 34 11.562 2.664 9.678 228 HA PHE 34 HA PHE 34 11.316 5.020 11.272 229 1HB PHE 34 HB2 PHE 34 11.752 6.199 9.242 230 2HB PHE 34 HB1 PHE 34 12.825 4.812 9.309 231 HD1 PHE 34 HD1 PHE 34 11.154 6.712 7.105 232 HD2 PHE 34 HD2 PHE 34 11.416 2.606 8.200 233 HE1 PHE 34 HE1 PHE 34 10.424 6.060 4.844 234 HE2 PHE 34 HE2 PHE 34 10.681 1.954 5.951 235 HZ PHE 34 HZ PHE 34 10.187 3.680 4.268 236 H GLU 35 HN GLU 35 9.868 6.189 8.822 237 HA GLU 35 HA GLU 35 7.305 6.345 10.050 238 1HB GLU 35 HB2 GLU 35 8.188 7.277 7.312 239 2HB GLU 35 HB1 GLU 35 6.698 7.737 8.121 240 1HG GLU 35 HG2 GLU 35 8.903 8.303 9.839 241 2HG GLU 35 HG1 GLU 35 9.215 8.987 8.244 242 H GLY 36 HN GLY 36 8.363 5.136 6.869 243 1HA GLY 36 HA2 GLY 36 5.857 3.713 6.528 244 2HA GLY 36 HA1 GLY 36 7.161 3.823 5.360 245 H GLY 37 HN GLY 37 7.936 2.862 8.612 246 1HA GLY 37 HA2 GLY 37 9.144 0.475 7.817 247 2HA GLY 37 HA1 GLY 37 8.623 0.836 9.460 248 H LYS 38 HN LYS 38 5.931 0.991 9.277 249 HA LYS 38 HA LYS 38 5.152 -1.624 8.187 250 1HB LYS 38 HB2 LYS 38 3.583 -1.827 10.097 251 2HB LYS 38 HB1 LYS 38 5.271 -1.793 10.591 252 1HG LYS 38 HG2 LYS 38 5.094 0.445 11.354 253 2HG LYS 38 HG1 LYS 38 3.504 0.637 10.615 254 1HD LYS 38 HD2 LYS 38 3.473 -1.614 12.391 255 2HD LYS 38 HD1 LYS 38 4.104 -0.200 13.236 256 1HE LYS 38 HE2 LYS 38 2.019 0.914 11.956 257 2HE LYS 38 HE1 LYS 38 1.406 -0.725 12.161 258 1HZ LYS 38 HZ1 LYS 38 1.527 1.326 14.058 259 2HZ LYS 38 HZ2 LYS 38 2.563 0.094 14.577 260 3HZ LYS 38 HZ3 LYS 38 0.937 -0.247 14.256 261 H ALA 39 HN ALA 39 3.438 -1.694 6.922 262 HA ALA 39 HA ALA 39 1.562 0.569 6.879 263 1HB ALA 39 HB1 ALA 39 3.361 -0.299 4.752 264 2HB ALA 39 HB2 ALA 39 2.440 1.197 4.915 265 3HB ALA 39 HB3 ALA 39 1.672 -0.242 4.244 266 H SER 40 HN SER 40 -0.539 0.021 5.963 267 HA SER 40 HA SER 40 -1.114 -2.854 6.219 268 1HB SER 40 HB2 SER 40 -2.105 -1.072 7.878 269 2HB SER 40 HB1 SER 40 -3.245 -0.781 6.562 270 HG SER 40 HG SER 40 -3.262 -2.746 8.350 271 H ASP 41 HN ASP 41 -2.462 0.059 4.631 272 HA ASP 41 HA ASP 41 -3.293 -1.615 2.401 273 1HB ASP 41 HB2 ASP 41 -4.236 1.089 3.370 274 2HB ASP 41 HB1 ASP 41 -4.655 0.449 1.783 275 H PHE 42 HN PHE 42 -0.920 -1.588 1.884 276 HA PHE 42 HA PHE 42 -0.003 0.979 0.837 277 1HB PHE 42 HB2 PHE 42 1.537 -0.503 2.205 278 2HB PHE 42 HB1 PHE 42 1.546 -1.615 0.844 279 HD1 PHE 42 HD1 PHE 42 3.716 -1.509 -0.019 280 HD2 PHE 42 HD2 PHE 42 1.630 2.097 0.872 281 HE1 PHE 42 HE1 PHE 42 5.514 -0.205 -1.076 282 HE2 PHE 42 HE2 PHE 42 3.429 3.402 -0.177 283 HZ PHE 42 HZ PHE 42 5.375 2.252 -1.154 284 H VAL 43 HN VAL 43 -0.903 1.421 -1.074 285 HA VAL 43 HA VAL 43 -1.482 -0.640 -2.974 286 HB VAL 43 HB VAL 43 -2.944 1.305 -2.669 287 1HG1 VAL 43 1HG1 VAL 43 -1.863 3.361 -4.101 288 2HG1 VAL 43 2HG1 VAL 43 -0.479 2.776 -3.181 289 3HG1 VAL 43 3HG1 VAL 43 -1.944 3.269 -2.344 290 1HG2 VAL 43 1HG2 VAL 43 -2.863 1.972 -5.235 291 2HG2 VAL 43 2HG2 VAL 43 -3.405 0.384 -4.699 292 3HG2 VAL 43 3HG2 VAL 43 -1.759 0.597 -5.295 293 H LEU 44 HN LEU 44 0.338 -1.555 -3.754 294 HA LEU 44 HA LEU 44 2.540 0.111 -4.643 295 1HB LEU 44 HB2 LEU 44 2.372 -2.438 -3.587 296 2HB LEU 44 HB1 LEU 44 2.697 -2.731 -5.285 297 HG LEU 44 HG LEU 44 4.399 -1.242 -3.301 298 1HD1 LEU 44 1HD1 LEU 44 5.832 -3.047 -4.905 299 2HD1 LEU 44 2HD1 LEU 44 4.365 -3.871 -4.399 300 3HD1 LEU 44 3HD1 LEU 44 5.442 -3.185 -3.194 301 1HD2 LEU 44 1HD2 LEU 44 5.930 -0.915 -5.319 302 2HD2 LEU 44 2HD2 LEU 44 4.545 0.165 -5.168 303 3HD2 LEU 44 3HD2 LEU 44 4.490 -1.184 -6.301 304 H ALA 45 HN ALA 45 3.136 0.439 -6.711 305 HA ALA 45 HA ALA 45 1.182 -0.322 -8.759 306 1HB ALA 45 HB1 ALA 45 3.349 1.663 -9.239 307 2HB ALA 45 HB2 ALA 45 1.978 2.113 -8.228 308 3HB ALA 45 HB3 ALA 45 1.714 1.604 -9.898 309 H MET 46 HN MET 46 1.776 -2.243 -9.661 310 HA MET 46 HA MET 46 4.469 -3.091 -9.914 311 1HB MET 46 HB2 MET 46 1.846 -4.173 -10.446 312 2HB MET 46 HB1 MET 46 2.948 -4.548 -11.766 313 1HG MET 46 HG2 MET 46 4.044 -4.961 -9.077 314 2HG MET 46 HG1 MET 46 2.696 -6.008 -9.504 315 1HE MET 46 HE1 MET 46 6.182 -4.878 -9.979 316 2HE MET 46 HE2 MET 46 5.976 -4.692 -11.721 317 3HE MET 46 HE3 MET 46 6.944 -6.023 -11.086 318 H GLY 47 HN GLY 47 5.364 -1.218 -10.919 319 1HA GLY 47 HA2 GLY 47 6.580 -0.810 -12.962 320 2HA GLY 47 HA1 GLY 47 5.179 -1.379 -13.856 321 H GLN 48 HN GLN 48 6.194 1.224 -11.653 322 HA GLN 48 HA GLN 48 4.567 3.079 -13.264 323 1HB GLN 48 HB2 GLN 48 4.472 2.550 -10.397 324 2HB GLN 48 HB1 GLN 48 4.732 4.250 -10.755 325 1HG GLN 48 HG2 GLN 48 2.508 2.610 -11.940 326 2HG GLN 48 HG1 GLN 48 2.347 3.593 -10.486 327 1HE2 GLN 48 1HE2 GLN 48 3.610 5.862 -11.041 328 2HE2 GLN 48 2HE2 GLN 48 2.904 6.662 -12.399 329 H GLY 49 HN GLY 49 6.933 3.311 -10.610 330 1HA GLY 49 HA2 GLY 49 8.341 5.384 -12.141 331 2HA GLY 49 HA1 GLY 49 8.502 5.096 -10.413 332 H ARG 50 HN ARG 50 9.140 2.569 -10.113 333 HA ARG 50 HA ARG 50 10.871 1.363 -11.931 334 1HB ARG 50 HB2 ARG 50 13.066 1.910 -11.070 335 2HB ARG 50 HB1 ARG 50 12.258 3.380 -11.589 336 1HG ARG 50 HG2 ARG 50 12.575 4.280 -9.596 337 2HG ARG 50 HG1 ARG 50 11.670 2.970 -8.838 338 1HD ARG 50 HD2 ARG 50 14.077 3.358 -8.059 339 2HD ARG 50 HD1 ARG 50 13.594 1.709 -8.444 340 HE ARG 50 HE ARG 50 15.015 3.366 -10.417 341 1HH1 ARG 50 1HH1 ARG 50 14.845 0.486 -8.441 342 2HH1 ARG 50 2HH1 ARG 50 16.152 -0.297 -9.259 343 1HH2 ARG 50 1HH2 ARG 50 16.735 2.330 -11.484 344 2HH2 ARG 50 2HH2 ARG 50 17.224 0.745 -10.983 345 H MET 51 HN MET 51 9.306 -0.112 -10.802 346 HA MET 51 HA MET 51 9.382 -0.861 -8.169 347 1HB MET 51 HB2 MET 51 8.034 -1.781 -10.258 348 2HB MET 51 HB1 MET 51 9.266 -3.036 -10.205 349 1HG MET 51 HG2 MET 51 7.827 -4.035 -8.811 350 2HG MET 51 HG1 MET 51 8.545 -2.962 -7.612 351 1HE MET 51 HE1 MET 51 7.284 -0.554 -6.848 352 2HE MET 51 HE2 MET 51 5.940 0.047 -7.817 353 3HE MET 51 HE3 MET 51 7.517 -0.214 -8.561 354 H ILE 52 HN ILE 52 11.102 -1.256 -6.955 355 HA ILE 52 HA ILE 52 13.584 -2.178 -7.982 356 HB ILE 52 HB ILE 52 13.964 -2.656 -5.396 357 1HG1 ILE 52 2HG1 ILE 52 11.759 -0.588 -5.330 358 2HG1 ILE 52 1HG1 ILE 52 11.536 -2.272 -4.868 359 1HG2 ILE 52 1HG2 ILE 52 14.715 -0.346 -5.159 360 2HG2 ILE 52 2HG2 ILE 52 13.779 0.108 -6.582 361 3HG2 ILE 52 3HG2 ILE 52 15.141 -1.002 -6.740 362 1HD1 ILE 52 1HD1 ILE 52 13.410 -0.312 -3.563 363 2HD1 ILE 52 2HD1 ILE 52 13.184 -1.998 -3.093 364 3HD1 ILE 52 3HD1 ILE 52 11.855 -0.851 -2.928 365 HA PRO 53 HA PRO 53 13.356 -6.564 -8.037 366 1HB PRO 53 HB2 PRO 53 15.513 -7.214 -6.377 367 2HB PRO 53 HB1 PRO 53 15.593 -6.932 -8.118 368 1HG PRO 53 HG2 PRO 53 16.209 -5.078 -5.864 369 2HG PRO 53 HG1 PRO 53 17.008 -5.241 -7.438 370 1HD PRO 53 HD2 PRO 53 15.341 -3.211 -6.934 371 2HD PRO 53 HD1 PRO 53 15.378 -3.993 -8.532 372 H GLY 54 HN GLY 54 13.419 -4.856 -5.020 373 1HA GLY 54 HA2 GLY 54 12.858 -7.062 -3.314 374 2HA GLY 54 HA1 GLY 54 12.674 -5.364 -2.919 375 H PHE 55 HN PHE 55 10.723 -4.366 -4.311 376 HA PHE 55 HA PHE 55 8.426 -5.639 -3.286 377 1HB PHE 55 HB2 PHE 55 8.864 -3.268 -5.089 378 2HB PHE 55 HB1 PHE 55 7.250 -3.857 -4.749 379 HD1 PHE 55 HD1 PHE 55 6.826 -4.198 -2.074 380 HD2 PHE 55 HD2 PHE 55 9.609 -1.508 -3.852 381 HE1 PHE 55 HE1 PHE 55 6.773 -2.825 -0.055 382 HE2 PHE 55 HE2 PHE 55 9.551 -0.119 -1.824 383 HZ PHE 55 HZ PHE 55 8.130 -0.775 0.074 384 H GLU 56 HN GLU 56 9.629 -5.170 -6.604 385 HA GLU 56 HA GLU 56 7.561 -6.373 -7.979 386 1HB GLU 56 HB2 GLU 56 9.029 -6.609 -9.817 387 2HB GLU 56 HB1 GLU 56 9.572 -5.181 -8.948 388 1HG GLU 56 HG2 GLU 56 11.444 -6.308 -8.068 389 2HG GLU 56 HG1 GLU 56 10.820 -7.883 -8.550 390 H ASP 57 HN ASP 57 9.858 -7.839 -5.884 391 HA ASP 57 HA ASP 57 9.605 -10.492 -6.966 392 1HB ASP 57 HB2 ASP 57 11.257 -9.182 -5.022 393 2HB ASP 57 HB1 ASP 57 10.530 -10.605 -4.284 394 H GLY 58 HN GLY 58 8.974 -9.523 -3.598 395 1HA GLY 58 HA2 GLY 58 7.109 -11.571 -3.151 396 2HA GLY 58 HA1 GLY 58 7.314 -10.144 -2.147 397 H ILE 59 HN ILE 59 6.550 -8.106 -3.618 398 HA ILE 59 HA ILE 59 3.717 -8.476 -3.877 399 HB ILE 59 HB ILE 59 5.314 -5.952 -4.376 400 1HG1 ILE 59 2HG1 ILE 59 4.694 -5.573 -1.872 401 2HG1 ILE 59 1HG1 ILE 59 4.609 -7.318 -1.793 402 1HG2 ILE 59 1HG2 ILE 59 2.483 -6.666 -4.044 403 2HG2 ILE 59 2HG2 ILE 59 3.217 -5.267 -4.826 404 3HG2 ILE 59 3HG2 ILE 59 3.001 -5.286 -3.077 405 1HD1 ILE 59 1HD1 ILE 59 6.823 -7.499 -1.743 406 2HD1 ILE 59 2HD1 ILE 59 6.843 -5.770 -1.425 407 3HD1 ILE 59 3HD1 ILE 59 7.022 -6.362 -3.068 408 H LYS 60 HN LYS 60 5.120 -9.849 -5.673 409 HA LYS 60 HA LYS 60 5.455 -8.774 -8.259 410 1HB LYS 60 HB2 LYS 60 4.941 -11.454 -7.157 411 2HB LYS 60 HB1 LYS 60 4.265 -11.225 -8.765 412 1HG LYS 60 HG2 LYS 60 6.475 -10.538 -9.580 413 2HG LYS 60 HG1 LYS 60 7.138 -10.824 -7.971 414 1HD LYS 60 HD2 LYS 60 7.376 -12.988 -8.403 415 2HD LYS 60 HD1 LYS 60 5.669 -13.129 -8.823 416 1HE LYS 60 HE2 LYS 60 6.059 -12.848 -11.068 417 2HE LYS 60 HE1 LYS 60 7.535 -11.920 -10.803 418 1HZ LYS 60 HZ1 LYS 60 8.378 -14.181 -9.861 419 2HZ LYS 60 HZ2 LYS 60 8.377 -13.901 -11.529 420 3HZ LYS 60 HZ3 LYS 60 7.150 -14.828 -10.826 421 H GLY 61 HN GLY 61 2.679 -10.255 -6.740 422 1HA GLY 61 HA2 GLY 61 0.493 -9.135 -6.701 423 2HA GLY 61 HA1 GLY 61 0.838 -8.600 -8.342 424 H HIS 62 HN HIS 62 1.330 -11.689 -6.764 425 HA HIS 62 HA HIS 62 -0.477 -12.924 -8.752 426 1HB HIS 62 HB2 HIS 62 1.011 -14.857 -8.862 427 2HB HIS 62 HB1 HIS 62 1.847 -13.381 -9.327 428 HD2 HIS 62 HD2 HIS 62 2.296 -12.797 -5.858 429 HE1 HIS 62 HE1 HIS 62 5.047 -15.951 -6.530 430 HE2 HIS 62 HE2 HIS 62 4.408 -14.031 -5.032 431 H LYS 63 HN LYS 63 0.363 -12.724 -5.414 432 HA LYS 63 HA LYS 63 -1.473 -14.963 -4.863 433 1HB LYS 63 HB2 LYS 63 0.835 -13.972 -3.187 434 2HB LYS 63 HB1 LYS 63 -0.294 -15.231 -2.705 435 1HG LYS 63 HG2 LYS 63 1.421 -15.415 -5.165 436 2HG LYS 63 HG1 LYS 63 1.912 -16.025 -3.583 437 1HD LYS 63 HD2 LYS 63 -0.565 -17.119 -3.829 438 2HD LYS 63 HD1 LYS 63 -0.023 -17.108 -5.509 439 1HE LYS 63 HE2 LYS 63 2.076 -18.008 -3.738 440 2HE LYS 63 HE1 LYS 63 0.617 -18.976 -3.538 441 1HZ LYS 63 HZ1 LYS 63 1.056 -18.584 -6.280 442 2HZ LYS 63 HZ2 LYS 63 1.100 -20.031 -5.407 443 3HZ LYS 63 HZ3 LYS 63 2.507 -19.112 -5.587 444 H ALA 64 HN ALA 64 -3.293 -13.571 -4.913 445 HA ALA 64 HA ALA 64 -3.588 -11.237 -3.392 446 1HB ALA 64 HB1 ALA 64 -5.992 -12.897 -3.762 447 2HB ALA 64 HB2 ALA 64 -5.106 -12.492 -5.232 448 3HB ALA 64 HB3 ALA 64 -5.703 -11.209 -4.180 449 H GLY 65 HN GLY 65 -2.993 -11.335 -1.267 450 1HA GLY 65 HA2 GLY 65 -3.804 -11.580 0.964 451 2HA GLY 65 HA1 GLY 65 -4.661 -13.029 0.461 452 H GLU 66 HN GLU 66 -1.297 -12.283 -0.242 453 HA GLU 66 HA GLU 66 -0.506 -14.739 1.142 454 1HB GLU 66 HB2 GLU 66 0.100 -14.116 -1.297 455 2HB GLU 66 HB1 GLU 66 1.293 -13.056 -0.569 456 1HG GLU 66 HG2 GLU 66 2.217 -15.234 -1.230 457 2HG GLU 66 HG1 GLU 66 2.377 -14.915 0.495 458 H GLU 67 HN GLU 67 1.613 -14.723 2.259 459 HA GLU 67 HA GLU 67 2.223 -12.160 3.566 460 1HB GLU 67 HB2 GLU 67 2.524 -13.341 5.708 461 2HB GLU 67 HB1 GLU 67 0.871 -13.467 5.127 462 1HG GLU 67 HG2 GLU 67 1.013 -15.653 5.414 463 2HG GLU 67 HG1 GLU 67 2.170 -15.698 4.085 464 H PHE 68 HN PHE 68 4.189 -11.713 2.736 465 HA PHE 68 HA PHE 68 6.287 -13.762 3.023 466 1HB PHE 68 HB2 PHE 68 7.174 -13.020 0.782 467 2HB PHE 68 HB1 PHE 68 5.651 -13.909 0.720 468 HD1 PHE 68 HD1 PHE 68 3.669 -12.902 -0.057 469 HD2 PHE 68 HD2 PHE 68 7.177 -10.575 0.524 470 HE1 PHE 68 HE1 PHE 68 2.603 -11.021 -1.220 471 HE2 PHE 68 HE2 PHE 68 6.119 -8.681 -0.648 472 HZ PHE 68 HZ PHE 68 3.825 -8.911 -1.527 473 H THR 69 HN THR 69 8.502 -12.797 2.713 474 HA THR 69 HA THR 69 8.582 -10.001 3.610 475 HB THR 69 HB THR 69 10.344 -12.240 4.623 476 HG1 THR 69 HG1 THR 69 8.869 -12.517 6.061 477 1HG2 THR 69 1HG2 THR 69 11.500 -10.778 5.906 478 2HG2 THR 69 2HG2 THR 69 10.163 -9.632 6.006 479 3HG2 THR 69 3HG2 THR 69 11.141 -9.718 4.542 480 H ILE 70 HN ILE 70 9.850 -8.708 2.404 481 HA ILE 70 HA ILE 70 12.043 -9.974 0.905 482 HB ILE 70 HB ILE 70 11.544 -8.764 -1.104 483 1HG1 ILE 70 2HG1 ILE 70 10.593 -6.736 -0.022 484 2HG1 ILE 70 1HG1 ILE 70 9.612 -7.317 -1.364 485 1HG2 ILE 70 1HG2 ILE 70 8.825 -9.694 -0.793 486 2HG2 ILE 70 2HG2 ILE 70 9.984 -10.827 -0.095 487 3HG2 ILE 70 3HG2 ILE 70 10.134 -10.339 -1.783 488 1HD1 ILE 70 1HD1 ILE 70 7.888 -7.165 0.019 489 2HD1 ILE 70 2HD1 ILE 70 8.935 -6.987 1.427 490 3HD1 ILE 70 3HD1 ILE 70 8.532 -8.596 0.825 491 H ASP 71 HN ASP 71 13.564 -8.307 0.004 492 HA ASP 71 HA ASP 71 14.009 -6.273 2.053 493 1HB ASP 71 HB2 ASP 71 16.266 -6.080 0.987 494 2HB ASP 71 HB1 ASP 71 15.923 -7.692 1.607 495 H VAL 72 HN VAL 72 14.337 -4.060 1.455 496 HA VAL 72 HA VAL 72 13.788 -3.366 -1.322 497 HB VAL 72 HB VAL 72 12.197 -1.512 -0.382 498 1HG1 VAL 72 1HG1 VAL 72 11.597 -3.249 -2.016 499 2HG1 VAL 72 2HG1 VAL 72 10.274 -2.885 -0.905 500 3HG1 VAL 72 3HG1 VAL 72 11.231 -4.352 -0.688 501 1HG2 VAL 72 1HG2 VAL 72 12.518 -3.251 1.910 502 2HG2 VAL 72 2HG2 VAL 72 10.831 -3.114 1.421 503 3HG2 VAL 72 3HG2 VAL 72 11.761 -1.663 1.792 504 H THR 73 HN THR 73 14.911 -1.591 -1.990 505 HA THR 73 HA THR 73 15.823 0.366 -0.072 506 HB THR 73 HB THR 73 17.691 -1.419 -1.640 507 HG1 THR 73 HG1 THR 73 17.228 -2.095 0.458 508 1HG2 THR 73 1HG2 THR 73 19.423 0.188 -0.435 509 2HG2 THR 73 2HG2 THR 73 18.135 1.356 -0.728 510 3HG2 THR 73 3HG2 THR 73 18.847 0.471 -2.078 511 H PHE 74 HN PHE 74 15.561 2.319 -1.013 512 HA PHE 74 HA PHE 74 14.943 2.403 -3.826 513 1HB PHE 74 HB2 PHE 74 14.808 4.419 -1.611 514 2HB PHE 74 HB1 PHE 74 14.488 4.846 -3.292 515 HD1 PHE 74 HD1 PHE 74 13.552 2.061 -0.980 516 HD2 PHE 74 HD2 PHE 74 12.291 4.942 -3.829 517 HE1 PHE 74 HE1 PHE 74 11.244 1.228 -0.788 518 HE2 PHE 74 HE2 PHE 74 9.973 4.129 -3.645 519 HZ PHE 74 HZ PHE 74 9.448 2.264 -2.122 520 HA PRO 75 HA PRO 75 19.057 3.551 -5.064 521 1HB PRO 75 HB2 PRO 75 18.455 4.286 -7.612 522 2HB PRO 75 HB1 PRO 75 18.597 2.604 -7.094 523 1HG PRO 75 HG2 PRO 75 16.141 4.266 -7.481 524 2HG PRO 75 HG1 PRO 75 16.434 2.580 -7.934 525 1HD PRO 75 HD2 PRO 75 15.027 3.271 -5.738 526 2HD PRO 75 HD1 PRO 75 16.029 1.806 -5.807 527 H GLU 76 HN GLU 76 19.938 5.436 -6.561 528 HA GLU 76 HA GLU 76 19.372 7.856 -5.142 529 1HB GLU 76 HB2 GLU 76 21.281 7.157 -7.358 530 2HB GLU 76 HB1 GLU 76 21.126 8.793 -6.739 531 1HG GLU 76 HG2 GLU 76 21.445 7.282 -4.459 532 2HG GLU 76 HG1 GLU 76 22.511 6.501 -5.625 533 H GLU 77 HN GLU 77 17.957 6.453 -7.853 534 HA GLU 77 HA GLU 77 17.420 8.947 -9.235 535 1HB GLU 77 HB2 GLU 77 16.216 7.599 -10.846 536 2HB GLU 77 HB1 GLU 77 17.764 6.843 -10.495 537 1HG GLU 77 HG2 GLU 77 16.468 5.003 -10.376 538 2HG GLU 77 HG1 GLU 77 16.281 5.554 -8.713 539 H TYR 78 HN TYR 78 15.751 6.693 -7.119 540 HA TYR 78 HA TYR 78 13.156 7.778 -7.403 541 1HB TYR 78 HB2 TYR 78 14.159 5.586 -6.173 542 2HB TYR 78 HB1 TYR 78 13.898 6.625 -4.779 543 HD1 TYR 78 HD1 TYR 78 12.375 4.441 -7.163 544 HD2 TYR 78 HD2 TYR 78 11.580 7.590 -4.416 545 HE1 TYR 78 HE1 TYR 78 9.998 3.818 -7.147 546 HE2 TYR 78 HE2 TYR 78 9.203 6.977 -4.384 547 HH TYR 78 HH TYR 78 7.711 5.290 -6.575 548 H HIS 79 HN HIS 79 15.186 7.980 -4.497 549 HA HIS 79 HA HIS 79 15.121 9.500 -2.786 550 1HB HIS 79 HB2 HIS 79 15.984 10.957 -5.254 551 2HB HIS 79 HB1 HIS 79 15.934 11.784 -3.699 552 HD2 HIS 79 HD2 HIS 79 17.054 8.125 -3.423 553 HE1 HIS 79 HE1 HIS 79 20.553 10.539 -3.322 554 HE2 HIS 79 HE2 HIS 79 19.592 8.246 -2.904 555 H ALA 80 HN ALA 80 12.553 9.078 -3.158 556 HA ALA 80 HA ALA 80 11.054 11.405 -3.883 557 1HB ALA 80 HB1 ALA 80 9.844 9.452 -4.156 558 2HB ALA 80 HB2 ALA 80 9.206 10.073 -2.633 559 3HB ALA 80 HB3 ALA 80 10.397 8.773 -2.624 560 H GLU 81 HN GLU 81 10.019 12.887 -2.532 561 HA GLU 81 HA GLU 81 11.386 13.713 -0.255 562 1HB GLU 81 HB2 GLU 81 9.520 14.840 -1.820 563 2HB GLU 81 HB1 GLU 81 8.517 14.432 -0.434 564 1HG GLU 81 HG2 GLU 81 10.979 15.649 0.420 565 2HG GLU 81 HG1 GLU 81 10.152 16.669 -0.755 566 H ASN 82 HN ASN 82 9.182 11.132 -0.528 567 HA ASN 82 HA ASN 82 8.289 11.281 2.222 568 1HB ASN 82 HB2 ASN 82 6.647 10.495 0.703 569 2HB ASN 82 HB1 ASN 82 7.763 9.350 -0.030 570 1HD2 ASN 82 1HD2 ASN 82 8.549 7.613 1.390 571 2HD2 ASN 82 2HD2 ASN 82 7.449 6.935 2.538 572 H LEU 83 HN LEU 83 10.172 8.938 0.292 573 HA LEU 83 HA LEU 83 11.546 8.154 2.770 574 1HB LEU 83 HB2 LEU 83 11.414 5.835 2.239 575 2HB LEU 83 HB1 LEU 83 9.796 6.498 2.202 576 HG LEU 83 HG LEU 83 9.703 5.185 0.340 577 1HD1 LEU 83 1HD1 LEU 83 11.029 7.607 -0.864 578 2HD1 LEU 83 2HD1 LEU 83 9.320 7.471 -0.453 579 3HD1 LEU 83 3HD1 LEU 83 10.008 6.441 -1.705 580 1HD2 LEU 83 1HD2 LEU 83 11.554 4.029 -0.042 581 2HD2 LEU 83 2HD2 LEU 83 12.588 5.343 0.496 582 3HD2 LEU 83 3HD2 LEU 83 11.999 5.319 -1.155 583 H LYS 84 HN LYS 84 12.123 9.705 0.164 584 HA LYS 84 HA LYS 84 13.778 8.940 -1.648 585 1HB LYS 84 HB2 LYS 84 15.458 10.743 -1.045 586 2HB LYS 84 HB1 LYS 84 13.785 11.254 -1.202 587 1HG LYS 84 HG2 LYS 84 13.585 11.753 0.995 588 2HG LYS 84 HG1 LYS 84 14.690 10.471 1.500 589 1HD LYS 84 HD2 LYS 84 15.774 12.540 1.949 590 2HD LYS 84 HD1 LYS 84 16.560 11.843 0.529 591 1HE LYS 84 HE2 LYS 84 16.165 14.227 0.221 592 2HE LYS 84 HE1 LYS 84 15.214 13.276 -0.920 593 1HZ LYS 84 HZ1 LYS 84 14.012 15.152 0.186 594 2HZ LYS 84 HZ2 LYS 84 14.118 14.291 1.638 595 3HZ LYS 84 HZ3 LYS 84 13.264 13.641 0.333 596 H GLY 85 HN GLY 85 15.273 7.446 -1.980 597 1HA GLY 85 HA2 GLY 85 16.866 5.836 -1.561 598 2HA GLY 85 HA1 GLY 85 17.713 7.174 -0.803 599 H LYS 86 HN LYS 86 14.914 5.135 0.048 600 HA LYS 86 HA LYS 86 15.999 4.913 2.760 601 1HB LYS 86 HB2 LYS 86 13.581 5.622 2.236 602 2HB LYS 86 HB1 LYS 86 13.301 3.925 1.886 603 1HG LYS 86 HG2 LYS 86 14.540 4.691 4.480 604 2HG LYS 86 HG1 LYS 86 12.807 4.935 4.248 605 1HD LYS 86 HD2 LYS 86 14.318 2.350 3.949 606 2HD LYS 86 HD1 LYS 86 13.219 2.776 5.261 607 1HE LYS 86 HE2 LYS 86 11.525 1.945 4.090 608 2HE LYS 86 HE1 LYS 86 11.811 3.152 2.837 609 1HZ LYS 86 HZ1 LYS 86 13.715 1.284 2.352 610 2HZ LYS 86 HZ2 LYS 86 12.238 1.410 1.537 611 3HZ LYS 86 HZ3 LYS 86 12.397 0.340 2.838 612 H ALA 87 HN ALA 87 17.588 3.332 2.501 613 HA ALA 87 HA ALA 87 16.992 0.800 1.255 614 1HB ALA 87 HB1 ALA 87 19.274 1.789 1.237 615 2HB ALA 87 HB2 ALA 87 19.228 0.153 1.893 616 3HB ALA 87 HB3 ALA 87 19.358 1.535 2.979 617 H ALA 88 HN ALA 88 15.510 -0.449 2.295 618 HA ALA 88 HA ALA 88 16.023 -1.017 5.133 619 1HB ALA 88 HB1 ALA 88 13.955 -0.394 5.855 620 2HB ALA 88 HB2 ALA 88 13.197 -0.719 4.299 621 3HB ALA 88 HB3 ALA 88 14.156 0.735 4.526 622 H LYS 89 HN LYS 89 14.075 -2.546 5.814 623 HA LYS 89 HA LYS 89 13.913 -4.822 3.954 624 1HB LYS 89 HB2 LYS 89 14.781 -4.778 6.834 625 2HB LYS 89 HB1 LYS 89 13.950 -6.192 6.201 626 1HG LYS 89 HG2 LYS 89 15.710 -6.824 4.915 627 2HG LYS 89 HG1 LYS 89 16.264 -5.168 4.661 628 1HD LYS 89 HD2 LYS 89 16.412 -6.024 7.448 629 2HD LYS 89 HD1 LYS 89 17.404 -7.001 6.364 630 1HE LYS 89 HE2 LYS 89 18.014 -4.546 5.459 631 2HE LYS 89 HE1 LYS 89 17.664 -4.165 7.144 632 1HZ LYS 89 HZ1 LYS 89 19.377 -5.513 7.889 633 2HZ LYS 89 HZ2 LYS 89 20.044 -4.804 6.506 634 3HZ LYS 89 HZ3 LYS 89 19.469 -6.391 6.446 635 H PHE 90 HN PHE 90 11.853 -5.801 3.950 636 HA PHE 90 HA PHE 90 9.932 -4.853 5.954 637 1HB PHE 90 HB2 PHE 90 9.283 -4.947 3.006 638 2HB PHE 90 HB1 PHE 90 8.172 -4.538 4.303 639 HD1 PHE 90 HD1 PHE 90 8.381 -2.912 1.999 640 HD2 PHE 90 HD2 PHE 90 10.723 -2.844 5.523 641 HE1 PHE 90 HE1 PHE 90 8.837 -0.506 1.647 642 HE2 PHE 90 HE2 PHE 90 11.203 -0.454 5.189 643 HZ PHE 90 HZ PHE 90 10.252 0.721 3.242 644 H ALA 91 HN ALA 91 8.029 -6.200 6.162 645 HA ALA 91 HA ALA 91 8.245 -8.836 4.907 646 1HB ALA 91 HB1 ALA 91 8.494 -8.274 7.642 647 2HB ALA 91 HB2 ALA 91 8.176 -9.851 6.918 648 3HB ALA 91 HB3 ALA 91 6.834 -8.834 7.443 649 H ILE 92 HN ILE 92 6.755 -8.584 3.389 650 HA ILE 92 HA ILE 92 4.369 -7.016 3.938 651 HB ILE 92 HB ILE 92 5.375 -8.116 1.328 652 1HG1 ILE 92 2HG1 ILE 92 6.052 -5.628 2.847 653 2HG1 ILE 92 1HG1 ILE 92 7.105 -6.728 1.996 654 1HG2 ILE 92 1HG2 ILE 92 3.275 -6.091 2.010 655 2HG2 ILE 92 2HG2 ILE 92 3.103 -7.589 1.096 656 3HG2 ILE 92 3HG2 ILE 92 3.987 -6.228 0.402 657 1HD1 ILE 92 1HD1 ILE 92 5.583 -5.722 -0.022 658 2HD1 ILE 92 2HD1 ILE 92 7.180 -5.137 0.448 659 3HD1 ILE 92 3HD1 ILE 92 5.730 -4.343 1.065 660 H ASN 93 HN ASN 93 2.350 -7.579 2.980 661 HA ASN 93 HA ASN 93 1.776 -10.433 2.691 662 1HB ASN 93 HB2 ASN 93 1.229 -9.567 5.030 663 2HB ASN 93 HB1 ASN 93 0.013 -8.556 4.264 664 1HD2 ASN 93 1HD2 ASN 93 -1.567 -9.741 2.871 665 2HD2 ASN 93 2HD2 ASN 93 -2.135 -11.267 3.452 666 H LEU 94 HN LEU 94 1.236 -10.428 0.541 667 HA LEU 94 HA LEU 94 0.066 -8.227 -0.790 668 1HB LEU 94 HB2 LEU 94 1.418 -10.104 -1.815 669 2HB LEU 94 HB1 LEU 94 -0.031 -11.084 -1.728 670 HG LEU 94 HG LEU 94 -1.181 -9.386 -3.163 671 1HD1 LEU 94 1HD1 LEU 94 1.433 -8.083 -2.851 672 2HD1 LEU 94 2HD1 LEU 94 -0.151 -7.389 -3.193 673 3HD1 LEU 94 3HD1 LEU 94 0.797 -8.108 -4.494 674 1HD2 LEU 94 1HD2 LEU 94 -0.006 -10.073 -5.239 675 2HD2 LEU 94 2HD2 LEU 94 -0.356 -11.410 -4.151 676 3HD2 LEU 94 3HD2 LEU 94 1.277 -10.758 -4.242 677 H LYS 95 HN LYS 95 -2.016 -8.020 -1.764 678 HA LYS 95 HA LYS 95 -4.110 -9.762 -0.748 679 1HB LYS 95 HB2 LYS 95 -4.083 -6.781 -0.245 680 2HB LYS 95 HB1 LYS 95 -5.473 -7.824 0.016 681 1HG LYS 95 HG2 LYS 95 -3.368 -9.021 1.412 682 2HG LYS 95 HG1 LYS 95 -3.234 -7.293 1.735 683 1HD LYS 95 HD2 LYS 95 -4.715 -7.836 3.375 684 2HD LYS 95 HD1 LYS 95 -5.865 -7.564 2.063 685 1HE LYS 95 HE2 LYS 95 -6.612 -9.606 2.670 686 2HE LYS 95 HE1 LYS 95 -5.288 -10.155 1.643 687 1HZ LYS 95 HZ1 LYS 95 -5.508 -10.168 4.561 688 2HZ LYS 95 HZ2 LYS 95 -3.973 -9.926 3.892 689 3HZ LYS 95 HZ3 LYS 95 -4.845 -11.327 3.521 690 H LYS 96 HN LYS 96 -5.293 -6.766 -1.771 691 HA LYS 96 HA LYS 96 -6.481 -7.922 -4.062 692 1HB LYS 96 HB2 LYS 96 -6.361 -5.028 -3.213 693 2HB LYS 96 HB1 LYS 96 -7.423 -5.680 -4.454 694 1HG LYS 96 HG2 LYS 96 -8.355 -7.204 -2.657 695 2HG LYS 96 HG1 LYS 96 -7.484 -6.196 -1.499 696 1HD LYS 96 HD2 LYS 96 -8.784 -4.336 -3.038 697 2HD LYS 96 HD1 LYS 96 -9.948 -5.661 -2.982 698 1HE LYS 96 HE2 LYS 96 -10.367 -5.369 -0.791 699 2HE LYS 96 HE1 LYS 96 -8.681 -5.022 -0.412 700 1HZ LYS 96 HZ1 LYS 96 -10.737 -3.159 -1.444 701 2HZ LYS 96 HZ2 LYS 96 -9.087 -2.791 -1.483 702 3HZ LYS 96 HZ3 LYS 96 -9.860 -3.052 -0.001 703 H VAL 97 HN VAL 97 -5.208 -8.479 -5.729 704 HA VAL 97 HA VAL 97 -3.438 -6.447 -6.888 705 HB VAL 97 HB VAL 97 -2.132 -8.357 -6.404 706 1HG1 VAL 97 1HG1 VAL 97 -3.135 -10.604 -7.589 707 2HG1 VAL 97 2HG1 VAL 97 -4.594 -9.821 -6.987 708 3HG1 VAL 97 3HG1 VAL 97 -3.280 -10.209 -5.876 709 1HG2 VAL 97 1HG2 VAL 97 -2.532 -9.365 -9.082 710 2HG2 VAL 97 2HG2 VAL 97 -1.170 -8.469 -8.413 711 3HG2 VAL 97 3HG2 VAL 97 -2.562 -7.602 -9.054 712 H GLU 98 HN GLU 98 -4.338 -5.448 -8.600 713 HA GLU 98 HA GLU 98 -5.845 -7.038 -10.531 714 1HB GLU 98 HB2 GLU 98 -6.916 -4.496 -9.295 715 2HB GLU 98 HB1 GLU 98 -7.665 -5.388 -10.613 716 1HG GLU 98 HG2 GLU 98 -8.877 -6.181 -8.867 717 2HG GLU 98 HG1 GLU 98 -7.573 -7.365 -8.883 718 H GLU 99 HN GLU 99 -6.458 -5.538 -12.491 719 HA GLU 99 HA GLU 99 -3.970 -4.244 -13.283 720 1HB GLU 99 HB2 GLU 99 -5.180 -5.993 -14.678 721 2HB GLU 99 HB1 GLU 99 -6.366 -4.744 -15.029 722 1HG GLU 99 HG2 GLU 99 -3.469 -4.235 -15.531 723 2HG GLU 99 HG1 GLU 99 -4.414 -5.181 -16.676 724 H ARG 100 HN ARG 100 -4.163 -2.314 -12.088 725 HA ARG 100 HA ARG 100 -6.317 -0.505 -12.298 726 1HB ARG 100 HB2 ARG 100 -4.884 1.080 -11.254 727 2HB ARG 100 HB1 ARG 100 -4.510 -0.494 -10.567 728 1HG ARG 100 HG2 ARG 100 -2.380 -0.265 -11.111 729 2HG ARG 100 HG1 ARG 100 -2.803 -0.047 -12.807 730 1HD ARG 100 HD2 ARG 100 -3.275 2.291 -11.085 731 2HD ARG 100 HD1 ARG 100 -1.587 1.824 -11.264 732 HE ARG 100 HE ARG 100 -3.378 2.557 -13.484 733 1HH1 ARG 100 1HH1 ARG 100 -0.160 2.206 -12.147 734 2HH1 ARG 100 2HH1 ARG 100 0.604 3.030 -13.461 735 1HH2 ARG 100 1HH2 ARG 100 -2.357 3.644 -15.204 736 2HH2 ARG 100 2HH2 ARG 100 -0.636 3.844 -15.191 737 H GLU 101 HN GLU 101 -6.845 0.986 -13.752 738 HA GLU 101 HA GLU 101 -4.932 1.898 -15.725 739 1HB GLU 101 HB2 GLU 101 -6.393 1.383 -17.620 740 2HB GLU 101 HB1 GLU 101 -5.933 -0.086 -16.771 741 1HG GLU 101 HG2 GLU 101 -8.188 0.310 -15.504 742 2HG GLU 101 HG1 GLU 101 -8.579 1.257 -16.939 743 H LEU 102 HN LEU 102 -5.728 3.389 -13.766 744 HA LEU 102 HA LEU 102 -7.968 5.025 -14.715 745 1HB LEU 102 HB2 LEU 102 -8.323 4.361 -12.482 746 2HB LEU 102 HB1 LEU 102 -6.661 4.683 -12.035 747 HG LEU 102 HG LEU 102 -8.185 7.039 -12.943 748 1HD1 LEU 102 1HD1 LEU 102 -10.003 6.316 -11.746 749 2HD1 LEU 102 2HD1 LEU 102 -9.086 7.137 -10.483 750 3HD1 LEU 102 3HD1 LEU 102 -9.025 5.380 -10.615 751 1HD2 LEU 102 1HD2 LEU 102 -6.662 8.114 -11.706 752 2HD2 LEU 102 2HD2 LEU 102 -5.808 6.570 -11.679 753 3HD2 LEU 102 3HD2 LEU 102 -6.862 7.021 -10.337 754 HA PRO 103 HA PRO 103 -4.791 7.880 -16.090 755 1HB PRO 103 HB2 PRO 103 -6.454 9.785 -17.067 756 2HB PRO 103 HB1 PRO 103 -6.107 8.283 -17.929 757 1HG PRO 103 HG2 PRO 103 -8.480 9.009 -16.262 758 2HG PRO 103 HG1 PRO 103 -8.418 8.137 -17.805 759 1HD PRO 103 HD2 PRO 103 -8.707 6.891 -15.406 760 2HD PRO 103 HD1 PRO 103 -7.902 6.138 -16.797 761 H GLU 104 HN GLU 104 -3.884 8.616 -14.207 762 HA GLU 104 HA GLU 104 -5.334 10.641 -12.662 763 1HB GLU 104 HB2 GLU 104 -3.546 8.541 -11.966 764 2HB GLU 104 HB1 GLU 104 -2.763 10.060 -11.550 765 1HG GLU 104 HG2 GLU 104 -4.543 10.686 -10.118 766 2HG GLU 104 HG1 GLU 104 -5.563 9.372 -10.704 767 H LEU 105 HN LEU 105 -2.023 10.139 -13.899 768 HA LEU 105 HA LEU 105 -1.625 13.032 -13.947 769 1HB LEU 105 HB2 LEU 105 0.122 10.654 -13.871 770 2HB LEU 105 HB1 LEU 105 0.729 12.006 -14.807 771 HG LEU 105 HG LEU 105 -0.267 12.824 -12.193 772 1HD1 LEU 105 1HD1 LEU 105 2.279 11.313 -12.006 773 2HD1 LEU 105 2HD1 LEU 105 0.773 10.398 -11.965 774 3HD1 LEU 105 3HD1 LEU 105 1.069 11.659 -10.769 775 1HD2 LEU 105 1HD2 LEU 105 2.563 13.145 -12.930 776 2HD2 LEU 105 2HD2 LEU 105 1.391 14.338 -12.370 777 3HD2 LEU 105 3HD2 LEU 105 1.399 13.836 -14.061 778 H THR 106 HN THR 106 -3.430 11.859 -15.858 779 HA THR 106 HA THR 106 -2.526 13.126 -18.204 780 HB THR 106 HB THR 106 -1.075 11.221 -18.486 781 HG1 THR 106 HG1 THR 106 -1.952 11.842 -20.408 782 1HG2 THR 106 1HG2 THR 106 -1.812 8.957 -18.604 783 2HG2 THR 106 2HG2 THR 106 -3.492 9.439 -18.361 784 3HG2 THR 106 3HG2 THR 106 -2.322 9.629 -17.055 Start of MODEL 23 1 1H GLY 1 HT1 GLY 1 -21.798 7.739 1.306 2 2H GLY 1 HT2 GLY 1 -23.249 6.895 1.094 3 3H GLY 1 HT3 GLY 1 -23.279 8.535 1.507 4 1HA GLY 1 HA1 GLY 1 -22.827 7.269 -1.076 5 2HA GLY 1 HA2 GLY 1 -23.648 8.774 -0.696 6 H SER 2 HN SER 2 -21.237 7.733 -2.450 7 HA SER 2 HA SER 2 -19.338 8.633 -3.322 8 1HB SER 2 HB2 SER 2 -20.530 11.117 -2.076 9 2HB SER 2 HB1 SER 2 -19.084 11.141 -3.085 10 HG SER 2 HG SER 2 -20.782 11.518 -4.434 11 H HIS 3 HN HIS 3 -19.265 7.437 -0.670 12 HA HIS 3 HA HIS 3 -17.603 8.935 1.062 13 1HB HIS 3 HB2 HIS 3 -18.932 6.484 1.167 14 2HB HIS 3 HB1 HIS 3 -17.228 6.063 1.296 15 HD2 HIS 3 HD2 HIS 3 -20.023 7.035 3.569 16 HE1 HIS 3 HE1 HIS 3 -16.485 8.229 5.586 17 HE2 HIS 3 HE2 HIS 3 -18.947 7.744 5.813 18 H MET 4 HN MET 4 -16.942 6.677 -1.556 19 HA MET 4 HA MET 4 -14.155 6.441 -1.078 20 1HB MET 4 HB2 MET 4 -15.645 6.073 -3.682 21 2HB MET 4 HB1 MET 4 -14.040 5.461 -3.304 22 1HG MET 4 HG2 MET 4 -14.966 3.590 -2.591 23 2HG MET 4 HG1 MET 4 -15.722 4.498 -1.283 24 1HE MET 4 HE1 MET 4 -17.037 2.637 -4.947 25 2HE MET 4 HE2 MET 4 -15.755 3.848 -4.897 26 3HE MET 4 HE3 MET 4 -17.377 4.301 -5.424 27 H GLN 5 HN GLN 5 -12.622 7.908 -1.364 28 HA GLN 5 HA GLN 5 -13.185 10.381 -2.732 29 1HB GLN 5 HB2 GLN 5 -11.017 9.321 -1.011 30 2HB GLN 5 HB1 GLN 5 -10.559 10.571 -2.159 31 1HG GLN 5 HG2 GLN 5 -12.317 12.025 -1.242 32 2HG GLN 5 HG1 GLN 5 -12.701 10.779 -0.056 33 1HE2 GLN 5 1HE2 GLN 5 -11.872 11.157 1.856 34 2HE2 GLN 5 2HE2 GLN 5 -10.376 11.956 2.187 35 H ALA 6 HN ALA 6 -10.474 8.083 -3.047 36 HA ALA 6 HA ALA 6 -9.891 8.978 -5.708 37 1HB ALA 6 HB1 ALA 6 -8.633 6.475 -5.102 38 2HB ALA 6 HB2 ALA 6 -8.529 7.547 -3.707 39 3HB ALA 6 HB3 ALA 6 -7.909 8.074 -5.272 40 H THR 7 HN THR 7 -9.811 7.517 -7.577 41 HA THR 7 HA THR 7 -11.892 5.435 -7.486 42 HB THR 7 HB THR 7 -11.476 7.428 -9.724 43 HG1 THR 7 HG1 THR 7 -12.493 8.222 -7.749 44 1HG2 THR 7 1HG2 THR 7 -13.151 5.014 -9.472 45 2HG2 THR 7 2HG2 THR 7 -12.448 5.771 -10.902 46 3HG2 THR 7 3HG2 THR 7 -13.908 6.444 -10.177 47 H TRP 8 HN TRP 8 -11.672 3.743 -9.038 48 HA TRP 8 HA TRP 8 -9.132 3.602 -10.465 49 1HB TRP 8 HB2 TRP 8 -10.075 1.552 -8.453 50 2HB TRP 8 HB1 TRP 8 -8.796 1.252 -9.628 51 HD1 TRP 8 HD1 TRP 8 -9.541 3.827 -6.824 52 HE1 TRP 8 HE1 TRP 8 -7.321 4.424 -5.684 53 HE3 TRP 8 HE3 TRP 8 -6.361 1.029 -9.709 54 HZ2 TRP 8 HZ2 TRP 8 -4.578 3.800 -5.963 55 HZ3 TRP 8 HZ3 TRP 8 -3.961 1.097 -9.205 56 HH2 TRP 8 HH2 TRP 8 -3.081 2.449 -7.373 57 H LYS 9 HN LYS 9 -9.088 1.459 -11.759 58 HA LYS 9 HA LYS 9 -11.738 0.654 -12.697 59 1HB LYS 9 HB2 LYS 9 -11.009 0.987 -15.071 60 2HB LYS 9 HB1 LYS 9 -11.230 2.485 -14.174 61 1HG LYS 9 HG2 LYS 9 -9.202 3.081 -14.838 62 2HG LYS 9 HG1 LYS 9 -8.557 1.823 -13.784 63 1HD LYS 9 HD2 LYS 9 -9.509 1.027 -16.486 64 2HD LYS 9 HD1 LYS 9 -7.987 1.911 -16.371 65 1HE LYS 9 HE2 LYS 9 -6.921 0.077 -15.703 66 2HE LYS 9 HE1 LYS 9 -8.059 -0.153 -14.383 67 1HZ LYS 9 HZ1 LYS 9 -8.273 -2.070 -15.640 68 2HZ LYS 9 HZ2 LYS 9 -8.162 -1.253 -17.117 69 3HZ LYS 9 HZ3 LYS 9 -9.569 -1.129 -16.187 70 H GLU 10 HN GLU 10 -9.127 -0.394 -11.377 71 HA GLU 10 HA GLU 10 -7.992 -2.231 -13.172 72 1HB GLU 10 HB2 GLU 10 -7.017 -3.266 -11.140 73 2HB GLU 10 HB1 GLU 10 -6.759 -1.533 -11.244 74 1HG GLU 10 HG2 GLU 10 -8.940 -1.442 -9.788 75 2HG GLU 10 HG1 GLU 10 -8.465 -3.086 -9.373 76 H LYS 11 HN LYS 11 -8.325 -4.337 -13.571 77 HA LYS 11 HA LYS 11 -10.946 -5.364 -13.281 78 1HB LYS 11 HB2 LYS 11 -8.468 -6.921 -14.029 79 2HB LYS 11 HB1 LYS 11 -10.132 -7.294 -14.458 80 1HG LYS 11 HG2 LYS 11 -10.240 -5.385 -15.911 81 2HG LYS 11 HG1 LYS 11 -8.639 -4.854 -15.397 82 1HD LYS 11 HD2 LYS 11 -7.563 -6.455 -16.621 83 2HD LYS 11 HD1 LYS 11 -8.907 -7.595 -16.512 84 1HE LYS 11 HE2 LYS 11 -8.671 -6.790 -18.788 85 2HE LYS 11 HE1 LYS 11 -10.186 -6.217 -18.091 86 1HZ LYS 11 HZ1 LYS 11 -8.558 -4.201 -17.480 87 2HZ LYS 11 HZ2 LYS 11 -9.476 -4.260 -18.898 88 3HZ LYS 11 HZ3 LYS 11 -7.848 -4.718 -18.927 89 H ASP 12 HN ASP 12 -10.126 -8.173 -12.759 90 HA ASP 12 HA ASP 12 -9.509 -8.014 -9.897 91 1HB ASP 12 HB2 ASP 12 -11.240 -9.788 -9.503 92 2HB ASP 12 HB1 ASP 12 -11.900 -8.228 -9.989 93 H GLY 13 HN GLY 13 -8.060 -8.872 -12.424 94 1HA GLY 13 HA2 GLY 13 -7.640 -11.712 -11.860 95 2HA GLY 13 HA1 GLY 13 -7.054 -10.839 -13.266 96 H ALA 14 HN ALA 14 -5.052 -12.011 -12.736 97 HA ALA 14 HA ALA 14 -3.587 -11.452 -10.378 98 1HB ALA 14 HB1 ALA 14 -1.706 -12.496 -11.540 99 2HB ALA 14 HB2 ALA 14 -2.603 -12.430 -13.057 100 3HB ALA 14 HB3 ALA 14 -3.182 -13.440 -11.731 101 H VAL 15 HN VAL 15 -1.085 -10.741 -11.082 102 HA VAL 15 HA VAL 15 -1.270 -7.896 -11.376 103 HB VAL 15 HB VAL 15 0.502 -8.936 -10.021 104 1HG1 VAL 15 1HG1 VAL 15 1.626 -10.678 -10.808 105 2HG1 VAL 15 2HG1 VAL 15 2.445 -9.591 -11.929 106 3HG1 VAL 15 3HG1 VAL 15 0.972 -10.424 -12.425 107 1HG2 VAL 15 1HG2 VAL 15 2.288 -7.628 -11.823 108 2HG2 VAL 15 2HG2 VAL 15 1.608 -7.043 -10.305 109 3HG2 VAL 15 3HG2 VAL 15 0.742 -6.780 -11.814 110 H GLU 16 HN GLU 16 -0.506 -6.603 -13.128 111 HA GLU 16 HA GLU 16 0.131 -8.034 -15.584 112 1HB GLU 16 HB2 GLU 16 -2.234 -6.324 -15.130 113 2HB GLU 16 HB1 GLU 16 -1.346 -6.008 -16.610 114 1HG GLU 16 HG2 GLU 16 -1.595 -8.783 -16.472 115 2HG GLU 16 HG1 GLU 16 -3.159 -8.143 -15.969 116 H ALA 17 HN ALA 17 0.988 -6.568 -17.233 117 HA ALA 17 HA ALA 17 3.302 -5.488 -16.910 118 1HB ALA 17 HB1 ALA 17 2.589 -3.430 -18.390 119 2HB ALA 17 HB2 ALA 17 1.073 -4.325 -18.496 120 3HB ALA 17 HB3 ALA 17 2.578 -5.071 -19.034 121 H GLU 18 HN GLU 18 0.788 -2.949 -16.610 122 HA GLU 18 HA GLU 18 2.391 -1.831 -14.395 123 1HB GLU 18 HB2 GLU 18 1.553 0.394 -15.100 124 2HB GLU 18 HB1 GLU 18 2.536 -0.399 -16.323 125 1HG GLU 18 HG2 GLU 18 -0.273 -1.014 -16.638 126 2HG GLU 18 HG1 GLU 18 0.031 0.721 -16.669 127 H ASP 19 HN ASP 19 0.976 -3.322 -13.098 128 HA ASP 19 HA ASP 19 -1.747 -2.326 -12.689 129 1HB ASP 19 HB2 ASP 19 -0.281 -4.815 -11.859 130 2HB ASP 19 HB1 ASP 19 -1.857 -4.398 -11.201 131 H ARG 20 HN ARG 20 -2.399 -2.827 -10.233 132 HA ARG 20 HA ARG 20 -0.459 -1.638 -8.404 133 1HB ARG 20 HB2 ARG 20 -2.325 -0.048 -9.464 134 2HB ARG 20 HB1 ARG 20 -3.275 -0.734 -8.157 135 1HG ARG 20 HG2 ARG 20 -2.422 0.841 -6.877 136 2HG ARG 20 HG1 ARG 20 -0.902 -0.040 -6.938 137 1HD ARG 20 HD2 ARG 20 -0.290 1.261 -8.953 138 2HD ARG 20 HD1 ARG 20 -1.772 2.192 -8.769 139 HE ARG 20 HE ARG 20 -0.107 2.193 -6.423 140 1HH1 ARG 20 1HH1 ARG 20 -0.742 3.747 -9.483 141 2HH1 ARG 20 2HH1 ARG 20 -0.018 5.248 -9.013 142 1HH2 ARG 20 1HH2 ARG 20 0.847 4.163 -5.803 143 2HH2 ARG 20 2HH2 ARG 20 0.887 5.485 -6.922 144 H VAL 21 HN VAL 21 -0.234 -3.076 -6.805 145 HA VAL 21 HA VAL 21 -2.420 -4.875 -6.091 146 HB VAL 21 HB VAL 21 -0.708 -6.023 -4.702 147 1HG1 VAL 21 1HG1 VAL 21 -1.169 -6.509 -7.168 148 2HG1 VAL 21 2HG1 VAL 21 0.332 -7.140 -6.482 149 3HG1 VAL 21 3HG1 VAL 21 0.357 -5.688 -7.488 150 1HG2 VAL 21 1HG2 VAL 21 1.671 -5.000 -5.775 151 2HG2 VAL 21 2HG2 VAL 21 1.111 -4.904 -4.105 152 3HG2 VAL 21 3HG2 VAL 21 0.743 -3.603 -5.233 153 H THR 22 HN THR 22 -2.692 -5.379 -3.717 154 HA THR 22 HA THR 22 -2.389 -2.947 -2.071 155 HB THR 22 HB THR 22 -4.659 -4.953 -2.057 156 HG1 THR 22 HG1 THR 22 -4.831 -3.426 -3.714 157 1HG2 THR 22 1HG2 THR 22 -5.448 -2.781 -0.564 158 2HG2 THR 22 2HG2 THR 22 -3.796 -3.082 -0.021 159 3HG2 THR 22 3HG2 THR 22 -5.000 -4.370 0.054 160 H ILE 23 HN ILE 23 -0.838 -3.365 -0.581 161 HA ILE 23 HA ILE 23 -0.862 -6.035 0.662 162 HB ILE 23 HB ILE 23 1.560 -6.028 0.793 163 1HG1 ILE 23 2HG1 ILE 23 1.678 -3.453 0.661 164 2HG1 ILE 23 1HG1 ILE 23 2.969 -4.394 -0.068 165 1HG2 ILE 23 1HG2 ILE 23 0.042 -6.280 -1.611 166 2HG2 ILE 23 2HG2 ILE 23 1.431 -7.217 -1.056 167 3HG2 ILE 23 3HG2 ILE 23 1.680 -5.747 -1.990 168 1HD1 ILE 23 1HD1 ILE 23 0.642 -3.330 -1.636 169 2HD1 ILE 23 2HD1 ILE 23 2.146 -4.000 -2.247 170 3HD1 ILE 23 3HD1 ILE 23 2.149 -2.447 -1.416 171 H ASP 24 HN ASP 24 -0.071 -6.222 2.753 172 HA ASP 24 HA ASP 24 0.099 -3.720 4.316 173 1HB ASP 24 HB2 ASP 24 -0.795 -5.115 6.234 174 2HB ASP 24 HB1 ASP 24 -1.955 -4.817 4.949 175 H PHE 25 HN PHE 25 2.109 -3.502 5.262 176 HA PHE 25 HA PHE 25 3.544 -5.955 5.979 177 1HB PHE 25 HB2 PHE 25 5.566 -5.294 4.878 178 2HB PHE 25 HB1 PHE 25 4.256 -5.259 3.703 179 HD1 PHE 25 HD1 PHE 25 3.959 -3.404 2.371 180 HD2 PHE 25 HD2 PHE 25 6.169 -3.031 5.998 181 HE1 PHE 25 HE1 PHE 25 4.511 -1.083 1.806 182 HE2 PHE 25 HE2 PHE 25 6.724 -0.699 5.419 183 HZ PHE 25 HZ PHE 25 5.878 0.270 3.313 184 H THR 26 HN THR 26 5.623 -5.470 7.121 185 HA THR 26 HA THR 26 5.660 -2.995 8.656 186 HB THR 26 HB THR 26 5.535 -5.612 10.143 187 HG1 THR 26 HG1 THR 26 3.374 -3.841 9.669 188 1HG2 THR 26 1HG2 THR 26 5.812 -2.835 10.912 189 2HG2 THR 26 2HG2 THR 26 6.071 -4.306 11.849 190 3HG2 THR 26 3HG2 THR 26 4.451 -3.625 11.705 191 H GLY 27 HN GLY 27 7.749 -2.377 8.642 192 1HA GLY 27 HA2 GLY 27 9.814 -4.165 9.539 193 2HA GLY 27 HA1 GLY 27 9.914 -3.848 7.819 194 H SER 28 HN SER 28 11.949 -3.223 9.593 195 HA SER 28 HA SER 28 11.858 -0.304 9.987 196 1HB SER 28 HB2 SER 28 14.369 -1.504 10.761 197 2HB SER 28 HB1 SER 28 13.151 -0.721 11.777 198 HG SER 28 HG SER 28 12.520 -2.613 12.424 199 H VAL 29 HN VAL 29 14.486 0.333 9.727 200 HA VAL 29 HA VAL 29 14.896 0.141 6.877 201 HB VAL 29 HB VAL 29 14.832 2.376 7.699 202 1HG1 VAL 29 1HG1 VAL 29 15.418 2.847 9.760 203 2HG1 VAL 29 2HG1 VAL 29 17.108 2.703 9.293 204 3HG1 VAL 29 3HG1 VAL 29 16.241 1.302 9.932 205 1HG2 VAL 29 1HG2 VAL 29 17.431 2.954 7.298 206 2HG2 VAL 29 2HG2 VAL 29 16.282 2.598 6.007 207 3HG2 VAL 29 3HG2 VAL 29 17.352 1.334 6.604 208 H ASP 30 HN ASP 30 17.802 0.853 8.580 209 HA ASP 30 HA ASP 30 18.831 -1.743 7.765 210 1HB ASP 30 HB2 ASP 30 21.060 -0.704 8.343 211 2HB ASP 30 HB1 ASP 30 20.186 0.104 7.044 212 H GLY 31 HN GLY 31 17.032 -1.762 9.896 213 1HA GLY 31 HA2 GLY 31 17.097 -3.141 11.831 214 2HA GLY 31 HA1 GLY 31 18.791 -2.718 12.045 215 H GLU 32 HN GLU 32 17.108 0.017 11.233 216 HA GLU 32 HA GLU 32 16.659 0.770 14.040 217 1HB GLU 32 HB2 GLU 32 17.602 2.608 11.840 218 2HB GLU 32 HB1 GLU 32 17.455 2.986 13.549 219 1HG GLU 32 HG2 GLU 32 19.168 0.709 13.161 220 2HG GLU 32 HG1 GLU 32 19.717 2.080 12.198 221 H GLU 33 HN GLU 33 15.471 3.076 13.825 222 HA GLU 33 HA GLU 33 12.834 2.512 13.241 223 1HB GLU 33 HB2 GLU 33 14.357 5.016 13.801 224 2HB GLU 33 HB1 GLU 33 12.697 5.147 13.238 225 1HG GLU 33 HG2 GLU 33 11.827 4.267 15.150 226 2HG GLU 33 HG1 GLU 33 13.262 3.303 15.491 227 H PHE 34 HN PHE 34 11.673 2.548 11.527 228 HA PHE 34 HA PHE 34 12.752 3.733 9.046 229 1HB PHE 34 HB2 PHE 34 12.477 1.285 8.936 230 2HB PHE 34 HB1 PHE 34 10.765 1.469 9.289 231 HD1 PHE 34 HD1 PHE 34 9.258 1.708 7.564 232 HD2 PHE 34 HD2 PHE 34 13.361 2.497 6.841 233 HE1 PHE 34 HE1 PHE 34 8.776 1.974 5.167 234 HE2 PHE 34 HE2 PHE 34 12.899 2.759 4.445 235 HZ PHE 34 HZ PHE 34 10.604 2.505 3.603 236 H GLU 35 HN GLU 35 11.207 4.683 7.568 237 HA GLU 35 HA GLU 35 9.363 6.389 8.904 238 1HB GLU 35 HB2 GLU 35 10.050 5.894 6.023 239 2HB GLU 35 HB1 GLU 35 8.674 6.903 6.444 240 1HG GLU 35 HG2 GLU 35 10.728 7.876 8.022 241 2HG GLU 35 HG1 GLU 35 11.500 7.510 6.479 242 H GLY 36 HN GLY 36 8.580 4.318 6.124 243 1HA GLY 36 HA2 GLY 36 5.887 3.963 7.131 244 2HA GLY 36 HA1 GLY 36 6.540 3.308 5.631 245 H GLY 37 HN GLY 37 7.547 2.987 9.034 246 1HA GLY 37 HA2 GLY 37 8.399 0.366 8.832 247 2HA GLY 37 HA1 GLY 37 7.911 1.138 10.329 248 H LYS 38 HN LYS 38 5.162 1.466 8.851 249 HA LYS 38 HA LYS 38 4.270 -1.299 8.927 250 1HB LYS 38 HB2 LYS 38 2.354 -0.613 10.455 251 2HB LYS 38 HB1 LYS 38 3.936 -0.811 11.198 252 1HG LYS 38 HG2 LYS 38 3.417 1.904 10.272 253 2HG LYS 38 HG1 LYS 38 2.287 1.345 11.507 254 1HD LYS 38 HD2 LYS 38 5.297 1.262 11.719 255 2HD LYS 38 HD1 LYS 38 4.251 2.463 12.481 256 1HE LYS 38 HE2 LYS 38 3.579 -0.361 13.003 257 2HE LYS 38 HE1 LYS 38 5.093 0.214 13.702 258 1HZ LYS 38 HZ1 LYS 38 2.435 1.482 14.085 259 2HZ LYS 38 HZ2 LYS 38 3.887 2.000 14.777 260 3HZ LYS 38 HZ3 LYS 38 3.227 0.506 15.218 261 H ALA 39 HN ALA 39 2.886 -1.676 7.388 262 HA ALA 39 HA ALA 39 1.132 0.467 6.435 263 1HB ALA 39 HB1 ALA 39 2.664 0.620 4.726 264 2HB ALA 39 HB2 ALA 39 1.566 -0.604 4.086 265 3HB ALA 39 HB3 ALA 39 3.099 -1.088 4.815 266 H SER 40 HN SER 40 -0.871 -0.196 5.818 267 HA SER 40 HA SER 40 -1.447 -3.064 6.170 268 1HB SER 40 HB2 SER 40 -3.658 -2.454 6.954 269 2HB SER 40 HB1 SER 40 -2.463 -1.553 7.886 270 HG SER 40 HG SER 40 -3.035 0.275 6.891 271 H ASP 41 HN ASP 41 -2.815 -0.188 4.550 272 HA ASP 41 HA ASP 41 -3.572 -1.874 2.303 273 1HB ASP 41 HB2 ASP 41 -4.998 0.108 1.664 274 2HB ASP 41 HB1 ASP 41 -5.475 -0.672 3.170 275 H PHE 42 HN PHE 42 -1.185 -1.810 1.845 276 HA PHE 42 HA PHE 42 -0.182 0.757 0.924 277 1HB PHE 42 HB2 PHE 42 1.270 -0.932 2.151 278 2HB PHE 42 HB1 PHE 42 1.184 -1.926 0.705 279 HD1 PHE 42 HD1 PHE 42 3.423 -1.933 -0.037 280 HD2 PHE 42 HD2 PHE 42 1.507 1.757 0.900 281 HE1 PHE 42 HE1 PHE 42 5.313 -0.703 -1.006 282 HE2 PHE 42 HE2 PHE 42 3.404 2.989 -0.060 283 HZ PHE 42 HZ PHE 42 5.311 1.759 -1.015 284 H VAL 43 HN VAL 43 -0.791 1.438 -1.031 285 HA VAL 43 HA VAL 43 -1.575 -0.508 -3.035 286 HB VAL 43 HB VAL 43 -1.615 2.499 -3.213 287 1HG1 VAL 43 1HG1 VAL 43 -3.643 1.403 -4.763 288 2HG1 VAL 43 2HG1 VAL 43 -2.261 0.336 -5.033 289 3HG1 VAL 43 3HG1 VAL 43 -2.117 2.069 -5.345 290 1HG2 VAL 43 1HG2 VAL 43 -4.159 1.990 -2.830 291 2HG2 VAL 43 2HG2 VAL 43 -3.062 2.158 -1.458 292 3HG2 VAL 43 3HG2 VAL 43 -3.535 0.553 -2.019 293 H LEU 44 HN LEU 44 0.273 -1.421 -3.789 294 HA LEU 44 HA LEU 44 2.476 0.257 -4.666 295 1HB LEU 44 HB2 LEU 44 2.286 -2.313 -3.631 296 2HB LEU 44 HB1 LEU 44 2.677 -2.567 -5.321 297 HG LEU 44 HG LEU 44 4.277 -1.025 -3.287 298 1HD1 LEU 44 1HD1 LEU 44 4.527 -3.640 -4.677 299 2HD1 LEU 44 2HD1 LEU 44 4.902 -3.204 -3.008 300 3HD1 LEU 44 3HD1 LEU 44 5.991 -2.731 -4.310 301 1HD2 LEU 44 1HD2 LEU 44 5.831 -1.077 -5.501 302 2HD2 LEU 44 2HD2 LEU 44 4.831 0.294 -5.024 303 3HD2 LEU 44 3HD2 LEU 44 4.236 -0.856 -6.222 304 H ALA 45 HN ALA 45 2.966 0.727 -6.711 305 HA ALA 45 HA ALA 45 1.093 -0.147 -8.795 306 1HB ALA 45 HB1 ALA 45 3.040 2.130 -8.595 307 2HB ALA 45 HB2 ALA 45 1.301 2.175 -8.868 308 3HB ALA 45 HB3 ALA 45 2.373 1.627 -10.148 309 H MET 46 HN MET 46 1.767 -2.084 -9.635 310 HA MET 46 HA MET 46 4.500 -2.840 -9.792 311 1HB MET 46 HB2 MET 46 1.936 -4.054 -10.339 312 2HB MET 46 HB1 MET 46 3.092 -4.436 -11.611 313 1HG MET 46 HG2 MET 46 3.504 -4.879 -8.663 314 2HG MET 46 HG1 MET 46 3.106 -6.115 -9.851 315 1HE MET 46 HE1 MET 46 4.422 -6.455 -11.955 316 2HE MET 46 HE2 MET 46 6.184 -6.480 -12.003 317 3HE MET 46 HE3 MET 46 5.313 -4.993 -12.376 318 H GLY 47 HN GLY 47 5.490 -1.139 -10.869 319 1HA GLY 47 HA2 GLY 47 6.676 -0.804 -12.940 320 2HA GLY 47 HA1 GLY 47 5.226 -1.298 -13.800 321 H GLN 48 HN GLN 48 5.980 1.158 -11.320 322 HA GLN 48 HA GLN 48 4.513 3.111 -12.962 323 1HB GLN 48 HB2 GLN 48 4.235 2.463 -10.273 324 2HB GLN 48 HB1 GLN 48 5.145 3.965 -10.250 325 1HG GLN 48 HG2 GLN 48 2.752 3.811 -11.995 326 2HG GLN 48 HG1 GLN 48 2.511 3.929 -10.252 327 1HE2 GLN 48 1HE2 GLN 48 1.998 5.814 -12.506 328 2HE2 GLN 48 2HE2 GLN 48 2.790 7.279 -12.049 329 H GLY 49 HN GLY 49 7.055 3.355 -10.478 330 1HA GLY 49 HA2 GLY 49 8.408 5.339 -12.171 331 2HA GLY 49 HA1 GLY 49 8.668 5.108 -10.447 332 H ARG 50 HN ARG 50 9.264 2.566 -10.112 333 HA ARG 50 HA ARG 50 10.870 1.275 -11.983 334 1HB ARG 50 HB2 ARG 50 13.121 1.791 -11.221 335 2HB ARG 50 HB1 ARG 50 12.326 3.253 -11.783 336 1HG ARG 50 HG2 ARG 50 12.685 4.245 -9.840 337 2HG ARG 50 HG1 ARG 50 11.855 2.944 -8.983 338 1HD ARG 50 HD2 ARG 50 14.255 3.369 -8.309 339 2HD ARG 50 HD1 ARG 50 13.846 1.708 -8.730 340 HE ARG 50 HE ARG 50 15.150 3.525 -10.647 341 1HH1 ARG 50 1HH1 ARG 50 15.012 0.455 -8.975 342 2HH1 ARG 50 2HH1 ARG 50 16.306 -0.235 -9.891 343 1HH2 ARG 50 1HH2 ARG 50 16.848 2.608 -11.843 344 2HH2 ARG 50 2HH2 ARG 50 17.349 0.984 -11.514 345 H MET 51 HN MET 51 9.313 -0.111 -10.714 346 HA MET 51 HA MET 51 9.460 -0.808 -8.088 347 1HB MET 51 HB2 MET 51 8.051 -1.790 -10.069 348 2HB MET 51 HB1 MET 51 9.323 -3.001 -10.123 349 1HG MET 51 HG2 MET 51 8.091 -4.098 -8.632 350 2HG MET 51 HG1 MET 51 8.728 -2.941 -7.466 351 1HE MET 51 HE1 MET 51 7.331 -0.582 -6.871 352 2HE MET 51 HE2 MET 51 5.813 -0.207 -7.688 353 3HE MET 51 HE3 MET 51 7.308 -0.322 -8.615 354 H ILE 52 HN ILE 52 11.137 -1.257 -6.839 355 HA ILE 52 HA ILE 52 13.656 -2.115 -7.849 356 HB ILE 52 HB ILE 52 13.948 -2.652 -5.235 357 1HG1 ILE 52 2HG1 ILE 52 11.823 -0.500 -5.251 358 2HG1 ILE 52 1HG1 ILE 52 11.515 -2.176 -4.805 359 1HG2 ILE 52 1HG2 ILE 52 14.699 -0.308 -4.966 360 2HG2 ILE 52 2HG2 ILE 52 13.949 0.072 -6.517 361 3HG2 ILE 52 3HG2 ILE 52 15.286 -1.075 -6.441 362 1HD1 ILE 52 1HD1 ILE 52 13.497 -0.387 -3.422 363 2HD1 ILE 52 2HD1 ILE 52 12.988 -2.000 -2.924 364 3HD1 ILE 52 3HD1 ILE 52 11.842 -0.660 -2.880 365 HA PRO 53 HA PRO 53 13.420 -6.511 -7.757 366 1HB PRO 53 HB2 PRO 53 15.597 -7.259 -6.265 367 2HB PRO 53 HB1 PRO 53 15.689 -6.736 -7.952 368 1HG PRO 53 HG2 PRO 53 16.210 -5.177 -5.451 369 2HG PRO 53 HG1 PRO 53 17.115 -5.182 -6.977 370 1HD PRO 53 HD2 PRO 53 15.395 -3.212 -6.363 371 2HD PRO 53 HD1 PRO 53 15.590 -3.790 -8.029 372 H GLY 54 HN GLY 54 13.347 -4.708 -4.850 373 1HA GLY 54 HA2 GLY 54 12.912 -6.898 -3.051 374 2HA GLY 54 HA1 GLY 54 12.678 -5.192 -2.708 375 H PHE 55 HN PHE 55 10.742 -4.255 -4.078 376 HA PHE 55 HA PHE 55 8.426 -5.589 -3.138 377 1HB PHE 55 HB2 PHE 55 8.873 -3.195 -4.908 378 2HB PHE 55 HB1 PHE 55 7.260 -3.841 -4.660 379 HD1 PHE 55 HD1 PHE 55 6.593 -4.137 -2.079 380 HD2 PHE 55 HD2 PHE 55 9.598 -1.509 -3.567 381 HE1 PHE 55 HE1 PHE 55 6.378 -2.762 -0.071 382 HE2 PHE 55 HE2 PHE 55 9.382 -0.126 -1.548 383 HZ PHE 55 HZ PHE 55 7.766 -0.748 0.199 384 H GLU 56 HN GLU 56 9.825 -5.066 -6.340 385 HA GLU 56 HA GLU 56 7.890 -6.274 -7.901 386 1HB GLU 56 HB2 GLU 56 10.040 -5.030 -8.596 387 2HB GLU 56 HB1 GLU 56 10.825 -6.599 -8.473 388 1HG GLU 56 HG2 GLU 56 9.538 -7.502 -10.216 389 2HG GLU 56 HG1 GLU 56 8.380 -6.173 -10.157 390 H ASP 57 HN ASP 57 10.043 -7.731 -5.645 391 HA ASP 57 HA ASP 57 9.944 -10.355 -6.821 392 1HB ASP 57 HB2 ASP 57 11.531 -9.100 -4.884 393 2HB ASP 57 HB1 ASP 57 10.657 -10.354 -4.015 394 H GLY 58 HN GLY 58 9.001 -9.436 -3.502 395 1HA GLY 58 HA2 GLY 58 7.158 -11.566 -3.287 396 2HA GLY 58 HA1 GLY 58 7.299 -10.211 -2.179 397 H ILE 59 HN ILE 59 6.580 -8.070 -3.557 398 HA ILE 59 HA ILE 59 3.765 -8.414 -3.909 399 HB ILE 59 HB ILE 59 5.455 -5.943 -4.364 400 1HG1 ILE 59 2HG1 ILE 59 4.644 -5.503 -1.924 401 2HG1 ILE 59 1HG1 ILE 59 4.518 -7.243 -1.831 402 1HG2 ILE 59 1HG2 ILE 59 3.395 -5.324 -5.082 403 2HG2 ILE 59 2HG2 ILE 59 3.185 -5.017 -3.359 404 3HG2 ILE 59 3HG2 ILE 59 2.561 -6.504 -4.073 405 1HD1 ILE 59 1HD1 ILE 59 6.724 -7.477 -1.643 406 2HD1 ILE 59 2HD1 ILE 59 6.738 -5.753 -1.282 407 3HD1 ILE 59 3HD1 ILE 59 7.038 -6.313 -2.921 408 H LYS 60 HN LYS 60 5.241 -9.792 -5.715 409 HA LYS 60 HA LYS 60 5.549 -8.684 -8.290 410 1HB LYS 60 HB2 LYS 60 4.990 -11.403 -7.245 411 2HB LYS 60 HB1 LYS 60 4.457 -11.119 -8.895 412 1HG LYS 60 HG2 LYS 60 7.105 -10.112 -8.567 413 2HG LYS 60 HG1 LYS 60 7.035 -11.773 -7.990 414 1HD LYS 60 HD2 LYS 60 5.574 -11.562 -10.439 415 2HD LYS 60 HD1 LYS 60 7.174 -10.849 -10.656 416 1HE LYS 60 HE2 LYS 60 8.261 -12.844 -10.060 417 2HE LYS 60 HE1 LYS 60 6.795 -13.531 -9.362 418 1HZ LYS 60 HZ1 LYS 60 5.864 -13.453 -11.688 419 2HZ LYS 60 HZ2 LYS 60 7.089 -14.588 -11.419 420 3HZ LYS 60 HZ3 LYS 60 7.439 -13.141 -12.224 421 H GLY 61 HN GLY 61 2.816 -10.269 -6.808 422 1HA GLY 61 HA2 GLY 61 0.603 -9.210 -6.737 423 2HA GLY 61 HA1 GLY 61 0.936 -8.614 -8.361 424 H HIS 62 HN HIS 62 1.537 -11.727 -6.884 425 HA HIS 62 HA HIS 62 -0.225 -12.970 -8.919 426 1HB HIS 62 HB2 HIS 62 1.374 -14.928 -8.846 427 2HB HIS 62 HB1 HIS 62 1.994 -13.461 -9.594 428 HD2 HIS 62 HD2 HIS 62 2.170 -13.322 -5.768 429 HE1 HIS 62 HE1 HIS 62 6.012 -14.466 -7.155 430 HE2 HIS 62 HE2 HIS 62 4.675 -13.614 -5.198 431 H LYS 63 HN LYS 63 0.320 -12.598 -5.626 432 HA LYS 63 HA LYS 63 -1.330 -14.969 -5.065 433 1HB LYS 63 HB2 LYS 63 0.941 -13.860 -3.411 434 2HB LYS 63 HB1 LYS 63 -0.183 -15.085 -2.841 435 1HG LYS 63 HG2 LYS 63 1.117 -15.692 -5.403 436 2HG LYS 63 HG1 LYS 63 2.197 -15.609 -4.010 437 1HD LYS 63 HD2 LYS 63 1.558 -17.829 -3.983 438 2HD LYS 63 HD1 LYS 63 0.398 -17.106 -2.867 439 1HE LYS 63 HE2 LYS 63 -0.720 -16.876 -5.439 440 2HE LYS 63 HE1 LYS 63 -0.074 -18.512 -5.323 441 1HZ LYS 63 HZ1 LYS 63 -1.452 -19.021 -3.557 442 2HZ LYS 63 HZ2 LYS 63 -2.455 -18.061 -4.523 443 3HZ LYS 63 HZ3 LYS 63 -1.724 -17.401 -3.148 444 H ALA 64 HN ALA 64 -3.180 -13.610 -5.221 445 HA ALA 64 HA ALA 64 -3.590 -11.271 -3.726 446 1HB ALA 64 HB1 ALA 64 -5.035 -11.908 -5.585 447 2HB ALA 64 HB2 ALA 64 -5.977 -11.661 -4.116 448 3HB ALA 64 HB3 ALA 64 -5.620 -13.297 -4.667 449 H GLY 65 HN GLY 65 -2.908 -11.488 -1.588 450 1HA GLY 65 HA2 GLY 65 -3.855 -11.734 0.617 451 2HA GLY 65 HA1 GLY 65 -4.632 -13.210 0.073 452 H GLU 66 HN GLU 66 -1.273 -12.272 -0.460 453 HA GLU 66 HA GLU 66 -0.433 -14.738 0.874 454 1HB GLU 66 HB2 GLU 66 0.298 -13.652 -1.514 455 2HB GLU 66 HB1 GLU 66 1.597 -13.091 -0.476 456 1HG GLU 66 HG2 GLU 66 1.658 -15.596 0.281 457 2HG GLU 66 HG1 GLU 66 0.870 -15.859 -1.274 458 H GLU 67 HN GLU 67 1.678 -14.657 2.028 459 HA GLU 67 HA GLU 67 2.145 -12.159 3.487 460 1HB GLU 67 HB2 GLU 67 2.471 -13.600 5.574 461 2HB GLU 67 HB1 GLU 67 0.813 -13.324 5.057 462 1HG GLU 67 HG2 GLU 67 1.101 -15.570 3.797 463 2HG GLU 67 HG1 GLU 67 2.451 -15.814 4.906 464 H PHE 68 HN PHE 68 4.130 -11.709 2.665 465 HA PHE 68 HA PHE 68 6.228 -13.746 3.056 466 1HB PHE 68 HB2 PHE 68 7.219 -12.972 0.866 467 2HB PHE 68 HB1 PHE 68 5.711 -13.882 0.728 468 HD1 PHE 68 HD1 PHE 68 3.754 -12.895 -0.125 469 HD2 PHE 68 HD2 PHE 68 7.202 -10.531 0.627 470 HE1 PHE 68 HE1 PHE 68 2.717 -11.022 -1.311 471 HE2 PHE 68 HE2 PHE 68 6.172 -8.643 -0.569 472 HZ PHE 68 HZ PHE 68 3.920 -8.889 -1.545 473 H THR 69 HN THR 69 8.453 -12.775 2.818 474 HA THR 69 HA THR 69 8.499 -10.008 3.805 475 HB THR 69 HB THR 69 10.319 -12.248 4.706 476 HG1 THR 69 HG1 THR 69 8.663 -12.706 5.908 477 1HG2 THR 69 1HG2 THR 69 10.366 -9.365 5.135 478 2HG2 THR 69 2HG2 THR 69 11.632 -10.572 5.353 479 3HG2 THR 69 3HG2 THR 69 10.430 -10.315 6.618 480 H ILE 70 HN ILE 70 9.687 -8.666 2.560 481 HA ILE 70 HA ILE 70 11.927 -9.862 1.058 482 HB ILE 70 HB ILE 70 11.434 -8.625 -0.927 483 1HG1 ILE 70 2HG1 ILE 70 10.468 -6.620 0.193 484 2HG1 ILE 70 1HG1 ILE 70 9.523 -7.166 -1.188 485 1HG2 ILE 70 1HG2 ILE 70 8.860 -9.484 -1.140 486 2HG2 ILE 70 2HG2 ILE 70 9.455 -10.460 0.201 487 3HG2 ILE 70 3HG2 ILE 70 10.288 -10.497 -1.353 488 1HD1 ILE 70 1HD1 ILE 70 8.812 -7.003 1.640 489 2HD1 ILE 70 2HD1 ILE 70 8.314 -8.496 0.843 490 3HD1 ILE 70 3HD1 ILE 70 7.793 -6.936 0.200 491 H ASP 71 HN ASP 71 13.430 -8.167 0.196 492 HA ASP 71 HA ASP 71 13.841 -6.152 2.273 493 1HB ASP 71 HB2 ASP 71 15.582 -7.829 0.729 494 2HB ASP 71 HB1 ASP 71 15.952 -6.148 0.354 495 H VAL 72 HN VAL 72 14.219 -3.924 1.649 496 HA VAL 72 HA VAL 72 13.615 -3.245 -1.119 497 HB VAL 72 HB VAL 72 12.040 -1.391 -0.178 498 1HG1 VAL 72 1HG1 VAL 72 10.088 -2.882 -0.505 499 2HG1 VAL 72 2HG1 VAL 72 11.188 -4.263 -0.501 500 3HG1 VAL 72 3HG1 VAL 72 11.313 -3.041 -1.767 501 1HG2 VAL 72 1HG2 VAL 72 11.968 -3.463 1.994 502 2HG2 VAL 72 2HG2 VAL 72 10.645 -2.344 1.695 503 3HG2 VAL 72 3HG2 VAL 72 12.230 -1.726 2.144 504 H THR 73 HN THR 73 14.733 -1.472 -1.805 505 HA THR 73 HA THR 73 15.647 0.499 0.079 506 HB THR 73 HB THR 73 17.548 -1.263 -1.478 507 HG1 THR 73 HG1 THR 73 16.885 -0.995 1.203 508 1HG2 THR 73 1HG2 THR 73 19.202 0.274 -0.046 509 2HG2 THR 73 2HG2 THR 73 17.934 1.450 -0.398 510 3HG2 THR 73 3HG2 THR 73 18.758 0.618 -1.717 511 H PHE 74 HN PHE 74 15.328 2.402 -0.912 512 HA PHE 74 HA PHE 74 14.848 2.427 -3.747 513 1HB PHE 74 HB2 PHE 74 14.574 4.495 -1.589 514 2HB PHE 74 HB1 PHE 74 14.283 4.853 -3.291 515 HD1 PHE 74 HD1 PHE 74 13.348 2.209 -0.811 516 HD2 PHE 74 HD2 PHE 74 12.120 4.760 -3.978 517 HE1 PHE 74 HE1 PHE 74 11.057 1.312 -0.642 518 HE2 PHE 74 HE2 PHE 74 9.829 3.885 -3.813 519 HZ PHE 74 HZ PHE 74 9.294 2.163 -2.143 520 HA PRO 75 HA PRO 75 19.009 3.605 -4.796 521 1HB PRO 75 HB2 PRO 75 18.532 4.278 -7.389 522 2HB PRO 75 HB1 PRO 75 18.666 2.609 -6.826 523 1HG PRO 75 HG2 PRO 75 16.211 4.236 -7.363 524 2HG PRO 75 HG1 PRO 75 16.549 2.548 -7.787 525 1HD PRO 75 HD2 PRO 75 15.024 3.223 -5.672 526 2HD PRO 75 HD1 PRO 75 16.075 1.790 -5.660 527 H GLU 76 HN GLU 76 19.985 5.464 -6.220 528 HA GLU 76 HA GLU 76 19.276 7.915 -4.922 529 1HB GLU 76 HB2 GLU 76 21.183 8.861 -6.135 530 2HB GLU 76 HB1 GLU 76 21.611 7.354 -5.339 531 1HG GLU 76 HG2 GLU 76 20.703 7.125 -8.131 532 2HG GLU 76 HG1 GLU 76 22.247 7.938 -7.876 533 H GLU 77 HN GLU 77 18.218 6.402 -7.758 534 HA GLU 77 HA GLU 77 17.673 8.861 -9.195 535 1HB GLU 77 HB2 GLU 77 16.588 7.330 -10.855 536 2HB GLU 77 HB1 GLU 77 18.286 6.992 -10.551 537 1HG GLU 77 HG2 GLU 77 16.880 5.419 -8.725 538 2HG GLU 77 HG1 GLU 77 15.994 5.290 -10.243 539 H TYR 78 HN TYR 78 15.951 6.513 -7.240 540 HA TYR 78 HA TYR 78 13.323 7.382 -7.849 541 1HB TYR 78 HB2 TYR 78 14.208 5.240 -6.589 542 2HB TYR 78 HB1 TYR 78 14.018 6.251 -5.162 543 HD1 TYR 78 HD1 TYR 78 12.406 4.056 -7.412 544 HD2 TYR 78 HD2 TYR 78 11.684 7.355 -4.821 545 HE1 TYR 78 HE1 TYR 78 10.020 3.473 -7.346 546 HE2 TYR 78 HE2 TYR 78 9.295 6.783 -4.753 547 HH TYR 78 HH TYR 78 8.080 3.824 -5.875 548 H HIS 79 HN HIS 79 15.042 7.788 -4.777 549 HA HIS 79 HA HIS 79 14.677 9.293 -3.097 550 1HB HIS 79 HB2 HIS 79 15.691 10.784 -5.479 551 2HB HIS 79 HB1 HIS 79 15.420 11.625 -3.955 552 HD2 HIS 79 HD2 HIS 79 16.720 8.101 -3.338 553 HE1 HIS 79 HE1 HIS 79 20.089 10.685 -3.211 554 HE2 HIS 79 HE2 HIS 79 19.245 8.342 -2.821 555 H ALA 80 HN ALA 80 12.280 8.913 -3.087 556 HA ALA 80 HA ALA 80 10.659 11.020 -4.240 557 1HB ALA 80 HB1 ALA 80 8.967 9.612 -2.627 558 2HB ALA 80 HB2 ALA 80 10.174 8.396 -3.047 559 3HB ALA 80 HB3 ALA 80 9.299 9.242 -4.320 560 H GLU 81 HN GLU 81 9.685 12.657 -3.154 561 HA GLU 81 HA GLU 81 10.854 13.913 -1.061 562 1HB GLU 81 HB2 GLU 81 8.850 14.565 -2.642 563 2HB GLU 81 HB1 GLU 81 7.883 14.096 -1.250 564 1HG GLU 81 HG2 GLU 81 9.534 15.679 0.032 565 2HG GLU 81 HG1 GLU 81 9.768 16.372 -1.573 566 H ASN 82 HN ASN 82 8.645 11.201 -0.754 567 HA ASN 82 HA ASN 82 8.337 11.736 2.093 568 1HB ASN 82 HB2 ASN 82 6.733 9.855 2.070 569 2HB ASN 82 HB1 ASN 82 6.325 11.134 0.931 570 1HD2 ASN 82 1HD2 ASN 82 7.962 8.019 1.160 571 2HD2 ASN 82 2HD2 ASN 82 7.527 7.474 -0.419 572 H LEU 83 HN LEU 83 9.834 9.230 0.042 573 HA LEU 83 HA LEU 83 11.171 8.285 2.483 574 1HB LEU 83 HB2 LEU 83 10.740 6.041 2.097 575 2HB LEU 83 HB1 LEU 83 9.219 6.826 1.760 576 HG LEU 83 HG LEU 83 9.266 5.390 0.003 577 1HD1 LEU 83 1HD1 LEU 83 9.528 7.796 -0.890 578 2HD1 LEU 83 2HD1 LEU 83 9.723 6.439 -1.995 579 3HD1 LEU 83 3HD1 LEU 83 11.141 7.271 -1.364 580 1HD2 LEU 83 1HD2 LEU 83 11.501 4.505 0.823 581 2HD2 LEU 83 2HD2 LEU 83 12.223 5.581 -0.377 582 3HD2 LEU 83 3HD2 LEU 83 11.111 4.323 -0.879 583 H LYS 84 HN LYS 84 11.864 9.831 -0.089 584 HA LYS 84 HA LYS 84 13.472 8.738 -1.861 585 1HB LYS 84 HB2 LYS 84 14.941 10.683 -1.798 586 2HB LYS 84 HB1 LYS 84 13.261 11.150 -1.611 587 1HG LYS 84 HG2 LYS 84 13.649 12.094 0.362 588 2HG LYS 84 HG1 LYS 84 14.550 10.694 0.944 589 1HD LYS 84 HD2 LYS 84 16.353 11.674 -0.767 590 2HD LYS 84 HD1 LYS 84 15.515 13.173 -0.360 591 1HE LYS 84 HE2 LYS 84 15.823 12.435 2.083 592 2HE LYS 84 HE1 LYS 84 17.011 11.300 1.443 593 1HZ LYS 84 HZ1 LYS 84 17.705 13.685 2.213 594 2HZ LYS 84 HZ2 LYS 84 17.209 14.115 0.655 595 3HZ LYS 84 HZ3 LYS 84 18.433 12.968 0.865 596 H GLY 85 HN GLY 85 15.040 7.334 -1.997 597 1HA GLY 85 HA2 GLY 85 16.768 5.938 -1.443 598 2HA GLY 85 HA1 GLY 85 17.447 7.349 -0.653 599 H LYS 86 HN LYS 86 14.669 5.212 0.095 600 HA LYS 86 HA LYS 86 15.687 5.053 2.837 601 1HB LYS 86 HB2 LYS 86 13.109 5.379 1.802 602 2HB LYS 86 HB1 LYS 86 13.140 3.745 2.438 603 1HG LYS 86 HG2 LYS 86 12.693 4.657 4.416 604 2HG LYS 86 HG1 LYS 86 14.359 5.228 4.422 605 1HD LYS 86 HD2 LYS 86 12.039 6.759 3.260 606 2HD LYS 86 HD1 LYS 86 12.652 6.987 4.896 607 1HE LYS 86 HE2 LYS 86 14.479 7.190 2.532 608 2HE LYS 86 HE1 LYS 86 13.474 8.556 3.013 609 1HZ LYS 86 HZ1 LYS 86 15.915 8.053 3.994 610 2HZ LYS 86 HZ2 LYS 86 14.946 7.321 5.171 611 3HZ LYS 86 HZ3 LYS 86 14.735 8.958 4.801 612 H ALA 87 HN ALA 87 17.305 3.501 2.643 613 HA ALA 87 HA ALA 87 16.747 0.936 1.435 614 1HB ALA 87 HB1 ALA 87 19.125 1.680 3.129 615 2HB ALA 87 HB2 ALA 87 19.008 2.039 1.405 616 3HB ALA 87 HB3 ALA 87 19.001 0.364 1.960 617 H ALA 88 HN ALA 88 15.069 0.000 2.617 618 HA ALA 88 HA ALA 88 15.753 -0.679 5.400 619 1HB ALA 88 HB1 ALA 88 13.478 -0.346 6.087 620 2HB ALA 88 HB2 ALA 88 12.984 -0.009 4.427 621 3HB ALA 88 HB3 ALA 88 14.058 1.105 5.275 622 H LYS 89 HN LYS 89 13.854 -2.242 6.160 623 HA LYS 89 HA LYS 89 13.722 -4.497 4.267 624 1HB LYS 89 HB2 LYS 89 15.367 -5.143 5.862 625 2HB LYS 89 HB1 LYS 89 14.437 -4.489 7.200 626 1HG LYS 89 HG2 LYS 89 12.725 -6.269 6.751 627 2HG LYS 89 HG1 LYS 89 13.872 -6.977 5.611 628 1HD LYS 89 HD2 LYS 89 14.029 -8.066 7.787 629 2HD LYS 89 HD1 LYS 89 15.518 -7.198 7.413 630 1HE LYS 89 HE2 LYS 89 15.328 -6.006 9.277 631 2HE LYS 89 HE1 LYS 89 13.735 -5.436 8.782 632 1HZ LYS 89 HZ1 LYS 89 13.056 -7.816 9.621 633 2HZ LYS 89 HZ2 LYS 89 13.197 -6.516 10.691 634 3HZ LYS 89 HZ3 LYS 89 14.451 -7.642 10.564 635 H PHE 90 HN PHE 90 11.724 -5.554 4.194 636 HA PHE 90 HA PHE 90 9.681 -4.700 6.132 637 1HB PHE 90 HB2 PHE 90 9.152 -4.862 3.165 638 2HB PHE 90 HB1 PHE 90 7.977 -4.493 4.413 639 HD1 PHE 90 HD1 PHE 90 8.092 -2.920 2.128 640 HD2 PHE 90 HD2 PHE 90 10.463 -2.618 5.626 641 HE1 PHE 90 HE1 PHE 90 8.398 -0.506 1.712 642 HE2 PHE 90 HE2 PHE 90 10.792 -0.215 5.218 643 HZ PHE 90 HZ PHE 90 9.748 0.841 3.249 644 H ALA 91 HN ALA 91 7.868 -6.145 6.324 645 HA ALA 91 HA ALA 91 8.185 -8.745 5.009 646 1HB ALA 91 HB1 ALA 91 8.329 -8.208 7.790 647 2HB ALA 91 HB2 ALA 91 8.236 -9.783 7.003 648 3HB ALA 91 HB3 ALA 91 6.758 -8.956 7.496 649 H ILE 92 HN ILE 92 6.665 -8.531 3.491 650 HA ILE 92 HA ILE 92 4.217 -7.076 4.092 651 HB ILE 92 HB ILE 92 5.202 -8.057 1.424 652 1HG1 ILE 92 2HG1 ILE 92 5.894 -5.601 2.998 653 2HG1 ILE 92 1HG1 ILE 92 6.952 -6.698 2.150 654 1HG2 ILE 92 1HG2 ILE 92 3.812 -6.087 0.640 655 2HG2 ILE 92 2HG2 ILE 92 3.115 -6.079 2.259 656 3HG2 ILE 92 3HG2 ILE 92 2.949 -7.505 1.232 657 1HD1 ILE 92 1HD1 ILE 92 5.430 -5.676 0.127 658 2HD1 ILE 92 2HD1 ILE 92 7.036 -5.117 0.591 659 3HD1 ILE 92 3HD1 ILE 92 5.604 -4.303 1.218 660 H ASN 93 HN ASN 93 2.223 -7.671 3.067 661 HA ASN 93 HA ASN 93 1.744 -10.531 2.697 662 1HB ASN 93 HB2 ASN 93 0.266 -8.669 4.553 663 2HB ASN 93 HB1 ASN 93 -0.478 -10.139 3.933 664 1HD2 ASN 93 1HD2 ASN 93 -0.589 -10.550 6.288 665 2HD2 ASN 93 2HD2 ASN 93 0.758 -11.336 7.032 666 H LEU 94 HN LEU 94 1.231 -10.521 0.553 667 HA LEU 94 HA LEU 94 0.026 -8.357 -0.794 668 1HB LEU 94 HB2 LEU 94 1.407 -10.299 -1.742 669 2HB LEU 94 HB1 LEU 94 -0.099 -11.192 -1.763 670 HG LEU 94 HG LEU 94 -1.064 -9.453 -3.251 671 1HD1 LEU 94 1HD1 LEU 94 1.024 -8.158 -4.380 672 2HD1 LEU 94 2HD1 LEU 94 1.531 -8.196 -2.693 673 3HD1 LEU 94 3HD1 LEU 94 -0.014 -7.469 -3.132 674 1HD2 LEU 94 1HD2 LEU 94 0.082 -11.554 -4.050 675 2HD2 LEU 94 2HD2 LEU 94 1.494 -10.554 -4.384 676 3HD2 LEU 94 3HD2 LEU 94 -0.028 -10.241 -5.221 677 H LYS 95 HN LYS 95 -2.039 -8.167 -1.768 678 HA LYS 95 HA LYS 95 -4.132 -9.945 -0.835 679 1HB LYS 95 HB2 LYS 95 -4.149 -6.984 -0.211 680 2HB LYS 95 HB1 LYS 95 -5.525 -8.057 -0.009 681 1HG LYS 95 HG2 LYS 95 -2.952 -8.679 1.366 682 2HG LYS 95 HG1 LYS 95 -4.031 -7.449 2.021 683 1HD LYS 95 HD2 LYS 95 -5.869 -9.210 1.844 684 2HD LYS 95 HD1 LYS 95 -4.566 -10.374 1.603 685 1HE LYS 95 HE2 LYS 95 -4.651 -10.533 3.849 686 2HE LYS 95 HE1 LYS 95 -3.643 -9.088 3.777 687 1HZ LYS 95 HZ1 LYS 95 -6.561 -8.775 3.779 688 2HZ LYS 95 HZ2 LYS 95 -5.368 -7.741 4.387 689 3HZ LYS 95 HZ3 LYS 95 -5.784 -9.142 5.237 690 H LYS 96 HN LYS 96 -5.217 -6.860 -1.781 691 HA LYS 96 HA LYS 96 -6.406 -7.934 -4.125 692 1HB LYS 96 HB2 LYS 96 -7.060 -5.910 -2.471 693 2HB LYS 96 HB1 LYS 96 -6.362 -4.997 -3.802 694 1HG LYS 96 HG2 LYS 96 -8.179 -5.277 -5.041 695 2HG LYS 96 HG1 LYS 96 -8.161 -7.021 -4.784 696 1HD LYS 96 HD2 LYS 96 -9.251 -5.023 -2.807 697 2HD LYS 96 HD1 LYS 96 -10.237 -5.895 -3.983 698 1HE LYS 96 HE2 LYS 96 -8.445 -7.481 -2.226 699 2HE LYS 96 HE1 LYS 96 -9.887 -6.771 -1.501 700 1HZ LYS 96 HZ1 LYS 96 -11.265 -7.928 -3.027 701 2HZ LYS 96 HZ2 LYS 96 -10.183 -9.061 -2.389 702 3HZ LYS 96 HZ3 LYS 96 -9.943 -8.448 -3.947 703 H VAL 97 HN VAL 97 -5.121 -8.451 -5.796 704 HA VAL 97 HA VAL 97 -3.327 -6.389 -6.867 705 HB VAL 97 HB VAL 97 -2.033 -8.320 -6.375 706 1HG1 VAL 97 1HG1 VAL 97 -3.016 -10.483 -7.781 707 2HG1 VAL 97 2HG1 VAL 97 -4.462 -9.749 -7.093 708 3HG1 VAL 97 3HG1 VAL 97 -3.135 -10.237 -6.038 709 1HG2 VAL 97 1HG2 VAL 97 -2.258 -9.194 -9.108 710 2HG2 VAL 97 2HG2 VAL 97 -0.977 -8.265 -8.332 711 3HG2 VAL 97 3HG2 VAL 97 -2.373 -7.437 -9.014 712 H GLU 98 HN GLU 98 -4.477 -5.285 -8.386 713 HA GLU 98 HA GLU 98 -6.027 -6.879 -10.322 714 1HB GLU 98 HB2 GLU 98 -6.680 -4.106 -9.320 715 2HB GLU 98 HB1 GLU 98 -7.622 -5.038 -10.478 716 1HG GLU 98 HG2 GLU 98 -8.546 -6.346 -8.888 717 2HG GLU 98 HG1 GLU 98 -7.095 -6.341 -7.887 718 H GLU 99 HN GLU 99 -6.649 -5.077 -12.217 719 HA GLU 99 HA GLU 99 -4.017 -4.259 -13.249 720 1HB GLU 99 HB2 GLU 99 -5.525 -6.051 -14.407 721 2HB GLU 99 HB1 GLU 99 -6.415 -4.653 -14.992 722 1HG GLU 99 HG2 GLU 99 -3.477 -4.653 -15.349 723 2HG GLU 99 HG1 GLU 99 -4.425 -5.747 -16.352 724 H ARG 100 HN ARG 100 -3.998 -2.196 -12.343 725 HA ARG 100 HA ARG 100 -6.121 -0.324 -12.796 726 1HB ARG 100 HB2 ARG 100 -4.614 1.315 -11.802 727 2HB ARG 100 HB1 ARG 100 -4.637 -0.159 -10.842 728 1HG ARG 100 HG2 ARG 100 -2.478 -0.640 -11.278 729 2HG ARG 100 HG1 ARG 100 -2.547 0.009 -12.915 730 1HD ARG 100 HD2 ARG 100 -2.896 2.112 -10.990 731 2HD ARG 100 HD1 ARG 100 -1.426 1.206 -10.642 732 HE ARG 100 HE ARG 100 -0.797 1.638 -13.003 733 1HH1 ARG 100 1HH1 ARG 100 -3.067 3.764 -11.402 734 2HH1 ARG 100 2HH1 ARG 100 -2.703 5.111 -12.421 735 1HH2 ARG 100 1HH2 ARG 100 -0.328 3.409 -14.334 736 2HH2 ARG 100 2HH2 ARG 100 -1.155 4.909 -14.088 737 H GLU 101 HN GLU 101 -5.773 1.748 -13.903 738 HA GLU 101 HA GLU 101 -3.793 2.294 -15.756 739 1HB GLU 101 HB2 GLU 101 -4.634 0.243 -16.906 740 2HB GLU 101 HB1 GLU 101 -6.203 1.019 -17.068 741 1HG GLU 101 HG2 GLU 101 -5.561 1.995 -18.933 742 2HG GLU 101 HG1 GLU 101 -4.230 2.784 -18.086 743 H LEU 102 HN LEU 102 -4.841 3.947 -14.119 744 HA LEU 102 HA LEU 102 -7.190 5.277 -15.053 745 1HB LEU 102 HB2 LEU 102 -5.165 5.800 -12.920 746 2HB LEU 102 HB1 LEU 102 -6.255 7.085 -13.396 747 HG LEU 102 HG LEU 102 -8.161 5.870 -12.658 748 1HD1 LEU 102 1HD1 LEU 102 -7.131 3.630 -13.514 749 2HD1 LEU 102 2HD1 LEU 102 -8.270 3.618 -12.174 750 3HD1 LEU 102 3HD1 LEU 102 -6.541 3.491 -11.861 751 1HD2 LEU 102 1HD2 LEU 102 -7.333 6.830 -10.762 752 2HD2 LEU 102 2HD2 LEU 102 -5.811 5.940 -10.849 753 3HD2 LEU 102 3HD2 LEU 102 -7.275 5.131 -10.286 754 HA PRO 103 HA PRO 103 -4.081 8.651 -16.569 755 1HB PRO 103 HB2 PRO 103 -1.468 7.310 -16.624 756 2HB PRO 103 HB1 PRO 103 -1.908 8.877 -15.936 757 1HG PRO 103 HG2 PRO 103 -1.285 6.775 -14.385 758 2HG PRO 103 HG1 PRO 103 -2.509 7.965 -13.904 759 1HD PRO 103 HD2 PRO 103 -2.888 5.233 -15.088 760 2HD PRO 103 HD1 PRO 103 -3.757 6.013 -13.752 761 H GLU 104 HN GLU 104 -4.662 8.668 -18.650 762 HA GLU 104 HA GLU 104 -4.077 6.383 -20.353 763 1HB GLU 104 HB2 GLU 104 -5.957 8.652 -20.410 764 2HB GLU 104 HB1 GLU 104 -5.325 8.178 -21.981 765 1HG GLU 104 HG2 GLU 104 -6.015 5.818 -21.401 766 2HG GLU 104 HG1 GLU 104 -6.882 6.509 -20.029 767 H LEU 105 HN LEU 105 -3.639 9.918 -20.537 768 HA LEU 105 HA LEU 105 -1.517 9.524 -22.511 769 1HB LEU 105 HB2 LEU 105 -2.735 12.099 -21.514 770 2HB LEU 105 HB1 LEU 105 -1.659 11.915 -22.888 771 HG LEU 105 HG LEU 105 -3.804 10.201 -23.426 772 1HD1 LEU 105 1HD1 LEU 105 -5.786 11.379 -23.080 773 2HD1 LEU 105 2HD1 LEU 105 -4.939 12.877 -22.693 774 3HD1 LEU 105 3HD1 LEU 105 -4.926 11.535 -21.548 775 1HD2 LEU 105 1HD2 LEU 105 -4.360 12.239 -25.014 776 2HD2 LEU 105 2HD2 LEU 105 -2.926 11.241 -25.258 777 3HD2 LEU 105 3HD2 LEU 105 -2.787 12.801 -24.446 778 H THR 106 HN THR 106 0.497 9.329 -21.814 779 HA THR 106 HA THR 106 1.240 10.307 -19.180 780 HB THR 106 HB THR 106 3.346 9.092 -19.563 781 HG1 THR 106 HG1 THR 106 3.427 9.406 -21.843 782 1HG2 THR 106 1HG2 THR 106 0.749 7.839 -19.584 783 2HG2 THR 106 2HG2 THR 106 2.223 7.378 -18.732 784 3HG2 THR 106 3HG2 THR 106 1.963 6.847 -20.393 Start of MODEL 24 1 1H GLY 1 HT1 GLY 1 -15.901 20.645 1.314 2 2H GLY 1 HT2 GLY 1 -15.362 20.062 2.807 3 3H GLY 1 HT3 GLY 1 -14.978 19.229 1.385 4 1HA GLY 1 HA1 GLY 1 -14.129 22.026 1.684 5 2HA GLY 1 HA2 GLY 1 -13.223 20.764 2.505 6 H SER 2 HN SER 2 -14.828 20.197 -0.541 7 HA SER 2 HA SER 2 -14.049 19.643 -2.602 8 1HB SER 2 HB2 SER 2 -12.712 22.037 -1.855 9 2HB SER 2 HB1 SER 2 -11.533 21.013 -2.675 10 HG SER 2 HG SER 2 -12.813 20.969 -4.464 11 H HIS 3 HN HIS 3 -13.701 17.468 -1.937 12 HA HIS 3 HA HIS 3 -10.865 16.775 -1.535 13 1HB HIS 3 HB2 HIS 3 -13.363 15.729 -0.348 14 2HB HIS 3 HB1 HIS 3 -12.168 14.515 -0.796 15 HD2 HIS 3 HD2 HIS 3 -9.473 16.112 0.187 16 HE1 HIS 3 HE1 HIS 3 -11.439 16.231 3.947 17 HE2 HIS 3 HE2 HIS 3 -9.226 16.376 2.749 18 H MET 4 HN MET 4 -9.922 15.913 -3.254 19 HA MET 4 HA MET 4 -11.573 14.683 -5.334 20 1HB MET 4 HB2 MET 4 -8.737 15.706 -5.295 21 2HB MET 4 HB1 MET 4 -9.380 14.768 -6.637 22 1HG MET 4 HG2 MET 4 -10.691 17.283 -5.660 23 2HG MET 4 HG1 MET 4 -9.407 17.289 -6.868 24 1HE MET 4 HE1 MET 4 -12.683 18.105 -8.778 25 2HE MET 4 HE2 MET 4 -10.973 18.185 -9.203 26 3HE MET 4 HE3 MET 4 -11.514 18.750 -7.623 27 H GLN 5 HN GLN 5 -11.884 12.570 -5.135 28 HA GLN 5 HA GLN 5 -9.962 10.893 -3.763 29 1HB GLN 5 HB2 GLN 5 -12.495 10.703 -3.554 30 2HB GLN 5 HB1 GLN 5 -12.476 9.991 -5.160 31 1HG GLN 5 HG2 GLN 5 -11.915 8.011 -4.353 32 2HG GLN 5 HG1 GLN 5 -10.549 8.692 -3.474 33 1HE2 GLN 5 1HE2 GLN 5 -11.512 6.743 -2.167 34 2HE2 GLN 5 2HE2 GLN 5 -12.579 7.205 -0.888 35 H ALA 6 HN ALA 6 -8.989 9.023 -4.677 36 HA ALA 6 HA ALA 6 -8.008 9.441 -7.328 37 1HB ALA 6 HB1 ALA 6 -6.662 7.472 -6.950 38 2HB ALA 6 HB2 ALA 6 -7.624 7.050 -5.533 39 3HB ALA 6 HB3 ALA 6 -6.623 8.502 -5.517 40 H THR 7 HN THR 7 -8.366 8.252 -9.176 41 HA THR 7 HA THR 7 -10.799 6.598 -9.148 42 HB THR 7 HB THR 7 -11.063 8.493 -10.580 43 HG1 THR 7 HG1 THR 7 -11.838 6.587 -11.495 44 1HG2 THR 7 1HG2 THR 7 -9.228 8.177 -12.656 45 2HG2 THR 7 2HG2 THR 7 -8.283 8.117 -11.167 46 3HG2 THR 7 3HG2 THR 7 -9.325 9.502 -11.495 47 H TRP 8 HN TRP 8 -10.837 4.583 -10.096 48 HA TRP 8 HA TRP 8 -8.374 3.555 -11.285 49 1HB TRP 8 HB2 TRP 8 -9.762 2.283 -8.923 50 2HB TRP 8 HB1 TRP 8 -8.488 1.518 -9.867 51 HD1 TRP 8 HD1 TRP 8 -9.021 4.543 -7.530 52 HE1 TRP 8 HE1 TRP 8 -6.755 5.112 -6.438 53 HE3 TRP 8 HE3 TRP 8 -6.050 1.255 -10.071 54 HZ2 TRP 8 HZ2 TRP 8 -4.062 4.275 -6.638 55 HZ3 TRP 8 HZ3 TRP 8 -3.647 1.206 -9.572 56 HH2 TRP 8 HH2 TRP 8 -2.672 2.678 -7.892 57 H LYS 9 HN LYS 9 -8.654 1.451 -12.316 58 HA LYS 9 HA LYS 9 -11.381 0.624 -12.888 59 1HB LYS 9 HB2 LYS 9 -10.752 0.601 -15.396 60 2HB LYS 9 HB1 LYS 9 -11.251 2.121 -14.668 61 1HG LYS 9 HG2 LYS 9 -8.485 2.034 -14.331 62 2HG LYS 9 HG1 LYS 9 -8.772 1.423 -15.961 63 1HD LYS 9 HD2 LYS 9 -9.971 3.974 -14.892 64 2HD LYS 9 HD1 LYS 9 -8.458 3.908 -15.798 65 1HE LYS 9 HE2 LYS 9 -11.114 2.899 -16.810 66 2HE LYS 9 HE1 LYS 9 -10.435 4.479 -17.190 67 1HZ LYS 9 HZ1 LYS 9 -10.013 2.829 -18.931 68 2HZ LYS 9 HZ2 LYS 9 -9.144 1.883 -17.830 69 3HZ LYS 9 HZ3 LYS 9 -8.575 3.417 -18.260 70 H GLU 10 HN GLU 10 -9.052 -0.491 -11.528 71 HA GLU 10 HA GLU 10 -7.797 -2.413 -13.171 72 1HB GLU 10 HB2 GLU 10 -8.129 -2.755 -10.207 73 2HB GLU 10 HB1 GLU 10 -6.803 -3.275 -11.236 74 1HG GLU 10 HG2 GLU 10 -5.740 -1.323 -11.082 75 2HG GLU 10 HG1 GLU 10 -7.223 -0.378 -11.177 76 H LYS 11 HN LYS 11 -8.164 -4.537 -13.536 77 HA LYS 11 HA LYS 11 -10.853 -5.448 -13.454 78 1HB LYS 11 HB2 LYS 11 -9.961 -7.509 -14.443 79 2HB LYS 11 HB1 LYS 11 -9.314 -6.090 -15.249 80 1HG LYS 11 HG2 LYS 11 -7.222 -6.322 -14.118 81 2HG LYS 11 HG1 LYS 11 -7.854 -7.611 -13.109 82 1HD LYS 11 HD2 LYS 11 -6.459 -8.484 -14.926 83 2HD LYS 11 HD1 LYS 11 -8.128 -9.040 -15.059 84 1HE LYS 11 HE2 LYS 11 -7.819 -6.570 -16.481 85 2HE LYS 11 HE1 LYS 11 -6.575 -7.707 -17.000 86 1HZ LYS 11 HZ1 LYS 11 -8.909 -7.696 -18.122 87 2HZ LYS 11 HZ2 LYS 11 -9.352 -8.639 -16.789 88 3HZ LYS 11 HZ3 LYS 11 -8.118 -9.162 -17.821 89 H ASP 12 HN ASP 12 -10.448 -8.221 -12.808 90 HA ASP 12 HA ASP 12 -9.989 -8.040 -9.903 91 1HB ASP 12 HB2 ASP 12 -12.426 -8.398 -11.000 92 2HB ASP 12 HB1 ASP 12 -11.900 -10.076 -10.896 93 H GLY 13 HN GLY 13 -8.255 -8.964 -12.193 94 1HA GLY 13 HA2 GLY 13 -7.916 -11.783 -11.434 95 2HA GLY 13 HA1 GLY 13 -7.315 -11.055 -12.914 96 H ALA 14 HN ALA 14 -5.265 -11.994 -12.417 97 HA ALA 14 HA ALA 14 -3.828 -11.333 -10.052 98 1HB ALA 14 HB1 ALA 14 -2.137 -12.057 -12.283 99 2HB ALA 14 HB2 ALA 14 -3.523 -13.136 -12.133 100 3HB ALA 14 HB3 ALA 14 -2.434 -12.906 -10.766 101 H VAL 15 HN VAL 15 -1.326 -10.669 -10.887 102 HA VAL 15 HA VAL 15 -1.477 -7.825 -11.150 103 HB VAL 15 HB VAL 15 0.359 -8.869 -9.927 104 1HG1 VAL 15 1HG1 VAL 15 0.447 -10.795 -11.695 105 2HG1 VAL 15 2HG1 VAL 15 1.901 -10.321 -10.815 106 3HG1 VAL 15 3HG1 VAL 15 1.644 -9.753 -12.465 107 1HG2 VAL 15 1HG2 VAL 15 1.817 -7.239 -10.444 108 2HG2 VAL 15 2HG2 VAL 15 0.547 -6.703 -11.531 109 3HG2 VAL 15 3HG2 VAL 15 1.875 -7.681 -12.147 110 H GLU 16 HN GLU 16 -0.595 -6.546 -12.923 111 HA GLU 16 HA GLU 16 -0.355 -7.961 -15.459 112 1HB GLU 16 HB2 GLU 16 -2.301 -5.807 -14.769 113 2HB GLU 16 HB1 GLU 16 -1.601 -5.820 -16.384 114 1HG GLU 16 HG2 GLU 16 -2.345 -8.418 -16.093 115 2HG GLU 16 HG1 GLU 16 -3.601 -7.583 -15.180 116 H ALA 17 HN ALA 17 0.703 -6.693 -17.092 117 HA ALA 17 HA ALA 17 3.133 -5.869 -16.810 118 1HB ALA 17 HB1 ALA 17 1.789 -5.569 -18.903 119 2HB ALA 17 HB2 ALA 17 3.018 -4.337 -18.620 120 3HB ALA 17 HB3 ALA 17 1.321 -3.981 -18.297 121 H GLU 18 HN GLU 18 0.886 -3.088 -16.643 122 HA GLU 18 HA GLU 18 2.579 -2.011 -14.482 123 1HB GLU 18 HB2 GLU 18 1.046 -0.499 -16.600 124 2HB GLU 18 HB1 GLU 18 1.975 0.237 -15.301 125 1HG GLU 18 HG2 GLU 18 4.015 -0.468 -16.201 126 2HG GLU 18 HG1 GLU 18 3.238 -1.640 -17.265 127 H ASP 19 HN ASP 19 1.000 -3.378 -13.190 128 HA ASP 19 HA ASP 19 -1.587 -2.055 -12.836 129 1HB ASP 19 HB2 ASP 19 -2.432 -4.053 -12.229 130 2HB ASP 19 HB1 ASP 19 -1.044 -4.656 -13.104 131 H ARG 20 HN ARG 20 -2.258 -2.739 -10.291 132 HA ARG 20 HA ARG 20 -0.239 -1.641 -8.498 133 1HB ARG 20 HB2 ARG 20 -2.866 -0.368 -9.140 134 2HB ARG 20 HB1 ARG 20 -2.230 -0.231 -7.508 135 1HG ARG 20 HG2 ARG 20 -0.279 0.424 -9.579 136 2HG ARG 20 HG1 ARG 20 -1.695 1.472 -9.572 137 1HD ARG 20 HD2 ARG 20 -1.182 1.386 -6.940 138 2HD ARG 20 HD1 ARG 20 0.448 1.174 -7.565 139 HE ARG 20 HE ARG 20 -0.528 3.297 -8.965 140 1HH1 ARG 20 1HH1 ARG 20 -0.184 2.552 -5.576 141 2HH1 ARG 20 2HH1 ARG 20 -0.036 4.209 -5.096 142 1HH2 ARG 20 1HH2 ARG 20 -0.333 5.486 -8.334 143 2HH2 ARG 20 2HH2 ARG 20 -0.119 5.873 -6.659 144 H VAL 21 HN VAL 21 -0.100 -3.143 -6.938 145 HA VAL 21 HA VAL 21 -2.461 -4.710 -6.202 146 HB VAL 21 HB VAL 21 -0.924 -6.146 -4.951 147 1HG1 VAL 21 1HG1 VAL 21 0.338 -5.708 -7.635 148 2HG1 VAL 21 2HG1 VAL 21 -1.303 -6.334 -7.482 149 3HG1 VAL 21 3HG1 VAL 21 0.054 -7.226 -6.778 150 1HG2 VAL 21 1HG2 VAL 21 0.927 -3.918 -5.427 151 2HG2 VAL 21 2HG2 VAL 21 1.613 -5.526 -5.668 152 3HG2 VAL 21 3HG2 VAL 21 0.882 -5.103 -4.119 153 H THR 22 HN THR 22 -2.671 -5.257 -3.802 154 HA THR 22 HA THR 22 -2.191 -2.834 -2.188 155 HB THR 22 HB THR 22 -4.507 -4.779 -2.008 156 HG1 THR 22 HG1 THR 22 -4.830 -3.366 -3.690 157 1HG2 THR 22 1HG2 THR 22 -4.769 -4.096 0.080 158 2HG2 THR 22 2HG2 THR 22 -5.122 -2.493 -0.566 159 3HG2 THR 22 3HG2 THR 22 -3.478 -2.904 -0.077 160 H ILE 23 HN ILE 23 -0.631 -3.248 -0.729 161 HA ILE 23 HA ILE 23 -0.615 -5.923 0.520 162 HB ILE 23 HB ILE 23 1.814 -5.867 0.617 163 1HG1 ILE 23 2HG1 ILE 23 1.497 -3.233 -0.820 164 2HG1 ILE 23 1HG1 ILE 23 2.278 -3.527 0.730 165 1HG2 ILE 23 1HG2 ILE 23 0.673 -5.493 -2.143 166 2HG2 ILE 23 2HG2 ILE 23 0.906 -7.002 -1.266 167 3HG2 ILE 23 3HG2 ILE 23 2.304 -6.090 -1.825 168 1HD1 ILE 23 1HD1 ILE 23 3.355 -3.667 -1.949 169 2HD1 ILE 23 2HD1 ILE 23 3.667 -5.131 -1.018 170 3HD1 ILE 23 3HD1 ILE 23 4.186 -3.567 -0.395 171 H ASP 24 HN ASP 24 0.176 -6.063 2.633 172 HA ASP 24 HA ASP 24 0.371 -3.525 4.135 173 1HB ASP 24 HB2 ASP 24 -0.644 -4.712 6.067 174 2HB ASP 24 HB1 ASP 24 -1.747 -4.638 4.699 175 H PHE 25 HN PHE 25 2.351 -3.350 5.164 176 HA PHE 25 HA PHE 25 3.751 -5.836 5.853 177 1HB PHE 25 HB2 PHE 25 5.798 -5.140 4.800 178 2HB PHE 25 HB1 PHE 25 4.505 -5.108 3.609 179 HD1 PHE 25 HD1 PHE 25 4.246 -3.259 2.274 180 HD2 PHE 25 HD2 PHE 25 6.310 -2.849 5.979 181 HE1 PHE 25 HE1 PHE 25 4.795 -0.931 1.722 182 HE2 PHE 25 HE2 PHE 25 6.864 -0.515 5.412 183 HZ PHE 25 HZ PHE 25 6.089 0.442 3.274 184 H THR 26 HN THR 26 5.816 -5.414 7.032 185 HA THR 26 HA THR 26 5.903 -2.964 8.595 186 HB THR 26 HB THR 26 5.477 -5.646 9.927 187 HG1 THR 26 HG1 THR 26 3.535 -4.921 9.136 188 1HG2 THR 26 1HG2 THR 26 4.982 -3.569 11.719 189 2HG2 THR 26 2HG2 THR 26 6.515 -3.176 10.938 190 3HG2 THR 26 3HG2 THR 26 6.311 -4.728 11.751 191 H GLY 27 HN GLY 27 8.002 -2.417 8.568 192 1HA GLY 27 HA2 GLY 27 10.005 -4.260 9.495 193 2HA GLY 27 HA1 GLY 27 10.133 -3.939 7.780 194 H SER 28 HN SER 28 12.259 -3.352 9.144 195 HA SER 28 HA SER 28 12.190 -0.449 9.709 196 1HB SER 28 HB2 SER 28 14.594 -2.054 10.420 197 2HB SER 28 HB1 SER 28 13.779 -0.788 11.324 198 HG SER 28 HG SER 28 12.345 -2.230 12.104 199 H VAL 29 HN VAL 29 14.373 0.612 9.244 200 HA VAL 29 HA VAL 29 15.094 -0.008 6.504 201 HB VAL 29 HB VAL 29 15.798 2.426 8.112 202 1HG1 VAL 29 1HG1 VAL 29 16.497 3.429 6.073 203 2HG1 VAL 29 2HG1 VAL 29 15.880 2.075 5.127 204 3HG1 VAL 29 3HG1 VAL 29 17.281 1.853 6.174 205 1HG2 VAL 29 1HG2 VAL 29 14.033 3.583 6.915 206 2HG2 VAL 29 2HG2 VAL 29 13.375 2.216 7.811 207 3HG2 VAL 29 3HG2 VAL 29 13.609 2.097 6.071 208 H ASP 30 HN ASP 30 17.226 1.620 8.775 209 HA ASP 30 HA ASP 30 19.278 -0.369 8.167 210 1HB ASP 30 HB2 ASP 30 19.279 2.475 9.032 211 2HB ASP 30 HB1 ASP 30 20.601 1.472 9.622 212 H GLY 31 HN GLY 31 17.234 -1.274 9.798 213 1HA GLY 31 HA2 GLY 31 17.396 -2.729 11.665 214 2HA GLY 31 HA1 GLY 31 18.707 -1.738 12.295 215 H GLU 32 HN GLU 32 16.645 0.516 11.344 216 HA GLU 32 HA GLU 32 15.033 0.452 13.804 217 1HB GLU 32 HB2 GLU 32 15.316 2.897 13.956 218 2HB GLU 32 HB1 GLU 32 16.838 2.033 14.117 219 1HG GLU 32 HG2 GLU 32 17.166 2.485 11.635 220 2HG GLU 32 HG1 GLU 32 15.840 3.637 11.793 221 H GLU 33 HN GLU 33 12.987 0.227 13.210 222 HA GLU 33 HA GLU 33 11.978 0.826 10.661 223 1HB GLU 33 HB2 GLU 33 9.751 0.417 11.691 224 2HB GLU 33 HB1 GLU 33 10.910 -0.865 12.006 225 1HG GLU 33 HG2 GLU 33 10.835 -0.552 14.211 226 2HG GLU 33 HG1 GLU 33 10.882 1.203 14.061 227 H PHE 34 HN PHE 34 11.724 2.772 9.836 228 HA PHE 34 HA PHE 34 11.501 5.078 11.521 229 1HB PHE 34 HB2 PHE 34 11.863 6.336 9.553 230 2HB PHE 34 HB1 PHE 34 12.908 4.929 9.458 231 HD1 PHE 34 HD1 PHE 34 10.540 3.027 8.610 232 HD2 PHE 34 HD2 PHE 34 11.961 6.794 7.219 233 HE1 PHE 34 HE1 PHE 34 9.640 2.539 6.378 234 HE2 PHE 34 HE2 PHE 34 11.057 6.309 4.982 235 HZ PHE 34 HZ PHE 34 9.897 4.184 4.562 236 H GLU 35 HN GLU 35 9.918 6.253 9.139 237 HA GLU 35 HA GLU 35 7.421 6.392 10.497 238 1HB GLU 35 HB2 GLU 35 8.234 7.314 7.733 239 2HB GLU 35 HB1 GLU 35 6.697 7.692 8.499 240 1HG GLU 35 HG2 GLU 35 8.971 8.373 10.168 241 2HG GLU 35 HG1 GLU 35 8.995 9.198 8.611 242 H GLY 36 HN GLY 36 8.445 4.987 7.398 243 1HA GLY 36 HA2 GLY 36 5.894 3.704 6.991 244 2HA GLY 36 HA1 GLY 36 7.309 3.565 5.962 245 H GLY 37 HN GLY 37 7.826 2.935 9.305 246 1HA GLY 37 HA2 GLY 37 8.762 0.352 8.875 247 2HA GLY 37 HA1 GLY 37 8.327 1.017 10.439 248 H LYS 38 HN LYS 38 5.537 1.390 8.937 249 HA LYS 38 HA LYS 38 4.652 -1.364 8.916 250 1HB LYS 38 HB2 LYS 38 2.918 -1.052 10.595 251 2HB LYS 38 HB1 LYS 38 4.508 -0.774 11.290 252 1HG LYS 38 HG2 LYS 38 3.176 1.634 10.273 253 2HG LYS 38 HG1 LYS 38 2.367 0.847 11.625 254 1HD LYS 38 HD2 LYS 38 3.792 1.975 12.927 255 2HD LYS 38 HD1 LYS 38 5.007 0.814 12.390 256 1HE LYS 38 HE2 LYS 38 6.091 2.346 11.170 257 2HE LYS 38 HE1 LYS 38 4.595 3.004 10.509 258 1HZ LYS 38 HZ1 LYS 38 4.289 4.214 12.611 259 2HZ LYS 38 HZ2 LYS 38 5.709 4.667 11.812 260 3HZ LYS 38 HZ3 LYS 38 5.785 3.641 13.155 261 H ALA 39 HN ALA 39 3.228 -1.641 7.359 262 HA ALA 39 HA ALA 39 1.490 0.586 6.563 263 1HB ALA 39 HB1 ALA 39 1.872 -0.483 4.161 264 2HB ALA 39 HB2 ALA 39 3.433 -0.900 4.877 265 3HB ALA 39 HB3 ALA 39 2.921 0.786 4.798 266 H SER 40 HN SER 40 -0.546 -0.012 5.850 267 HA SER 40 HA SER 40 -1.186 -2.869 6.150 268 1HB SER 40 HB2 SER 40 -2.363 -0.521 7.354 269 2HB SER 40 HB1 SER 40 -3.571 -1.409 6.425 270 HG SER 40 HG SER 40 -1.982 -2.321 8.576 271 H ASP 41 HN ASP 41 -2.466 0.070 4.567 272 HA ASP 41 HA ASP 41 -3.292 -1.573 2.314 273 1HB ASP 41 HB2 ASP 41 -4.184 1.190 3.186 274 2HB ASP 41 HB1 ASP 41 -4.699 0.401 1.697 275 H PHE 42 HN PHE 42 -0.905 -1.573 1.828 276 HA PHE 42 HA PHE 42 0.077 0.985 0.810 277 1HB PHE 42 HB2 PHE 42 1.595 -0.443 2.185 278 2HB PHE 42 HB1 PHE 42 1.514 -1.679 0.933 279 HD1 PHE 42 HD1 PHE 42 3.606 -1.798 -0.042 280 HD2 PHE 42 HD2 PHE 42 1.893 2.023 0.703 281 HE1 PHE 42 HE1 PHE 42 5.475 -0.737 -1.227 282 HE2 PHE 42 HE2 PHE 42 3.768 3.094 -0.479 283 HZ PHE 42 HZ PHE 42 5.562 1.713 -1.445 284 H VAL 43 HN VAL 43 -0.816 1.436 -1.120 285 HA VAL 43 HA VAL 43 -1.386 -0.612 -3.038 286 HB VAL 43 HB VAL 43 -2.845 1.314 -2.750 287 1HG1 VAL 43 1HG1 VAL 43 -1.620 3.397 -4.102 288 2HG1 VAL 43 2HG1 VAL 43 -0.381 2.793 -3.003 289 3HG1 VAL 43 3HG1 VAL 43 -1.946 3.300 -2.373 290 1HG2 VAL 43 1HG2 VAL 43 -2.250 2.062 -5.403 291 2HG2 VAL 43 2HG2 VAL 43 -3.443 0.889 -4.847 292 3HG2 VAL 43 3HG2 VAL 43 -1.807 0.362 -5.238 293 H LEU 44 HN LEU 44 0.430 -1.537 -3.838 294 HA LEU 44 HA LEU 44 2.646 0.114 -4.726 295 1HB LEU 44 HB2 LEU 44 2.398 -2.497 -3.742 296 2HB LEU 44 HB1 LEU 44 2.871 -2.681 -5.420 297 HG LEU 44 HG LEU 44 4.368 -1.278 -3.220 298 1HD1 LEU 44 1HD1 LEU 44 4.618 -3.780 -4.732 299 2HD1 LEU 44 2HD1 LEU 44 5.190 -3.363 -3.116 300 3HD1 LEU 44 3HD1 LEU 44 6.108 -2.863 -4.535 301 1HD2 LEU 44 1HD2 LEU 44 6.047 -0.782 -5.061 302 2HD2 LEU 44 2HD2 LEU 44 4.603 0.229 -5.012 303 3HD2 LEU 44 3HD2 LEU 44 4.730 -1.071 -6.197 304 H ALA 45 HN ALA 45 3.240 0.453 -6.793 305 HA ALA 45 HA ALA 45 1.300 -0.313 -8.858 306 1HB ALA 45 HB1 ALA 45 3.449 1.761 -9.165 307 2HB ALA 45 HB2 ALA 45 1.903 2.124 -8.400 308 3HB ALA 45 HB3 ALA 45 1.950 1.582 -10.077 309 H MET 46 HN MET 46 1.905 -2.198 -9.787 310 HA MET 46 HA MET 46 4.608 -3.037 -10.047 311 1HB MET 46 HB2 MET 46 1.962 -4.051 -10.853 312 2HB MET 46 HB1 MET 46 3.315 -4.608 -11.821 313 1HG MET 46 HG2 MET 46 3.637 -4.729 -8.891 314 2HG MET 46 HG1 MET 46 2.488 -5.848 -9.615 315 1HE MET 46 HE1 MET 46 6.502 -4.796 -9.881 316 2HE MET 46 HE2 MET 46 6.805 -6.379 -9.171 317 3HE MET 46 HE3 MET 46 5.683 -5.267 -8.391 318 H GLY 47 HN GLY 47 5.562 -1.241 -11.081 319 1HA GLY 47 HA2 GLY 47 6.710 -0.781 -13.131 320 2HA GLY 47 HA1 GLY 47 5.312 -1.382 -14.009 321 H GLN 48 HN GLN 48 6.118 1.191 -11.684 322 HA GLN 48 HA GLN 48 4.485 3.033 -13.306 323 1HB GLN 48 HB2 GLN 48 3.488 2.562 -11.094 324 2HB GLN 48 HB1 GLN 48 4.961 3.125 -10.320 325 1HG GLN 48 HG2 GLN 48 4.111 5.170 -12.068 326 2HG GLN 48 HG1 GLN 48 2.694 4.618 -11.176 327 1HE2 GLN 48 1HE2 GLN 48 4.926 6.898 -11.147 328 2HE2 GLN 48 2HE2 GLN 48 5.121 7.158 -9.451 329 H GLY 49 HN GLY 49 6.910 3.318 -10.709 330 1HA GLY 49 HA2 GLY 49 8.235 5.420 -12.277 331 2HA GLY 49 HA1 GLY 49 8.434 5.147 -10.551 332 H ARG 50 HN ARG 50 9.099 2.599 -10.291 333 HA ARG 50 HA ARG 50 10.832 1.419 -12.109 334 1HB ARG 50 HB2 ARG 50 13.037 1.995 -11.235 335 2HB ARG 50 HB1 ARG 50 12.223 3.426 -11.845 336 1HG ARG 50 HG2 ARG 50 12.424 4.440 -9.887 337 2HG ARG 50 HG1 ARG 50 11.646 3.092 -9.057 338 1HD ARG 50 HD2 ARG 50 13.949 3.608 -8.250 339 2HD ARG 50 HD1 ARG 50 13.729 1.952 -8.809 340 HE ARG 50 HE ARG 50 15.227 4.066 -10.183 341 1HH1 ARG 50 1HH1 ARG 50 14.247 0.712 -9.989 342 2HH1 ARG 50 2HH1 ARG 50 15.448 0.175 -11.113 343 1HH2 ARG 50 1HH2 ARG 50 16.794 3.348 -11.663 344 2HH2 ARG 50 2HH2 ARG 50 16.890 1.665 -12.060 345 H MET 51 HN MET 51 9.216 0.031 -10.844 346 HA MET 51 HA MET 51 9.420 -0.701 -8.221 347 1HB MET 51 HB2 MET 51 7.907 -1.594 -10.171 348 2HB MET 51 HB1 MET 51 9.126 -2.857 -10.275 349 1HG MET 51 HG2 MET 51 7.913 -3.920 -8.747 350 2HG MET 51 HG1 MET 51 8.602 -2.779 -7.595 351 1HE MET 51 HE1 MET 51 7.440 -0.159 -8.411 352 2HE MET 51 HE2 MET 51 7.102 -0.485 -6.711 353 3HE MET 51 HE3 MET 51 5.805 0.045 -7.783 354 H ILE 52 HN ILE 52 11.137 -1.190 -7.058 355 HA ILE 52 HA ILE 52 13.581 -2.147 -8.156 356 HB ILE 52 HB ILE 52 14.012 -2.654 -5.585 357 1HG1 ILE 52 2HG1 ILE 52 11.827 -0.569 -5.436 358 2HG1 ILE 52 1HG1 ILE 52 11.588 -2.264 -5.022 359 1HG2 ILE 52 1HG2 ILE 52 14.622 -0.223 -5.324 360 2HG2 ILE 52 2HG2 ILE 52 13.885 0.044 -6.904 361 3HG2 ILE 52 3HG2 ILE 52 15.274 -1.031 -6.750 362 1HD1 ILE 52 1HD1 ILE 52 13.820 -0.875 -3.687 363 2HD1 ILE 52 2HD1 ILE 52 12.689 -2.074 -3.065 364 3HD1 ILE 52 3HD1 ILE 52 12.188 -0.392 -3.231 365 HA PRO 53 HA PRO 53 13.191 -6.531 -8.093 366 1HB PRO 53 HB2 PRO 53 15.425 -7.346 -6.710 367 2HB PRO 53 HB1 PRO 53 15.435 -6.843 -8.404 368 1HG PRO 53 HG2 PRO 53 16.142 -5.275 -5.956 369 2HG PRO 53 HG1 PRO 53 16.962 -5.326 -7.529 370 1HD PRO 53 HD2 PRO 53 15.351 -3.291 -6.859 371 2HD PRO 53 HD1 PRO 53 15.407 -3.913 -8.522 372 H GLY 54 HN GLY 54 13.550 -4.818 -5.101 373 1HA GLY 54 HA2 GLY 54 13.090 -6.979 -3.317 374 2HA GLY 54 HA1 GLY 54 12.881 -5.272 -2.957 375 H PHE 55 HN PHE 55 10.892 -4.316 -4.184 376 HA PHE 55 HA PHE 55 8.608 -5.633 -3.158 377 1HB PHE 55 HB2 PHE 55 9.042 -3.221 -4.899 378 2HB PHE 55 HB1 PHE 55 7.424 -3.857 -4.669 379 HD1 PHE 55 HD1 PHE 55 6.915 -4.326 -2.020 380 HD2 PHE 55 HD2 PHE 55 9.610 -1.446 -3.607 381 HE1 PHE 55 HE1 PHE 55 6.697 -3.010 0.030 382 HE2 PHE 55 HE2 PHE 55 9.396 -0.114 -1.551 383 HZ PHE 55 HZ PHE 55 7.936 -0.894 0.273 384 H GLU 56 HN GLU 56 9.982 -5.228 -6.379 385 HA GLU 56 HA GLU 56 7.934 -6.385 -7.866 386 1HB GLU 56 HB2 GLU 56 10.115 -5.151 -8.602 387 2HB GLU 56 HB1 GLU 56 10.805 -6.767 -8.630 388 1HG GLU 56 HG2 GLU 56 9.137 -7.473 -10.245 389 2HG GLU 56 HG1 GLU 56 8.383 -5.880 -10.182 390 H ASP 57 HN ASP 57 10.137 -7.838 -5.689 391 HA ASP 57 HA ASP 57 10.037 -10.462 -6.861 392 1HB ASP 57 HB2 ASP 57 11.918 -9.528 -5.390 393 2HB ASP 57 HB1 ASP 57 10.856 -9.847 -4.025 394 H GLY 58 HN GLY 58 9.066 -9.508 -3.539 395 1HA GLY 58 HA2 GLY 58 7.241 -11.673 -3.366 396 2HA GLY 58 HA1 GLY 58 7.385 -10.350 -2.222 397 H ILE 59 HN ILE 59 6.708 -8.183 -3.684 398 HA ILE 59 HA ILE 59 3.872 -8.476 -3.938 399 HB ILE 59 HB ILE 59 5.589 -6.036 -4.483 400 1HG1 ILE 59 2HG1 ILE 59 4.938 -5.516 -2.049 401 2HG1 ILE 59 1HG1 ILE 59 4.670 -7.230 -1.880 402 1HG2 ILE 59 1HG2 ILE 59 3.486 -5.441 -5.153 403 2HG2 ILE 59 2HG2 ILE 59 3.391 -5.022 -3.444 404 3HG2 ILE 59 3HG2 ILE 59 2.688 -6.534 -4.021 405 1HD1 ILE 59 1HD1 ILE 59 6.994 -5.950 -1.384 406 2HD1 ILE 59 2HD1 ILE 59 7.235 -6.468 -3.045 407 3HD1 ILE 59 3HD1 ILE 59 6.866 -7.656 -1.803 408 H LYS 60 HN LYS 60 5.319 -9.889 -5.796 409 HA LYS 60 HA LYS 60 5.522 -8.735 -8.364 410 1HB LYS 60 HB2 LYS 60 4.762 -11.061 -9.231 411 2HB LYS 60 HB1 LYS 60 6.269 -10.963 -8.337 412 1HG LYS 60 HG2 LYS 60 4.506 -11.481 -6.337 413 2HG LYS 60 HG1 LYS 60 3.771 -12.347 -7.687 414 1HD LYS 60 HD2 LYS 60 6.679 -12.624 -6.964 415 2HD LYS 60 HD1 LYS 60 5.425 -13.654 -6.279 416 1HE LYS 60 HE2 LYS 60 5.917 -14.966 -8.046 417 2HE LYS 60 HE1 LYS 60 4.833 -13.867 -8.897 418 1HZ LYS 60 HZ1 LYS 60 7.712 -13.267 -8.718 419 2HZ LYS 60 HZ2 LYS 60 6.588 -12.760 -9.876 420 3HZ LYS 60 HZ3 LYS 60 7.143 -14.358 -9.881 421 H GLY 61 HN GLY 61 2.823 -10.321 -6.785 422 1HA GLY 61 HA2 GLY 61 0.631 -9.232 -6.674 423 2HA GLY 61 HA1 GLY 61 0.931 -8.656 -8.311 424 H HIS 62 HN HIS 62 1.409 -11.761 -6.763 425 HA HIS 62 HA HIS 62 -0.401 -12.968 -8.776 426 1HB HIS 62 HB2 HIS 62 1.042 -14.851 -9.008 427 2HB HIS 62 HB1 HIS 62 2.038 -13.412 -9.177 428 HD2 HIS 62 HD2 HIS 62 2.277 -13.109 -5.751 429 HE1 HIS 62 HE1 HIS 62 4.475 -16.700 -6.270 430 HE2 HIS 62 HE2 HIS 62 4.044 -14.719 -4.773 431 H LYS 63 HN LYS 63 0.358 -12.701 -5.442 432 HA LYS 63 HA LYS 63 -1.529 -14.891 -4.876 433 1HB LYS 63 HB2 LYS 63 1.003 -14.087 -3.511 434 2HB LYS 63 HB1 LYS 63 -0.290 -14.800 -2.557 435 1HG LYS 63 HG2 LYS 63 0.620 -16.160 -5.048 436 2HG LYS 63 HG1 LYS 63 1.570 -16.304 -3.567 437 1HD LYS 63 HD2 LYS 63 -0.420 -17.128 -2.389 438 2HD LYS 63 HD1 LYS 63 -1.345 -17.014 -3.887 439 1HE LYS 63 HE2 LYS 63 -0.697 -19.280 -3.680 440 2HE LYS 63 HE1 LYS 63 0.350 -18.577 -4.911 441 1HZ LYS 63 HZ1 LYS 63 2.129 -19.068 -3.707 442 2HZ LYS 63 HZ2 LYS 63 1.134 -19.934 -2.649 443 3HZ LYS 63 HZ3 LYS 63 1.501 -18.316 -2.327 444 H ALA 64 HN ALA 64 -3.298 -13.439 -4.962 445 HA ALA 64 HA ALA 64 -3.518 -11.073 -3.477 446 1HB ALA 64 HB1 ALA 64 -6.006 -12.586 -3.776 447 2HB ALA 64 HB2 ALA 64 -5.098 -12.390 -5.276 448 3HB ALA 64 HB3 ALA 64 -5.587 -10.971 -4.349 449 H GLY 65 HN GLY 65 -2.890 -11.197 -1.347 450 1HA GLY 65 HA2 GLY 65 -3.736 -11.407 0.891 451 2HA GLY 65 HA1 GLY 65 -4.604 -12.847 0.385 452 H GLU 66 HN GLU 66 -1.217 -12.076 -0.257 453 HA GLU 66 HA GLU 66 -0.459 -14.590 1.027 454 1HB GLU 66 HB2 GLU 66 0.254 -13.542 -1.370 455 2HB GLU 66 HB1 GLU 66 1.592 -12.996 -0.372 456 1HG GLU 66 HG2 GLU 66 1.466 -15.567 0.393 457 2HG GLU 66 HG1 GLU 66 0.879 -15.708 -1.264 458 H GLU 67 HN GLU 67 1.669 -14.629 2.145 459 HA GLU 67 HA GLU 67 2.289 -12.162 3.608 460 1HB GLU 67 HB2 GLU 67 2.537 -13.538 5.698 461 2HB GLU 67 HB1 GLU 67 0.882 -13.354 5.138 462 1HG GLU 67 HG2 GLU 67 1.824 -15.681 3.917 463 2HG GLU 67 HG1 GLU 67 2.409 -15.743 5.578 464 H PHE 68 HN PHE 68 4.255 -11.804 2.717 465 HA PHE 68 HA PHE 68 6.281 -13.926 3.038 466 1HB PHE 68 HB2 PHE 68 7.254 -13.149 0.848 467 2HB PHE 68 HB1 PHE 68 5.691 -13.960 0.716 468 HD1 PHE 68 HD1 PHE 68 3.738 -12.788 0.028 469 HD2 PHE 68 HD2 PHE 68 7.420 -10.738 0.579 470 HE1 PHE 68 HE1 PHE 68 2.795 -10.809 -1.086 471 HE2 PHE 68 HE2 PHE 68 6.481 -8.753 -0.545 472 HZ PHE 68 HZ PHE 68 4.165 -8.796 -1.379 473 H THR 69 HN THR 69 8.540 -13.047 2.798 474 HA THR 69 HA THR 69 8.734 -10.315 3.873 475 HB THR 69 HB THR 69 10.497 -12.636 4.670 476 HG1 THR 69 HG1 THR 69 8.331 -12.850 5.443 477 1HG2 THR 69 1HG2 THR 69 10.915 -11.058 6.648 478 2HG2 THR 69 2HG2 THR 69 10.315 -9.794 5.574 479 3HG2 THR 69 3HG2 THR 69 11.737 -10.735 5.123 480 H ILE 70 HN ILE 70 9.775 -9.050 2.489 481 HA ILE 70 HA ILE 70 12.089 -10.144 1.039 482 HB ILE 70 HB ILE 70 11.510 -9.056 -0.989 483 1HG1 ILE 70 2HG1 ILE 70 10.564 -6.989 -0.020 484 2HG1 ILE 70 1HG1 ILE 70 9.531 -7.654 -1.279 485 1HG2 ILE 70 1HG2 ILE 70 10.404 -11.005 -1.208 486 2HG2 ILE 70 2HG2 ILE 70 8.993 -9.948 -1.197 487 3HG2 ILE 70 3HG2 ILE 70 9.483 -10.777 0.278 488 1HD1 ILE 70 1HD1 ILE 70 9.064 -7.411 1.636 489 2HD1 ILE 70 2HD1 ILE 70 8.364 -8.798 0.798 490 3HD1 ILE 70 3HD1 ILE 70 7.965 -7.160 0.276 491 H ASP 71 HN ASP 71 13.525 -8.403 0.153 492 HA ASP 71 HA ASP 71 13.768 -6.263 2.132 493 1HB ASP 71 HB2 ASP 71 15.658 -7.824 0.508 494 2HB ASP 71 HB1 ASP 71 15.997 -6.098 0.524 495 H VAL 72 HN VAL 72 14.101 -4.067 1.406 496 HA VAL 72 HA VAL 72 13.625 -3.527 -1.404 497 HB VAL 72 HB VAL 72 11.747 -2.710 0.741 498 1HG1 VAL 72 1HG1 VAL 72 11.212 -0.740 -0.159 499 2HG1 VAL 72 2HG1 VAL 72 11.204 -1.415 -1.786 500 3HG1 VAL 72 3HG1 VAL 72 12.713 -0.865 -1.070 501 1HG2 VAL 72 1HG2 VAL 72 11.281 -3.768 -2.025 502 2HG2 VAL 72 2HG2 VAL 72 10.045 -3.460 -0.803 503 3HG2 VAL 72 3HG2 VAL 72 11.251 -4.723 -0.542 504 H THR 73 HN THR 73 14.731 -1.718 -2.105 505 HA THR 73 HA THR 73 15.545 0.290 -0.181 506 HB THR 73 HB THR 73 17.446 -1.506 -1.683 507 HG1 THR 73 HG1 THR 73 17.644 -2.149 0.299 508 1HG2 THR 73 1HG2 THR 73 18.295 0.565 -2.358 509 2HG2 THR 73 2HG2 THR 73 19.248 0.120 -0.941 510 3HG2 THR 73 3HG2 THR 73 17.952 1.311 -0.796 511 H PHE 74 HN PHE 74 15.246 2.227 -1.137 512 HA PHE 74 HA PHE 74 14.628 2.287 -3.956 513 1HB PHE 74 HB2 PHE 74 14.500 4.342 -1.767 514 2HB PHE 74 HB1 PHE 74 14.140 4.722 -3.447 515 HD1 PHE 74 HD1 PHE 74 13.242 2.065 -0.971 516 HD2 PHE 74 HD2 PHE 74 11.937 4.740 -3.996 517 HE1 PHE 74 HE1 PHE 74 10.927 1.280 -0.661 518 HE2 PHE 74 HE2 PHE 74 9.621 3.971 -3.701 519 HZ PHE 74 HZ PHE 74 9.112 2.243 -2.027 520 HA PRO 75 HA PRO 75 18.764 3.434 -5.146 521 1HB PRO 75 HB2 PRO 75 18.167 4.301 -7.667 522 2HB PRO 75 HB1 PRO 75 18.332 2.598 -7.230 523 1HG PRO 75 HG2 PRO 75 15.850 4.243 -7.540 524 2HG PRO 75 HG1 PRO 75 16.169 2.584 -8.080 525 1HD PRO 75 HD2 PRO 75 14.746 3.112 -5.861 526 2HD PRO 75 HD1 PRO 75 15.814 1.697 -5.978 527 H GLU 76 HN GLU 76 19.820 5.367 -6.266 528 HA GLU 76 HA GLU 76 19.081 7.732 -4.849 529 1HB GLU 76 HB2 GLU 76 21.423 6.786 -5.833 530 2HB GLU 76 HB1 GLU 76 21.011 7.962 -7.074 531 1HG GLU 76 HG2 GLU 76 20.615 9.538 -5.026 532 2HG GLU 76 HG1 GLU 76 21.664 8.386 -4.202 533 H GLU 77 HN GLU 77 18.003 6.397 -7.732 534 HA GLU 77 HA GLU 77 17.517 8.908 -9.095 535 1HB GLU 77 HB2 GLU 77 16.321 6.288 -9.933 536 2HB GLU 77 HB1 GLU 77 16.833 7.643 -10.930 537 1HG GLU 77 HG2 GLU 77 19.202 7.080 -10.221 538 2HG GLU 77 HG1 GLU 77 18.541 5.575 -9.583 539 H TYR 78 HN TYR 78 15.731 6.496 -7.263 540 HA TYR 78 HA TYR 78 13.128 7.459 -7.779 541 1HB TYR 78 HB2 TYR 78 13.945 5.242 -6.653 542 2HB TYR 78 HB1 TYR 78 13.879 6.177 -5.168 543 HD1 TYR 78 HD1 TYR 78 12.061 4.176 -7.425 544 HD2 TYR 78 HD2 TYR 78 11.609 7.369 -4.643 545 HE1 TYR 78 HE1 TYR 78 9.661 3.686 -7.263 546 HE2 TYR 78 HE2 TYR 78 9.206 6.890 -4.483 547 HH TYR 78 HH TYR 78 7.441 5.721 -6.133 548 H HIS 79 HN HIS 79 14.891 7.695 -4.719 549 HA HIS 79 HA HIS 79 14.588 9.132 -2.972 550 1HB HIS 79 HB2 HIS 79 15.606 10.677 -5.308 551 2HB HIS 79 HB1 HIS 79 15.324 11.503 -3.777 552 HD2 HIS 79 HD2 HIS 79 16.632 7.926 -3.350 553 HE1 HIS 79 HE1 HIS 79 19.942 10.537 -2.860 554 HE2 HIS 79 HE2 HIS 79 19.130 8.156 -2.719 555 H ALA 80 HN ALA 80 12.209 8.788 -2.887 556 HA ALA 80 HA ALA 80 10.522 10.877 -3.948 557 1HB ALA 80 HB1 ALA 80 10.062 8.280 -3.221 558 2HB ALA 80 HB2 ALA 80 8.812 9.495 -3.498 559 3HB ALA 80 HB3 ALA 80 9.380 9.173 -1.861 560 H GLU 81 HN GLU 81 9.339 12.371 -2.682 561 HA GLU 81 HA GLU 81 10.775 13.787 -0.807 562 1HB GLU 81 HB2 GLU 81 7.768 13.709 -1.035 563 2HB GLU 81 HB1 GLU 81 8.724 14.995 -0.315 564 1HG GLU 81 HG2 GLU 81 9.474 15.764 -2.356 565 2HG GLU 81 HG1 GLU 81 9.165 14.229 -3.166 566 H ASN 82 HN ASN 82 8.596 11.082 -0.215 567 HA ASN 82 HA ASN 82 8.679 11.608 2.648 568 1HB ASN 82 HB2 ASN 82 7.091 9.646 2.760 569 2HB ASN 82 HB1 ASN 82 6.518 11.061 1.882 570 1HD2 ASN 82 1HD2 ASN 82 8.133 7.957 1.401 571 2HD2 ASN 82 2HD2 ASN 82 7.415 7.620 -0.133 572 H LEU 83 HN LEU 83 9.891 9.126 0.410 573 HA LEU 83 HA LEU 83 11.401 8.045 2.692 574 1HB LEU 83 HB2 LEU 83 10.895 5.837 2.214 575 2HB LEU 83 HB1 LEU 83 9.369 6.673 2.048 576 HG LEU 83 HG LEU 83 9.230 5.347 0.215 577 1HD1 LEU 83 1HD1 LEU 83 11.056 7.229 -1.215 578 2HD1 LEU 83 2HD1 LEU 83 9.524 7.800 -0.555 579 3HD1 LEU 83 3HD1 LEU 83 9.538 6.504 -1.745 580 1HD2 LEU 83 1HD2 LEU 83 12.211 5.459 -0.116 581 2HD2 LEU 83 2HD2 LEU 83 11.089 4.456 -1.016 582 3HD2 LEU 83 3HD2 LEU 83 11.309 4.187 0.705 583 H LYS 84 HN LYS 84 12.001 9.743 0.220 584 HA LYS 84 HA LYS 84 13.464 8.702 -1.726 585 1HB LYS 84 HB2 LYS 84 15.176 10.566 -1.357 586 2HB LYS 84 HB1 LYS 84 13.502 11.037 -1.586 587 1HG LYS 84 HG2 LYS 84 13.222 11.415 0.763 588 2HG LYS 84 HG1 LYS 84 14.828 10.763 1.098 589 1HD LYS 84 HD2 LYS 84 15.800 12.591 -0.270 590 2HD LYS 84 HD1 LYS 84 14.181 13.270 -0.451 591 1HE LYS 84 HE2 LYS 84 14.862 12.715 2.321 592 2HE LYS 84 HE1 LYS 84 15.983 13.845 1.561 593 1HZ LYS 84 HZ1 LYS 84 13.852 15.004 0.761 594 2HZ LYS 84 HZ2 LYS 84 14.321 15.207 2.374 595 3HZ LYS 84 HZ3 LYS 84 13.080 14.127 1.985 596 H GLY 85 HN GLY 85 15.087 7.371 -2.066 597 1HA GLY 85 HA2 GLY 85 16.751 5.849 -1.631 598 2HA GLY 85 HA1 GLY 85 17.504 7.199 -0.798 599 H LYS 86 HN LYS 86 14.745 5.014 -0.110 600 HA LYS 86 HA LYS 86 15.735 4.788 2.632 601 1HB LYS 86 HB2 LYS 86 13.355 5.411 2.245 602 2HB LYS 86 HB1 LYS 86 13.108 3.839 1.497 603 1HG LYS 86 HG2 LYS 86 14.317 3.524 4.079 604 2HG LYS 86 HG1 LYS 86 12.861 4.511 4.202 605 1HD LYS 86 HD2 LYS 86 13.090 1.756 2.987 606 2HD LYS 86 HD1 LYS 86 12.279 2.183 4.495 607 1HE LYS 86 HE2 LYS 86 11.049 3.842 2.716 608 2HE LYS 86 HE1 LYS 86 11.361 2.424 1.718 609 1HZ LYS 86 HZ1 LYS 86 9.708 1.356 2.703 610 2HZ LYS 86 HZ2 LYS 86 9.306 2.772 3.531 611 3HZ LYS 86 HZ3 LYS 86 10.345 1.645 4.244 612 H ALA 87 HN ALA 87 17.456 3.336 2.246 613 HA ALA 87 HA ALA 87 16.980 0.760 1.059 614 1HB ALA 87 HB1 ALA 87 19.207 0.985 0.858 615 2HB ALA 87 HB2 ALA 87 19.304 0.552 2.564 616 3HB ALA 87 HB3 ALA 87 19.262 2.249 2.086 617 H ALA 88 HN ALA 88 15.266 -0.148 2.233 618 HA ALA 88 HA ALA 88 15.920 -0.805 5.027 619 1HB ALA 88 HB1 ALA 88 13.617 -0.465 5.657 620 2HB ALA 88 HB2 ALA 88 13.183 -0.132 3.979 621 3HB ALA 88 HB3 ALA 88 14.232 0.978 4.853 622 H LYS 89 HN LYS 89 14.030 -2.347 5.801 623 HA LYS 89 HA LYS 89 13.757 -4.584 3.911 624 1HB LYS 89 HB2 LYS 89 14.699 -4.765 6.785 625 2HB LYS 89 HB1 LYS 89 14.228 -6.151 5.811 626 1HG LYS 89 HG2 LYS 89 16.521 -6.168 5.612 627 2HG LYS 89 HG1 LYS 89 16.032 -5.289 4.163 628 1HD LYS 89 HD2 LYS 89 17.502 -3.735 4.832 629 2HD LYS 89 HD1 LYS 89 16.267 -3.280 6.007 630 1HE LYS 89 HE2 LYS 89 17.275 -4.713 7.675 631 2HE LYS 89 HE1 LYS 89 18.454 -5.296 6.501 632 1HZ LYS 89 HZ1 LYS 89 19.678 -3.424 6.668 633 2HZ LYS 89 HZ2 LYS 89 18.951 -3.325 8.191 634 3HZ LYS 89 HZ3 LYS 89 18.340 -2.415 6.904 635 H PHE 90 HN PHE 90 11.756 -5.668 4.082 636 HA PHE 90 HA PHE 90 10.059 -4.972 6.329 637 1HB PHE 90 HB2 PHE 90 8.648 -4.920 3.732 638 2HB PHE 90 HB1 PHE 90 8.326 -4.024 5.209 639 HD1 PHE 90 HD1 PHE 90 8.988 -3.591 1.963 640 HD2 PHE 90 HD2 PHE 90 10.549 -2.401 5.724 641 HE1 PHE 90 HE1 PHE 90 9.923 -1.566 0.927 642 HE2 PHE 90 HE2 PHE 90 11.488 -0.373 4.706 643 HZ PHE 90 HZ PHE 90 11.177 0.049 2.298 644 H ALA 91 HN ALA 91 8.033 -6.293 6.349 645 HA ALA 91 HA ALA 91 8.338 -8.872 4.989 646 1HB ALA 91 HB1 ALA 91 8.062 -10.036 6.929 647 2HB ALA 91 HB2 ALA 91 6.907 -8.866 7.570 648 3HB ALA 91 HB3 ALA 91 8.638 -8.558 7.700 649 H ILE 92 HN ILE 92 6.870 -8.592 3.460 650 HA ILE 92 HA ILE 92 4.483 -7.040 3.984 651 HB ILE 92 HB ILE 92 5.535 -8.175 1.405 652 1HG1 ILE 92 2HG1 ILE 92 6.113 -5.644 2.898 653 2HG1 ILE 92 1HG1 ILE 92 7.222 -6.744 2.117 654 1HG2 ILE 92 1HG2 ILE 92 4.143 -6.347 0.404 655 2HG2 ILE 92 2HG2 ILE 92 3.400 -6.150 1.990 656 3HG2 ILE 92 3HG2 ILE 92 3.249 -7.682 1.127 657 1HD1 ILE 92 1HD1 ILE 92 5.831 -4.417 1.067 658 2HD1 ILE 92 2HD1 ILE 92 5.762 -5.826 0.012 659 3HD1 ILE 92 3HD1 ILE 92 7.324 -5.187 0.530 660 H ASN 93 HN ASN 93 2.455 -7.579 3.045 661 HA ASN 93 HA ASN 93 1.812 -10.424 2.791 662 1HB ASN 93 HB2 ASN 93 1.299 -9.560 5.113 663 2HB ASN 93 HB1 ASN 93 0.160 -8.451 4.370 664 1HD2 ASN 93 1HD2 ASN 93 -1.622 -9.384 3.167 665 2HD2 ASN 93 2HD2 ASN 93 -2.262 -10.908 3.668 666 H LEU 94 HN LEU 94 1.253 -10.437 0.641 667 HA LEU 94 HA LEU 94 0.152 -8.237 -0.735 668 1HB LEU 94 HB2 LEU 94 1.415 -10.232 -1.685 669 2HB LEU 94 HB1 LEU 94 -0.107 -11.093 -1.620 670 HG LEU 94 HG LEU 94 -1.087 -9.338 -3.112 671 1HD1 LEU 94 1HD1 LEU 94 0.059 -7.419 -3.198 672 2HD1 LEU 94 2HD1 LEU 94 1.082 -8.246 -4.372 673 3HD1 LEU 94 3HD1 LEU 94 1.562 -8.182 -2.676 674 1HD2 LEU 94 1HD2 LEU 94 0.777 -11.424 -3.759 675 2HD2 LEU 94 2HD2 LEU 94 0.891 -10.122 -4.941 676 3HD2 LEU 94 3HD2 LEU 94 -0.661 -10.898 -4.632 677 H LYS 95 HN LYS 95 -1.913 -8.087 -1.831 678 HA LYS 95 HA LYS 95 -4.085 -9.678 -0.783 679 1HB LYS 95 HB2 LYS 95 -3.944 -6.705 -0.255 680 2HB LYS 95 HB1 LYS 95 -5.390 -7.677 -0.055 681 1HG LYS 95 HG2 LYS 95 -2.836 -8.263 1.407 682 2HG LYS 95 HG1 LYS 95 -4.071 -7.173 2.031 683 1HD LYS 95 HD2 LYS 95 -5.129 -9.742 1.121 684 2HD LYS 95 HD1 LYS 95 -3.978 -9.882 2.453 685 1HE LYS 95 HE2 LYS 95 -5.369 -8.895 3.927 686 2HE LYS 95 HE1 LYS 95 -5.976 -7.742 2.739 687 1HZ LYS 95 HZ1 LYS 95 -7.223 -9.705 1.768 688 2HZ LYS 95 HZ2 LYS 95 -7.779 -9.115 3.253 689 3HZ LYS 95 HZ3 LYS 95 -6.853 -10.528 3.199 690 H LYS 96 HN LYS 96 -5.186 -6.663 -1.801 691 HA LYS 96 HA LYS 96 -6.356 -7.771 -4.126 692 1HB LYS 96 HB2 LYS 96 -7.348 -5.970 -2.676 693 2HB LYS 96 HB1 LYS 96 -6.224 -4.844 -3.426 694 1HG LYS 96 HG2 LYS 96 -7.726 -4.505 -5.017 695 2HG LYS 96 HG1 LYS 96 -7.468 -6.168 -5.548 696 1HD LYS 96 HD2 LYS 96 -9.438 -5.346 -3.417 697 2HD LYS 96 HD1 LYS 96 -9.854 -5.601 -5.112 698 1HE LYS 96 HE2 LYS 96 -9.658 -7.861 -4.964 699 2HE LYS 96 HE1 LYS 96 -8.392 -7.780 -3.740 700 1HZ LYS 96 HZ1 LYS 96 -11.009 -6.842 -2.905 701 2HZ LYS 96 HZ2 LYS 96 -9.883 -7.791 -2.074 702 3HZ LYS 96 HZ3 LYS 96 -10.902 -8.500 -3.223 703 H VAL 97 HN VAL 97 -5.094 -8.315 -5.794 704 HA VAL 97 HA VAL 97 -3.243 -6.315 -6.884 705 HB VAL 97 HB VAL 97 -2.010 -8.270 -6.396 706 1HG1 VAL 97 1HG1 VAL 97 -3.212 -10.102 -5.940 707 2HG1 VAL 97 2HG1 VAL 97 -3.047 -10.461 -7.659 708 3HG1 VAL 97 3HG1 VAL 97 -4.494 -9.650 -7.065 709 1HG2 VAL 97 1HG2 VAL 97 -2.278 -7.415 -9.005 710 2HG2 VAL 97 2HG2 VAL 97 -2.424 -9.168 -9.131 711 3HG2 VAL 97 3HG2 VAL 97 -1.000 -8.452 -8.380 712 H GLU 98 HN GLU 98 -4.314 -5.175 -8.411 713 HA GLU 98 HA GLU 98 -5.746 -6.685 -10.492 714 1HB GLU 98 HB2 GLU 98 -6.678 -4.044 -9.358 715 2HB GLU 98 HB1 GLU 98 -7.506 -5.031 -10.558 716 1HG GLU 98 HG2 GLU 98 -8.070 -6.668 -8.980 717 2HG GLU 98 HG1 GLU 98 -6.908 -6.055 -7.804 718 H GLU 99 HN GLU 99 -6.022 -5.372 -12.552 719 HA GLU 99 HA GLU 99 -3.514 -3.997 -13.075 720 1HB GLU 99 HB2 GLU 99 -3.870 -4.379 -15.384 721 2HB GLU 99 HB1 GLU 99 -4.277 -5.861 -14.537 722 1HG GLU 99 HG2 GLU 99 -6.161 -5.858 -15.687 723 2HG GLU 99 HG1 GLU 99 -6.678 -4.510 -14.681 724 H ARG 100 HN ARG 100 -3.575 -1.924 -12.485 725 HA ARG 100 HA ARG 100 -5.869 -0.259 -12.961 726 1HB ARG 100 HB2 ARG 100 -4.515 1.536 -12.030 727 2HB ARG 100 HB1 ARG 100 -4.392 0.100 -11.022 728 1HG ARG 100 HG2 ARG 100 -2.191 -0.084 -11.345 729 2HG ARG 100 HG1 ARG 100 -2.324 0.255 -13.074 730 1HD ARG 100 HD2 ARG 100 -2.679 2.450 -11.071 731 2HD ARG 100 HD1 ARG 100 -1.063 1.921 -11.531 732 HE ARG 100 HE ARG 100 -2.767 2.529 -13.765 733 1HH1 ARG 100 1HH1 ARG 100 -0.534 3.838 -11.421 734 2HH1 ARG 100 2HH1 ARG 100 -0.103 5.196 -12.405 735 1HH2 ARG 100 1HH2 ARG 100 -2.196 4.326 -15.056 736 2HH2 ARG 100 2HH2 ARG 100 -1.045 5.473 -14.460 737 H GLU 101 HN GLU 101 -5.758 1.742 -14.228 738 HA GLU 101 HA GLU 101 -3.762 2.120 -16.214 739 1HB GLU 101 HB2 GLU 101 -5.250 0.077 -16.966 740 2HB GLU 101 HB1 GLU 101 -6.377 1.340 -17.437 741 1HG GLU 101 HG2 GLU 101 -5.211 1.832 -19.258 742 2HG GLU 101 HG1 GLU 101 -3.694 1.899 -18.361 743 H LEU 102 HN LEU 102 -4.083 4.141 -14.999 744 HA LEU 102 HA LEU 102 -6.501 5.626 -15.318 745 1HB LEU 102 HB2 LEU 102 -3.740 6.315 -14.347 746 2HB LEU 102 HB1 LEU 102 -4.990 7.535 -14.503 747 HG LEU 102 HG LEU 102 -6.343 6.481 -12.834 748 1HD1 LEU 102 1HD1 LEU 102 -5.450 4.411 -11.666 749 2HD1 LEU 102 2HD1 LEU 102 -4.382 4.216 -13.054 750 3HD1 LEU 102 3HD1 LEU 102 -6.130 4.179 -13.276 751 1HD2 LEU 102 1HD2 LEU 102 -4.694 7.880 -11.874 752 2HD2 LEU 102 2HD2 LEU 102 -3.439 6.657 -12.078 753 3HD2 LEU 102 3HD2 LEU 102 -4.726 6.412 -10.898 754 HA PRO 103 HA PRO 103 -6.091 7.536 -19.263 755 1HB PRO 103 HB2 PRO 103 -6.442 10.157 -17.896 756 2HB PRO 103 HB1 PRO 103 -7.347 9.461 -19.244 757 1HG PRO 103 HG2 PRO 103 -8.399 9.547 -16.799 758 2HG PRO 103 HG1 PRO 103 -8.660 8.148 -17.857 759 1HD PRO 103 HD2 PRO 103 -6.843 8.435 -15.507 760 2HD PRO 103 HD1 PRO 103 -7.780 7.028 -16.045 761 H GLU 104 HN GLU 104 -4.065 7.481 -20.051 762 HA GLU 104 HA GLU 104 -2.011 9.190 -18.857 763 1HB GLU 104 HB2 GLU 104 -2.019 6.659 -20.337 764 2HB GLU 104 HB1 GLU 104 -0.772 7.778 -20.868 765 1HG GLU 104 HG2 GLU 104 -0.151 8.001 -18.413 766 2HG GLU 104 HG1 GLU 104 -1.177 6.593 -18.144 767 H LEU 105 HN LEU 105 -1.028 10.837 -19.932 768 HA LEU 105 HA LEU 105 -2.202 11.575 -22.526 769 1HB LEU 105 HB2 LEU 105 -1.342 13.120 -20.149 770 2HB LEU 105 HB1 LEU 105 -1.042 13.857 -21.710 771 HG LEU 105 HG LEU 105 -3.771 12.799 -21.289 772 1HD1 LEU 105 1HD1 LEU 105 -2.745 15.227 -19.829 773 2HD1 LEU 105 2HD1 LEU 105 -3.394 13.753 -19.109 774 3HD1 LEU 105 3HD1 LEU 105 -4.448 14.818 -20.040 775 1HD2 LEU 105 1HD2 LEU 105 -4.384 14.543 -22.689 776 2HD2 LEU 105 2HD2 LEU 105 -2.786 14.102 -23.293 777 3HD2 LEU 105 3HD2 LEU 105 -2.979 15.517 -22.258 778 H THR 106 HN THR 106 -0.745 12.855 -23.958 779 HA THR 106 HA THR 106 2.093 12.250 -23.679 780 HB THR 106 HB THR 106 2.158 11.389 -26.038 781 HG1 THR 106 HG1 THR 106 -0.639 11.105 -25.697 782 1HG2 THR 106 1HG2 THR 106 1.120 9.149 -25.533 783 2HG2 THR 106 2HG2 THR 106 0.636 9.827 -23.979 784 3HG2 THR 106 3HG2 THR 106 2.346 9.714 -24.400 Start of MODEL 25 1 1H GLY 1 HT1 GLY 1 -5.235 21.308 2.469 2 2H GLY 1 HT2 GLY 1 -6.776 21.927 2.793 3 3H GLY 1 HT3 GLY 1 -5.496 22.979 2.446 4 1HA GLY 1 HA1 GLY 1 -6.350 22.987 0.387 5 2HA GLY 1 HA2 GLY 1 -5.444 21.488 0.252 6 H SER 2 HN SER 2 -7.597 21.906 -1.369 7 HA SER 2 HA SER 2 -10.051 20.946 -0.367 8 1HB SER 2 HB2 SER 2 -10.601 20.538 -2.778 9 2HB SER 2 HB1 SER 2 -9.999 22.163 -2.452 10 HG SER 2 HG SER 2 -9.090 20.643 -4.265 11 H HIS 3 HN HIS 3 -10.293 19.021 0.557 12 HA HIS 3 HA HIS 3 -8.621 16.786 0.000 13 1HB HIS 3 HB2 HIS 3 -10.203 15.547 1.473 14 2HB HIS 3 HB1 HIS 3 -9.592 17.029 2.200 15 HD2 HIS 3 HD2 HIS 3 -11.514 19.076 2.524 16 HE1 HIS 3 HE1 HIS 3 -14.835 16.607 1.582 17 HE2 HIS 3 HE2 HIS 3 -14.090 18.849 2.461 18 H MET 4 HN MET 4 -8.974 14.992 -1.230 19 HA MET 4 HA MET 4 -11.531 14.540 -2.502 20 1HB MET 4 HB2 MET 4 -9.081 15.300 -4.093 21 2HB MET 4 HB1 MET 4 -10.483 14.507 -4.798 22 1HG MET 4 HG2 MET 4 -11.827 16.467 -3.841 23 2HG MET 4 HG1 MET 4 -10.265 17.262 -3.647 24 1HE MET 4 HE1 MET 4 -11.694 19.156 -6.584 25 2HE MET 4 HE2 MET 4 -11.959 18.842 -4.870 26 3HE MET 4 HE3 MET 4 -12.988 18.073 -6.077 27 H GLN 5 HN GLN 5 -11.707 12.474 -3.474 28 HA GLN 5 HA GLN 5 -9.758 10.567 -2.430 29 1HB GLN 5 HB2 GLN 5 -11.460 8.865 -2.923 30 2HB GLN 5 HB1 GLN 5 -12.102 10.148 -1.908 31 1HG GLN 5 HG2 GLN 5 -13.140 11.167 -3.891 32 2HG GLN 5 HG1 GLN 5 -12.537 9.831 -4.869 33 1HE2 GLN 5 1HE2 GLN 5 -14.007 8.363 -5.283 34 2HE2 GLN 5 2HE2 GLN 5 -15.314 7.900 -4.251 35 H ALA 6 HN ALA 6 -8.731 9.023 -3.703 36 HA ALA 6 HA ALA 6 -8.158 9.858 -6.390 37 1HB ALA 6 HB1 ALA 6 -7.186 7.604 -4.663 38 2HB ALA 6 HB2 ALA 6 -6.306 9.025 -5.225 39 3HB ALA 6 HB3 ALA 6 -6.726 7.742 -6.359 40 H THR 7 HN THR 7 -8.523 8.701 -8.296 41 HA THR 7 HA THR 7 -10.819 6.872 -8.157 42 HB THR 7 HB THR 7 -9.902 8.059 -10.733 43 HG1 THR 7 HG1 THR 7 -11.443 9.501 -8.844 44 1HG2 THR 7 1HG2 THR 7 -12.716 8.022 -9.786 45 2HG2 THR 7 2HG2 THR 7 -11.964 6.509 -10.292 46 3HG2 THR 7 3HG2 THR 7 -12.068 7.864 -11.418 47 H TRP 8 HN TRP 8 -10.822 4.925 -9.265 48 HA TRP 8 HA TRP 8 -8.369 4.089 -10.602 49 1HB TRP 8 HB2 TRP 8 -9.579 2.645 -8.238 50 2HB TRP 8 HB1 TRP 8 -8.367 1.944 -9.306 51 HD1 TRP 8 HD1 TRP 8 -8.739 4.995 -6.953 52 HE1 TRP 8 HE1 TRP 8 -6.434 5.500 -5.936 53 HE3 TRP 8 HE3 TRP 8 -5.964 1.497 -9.451 54 HZ2 TRP 8 HZ2 TRP 8 -3.778 4.543 -6.164 55 HZ3 TRP 8 HZ3 TRP 8 -3.561 1.369 -8.998 56 HH2 TRP 8 HH2 TRP 8 -2.484 2.849 -7.388 57 H LYS 9 HN LYS 9 -8.614 2.006 -11.700 58 HA LYS 9 HA LYS 9 -11.330 1.118 -12.222 59 1HB LYS 9 HB2 LYS 9 -10.899 1.229 -14.720 60 2HB LYS 9 HB1 LYS 9 -11.195 2.769 -13.927 61 1HG LYS 9 HG2 LYS 9 -8.570 2.817 -13.770 62 2HG LYS 9 HG1 LYS 9 -8.699 1.702 -15.132 63 1HD LYS 9 HD2 LYS 9 -10.462 3.994 -15.411 64 2HD LYS 9 HD1 LYS 9 -8.770 4.467 -15.255 65 1HE LYS 9 HE2 LYS 9 -9.270 4.171 -17.581 66 2HE LYS 9 HE1 LYS 9 -8.213 2.858 -17.063 67 1HZ LYS 9 HZ1 LYS 9 -10.339 1.543 -16.748 68 2HZ LYS 9 HZ2 LYS 9 -9.873 1.855 -18.345 69 3HZ LYS 9 HZ3 LYS 9 -11.113 2.758 -17.633 70 H GLU 10 HN GLU 10 -8.964 0.067 -10.934 71 HA GLU 10 HA GLU 10 -7.565 -1.714 -12.559 72 1HB GLU 10 HB2 GLU 10 -6.887 -2.819 -10.488 73 2HB GLU 10 HB1 GLU 10 -6.758 -1.074 -10.370 74 1HG GLU 10 HG2 GLU 10 -9.171 -1.302 -9.345 75 2HG GLU 10 HG1 GLU 10 -8.609 -2.935 -8.991 76 H LYS 11 HN LYS 11 -7.880 -3.715 -13.254 77 HA LYS 11 HA LYS 11 -10.472 -4.773 -13.461 78 1HB LYS 11 HB2 LYS 11 -7.715 -5.802 -14.060 79 2HB LYS 11 HB1 LYS 11 -9.110 -6.850 -14.255 80 1HG LYS 11 HG2 LYS 11 -8.297 -5.643 -16.315 81 2HG LYS 11 HG1 LYS 11 -10.018 -5.514 -15.955 82 1HD LYS 11 HD2 LYS 11 -9.650 -3.309 -14.970 83 2HD LYS 11 HD1 LYS 11 -7.923 -3.441 -15.301 84 1HE LYS 11 HE2 LYS 11 -8.213 -2.702 -17.374 85 2HE LYS 11 HE1 LYS 11 -9.411 -3.953 -17.696 86 1HZ LYS 11 HZ1 LYS 11 -10.765 -2.192 -17.916 87 2HZ LYS 11 HZ2 LYS 11 -9.789 -1.166 -16.992 88 3HZ LYS 11 HZ3 LYS 11 -10.839 -2.249 -16.227 89 H ASP 12 HN ASP 12 -9.920 -7.600 -12.999 90 HA ASP 12 HA ASP 12 -9.691 -7.679 -10.079 91 1HB ASP 12 HB2 ASP 12 -11.945 -8.705 -11.770 92 2HB ASP 12 HB1 ASP 12 -11.572 -9.467 -10.227 93 H GLY 13 HN GLY 13 -8.013 -8.525 -12.487 94 1HA GLY 13 HA2 GLY 13 -7.822 -11.400 -11.889 95 2HA GLY 13 HA1 GLY 13 -7.188 -10.618 -13.328 96 H ALA 14 HN ALA 14 -5.222 -11.812 -12.798 97 HA ALA 14 HA ALA 14 -3.736 -11.314 -10.441 98 1HB ALA 14 HB1 ALA 14 -1.995 -12.532 -11.447 99 2HB ALA 14 HB2 ALA 14 -2.540 -12.128 -13.075 100 3HB ALA 14 HB3 ALA 14 -3.479 -13.243 -12.081 101 H VAL 15 HN VAL 15 -1.216 -10.645 -11.179 102 HA VAL 15 HA VAL 15 -1.371 -7.790 -11.413 103 HB VAL 15 HB VAL 15 0.435 -8.805 -10.119 104 1HG1 VAL 15 1HG1 VAL 15 2.357 -9.626 -11.862 105 2HG1 VAL 15 2HG1 VAL 15 0.894 -10.254 -12.621 106 3HG1 VAL 15 3HG1 VAL 15 1.288 -10.701 -10.962 107 1HG2 VAL 15 1HG2 VAL 15 1.829 -7.494 -12.399 108 2HG2 VAL 15 2HG2 VAL 15 1.999 -7.229 -10.667 109 3HG2 VAL 15 3HG2 VAL 15 0.596 -6.592 -11.519 110 H GLU 16 HN GLU 16 -0.567 -6.480 -13.138 111 HA GLU 16 HA GLU 16 -0.041 -7.848 -15.654 112 1HB GLU 16 HB2 GLU 16 -2.271 -5.926 -15.151 113 2HB GLU 16 HB1 GLU 16 -1.454 -5.873 -16.701 114 1HG GLU 16 HG2 GLU 16 -2.541 -7.661 -17.418 115 2HG GLU 16 HG1 GLU 16 -2.125 -8.578 -15.971 116 H ALA 17 HN ALA 17 0.853 -6.376 -17.269 117 HA ALA 17 HA ALA 17 3.203 -5.379 -16.951 118 1HB ALA 17 HB1 ALA 17 1.956 -5.031 -19.031 119 2HB ALA 17 HB2 ALA 17 2.900 -3.610 -18.581 120 3HB ALA 17 HB3 ALA 17 1.157 -3.633 -18.309 121 H GLU 18 HN GLU 18 0.770 -2.766 -16.557 122 HA GLU 18 HA GLU 18 2.445 -1.754 -14.348 123 1HB GLU 18 HB2 GLU 18 1.635 0.521 -14.988 124 2HB GLU 18 HB1 GLU 18 2.649 -0.259 -16.195 125 1HG GLU 18 HG2 GLU 18 0.497 -0.980 -17.324 126 2HG GLU 18 HG1 GLU 18 -0.324 0.149 -16.246 127 H ASP 19 HN ASP 19 0.991 -3.208 -13.052 128 HA ASP 19 HA ASP 19 -1.681 -2.112 -12.588 129 1HB ASP 19 HB2 ASP 19 -0.315 -4.645 -11.693 130 2HB ASP 19 HB1 ASP 19 -1.935 -4.184 -11.191 131 H ARG 20 HN ARG 20 -2.312 -2.637 -10.117 132 HA ARG 20 HA ARG 20 -0.290 -1.594 -8.299 133 1HB ARG 20 HB2 ARG 20 -2.303 0.042 -9.330 134 2HB ARG 20 HB1 ARG 20 -2.869 -0.399 -7.731 135 1HG ARG 20 HG2 ARG 20 -1.580 1.184 -6.903 136 2HG ARG 20 HG1 ARG 20 -0.172 0.264 -7.418 137 1HD ARG 20 HD2 ARG 20 0.057 1.491 -9.384 138 2HD ARG 20 HD1 ARG 20 -1.605 2.075 -9.324 139 HE ARG 20 HE ARG 20 -0.025 2.978 -7.113 140 1HH1 ARG 20 1HH1 ARG 20 -0.840 3.604 -10.446 141 2HH1 ARG 20 2HH1 ARG 20 -0.482 5.295 -10.347 142 1HH2 ARG 20 1HH2 ARG 20 0.441 5.201 -6.977 143 2HH2 ARG 20 2HH2 ARG 20 0.246 6.203 -8.376 144 H VAL 21 HN VAL 21 -0.179 -3.123 -6.777 145 HA VAL 21 HA VAL 21 -2.533 -4.715 -6.115 146 HB VAL 21 HB VAL 21 -0.981 -6.141 -4.866 147 1HG1 VAL 21 1HG1 VAL 21 0.201 -7.080 -6.717 148 2HG1 VAL 21 2HG1 VAL 21 0.173 -5.540 -7.584 149 3HG1 VAL 21 3HG1 VAL 21 -1.325 -6.432 -7.330 150 1HG2 VAL 21 1HG2 VAL 21 1.374 -5.732 -4.835 151 2HG2 VAL 21 2HG2 VAL 21 0.554 -4.325 -4.166 152 3HG2 VAL 21 3HG2 VAL 21 1.192 -4.282 -5.812 153 H THR 22 HN THR 22 -2.788 -5.317 -3.755 154 HA THR 22 HA THR 22 -2.356 -2.951 -2.046 155 HB THR 22 HB THR 22 -4.652 -4.926 -1.975 156 HG1 THR 22 HG1 THR 22 -4.744 -3.318 -3.644 157 1HG2 THR 22 1HG2 THR 22 -5.003 -4.307 0.114 158 2HG2 THR 22 2HG2 THR 22 -5.277 -2.664 -0.466 159 3HG2 THR 22 3HG2 THR 22 -3.663 -3.156 0.052 160 H ILE 23 HN ILE 23 -0.800 -3.411 -0.597 161 HA ILE 23 HA ILE 23 -0.760 -6.137 0.522 162 HB ILE 23 HB ILE 23 1.671 -5.979 0.715 163 1HG1 ILE 23 2HG1 ILE 23 1.298 -3.362 -0.735 164 2HG1 ILE 23 1HG1 ILE 23 1.995 -3.619 0.863 165 1HG2 ILE 23 1HG2 ILE 23 1.557 -5.470 -2.126 166 2HG2 ILE 23 2HG2 ILE 23 0.199 -6.464 -1.599 167 3HG2 ILE 23 3HG2 ILE 23 1.855 -6.985 -1.269 168 1HD1 ILE 23 1HD1 ILE 23 3.391 -5.114 -1.167 169 2HD1 ILE 23 2HD1 ILE 23 4.009 -3.972 0.023 170 3HD1 ILE 23 3HD1 ILE 23 3.369 -3.387 -1.514 171 H ASP 24 HN ASP 24 0.146 -6.385 2.593 172 HA ASP 24 HA ASP 24 0.064 -3.981 4.308 173 1HB ASP 24 HB2 ASP 24 -1.897 -5.362 4.774 174 2HB ASP 24 HB1 ASP 24 -0.898 -6.803 4.898 175 H PHE 25 HN PHE 25 2.066 -3.636 5.216 176 HA PHE 25 HA PHE 25 3.680 -5.992 5.846 177 1HB PHE 25 HB2 PHE 25 5.597 -5.274 4.715 178 2HB PHE 25 HB1 PHE 25 4.269 -5.079 3.587 179 HD1 PHE 25 HD1 PHE 25 4.164 -3.156 2.346 180 HD2 PHE 25 HD2 PHE 25 6.150 -3.094 6.128 181 HE1 PHE 25 HE1 PHE 25 4.790 -0.789 2.017 182 HE2 PHE 25 HE2 PHE 25 6.775 -0.756 5.768 183 HZ PHE 25 HZ PHE 25 6.079 0.402 3.716 184 H THR 26 HN THR 26 5.658 -5.454 7.056 185 HA THR 26 HA THR 26 5.606 -2.991 8.596 186 HB THR 26 HB THR 26 5.035 -5.674 9.856 187 HG1 THR 26 HG1 THR 26 3.137 -4.807 9.378 188 1HG2 THR 26 1HG2 THR 26 6.224 -3.273 11.048 189 2HG2 THR 26 2HG2 THR 26 6.235 -4.949 11.598 190 3HG2 THR 26 3HG2 THR 26 4.829 -3.930 11.903 191 H GLY 27 HN GLY 27 7.664 -2.363 8.786 192 1HA GLY 27 HA2 GLY 27 9.692 -4.098 9.802 193 2HA GLY 27 HA1 GLY 27 9.888 -3.845 8.082 194 H SER 28 HN SER 28 11.930 -3.129 9.495 195 HA SER 28 HA SER 28 11.768 -0.203 9.928 196 1HB SER 28 HB2 SER 28 14.241 -1.532 10.783 197 2HB SER 28 HB1 SER 28 13.168 -0.456 11.680 198 HG SER 28 HG SER 28 12.861 -3.246 11.284 199 H VAL 29 HN VAL 29 14.389 0.459 9.671 200 HA VAL 29 HA VAL 29 14.844 0.107 6.843 201 HB VAL 29 HB VAL 29 14.750 2.386 7.489 202 1HG1 VAL 29 1HG1 VAL 29 16.062 1.472 9.866 203 2HG1 VAL 29 2HG1 VAL 29 15.186 2.970 9.567 204 3HG1 VAL 29 3HG1 VAL 29 16.905 2.871 9.196 205 1HG2 VAL 29 1HG2 VAL 29 17.269 1.296 6.523 206 2HG2 VAL 29 2HG2 VAL 29 17.442 2.881 7.276 207 3HG2 VAL 29 3HG2 VAL 29 16.318 2.658 5.937 208 H ASP 30 HN ASP 30 17.700 0.942 8.604 209 HA ASP 30 HA ASP 30 18.770 -1.686 7.929 210 1HB ASP 30 HB2 ASP 30 19.902 1.022 8.254 211 2HB ASP 30 HB1 ASP 30 20.900 -0.278 8.903 212 H GLY 31 HN GLY 31 16.926 -1.580 10.011 213 1HA GLY 31 HA2 GLY 31 16.923 -2.837 12.021 214 2HA GLY 31 HA1 GLY 31 18.620 -2.427 12.253 215 H GLU 32 HN GLU 32 16.948 0.259 11.229 216 HA GLU 32 HA GLU 32 16.479 1.199 13.973 217 1HB GLU 32 HB2 GLU 32 17.495 2.865 11.670 218 2HB GLU 32 HB1 GLU 32 17.293 3.380 13.339 219 1HG GLU 32 HG2 GLU 32 18.955 1.182 13.527 220 2HG GLU 32 HG1 GLU 32 19.505 2.008 12.070 221 H GLU 33 HN GLU 33 15.315 3.490 13.612 222 HA GLU 33 HA GLU 33 12.682 2.908 13.043 223 1HB GLU 33 HB2 GLU 33 14.094 5.566 13.203 224 2HB GLU 33 HB1 GLU 33 12.347 5.395 13.108 225 1HG GLU 33 HG2 GLU 33 13.680 3.837 15.220 226 2HG GLU 33 HG1 GLU 33 13.711 5.589 15.410 227 H PHE 34 HN PHE 34 11.593 2.716 11.317 228 HA PHE 34 HA PHE 34 12.593 3.806 8.759 229 1HB PHE 34 HB2 PHE 34 12.301 1.341 8.840 230 2HB PHE 34 HB1 PHE 34 10.593 1.579 9.178 231 HD1 PHE 34 HD1 PHE 34 9.153 1.375 7.412 232 HD2 PHE 34 HD2 PHE 34 13.125 2.704 6.678 233 HE1 PHE 34 HE1 PHE 34 8.685 1.428 4.999 234 HE2 PHE 34 HE2 PHE 34 12.665 2.755 4.265 235 HZ PHE 34 HZ PHE 34 10.443 2.119 3.421 236 H GLU 35 HN GLU 35 10.990 4.685 7.262 237 HA GLU 35 HA GLU 35 9.177 6.439 8.571 238 1HB GLU 35 HB2 GLU 35 9.635 5.777 5.663 239 2HB GLU 35 HB1 GLU 35 8.440 6.956 6.188 240 1HG GLU 35 HG2 GLU 35 11.102 7.373 7.319 241 2HG GLU 35 HG1 GLU 35 11.032 7.504 5.563 242 H GLY 36 HN GLY 36 8.373 4.178 5.953 243 1HA GLY 36 HA2 GLY 36 5.700 3.875 7.037 244 2HA GLY 36 HA1 GLY 36 6.315 3.158 5.552 245 H GLY 37 HN GLY 37 7.425 3.004 8.932 246 1HA GLY 37 HA2 GLY 37 8.292 0.377 8.832 247 2HA GLY 37 HA1 GLY 37 7.839 1.214 10.304 248 H LYS 38 HN LYS 38 5.052 1.503 8.991 249 HA LYS 38 HA LYS 38 4.162 -1.265 9.151 250 1HB LYS 38 HB2 LYS 38 3.763 0.714 11.245 251 2HB LYS 38 HB1 LYS 38 2.240 0.067 10.653 252 1HG LYS 38 HG2 LYS 38 2.599 -1.963 11.548 253 2HG LYS 38 HG1 LYS 38 4.324 -1.936 11.177 254 1HD LYS 38 HD2 LYS 38 3.191 -0.181 13.326 255 2HD LYS 38 HD1 LYS 38 3.575 -1.874 13.651 256 1HE LYS 38 HE2 LYS 38 5.751 -0.624 12.255 257 2HE LYS 38 HE1 LYS 38 5.323 0.329 13.676 258 1HZ LYS 38 HZ1 LYS 38 7.009 -1.515 13.986 259 2HZ LYS 38 HZ2 LYS 38 5.720 -2.598 13.823 260 3HZ LYS 38 HZ3 LYS 38 5.723 -1.473 15.086 261 H ALA 39 HN ALA 39 2.971 -1.601 7.426 262 HA ALA 39 HA ALA 39 1.057 0.466 6.595 263 1HB ALA 39 HB1 ALA 39 2.539 0.841 4.898 264 2HB ALA 39 HB2 ALA 39 1.620 -0.489 4.190 265 3HB ALA 39 HB3 ALA 39 3.190 -0.799 4.942 266 H SER 40 HN SER 40 -0.887 -0.279 5.913 267 HA SER 40 HA SER 40 -1.308 -3.183 6.118 268 1HB SER 40 HB2 SER 40 -2.475 -1.769 7.828 269 2HB SER 40 HB1 SER 40 -3.368 -1.001 6.514 270 HG SER 40 HG SER 40 -4.108 -3.155 5.966 271 H ASP 41 HN ASP 41 -2.685 -0.321 4.506 272 HA ASP 41 HA ASP 41 -3.350 -1.966 2.203 273 1HB ASP 41 HB2 ASP 41 -4.372 0.745 3.096 274 2HB ASP 41 HB1 ASP 41 -4.777 0.001 1.554 275 H PHE 42 HN PHE 42 -0.956 -1.880 1.806 276 HA PHE 42 HA PHE 42 0.034 0.719 0.948 277 1HB PHE 42 HB2 PHE 42 1.651 -0.606 2.151 278 2HB PHE 42 HB1 PHE 42 1.369 -1.992 1.112 279 HD1 PHE 42 HD1 PHE 42 3.896 -2.063 0.804 280 HD2 PHE 42 HD2 PHE 42 1.490 1.222 -0.514 281 HE1 PHE 42 HE1 PHE 42 5.703 -1.300 -0.667 282 HE2 PHE 42 HE2 PHE 42 3.315 1.969 -1.975 283 HZ PHE 42 HZ PHE 42 5.424 0.709 -2.054 284 H VAL 43 HN VAL 43 -0.698 1.360 -0.968 285 HA VAL 43 HA VAL 43 -1.400 -0.530 -3.019 286 HB VAL 43 HB VAL 43 -1.308 2.480 -3.167 287 1HG1 VAL 43 1HG1 VAL 43 -1.942 0.416 -5.064 288 2HG1 VAL 43 2HG1 VAL 43 -1.850 2.164 -5.294 289 3HG1 VAL 43 3HG1 VAL 43 -3.359 1.425 -4.759 290 1HG2 VAL 43 1HG2 VAL 43 -3.892 2.036 -2.855 291 2HG2 VAL 43 2HG2 VAL 43 -2.818 2.229 -1.469 292 3HG2 VAL 43 3HG2 VAL 43 -3.304 0.617 -1.992 293 H LEU 44 HN LEU 44 0.434 -1.516 -3.763 294 HA LEU 44 HA LEU 44 2.698 0.111 -4.591 295 1HB LEU 44 HB2 LEU 44 2.461 -2.453 -3.560 296 2HB LEU 44 HB1 LEU 44 2.841 -2.723 -5.250 297 HG LEU 44 HG LEU 44 4.480 -1.231 -3.213 298 1HD1 LEU 44 1HD1 LEU 44 6.163 -2.928 -4.320 299 2HD1 LEU 44 2HD1 LEU 44 4.678 -3.819 -4.647 300 3HD1 LEU 44 3HD1 LEU 44 5.112 -3.404 -2.985 301 1HD2 LEU 44 1HD2 LEU 44 4.833 -1.359 -6.204 302 2HD2 LEU 44 2HD2 LEU 44 6.076 -0.821 -5.074 303 3HD2 LEU 44 3HD2 LEU 44 4.570 0.082 -5.223 304 H ALA 45 HN ALA 45 3.220 0.574 -6.631 305 HA ALA 45 HA ALA 45 1.324 -0.206 -8.725 306 1HB ALA 45 HB1 ALA 45 3.528 1.795 -9.079 307 2HB ALA 45 HB2 ALA 45 2.043 2.219 -8.228 308 3HB ALA 45 HB3 ALA 45 1.975 1.689 -9.909 309 H MET 46 HN MET 46 1.888 -2.095 -9.677 310 HA MET 46 HA MET 46 4.583 -2.974 -9.893 311 1HB MET 46 HB2 MET 46 1.949 -4.061 -10.461 312 2HB MET 46 HB1 MET 46 3.144 -4.531 -11.665 313 1HG MET 46 HG2 MET 46 3.594 -4.832 -8.713 314 2HG MET 46 HG1 MET 46 2.866 -6.086 -9.707 315 1HE MET 46 HE1 MET 46 3.725 -7.203 -11.444 316 2HE MET 46 HE2 MET 46 5.163 -8.084 -10.929 317 3HE MET 46 HE3 MET 46 5.257 -6.943 -12.271 318 H GLY 47 HN GLY 47 5.697 -1.402 -10.992 319 1HA GLY 47 HA2 GLY 47 6.832 -0.993 -13.032 320 2HA GLY 47 HA1 GLY 47 5.430 -1.595 -13.902 321 H GLN 48 HN GLN 48 6.089 1.020 -11.571 322 HA GLN 48 HA GLN 48 4.669 2.850 -13.396 323 1HB GLN 48 HB2 GLN 48 3.597 2.297 -11.121 324 2HB GLN 48 HB1 GLN 48 4.888 3.264 -10.423 325 1HG GLN 48 HG2 GLN 48 2.983 4.657 -10.647 326 2HG GLN 48 HG1 GLN 48 4.155 5.156 -11.868 327 1HE2 GLN 48 1HE2 GLN 48 3.786 4.554 -14.052 328 2HE2 GLN 48 2HE2 GLN 48 2.188 4.215 -14.616 329 H GLY 49 HN GLY 49 6.900 3.049 -10.616 330 1HA GLY 49 HA2 GLY 49 8.327 5.208 -12.008 331 2HA GLY 49 HA1 GLY 49 8.426 4.853 -10.290 332 H ARG 50 HN ARG 50 9.119 2.347 -10.046 333 HA ARG 50 HA ARG 50 10.905 1.170 -11.804 334 1HB ARG 50 HB2 ARG 50 13.085 1.789 -10.915 335 2HB ARG 50 HB1 ARG 50 12.257 3.219 -11.516 336 1HG ARG 50 HG2 ARG 50 12.277 4.193 -9.519 337 2HG ARG 50 HG1 ARG 50 11.729 2.731 -8.704 338 1HD ARG 50 HD2 ARG 50 14.040 3.645 -8.085 339 2HD ARG 50 HD1 ARG 50 13.900 1.922 -8.430 340 HE ARG 50 HE ARG 50 15.400 2.243 -10.104 341 1HH1 ARG 50 1HH1 ARG 50 13.728 5.261 -9.574 342 2HH1 ARG 50 2HH1 ARG 50 14.598 6.103 -10.809 343 1HH2 ARG 50 1HH2 ARG 50 16.553 3.352 -11.722 344 2HH2 ARG 50 2HH2 ARG 50 16.206 5.023 -12.025 345 H MET 51 HN MET 51 9.197 -0.127 -10.442 346 HA MET 51 HA MET 51 9.485 -0.805 -7.812 347 1HB MET 51 HB2 MET 51 8.488 -2.205 -10.209 348 2HB MET 51 HB1 MET 51 8.901 -3.240 -8.846 349 1HG MET 51 HG2 MET 51 7.507 -1.491 -7.491 350 2HG MET 51 HG1 MET 51 6.799 -1.149 -9.072 351 1HE MET 51 HE1 MET 51 6.209 -4.254 -6.117 352 2HE MET 51 HE2 MET 51 7.748 -3.475 -6.490 353 3HE MET 51 HE3 MET 51 7.375 -5.059 -7.165 354 H ILE 52 HN ILE 52 11.139 -1.422 -6.670 355 HA ILE 52 HA ILE 52 13.560 -2.385 -7.815 356 HB ILE 52 HB ILE 52 13.986 -2.923 -5.224 357 1HG1 ILE 52 2HG1 ILE 52 11.851 -0.771 -5.208 358 2HG1 ILE 52 1HG1 ILE 52 11.732 -2.361 -4.465 359 1HG2 ILE 52 1HG2 ILE 52 14.821 -0.556 -5.054 360 2HG2 ILE 52 2HG2 ILE 52 14.089 -0.272 -6.633 361 3HG2 ILE 52 3HG2 ILE 52 15.373 -1.467 -6.458 362 1HD1 ILE 52 1HD1 ILE 52 13.535 -1.756 -2.938 363 2HD1 ILE 52 2HD1 ILE 52 12.167 -0.651 -2.816 364 3HD1 ILE 52 3HD1 ILE 52 13.625 -0.161 -3.681 365 HA PRO 53 HA PRO 53 13.269 -6.762 -7.726 366 1HB PRO 53 HB2 PRO 53 15.494 -6.943 -5.772 367 2HB PRO 53 HB1 PRO 53 15.360 -7.635 -7.392 368 1HG PRO 53 HG2 PRO 53 16.947 -5.541 -6.919 369 2HG PRO 53 HG1 PRO 53 16.028 -5.675 -8.429 370 1HD PRO 53 HD2 PRO 53 15.478 -3.993 -6.018 371 2HD PRO 53 HD1 PRO 53 15.273 -3.601 -7.738 372 H GLY 54 HN GLY 54 13.710 -5.236 -4.577 373 1HA GLY 54 HA2 GLY 54 12.896 -7.321 -2.921 374 2HA GLY 54 HA1 GLY 54 12.707 -5.614 -2.550 375 H PHE 55 HN PHE 55 10.843 -4.613 -4.055 376 HA PHE 55 HA PHE 55 8.474 -5.881 -3.159 377 1HB PHE 55 HB2 PHE 55 8.977 -3.523 -4.966 378 2HB PHE 55 HB1 PHE 55 7.360 -4.106 -4.613 379 HD1 PHE 55 HD1 PHE 55 7.007 -4.472 -1.911 380 HD2 PHE 55 HD2 PHE 55 9.639 -1.704 -3.793 381 HE1 PHE 55 HE1 PHE 55 6.948 -3.082 0.082 382 HE2 PHE 55 HE2 PHE 55 9.577 -0.290 -1.781 383 HZ PHE 55 HZ PHE 55 8.225 -0.976 0.157 384 H GLU 56 HN GLU 56 9.974 -5.484 -6.360 385 HA GLU 56 HA GLU 56 7.988 -6.674 -7.907 386 1HB GLU 56 HB2 GLU 56 10.589 -5.738 -8.342 387 2HB GLU 56 HB1 GLU 56 10.628 -7.420 -8.846 388 1HG GLU 56 HG2 GLU 56 8.843 -7.058 -10.400 389 2HG GLU 56 HG1 GLU 56 8.597 -5.418 -9.800 390 H ASP 57 HN ASP 57 10.048 -8.082 -5.574 391 HA ASP 57 HA ASP 57 9.986 -10.747 -6.633 392 1HB ASP 57 HB2 ASP 57 11.151 -9.378 -4.307 393 2HB ASP 57 HB1 ASP 57 10.635 -11.031 -3.985 394 H GLY 58 HN GLY 58 8.876 -9.724 -3.400 395 1HA GLY 58 HA2 GLY 58 6.953 -11.808 -3.292 396 2HA GLY 58 HA1 GLY 58 7.128 -10.500 -2.137 397 H ILE 59 HN ILE 59 6.557 -8.278 -3.557 398 HA ILE 59 HA ILE 59 3.732 -8.501 -3.918 399 HB ILE 59 HB ILE 59 5.481 -6.064 -4.345 400 1HG1 ILE 59 2HG1 ILE 59 4.794 -5.613 -1.906 401 2HG1 ILE 59 1HG1 ILE 59 4.506 -7.328 -1.793 402 1HG2 ILE 59 1HG2 ILE 59 3.345 -5.515 -5.033 403 2HG2 ILE 59 2HG2 ILE 59 3.308 -5.046 -3.331 404 3HG2 ILE 59 3HG2 ILE 59 2.583 -6.571 -3.843 405 1HD1 ILE 59 1HD1 ILE 59 6.701 -7.791 -1.719 406 2HD1 ILE 59 2HD1 ILE 59 6.807 -6.122 -1.160 407 3HD1 ILE 59 3HD1 ILE 59 7.110 -6.512 -2.852 408 H LYS 60 HN LYS 60 5.164 -9.919 -5.753 409 HA LYS 60 HA LYS 60 5.518 -8.792 -8.312 410 1HB LYS 60 HB2 LYS 60 4.637 -11.497 -7.365 411 2HB LYS 60 HB1 LYS 60 4.391 -11.101 -9.060 412 1HG LYS 60 HG2 LYS 60 7.071 -10.759 -7.780 413 2HG LYS 60 HG1 LYS 60 6.535 -12.332 -8.367 414 1HD LYS 60 HD2 LYS 60 5.946 -10.598 -10.450 415 2HD LYS 60 HD1 LYS 60 7.501 -10.027 -9.846 416 1HE LYS 60 HE2 LYS 60 8.272 -12.438 -9.955 417 2HE LYS 60 HE1 LYS 60 6.794 -12.772 -10.857 418 1HZ LYS 60 HZ1 LYS 60 8.112 -12.300 -12.600 419 2HZ LYS 60 HZ2 LYS 60 9.199 -11.378 -11.692 420 3HZ LYS 60 HZ3 LYS 60 7.744 -10.693 -12.217 421 H GLY 61 HN GLY 61 2.700 -10.274 -6.883 422 1HA GLY 61 HA2 GLY 61 0.528 -9.114 -6.798 423 2HA GLY 61 HA1 GLY 61 0.895 -8.516 -8.416 424 H HIS 62 HN HIS 62 1.360 -11.645 -6.947 425 HA HIS 62 HA HIS 62 -0.442 -12.825 -8.970 426 1HB HIS 62 HB2 HIS 62 1.061 -14.819 -9.021 427 2HB HIS 62 HB1 HIS 62 1.772 -13.355 -9.682 428 HD2 HIS 62 HD2 HIS 62 2.533 -12.474 -6.330 429 HE1 HIS 62 HE1 HIS 62 5.365 -15.542 -7.051 430 HE2 HIS 62 HE2 HIS 62 4.808 -13.504 -5.680 431 H LYS 63 HN LYS 63 0.498 -12.758 -5.645 432 HA LYS 63 HA LYS 63 -1.379 -14.969 -5.118 433 1HB LYS 63 HB2 LYS 63 1.027 -14.065 -3.537 434 2HB LYS 63 HB1 LYS 63 -0.172 -15.189 -2.913 435 1HG LYS 63 HG2 LYS 63 0.766 -16.898 -3.965 436 2HG LYS 63 HG1 LYS 63 0.776 -16.030 -5.503 437 1HD LYS 63 HD2 LYS 63 2.846 -14.942 -4.926 438 2HD LYS 63 HD1 LYS 63 2.810 -15.642 -3.309 439 1HE LYS 63 HE2 LYS 63 2.699 -17.512 -5.606 440 2HE LYS 63 HE1 LYS 63 4.231 -16.693 -5.307 441 1HZ LYS 63 HZ1 LYS 63 2.934 -17.860 -2.983 442 2HZ LYS 63 HZ2 LYS 63 4.569 -17.829 -3.409 443 3HZ LYS 63 HZ3 LYS 63 3.532 -18.960 -4.120 444 H ALA 64 HN ALA 64 -3.167 -13.545 -5.128 445 HA ALA 64 HA ALA 64 -3.401 -11.233 -3.558 446 1HB ALA 64 HB1 ALA 64 -5.925 -12.579 -3.785 447 2HB ALA 64 HB2 ALA 64 -5.042 -12.695 -5.307 448 3HB ALA 64 HB3 ALA 64 -5.365 -11.115 -4.593 449 H GLY 65 HN GLY 65 -2.736 -11.438 -1.445 450 1HA GLY 65 HA2 GLY 65 -3.600 -11.713 0.785 451 2HA GLY 65 HA1 GLY 65 -4.411 -13.174 0.245 452 H GLU 66 HN GLU 66 -1.063 -12.261 -0.377 453 HA GLU 66 HA GLU 66 -0.205 -14.759 0.880 454 1HB GLU 66 HB2 GLU 66 0.415 -13.882 -1.521 455 2HB GLU 66 HB1 GLU 66 1.632 -12.964 -0.648 456 1HG GLU 66 HG2 GLU 66 2.629 -14.974 -1.432 457 2HG GLU 66 HG1 GLU 66 2.462 -15.095 0.316 458 H GLU 67 HN GLU 67 1.890 -14.750 2.034 459 HA GLU 67 HA GLU 67 2.457 -12.265 3.480 460 1HB GLU 67 HB2 GLU 67 1.002 -13.630 4.929 461 2HB GLU 67 HB1 GLU 67 2.118 -14.980 4.780 462 1HG GLU 67 HG2 GLU 67 3.848 -13.250 5.720 463 2HG GLU 67 HG1 GLU 67 2.399 -12.446 6.315 464 H PHE 68 HN PHE 68 4.444 -11.832 2.809 465 HA PHE 68 HA PHE 68 6.518 -13.898 3.054 466 1HB PHE 68 HB2 PHE 68 7.478 -13.045 0.882 467 2HB PHE 68 HB1 PHE 68 5.952 -13.918 0.721 468 HD1 PHE 68 HD1 PHE 68 4.043 -12.877 -0.179 469 HD2 PHE 68 HD2 PHE 68 7.452 -10.557 0.870 470 HE1 PHE 68 HE1 PHE 68 3.033 -10.908 -1.258 471 HE2 PHE 68 HE2 PHE 68 6.454 -8.587 -0.211 472 HZ PHE 68 HZ PHE 68 4.239 -8.776 -1.283 473 H THR 69 HN THR 69 8.750 -12.900 2.890 474 HA THR 69 HA THR 69 8.757 -10.159 3.961 475 HB THR 69 HB THR 69 10.603 -12.390 4.828 476 HG1 THR 69 HG1 THR 69 8.349 -12.545 5.533 477 1HG2 THR 69 1HG2 THR 69 11.853 -10.683 5.533 478 2HG2 THR 69 2HG2 THR 69 10.638 -10.529 6.802 479 3HG2 THR 69 3HG2 THR 69 10.542 -9.517 5.360 480 H ILE 70 HN ILE 70 9.861 -8.801 2.693 481 HA ILE 70 HA ILE 70 12.190 -9.861 1.237 482 HB ILE 70 HB ILE 70 11.672 -8.582 -0.725 483 1HG1 ILE 70 2HG1 ILE 70 10.591 -6.666 0.456 484 2HG1 ILE 70 1HG1 ILE 70 9.703 -7.203 -0.964 485 1HG2 ILE 70 1HG2 ILE 70 10.691 -10.635 -0.996 486 2HG2 ILE 70 2HG2 ILE 70 9.300 -9.573 -1.218 487 3HG2 ILE 70 3HG2 ILE 70 9.549 -10.387 0.326 488 1HD1 ILE 70 1HD1 ILE 70 7.941 -7.092 0.407 489 2HD1 ILE 70 2HD1 ILE 70 8.932 -7.209 1.861 490 3HD1 ILE 70 3HD1 ILE 70 8.504 -8.667 0.965 491 H ASP 71 HN ASP 71 13.810 -8.236 0.665 492 HA ASP 71 HA ASP 71 13.831 -6.019 2.579 493 1HB ASP 71 HB2 ASP 71 16.117 -7.232 0.994 494 2HB ASP 71 HB1 ASP 71 16.255 -5.922 2.163 495 H VAL 72 HN VAL 72 14.002 -3.861 1.715 496 HA VAL 72 HA VAL 72 14.248 -3.727 -1.203 497 HB VAL 72 HB VAL 72 12.417 -2.112 -1.390 498 1HG1 VAL 72 1HG1 VAL 72 12.006 -4.908 -0.569 499 2HG1 VAL 72 2HG1 VAL 72 11.511 -4.068 -2.038 500 3HG1 VAL 72 3HG1 VAL 72 10.571 -3.884 -0.556 501 1HG2 VAL 72 1HG2 VAL 72 10.763 -2.146 0.585 502 2HG2 VAL 72 2HG2 VAL 72 12.168 -1.083 0.660 503 3HG2 VAL 72 3HG2 VAL 72 12.169 -2.612 1.543 504 H THR 73 HN THR 73 15.027 -1.681 -2.011 505 HA THR 73 HA THR 73 15.708 0.357 -0.099 506 HB THR 73 HB THR 73 17.762 -1.326 -1.532 507 HG1 THR 73 HG1 THR 73 17.149 -1.808 0.656 508 1HG2 THR 73 1HG2 THR 73 17.963 1.528 -0.811 509 2HG2 THR 73 2HG2 THR 73 18.820 0.596 -2.041 510 3HG2 THR 73 3HG2 THR 73 19.317 0.493 -0.351 511 H PHE 74 HN PHE 74 15.364 2.265 -1.054 512 HA PHE 74 HA PHE 74 14.809 2.313 -3.880 513 1HB PHE 74 HB2 PHE 74 14.525 4.308 -1.660 514 2HB PHE 74 HB1 PHE 74 14.243 4.749 -3.342 515 HD1 PHE 74 HD1 PHE 74 13.308 2.030 -0.958 516 HD2 PHE 74 HD2 PHE 74 12.103 4.632 -4.092 517 HE1 PHE 74 HE1 PHE 74 11.041 1.069 -0.874 518 HE2 PHE 74 HE2 PHE 74 9.827 3.692 -4.013 519 HZ PHE 74 HZ PHE 74 9.295 1.903 -2.403 520 HA PRO 75 HA PRO 75 18.914 3.591 -5.024 521 1HB PRO 75 HB2 PRO 75 18.317 4.404 -7.563 522 2HB PRO 75 HB1 PRO 75 18.534 2.712 -7.103 523 1HG PRO 75 HG2 PRO 75 16.004 4.272 -7.460 524 2HG PRO 75 HG1 PRO 75 16.381 2.617 -7.974 525 1HD PRO 75 HD2 PRO 75 14.917 3.131 -5.779 526 2HD PRO 75 HD1 PRO 75 16.027 1.747 -5.862 527 H GLU 76 HN GLU 76 19.870 5.551 -6.251 528 HA GLU 76 HA GLU 76 19.028 7.901 -4.844 529 1HB GLU 76 HB2 GLU 76 20.932 8.981 -6.060 530 2HB GLU 76 HB1 GLU 76 21.382 7.564 -5.121 531 1HG GLU 76 HG2 GLU 76 21.557 6.223 -7.071 532 2HG GLU 76 HG1 GLU 76 20.823 7.475 -8.071 533 H GLU 77 HN GLU 77 17.983 6.481 -7.664 534 HA GLU 77 HA GLU 77 17.490 8.937 -9.125 535 1HB GLU 77 HB2 GLU 77 16.331 6.268 -9.845 536 2HB GLU 77 HB1 GLU 77 16.797 7.590 -10.904 537 1HG GLU 77 HG2 GLU 77 19.193 7.023 -9.917 538 2HG GLU 77 HG1 GLU 77 18.441 5.445 -9.694 539 H TYR 78 HN TYR 78 15.704 6.553 -7.245 540 HA TYR 78 HA TYR 78 13.096 7.470 -7.778 541 1HB TYR 78 HB2 TYR 78 14.012 5.351 -6.471 542 2HB TYR 78 HB1 TYR 78 13.794 6.393 -5.073 543 HD1 TYR 78 HD1 TYR 78 12.229 4.168 -7.335 544 HD2 TYR 78 HD2 TYR 78 11.450 7.427 -4.722 545 HE1 TYR 78 HE1 TYR 78 9.852 3.552 -7.295 546 HE2 TYR 78 HE2 TYR 78 9.067 6.823 -4.670 547 HH TYR 78 HH TYR 78 7.895 3.853 -5.961 548 H HIS 79 HN HIS 79 14.862 7.904 -4.741 549 HA HIS 79 HA HIS 79 14.531 9.431 -3.073 550 1HB HIS 79 HB2 HIS 79 15.576 10.848 -5.483 551 2HB HIS 79 HB1 HIS 79 15.301 11.744 -3.989 552 HD2 HIS 79 HD2 HIS 79 16.589 8.158 -3.467 553 HE1 HIS 79 HE1 HIS 79 19.890 10.789 -2.979 554 HE2 HIS 79 HE2 HIS 79 19.091 8.405 -2.839 555 H ALA 80 HN ALA 80 12.091 9.032 -3.186 556 HA ALA 80 HA ALA 80 10.545 11.246 -4.250 557 1HB ALA 80 HB1 ALA 80 9.731 8.890 -4.348 558 2HB ALA 80 HB2 ALA 80 8.606 10.010 -3.579 559 3HB ALA 80 HB3 ALA 80 9.579 8.921 -2.591 560 H GLU 81 HN GLU 81 9.276 12.650 -2.981 561 HA GLU 81 HA GLU 81 10.500 13.717 -0.723 562 1HB GLU 81 HB2 GLU 81 8.551 14.551 -2.389 563 2HB GLU 81 HB1 GLU 81 7.585 14.146 -0.977 564 1HG GLU 81 HG2 GLU 81 8.293 15.924 0.163 565 2HG GLU 81 HG1 GLU 81 9.967 15.697 -0.340 566 H ASN 82 HN ASN 82 8.551 10.927 -0.901 567 HA ASN 82 HA ASN 82 7.703 11.153 1.879 568 1HB ASN 82 HB2 ASN 82 7.005 8.615 0.700 569 2HB ASN 82 HB1 ASN 82 5.955 9.887 1.307 570 1HD2 ASN 82 1HD2 ASN 82 7.838 8.895 -1.504 571 2HD2 ASN 82 2HD2 ASN 82 6.807 9.630 -2.677 572 H LEU 83 HN LEU 83 9.542 8.837 -0.129 573 HA LEU 83 HA LEU 83 10.973 8.065 2.308 574 1HB LEU 83 HB2 LEU 83 10.749 5.754 1.935 575 2HB LEU 83 HB1 LEU 83 9.148 6.439 1.804 576 HG LEU 83 HG LEU 83 9.138 4.914 0.093 577 1HD1 LEU 83 1HD1 LEU 83 8.714 6.109 -1.733 578 2HD1 LEU 83 2HD1 LEU 83 10.327 6.828 -1.773 579 3HD1 LEU 83 3HD1 LEU 83 9.083 7.492 -0.714 580 1HD2 LEU 83 1HD2 LEU 83 11.818 5.572 -0.997 581 2HD2 LEU 83 2HD2 LEU 83 10.908 4.073 -1.040 582 3HD2 LEU 83 3HD2 LEU 83 11.694 4.569 0.447 583 H LYS 84 HN LYS 84 11.724 9.726 -0.010 584 HA LYS 84 HA LYS 84 13.282 8.775 -1.938 585 1HB LYS 84 HB2 LYS 84 14.885 10.642 -1.548 586 2HB LYS 84 HB1 LYS 84 13.199 11.133 -1.538 587 1HG LYS 84 HG2 LYS 84 13.324 10.927 0.996 588 2HG LYS 84 HG1 LYS 84 15.074 10.847 0.781 589 1HD LYS 84 HD2 LYS 84 14.793 13.102 1.085 590 2HD LYS 84 HD1 LYS 84 14.667 12.999 -0.672 591 1HE LYS 84 HE2 LYS 84 12.888 14.386 0.092 592 2HE LYS 84 HE1 LYS 84 12.187 12.844 -0.399 593 1HZ LYS 84 HZ1 LYS 84 12.528 12.302 2.124 594 2HZ LYS 84 HZ2 LYS 84 11.167 13.159 1.603 595 3HZ LYS 84 HZ3 LYS 84 12.476 13.985 2.288 596 H GLY 85 HN GLY 85 14.865 7.395 -2.233 597 1HA GLY 85 HA2 GLY 85 16.475 5.821 -1.755 598 2HA GLY 85 HA1 GLY 85 17.282 7.200 -1.039 599 H LYS 86 HN LYS 86 14.533 5.126 -0.088 600 HA LYS 86 HA LYS 86 15.671 4.998 2.605 601 1HB LYS 86 HB2 LYS 86 13.061 5.279 1.653 602 2HB LYS 86 HB1 LYS 86 13.129 3.651 2.305 603 1HG LYS 86 HG2 LYS 86 12.654 4.653 4.251 604 2HG LYS 86 HG1 LYS 86 14.367 5.074 4.268 605 1HD LYS 86 HD2 LYS 86 12.139 6.790 3.175 606 2HD LYS 86 HD1 LYS 86 12.940 7.016 4.729 607 1HE LYS 86 HE2 LYS 86 14.775 6.856 2.453 608 2HE LYS 86 HE1 LYS 86 13.664 8.221 2.380 609 1HZ LYS 86 HZ1 LYS 86 15.976 8.233 3.719 610 2HZ LYS 86 HZ2 LYS 86 14.911 7.790 4.955 611 3HZ LYS 86 HZ3 LYS 86 14.661 9.228 4.098 612 H ALA 87 HN ALA 87 17.272 3.443 2.453 613 HA ALA 87 HA ALA 87 16.704 0.848 1.298 614 1HB ALA 87 HB1 ALA 87 18.958 0.334 1.648 615 2HB ALA 87 HB2 ALA 87 19.114 1.496 2.965 616 3HB ALA 87 HB3 ALA 87 18.974 2.063 1.300 617 H ALA 88 HN ALA 88 15.009 0.026 2.546 618 HA ALA 88 HA ALA 88 15.753 -0.665 5.314 619 1HB ALA 88 HB1 ALA 88 13.148 0.430 4.297 620 2HB ALA 88 HB2 ALA 88 14.185 1.062 5.581 621 3HB ALA 88 HB3 ALA 88 13.272 -0.422 5.836 622 H LYS 89 HN LYS 89 14.040 -2.266 6.204 623 HA LYS 89 HA LYS 89 13.577 -4.420 4.236 624 1HB LYS 89 HB2 LYS 89 14.446 -4.776 7.114 625 2HB LYS 89 HB1 LYS 89 14.107 -6.070 5.973 626 1HG LYS 89 HG2 LYS 89 16.286 -6.067 5.549 627 2HG LYS 89 HG1 LYS 89 15.997 -4.571 4.658 628 1HD LYS 89 HD2 LYS 89 17.355 -3.523 6.076 629 2HD LYS 89 HD1 LYS 89 16.186 -3.838 7.360 630 1HE LYS 89 HE2 LYS 89 17.456 -5.436 8.287 631 2HE LYS 89 HE1 LYS 89 17.889 -6.130 6.725 632 1HZ LYS 89 HZ1 LYS 89 19.839 -5.107 6.791 633 2HZ LYS 89 HZ2 LYS 89 19.500 -4.625 8.376 634 3HZ LYS 89 HZ3 LYS 89 19.128 -3.601 7.084 635 H PHE 90 HN PHE 90 11.577 -5.446 4.360 636 HA PHE 90 HA PHE 90 9.934 -4.978 6.694 637 1HB PHE 90 HB2 PHE 90 8.323 -4.682 4.269 638 2HB PHE 90 HB1 PHE 90 8.215 -3.836 5.800 639 HD1 PHE 90 HD1 PHE 90 8.477 -3.305 2.500 640 HD2 PHE 90 HD2 PHE 90 10.531 -2.321 6.098 641 HE1 PHE 90 HE1 PHE 90 9.356 -1.241 1.459 642 HE2 PHE 90 HE2 PHE 90 11.414 -0.276 5.060 643 HZ PHE 90 HZ PHE 90 10.823 0.267 2.734 644 H ALA 91 HN ALA 91 7.800 -6.232 6.455 645 HA ALA 91 HA ALA 91 8.217 -8.667 4.874 646 1HB ALA 91 HB1 ALA 91 8.422 -9.710 6.889 647 2HB ALA 91 HB2 ALA 91 6.669 -9.532 6.938 648 3HB ALA 91 HB3 ALA 91 7.697 -8.364 7.769 649 H ILE 92 HN ILE 92 6.842 -8.244 3.266 650 HA ILE 92 HA ILE 92 4.386 -6.815 3.768 651 HB ILE 92 HB ILE 92 5.851 -7.684 1.299 652 1HG1 ILE 92 2HG1 ILE 92 5.802 -5.320 0.724 653 2HG1 ILE 92 1HG1 ILE 92 4.807 -4.972 2.113 654 1HG2 ILE 92 1HG2 ILE 92 3.008 -6.766 1.406 655 2HG2 ILE 92 2HG2 ILE 92 3.652 -8.217 0.653 656 3HG2 ILE 92 3HG2 ILE 92 3.995 -6.633 -0.047 657 1HD1 ILE 92 1HD1 ILE 92 7.679 -5.677 1.937 658 2HD1 ILE 92 2HD1 ILE 92 6.791 -5.937 3.438 659 3HD1 ILE 92 3HD1 ILE 92 6.898 -4.316 2.746 660 H ASN 93 HN ASN 93 2.357 -7.464 2.868 661 HA ASN 93 HA ASN 93 1.927 -10.348 2.577 662 1HB ASN 93 HB2 ASN 93 0.553 -8.450 4.457 663 2HB ASN 93 HB1 ASN 93 -0.336 -9.819 3.798 664 1HD2 ASN 93 1HD2 ASN 93 2.720 -9.036 5.408 665 2HD2 ASN 93 2HD2 ASN 93 2.775 -10.468 6.374 666 H LEU 94 HN LEU 94 1.404 -10.408 0.439 667 HA LEU 94 HA LEU 94 0.158 -8.305 -0.957 668 1HB LEU 94 HB2 LEU 94 1.544 -10.240 -1.891 669 2HB LEU 94 HB1 LEU 94 0.063 -11.175 -1.830 670 HG LEU 94 HG LEU 94 -1.009 -9.513 -3.331 671 1HD1 LEU 94 1HD1 LEU 94 1.029 -8.189 -4.553 672 2HD1 LEU 94 2HD1 LEU 94 1.534 -8.137 -2.865 673 3HD1 LEU 94 3HD1 LEU 94 -0.039 -7.494 -3.335 674 1HD2 LEU 94 1HD2 LEU 94 0.965 -10.062 -5.196 675 2HD2 LEU 94 2HD2 LEU 94 -0.418 -11.082 -4.802 676 3HD2 LEU 94 3HD2 LEU 94 1.133 -11.351 -4.003 677 H LYS 95 HN LYS 95 -1.942 -8.206 -1.929 678 HA LYS 95 HA LYS 95 -3.982 -10.000 -0.958 679 1HB LYS 95 HB2 LYS 95 -3.822 -7.140 -0.057 680 2HB LYS 95 HB1 LYS 95 -5.374 -7.948 -0.192 681 1HG LYS 95 HG2 LYS 95 -4.834 -9.502 1.482 682 2HG LYS 95 HG1 LYS 95 -3.121 -9.090 1.422 683 1HD LYS 95 HD2 LYS 95 -3.500 -6.979 2.434 684 2HD LYS 95 HD1 LYS 95 -5.247 -7.123 2.235 685 1HE LYS 95 HE2 LYS 95 -5.459 -8.248 4.148 686 2HE LYS 95 HE1 LYS 95 -4.145 -9.348 3.730 687 1HZ LYS 95 HZ1 LYS 95 -3.893 -6.668 4.980 688 2HZ LYS 95 HZ2 LYS 95 -2.582 -7.593 4.448 689 3HZ LYS 95 HZ3 LYS 95 -3.563 -8.163 5.702 690 H LYS 96 HN LYS 96 -5.155 -6.910 -1.768 691 HA LYS 96 HA LYS 96 -6.399 -7.914 -4.105 692 1HB LYS 96 HB2 LYS 96 -6.564 -5.542 -2.468 693 2HB LYS 96 HB1 LYS 96 -6.636 -5.127 -4.175 694 1HG LYS 96 HG2 LYS 96 -8.590 -6.305 -4.518 695 2HG LYS 96 HG1 LYS 96 -8.341 -7.332 -3.105 696 1HD LYS 96 HD2 LYS 96 -8.507 -4.963 -1.880 697 2HD LYS 96 HD1 LYS 96 -9.487 -4.606 -3.303 698 1HE LYS 96 HE2 LYS 96 -11.049 -5.407 -1.786 699 2HE LYS 96 HE1 LYS 96 -10.676 -6.830 -2.756 700 1HZ LYS 96 HZ1 LYS 96 -10.724 -7.259 -0.339 701 2HZ LYS 96 HZ2 LYS 96 -9.406 -6.218 -0.145 702 3HZ LYS 96 HZ3 LYS 96 -9.235 -7.638 -1.048 703 H VAL 97 HN VAL 97 -5.164 -8.401 -5.824 704 HA VAL 97 HA VAL 97 -3.342 -6.348 -6.867 705 HB VAL 97 HB VAL 97 -2.078 -8.308 -6.472 706 1HG1 VAL 97 1HG1 VAL 97 -3.158 -10.445 -7.850 707 2HG1 VAL 97 2HG1 VAL 97 -4.561 -9.690 -7.097 708 3HG1 VAL 97 3HG1 VAL 97 -3.200 -10.210 -6.103 709 1HG2 VAL 97 1HG2 VAL 97 -2.445 -9.151 -9.207 710 2HG2 VAL 97 2HG2 VAL 97 -1.092 -8.295 -8.469 711 3HG2 VAL 97 3HG2 VAL 97 -2.474 -7.391 -9.083 712 H GLU 98 HN GLU 98 -4.434 -5.175 -8.340 713 HA GLU 98 HA GLU 98 -5.964 -6.634 -10.386 714 1HB GLU 98 HB2 GLU 98 -6.768 -4.091 -8.974 715 2HB GLU 98 HB1 GLU 98 -7.575 -4.721 -10.404 716 1HG GLU 98 HG2 GLU 98 -8.410 -6.573 -9.263 717 2HG GLU 98 HG1 GLU 98 -7.262 -6.392 -7.940 718 H GLU 99 HN GLU 99 -6.428 -5.144 -12.336 719 HA GLU 99 HA GLU 99 -3.875 -3.993 -13.113 720 1HB GLU 99 HB2 GLU 99 -5.174 -5.684 -14.508 721 2HB GLU 99 HB1 GLU 99 -6.269 -4.365 -14.889 722 1HG GLU 99 HG2 GLU 99 -3.364 -3.948 -15.326 723 2HG GLU 99 HG1 GLU 99 -4.243 -4.984 -16.449 724 H ARG 100 HN ARG 100 -3.847 -2.032 -12.072 725 HA ARG 100 HA ARG 100 -5.919 -0.094 -12.228 726 1HB ARG 100 HB2 ARG 100 -4.293 1.441 -11.302 727 2HB ARG 100 HB1 ARG 100 -4.165 -0.109 -10.479 728 1HG ARG 100 HG2 ARG 100 -1.995 -0.120 -10.932 729 2HG ARG 100 HG1 ARG 100 -2.386 -0.236 -12.643 730 1HD ARG 100 HD2 ARG 100 -2.671 2.477 -11.701 731 2HD ARG 100 HD1 ARG 100 -1.060 1.851 -11.348 732 HE ARG 100 HE ARG 100 -1.499 1.142 -13.941 733 1HH1 ARG 100 1HH1 ARG 100 -1.566 4.160 -12.191 734 2HH1 ARG 100 2HH1 ARG 100 -1.110 5.109 -13.564 735 1HH2 ARG 100 1HH2 ARG 100 -0.899 2.387 -15.748 736 2HH2 ARG 100 2HH2 ARG 100 -0.731 4.102 -15.585 737 H GLU 101 HN GLU 101 -5.378 2.142 -13.107 738 HA GLU 101 HA GLU 101 -3.700 2.574 -15.274 739 1HB GLU 101 HB2 GLU 101 -5.488 0.794 -16.138 740 2HB GLU 101 HB1 GLU 101 -6.427 2.255 -16.418 741 1HG GLU 101 HG2 GLU 101 -4.599 3.156 -17.778 742 2HG GLU 101 HG1 GLU 101 -3.685 1.672 -17.516 743 H LEU 102 HN LEU 102 -3.639 4.478 -13.949 744 HA LEU 102 HA LEU 102 -5.937 6.177 -13.731 745 1HB LEU 102 HB2 LEU 102 -3.033 6.401 -13.048 746 2HB LEU 102 HB1 LEU 102 -4.023 7.847 -13.065 747 HG LEU 102 HG LEU 102 -5.403 7.027 -11.296 748 1HD1 LEU 102 1HD1 LEU 102 -4.294 4.430 -12.084 749 2HD1 LEU 102 2HD1 LEU 102 -5.849 4.827 -11.355 750 3HD1 LEU 102 3HD1 LEU 102 -4.410 4.680 -10.344 751 1HD2 LEU 102 1HD2 LEU 102 -3.391 8.022 -10.517 752 2HD2 LEU 102 2HD2 LEU 102 -2.477 6.543 -10.812 753 3HD2 LEU 102 3HD2 LEU 102 -3.686 6.592 -9.527 754 HA PRO 103 HA PRO 103 -5.430 7.959 -17.809 755 1HB PRO 103 HB2 PRO 103 -7.258 9.952 -17.565 756 2HB PRO 103 HB1 PRO 103 -7.706 8.265 -17.839 757 1HG PRO 103 HG2 PRO 103 -7.669 9.826 -15.286 758 2HG PRO 103 HG1 PRO 103 -8.884 8.680 -15.880 759 1HD PRO 103 HD2 PRO 103 -7.021 8.005 -14.032 760 2HD PRO 103 HD1 PRO 103 -7.666 6.843 -15.209 761 H GLU 104 HN GLU 104 -3.450 8.915 -17.909 762 HA GLU 104 HA GLU 104 -2.726 11.167 -16.298 763 1HB GLU 104 HB2 GLU 104 -1.343 9.282 -17.785 764 2HB GLU 104 HB1 GLU 104 -1.112 10.766 -18.698 765 1HG GLU 104 HG2 GLU 104 0.138 11.741 -17.078 766 2HG GLU 104 HG1 GLU 104 -0.698 10.900 -15.772 767 H LEU 105 HN LEU 105 -4.016 10.692 -19.510 768 HA LEU 105 HA LEU 105 -3.861 13.582 -20.018 769 1HB LEU 105 HB2 LEU 105 -3.713 11.202 -21.705 770 2HB LEU 105 HB1 LEU 105 -4.825 12.407 -22.327 771 HG LEU 105 HG LEU 105 -2.656 12.734 -23.324 772 1HD1 LEU 105 1HD1 LEU 105 -2.539 15.006 -23.077 773 2HD1 LEU 105 2HD1 LEU 105 -2.743 14.938 -21.326 774 3HD1 LEU 105 3HD1 LEU 105 -4.131 14.693 -22.385 775 1HD2 LEU 105 1HD2 LEU 105 -1.543 11.704 -21.170 776 2HD2 LEU 105 2HD2 LEU 105 -1.396 13.401 -20.713 777 3HD2 LEU 105 3HD2 LEU 105 -0.662 12.824 -22.209 778 H THR 106 HN THR 106 -5.663 14.804 -20.204 779 HA THR 106 HA THR 106 -8.269 13.535 -20.460 780 HB THR 106 HB THR 106 -8.926 15.220 -18.477 781 HG1 THR 106 HG1 THR 106 -6.956 15.914 -17.871 782 1HG2 THR 106 1HG2 THR 106 -9.609 13.335 -17.560 783 2HG2 THR 106 2HG2 THR 106 -7.949 12.920 -17.134 784 3HG2 THR 106 3HG2 THR 106 -8.608 12.426 -18.693 Start of MODEL 26 1 1H GLY 1 HT1 GLY 1 -18.568 21.262 -11.201 2 2H GLY 1 HT2 GLY 1 -16.894 21.488 -11.108 3 3H GLY 1 HT3 GLY 1 -17.884 21.961 -9.820 4 1HA GLY 1 HA1 GLY 1 -18.535 19.619 -9.490 5 2HA GLY 1 HA2 GLY 1 -17.372 19.184 -10.732 6 H SER 2 HN SER 2 -16.783 17.883 -8.661 7 HA SER 2 HA SER 2 -14.312 18.908 -7.726 8 1HB SER 2 HB2 SER 2 -14.871 19.001 -5.305 9 2HB SER 2 HB1 SER 2 -15.705 20.243 -6.239 10 HG SER 2 HG SER 2 -17.535 18.798 -6.262 11 H HIS 3 HN HIS 3 -13.162 17.373 -6.378 12 HA HIS 3 HA HIS 3 -14.379 14.766 -5.993 13 1HB HIS 3 HB2 HIS 3 -11.969 15.134 -7.782 14 2HB HIS 3 HB1 HIS 3 -12.607 13.584 -7.245 15 HD2 HIS 3 HD2 HIS 3 -14.720 12.611 -8.717 16 HE1 HIS 3 HE1 HIS 3 -15.134 15.969 -11.280 17 HE2 HIS 3 HE2 HIS 3 -15.806 13.576 -10.858 18 H MET 4 HN MET 4 -13.637 13.826 -4.200 19 HA MET 4 HA MET 4 -11.102 14.812 -3.065 20 1HB MET 4 HB2 MET 4 -13.751 14.270 -1.775 21 2HB MET 4 HB1 MET 4 -12.277 14.080 -0.836 22 1HG MET 4 HG2 MET 4 -12.713 16.238 -0.346 23 2HG MET 4 HG1 MET 4 -11.791 16.491 -1.828 24 1HE MET 4 HE1 MET 4 -13.787 17.582 -4.409 25 2HE MET 4 HE2 MET 4 -12.269 17.557 -3.514 26 3HE MET 4 HE3 MET 4 -13.400 18.892 -3.294 27 H GLN 5 HN GLN 5 -13.304 12.070 -3.382 28 HA GLN 5 HA GLN 5 -11.446 10.220 -2.184 29 1HB GLN 5 HB2 GLN 5 -14.077 9.838 -3.613 30 2HB GLN 5 HB1 GLN 5 -13.135 8.509 -2.952 31 1HG GLN 5 HG2 GLN 5 -14.265 8.800 -1.070 32 2HG GLN 5 HG1 GLN 5 -13.333 10.278 -0.845 33 1HE2 GLN 5 1HE2 GLN 5 -16.235 9.071 -2.477 34 2HE2 GLN 5 2HE2 GLN 5 -17.182 10.493 -2.222 35 H ALA 6 HN ALA 6 -10.359 8.534 -3.230 36 HA ALA 6 HA ALA 6 -9.523 9.164 -5.932 37 1HB ALA 6 HB1 ALA 6 -7.753 8.599 -4.474 38 2HB ALA 6 HB2 ALA 6 -7.954 7.212 -5.545 39 3HB ALA 6 HB3 ALA 6 -8.586 7.155 -3.899 40 H THR 7 HN THR 7 -9.744 7.826 -7.722 41 HA THR 7 HA THR 7 -11.632 5.583 -7.418 42 HB THR 7 HB THR 7 -11.502 7.407 -9.820 43 HG1 THR 7 HG1 THR 7 -13.211 7.515 -7.564 44 1HG2 THR 7 1HG2 THR 7 -12.711 5.734 -10.679 45 2HG2 THR 7 2HG2 THR 7 -14.017 6.439 -9.726 46 3HG2 THR 7 3HG2 THR 7 -13.109 5.065 -9.096 47 H TRP 8 HN TRP 8 -11.484 3.937 -9.102 48 HA TRP 8 HA TRP 8 -8.921 3.839 -10.511 49 1HB TRP 8 HB2 TRP 8 -9.981 1.762 -8.597 50 2HB TRP 8 HB1 TRP 8 -8.730 1.414 -9.788 51 HD1 TRP 8 HD1 TRP 8 -9.252 4.068 -6.996 52 HE1 TRP 8 HE1 TRP 8 -6.997 4.412 -5.823 53 HE3 TRP 8 HE3 TRP 8 -6.405 0.860 -9.767 54 HZ2 TRP 8 HZ2 TRP 8 -4.334 3.439 -6.043 55 HZ3 TRP 8 HZ3 TRP 8 -4.033 0.627 -9.213 56 HH2 TRP 8 HH2 TRP 8 -3.012 1.871 -7.409 57 H LYS 9 HN LYS 9 -8.891 1.651 -11.800 58 HA LYS 9 HA LYS 9 -11.510 0.970 -12.892 59 1HB LYS 9 HB2 LYS 9 -9.341 1.594 -14.853 60 2HB LYS 9 HB1 LYS 9 -11.083 1.592 -15.083 61 1HG LYS 9 HG2 LYS 9 -11.295 3.665 -13.887 62 2HG LYS 9 HG1 LYS 9 -9.579 3.641 -13.475 63 1HD LYS 9 HD2 LYS 9 -9.840 5.145 -15.303 64 2HD LYS 9 HD1 LYS 9 -9.088 3.681 -15.939 65 1HE LYS 9 HE2 LYS 9 -11.539 2.967 -16.444 66 2HE LYS 9 HE1 LYS 9 -11.880 4.691 -16.299 67 1HZ LYS 9 HZ1 LYS 9 -10.974 3.389 -18.532 68 2HZ LYS 9 HZ2 LYS 9 -9.609 4.200 -17.951 69 3HZ LYS 9 HZ3 LYS 9 -11.020 5.064 -18.296 70 H GLU 10 HN GLU 10 -9.000 -0.174 -11.451 71 HA GLU 10 HA GLU 10 -7.941 -2.124 -13.203 72 1HB GLU 10 HB2 GLU 10 -6.975 -3.116 -11.138 73 2HB GLU 10 HB1 GLU 10 -6.616 -1.412 -11.346 74 1HG GLU 10 HG2 GLU 10 -8.690 -1.052 -9.828 75 2HG GLU 10 HG1 GLU 10 -8.423 -2.734 -9.376 76 H LYS 11 HN LYS 11 -8.434 -4.193 -13.566 77 HA LYS 11 HA LYS 11 -11.073 -5.095 -13.100 78 1HB LYS 11 HB2 LYS 11 -10.213 -7.239 -14.096 79 2HB LYS 11 HB1 LYS 11 -9.925 -5.810 -15.075 80 1HG LYS 11 HG2 LYS 11 -7.687 -5.942 -14.863 81 2HG LYS 11 HG1 LYS 11 -7.766 -6.559 -13.213 82 1HD LYS 11 HD2 LYS 11 -7.302 -8.580 -14.025 83 2HD LYS 11 HD1 LYS 11 -8.878 -8.565 -14.816 84 1HE LYS 11 HE2 LYS 11 -6.780 -7.077 -16.230 85 2HE LYS 11 HE1 LYS 11 -6.492 -8.811 -16.103 86 1HZ LYS 11 HZ1 LYS 11 -7.798 -8.933 -17.894 87 2HZ LYS 11 HZ2 LYS 11 -8.437 -7.383 -17.676 88 3HZ LYS 11 HZ3 LYS 11 -9.090 -8.693 -16.827 89 H ASP 12 HN ASP 12 -10.409 -7.923 -12.518 90 HA ASP 12 HA ASP 12 -9.614 -7.701 -9.703 91 1HB ASP 12 HB2 ASP 12 -11.401 -9.359 -9.145 92 2HB ASP 12 HB1 ASP 12 -12.019 -7.799 -9.680 93 H GLY 13 HN GLY 13 -8.324 -8.707 -12.254 94 1HA GLY 13 HA2 GLY 13 -8.017 -11.551 -11.628 95 2HA GLY 13 HA1 GLY 13 -7.425 -10.736 -13.069 96 H ALA 14 HN ALA 14 -5.446 -11.957 -12.581 97 HA ALA 14 HA ALA 14 -3.922 -11.405 -10.252 98 1HB ALA 14 HB1 ALA 14 -3.647 -13.014 -12.629 99 2HB ALA 14 HB2 ALA 14 -2.936 -13.236 -11.030 100 3HB ALA 14 HB3 ALA 14 -2.128 -12.217 -12.222 101 H VAL 15 HN VAL 15 -1.415 -10.789 -10.984 102 HA VAL 15 HA VAL 15 -1.515 -7.952 -11.362 103 HB VAL 15 HB VAL 15 0.226 -9.009 -9.986 104 1HG1 VAL 15 1HG1 VAL 15 1.439 -9.957 -12.570 105 2HG1 VAL 15 2HG1 VAL 15 0.555 -10.992 -11.450 106 3HG1 VAL 15 3HG1 VAL 15 2.056 -10.220 -10.939 107 1HG2 VAL 15 1HG2 VAL 15 1.463 -7.208 -10.328 108 2HG2 VAL 15 2HG2 VAL 15 0.516 -6.889 -11.775 109 3HG2 VAL 15 3HG2 VAL 15 2.015 -7.808 -11.889 110 H GLU 16 HN GLU 16 -0.658 -6.736 -13.137 111 HA GLU 16 HA GLU 16 -0.123 -8.239 -15.571 112 1HB GLU 16 HB2 GLU 16 -2.336 -6.305 -15.147 113 2HB GLU 16 HB1 GLU 16 -1.460 -6.189 -16.665 114 1HG GLU 16 HG2 GLU 16 -1.938 -8.891 -16.397 115 2HG GLU 16 HG1 GLU 16 -3.411 -8.144 -15.783 116 H ALA 17 HN ALA 17 0.858 -6.878 -17.223 117 HA ALA 17 HA ALA 17 3.229 -5.940 -16.881 118 1HB ALA 17 HB1 ALA 17 1.341 -4.127 -18.369 119 2HB ALA 17 HB2 ALA 17 1.949 -5.658 -18.997 120 3HB ALA 17 HB3 ALA 17 3.070 -4.343 -18.646 121 H GLU 18 HN GLU 18 0.881 -3.230 -16.701 122 HA GLU 18 HA GLU 18 2.536 -2.151 -14.506 123 1HB GLU 18 HB2 GLU 18 0.927 -0.546 -16.488 124 2HB GLU 18 HB1 GLU 18 2.074 0.069 -15.308 125 1HG GLU 18 HG2 GLU 18 3.732 -1.514 -16.609 126 2HG GLU 18 HG1 GLU 18 2.559 -1.279 -17.904 127 H ASP 19 HN ASP 19 1.020 -3.445 -13.118 128 HA ASP 19 HA ASP 19 -1.627 -2.224 -12.771 129 1HB ASP 19 HB2 ASP 19 -0.374 -4.738 -11.676 130 2HB ASP 19 HB1 ASP 19 -1.987 -4.184 -11.258 131 H ARG 20 HN ARG 20 -2.220 -2.714 -10.204 132 HA ARG 20 HA ARG 20 -0.206 -1.574 -8.444 133 1HB ARG 20 HB2 ARG 20 -2.646 -0.165 -9.315 134 2HB ARG 20 HB1 ARG 20 -2.396 -0.182 -7.581 135 1HG ARG 20 HG2 ARG 20 -0.034 0.569 -9.150 136 2HG ARG 20 HG1 ARG 20 -1.394 1.678 -9.279 137 1HD ARG 20 HD2 ARG 20 -1.488 1.799 -6.819 138 2HD ARG 20 HD1 ARG 20 -0.080 0.759 -6.726 139 HE ARG 20 HE ARG 20 1.250 2.526 -7.473 140 1HH1 ARG 20 1HH1 ARG 20 -2.105 3.475 -7.232 141 2HH1 ARG 20 2HH1 ARG 20 -1.763 5.160 -7.400 142 1HH2 ARG 20 1HH2 ARG 20 1.689 4.742 -7.705 143 2HH2 ARG 20 2HH2 ARG 20 0.383 5.880 -7.670 144 H VAL 21 HN VAL 21 -0.143 -3.076 -6.842 145 HA VAL 21 HA VAL 21 -2.554 -4.579 -6.161 146 HB VAL 21 HB VAL 21 -1.074 -6.024 -4.856 147 1HG1 VAL 21 1HG1 VAL 21 0.169 -5.541 -7.558 148 2HG1 VAL 21 2HG1 VAL 21 -1.365 -6.374 -7.319 149 3HG1 VAL 21 3HG1 VAL 21 0.121 -7.056 -6.650 150 1HG2 VAL 21 1HG2 VAL 21 0.536 -3.884 -4.567 151 2HG2 VAL 21 2HG2 VAL 21 1.398 -4.757 -5.832 152 3HG2 VAL 21 3HG2 VAL 21 1.046 -5.547 -4.297 153 H THR 22 HN THR 22 -2.723 -5.145 -3.728 154 HA THR 22 HA THR 22 -2.270 -2.715 -2.117 155 HB THR 22 HB THR 22 -4.598 -4.641 -1.916 156 HG1 THR 22 HG1 THR 22 -5.105 -3.348 -3.561 157 1HG2 THR 22 1HG2 THR 22 -4.993 -3.856 0.105 158 2HG2 THR 22 2HG2 THR 22 -5.089 -2.220 -0.550 159 3HG2 THR 22 3HG2 THR 22 -3.541 -2.854 0.019 160 H ILE 23 HN ILE 23 -0.679 -3.170 -0.714 161 HA ILE 23 HA ILE 23 -0.683 -5.844 0.535 162 HB ILE 23 HB ILE 23 1.743 -5.798 0.592 163 1HG1 ILE 23 2HG1 ILE 23 1.475 -3.180 -0.886 164 2HG1 ILE 23 1HG1 ILE 23 2.098 -3.409 0.746 165 1HG2 ILE 23 1HG2 ILE 23 2.048 -6.566 -1.527 166 2HG2 ILE 23 2HG2 ILE 23 1.244 -5.173 -2.258 167 3HG2 ILE 23 3HG2 ILE 23 0.286 -6.457 -1.532 168 1HD1 ILE 23 1HD1 ILE 23 4.125 -3.792 -0.022 169 2HD1 ILE 23 2HD1 ILE 23 3.541 -3.362 -1.628 170 3HD1 ILE 23 3HD1 ILE 23 3.530 -5.043 -1.108 171 H ASP 24 HN ASP 24 0.177 -6.023 2.614 172 HA ASP 24 HA ASP 24 0.375 -3.524 4.178 173 1HB ASP 24 HB2 ASP 24 -0.649 -4.701 6.074 174 2HB ASP 24 HB1 ASP 24 -1.737 -4.738 4.692 175 H PHE 25 HN PHE 25 2.405 -3.353 5.109 176 HA PHE 25 HA PHE 25 3.795 -5.847 5.776 177 1HB PHE 25 HB2 PHE 25 5.798 -5.234 4.632 178 2HB PHE 25 HB1 PHE 25 4.461 -5.115 3.494 179 HD1 PHE 25 HD1 PHE 25 4.197 -3.208 2.224 180 HD2 PHE 25 HD2 PHE 25 6.523 -3.030 5.789 181 HE1 PHE 25 HE1 PHE 25 4.819 -0.890 1.716 182 HE2 PHE 25 HE2 PHE 25 7.140 -0.700 5.269 183 HZ PHE 25 HZ PHE 25 6.277 0.363 3.222 184 H THR 26 HN THR 26 5.855 -5.489 6.938 185 HA THR 26 HA THR 26 6.049 -3.014 8.458 186 HB THR 26 HB THR 26 5.811 -5.620 9.950 187 HG1 THR 26 HG1 THR 26 3.779 -5.524 9.446 188 1HG2 THR 26 1HG2 THR 26 5.369 -2.802 10.895 189 2HG2 THR 26 2HG2 THR 26 6.869 -3.705 11.108 190 3HG2 THR 26 3HG2 THR 26 5.382 -4.272 11.871 191 H GLY 27 HN GLY 27 8.156 -2.505 8.400 192 1HA GLY 27 HA2 GLY 27 10.143 -4.468 9.172 193 2HA GLY 27 HA1 GLY 27 10.250 -3.956 7.502 194 H SER 28 HN SER 28 12.391 -3.564 8.994 195 HA SER 28 HA SER 28 12.348 -0.730 9.788 196 1HB SER 28 HB2 SER 28 14.695 -1.529 10.778 197 2HB SER 28 HB1 SER 28 13.188 -1.769 11.666 198 HG SER 28 HG SER 28 14.429 -3.685 11.564 199 H VAL 29 HN VAL 29 14.560 0.325 9.501 200 HA VAL 29 HA VAL 29 15.586 -0.318 6.837 201 HB VAL 29 HB VAL 29 14.481 1.747 6.594 202 1HG1 VAL 29 1HG1 VAL 29 14.164 3.302 8.157 203 2HG1 VAL 29 2HG1 VAL 29 15.861 3.324 8.628 204 3HG1 VAL 29 3HG1 VAL 29 14.782 2.094 9.278 205 1HG2 VAL 29 1HG2 VAL 29 17.410 1.804 6.627 206 2HG2 VAL 29 2HG2 VAL 29 16.650 3.392 6.686 207 3HG2 VAL 29 3HG2 VAL 29 16.272 2.282 5.370 208 H ASP 30 HN ASP 30 16.740 1.697 9.559 209 HA ASP 30 HA ASP 30 19.384 0.522 9.176 210 1HB ASP 30 HB2 ASP 30 18.596 3.122 9.638 211 2HB ASP 30 HB1 ASP 30 19.127 2.593 11.231 212 H GLY 31 HN GLY 31 17.393 -1.136 10.283 213 1HA GLY 31 HA2 GLY 31 17.687 -2.798 11.951 214 2HA GLY 31 HA1 GLY 31 18.596 -1.637 12.911 215 H GLU 32 HN GLU 32 16.280 0.291 12.066 216 HA GLU 32 HA GLU 32 14.248 -0.688 13.941 217 1HB GLU 32 HB2 GLU 32 15.367 2.121 13.946 218 2HB GLU 32 HB1 GLU 32 14.095 1.508 14.993 219 1HG GLU 32 HG2 GLU 32 16.902 0.429 14.964 220 2HG GLU 32 HG1 GLU 32 16.341 1.696 16.055 221 H GLU 33 HN GLU 33 12.230 -0.444 13.197 222 HA GLU 33 HA GLU 33 11.698 0.401 10.602 223 1HB GLU 33 HB2 GLU 33 9.325 0.152 11.213 224 2HB GLU 33 HB1 GLU 33 10.290 -1.221 11.724 225 1HG GLU 33 HG2 GLU 33 10.091 -0.703 13.953 226 2HG GLU 33 HG1 GLU 33 9.753 0.998 13.639 227 H PHE 34 HN PHE 34 11.533 2.332 9.767 228 HA PHE 34 HA PHE 34 11.437 4.673 11.405 229 1HB PHE 34 HB2 PHE 34 11.895 5.863 9.340 230 2HB PHE 34 HB1 PHE 34 12.975 4.488 9.500 231 HD1 PHE 34 HD1 PHE 34 12.087 2.270 8.284 232 HD2 PHE 34 HD2 PHE 34 10.930 6.247 7.289 233 HE1 PHE 34 HE1 PHE 34 11.441 1.520 6.037 234 HE2 PHE 34 HE2 PHE 34 10.281 5.495 5.040 235 HZ PHE 34 HZ PHE 34 10.537 3.130 4.413 236 H GLU 35 HN GLU 35 10.076 5.910 8.917 237 HA GLU 35 HA GLU 35 7.509 6.235 10.099 238 1HB GLU 35 HB2 GLU 35 8.683 7.096 7.455 239 2HB GLU 35 HB1 GLU 35 7.027 7.457 7.918 240 1HG GLU 35 HG2 GLU 35 7.672 8.926 9.580 241 2HG GLU 35 HG1 GLU 35 9.290 8.232 9.705 242 H GLY 36 HN GLY 36 8.562 4.876 6.980 243 1HA GLY 36 HA2 GLY 36 5.999 3.614 6.543 244 2HA GLY 36 HA1 GLY 36 7.405 3.516 5.496 245 H GLY 37 HN GLY 37 8.275 2.792 8.661 246 1HA GLY 37 HA2 GLY 37 8.990 0.162 8.102 247 2HA GLY 37 HA1 GLY 37 8.827 0.843 9.711 248 H LYS 38 HN LYS 38 5.872 1.342 8.560 249 HA LYS 38 HA LYS 38 4.859 -1.361 8.768 250 1HB LYS 38 HB2 LYS 38 3.243 -0.746 10.553 251 2HB LYS 38 HB1 LYS 38 4.914 -0.758 11.095 252 1HG LYS 38 HG2 LYS 38 4.973 1.489 11.432 253 2HG LYS 38 HG1 LYS 38 3.791 1.823 10.166 254 1HD LYS 38 HD2 LYS 38 2.693 0.262 12.372 255 2HD LYS 38 HD1 LYS 38 3.306 1.837 12.879 256 1HE LYS 38 HE2 LYS 38 1.640 2.934 11.862 257 2HE LYS 38 HE1 LYS 38 1.751 1.939 10.412 258 1HZ LYS 38 HZ1 LYS 38 0.626 0.171 11.899 259 2HZ LYS 38 HZ2 LYS 38 -0.317 1.403 11.227 260 3HZ LYS 38 HZ3 LYS 38 0.159 1.492 12.847 261 H ALA 39 HN ALA 39 3.442 -1.583 7.208 262 HA ALA 39 HA ALA 39 1.647 0.646 6.549 263 1HB ALA 39 HB1 ALA 39 3.557 -0.746 4.767 264 2HB ALA 39 HB2 ALA 39 2.934 0.901 4.697 265 3HB ALA 39 HB3 ALA 39 1.947 -0.440 4.109 266 H SER 40 HN SER 40 -0.409 0.055 5.872 267 HA SER 40 HA SER 40 -1.044 -2.802 6.195 268 1HB SER 40 HB2 SER 40 -2.940 -0.498 6.679 269 2HB SER 40 HB1 SER 40 -3.176 -2.192 7.107 270 HG SER 40 HG SER 40 -1.489 -0.276 8.289 271 H ASP 41 HN ASP 41 -2.345 0.142 4.625 272 HA ASP 41 HA ASP 41 -3.266 -1.512 2.415 273 1HB ASP 41 HB2 ASP 41 -4.084 1.276 3.273 274 2HB ASP 41 HB1 ASP 41 -4.670 0.464 1.826 275 H PHE 42 HN PHE 42 -0.883 -1.536 1.869 276 HA PHE 42 HA PHE 42 0.101 0.997 0.812 277 1HB PHE 42 HB2 PHE 42 1.603 -0.557 2.124 278 2HB PHE 42 HB1 PHE 42 1.508 -1.674 0.772 279 HD1 PHE 42 HD1 PHE 42 3.750 -1.704 0.027 280 HD2 PHE 42 HD2 PHE 42 1.745 2.015 0.604 281 HE1 PHE 42 HE1 PHE 42 5.612 -0.525 -1.067 282 HE2 PHE 42 HE2 PHE 42 3.608 3.192 -0.485 283 HZ PHE 42 HZ PHE 42 5.545 1.924 -1.320 284 H VAL 43 HN VAL 43 -0.652 1.536 -1.124 285 HA VAL 43 HA VAL 43 -1.387 -0.504 -3.038 286 HB VAL 43 HB VAL 43 -1.492 2.495 -3.332 287 1HG1 VAL 43 1HG1 VAL 43 -2.536 2.184 -5.299 288 2HG1 VAL 43 2HG1 VAL 43 -3.437 0.785 -4.717 289 3HG1 VAL 43 3HG1 VAL 43 -1.767 0.597 -5.260 290 1HG2 VAL 43 1HG2 VAL 43 -3.235 2.559 -1.955 291 2HG2 VAL 43 2HG2 VAL 43 -2.963 0.861 -1.567 292 3HG2 VAL 43 3HG2 VAL 43 -4.052 1.300 -2.882 293 H LEU 44 HN LEU 44 0.451 -1.415 -3.806 294 HA LEU 44 HA LEU 44 2.649 0.218 -4.759 295 1HB LEU 44 HB2 LEU 44 2.419 -2.327 -3.663 296 2HB LEU 44 HB1 LEU 44 2.796 -2.622 -5.349 297 HG LEU 44 HG LEU 44 4.438 -1.108 -3.335 298 1HD1 LEU 44 1HD1 LEU 44 5.942 -2.825 -3.504 299 2HD1 LEU 44 2HD1 LEU 44 5.369 -3.334 -5.084 300 3HD1 LEU 44 3HD1 LEU 44 4.420 -3.689 -3.642 301 1HD2 LEU 44 1HD2 LEU 44 4.807 0.231 -5.171 302 2HD2 LEU 44 2HD2 LEU 44 4.533 -1.080 -6.318 303 3HD2 LEU 44 3HD2 LEU 44 6.037 -1.010 -5.401 304 H ALA 45 HN ALA 45 3.296 0.389 -6.876 305 HA ALA 45 HA ALA 45 1.306 -0.425 -8.882 306 1HB ALA 45 HB1 ALA 45 3.340 1.784 -8.841 307 2HB ALA 45 HB2 ALA 45 1.591 1.897 -9.015 308 3HB ALA 45 HB3 ALA 45 2.561 1.259 -10.332 309 H MET 46 HN MET 46 1.877 -2.383 -9.717 310 HA MET 46 HA MET 46 4.550 -3.279 -9.926 311 1HB MET 46 HB2 MET 46 1.939 -4.342 -10.388 312 2HB MET 46 HB1 MET 46 2.946 -4.691 -11.788 313 1HG MET 46 HG2 MET 46 3.611 -5.337 -8.931 314 2HG MET 46 HG1 MET 46 3.037 -6.473 -10.146 315 1HE MET 46 HE1 MET 46 5.967 -6.358 -12.750 316 2HE MET 46 HE2 MET 46 4.287 -5.826 -12.664 317 3HE MET 46 HE3 MET 46 4.719 -7.467 -12.184 318 H GLY 47 HN GLY 47 5.474 -1.416 -10.957 319 1HA GLY 47 HA2 GLY 47 6.719 -1.055 -12.988 320 2HA GLY 47 HA1 GLY 47 5.339 -1.662 -13.890 321 H GLN 48 HN GLN 48 6.332 1.019 -11.786 322 HA GLN 48 HA GLN 48 4.736 2.816 -13.488 323 1HB GLN 48 HB2 GLN 48 4.158 2.246 -10.834 324 2HB GLN 48 HB1 GLN 48 5.050 3.758 -10.741 325 1HG GLN 48 HG2 GLN 48 2.853 3.516 -12.725 326 2HG GLN 48 HG1 GLN 48 2.446 3.727 -11.024 327 1HE2 GLN 48 1HE2 GLN 48 2.875 5.664 -10.022 328 2HE2 GLN 48 2HE2 GLN 48 3.343 7.086 -10.885 329 H GLY 49 HN GLY 49 6.968 3.171 -10.743 330 1HA GLY 49 HA2 GLY 49 8.441 5.197 -12.263 331 2HA GLY 49 HA1 GLY 49 8.571 4.903 -10.533 332 H ARG 50 HN ARG 50 9.150 2.330 -10.281 333 HA ARG 50 HA ARG 50 10.908 1.121 -12.050 334 1HB ARG 50 HB2 ARG 50 13.102 1.636 -11.122 335 2HB ARG 50 HB1 ARG 50 12.335 3.097 -11.724 336 1HG ARG 50 HG2 ARG 50 12.637 4.062 -9.760 337 2HG ARG 50 HG1 ARG 50 11.626 2.834 -9.000 338 1HD ARG 50 HD2 ARG 50 13.987 3.129 -8.087 339 2HD ARG 50 HD1 ARG 50 13.470 1.491 -8.465 340 HE ARG 50 HE ARG 50 15.149 3.086 -10.287 341 1HH1 ARG 50 1HH1 ARG 50 14.443 0.083 -8.632 342 2HH1 ARG 50 2HH1 ARG 50 15.735 -0.776 -9.399 343 1HH2 ARG 50 1HH2 ARG 50 16.841 1.947 -11.281 344 2HH2 ARG 50 2HH2 ARG 50 17.093 0.276 -10.898 345 H MET 51 HN MET 51 9.285 -0.317 -10.886 346 HA MET 51 HA MET 51 9.388 -1.045 -8.247 347 1HB MET 51 HB2 MET 51 7.957 -1.958 -10.249 348 2HB MET 51 HB1 MET 51 9.202 -3.199 -10.316 349 1HG MET 51 HG2 MET 51 7.882 -4.272 -8.869 350 2HG MET 51 HG1 MET 51 8.625 -3.208 -7.676 351 1HE MET 51 HE1 MET 51 5.894 -0.289 -7.670 352 2HE MET 51 HE2 MET 51 7.132 -0.433 -8.918 353 3HE MET 51 HE3 MET 51 7.548 -0.711 -7.227 354 H ILE 52 HN ILE 52 11.135 -1.426 -7.062 355 HA ILE 52 HA ILE 52 13.594 -2.377 -8.116 356 HB ILE 52 HB ILE 52 14.001 -2.838 -5.525 357 1HG1 ILE 52 2HG1 ILE 52 11.811 -0.754 -5.463 358 2HG1 ILE 52 1HG1 ILE 52 11.587 -2.430 -4.971 359 1HG2 ILE 52 1HG2 ILE 52 14.816 -0.570 -5.324 360 2HG2 ILE 52 2HG2 ILE 52 13.822 -0.068 -6.691 361 3HG2 ILE 52 3HG2 ILE 52 15.153 -1.199 -6.937 362 1HD1 ILE 52 1HD1 ILE 52 13.418 -2.064 -3.291 363 2HD1 ILE 52 2HD1 ILE 52 11.927 -1.165 -3.007 364 3HD1 ILE 52 3HD1 ILE 52 13.331 -0.349 -3.694 365 HA PRO 53 HA PRO 53 13.341 -6.761 -7.995 366 1HB PRO 53 HB2 PRO 53 15.508 -7.478 -6.435 367 2HB PRO 53 HB1 PRO 53 15.599 -7.059 -8.149 368 1HG PRO 53 HG2 PRO 53 16.159 -5.364 -5.750 369 2HG PRO 53 HG1 PRO 53 17.038 -5.455 -7.287 370 1HD PRO 53 HD2 PRO 53 15.357 -3.438 -6.762 371 2HD PRO 53 HD1 PRO 53 15.485 -4.126 -8.394 372 H GLY 54 HN GLY 54 13.417 -4.969 -5.046 373 1HA GLY 54 HA2 GLY 54 12.875 -7.136 -3.270 374 2HA GLY 54 HA1 GLY 54 12.695 -5.425 -2.920 375 H PHE 55 HN PHE 55 10.781 -4.441 -4.332 376 HA PHE 55 HA PHE 55 8.452 -5.702 -3.343 377 1HB PHE 55 HB2 PHE 55 8.880 -3.343 -5.170 378 2HB PHE 55 HB1 PHE 55 7.271 -3.916 -4.755 379 HD1 PHE 55 HD1 PHE 55 6.885 -4.195 -2.120 380 HD2 PHE 55 HD2 PHE 55 9.756 -1.636 -3.938 381 HE1 PHE 55 HE1 PHE 55 6.918 -2.823 -0.103 382 HE2 PHE 55 HE2 PHE 55 9.788 -0.240 -1.910 383 HZ PHE 55 HZ PHE 55 8.364 -0.831 0.007 384 H GLU 56 HN GLU 56 9.824 -5.308 -6.578 385 HA GLU 56 HA GLU 56 7.799 -6.485 -8.067 386 1HB GLU 56 HB2 GLU 56 10.047 -5.349 -8.784 387 2HB GLU 56 HB1 GLU 56 10.672 -6.991 -8.748 388 1HG GLU 56 HG2 GLU 56 8.995 -7.682 -10.367 389 2HG GLU 56 HG1 GLU 56 8.328 -6.050 -10.384 390 H ASP 57 HN ASP 57 9.975 -7.914 -5.827 391 HA ASP 57 HA ASP 57 9.815 -10.583 -6.869 392 1HB ASP 57 HB2 ASP 57 11.302 -9.216 -4.834 393 2HB ASP 57 HB1 ASP 57 10.553 -10.644 -4.131 394 H GLY 58 HN GLY 58 8.940 -9.575 -3.566 395 1HA GLY 58 HA2 GLY 58 7.039 -11.636 -3.283 396 2HA GLY 58 HA1 GLY 58 7.225 -10.257 -2.213 397 H ILE 59 HN ILE 59 6.567 -8.141 -3.675 398 HA ILE 59 HA ILE 59 3.738 -8.411 -3.984 399 HB ILE 59 HB ILE 59 5.442 -5.975 -4.533 400 1HG1 ILE 59 2HG1 ILE 59 4.791 -5.456 -2.090 401 2HG1 ILE 59 1HG1 ILE 59 4.577 -7.178 -1.917 402 1HG2 ILE 59 1HG2 ILE 59 3.132 -5.151 -3.350 403 2HG2 ILE 59 2HG2 ILE 59 2.586 -6.556 -4.265 404 3HG2 ILE 59 3HG2 ILE 59 3.402 -5.229 -5.090 405 1HD1 ILE 59 1HD1 ILE 59 6.873 -5.799 -1.481 406 2HD1 ILE 59 2HD1 ILE 59 7.099 -6.387 -3.121 407 3HD1 ILE 59 3HD1 ILE 59 6.779 -7.524 -1.823 408 H LYS 60 HN LYS 60 5.161 -9.847 -5.792 409 HA LYS 60 HA LYS 60 5.438 -8.728 -8.375 410 1HB LYS 60 HB2 LYS 60 5.014 -11.452 -7.336 411 2HB LYS 60 HB1 LYS 60 4.350 -11.198 -8.945 412 1HG LYS 60 HG2 LYS 60 6.686 -10.152 -9.435 413 2HG LYS 60 HG1 LYS 60 7.183 -11.087 -8.025 414 1HD LYS 60 HD2 LYS 60 6.073 -13.079 -9.185 415 2HD LYS 60 HD1 LYS 60 6.064 -12.071 -10.634 416 1HE LYS 60 HE2 LYS 60 8.222 -12.462 -11.008 417 2HE LYS 60 HE1 LYS 60 8.649 -12.013 -9.356 418 1HZ LYS 60 HZ1 LYS 60 8.325 -14.200 -8.617 419 2HZ LYS 60 HZ2 LYS 60 9.186 -14.357 -10.063 420 3HZ LYS 60 HZ3 LYS 60 7.523 -14.667 -10.034 421 H GLY 61 HN GLY 61 2.705 -10.218 -6.785 422 1HA GLY 61 HA2 GLY 61 0.520 -9.099 -6.730 423 2HA GLY 61 HA1 GLY 61 0.836 -8.590 -8.386 424 H HIS 62 HN HIS 62 1.506 -11.683 -6.943 425 HA HIS 62 HA HIS 62 -0.525 -12.926 -8.702 426 1HB HIS 62 HB2 HIS 62 1.043 -14.838 -8.980 427 2HB HIS 62 HB1 HIS 62 1.656 -13.334 -9.662 428 HD2 HIS 62 HD2 HIS 62 2.231 -13.207 -5.950 429 HE1 HIS 62 HE1 HIS 62 5.757 -14.892 -7.599 430 HE2 HIS 62 HE2 HIS 62 4.726 -13.783 -5.586 431 H LYS 63 HN LYS 63 -0.073 -12.281 -5.633 432 HA LYS 63 HA LYS 63 -1.311 -14.781 -4.760 433 1HB LYS 63 HB2 LYS 63 0.962 -13.469 -3.262 434 2HB LYS 63 HB1 LYS 63 0.084 -14.909 -2.777 435 1HG LYS 63 HG2 LYS 63 1.051 -15.436 -5.350 436 2HG LYS 63 HG1 LYS 63 2.374 -14.670 -4.469 437 1HD LYS 63 HD2 LYS 63 2.555 -17.012 -4.096 438 2HD LYS 63 HD1 LYS 63 1.938 -16.298 -2.606 439 1HE LYS 63 HE2 LYS 63 -0.106 -17.165 -4.540 440 2HE LYS 63 HE1 LYS 63 0.856 -18.459 -3.826 441 1HZ LYS 63 HZ1 LYS 63 0.293 -17.375 -1.618 442 2HZ LYS 63 HZ2 LYS 63 -0.958 -18.190 -2.406 443 3HZ LYS 63 HZ3 LYS 63 -0.889 -16.503 -2.455 444 H ALA 64 HN ALA 64 -3.206 -13.389 -4.840 445 HA ALA 64 HA ALA 64 -3.523 -11.074 -3.289 446 1HB ALA 64 HB1 ALA 64 -5.349 -13.008 -4.596 447 2HB ALA 64 HB2 ALA 64 -5.220 -11.260 -4.793 448 3HB ALA 64 HB3 ALA 64 -6.030 -11.932 -3.378 449 H GLY 65 HN GLY 65 -2.783 -11.264 -1.178 450 1HA GLY 65 HA2 GLY 65 -3.583 -11.511 1.067 451 2HA GLY 65 HA1 GLY 65 -4.464 -12.938 0.558 452 H GLU 66 HN GLU 66 -1.100 -12.315 -0.235 453 HA GLU 66 HA GLU 66 -0.375 -14.711 1.301 454 1HB GLU 66 HB2 GLU 66 0.158 -14.446 -1.193 455 2HB GLU 66 HB1 GLU 66 1.409 -13.325 -0.681 456 1HG GLU 66 HG2 GLU 66 1.709 -15.616 0.910 457 2HG GLU 66 HG1 GLU 66 1.439 -16.188 -0.732 458 H GLU 67 HN GLU 67 1.554 -14.713 2.598 459 HA GLU 67 HA GLU 67 2.322 -12.029 3.546 460 1HB GLU 67 HB2 GLU 67 0.987 -13.376 5.190 461 2HB GLU 67 HB1 GLU 67 2.281 -14.567 5.190 462 1HG GLU 67 HG2 GLU 67 3.016 -11.757 5.763 463 2HG GLU 67 HG1 GLU 67 2.115 -12.635 6.996 464 H PHE 68 HN PHE 68 4.273 -11.597 2.735 465 HA PHE 68 HA PHE 68 6.379 -13.638 3.015 466 1HB PHE 68 HB2 PHE 68 7.257 -12.884 0.780 467 2HB PHE 68 HB1 PHE 68 5.727 -13.755 0.712 468 HD1 PHE 68 HD1 PHE 68 3.748 -12.710 -0.060 469 HD2 PHE 68 HD2 PHE 68 7.289 -10.440 0.540 470 HE1 PHE 68 HE1 PHE 68 2.713 -10.807 -1.217 471 HE2 PHE 68 HE2 PHE 68 6.256 -8.531 -0.622 472 HZ PHE 68 HZ PHE 68 3.965 -8.717 -1.503 473 H THR 69 HN THR 69 8.586 -12.676 2.733 474 HA THR 69 HA THR 69 8.675 -9.886 3.657 475 HB THR 69 HB THR 69 10.499 -12.102 4.606 476 HG1 THR 69 HG1 THR 69 9.338 -12.018 6.512 477 1HG2 THR 69 1HG2 THR 69 10.258 -9.740 6.270 478 2HG2 THR 69 2HG2 THR 69 10.941 -9.395 4.682 479 3HG2 THR 69 3HG2 THR 69 11.695 -10.603 5.720 480 H ILE 70 HN ILE 70 9.922 -8.575 2.429 481 HA ILE 70 HA ILE 70 12.107 -9.850 0.924 482 HB ILE 70 HB ILE 70 11.606 -8.633 -1.082 483 1HG1 ILE 70 2HG1 ILE 70 10.644 -6.613 0.013 484 2HG1 ILE 70 1HG1 ILE 70 9.682 -7.188 -1.343 485 1HG2 ILE 70 1HG2 ILE 70 10.101 -10.723 -0.107 486 2HG2 ILE 70 2HG2 ILE 70 10.159 -10.175 -1.783 487 3HG2 ILE 70 3HG2 ILE 70 8.889 -9.592 -0.708 488 1HD1 ILE 70 1HD1 ILE 70 8.535 -8.487 0.764 489 2HD1 ILE 70 2HD1 ILE 70 7.957 -6.985 0.047 490 3HD1 ILE 70 3HD1 ILE 70 8.993 -6.939 1.472 491 H ASP 71 HN ASP 71 13.632 -8.206 0.016 492 HA ASP 71 HA ASP 71 14.117 -6.159 2.043 493 1HB ASP 71 HB2 ASP 71 15.845 -7.934 1.003 494 2HB ASP 71 HB1 ASP 71 16.031 -6.655 -0.192 495 H VAL 72 HN VAL 72 14.395 -3.946 1.425 496 HA VAL 72 HA VAL 72 13.874 -3.294 -1.365 497 HB VAL 72 HB VAL 72 12.198 -1.513 -0.600 498 1HG1 VAL 72 1HG1 VAL 72 11.572 -3.383 -1.995 499 2HG1 VAL 72 2HG1 VAL 72 10.310 -3.076 -0.800 500 3HG1 VAL 72 3HG1 VAL 72 11.426 -4.427 -0.582 501 1HG2 VAL 72 1HG2 VAL 72 11.890 -3.422 1.711 502 2HG2 VAL 72 2HG2 VAL 72 10.920 -1.990 1.377 503 3HG2 VAL 72 3HG2 VAL 72 12.619 -1.819 1.811 504 H THR 73 HN THR 73 14.965 -1.529 -2.025 505 HA THR 73 HA THR 73 15.798 0.473 -0.114 506 HB THR 73 HB THR 73 17.683 -1.336 -1.614 507 HG1 THR 73 HG1 THR 73 18.678 -1.444 0.369 508 1HG2 THR 73 1HG2 THR 73 18.735 0.541 -2.322 509 2HG2 THR 73 2HG2 THR 73 19.429 0.426 -0.706 510 3HG2 THR 73 3HG2 THR 73 18.091 1.534 -1.015 511 H PHE 74 HN PHE 74 15.421 2.396 -1.063 512 HA PHE 74 HA PHE 74 14.826 2.430 -3.881 513 1HB PHE 74 HB2 PHE 74 14.564 4.462 -1.688 514 2HB PHE 74 HB1 PHE 74 14.198 4.828 -3.373 515 HD1 PHE 74 HD1 PHE 74 13.458 2.073 -0.946 516 HD2 PHE 74 HD2 PHE 74 12.001 4.726 -3.922 517 HE1 PHE 74 HE1 PHE 74 11.203 1.110 -0.696 518 HE2 PHE 74 HE2 PHE 74 9.743 3.783 -3.680 519 HZ PHE 74 HZ PHE 74 9.340 1.976 -2.062 520 HA PRO 75 HA PRO 75 18.930 3.723 -5.020 521 1HB PRO 75 HB2 PRO 75 18.345 4.485 -7.579 522 2HB PRO 75 HB1 PRO 75 18.577 2.806 -7.084 523 1HG PRO 75 HG2 PRO 75 16.033 4.323 -7.500 524 2HG PRO 75 HG1 PRO 75 16.436 2.661 -7.968 525 1HD PRO 75 HD2 PRO 75 14.942 3.220 -5.797 526 2HD PRO 75 HD1 PRO 75 16.057 1.837 -5.845 527 H GLU 76 HN GLU 76 19.906 5.665 -6.224 528 HA GLU 76 HA GLU 76 19.073 8.032 -4.865 529 1HB GLU 76 HB2 GLU 76 21.325 7.212 -6.578 530 2HB GLU 76 HB1 GLU 76 20.901 8.914 -6.680 531 1HG GLU 76 HG2 GLU 76 22.552 8.765 -5.024 532 2HG GLU 76 HG1 GLU 76 21.030 8.967 -4.159 533 H GLU 77 HN GLU 77 18.109 6.603 -7.778 534 HA GLU 77 HA GLU 77 17.475 9.099 -9.107 535 1HB GLU 77 HB2 GLU 77 16.411 7.541 -10.811 536 2HB GLU 77 HB1 GLU 77 18.150 7.399 -10.595 537 1HG GLU 77 HG2 GLU 77 17.998 5.348 -9.579 538 2HG GLU 77 HG1 GLU 77 16.343 5.621 -9.032 539 H TYR 78 HN TYR 78 15.857 6.651 -7.205 540 HA TYR 78 HA TYR 78 13.190 7.420 -7.829 541 1HB TYR 78 HB2 TYR 78 14.089 5.257 -6.668 542 2HB TYR 78 HB1 TYR 78 13.963 6.201 -5.192 543 HD1 TYR 78 HD1 TYR 78 12.249 4.133 -7.484 544 HD2 TYR 78 HD2 TYR 78 11.647 7.270 -4.673 545 HE1 TYR 78 HE1 TYR 78 9.866 3.551 -7.359 546 HE2 TYR 78 HE2 TYR 78 9.261 6.697 -4.541 547 HH TYR 78 HH TYR 78 7.754 4.558 -6.744 548 H HIS 79 HN HIS 79 14.886 7.786 -4.743 549 HA HIS 79 HA HIS 79 14.486 9.223 -3.017 550 1HB HIS 79 HB2 HIS 79 15.409 10.817 -5.364 551 2HB HIS 79 HB1 HIS 79 15.090 11.623 -3.829 552 HD2 HIS 79 HD2 HIS 79 16.589 8.133 -3.375 553 HE1 HIS 79 HE1 HIS 79 19.768 10.917 -2.969 554 HE2 HIS 79 HE2 HIS 79 19.071 8.507 -2.743 555 H ALA 80 HN ALA 80 12.147 8.761 -2.893 556 HA ALA 80 HA ALA 80 10.352 10.754 -3.989 557 1HB ALA 80 HB1 ALA 80 9.050 9.125 -2.053 558 2HB ALA 80 HB2 ALA 80 10.092 8.097 -3.036 559 3HB ALA 80 HB3 ALA 80 8.873 9.109 -3.808 560 H GLU 81 HN GLU 81 9.219 12.277 -2.803 561 HA GLU 81 HA GLU 81 10.505 13.656 -0.819 562 1HB GLU 81 HB2 GLU 81 8.402 14.828 -0.432 563 2HB GLU 81 HB1 GLU 81 8.674 14.573 -2.150 564 1HG GLU 81 HG2 GLU 81 7.231 12.362 -1.486 565 2HG GLU 81 HG1 GLU 81 6.548 13.578 -0.407 566 H ASN 82 HN ASN 82 8.427 10.863 -0.388 567 HA ASN 82 HA ASN 82 8.270 11.364 2.480 568 1HB ASN 82 HB2 ASN 82 6.773 9.357 2.488 569 2HB ASN 82 HB1 ASN 82 6.212 10.693 1.487 570 1HD2 ASN 82 1HD2 ASN 82 8.021 7.669 1.336 571 2HD2 ASN 82 2HD2 ASN 82 7.491 7.222 -0.244 572 H LEU 83 HN LEU 83 9.763 8.979 0.304 573 HA LEU 83 HA LEU 83 11.255 8.007 2.643 574 1HB LEU 83 HB2 LEU 83 10.876 5.769 2.214 575 2HB LEU 83 HB1 LEU 83 9.314 6.508 1.964 576 HG LEU 83 HG LEU 83 9.338 5.114 0.170 577 1HD1 LEU 83 1HD1 LEU 83 9.558 7.610 -0.630 578 2HD1 LEU 83 2HD1 LEU 83 9.544 6.273 -1.775 579 3HD1 LEU 83 3HD1 LEU 83 11.071 7.020 -1.312 580 1HD2 LEU 83 1HD2 LEU 83 11.169 4.128 -0.802 581 2HD2 LEU 83 2HD2 LEU 83 11.669 4.338 0.867 582 3HD2 LEU 83 3HD2 LEU 83 12.251 5.441 -0.380 583 H LYS 84 HN LYS 84 11.812 9.688 0.151 584 HA LYS 84 HA LYS 84 13.367 8.679 -1.744 585 1HB LYS 84 HB2 LYS 84 14.871 10.668 -1.549 586 2HB LYS 84 HB1 LYS 84 13.157 11.043 -1.576 587 1HG LYS 84 HG2 LYS 84 13.344 12.144 0.330 588 2HG LYS 84 HG1 LYS 84 13.960 10.696 1.132 589 1HD LYS 84 HD2 LYS 84 16.222 11.276 0.168 590 2HD LYS 84 HD1 LYS 84 15.529 12.827 -0.308 591 1HE LYS 84 HE2 LYS 84 15.569 13.626 1.790 592 2HE LYS 84 HE1 LYS 84 15.041 12.093 2.486 593 1HZ LYS 84 HZ1 LYS 84 17.554 11.544 1.656 594 2HZ LYS 84 HZ2 LYS 84 17.124 11.963 3.236 595 3HZ LYS 84 HZ3 LYS 84 17.700 13.147 2.176 596 H GLY 85 HN GLY 85 14.992 7.354 -1.980 597 1HA GLY 85 HA2 GLY 85 16.792 6.012 -1.524 598 2HA GLY 85 HA1 GLY 85 17.435 7.418 -0.697 599 H LYS 86 HN LYS 86 14.774 5.135 0.018 600 HA LYS 86 HA LYS 86 15.842 4.938 2.737 601 1HB LYS 86 HB2 LYS 86 13.275 5.310 1.893 602 2HB LYS 86 HB1 LYS 86 13.304 3.579 2.186 603 1HG LYS 86 HG2 LYS 86 12.920 4.046 4.317 604 2HG LYS 86 HG1 LYS 86 14.571 4.659 4.397 605 1HD LYS 86 HD2 LYS 86 12.144 6.300 3.668 606 2HD LYS 86 HD1 LYS 86 12.908 6.271 5.260 607 1HE LYS 86 HE2 LYS 86 15.053 6.827 3.759 608 2HE LYS 86 HE1 LYS 86 13.804 7.537 2.737 609 1HZ LYS 86 HZ1 LYS 86 14.984 8.718 4.894 610 2HZ LYS 86 HZ2 LYS 86 13.478 8.233 5.492 611 3HZ LYS 86 HZ3 LYS 86 13.563 9.234 4.130 612 H ALA 87 HN ALA 87 17.529 3.479 2.449 613 HA ALA 87 HA ALA 87 17.080 0.908 1.220 614 1HB ALA 87 HB1 ALA 87 19.292 1.415 0.977 615 2HB ALA 87 HB2 ALA 87 19.394 0.535 2.502 616 3HB ALA 87 HB3 ALA 87 19.371 2.299 2.500 617 H ALA 88 HN ALA 88 15.486 -0.183 2.339 618 HA ALA 88 HA ALA 88 16.129 -0.855 5.127 619 1HB ALA 88 HB1 ALA 88 14.315 0.969 4.717 620 2HB ALA 88 HB2 ALA 88 14.069 -0.268 5.949 621 3HB ALA 88 HB3 ALA 88 13.285 -0.421 4.377 622 H LYS 89 HN LYS 89 14.175 -2.355 5.852 623 HA LYS 89 HA LYS 89 13.986 -4.619 3.977 624 1HB LYS 89 HB2 LYS 89 15.622 -5.309 5.570 625 2HB LYS 89 HB1 LYS 89 14.719 -4.621 6.908 626 1HG LYS 89 HG2 LYS 89 12.970 -6.481 5.889 627 2HG LYS 89 HG1 LYS 89 14.542 -7.254 5.684 628 1HD LYS 89 HD2 LYS 89 13.528 -7.801 7.852 629 2HD LYS 89 HD1 LYS 89 15.041 -6.913 8.040 630 1HE LYS 89 HE2 LYS 89 13.959 -4.963 8.706 631 2HE LYS 89 HE1 LYS 89 12.422 -5.461 7.998 632 1HZ LYS 89 HZ1 LYS 89 13.451 -5.938 10.622 633 2HZ LYS 89 HZ2 LYS 89 12.946 -7.371 9.877 634 3HZ LYS 89 HZ3 LYS 89 11.867 -6.079 10.045 635 H PHE 90 HN PHE 90 11.947 -5.635 3.962 636 HA PHE 90 HA PHE 90 9.946 -4.636 5.868 637 1HB PHE 90 HB2 PHE 90 9.515 -4.785 2.882 638 2HB PHE 90 HB1 PHE 90 8.257 -4.491 4.070 639 HD1 PHE 90 HD1 PHE 90 8.329 -2.772 1.957 640 HD2 PHE 90 HD2 PHE 90 10.764 -2.661 5.420 641 HE1 PHE 90 HE1 PHE 90 8.596 -0.328 1.687 642 HE2 PHE 90 HE2 PHE 90 11.054 -0.232 5.165 643 HZ PHE 90 HZ PHE 90 9.964 0.940 3.292 644 H ALA 91 HN ALA 91 8.072 -6.003 6.107 645 HA ALA 91 HA ALA 91 8.309 -8.659 4.890 646 1HB ALA 91 HB1 ALA 91 7.496 -9.660 6.921 647 2HB ALA 91 HB2 ALA 91 7.224 -8.079 7.654 648 3HB ALA 91 HB3 ALA 91 8.869 -8.642 7.361 649 H ILE 92 HN ILE 92 6.823 -8.451 3.359 650 HA ILE 92 HA ILE 92 4.411 -6.910 3.878 651 HB ILE 92 HB ILE 92 5.483 -7.982 1.283 652 1HG1 ILE 92 2HG1 ILE 92 6.014 -5.444 2.768 653 2HG1 ILE 92 1HG1 ILE 92 7.134 -6.493 1.941 654 1HG2 ILE 92 1HG2 ILE 92 3.288 -6.034 1.898 655 2HG2 ILE 92 2HG2 ILE 92 3.180 -7.572 1.040 656 3HG2 ILE 92 3HG2 ILE 92 4.016 -6.209 0.302 657 1HD1 ILE 92 1HD1 ILE 92 5.558 -5.585 -0.098 658 2HD1 ILE 92 2HD1 ILE 92 7.131 -4.936 0.360 659 3HD1 ILE 92 3HD1 ILE 92 5.659 -4.190 0.975 660 H ASN 93 HN ASN 93 2.404 -7.494 3.006 661 HA ASN 93 HA ASN 93 1.895 -10.338 2.604 662 1HB ASN 93 HB2 ASN 93 1.331 -9.942 4.938 663 2HB ASN 93 HB1 ASN 93 0.379 -8.534 4.501 664 1HD2 ASN 93 1HD2 ASN 93 -0.614 -10.611 6.022 665 2HD2 ASN 93 2HD2 ASN 93 -1.847 -11.427 5.129 666 H LEU 94 HN LEU 94 1.317 -10.251 0.501 667 HA LEU 94 HA LEU 94 0.086 -8.043 -0.740 668 1HB LEU 94 HB2 LEU 94 1.471 -9.809 -1.847 669 2HB LEU 94 HB1 LEU 94 0.096 -10.887 -1.723 670 HG LEU 94 HG LEU 94 -1.190 -9.146 -3.076 671 1HD1 LEU 94 1HD1 LEU 94 -0.108 -7.196 -3.289 672 2HD1 LEU 94 2HD1 LEU 94 0.783 -8.012 -4.573 673 3HD1 LEU 94 3HD1 LEU 94 1.463 -7.921 -2.949 674 1HD2 LEU 94 1HD2 LEU 94 0.491 -11.268 -3.821 675 2HD2 LEU 94 2HD2 LEU 94 0.777 -9.977 -4.986 676 3HD2 LEU 94 3HD2 LEU 94 -0.858 -10.586 -4.728 677 H LYS 95 HN LYS 95 -2.015 -7.956 -1.799 678 HA LYS 95 HA LYS 95 -4.056 -9.755 -0.822 679 1HB LYS 95 HB2 LYS 95 -3.872 -6.894 0.050 680 2HB LYS 95 HB1 LYS 95 -5.446 -7.655 -0.125 681 1HG LYS 95 HG2 LYS 95 -3.715 -9.375 1.367 682 2HG LYS 95 HG1 LYS 95 -3.707 -7.760 2.075 683 1HD LYS 95 HD2 LYS 95 -5.801 -7.974 2.839 684 2HD LYS 95 HD1 LYS 95 -6.373 -8.664 1.319 685 1HE LYS 95 HE2 LYS 95 -4.711 -10.592 2.562 686 2HE LYS 95 HE1 LYS 95 -5.822 -9.979 3.786 687 1HZ LYS 95 HZ1 LYS 95 -7.238 -10.436 1.396 688 2HZ LYS 95 HZ2 LYS 95 -7.437 -11.181 2.901 689 3HZ LYS 95 HZ3 LYS 95 -6.351 -11.826 1.777 690 H LYS 96 HN LYS 96 -5.157 -6.628 -1.728 691 HA LYS 96 HA LYS 96 -6.437 -7.703 -4.026 692 1HB LYS 96 HB2 LYS 96 -6.254 -4.905 -2.932 693 2HB LYS 96 HB1 LYS 96 -7.153 -5.295 -4.391 694 1HG LYS 96 HG2 LYS 96 -8.901 -5.896 -3.183 695 2HG LYS 96 HG1 LYS 96 -7.933 -7.106 -2.341 696 1HD LYS 96 HD2 LYS 96 -7.179 -5.388 -0.759 697 2HD LYS 96 HD1 LYS 96 -8.171 -4.192 -1.596 698 1HE LYS 96 HE2 LYS 96 -10.077 -4.928 -0.651 699 2HE LYS 96 HE1 LYS 96 -9.600 -6.620 -0.775 700 1HZ LYS 96 HZ1 LYS 96 -9.161 -4.721 1.396 701 2HZ LYS 96 HZ2 LYS 96 -7.934 -5.847 1.105 702 3HZ LYS 96 HZ3 LYS 96 -9.500 -6.378 1.459 703 H VAL 97 HN VAL 97 -5.210 -8.270 -5.718 704 HA VAL 97 HA VAL 97 -3.370 -6.281 -6.848 705 HB VAL 97 HB VAL 97 -2.115 -8.218 -6.381 706 1HG1 VAL 97 1HG1 VAL 97 -4.612 -9.618 -6.904 707 2HG1 VAL 97 2HG1 VAL 97 -3.256 -10.072 -5.870 708 3HG1 VAL 97 3HG1 VAL 97 -3.212 -10.432 -7.596 709 1HG2 VAL 97 1HG2 VAL 97 -2.507 -7.433 -9.015 710 2HG2 VAL 97 2HG2 VAL 97 -2.576 -9.195 -9.072 711 3HG2 VAL 97 3HG2 VAL 97 -1.162 -8.389 -8.394 712 H GLU 98 HN GLU 98 -4.498 -5.159 -8.336 713 HA GLU 98 HA GLU 98 -6.120 -6.688 -10.264 714 1HB GLU 98 HB2 GLU 98 -6.653 -3.881 -9.285 715 2HB GLU 98 HB1 GLU 98 -7.654 -4.808 -10.394 716 1HG GLU 98 HG2 GLU 98 -8.527 -6.110 -8.743 717 2HG GLU 98 HG1 GLU 98 -7.090 -5.984 -7.731 718 H GLU 99 HN GLU 99 -6.615 -4.972 -12.225 719 HA GLU 99 HA GLU 99 -3.935 -4.169 -13.143 720 1HB GLU 99 HB2 GLU 99 -5.295 -5.970 -14.385 721 2HB GLU 99 HB1 GLU 99 -6.288 -4.633 -14.947 722 1HG GLU 99 HG2 GLU 99 -3.499 -4.057 -15.339 723 2HG GLU 99 HG1 GLU 99 -3.934 -5.593 -16.085 724 H ARG 100 HN ARG 100 -3.940 -2.115 -12.273 725 HA ARG 100 HA ARG 100 -6.018 -0.229 -12.767 726 1HB ARG 100 HB2 ARG 100 -4.467 1.401 -11.824 727 2HB ARG 100 HB1 ARG 100 -4.525 -0.061 -10.851 728 1HG ARG 100 HG2 ARG 100 -2.325 -0.249 -11.005 729 2HG ARG 100 HG1 ARG 100 -2.467 -0.403 -12.753 730 1HD ARG 100 HD2 ARG 100 -2.684 2.220 -12.623 731 2HD ARG 100 HD1 ARG 100 -1.829 1.988 -11.097 732 HE ARG 100 HE ARG 100 -0.449 0.540 -13.013 733 1HH1 ARG 100 1HH1 ARG 100 -1.258 3.880 -12.411 734 2HH1 ARG 100 2HH1 ARG 100 0.153 4.494 -13.207 735 1HH2 ARG 100 1HH2 ARG 100 1.402 1.342 -14.055 736 2HH2 ARG 100 2HH2 ARG 100 1.659 3.052 -14.148 737 H GLU 101 HN GLU 101 -6.300 1.149 -14.399 738 HA GLU 101 HA GLU 101 -4.145 1.893 -16.157 739 1HB GLU 101 HB2 GLU 101 -5.043 -0.371 -16.971 740 2HB GLU 101 HB1 GLU 101 -6.496 0.507 -17.429 741 1HG GLU 101 HG2 GLU 101 -5.173 1.945 -18.890 742 2HG GLU 101 HG1 GLU 101 -3.713 1.070 -18.428 743 H LEU 102 HN LEU 102 -4.914 3.862 -15.054 744 HA LEU 102 HA LEU 102 -7.495 4.914 -15.667 745 1HB LEU 102 HB2 LEU 102 -5.011 5.990 -14.393 746 2HB LEU 102 HB1 LEU 102 -6.297 7.089 -14.851 747 HG LEU 102 HG LEU 102 -7.825 6.092 -13.327 748 1HD1 LEU 102 1HD1 LEU 102 -7.588 3.804 -13.456 749 2HD1 LEU 102 2HD1 LEU 102 -6.885 4.140 -11.874 750 3HD1 LEU 102 3HD1 LEU 102 -5.836 3.868 -13.265 751 1HD2 LEU 102 1HD2 LEU 102 -5.100 6.328 -12.062 752 2HD2 LEU 102 2HD2 LEU 102 -6.627 6.300 -11.178 753 3HD2 LEU 102 3HD2 LEU 102 -6.277 7.623 -12.290 754 HA PRO 103 HA PRO 103 -5.055 7.693 -18.770 755 1HB PRO 103 HB2 PRO 103 -2.538 6.943 -19.445 756 2HB PRO 103 HB1 PRO 103 -2.884 8.024 -18.090 757 1HG PRO 103 HG2 PRO 103 -2.296 5.089 -18.072 758 2HG PRO 103 HG1 PRO 103 -1.707 6.357 -16.980 759 1HD PRO 103 HD2 PRO 103 -3.732 4.678 -16.331 760 2HD PRO 103 HD1 PRO 103 -3.630 6.338 -15.720 761 H GLU 104 HN GLU 104 -6.354 6.996 -20.391 762 HA GLU 104 HA GLU 104 -5.845 4.438 -21.680 763 1HB GLU 104 HB2 GLU 104 -8.168 5.459 -21.094 764 2HB GLU 104 HB1 GLU 104 -7.937 6.400 -22.563 765 1HG GLU 104 HG2 GLU 104 -8.714 4.704 -23.741 766 2HG GLU 104 HG1 GLU 104 -7.340 3.730 -23.218 767 H LEU 105 HN LEU 105 -4.845 4.182 -23.579 768 HA LEU 105 HA LEU 105 -4.006 6.610 -25.010 769 1HB LEU 105 HB2 LEU 105 -2.784 3.884 -24.727 770 2HB LEU 105 HB1 LEU 105 -2.328 4.936 -26.052 771 HG LEU 105 HG LEU 105 -0.693 5.200 -24.344 772 1HD1 LEU 105 1HD1 LEU 105 -1.511 7.256 -25.492 773 2HD1 LEU 105 2HD1 LEU 105 -0.791 7.544 -23.907 774 3HD1 LEU 105 3HD1 LEU 105 -2.545 7.561 -24.098 775 1HD2 LEU 105 1HD2 LEU 105 -2.144 6.299 -22.166 776 2HD2 LEU 105 2HD2 LEU 105 -1.166 4.832 -22.209 777 3HD2 LEU 105 3HD2 LEU 105 -2.884 4.756 -22.590 778 H THR 106 HN THR 106 -3.469 5.988 -27.435 779 HA THR 106 HA THR 106 -5.314 4.154 -28.653 780 HB THR 106 HB THR 106 -5.723 7.001 -29.479 781 HG1 THR 106 HG1 THR 106 -6.312 7.301 -27.449 782 1HG2 THR 106 1HG2 THR 106 -8.087 5.407 -29.332 783 2HG2 THR 106 2HG2 THR 106 -6.840 4.542 -30.232 784 3HG2 THR 106 3HG2 THR 106 -7.330 6.160 -30.735 Start of MODEL 27 1 1H GLY 1 HT1 GLY 1 -14.176 7.495 3.866 2 2H GLY 1 HT2 GLY 1 -14.009 7.948 5.487 3 3H GLY 1 HT3 GLY 1 -14.004 6.311 5.063 4 1HA GLY 1 HA1 GLY 1 -11.839 8.131 5.182 5 2HA GLY 1 HA2 GLY 1 -11.807 6.388 4.973 6 H SER 2 HN SER 2 -13.300 6.314 2.533 7 HA SER 2 HA SER 2 -11.174 7.140 0.721 8 1HB SER 2 HB2 SER 2 -11.923 4.856 0.485 9 2HB SER 2 HB1 SER 2 -13.600 5.378 0.321 10 HG SER 2 HG SER 2 -11.465 5.822 -1.490 11 H HIS 3 HN HIS 3 -11.802 8.015 -1.433 12 HA HIS 3 HA HIS 3 -14.245 9.597 -1.479 13 1HB HIS 3 HB2 HIS 3 -11.473 10.789 -1.499 14 2HB HIS 3 HB1 HIS 3 -12.867 11.640 -2.157 15 HD2 HIS 3 HD2 HIS 3 -11.109 11.146 1.169 16 HE1 HIS 3 HE1 HIS 3 -14.937 12.748 2.057 17 HE2 HIS 3 HE2 HIS 3 -12.677 12.125 2.980 18 H MET 4 HN MET 4 -14.136 10.992 -3.647 19 HA MET 4 HA MET 4 -13.447 9.063 -5.747 20 1HB MET 4 HB2 MET 4 -15.031 10.306 -7.160 21 2HB MET 4 HB1 MET 4 -15.788 9.722 -5.685 22 1HG MET 4 HG2 MET 4 -14.985 12.203 -4.927 23 2HG MET 4 HG1 MET 4 -15.355 12.456 -6.631 24 1HE MET 4 HE1 MET 4 -17.838 10.591 -3.465 25 2HE MET 4 HE2 MET 4 -17.714 12.306 -3.072 26 3HE MET 4 HE3 MET 4 -16.253 11.350 -3.315 27 H GLN 5 HN GLN 5 -11.383 10.619 -4.611 28 HA GLN 5 HA GLN 5 -10.826 12.832 -6.375 29 1HB GLN 5 HB2 GLN 5 -10.092 12.769 -3.988 30 2HB GLN 5 HB1 GLN 5 -8.986 11.465 -4.402 31 1HG GLN 5 HG2 GLN 5 -7.509 13.125 -4.650 32 2HG GLN 5 HG1 GLN 5 -8.268 13.312 -6.230 33 1HE2 GLN 5 1HE2 GLN 5 -7.931 14.614 -3.037 34 2HE2 GLN 5 2HE2 GLN 5 -8.686 16.136 -3.351 35 H ALA 6 HN ALA 6 -9.126 9.771 -5.691 36 HA ALA 6 HA ALA 6 -7.630 9.952 -8.144 37 1HB ALA 6 HB1 ALA 6 -7.363 7.364 -7.084 38 2HB ALA 6 HB2 ALA 6 -7.467 8.457 -5.703 39 3HB ALA 6 HB3 ALA 6 -6.235 8.712 -6.940 40 H THR 7 HN THR 7 -7.706 8.436 -9.869 41 HA THR 7 HA THR 7 -10.334 7.139 -10.172 42 HB THR 7 HB THR 7 -10.145 8.943 -11.740 43 HG1 THR 7 HG1 THR 7 -9.586 6.486 -13.042 44 1HG2 THR 7 1HG2 THR 7 -8.132 9.648 -12.345 45 2HG2 THR 7 2HG2 THR 7 -8.142 8.333 -13.522 46 3HG2 THR 7 3HG2 THR 7 -7.380 8.103 -11.949 47 H TRP 8 HN TRP 8 -10.421 5.031 -10.700 48 HA TRP 8 HA TRP 8 -7.974 3.680 -11.563 49 1HB TRP 8 HB2 TRP 8 -9.649 2.890 -9.177 50 2HB TRP 8 HB1 TRP 8 -8.450 1.837 -9.923 51 HD1 TRP 8 HD1 TRP 8 -8.567 5.349 -8.271 52 HE1 TRP 8 HE1 TRP 8 -6.333 5.711 -7.046 53 HE3 TRP 8 HE3 TRP 8 -6.203 1.027 -9.613 54 HZ2 TRP 8 HZ2 TRP 8 -3.884 4.337 -6.694 55 HZ3 TRP 8 HZ3 TRP 8 -3.930 0.628 -8.798 56 HH2 TRP 8 HH2 TRP 8 -2.783 2.239 -7.368 57 H LYS 9 HN LYS 9 -8.307 1.638 -12.552 58 HA LYS 9 HA LYS 9 -11.033 0.830 -13.162 59 1HB LYS 9 HB2 LYS 9 -10.391 0.689 -15.637 60 2HB LYS 9 HB1 LYS 9 -10.767 2.282 -14.994 61 1HG LYS 9 HG2 LYS 9 -8.016 1.970 -14.629 62 2HG LYS 9 HG1 LYS 9 -8.356 1.324 -16.235 63 1HD LYS 9 HD2 LYS 9 -7.909 3.635 -16.522 64 2HD LYS 9 HD1 LYS 9 -9.655 3.440 -16.685 65 1HE LYS 9 HE2 LYS 9 -9.636 3.944 -14.114 66 2HE LYS 9 HE1 LYS 9 -8.077 4.678 -14.475 67 1HZ LYS 9 HZ1 LYS 9 -9.244 6.476 -15.014 68 2HZ LYS 9 HZ2 LYS 9 -10.713 5.640 -15.032 69 3HZ LYS 9 HZ3 LYS 9 -9.731 5.652 -16.409 70 H GLU 10 HN GLU 10 -8.870 -0.280 -11.633 71 HA GLU 10 HA GLU 10 -7.533 -2.274 -13.120 72 1HB GLU 10 HB2 GLU 10 -6.873 -3.182 -10.945 73 2HB GLU 10 HB1 GLU 10 -6.620 -1.448 -11.038 74 1HG GLU 10 HG2 GLU 10 -9.104 -1.529 -9.983 75 2HG GLU 10 HG1 GLU 10 -8.412 -3.008 -9.315 76 H LYS 11 HN LYS 11 -8.003 -4.297 -13.612 77 HA LYS 11 HA LYS 11 -10.671 -5.191 -13.598 78 1HB LYS 11 HB2 LYS 11 -8.187 -6.865 -14.005 79 2HB LYS 11 HB1 LYS 11 -9.809 -7.230 -14.575 80 1HG LYS 11 HG2 LYS 11 -9.744 -5.398 -16.121 81 2HG LYS 11 HG1 LYS 11 -8.195 -4.856 -15.474 82 1HD LYS 11 HD2 LYS 11 -7.025 -6.533 -16.502 83 2HD LYS 11 HD1 LYS 11 -8.394 -7.645 -16.485 84 1HE LYS 11 HE2 LYS 11 -8.626 -7.157 -18.652 85 2HE LYS 11 HE1 LYS 11 -9.272 -5.608 -18.112 86 1HZ LYS 11 HZ1 LYS 11 -7.441 -4.526 -18.767 87 2HZ LYS 11 HZ2 LYS 11 -7.166 -5.881 -19.741 88 3HZ LYS 11 HZ3 LYS 11 -6.384 -5.742 -18.246 89 H ASP 12 HN ASP 12 -10.334 -7.968 -12.930 90 HA ASP 12 HA ASP 12 -10.006 -7.815 -10.011 91 1HB ASP 12 HB2 ASP 12 -12.395 -8.318 -11.464 92 2HB ASP 12 HB1 ASP 12 -11.927 -9.826 -10.684 93 H GLY 13 HN GLY 13 -8.277 -8.822 -12.288 94 1HA GLY 13 HA2 GLY 13 -8.096 -11.654 -11.499 95 2HA GLY 13 HA1 GLY 13 -7.444 -10.974 -12.982 96 H ALA 14 HN ALA 14 -5.442 -12.010 -12.440 97 HA ALA 14 HA ALA 14 -4.007 -11.393 -10.067 98 1HB ALA 14 HB1 ALA 14 -2.864 -13.149 -10.793 99 2HB ALA 14 HB2 ALA 14 -2.171 -12.144 -12.067 100 3HB ALA 14 HB3 ALA 14 -3.653 -13.053 -12.367 101 H VAL 15 HN VAL 15 -1.485 -10.742 -10.838 102 HA VAL 15 HA VAL 15 -1.618 -7.901 -11.125 103 HB VAL 15 HB VAL 15 0.190 -8.928 -9.862 104 1HG1 VAL 15 1HG1 VAL 15 1.361 -10.676 -10.571 105 2HG1 VAL 15 2HG1 VAL 15 1.839 -9.832 -12.042 106 3HG1 VAL 15 3HG1 VAL 15 0.317 -10.719 -11.990 107 1HG2 VAL 15 1HG2 VAL 15 1.808 -7.832 -12.038 108 2HG2 VAL 15 2HG2 VAL 15 1.638 -7.301 -10.368 109 3HG2 VAL 15 3HG2 VAL 15 0.448 -6.819 -11.565 110 H GLU 16 HN GLU 16 -0.734 -6.625 -12.904 111 HA GLU 16 HA GLU 16 -0.452 -8.083 -15.418 112 1HB GLU 16 HB2 GLU 16 -2.377 -5.880 -14.790 113 2HB GLU 16 HB1 GLU 16 -1.691 -5.985 -16.405 114 1HG GLU 16 HG2 GLU 16 -2.478 -8.536 -16.058 115 2HG GLU 16 HG1 GLU 16 -3.677 -7.697 -15.074 116 H ALA 17 HN ALA 17 0.624 -6.823 -17.059 117 HA ALA 17 HA ALA 17 3.056 -6.011 -16.767 118 1HB ALA 17 HB1 ALA 17 1.921 -5.718 -18.896 119 2HB ALA 17 HB2 ALA 17 2.883 -4.293 -18.504 120 3HB ALA 17 HB3 ALA 17 1.133 -4.261 -18.293 121 H GLU 18 HN GLU 18 0.853 -3.196 -16.636 122 HA GLU 18 HA GLU 18 2.534 -2.158 -14.446 123 1HB GLU 18 HB2 GLU 18 1.004 -0.526 -16.471 124 2HB GLU 18 HB1 GLU 18 2.149 0.072 -15.276 125 1HG GLU 18 HG2 GLU 18 3.758 -1.616 -16.547 126 2HG GLU 18 HG1 GLU 18 2.633 -1.284 -17.862 127 H ASP 19 HN ASP 19 0.912 -3.490 -13.180 128 HA ASP 19 HA ASP 19 -1.642 -2.099 -12.829 129 1HB ASP 19 HB2 ASP 19 -2.543 -4.073 -12.155 130 2HB ASP 19 HB1 ASP 19 -1.242 -4.700 -13.144 131 H ARG 20 HN ARG 20 -2.315 -2.835 -10.269 132 HA ARG 20 HA ARG 20 -0.259 -1.840 -8.467 133 1HB ARG 20 HB2 ARG 20 -2.198 -0.089 -9.458 134 2HB ARG 20 HB1 ARG 20 -2.781 -0.538 -7.868 135 1HG ARG 20 HG2 ARG 20 -1.311 0.773 -6.877 136 2HG ARG 20 HG1 ARG 20 0.018 0.070 -7.776 137 1HD ARG 20 HD2 ARG 20 -0.033 1.680 -9.395 138 2HD ARG 20 HD1 ARG 20 -1.758 1.983 -9.185 139 HE ARG 20 HE ARG 20 -0.883 2.935 -6.905 140 1HH1 ARG 20 1HH1 ARG 20 0.540 3.330 -10.074 141 2HH1 ARG 20 2HH1 ARG 20 1.261 4.854 -9.689 142 1HH2 ARG 20 1HH2 ARG 20 0.068 4.932 -6.406 143 2HH2 ARG 20 2HH2 ARG 20 0.995 5.764 -7.610 144 H VAL 21 HN VAL 21 -0.229 -3.275 -6.837 145 HA VAL 21 HA VAL 21 -2.663 -4.748 -6.176 146 HB VAL 21 HB VAL 21 -1.252 -6.245 -4.904 147 1HG1 VAL 21 1HG1 VAL 21 0.151 -5.658 -7.504 148 2HG1 VAL 21 2HG1 VAL 21 -1.392 -6.499 -7.389 149 3HG1 VAL 21 3HG1 VAL 21 0.053 -7.206 -6.662 150 1HG2 VAL 21 1HG2 VAL 21 0.982 -4.328 -5.548 151 2HG2 VAL 21 2HG2 VAL 21 1.186 -5.923 -4.831 152 3HG2 VAL 21 3HG2 VAL 21 0.306 -4.673 -3.954 153 H THR 22 HN THR 22 -2.755 -5.309 -3.694 154 HA THR 22 HA THR 22 -2.327 -2.835 -2.148 155 HB THR 22 HB THR 22 -4.642 -4.770 -1.865 156 HG1 THR 22 HG1 THR 22 -5.344 -3.555 -3.443 157 1HG2 THR 22 1HG2 THR 22 -5.083 -2.283 -0.569 158 2HG2 THR 22 2HG2 THR 22 -3.563 -2.964 0.020 159 3HG2 THR 22 3HG2 THR 22 -5.055 -3.905 0.122 160 H ILE 23 HN ILE 23 -0.771 -3.218 -0.694 161 HA ILE 23 HA ILE 23 -0.694 -5.888 0.561 162 HB ILE 23 HB ILE 23 1.790 -5.655 0.604 163 1HG1 ILE 23 2HG1 ILE 23 1.421 -3.544 -1.507 164 2HG1 ILE 23 1HG1 ILE 23 1.630 -3.131 0.190 165 1HG2 ILE 23 1HG2 ILE 23 0.103 -6.442 -1.513 166 2HG2 ILE 23 2HG2 ILE 23 1.737 -7.005 -1.157 167 3HG2 ILE 23 3HG2 ILE 23 1.494 -5.631 -2.233 168 1HD1 ILE 23 1HD1 ILE 23 3.646 -3.340 -1.558 169 2HD1 ILE 23 2HD1 ILE 23 3.609 -4.980 -0.924 170 3HD1 ILE 23 3HD1 ILE 23 3.819 -3.620 0.173 171 H ASP 24 HN ASP 24 0.127 -6.051 2.640 172 HA ASP 24 HA ASP 24 0.400 -3.542 4.180 173 1HB ASP 24 HB2 ASP 24 -0.508 -4.883 6.132 174 2HB ASP 24 HB1 ASP 24 -1.683 -4.528 4.876 175 H PHE 25 HN PHE 25 2.404 -3.398 5.147 176 HA PHE 25 HA PHE 25 3.767 -5.898 5.843 177 1HB PHE 25 HB2 PHE 25 5.798 -5.285 4.727 178 2HB PHE 25 HB1 PHE 25 4.477 -5.209 3.566 179 HD1 PHE 25 HD1 PHE 25 4.229 -3.341 2.243 180 HD2 PHE 25 HD2 PHE 25 6.443 -3.034 5.866 181 HE1 PHE 25 HE1 PHE 25 4.838 -1.029 1.682 182 HE2 PHE 25 HE2 PHE 25 7.051 -0.717 5.298 183 HZ PHE 25 HZ PHE 25 6.240 0.284 3.200 184 H THR 26 HN THR 26 5.863 -5.493 6.978 185 HA THR 26 HA THR 26 6.024 -3.009 8.487 186 HB THR 26 HB THR 26 5.732 -5.659 9.914 187 HG1 THR 26 HG1 THR 26 3.733 -5.074 9.131 188 1HG2 THR 26 1HG2 THR 26 5.284 -3.161 11.371 189 2HG2 THR 26 2HG2 THR 26 6.951 -3.439 10.865 190 3HG2 THR 26 3HG2 THR 26 6.122 -4.636 11.859 191 H GLY 27 HN GLY 27 8.122 -2.460 8.384 192 1HA GLY 27 HA2 GLY 27 10.161 -4.384 9.117 193 2HA GLY 27 HA1 GLY 27 10.217 -3.878 7.442 194 H SER 28 HN SER 28 12.377 -3.454 8.954 195 HA SER 28 HA SER 28 12.304 -0.594 9.697 196 1HB SER 28 HB2 SER 28 14.750 -1.928 10.465 197 2HB SER 28 HB1 SER 28 13.542 -1.163 11.488 198 HG SER 28 HG SER 28 13.330 -3.178 12.129 199 H VAL 29 HN VAL 29 14.374 0.581 9.307 200 HA VAL 29 HA VAL 29 15.304 0.017 6.615 201 HB VAL 29 HB VAL 29 14.493 2.204 6.707 202 1HG1 VAL 29 1HG1 VAL 29 16.008 3.568 8.665 203 2HG1 VAL 29 2HG1 VAL 29 15.293 2.150 9.428 204 3HG1 VAL 29 3HG1 VAL 29 14.265 3.312 8.596 205 1HG2 VAL 29 1HG2 VAL 29 16.258 2.694 5.440 206 2HG2 VAL 29 2HG2 VAL 29 17.392 1.890 6.521 207 3HG2 VAL 29 3HG2 VAL 29 16.869 3.539 6.860 208 H ASP 30 HN ASP 30 17.170 1.758 9.085 209 HA ASP 30 HA ASP 30 19.393 -0.042 8.513 210 1HB ASP 30 HB2 ASP 30 20.743 1.659 9.766 211 2HB ASP 30 HB1 ASP 30 19.935 2.303 8.341 212 H GLY 31 HN GLY 31 17.354 -1.201 9.962 213 1HA GLY 31 HA2 GLY 31 17.531 -2.754 11.742 214 2HA GLY 31 HA1 GLY 31 18.719 -1.707 12.504 215 H GLU 32 HN GLU 32 16.482 0.420 11.590 216 HA GLU 32 HA GLU 32 14.709 -0.018 13.890 217 1HB GLU 32 HB2 GLU 32 15.975 2.642 13.209 218 2HB GLU 32 HB1 GLU 32 14.906 2.302 14.564 219 1HG GLU 32 HG2 GLU 32 16.634 0.699 15.407 220 2HG GLU 32 HG1 GLU 32 17.710 1.303 14.148 221 H GLU 33 HN GLU 33 12.706 -0.101 13.150 222 HA GLU 33 HA GLU 33 11.902 0.653 10.596 223 1HB GLU 33 HB2 GLU 33 9.581 0.337 11.473 224 2HB GLU 33 HB1 GLU 33 10.658 -1.019 11.767 225 1HG GLU 33 HG2 GLU 33 10.825 0.723 13.994 226 2HG GLU 33 HG1 GLU 33 9.121 0.468 13.623 227 H PHE 34 HN PHE 34 11.733 2.594 9.780 228 HA PHE 34 HA PHE 34 11.464 4.915 11.443 229 1HB PHE 34 HB2 PHE 34 11.995 6.157 9.505 230 2HB PHE 34 HB1 PHE 34 13.004 4.720 9.477 231 HD1 PHE 34 HD1 PHE 34 10.796 2.815 8.438 232 HD2 PHE 34 HD2 PHE 34 12.107 6.679 7.218 233 HE1 PHE 34 HE1 PHE 34 10.030 2.352 6.151 234 HE2 PHE 34 HE2 PHE 34 11.336 6.215 4.924 235 HZ PHE 34 HZ PHE 34 10.297 4.055 4.401 236 H GLU 35 HN GLU 35 10.064 6.069 8.920 237 HA GLU 35 HA GLU 35 7.491 6.305 10.108 238 1HB GLU 35 HB2 GLU 35 8.882 7.371 7.730 239 2HB GLU 35 HB1 GLU 35 7.137 7.229 7.572 240 1HG GLU 35 HG2 GLU 35 7.824 8.411 10.099 241 2HG GLU 35 HG1 GLU 35 8.580 9.291 8.771 242 H GLY 36 HN GLY 36 8.582 4.892 7.021 243 1HA GLY 36 HA2 GLY 36 6.056 3.565 6.606 244 2HA GLY 36 HA1 GLY 36 7.480 3.444 5.586 245 H GLY 37 HN GLY 37 8.050 2.838 8.911 246 1HA GLY 37 HA2 GLY 37 8.959 0.239 8.460 247 2HA GLY 37 HA1 GLY 37 8.615 0.933 10.033 248 H LYS 38 HN LYS 38 5.760 1.314 8.657 249 HA LYS 38 HA LYS 38 4.825 -1.422 8.728 250 1HB LYS 38 HB2 LYS 38 3.106 -0.940 10.456 251 2HB LYS 38 HB1 LYS 38 4.748 -0.913 11.081 252 1HG LYS 38 HG2 LYS 38 4.106 1.718 10.269 253 2HG LYS 38 HG1 LYS 38 2.752 1.102 11.218 254 1HD LYS 38 HD2 LYS 38 4.225 2.104 12.769 255 2HD LYS 38 HD1 LYS 38 4.466 0.363 12.930 256 1HE LYS 38 HE2 LYS 38 6.583 0.460 12.173 257 2HE LYS 38 HE1 LYS 38 6.199 1.676 10.956 258 1HZ LYS 38 HZ1 LYS 38 6.624 2.171 13.853 259 2HZ LYS 38 HZ2 LYS 38 6.183 3.350 12.724 260 3HZ LYS 38 HZ3 LYS 38 7.685 2.583 12.601 261 H ALA 39 HN ALA 39 3.379 -1.661 7.196 262 HA ALA 39 HA ALA 39 1.612 0.574 6.493 263 1HB ALA 39 HB1 ALA 39 1.940 -0.550 4.072 264 2HB ALA 39 HB2 ALA 39 3.543 -0.836 4.755 265 3HB ALA 39 HB3 ALA 39 2.910 0.805 4.650 266 H SER 40 HN SER 40 -0.441 -0.019 5.810 267 HA SER 40 HA SER 40 -1.080 -2.874 6.142 268 1HB SER 40 HB2 SER 40 -3.264 -0.907 6.466 269 2HB SER 40 HB1 SER 40 -2.903 -2.359 7.401 270 HG SER 40 HG SER 40 -1.087 -1.077 8.267 271 H ASP 41 HN ASP 41 -2.391 0.068 4.581 272 HA ASP 41 HA ASP 41 -3.289 -1.585 2.358 273 1HB ASP 41 HB2 ASP 41 -4.701 0.386 1.772 274 2HB ASP 41 HB1 ASP 41 -5.098 -0.294 3.346 275 H PHE 42 HN PHE 42 -0.901 -1.586 1.829 276 HA PHE 42 HA PHE 42 0.035 0.966 0.765 277 1HB PHE 42 HB2 PHE 42 1.568 -0.495 2.138 278 2HB PHE 42 HB1 PHE 42 1.538 -1.655 0.819 279 HD1 PHE 42 HD1 PHE 42 3.704 -1.629 -0.083 280 HD2 PHE 42 HD2 PHE 42 1.716 2.050 0.728 281 HE1 PHE 42 HE1 PHE 42 5.516 -0.408 -1.197 282 HE2 PHE 42 HE2 PHE 42 3.536 3.276 -0.379 283 HZ PHE 42 HZ PHE 42 5.438 2.048 -1.344 284 H VAL 43 HN VAL 43 -0.822 1.412 -1.155 285 HA VAL 43 HA VAL 43 -1.467 -0.639 -3.053 286 HB VAL 43 HB VAL 43 -2.841 1.389 -2.740 287 1HG1 VAL 43 1HG1 VAL 43 -1.217 3.168 -4.347 288 2HG1 VAL 43 2HG1 VAL 43 -0.437 2.743 -2.824 289 3HG1 VAL 43 3HG1 VAL 43 -2.047 3.460 -2.819 290 1HG2 VAL 43 1HG2 VAL 43 -3.589 1.097 -4.813 291 2HG2 VAL 43 2HG2 VAL 43 -2.149 0.129 -5.127 292 3HG2 VAL 43 3HG2 VAL 43 -2.151 1.853 -5.501 293 H LEU 44 HN LEU 44 0.348 -1.622 -3.820 294 HA LEU 44 HA LEU 44 2.603 -0.024 -4.704 295 1HB LEU 44 HB2 LEU 44 2.324 -2.584 -3.652 296 2HB LEU 44 HB1 LEU 44 2.743 -2.852 -5.333 297 HG LEU 44 HG LEU 44 4.344 -1.434 -3.222 298 1HD1 LEU 44 1HD1 LEU 44 6.019 -3.052 -4.530 299 2HD1 LEU 44 2HD1 LEU 44 4.519 -3.935 -4.763 300 3HD1 LEU 44 3HD1 LEU 44 5.079 -3.562 -3.133 301 1HD2 LEU 44 1HD2 LEU 44 4.804 0.062 -4.874 302 2HD2 LEU 44 2HD2 LEU 44 4.387 -1.065 -6.163 303 3HD2 LEU 44 3HD2 LEU 44 5.939 -1.206 -5.338 304 H ALA 45 HN ALA 45 3.159 0.375 -6.750 305 HA ALA 45 HA ALA 45 1.265 -0.429 -8.844 306 1HB ALA 45 HB1 ALA 45 3.414 1.670 -9.041 307 2HB ALA 45 HB2 ALA 45 1.783 1.995 -8.453 308 3HB ALA 45 HB3 ALA 45 2.029 1.432 -10.107 309 H MET 46 HN MET 46 1.874 -2.334 -9.720 310 HA MET 46 HA MET 46 4.573 -3.158 -9.988 311 1HB MET 46 HB2 MET 46 1.988 -4.282 -10.343 312 2HB MET 46 HB1 MET 46 2.916 -4.585 -11.805 313 1HG MET 46 HG2 MET 46 4.099 -5.115 -9.125 314 2HG MET 46 HG1 MET 46 2.985 -6.269 -9.848 315 1HE MET 46 HE1 MET 46 5.701 -6.552 -8.789 316 2HE MET 46 HE2 MET 46 7.092 -6.401 -9.862 317 3HE MET 46 HE3 MET 46 6.153 -7.891 -9.842 318 H GLY 47 HN GLY 47 5.486 -1.367 -11.037 319 1HA GLY 47 HA2 GLY 47 6.636 -0.963 -13.118 320 2HA GLY 47 HA1 GLY 47 5.197 -1.505 -13.968 321 H GLN 48 HN GLN 48 6.229 1.039 -11.704 322 HA GLN 48 HA GLN 48 4.619 2.939 -13.274 323 1HB GLN 48 HB2 GLN 48 3.635 2.451 -11.033 324 2HB GLN 48 HB1 GLN 48 5.110 3.057 -10.293 325 1HG GLN 48 HG2 GLN 48 3.798 4.867 -12.206 326 2HG GLN 48 HG1 GLN 48 2.916 4.544 -10.714 327 1HE2 GLN 48 1HE2 GLN 48 4.202 6.996 -11.679 328 2HE2 GLN 48 2HE2 GLN 48 5.326 7.452 -10.449 329 H GLY 49 HN GLY 49 7.043 3.144 -10.666 330 1HA GLY 49 HA2 GLY 49 8.437 5.205 -12.233 331 2HA GLY 49 HA1 GLY 49 8.618 4.928 -10.505 332 H ARG 50 HN ARG 50 9.277 2.429 -10.169 333 HA ARG 50 HA ARG 50 10.989 1.211 -12.011 334 1HB ARG 50 HB2 ARG 50 13.186 1.736 -11.060 335 2HB ARG 50 HB1 ARG 50 12.407 3.180 -11.694 336 1HG ARG 50 HG2 ARG 50 12.333 4.170 -9.691 337 2HG ARG 50 HG1 ARG 50 11.886 2.683 -8.856 338 1HD ARG 50 HD2 ARG 50 14.124 3.622 -8.218 339 2HD ARG 50 HD1 ARG 50 14.150 1.951 -8.776 340 HE ARG 50 HE ARG 50 15.520 2.611 -10.465 341 1HH1 ARG 50 1HH1 ARG 50 13.756 5.411 -9.351 342 2HH1 ARG 50 2HH1 ARG 50 14.579 6.505 -10.410 343 1HH2 ARG 50 1HH2 ARG 50 16.607 4.048 -11.852 344 2HH2 ARG 50 2HH2 ARG 50 16.200 5.732 -11.830 345 H MET 51 HN MET 51 9.353 -0.204 -10.845 346 HA MET 51 HA MET 51 9.456 -0.973 -8.222 347 1HB MET 51 HB2 MET 51 7.960 -1.832 -10.147 348 2HB MET 51 HB1 MET 51 9.216 -3.038 -10.392 349 1HG MET 51 HG2 MET 51 8.096 -4.267 -8.918 350 2HG MET 51 HG1 MET 51 8.777 -3.193 -7.697 351 1HE MET 51 HE1 MET 51 5.844 -0.488 -7.564 352 2HE MET 51 HE2 MET 51 6.844 -0.541 -9.015 353 3HE MET 51 HE3 MET 51 7.588 -0.720 -7.426 354 H ILE 52 HN ILE 52 11.184 -1.403 -7.039 355 HA ILE 52 HA ILE 52 13.623 -2.413 -8.107 356 HB ILE 52 HB ILE 52 13.992 -2.882 -5.494 357 1HG1 ILE 52 2HG1 ILE 52 11.940 -0.659 -5.509 358 2HG1 ILE 52 1HG1 ILE 52 11.618 -2.298 -4.956 359 1HG2 ILE 52 1HG2 ILE 52 15.328 -1.391 -6.835 360 2HG2 ILE 52 2HG2 ILE 52 14.885 -0.595 -5.325 361 3HG2 ILE 52 3HG2 ILE 52 14.047 -0.179 -6.820 362 1HD1 ILE 52 1HD1 ILE 52 13.395 -1.998 -3.251 363 2HD1 ILE 52 2HD1 ILE 52 12.023 -0.907 -3.063 364 3HD1 ILE 52 3HD1 ILE 52 13.531 -0.315 -3.760 365 HA PRO 53 HA PRO 53 13.188 -6.786 -7.953 366 1HB PRO 53 HB2 PRO 53 15.349 -7.570 -6.415 367 2HB PRO 53 HB1 PRO 53 15.423 -7.193 -8.138 368 1HG PRO 53 HG2 PRO 53 16.126 -5.485 -5.791 369 2HG PRO 53 HG1 PRO 53 16.942 -5.631 -7.359 370 1HD PRO 53 HD2 PRO 53 15.359 -3.540 -6.785 371 2HD PRO 53 HD1 PRO 53 15.428 -4.233 -8.418 372 H GLY 54 HN GLY 54 13.478 -4.986 -5.004 373 1HA GLY 54 HA2 GLY 54 12.872 -7.053 -3.168 374 2HA GLY 54 HA1 GLY 54 12.677 -5.329 -2.893 375 H PHE 55 HN PHE 55 10.768 -4.388 -4.245 376 HA PHE 55 HA PHE 55 8.425 -5.647 -3.294 377 1HB PHE 55 HB2 PHE 55 8.959 -3.282 -5.081 378 2HB PHE 55 HB1 PHE 55 7.325 -3.860 -4.819 379 HD1 PHE 55 HD1 PHE 55 6.771 -4.201 -2.184 380 HD2 PHE 55 HD2 PHE 55 9.658 -1.525 -3.806 381 HE1 PHE 55 HE1 PHE 55 6.622 -2.826 -0.163 382 HE2 PHE 55 HE2 PHE 55 9.512 -0.143 -1.781 383 HZ PHE 55 HZ PHE 55 7.987 -0.790 0.039 384 H GLU 56 HN GLU 56 9.835 -5.196 -6.495 385 HA GLU 56 HA GLU 56 7.861 -6.331 -8.056 386 1HB GLU 56 HB2 GLU 56 9.933 -5.157 -8.852 387 2HB GLU 56 HB1 GLU 56 10.831 -6.629 -8.512 388 1HG GLU 56 HG2 GLU 56 8.763 -7.526 -10.077 389 2HG GLU 56 HG1 GLU 56 9.130 -5.948 -10.771 390 H ASP 57 HN ASP 57 10.013 -7.870 -5.835 391 HA ASP 57 HA ASP 57 9.765 -10.492 -6.990 392 1HB ASP 57 HB2 ASP 57 11.780 -9.870 -5.748 393 2HB ASP 57 HB1 ASP 57 10.825 -9.641 -4.288 394 H GLY 58 HN GLY 58 8.980 -9.544 -3.632 395 1HA GLY 58 HA2 GLY 58 7.119 -11.630 -3.310 396 2HA GLY 58 HA1 GLY 58 7.293 -10.242 -2.248 397 H ILE 59 HN ILE 59 6.543 -8.154 -3.596 398 HA ILE 59 HA ILE 59 3.727 -8.465 -3.915 399 HB ILE 59 HB ILE 59 5.399 -5.990 -4.448 400 1HG1 ILE 59 2HG1 ILE 59 4.757 -5.535 -1.970 401 2HG1 ILE 59 1HG1 ILE 59 4.623 -7.272 -1.843 402 1HG2 ILE 59 1HG2 ILE 59 2.536 -6.530 -3.727 403 2HG2 ILE 59 2HG2 ILE 59 3.181 -5.596 -5.076 404 3HG2 ILE 59 3HG2 ILE 59 3.274 -4.955 -3.435 405 1HD1 ILE 59 1HD1 ILE 59 7.081 -6.400 -3.094 406 2HD1 ILE 59 2HD1 ILE 59 6.832 -7.507 -1.753 407 3HD1 ILE 59 3HD1 ILE 59 6.881 -5.773 -1.466 408 H LYS 60 HN LYS 60 5.117 -9.897 -5.691 409 HA LYS 60 HA LYS 60 5.447 -8.862 -8.298 410 1HB LYS 60 HB2 LYS 60 4.889 -11.523 -7.154 411 2HB LYS 60 HB1 LYS 60 4.243 -11.304 -8.773 412 1HG LYS 60 HG2 LYS 60 7.067 -10.549 -8.237 413 2HG LYS 60 HG1 LYS 60 6.650 -12.254 -8.391 414 1HD LYS 60 HD2 LYS 60 6.221 -12.088 -10.608 415 2HD LYS 60 HD1 LYS 60 5.556 -10.459 -10.464 416 1HE LYS 60 HE2 LYS 60 7.822 -9.562 -10.228 417 2HE LYS 60 HE1 LYS 60 8.482 -11.189 -10.380 418 1HZ LYS 60 HZ1 LYS 60 6.993 -9.671 -12.450 419 2HZ LYS 60 HZ2 LYS 60 7.448 -11.293 -12.608 420 3HZ LYS 60 HZ3 LYS 60 8.632 -10.090 -12.479 421 H GLY 61 HN GLY 61 2.694 -10.322 -6.730 422 1HA GLY 61 HA2 GLY 61 0.510 -9.220 -6.661 423 2HA GLY 61 HA1 GLY 61 0.830 -8.668 -8.303 424 H HIS 62 HN HIS 62 1.464 -11.767 -6.850 425 HA HIS 62 HA HIS 62 -0.514 -13.013 -8.654 426 1HB HIS 62 HB2 HIS 62 1.123 -14.944 -8.863 427 2HB HIS 62 HB1 HIS 62 1.546 -13.464 -9.712 428 HD2 HIS 62 HD2 HIS 62 2.493 -13.044 -6.075 429 HE1 HIS 62 HE1 HIS 62 5.946 -14.553 -8.020 430 HE2 HIS 62 HE2 HIS 62 5.028 -13.521 -5.914 431 H LYS 63 HN LYS 63 -0.232 -12.384 -5.629 432 HA LYS 63 HA LYS 63 -1.412 -14.903 -4.784 433 1HB LYS 63 HB2 LYS 63 0.782 -13.649 -3.137 434 2HB LYS 63 HB1 LYS 63 -0.018 -15.191 -2.867 435 1HG LYS 63 HG2 LYS 63 0.958 -15.954 -5.056 436 2HG LYS 63 HG1 LYS 63 1.927 -14.484 -5.034 437 1HD LYS 63 HD2 LYS 63 1.944 -16.209 -2.616 438 2HD LYS 63 HD1 LYS 63 2.834 -16.758 -4.036 439 1HE LYS 63 HE2 LYS 63 4.079 -14.656 -4.076 440 2HE LYS 63 HE1 LYS 63 3.179 -14.088 -2.672 441 1HZ LYS 63 HZ1 LYS 63 5.066 -16.377 -2.773 442 2HZ LYS 63 HZ2 LYS 63 4.099 -16.006 -1.434 443 3HZ LYS 63 HZ3 LYS 63 5.281 -14.913 -1.950 444 H ALA 64 HN ALA 64 -3.288 -13.509 -4.876 445 HA ALA 64 HA ALA 64 -3.621 -11.183 -3.353 446 1HB ALA 64 HB1 ALA 64 -5.401 -11.265 -4.703 447 2HB ALA 64 HB2 ALA 64 -6.133 -12.275 -3.457 448 3HB ALA 64 HB3 ALA 64 -5.328 -13.020 -4.838 449 H GLY 65 HN GLY 65 -2.979 -11.283 -1.232 450 1HA GLY 65 HA2 GLY 65 -3.772 -11.514 1.009 451 2HA GLY 65 HA1 GLY 65 -4.653 -12.950 0.514 452 H GLU 66 HN GLU 66 -1.282 -12.273 -0.220 453 HA GLU 66 HA GLU 66 -0.535 -14.708 1.236 454 1HB GLU 66 HB2 GLU 66 0.049 -14.187 -1.250 455 2HB GLU 66 HB1 GLU 66 1.320 -13.193 -0.558 456 1HG GLU 66 HG2 GLU 66 2.273 -15.298 -1.047 457 2HG GLU 66 HG1 GLU 66 2.091 -15.210 0.701 458 H GLU 67 HN GLU 67 1.571 -14.706 2.366 459 HA GLU 67 HA GLU 67 2.239 -12.093 3.544 460 1HB GLU 67 HB2 GLU 67 2.692 -13.331 5.694 461 2HB GLU 67 HB1 GLU 67 0.997 -13.218 5.245 462 1HG GLU 67 HG2 GLU 67 0.803 -15.411 5.361 463 2HG GLU 67 HG1 GLU 67 2.045 -15.603 4.126 464 H PHE 68 HN PHE 68 4.190 -11.657 2.679 465 HA PHE 68 HA PHE 68 6.293 -13.703 2.960 466 1HB PHE 68 HB2 PHE 68 7.174 -12.950 0.719 467 2HB PHE 68 HB1 PHE 68 5.652 -13.842 0.657 468 HD1 PHE 68 HD1 PHE 68 3.655 -12.824 -0.082 469 HD2 PHE 68 HD2 PHE 68 7.186 -10.521 0.446 470 HE1 PHE 68 HE1 PHE 68 2.585 -10.943 -1.228 471 HE2 PHE 68 HE2 PHE 68 6.123 -8.622 -0.712 472 HZ PHE 68 HZ PHE 68 3.814 -8.836 -1.555 473 H THR 69 HN THR 69 8.500 -12.744 2.656 474 HA THR 69 HA THR 69 8.597 -9.957 3.587 475 HB THR 69 HB THR 69 10.437 -12.160 4.525 476 HG1 THR 69 HG1 THR 69 9.091 -12.549 6.086 477 1HG2 THR 69 1HG2 THR 69 10.830 -9.463 4.670 478 2HG2 THR 69 2HG2 THR 69 11.549 -10.667 5.738 479 3HG2 THR 69 3HG2 THR 69 10.076 -9.826 6.221 480 H ILE 70 HN ILE 70 9.861 -8.652 2.387 481 HA ILE 70 HA ILE 70 12.069 -9.887 0.885 482 HB ILE 70 HB ILE 70 11.576 -8.629 -1.111 483 1HG1 ILE 70 2HG1 ILE 70 10.524 -6.670 0.001 484 2HG1 ILE 70 1HG1 ILE 70 9.596 -7.255 -1.374 485 1HG2 ILE 70 1HG2 ILE 70 10.294 -10.846 -0.369 486 2HG2 ILE 70 2HG2 ILE 70 10.039 -10.068 -1.931 487 3HG2 ILE 70 3HG2 ILE 70 8.906 -9.787 -0.610 488 1HD1 ILE 70 1HD1 ILE 70 8.879 -7.088 1.443 489 2HD1 ILE 70 2HD1 ILE 70 8.470 -8.630 0.690 490 3HD1 ILE 70 3HD1 ILE 70 7.855 -7.125 0.005 491 H ASP 71 HN ASP 71 13.595 -8.217 0.020 492 HA ASP 71 HA ASP 71 13.984 -6.157 2.057 493 1HB ASP 71 HB2 ASP 71 15.855 -7.151 -0.111 494 2HB ASP 71 HB1 ASP 71 16.265 -5.979 1.138 495 H VAL 72 HN VAL 72 14.324 -3.947 1.428 496 HA VAL 72 HA VAL 72 13.840 -3.299 -1.369 497 HB VAL 72 HB VAL 72 12.182 -1.468 -0.525 498 1HG1 VAL 72 1HG1 VAL 72 11.319 -4.343 -0.810 499 2HG1 VAL 72 2HG1 VAL 72 11.647 -3.227 -2.138 500 3HG1 VAL 72 3HG1 VAL 72 10.298 -2.921 -1.040 501 1HG2 VAL 72 1HG2 VAL 72 11.914 -1.622 1.712 502 2HG2 VAL 72 2HG2 VAL 72 12.316 -3.340 1.755 503 3HG2 VAL 72 3HG2 VAL 72 10.713 -2.822 1.248 504 H THR 73 HN THR 73 14.936 -1.512 -2.024 505 HA THR 73 HA THR 73 15.749 0.487 -0.108 506 HB THR 73 HB THR 73 17.696 -1.276 -1.606 507 HG1 THR 73 HG1 THR 73 18.454 -0.841 0.863 508 1HG2 THR 73 1HG2 THR 73 19.236 0.484 -0.161 509 2HG2 THR 73 2HG2 THR 73 18.013 1.521 -0.896 510 3HG2 THR 73 3HG2 THR 73 19.016 0.484 -1.909 511 H PHE 74 HN PHE 74 15.424 2.406 -1.092 512 HA PHE 74 HA PHE 74 14.945 2.432 -3.938 513 1HB PHE 74 HB2 PHE 74 14.689 4.506 -1.775 514 2HB PHE 74 HB1 PHE 74 14.406 4.869 -3.474 515 HD1 PHE 74 HD1 PHE 74 13.414 2.217 -1.028 516 HD2 PHE 74 HD2 PHE 74 12.234 4.874 -4.119 517 HE1 PHE 74 HE1 PHE 74 11.094 1.413 -0.829 518 HE2 PHE 74 HE2 PHE 74 9.914 4.083 -3.936 519 HZ PHE 74 HZ PHE 74 9.341 2.347 -2.286 520 HA PRO 75 HA PRO 75 19.094 3.642 -4.993 521 1HB PRO 75 HB2 PRO 75 18.555 4.539 -7.517 522 2HB PRO 75 HB1 PRO 75 18.728 2.831 -7.099 523 1HG PRO 75 HG2 PRO 75 16.239 4.452 -7.463 524 2HG PRO 75 HG1 PRO 75 16.589 2.798 -8.004 525 1HD PRO 75 HD2 PRO 75 15.099 3.305 -5.822 526 2HD PRO 75 HD1 PRO 75 16.176 1.895 -5.919 527 H GLU 76 HN GLU 76 20.112 5.600 -6.183 528 HA GLU 76 HA GLU 76 19.331 7.949 -4.740 529 1HB GLU 76 HB2 GLU 76 21.515 7.397 -6.741 530 2HB GLU 76 HB1 GLU 76 21.265 8.982 -6.022 531 1HG GLU 76 HG2 GLU 76 21.368 6.927 -4.002 532 2HG GLU 76 HG1 GLU 76 22.807 6.899 -5.019 533 H GLU 77 HN GLU 77 18.171 6.613 -7.527 534 HA GLU 77 HA GLU 77 17.778 9.121 -8.955 535 1HB GLU 77 HB2 GLU 77 16.585 6.502 -9.797 536 2HB GLU 77 HB1 GLU 77 17.108 7.851 -10.794 537 1HG GLU 77 HG2 GLU 77 19.110 6.288 -9.222 538 2HG GLU 77 HG1 GLU 77 18.493 5.666 -10.751 539 H TYR 78 HN TYR 78 15.966 6.727 -7.135 540 HA TYR 78 HA TYR 78 13.370 7.671 -7.717 541 1HB TYR 78 HB2 TYR 78 14.219 5.477 -6.524 542 2HB TYR 78 HB1 TYR 78 14.011 6.431 -5.066 543 HD1 TYR 78 HD1 TYR 78 12.431 4.329 -7.413 544 HD2 TYR 78 HD2 TYR 78 11.675 7.545 -4.731 545 HE1 TYR 78 HE1 TYR 78 10.047 3.752 -7.407 546 HE2 TYR 78 HE2 TYR 78 9.283 6.978 -4.720 547 HH TYR 78 HH TYR 78 7.998 4.404 -5.336 548 H HIS 79 HN HIS 79 14.991 7.945 -4.571 549 HA HIS 79 HA HIS 79 14.666 9.430 -2.877 550 1HB HIS 79 HB2 HIS 79 15.561 11.035 -5.239 551 2HB HIS 79 HB1 HIS 79 15.338 11.789 -3.661 552 HD2 HIS 79 HD2 HIS 79 16.753 8.254 -3.355 553 HE1 HIS 79 HE1 HIS 79 20.039 10.935 -3.101 554 HE2 HIS 79 HE2 HIS 79 19.237 8.580 -2.698 555 H ALA 80 HN ALA 80 12.269 8.947 -2.880 556 HA ALA 80 HA ALA 80 10.546 11.007 -3.950 557 1HB ALA 80 HB1 ALA 80 10.190 8.347 -3.217 558 2HB ALA 80 HB2 ALA 80 8.943 9.478 -3.742 559 3HB ALA 80 HB3 ALA 80 9.276 9.268 -2.024 560 H GLU 81 HN GLU 81 9.360 12.493 -2.758 561 HA GLU 81 HA GLU 81 10.603 13.850 -0.734 562 1HB GLU 81 HB2 GLU 81 8.642 14.571 -2.184 563 2HB GLU 81 HB1 GLU 81 7.609 13.764 -1.013 564 1HG GLU 81 HG2 GLU 81 9.207 15.350 0.562 565 2HG GLU 81 HG1 GLU 81 8.941 16.343 -0.871 566 H ASN 82 HN ASN 82 8.460 11.077 -0.367 567 HA ASN 82 HA ASN 82 8.335 11.518 2.511 568 1HB ASN 82 HB2 ASN 82 6.785 9.551 2.484 569 2HB ASN 82 HB1 ASN 82 6.252 10.927 1.524 570 1HD2 ASN 82 1HD2 ASN 82 8.002 7.872 1.263 571 2HD2 ASN 82 2HD2 ASN 82 7.438 7.479 -0.319 572 H LEU 83 HN LEU 83 9.816 9.197 0.275 573 HA LEU 83 HA LEU 83 11.205 8.076 2.609 574 1HB LEU 83 HB2 LEU 83 10.810 5.870 2.036 575 2HB LEU 83 HB1 LEU 83 9.267 6.653 1.815 576 HG LEU 83 HG LEU 83 9.299 5.349 -0.055 577 1HD1 LEU 83 1HD1 LEU 83 11.024 7.347 -1.409 578 2HD1 LEU 83 2HD1 LEU 83 9.522 7.898 -0.676 579 3HD1 LEU 83 3HD1 LEU 83 9.488 6.645 -1.911 580 1HD2 LEU 83 1HD2 LEU 83 12.192 5.409 0.344 581 2HD2 LEU 83 2HD2 LEU 83 11.667 5.222 -1.318 582 3HD2 LEU 83 3HD2 LEU 83 11.133 4.076 -0.090 583 H LYS 84 HN LYS 84 11.848 9.829 0.137 584 HA LYS 84 HA LYS 84 13.473 8.880 -1.712 585 1HB LYS 84 HB2 LYS 84 14.998 10.807 -1.420 586 2HB LYS 84 HB1 LYS 84 13.303 11.260 -1.362 587 1HG LYS 84 HG2 LYS 84 13.903 10.788 1.279 588 2HG LYS 84 HG1 LYS 84 15.381 11.521 0.652 589 1HD LYS 84 HD2 LYS 84 14.356 13.515 0.185 590 2HD LYS 84 HD1 LYS 84 12.777 12.769 -0.064 591 1HE LYS 84 HE2 LYS 84 12.610 14.000 1.946 592 2HE LYS 84 HE1 LYS 84 12.747 12.307 2.419 593 1HZ LYS 84 HZ1 LYS 84 15.197 12.761 2.674 594 2HZ LYS 84 HZ2 LYS 84 14.190 13.495 3.818 595 3HZ LYS 84 HZ3 LYS 84 14.829 14.408 2.546 596 H GLY 85 HN GLY 85 15.041 7.481 -1.934 597 1HA GLY 85 HA2 GLY 85 16.765 6.051 -1.453 598 2HA GLY 85 HA1 GLY 85 17.436 7.406 -0.561 599 H LYS 86 HN LYS 86 14.728 5.108 -0.070 600 HA LYS 86 HA LYS 86 15.525 4.897 2.732 601 1HB LYS 86 HB2 LYS 86 13.181 5.412 2.256 602 2HB LYS 86 HB1 LYS 86 13.047 3.929 1.319 603 1HG LYS 86 HG2 LYS 86 14.007 3.180 3.846 604 2HG LYS 86 HG1 LYS 86 12.708 4.336 4.123 605 1HD LYS 86 HD2 LYS 86 12.601 1.706 2.668 606 2HD LYS 86 HD1 LYS 86 11.657 2.224 4.062 607 1HE LYS 86 HE2 LYS 86 11.118 4.070 2.007 608 2HE LYS 86 HE1 LYS 86 11.071 2.480 1.259 609 1HZ LYS 86 HZ1 LYS 86 9.691 2.371 3.703 610 2HZ LYS 86 HZ2 LYS 86 9.082 2.157 2.140 611 3HZ LYS 86 HZ3 LYS 86 9.117 3.701 2.830 612 H ALA 87 HN ALA 87 17.354 3.518 2.440 613 HA ALA 87 HA ALA 87 17.037 0.921 1.221 614 1HB ALA 87 HB1 ALA 87 19.222 1.938 1.161 615 2HB ALA 87 HB2 ALA 87 19.304 0.500 2.179 616 3HB ALA 87 HB3 ALA 87 19.241 2.100 2.916 617 H ALA 88 HN ALA 88 15.473 -0.276 2.279 618 HA ALA 88 HA ALA 88 16.013 -0.849 5.110 619 1HB ALA 88 HB1 ALA 88 13.832 -0.393 5.803 620 2HB ALA 88 HB2 ALA 88 13.214 -0.396 4.150 621 3HB ALA 88 HB3 ALA 88 14.228 0.935 4.710 622 H LYS 89 HN LYS 89 14.078 -2.395 5.808 623 HA LYS 89 HA LYS 89 13.952 -4.686 3.957 624 1HB LYS 89 HB2 LYS 89 15.104 -4.533 6.653 625 2HB LYS 89 HB1 LYS 89 13.892 -5.795 6.502 626 1HG LYS 89 HG2 LYS 89 15.334 -7.118 5.476 627 2HG LYS 89 HG1 LYS 89 15.641 -5.894 4.243 628 1HD LYS 89 HD2 LYS 89 16.916 -5.412 6.855 629 2HD LYS 89 HD1 LYS 89 17.511 -6.817 5.970 630 1HE LYS 89 HE2 LYS 89 17.641 -5.204 3.957 631 2HE LYS 89 HE1 LYS 89 17.540 -3.929 5.172 632 1HZ LYS 89 HZ1 LYS 89 19.522 -6.076 5.494 633 2HZ LYS 89 HZ2 LYS 89 19.573 -4.479 6.048 634 3HZ LYS 89 HZ3 LYS 89 19.839 -4.814 4.412 635 H PHE 90 HN PHE 90 11.895 -5.712 3.935 636 HA PHE 90 HA PHE 90 9.934 -4.769 5.906 637 1HB PHE 90 HB2 PHE 90 9.297 -4.923 2.961 638 2HB PHE 90 HB1 PHE 90 8.193 -4.476 4.248 639 HD1 PHE 90 HD1 PHE 90 8.435 -2.927 1.876 640 HD2 PHE 90 HD2 PHE 90 10.723 -2.745 5.436 641 HE1 PHE 90 HE1 PHE 90 8.942 -0.547 1.435 642 HE2 PHE 90 HE2 PHE 90 11.244 -0.383 5.012 643 HZ PHE 90 HZ PHE 90 10.353 0.715 3.001 644 H ALA 91 HN ALA 91 8.061 -6.129 6.134 645 HA ALA 91 HA ALA 91 8.276 -8.772 4.891 646 1HB ALA 91 HB1 ALA 91 8.051 -9.830 6.891 647 2HB ALA 91 HB2 ALA 91 6.926 -8.618 7.505 648 3HB ALA 91 HB3 ALA 91 8.664 -8.322 7.571 649 H ILE 92 HN ILE 92 6.755 -8.558 3.395 650 HA ILE 92 HA ILE 92 4.362 -7.003 3.975 651 HB ILE 92 HB ILE 92 5.320 -8.059 1.330 652 1HG1 ILE 92 2HG1 ILE 92 6.043 -5.559 2.828 653 2HG1 ILE 92 1HG1 ILE 92 7.082 -6.685 1.995 654 1HG2 ILE 92 1HG2 ILE 92 3.273 -6.005 2.086 655 2HG2 ILE 92 2HG2 ILE 92 3.046 -7.504 1.180 656 3HG2 ILE 92 3HG2 ILE 92 3.933 -6.164 0.459 657 1HD1 ILE 92 1HD1 ILE 92 5.706 -4.317 1.014 658 2HD1 ILE 92 2HD1 ILE 92 5.561 -5.719 -0.041 659 3HD1 ILE 92 3HD1 ILE 92 7.156 -5.120 0.416 660 H ASN 93 HN ASN 93 2.345 -7.556 3.035 661 HA ASN 93 HA ASN 93 1.775 -10.405 2.696 662 1HB ASN 93 HB2 ASN 93 1.229 -9.647 5.051 663 2HB ASN 93 HB1 ASN 93 0.050 -8.555 4.345 664 1HD2 ASN 93 1HD2 ASN 93 -1.525 -9.671 2.812 665 2HD2 ASN 93 2HD2 ASN 93 -2.164 -11.180 3.354 666 H LEU 94 HN LEU 94 1.210 -10.372 0.564 667 HA LEU 94 HA LEU 94 0.024 -8.154 -0.724 668 1HB LEU 94 HB2 LEU 94 1.406 -9.941 -1.798 669 2HB LEU 94 HB1 LEU 94 0.019 -11.005 -1.686 670 HG LEU 94 HG LEU 94 -1.223 -9.215 -3.058 671 1HD1 LEU 94 1HD1 LEU 94 -0.092 -7.345 -3.472 672 2HD1 LEU 94 2HD1 LEU 94 0.940 -8.289 -4.545 673 3HD1 LEU 94 3HD1 LEU 94 1.410 -8.041 -2.866 674 1HD2 LEU 94 1HD2 LEU 94 -0.950 -10.655 -4.727 675 2HD2 LEU 94 2HD2 LEU 94 0.278 -11.457 -3.746 676 3HD2 LEU 94 3HD2 LEU 94 0.749 -10.218 -4.910 677 H LYS 95 HN LYS 95 -2.056 -8.008 -1.761 678 HA LYS 95 HA LYS 95 -4.141 -9.775 -0.791 679 1HB LYS 95 HB2 LYS 95 -3.946 -6.874 -0.031 680 2HB LYS 95 HB1 LYS 95 -5.510 -7.663 -0.156 681 1HG LYS 95 HG2 LYS 95 -3.420 -8.979 1.485 682 2HG LYS 95 HG1 LYS 95 -4.192 -7.528 2.121 683 1HD LYS 95 HD2 LYS 95 -6.365 -8.535 1.931 684 2HD LYS 95 HD1 LYS 95 -5.689 -9.940 1.106 685 1HE LYS 95 HE2 LYS 95 -4.261 -9.707 3.503 686 2HE LYS 95 HE1 LYS 95 -5.949 -9.421 3.926 687 1HZ LYS 95 HZ1 LYS 95 -6.376 -11.512 2.523 688 2HZ LYS 95 HZ2 LYS 95 -5.741 -11.701 4.079 689 3HZ LYS 95 HZ3 LYS 95 -4.725 -11.821 2.733 690 H LYS 96 HN LYS 96 -5.280 -6.720 -1.769 691 HA LYS 96 HA LYS 96 -6.466 -7.818 -4.092 692 1HB LYS 96 HB2 LYS 96 -6.790 -5.497 -2.504 693 2HB LYS 96 HB1 LYS 96 -6.572 -4.964 -4.166 694 1HG LYS 96 HG2 LYS 96 -8.824 -5.242 -4.143 695 2HG LYS 96 HG1 LYS 96 -8.337 -6.865 -4.640 696 1HD LYS 96 HD2 LYS 96 -8.464 -7.597 -2.292 697 2HD LYS 96 HD1 LYS 96 -9.009 -5.981 -1.834 698 1HE LYS 96 HE2 LYS 96 -10.830 -6.439 -3.679 699 2HE LYS 96 HE1 LYS 96 -10.442 -8.123 -3.329 700 1HZ LYS 96 HZ1 LYS 96 -10.893 -6.427 -1.018 701 2HZ LYS 96 HZ2 LYS 96 -11.398 -8.014 -1.312 702 3HZ LYS 96 HZ3 LYS 96 -12.252 -6.718 -1.982 703 H VAL 97 HN VAL 97 -5.198 -8.385 -5.756 704 HA VAL 97 HA VAL 97 -3.319 -6.408 -6.849 705 HB VAL 97 HB VAL 97 -2.105 -8.367 -6.349 706 1HG1 VAL 97 1HG1 VAL 97 -3.142 -10.582 -7.538 707 2HG1 VAL 97 2HG1 VAL 97 -4.601 -9.744 -7.015 708 3HG1 VAL 97 3HG1 VAL 97 -3.351 -10.158 -5.839 709 1HG2 VAL 97 1HG2 VAL 97 -2.528 -7.670 -9.063 710 2HG2 VAL 97 2HG2 VAL 97 -2.367 -9.423 -8.982 711 3HG2 VAL 97 3HG2 VAL 97 -1.099 -8.391 -8.328 712 H GLU 98 HN GLU 98 -4.346 -5.269 -8.411 713 HA GLU 98 HA GLU 98 -5.784 -6.777 -10.486 714 1HB GLU 98 HB2 GLU 98 -6.736 -4.170 -9.289 715 2HB GLU 98 HB1 GLU 98 -7.522 -5.069 -10.581 716 1HG GLU 98 HG2 GLU 98 -8.513 -6.480 -9.156 717 2HG GLU 98 HG1 GLU 98 -7.072 -6.633 -8.155 718 H GLU 99 HN GLU 99 -6.166 -5.324 -12.498 719 HA GLU 99 HA GLU 99 -3.613 -4.071 -13.118 720 1HB GLU 99 HB2 GLU 99 -4.503 -5.755 -14.657 721 2HB GLU 99 HB1 GLU 99 -5.903 -4.732 -14.956 722 1HG GLU 99 HG2 GLU 99 -3.676 -3.109 -15.424 723 2HG GLU 99 HG1 GLU 99 -3.298 -4.662 -16.165 724 H ARG 100 HN ARG 100 -3.735 -2.081 -12.103 725 HA ARG 100 HA ARG 100 -5.858 -0.224 -12.443 726 1HB ARG 100 HB2 ARG 100 -4.344 1.394 -11.474 727 2HB ARG 100 HB1 ARG 100 -4.188 -0.130 -10.608 728 1HG ARG 100 HG2 ARG 100 -2.007 -0.131 -11.002 729 2HG ARG 100 HG1 ARG 100 -2.318 -0.161 -12.734 730 1HD ARG 100 HD2 ARG 100 -2.618 2.455 -11.408 731 2HD ARG 100 HD1 ARG 100 -0.981 1.811 -11.491 732 HE ARG 100 HE ARG 100 -2.692 2.179 -13.862 733 1HH1 ARG 100 1HH1 ARG 100 0.420 2.400 -12.283 734 2HH1 ARG 100 2HH1 ARG 100 1.233 2.951 -13.706 735 1HH2 ARG 100 1HH2 ARG 100 -1.617 2.895 -15.723 736 2HH2 ARG 100 2HH2 ARG 100 0.081 3.233 -15.657 737 H GLU 101 HN GLU 101 -5.409 1.987 -13.407 738 HA GLU 101 HA GLU 101 -3.623 2.204 -15.612 739 1HB GLU 101 HB2 GLU 101 -5.724 0.727 -16.328 740 2HB GLU 101 HB1 GLU 101 -6.443 2.315 -16.560 741 1HG GLU 101 HG2 GLU 101 -3.856 2.327 -17.732 742 2HG GLU 101 HG1 GLU 101 -4.713 0.889 -18.283 743 H LEU 102 HN LEU 102 -3.255 4.029 -14.141 744 HA LEU 102 HA LEU 102 -5.231 6.088 -13.909 745 1HB LEU 102 HB2 LEU 102 -2.320 5.869 -13.221 746 2HB LEU 102 HB1 LEU 102 -3.141 7.415 -13.128 747 HG LEU 102 HG LEU 102 -4.577 6.670 -11.396 748 1HD1 LEU 102 1HD1 LEU 102 -4.355 4.250 -10.582 749 2HD1 LEU 102 2HD1 LEU 102 -3.642 3.926 -12.160 750 3HD1 LEU 102 3HD1 LEU 102 -5.288 4.546 -12.049 751 1HD2 LEU 102 1HD2 LEU 102 -1.887 5.443 -10.814 752 2HD2 LEU 102 2HD2 LEU 102 -3.046 6.084 -9.650 753 3HD2 LEU 102 3HD2 LEU 102 -2.221 7.173 -10.764 754 HA PRO 103 HA PRO 103 -4.405 7.935 -17.887 755 1HB PRO 103 HB2 PRO 103 -5.877 10.183 -17.572 756 2HB PRO 103 HB1 PRO 103 -6.609 8.601 -17.864 757 1HG PRO 103 HG2 PRO 103 -6.259 10.080 -15.284 758 2HG PRO 103 HG1 PRO 103 -7.670 9.184 -15.877 759 1HD PRO 103 HD2 PRO 103 -5.919 8.145 -14.083 760 2HD PRO 103 HD1 PRO 103 -6.792 7.146 -15.262 761 H GLU 104 HN GLU 104 -2.643 9.015 -18.490 762 HA GLU 104 HA GLU 104 -1.275 10.735 -16.606 763 1HB GLU 104 HB2 GLU 104 -0.312 8.985 -18.374 764 2HB GLU 104 HB1 GLU 104 -0.306 10.411 -19.402 765 1HG GLU 104 HG2 GLU 104 1.209 11.542 -18.020 766 2HG GLU 104 HG1 GLU 104 0.953 10.421 -16.684 767 H LEU 105 HN LEU 105 -2.350 11.073 -19.992 768 HA LEU 105 HA LEU 105 -2.479 13.980 -19.576 769 1HB LEU 105 HB2 LEU 105 -1.992 12.264 -21.972 770 2HB LEU 105 HB1 LEU 105 -2.695 13.854 -22.195 771 HG LEU 105 HG LEU 105 -0.039 13.284 -20.876 772 1HD1 LEU 105 1HD1 LEU 105 0.910 14.352 -22.870 773 2HD1 LEU 105 2HD1 LEU 105 -0.703 14.444 -23.578 774 3HD1 LEU 105 3HD1 LEU 105 0.034 12.873 -23.264 775 1HD2 LEU 105 1HD2 LEU 105 -1.763 15.615 -20.891 776 2HD2 LEU 105 2HD2 LEU 105 -0.177 15.960 -21.580 777 3HD2 LEU 105 3HD2 LEU 105 -0.305 15.294 -19.953 778 H THR 106 HN THR 106 -4.201 15.013 -21.102 779 HA THR 106 HA THR 106 -6.683 13.437 -20.984 780 HB THR 106 HB THR 106 -6.565 16.379 -20.327 781 HG1 THR 106 HG1 THR 106 -6.743 15.684 -18.137 782 1HG2 THR 106 1HG2 THR 106 -8.703 15.898 -19.185 783 2HG2 THR 106 2HG2 THR 106 -8.653 14.268 -19.854 784 3HG2 THR 106 3HG2 THR 106 -8.764 15.660 -20.930 Start of MODEL 28 1 1H GLY 1 HT1 GLY 1 -13.645 24.447 -0.859 2 2H GLY 1 HT2 GLY 1 -12.597 25.735 -0.549 3 3H GLY 1 HT3 GLY 1 -12.291 24.217 0.130 4 1HA GLY 1 HA1 GLY 1 -11.683 25.222 -2.508 5 2HA GLY 1 HA2 GLY 1 -10.884 23.964 -1.577 6 H SER 2 HN SER 2 -10.771 22.808 -3.610 7 HA SER 2 HA SER 2 -13.333 21.619 -4.435 8 1HB SER 2 HB2 SER 2 -10.830 21.281 -6.034 9 2HB SER 2 HB1 SER 2 -12.504 21.372 -6.580 10 HG SER 2 HG SER 2 -12.370 23.646 -5.840 11 H HIS 3 HN HIS 3 -13.570 19.398 -4.569 12 HA HIS 3 HA HIS 3 -11.878 17.882 -2.792 13 1HB HIS 3 HB2 HIS 3 -14.455 17.728 -3.052 14 2HB HIS 3 HB1 HIS 3 -14.100 16.713 -4.447 15 HD2 HIS 3 HD2 HIS 3 -13.973 16.558 -0.563 16 HE1 HIS 3 HE1 HIS 3 -12.930 12.736 -2.087 17 HE2 HIS 3 HE2 HIS 3 -13.533 14.065 -0.031 18 H MET 4 HN MET 4 -10.830 15.897 -3.340 19 HA MET 4 HA MET 4 -10.431 15.257 -6.138 20 1HB MET 4 HB2 MET 4 -8.691 17.067 -5.019 21 2HB MET 4 HB1 MET 4 -7.850 15.543 -4.769 22 1HG MET 4 HG2 MET 4 -7.119 15.664 -6.848 23 2HG MET 4 HG1 MET 4 -8.779 15.461 -7.403 24 1HE MET 4 HE1 MET 4 -7.161 16.785 -9.483 25 2HE MET 4 HE2 MET 4 -5.908 17.244 -8.329 26 3HE MET 4 HE3 MET 4 -6.708 18.480 -9.299 27 H GLN 5 HN GLN 5 -11.326 13.258 -5.601 28 HA GLN 5 HA GLN 5 -9.936 11.622 -3.614 29 1HB GLN 5 HB2 GLN 5 -12.500 11.840 -3.809 30 2HB GLN 5 HB1 GLN 5 -12.349 10.785 -5.206 31 1HG GLN 5 HG2 GLN 5 -12.900 9.418 -3.365 32 2HG GLN 5 HG1 GLN 5 -11.198 9.132 -3.720 33 1HE2 GLN 5 1HE2 GLN 5 -9.621 10.031 -2.324 34 2HE2 GLN 5 2HE2 GLN 5 -10.011 10.439 -0.692 35 H ALA 6 HN ALA 6 -9.316 9.423 -4.144 36 HA ALA 6 HA ALA 6 -7.846 9.297 -6.588 37 1HB ALA 6 HB1 ALA 6 -6.927 8.314 -4.589 38 2HB ALA 6 HB2 ALA 6 -7.184 7.049 -5.791 39 3HB ALA 6 HB3 ALA 6 -8.308 7.228 -4.444 40 H THR 7 HN THR 7 -8.133 7.943 -8.339 41 HA THR 7 HA THR 7 -10.743 6.587 -8.523 42 HB THR 7 HB THR 7 -9.405 8.019 -10.819 43 HG1 THR 7 HG1 THR 7 -10.055 9.486 -9.158 44 1HG2 THR 7 1HG2 THR 7 -11.042 7.265 -12.096 45 2HG2 THR 7 2HG2 THR 7 -12.260 7.828 -10.952 46 3HG2 THR 7 3HG2 THR 7 -11.544 6.227 -10.762 47 H TRP 8 HN TRP 8 -10.803 4.637 -9.605 48 HA TRP 8 HA TRP 8 -8.324 3.665 -10.805 49 1HB TRP 8 HB2 TRP 8 -9.789 2.286 -8.552 50 2HB TRP 8 HB1 TRP 8 -8.570 1.501 -9.554 51 HD1 TRP 8 HD1 TRP 8 -8.845 4.578 -7.209 52 HE1 TRP 8 HE1 TRP 8 -6.558 4.922 -6.085 53 HE3 TRP 8 HE3 TRP 8 -6.214 0.872 -9.565 54 HZ2 TRP 8 HZ2 TRP 8 -3.973 3.774 -6.189 55 HZ3 TRP 8 HZ3 TRP 8 -3.851 0.573 -8.992 56 HH2 TRP 8 HH2 TRP 8 -2.748 1.985 -7.346 57 H LYS 9 HN LYS 9 -8.599 1.652 -11.998 58 HA LYS 9 HA LYS 9 -11.319 0.974 -12.795 59 1HB LYS 9 HB2 LYS 9 -9.374 1.482 -15.003 60 2HB LYS 9 HB1 LYS 9 -11.129 1.544 -15.028 61 1HG LYS 9 HG2 LYS 9 -11.183 3.682 -14.087 62 2HG LYS 9 HG1 LYS 9 -9.511 3.573 -13.529 63 1HD LYS 9 HD2 LYS 9 -8.849 3.440 -15.968 64 2HD LYS 9 HD1 LYS 9 -10.510 3.899 -16.347 65 1HE LYS 9 HE2 LYS 9 -9.445 5.659 -14.348 66 2HE LYS 9 HE1 LYS 9 -8.348 5.588 -15.728 67 1HZ LYS 9 HZ1 LYS 9 -9.729 7.132 -16.553 68 2HZ LYS 9 HZ2 LYS 9 -11.013 6.702 -15.541 69 3HZ LYS 9 HZ3 LYS 9 -10.714 5.814 -16.948 70 H GLU 10 HN GLU 10 -8.831 -0.182 -11.491 71 HA GLU 10 HA GLU 10 -7.711 -2.101 -13.197 72 1HB GLU 10 HB2 GLU 10 -6.916 -3.177 -11.110 73 2HB GLU 10 HB1 GLU 10 -6.575 -1.457 -11.184 74 1HG GLU 10 HG2 GLU 10 -8.913 -1.365 -9.903 75 2HG GLU 10 HG1 GLU 10 -8.364 -2.955 -9.384 76 H LYS 11 HN LYS 11 -8.091 -4.230 -13.557 77 HA LYS 11 HA LYS 11 -10.785 -5.116 -13.443 78 1HB LYS 11 HB2 LYS 11 -9.926 -7.177 -14.456 79 2HB LYS 11 HB1 LYS 11 -9.259 -5.760 -15.252 80 1HG LYS 11 HG2 LYS 11 -7.174 -6.030 -14.087 81 2HG LYS 11 HG1 LYS 11 -7.828 -7.363 -13.150 82 1HD LYS 11 HD2 LYS 11 -8.075 -8.699 -15.162 83 2HD LYS 11 HD1 LYS 11 -7.524 -7.345 -16.151 84 1HE LYS 11 HE2 LYS 11 -5.344 -7.618 -15.556 85 2HE LYS 11 HE1 LYS 11 -5.744 -8.231 -13.953 86 1HZ LYS 11 HZ1 LYS 11 -4.825 -9.764 -15.903 87 2HZ LYS 11 HZ2 LYS 11 -6.482 -9.922 -16.202 88 3HZ LYS 11 HZ3 LYS 11 -5.852 -10.344 -14.691 89 H ASP 12 HN ASP 12 -10.233 -7.946 -12.819 90 HA ASP 12 HA ASP 12 -9.769 -7.767 -9.924 91 1HB ASP 12 HB2 ASP 12 -12.253 -7.890 -10.722 92 2HB ASP 12 HB1 ASP 12 -11.887 -9.587 -11.017 93 H GLY 13 HN GLY 13 -8.204 -8.786 -12.306 94 1HA GLY 13 HA2 GLY 13 -7.973 -11.620 -11.572 95 2HA GLY 13 HA1 GLY 13 -7.345 -10.891 -13.043 96 H ALA 14 HN ALA 14 -5.359 -12.019 -12.486 97 HA ALA 14 HA ALA 14 -3.898 -11.396 -10.136 98 1HB ALA 14 HB1 ALA 14 -2.075 -12.230 -12.093 99 2HB ALA 14 HB2 ALA 14 -3.580 -13.083 -12.431 100 3HB ALA 14 HB3 ALA 14 -2.836 -13.208 -10.839 101 H VAL 15 HN VAL 15 -1.370 -10.804 -10.862 102 HA VAL 15 HA VAL 15 -1.455 -7.967 -11.265 103 HB VAL 15 HB VAL 15 0.266 -9.023 -9.866 104 1HG1 VAL 15 1HG1 VAL 15 0.534 -10.853 -11.835 105 2HG1 VAL 15 2HG1 VAL 15 1.718 -10.587 -10.556 106 3HG1 VAL 15 3HG1 VAL 15 1.939 -9.831 -12.134 107 1HG2 VAL 15 1HG2 VAL 15 0.608 -6.934 -11.703 108 2HG2 VAL 15 2HG2 VAL 15 2.108 -7.857 -11.720 109 3HG2 VAL 15 3HG2 VAL 15 1.484 -7.212 -10.203 110 H GLU 16 HN GLU 16 -0.585 -6.767 -13.048 111 HA GLU 16 HA GLU 16 -0.044 -8.299 -15.468 112 1HB GLU 16 HB2 GLU 16 -2.270 -6.393 -15.054 113 2HB GLU 16 HB1 GLU 16 -1.368 -6.199 -16.547 114 1HG GLU 16 HG2 GLU 16 -1.744 -8.846 -16.602 115 2HG GLU 16 HG1 GLU 16 -3.163 -8.367 -15.672 116 H ALA 17 HN ALA 17 0.976 -6.977 -17.120 117 HA ALA 17 HA ALA 17 3.345 -6.040 -16.776 118 1HB ALA 17 HB1 ALA 17 2.561 -3.898 -18.303 119 2HB ALA 17 HB2 ALA 17 1.271 -5.069 -18.578 120 3HB ALA 17 HB3 ALA 17 2.947 -5.510 -18.906 121 H GLU 18 HN GLU 18 0.995 -3.332 -16.634 122 HA GLU 18 HA GLU 18 2.643 -2.226 -14.450 123 1HB GLU 18 HB2 GLU 18 1.844 0.025 -15.273 124 2HB GLU 18 HB1 GLU 18 2.957 -0.830 -16.330 125 1HG GLU 18 HG2 GLU 18 0.810 -1.680 -17.495 126 2HG GLU 18 HG1 GLU 18 0.035 -0.329 -16.669 127 H ASP 19 HN ASP 19 1.163 -3.534 -13.094 128 HA ASP 19 HA ASP 19 -1.505 -2.374 -12.735 129 1HB ASP 19 HB2 ASP 19 -0.187 -4.923 -11.846 130 2HB ASP 19 HB1 ASP 19 -1.722 -4.396 -11.169 131 H ARG 20 HN ARG 20 -2.139 -2.835 -10.193 132 HA ARG 20 HA ARG 20 -0.116 -1.750 -8.412 133 1HB ARG 20 HB2 ARG 20 -2.020 -0.041 -9.537 134 2HB ARG 20 HB1 ARG 20 -2.646 -0.409 -7.940 135 1HG ARG 20 HG2 ARG 20 -1.163 0.902 -6.952 136 2HG ARG 20 HG1 ARG 20 0.170 0.205 -7.857 137 1HD ARG 20 HD2 ARG 20 -0.150 1.696 -9.667 138 2HD ARG 20 HD1 ARG 20 -1.712 2.227 -9.041 139 HE ARG 20 HE ARG 20 0.510 2.733 -7.278 140 1HH1 ARG 20 1HH1 ARG 20 -1.432 3.995 -9.893 141 2HH1 ARG 20 2HH1 ARG 20 -1.001 5.641 -9.576 142 1HH2 ARG 20 1HH2 ARG 20 1.068 4.888 -6.863 143 2HH2 ARG 20 2HH2 ARG 20 0.419 6.150 -7.858 144 H VAL 21 HN VAL 21 -0.122 -3.287 -6.828 145 HA VAL 21 HA VAL 21 -2.643 -4.587 -6.124 146 HB VAL 21 HB VAL 21 -1.334 -6.207 -4.918 147 1HG1 VAL 21 1HG1 VAL 21 -1.473 -6.291 -7.446 148 2HG1 VAL 21 2HG1 VAL 21 -0.179 -7.238 -6.702 149 3HG1 VAL 21 3HG1 VAL 21 0.182 -5.685 -7.460 150 1HG2 VAL 21 1HG2 VAL 21 0.748 -4.132 -5.078 151 2HG2 VAL 21 2HG2 VAL 21 1.305 -5.791 -5.310 152 3HG2 VAL 21 3HG2 VAL 21 0.445 -5.348 -3.836 153 H THR 22 HN THR 22 -2.833 -5.138 -3.694 154 HA THR 22 HA THR 22 -2.277 -2.706 -2.117 155 HB THR 22 HB THR 22 -4.631 -4.604 -1.936 156 HG1 THR 22 HG1 THR 22 -5.271 -3.229 -3.407 157 1HG2 THR 22 1HG2 THR 22 -4.888 -3.978 0.169 158 2HG2 THR 22 2HG2 THR 22 -5.165 -2.338 -0.415 159 3HG2 THR 22 3HG2 THR 22 -3.541 -2.842 0.062 160 H ILE 23 HN ILE 23 -0.713 -3.124 -0.661 161 HA ILE 23 HA ILE 23 -0.719 -5.789 0.600 162 HB ILE 23 HB ILE 23 1.775 -5.648 0.653 163 1HG1 ILE 23 2HG1 ILE 23 1.942 -3.858 -1.634 164 2HG1 ILE 23 1HG1 ILE 23 1.387 -3.050 -0.169 165 1HG2 ILE 23 1HG2 ILE 23 1.646 -7.051 -1.062 166 2HG2 ILE 23 2HG2 ILE 23 1.511 -5.693 -2.180 167 3HG2 ILE 23 3HG2 ILE 23 0.057 -6.396 -1.467 168 1HD1 ILE 23 1HD1 ILE 23 3.346 -3.986 1.015 169 2HD1 ILE 23 2HD1 ILE 23 3.764 -2.889 -0.297 170 3HD1 ILE 23 3HD1 ILE 23 3.917 -4.622 -0.522 171 H ASP 24 HN ASP 24 0.098 -5.972 2.678 172 HA ASP 24 HA ASP 24 0.416 -3.460 4.209 173 1HB ASP 24 HB2 ASP 24 -0.404 -4.886 6.181 174 2HB ASP 24 HB1 ASP 24 -1.620 -4.421 5.001 175 H PHE 25 HN PHE 25 2.438 -3.311 5.165 176 HA PHE 25 HA PHE 25 3.822 -5.815 5.800 177 1HB PHE 25 HB2 PHE 25 5.827 -5.213 4.650 178 2HB PHE 25 HB1 PHE 25 4.490 -5.067 3.512 179 HD1 PHE 25 HD1 PHE 25 4.213 -3.117 2.297 180 HD2 PHE 25 HD2 PHE 25 6.604 -3.055 5.812 181 HE1 PHE 25 HE1 PHE 25 4.845 -0.794 1.830 182 HE2 PHE 25 HE2 PHE 25 7.235 -0.717 5.342 183 HZ PHE 25 HZ PHE 25 6.341 0.408 3.344 184 H THR 26 HN THR 26 5.897 -5.451 6.952 185 HA THR 26 HA THR 26 6.090 -2.990 8.491 186 HB THR 26 HB THR 26 5.751 -5.655 9.876 187 HG1 THR 26 HG1 THR 26 3.745 -5.141 9.248 188 1HG2 THR 26 1HG2 THR 26 6.692 -4.613 11.593 189 2HG2 THR 26 2HG2 THR 26 5.207 -3.667 11.685 190 3HG2 THR 26 3HG2 THR 26 6.598 -3.040 10.802 191 H GLY 27 HN GLY 27 8.198 -2.474 8.358 192 1HA GLY 27 HA2 GLY 27 10.200 -4.449 9.083 193 2HA GLY 27 HA1 GLY 27 10.275 -3.904 7.421 194 H SER 28 HN SER 28 12.443 -3.547 8.914 195 HA SER 28 HA SER 28 12.412 -0.726 9.771 196 1HB SER 28 HB2 SER 28 14.839 -1.699 10.589 197 2HB SER 28 HB1 SER 28 13.388 -1.671 11.591 198 HG SER 28 HG SER 28 13.913 -3.747 11.670 199 H VAL 29 HN VAL 29 14.678 0.293 9.506 200 HA VAL 29 HA VAL 29 15.680 -0.271 6.813 201 HB VAL 29 HB VAL 29 14.547 1.781 6.580 202 1HG1 VAL 29 1HG1 VAL 29 14.290 3.413 8.115 203 2HG1 VAL 29 2HG1 VAL 29 15.936 3.258 8.722 204 3HG1 VAL 29 3HG1 VAL 29 14.697 2.110 9.229 205 1HG2 VAL 29 1HG2 VAL 29 16.217 2.692 5.448 206 2HG2 VAL 29 2HG2 VAL 29 17.354 1.677 6.335 207 3HG2 VAL 29 3HG2 VAL 29 16.947 3.282 6.941 208 H ASP 30 HN ASP 30 16.764 1.712 9.591 209 HA ASP 30 HA ASP 30 19.453 0.646 9.186 210 1HB ASP 30 HB2 ASP 30 18.810 3.183 9.513 211 2HB ASP 30 HB1 ASP 30 18.812 2.752 11.221 212 H GLY 31 HN GLY 31 17.485 -1.086 10.216 213 1HA GLY 31 HA2 GLY 31 17.790 -2.809 11.814 214 2HA GLY 31 HA1 GLY 31 18.678 -1.677 12.826 215 H GLU 32 HN GLU 32 16.367 0.278 12.086 216 HA GLU 32 HA GLU 32 14.327 -0.818 13.886 217 1HB GLU 32 HB2 GLU 32 15.366 2.014 14.057 218 2HB GLU 32 HB1 GLU 32 14.189 1.250 15.117 219 1HG GLU 32 HG2 GLU 32 15.763 0.150 16.309 220 2HG GLU 32 HG1 GLU 32 16.834 -0.048 14.923 221 H GLU 33 HN GLU 33 12.317 -0.531 13.183 222 HA GLU 33 HA GLU 33 11.720 0.383 10.644 223 1HB GLU 33 HB2 GLU 33 9.342 0.278 11.413 224 2HB GLU 33 HB1 GLU 33 10.270 -1.183 11.708 225 1HG GLU 33 HG2 GLU 33 10.539 0.432 13.998 226 2HG GLU 33 HG1 GLU 33 8.833 0.449 13.548 227 H PHE 34 HN PHE 34 11.642 2.338 9.840 228 HA PHE 34 HA PHE 34 11.598 4.660 11.508 229 1HB PHE 34 HB2 PHE 34 12.087 5.855 9.448 230 2HB PHE 34 HB1 PHE 34 13.149 4.471 9.622 231 HD1 PHE 34 HD1 PHE 34 11.142 6.250 7.388 232 HD2 PHE 34 HD2 PHE 34 12.269 2.265 8.380 233 HE1 PHE 34 HE1 PHE 34 10.528 5.513 5.127 234 HE2 PHE 34 HE2 PHE 34 11.648 1.527 6.123 235 HZ PHE 34 HZ PHE 34 10.778 3.150 4.491 236 H GLU 35 HN GLU 35 10.272 5.918 9.003 237 HA GLU 35 HA GLU 35 7.706 6.296 10.170 238 1HB GLU 35 HB2 GLU 35 9.010 7.161 7.604 239 2HB GLU 35 HB1 GLU 35 7.297 7.445 7.878 240 1HG GLU 35 HG2 GLU 35 7.845 9.323 8.902 241 2HG GLU 35 HG1 GLU 35 8.563 8.354 10.188 242 H GLY 36 HN GLY 36 8.797 4.819 7.119 243 1HA GLY 36 HA2 GLY 36 6.200 3.635 6.647 244 2HA GLY 36 HA1 GLY 36 7.621 3.475 5.629 245 H GLY 37 HN GLY 37 8.257 2.816 8.898 246 1HA GLY 37 HA2 GLY 37 9.047 0.194 8.450 247 2HA GLY 37 HA1 GLY 37 8.711 0.889 10.024 248 H LYS 38 HN LYS 38 5.883 1.360 8.623 249 HA LYS 38 HA LYS 38 4.872 -1.352 8.716 250 1HB LYS 38 HB2 LYS 38 4.743 -0.710 11.056 251 2HB LYS 38 HB1 LYS 38 3.915 0.779 10.629 252 1HG LYS 38 HG2 LYS 38 2.067 -0.623 9.689 253 2HG LYS 38 HG1 LYS 38 2.875 -2.030 10.382 254 1HD LYS 38 HD2 LYS 38 1.224 -1.371 11.947 255 2HD LYS 38 HD1 LYS 38 2.771 -0.841 12.607 256 1HE LYS 38 HE2 LYS 38 1.307 0.971 12.926 257 2HE LYS 38 HE1 LYS 38 2.290 1.408 11.529 258 1HZ LYS 38 HZ1 LYS 38 0.335 1.820 10.565 259 2HZ LYS 38 HZ2 LYS 38 -0.544 0.933 11.706 260 3HZ LYS 38 HZ3 LYS 38 0.190 0.143 10.403 261 H ALA 39 HN ALA 39 3.219 -1.635 7.381 262 HA ALA 39 HA ALA 39 1.632 0.636 6.477 263 1HB ALA 39 HB1 ALA 39 1.956 -0.384 4.075 264 2HB ALA 39 HB2 ALA 39 3.482 -0.953 4.755 265 3HB ALA 39 HB3 ALA 39 3.120 0.772 4.726 266 H SER 40 HN SER 40 -0.424 0.067 5.782 267 HA SER 40 HA SER 40 -1.117 -2.771 6.167 268 1HB SER 40 HB2 SER 40 -3.242 -0.710 6.386 269 2HB SER 40 HB1 SER 40 -3.003 -2.187 7.319 270 HG SER 40 HG SER 40 -2.543 -0.533 8.687 271 H ASP 41 HN ASP 41 -2.453 0.122 4.529 272 HA ASP 41 HA ASP 41 -3.257 -1.583 2.313 273 1HB ASP 41 HB2 ASP 41 -4.199 1.179 3.133 274 2HB ASP 41 HB1 ASP 41 -4.721 0.335 1.679 275 H PHE 42 HN PHE 42 -0.858 -1.511 1.829 276 HA PHE 42 HA PHE 42 0.019 1.058 0.760 277 1HB PHE 42 HB2 PHE 42 1.584 -0.314 2.153 278 2HB PHE 42 HB1 PHE 42 1.575 -1.535 0.887 279 HD1 PHE 42 HD1 PHE 42 3.806 -1.502 0.173 280 HD2 PHE 42 HD2 PHE 42 1.637 2.148 0.459 281 HE1 PHE 42 HE1 PHE 42 5.629 -0.330 -0.989 282 HE2 PHE 42 HE2 PHE 42 3.461 3.328 -0.694 283 HZ PHE 42 HZ PHE 42 5.460 2.088 -1.421 284 H VAL 43 HN VAL 43 -0.786 1.491 -1.180 285 HA VAL 43 HA VAL 43 -1.384 -0.574 -3.073 286 HB VAL 43 HB VAL 43 -2.777 1.445 -2.803 287 1HG1 VAL 43 1HG1 VAL 43 -0.922 3.036 -2.419 288 2HG1 VAL 43 2HG1 VAL 43 -2.089 3.589 -3.619 289 3HG1 VAL 43 3HG1 VAL 43 -0.533 2.943 -4.136 290 1HG2 VAL 43 1HG2 VAL 43 -3.484 1.021 -4.861 291 2HG2 VAL 43 2HG2 VAL 43 -1.951 0.218 -5.207 292 3HG2 VAL 43 3HG2 VAL 43 -2.140 1.940 -5.537 293 H LEU 44 HN LEU 44 0.395 -1.558 -3.853 294 HA LEU 44 HA LEU 44 2.686 0.018 -4.703 295 1HB LEU 44 HB2 LEU 44 2.399 -2.483 -3.575 296 2HB LEU 44 HB1 LEU 44 2.763 -2.844 -5.251 297 HG LEU 44 HG LEU 44 4.459 -1.401 -3.240 298 1HD1 LEU 44 1HD1 LEU 44 4.555 -3.909 -4.801 299 2HD1 LEU 44 2HD1 LEU 44 5.066 -3.582 -3.143 300 3HD1 LEU 44 3HD1 LEU 44 6.069 -3.071 -4.498 301 1HD2 LEU 44 1HD2 LEU 44 4.623 -1.280 -6.238 302 2HD2 LEU 44 2HD2 LEU 44 6.040 -1.050 -5.211 303 3HD2 LEU 44 3HD2 LEU 44 4.666 0.048 -5.078 304 H ALA 45 HN ALA 45 3.272 0.381 -6.758 305 HA ALA 45 HA ALA 45 1.412 -0.476 -8.859 306 1HB ALA 45 HB1 ALA 45 1.958 1.964 -8.500 307 2HB ALA 45 HB2 ALA 45 2.156 1.360 -10.143 308 3HB ALA 45 HB3 ALA 45 3.569 1.604 -9.117 309 H MET 46 HN MET 46 2.014 -2.374 -9.707 310 HA MET 46 HA MET 46 4.706 -3.255 -9.886 311 1HB MET 46 HB2 MET 46 2.068 -4.304 -10.483 312 2HB MET 46 HB1 MET 46 3.237 -4.758 -11.715 313 1HG MET 46 HG2 MET 46 3.637 -5.177 -8.766 314 2HG MET 46 HG1 MET 46 3.003 -6.389 -9.871 315 1HE MET 46 HE1 MET 46 5.952 -7.448 -12.015 316 2HE MET 46 HE2 MET 46 4.629 -6.367 -12.458 317 3HE MET 46 HE3 MET 46 4.314 -7.784 -11.455 318 H GLY 47 HN GLY 47 5.640 -1.414 -10.936 319 1HA GLY 47 HA2 GLY 47 6.863 -0.992 -12.941 320 2HA GLY 47 HA1 GLY 47 5.544 -1.704 -13.856 321 H GLN 48 HN GLN 48 6.266 1.099 -11.773 322 HA GLN 48 HA GLN 48 4.641 2.729 -13.610 323 1HB GLN 48 HB2 GLN 48 4.393 2.430 -10.712 324 2HB GLN 48 HB1 GLN 48 4.552 4.106 -11.214 325 1HG GLN 48 HG2 GLN 48 2.595 2.307 -12.574 326 2HG GLN 48 HG1 GLN 48 2.206 3.045 -11.020 327 1HE2 GLN 48 1HE2 GLN 48 3.110 3.724 -14.347 328 2HE2 GLN 48 2HE2 GLN 48 2.421 5.308 -14.405 329 H GLY 49 HN GLY 49 6.909 3.213 -10.889 330 1HA GLY 49 HA2 GLY 49 8.226 5.314 -12.467 331 2HA GLY 49 HA1 GLY 49 8.377 5.088 -10.728 332 H ARG 50 HN ARG 50 9.150 2.626 -10.333 333 HA ARG 50 HA ARG 50 10.979 1.451 -12.078 334 1HB ARG 50 HB2 ARG 50 13.123 2.144 -11.143 335 2HB ARG 50 HB1 ARG 50 12.261 3.536 -11.783 336 1HG ARG 50 HG2 ARG 50 12.340 4.562 -9.827 337 2HG ARG 50 HG1 ARG 50 11.612 3.174 -9.016 338 1HD ARG 50 HD2 ARG 50 13.891 3.873 -8.185 339 2HD ARG 50 HD1 ARG 50 13.718 2.177 -8.625 340 HE ARG 50 HE ARG 50 15.088 4.223 -10.246 341 1HH1 ARG 50 1HH1 ARG 50 14.584 0.873 -9.362 342 2HH1 ARG 50 2HH1 ARG 50 15.890 0.298 -10.340 343 1HH2 ARG 50 1HH2 ARG 50 16.802 3.452 -11.522 344 2HH2 ARG 50 2HH2 ARG 50 17.146 1.756 -11.564 345 H MET 51 HN MET 51 9.303 0.086 -10.809 346 HA MET 51 HA MET 51 9.439 -0.598 -8.176 347 1HB MET 51 HB2 MET 51 7.966 -1.553 -10.082 348 2HB MET 51 HB1 MET 51 9.237 -2.753 -10.261 349 1HG MET 51 HG2 MET 51 8.060 -3.919 -8.768 350 2HG MET 51 HG1 MET 51 8.796 -2.842 -7.583 351 1HE MET 51 HE1 MET 51 5.904 -0.033 -7.613 352 2HE MET 51 HE2 MET 51 7.444 -0.176 -8.461 353 3HE MET 51 HE3 MET 51 7.363 -0.466 -6.722 354 H ILE 52 HN ILE 52 11.113 -1.046 -6.934 355 HA ILE 52 HA ILE 52 13.617 -1.942 -7.925 356 HB ILE 52 HB ILE 52 13.985 -2.428 -5.355 357 1HG1 ILE 52 2HG1 ILE 52 11.714 -0.438 -5.225 358 2HG1 ILE 52 1HG1 ILE 52 11.498 -2.157 -4.904 359 1HG2 ILE 52 1HG2 ILE 52 13.763 0.253 -6.691 360 2HG2 ILE 52 2HG2 ILE 52 15.204 -0.727 -6.424 361 3HG2 ILE 52 3HG2 ILE 52 14.408 0.059 -5.061 362 1HD1 ILE 52 1HD1 ILE 52 11.731 -0.966 -2.834 363 2HD1 ILE 52 2HD1 ILE 52 13.245 -0.242 -3.376 364 3HD1 ILE 52 3HD1 ILE 52 13.153 -1.979 -3.083 365 HA PRO 53 HA PRO 53 13.430 -6.326 -8.051 366 1HB PRO 53 HB2 PRO 53 15.621 -6.976 -6.453 367 2HB PRO 53 HB1 PRO 53 15.674 -6.628 -8.181 368 1HG PRO 53 HG2 PRO 53 16.265 -4.838 -5.867 369 2HG PRO 53 HG1 PRO 53 17.069 -4.940 -7.444 370 1HD PRO 53 HD2 PRO 53 15.365 -2.959 -6.889 371 2HD PRO 53 HD1 PRO 53 15.415 -3.697 -8.503 372 H GLY 54 HN GLY 54 13.471 -4.677 -5.004 373 1HA GLY 54 HA2 GLY 54 12.979 -6.952 -3.354 374 2HA GLY 54 HA1 GLY 54 12.774 -5.269 -2.904 375 H PHE 55 HN PHE 55 10.818 -4.272 -4.309 376 HA PHE 55 HA PHE 55 8.525 -5.559 -3.289 377 1HB PHE 55 HB2 PHE 55 8.963 -3.185 -5.078 378 2HB PHE 55 HB1 PHE 55 7.350 -3.787 -4.755 379 HD1 PHE 55 HD1 PHE 55 6.721 -4.017 -2.190 380 HD2 PHE 55 HD2 PHE 55 9.876 -1.594 -3.719 381 HE1 PHE 55 HE1 PHE 55 6.655 -2.657 -0.158 382 HE2 PHE 55 HE2 PHE 55 9.810 -0.227 -1.677 383 HZ PHE 55 HZ PHE 55 8.198 -0.755 0.105 384 H GLU 56 HN GLU 56 9.754 -5.060 -6.590 385 HA GLU 56 HA GLU 56 7.703 -6.283 -7.986 386 1HB GLU 56 HB2 GLU 56 9.240 -6.573 -9.808 387 2HB GLU 56 HB1 GLU 56 9.604 -5.048 -9.015 388 1HG GLU 56 HG2 GLU 56 11.674 -5.672 -8.554 389 2HG GLU 56 HG1 GLU 56 11.151 -7.224 -7.906 390 H ASP 57 HN ASP 57 9.969 -7.725 -5.851 391 HA ASP 57 HA ASP 57 9.811 -10.358 -7.000 392 1HB ASP 57 HB2 ASP 57 11.483 -9.093 -5.133 393 2HB ASP 57 HB1 ASP 57 10.648 -10.353 -4.233 394 H GLY 58 HN GLY 58 9.018 -9.405 -3.652 395 1HA GLY 58 HA2 GLY 58 7.181 -11.519 -3.313 396 2HA GLY 58 HA1 GLY 58 7.354 -10.130 -2.253 397 H ILE 59 HN ILE 59 6.584 -8.041 -3.603 398 HA ILE 59 HA ILE 59 3.765 -8.378 -3.894 399 HB ILE 59 HB ILE 59 5.426 -5.895 -4.415 400 1HG1 ILE 59 2HG1 ILE 59 4.730 -5.521 -1.902 401 2HG1 ILE 59 1HG1 ILE 59 4.714 -7.269 -1.859 402 1HG2 ILE 59 1HG2 ILE 59 3.214 -5.477 -5.047 403 2HG2 ILE 59 2HG2 ILE 59 3.291 -4.870 -3.391 404 3HG2 ILE 59 3HG2 ILE 59 2.551 -6.437 -3.723 405 1HD1 ILE 59 1HD1 ILE 59 6.890 -5.612 -1.486 406 2HD1 ILE 59 2HD1 ILE 59 7.091 -6.246 -3.114 407 3HD1 ILE 59 3HD1 ILE 59 6.925 -7.353 -1.756 408 H LYS 60 HN LYS 60 5.139 -9.787 -5.670 409 HA LYS 60 HA LYS 60 5.433 -8.755 -8.282 410 1HB LYS 60 HB2 LYS 60 4.907 -11.427 -7.125 411 2HB LYS 60 HB1 LYS 60 4.319 -11.214 -8.768 412 1HG LYS 60 HG2 LYS 60 6.960 -10.172 -8.592 413 2HG LYS 60 HG1 LYS 60 6.938 -11.794 -7.907 414 1HD LYS 60 HD2 LYS 60 5.521 -11.340 -10.478 415 2HD LYS 60 HD1 LYS 60 7.284 -11.365 -10.499 416 1HE LYS 60 HE2 LYS 60 7.361 -13.578 -10.197 417 2HE LYS 60 HE1 LYS 60 6.134 -13.533 -8.932 418 1HZ LYS 60 HZ1 LYS 60 4.496 -13.984 -10.383 419 2HZ LYS 60 HZ2 LYS 60 5.746 -14.645 -11.308 420 3HZ LYS 60 HZ3 LYS 60 5.185 -13.085 -11.639 421 H GLY 61 HN GLY 61 2.717 -10.256 -6.684 422 1HA GLY 61 HA2 GLY 61 0.514 -9.199 -6.608 423 2HA GLY 61 HA1 GLY 61 0.817 -8.639 -8.252 424 H HIS 62 HN HIS 62 1.487 -11.725 -6.775 425 HA HIS 62 HA HIS 62 -0.415 -13.000 -8.643 426 1HB HIS 62 HB2 HIS 62 1.169 -14.868 -8.923 427 2HB HIS 62 HB1 HIS 62 1.817 -13.346 -9.513 428 HD2 HIS 62 HD2 HIS 62 2.954 -12.411 -6.429 429 HE1 HIS 62 HE1 HIS 62 5.402 -15.825 -7.003 430 HE2 HIS 62 HE2 HIS 62 5.134 -13.637 -5.786 431 H LYS 63 HN LYS 63 -0.202 -12.362 -5.591 432 HA LYS 63 HA LYS 63 -1.457 -14.865 -4.795 433 1HB LYS 63 HB2 LYS 63 0.906 -13.635 -3.374 434 2HB LYS 63 HB1 LYS 63 -0.157 -14.823 -2.631 435 1HG LYS 63 HG2 LYS 63 0.741 -16.537 -3.767 436 2HG LYS 63 HG1 LYS 63 0.957 -15.592 -5.240 437 1HD LYS 63 HD2 LYS 63 3.066 -15.019 -4.707 438 2HD LYS 63 HD1 LYS 63 2.666 -14.752 -3.011 439 1HE LYS 63 HE2 LYS 63 2.441 -17.500 -3.349 440 2HE LYS 63 HE1 LYS 63 3.861 -17.059 -4.298 441 1HZ LYS 63 HZ1 LYS 63 4.408 -17.599 -1.989 442 2HZ LYS 63 HZ2 LYS 63 3.427 -16.331 -1.449 443 3HZ LYS 63 HZ3 LYS 63 4.808 -15.998 -2.366 444 H ALA 64 HN ALA 64 -3.339 -13.510 -4.918 445 HA ALA 64 HA ALA 64 -3.715 -11.147 -3.465 446 1HB ALA 64 HB1 ALA 64 -5.317 -11.515 -5.093 447 2HB ALA 64 HB2 ALA 64 -6.197 -11.890 -3.610 448 3HB ALA 64 HB3 ALA 64 -5.563 -13.195 -4.615 449 H GLY 65 HN GLY 65 -3.085 -11.188 -1.328 450 1HA GLY 65 HA2 GLY 65 -3.904 -11.375 0.908 451 2HA GLY 65 HA1 GLY 65 -4.762 -12.833 0.436 452 H GLU 66 HN GLU 66 -1.386 -12.101 -0.247 453 HA GLU 66 HA GLU 66 -0.621 -14.537 1.187 454 1HB GLU 66 HB2 GLU 66 0.036 -13.689 -1.284 455 2HB GLU 66 HB1 GLU 66 1.389 -13.041 -0.376 456 1HG GLU 66 HG2 GLU 66 1.843 -15.256 -1.328 457 2HG GLU 66 HG1 GLU 66 1.970 -15.227 0.429 458 H GLU 67 HN GLU 67 1.580 -14.488 2.205 459 HA GLU 67 HA GLU 67 2.198 -11.945 3.523 460 1HB GLU 67 HB2 GLU 67 1.953 -14.591 4.973 461 2HB GLU 67 HB1 GLU 67 2.446 -13.064 5.691 462 1HG GLU 67 HG2 GLU 67 0.321 -12.200 5.652 463 2HG GLU 67 HG1 GLU 67 -0.198 -13.249 4.335 464 H PHE 68 HN PHE 68 4.150 -11.573 2.633 465 HA PHE 68 HA PHE 68 6.223 -13.631 2.996 466 1HB PHE 68 HB2 PHE 68 7.140 -12.933 0.746 467 2HB PHE 68 HB1 PHE 68 5.620 -13.828 0.692 468 HD1 PHE 68 HD1 PHE 68 3.653 -12.859 -0.152 469 HD2 PHE 68 HD2 PHE 68 7.127 -10.484 0.453 470 HE1 PHE 68 HE1 PHE 68 2.590 -11.013 -1.369 471 HE2 PHE 68 HE2 PHE 68 6.076 -8.623 -0.780 472 HZ PHE 68 HZ PHE 68 3.799 -8.894 -1.697 473 H THR 69 HN THR 69 8.453 -12.683 2.671 474 HA THR 69 HA THR 69 8.531 -9.880 3.539 475 HB THR 69 HB THR 69 10.291 -12.110 4.574 476 HG1 THR 69 HG1 THR 69 9.162 -11.800 6.501 477 1HG2 THR 69 1HG2 THR 69 11.470 -9.987 4.565 478 2HG2 THR 69 2HG2 THR 69 11.078 -10.491 6.209 479 3HG2 THR 69 3HG2 THR 69 10.128 -9.230 5.424 480 H ILE 70 HN ILE 70 9.840 -8.591 2.373 481 HA ILE 70 HA ILE 70 11.988 -9.891 0.835 482 HB ILE 70 HB ILE 70 11.514 -8.615 -1.145 483 1HG1 ILE 70 2HG1 ILE 70 10.595 -6.603 0.005 484 2HG1 ILE 70 1HG1 ILE 70 9.626 -7.122 -1.370 485 1HG2 ILE 70 1HG2 ILE 70 10.391 -10.586 -1.372 486 2HG2 ILE 70 2HG2 ILE 70 9.048 -9.452 -1.519 487 3HG2 ILE 70 3HG2 ILE 70 9.341 -10.280 0.010 488 1HD1 ILE 70 1HD1 ILE 70 8.917 -6.874 1.423 489 2HD1 ILE 70 2HD1 ILE 70 8.477 -8.445 0.749 490 3HD1 ILE 70 3HD1 ILE 70 7.886 -6.963 -0.009 491 H ASP 71 HN ASP 71 13.520 -8.255 -0.076 492 HA ASP 71 HA ASP 71 14.112 -6.290 2.001 493 1HB ASP 71 HB2 ASP 71 15.799 -7.093 -0.385 494 2HB ASP 71 HB1 ASP 71 16.326 -6.174 1.020 495 H VAL 72 HN VAL 72 14.436 -4.055 1.448 496 HA VAL 72 HA VAL 72 13.721 -3.287 -1.271 497 HB VAL 72 HB VAL 72 12.164 -1.492 -0.291 498 1HG1 VAL 72 1HG1 VAL 72 11.433 -3.326 -1.735 499 2HG1 VAL 72 2HG1 VAL 72 10.228 -2.953 -0.499 500 3HG1 VAL 72 3HG1 VAL 72 11.263 -4.371 -0.323 501 1HG2 VAL 72 1HG2 VAL 72 11.092 -1.931 1.764 502 2HG2 VAL 72 2HG2 VAL 72 12.821 -2.066 2.074 503 3HG2 VAL 72 3HG2 VAL 72 11.840 -3.522 1.902 504 H THR 73 HN THR 73 14.845 -1.572 -1.970 505 HA THR 73 HA THR 73 15.829 0.397 -0.104 506 HB THR 73 HB THR 73 17.634 -1.344 -1.796 507 HG1 THR 73 HG1 THR 73 17.104 -1.130 0.864 508 1HG2 THR 73 1HG2 THR 73 18.683 0.621 -2.250 509 2HG2 THR 73 2HG2 THR 73 19.420 0.242 -0.693 510 3HG2 THR 73 3HG2 THR 73 18.095 1.405 -0.783 511 H PHE 74 HN PHE 74 15.421 2.323 -1.034 512 HA PHE 74 HA PHE 74 14.727 2.369 -3.824 513 1HB PHE 74 HB2 PHE 74 14.554 4.388 -1.611 514 2HB PHE 74 HB1 PHE 74 14.139 4.776 -3.278 515 HD1 PHE 74 HD1 PHE 74 13.440 2.011 -0.849 516 HD2 PHE 74 HD2 PHE 74 11.923 4.695 -3.772 517 HE1 PHE 74 HE1 PHE 74 11.185 1.065 -0.543 518 HE2 PHE 74 HE2 PHE 74 9.665 3.768 -3.472 519 HZ PHE 74 HZ PHE 74 9.293 1.953 -1.854 520 HA PRO 75 HA PRO 75 18.771 3.675 -5.136 521 1HB PRO 75 HB2 PRO 75 18.109 4.358 -7.677 522 2HB PRO 75 HB1 PRO 75 18.287 2.682 -7.145 523 1HG PRO 75 HG2 PRO 75 15.791 4.308 -7.482 524 2HG PRO 75 HG1 PRO 75 16.105 2.631 -7.967 525 1HD PRO 75 HD2 PRO 75 14.736 3.243 -5.732 526 2HD PRO 75 HD1 PRO 75 15.796 1.821 -5.832 527 H GLU 76 HN GLU 76 19.625 5.587 -6.549 528 HA GLU 76 HA GLU 76 18.866 7.999 -5.197 529 1HB GLU 76 HB2 GLU 76 21.088 7.079 -6.839 530 2HB GLU 76 HB1 GLU 76 20.609 8.722 -7.238 531 1HG GLU 76 HG2 GLU 76 21.858 9.393 -5.538 532 2HG GLU 76 HG1 GLU 76 20.647 8.686 -4.470 533 H GLU 77 HN GLU 77 17.670 6.431 -7.890 534 HA GLU 77 HA GLU 77 16.991 8.819 -9.394 535 1HB GLU 77 HB2 GLU 77 15.899 6.082 -9.965 536 2HB GLU 77 HB1 GLU 77 16.247 7.390 -11.087 537 1HG GLU 77 HG2 GLU 77 18.703 7.020 -10.447 538 2HG GLU 77 HG1 GLU 77 18.149 5.488 -9.773 539 H TYR 78 HN TYR 78 15.453 6.445 -7.306 540 HA TYR 78 HA TYR 78 12.779 7.301 -7.704 541 1HB TYR 78 HB2 TYR 78 13.786 5.138 -6.567 542 2HB TYR 78 HB1 TYR 78 13.669 6.109 -5.106 543 HD1 TYR 78 HD1 TYR 78 11.962 3.921 -7.279 544 HD2 TYR 78 HD2 TYR 78 11.336 7.189 -4.628 545 HE1 TYR 78 HE1 TYR 78 9.599 3.296 -7.082 546 HE2 TYR 78 HE2 TYR 78 8.965 6.575 -4.427 547 HH TYR 78 HH TYR 78 7.723 3.823 -5.008 548 H HIS 79 HN HIS 79 14.722 7.644 -4.756 549 HA HIS 79 HA HIS 79 14.482 9.119 -3.020 550 1HB HIS 79 HB2 HIS 79 15.271 10.644 -5.460 551 2HB HIS 79 HB1 HIS 79 15.060 11.496 -3.932 552 HD2 HIS 79 HD2 HIS 79 16.543 8.033 -3.377 553 HE1 HIS 79 HE1 HIS 79 19.798 10.757 -3.456 554 HE2 HIS 79 HE2 HIS 79 19.078 8.385 -3.004 555 H ALA 80 HN ALA 80 12.047 8.589 -3.005 556 HA ALA 80 HA ALA 80 10.277 10.639 -3.953 557 1HB ALA 80 HB1 ALA 80 9.203 8.933 -1.854 558 2HB ALA 80 HB2 ALA 80 9.949 8.021 -3.168 559 3HB ALA 80 HB3 ALA 80 8.655 9.168 -3.514 560 H GLU 81 HN GLU 81 9.350 12.288 -2.831 561 HA GLU 81 HA GLU 81 10.719 13.601 -0.868 562 1HB GLU 81 HB2 GLU 81 8.804 14.448 -2.299 563 2HB GLU 81 HB1 GLU 81 7.721 13.735 -1.111 564 1HG GLU 81 HG2 GLU 81 8.110 15.341 0.408 565 2HG GLU 81 HG1 GLU 81 9.811 15.497 -0.029 566 H ASN 82 HN ASN 82 8.546 10.910 -0.400 567 HA ASN 82 HA ASN 82 8.370 11.466 2.456 568 1HB ASN 82 HB2 ASN 82 6.822 9.501 2.490 569 2HB ASN 82 HB1 ASN 82 6.303 10.829 1.455 570 1HD2 ASN 82 1HD2 ASN 82 7.977 7.733 1.416 571 2HD2 ASN 82 2HD2 ASN 82 7.460 7.268 -0.165 572 H LEU 83 HN LEU 83 9.769 8.960 0.337 573 HA LEU 83 HA LEU 83 11.252 8.021 2.701 574 1HB LEU 83 HB2 LEU 83 10.828 5.781 2.313 575 2HB LEU 83 HB1 LEU 83 9.282 6.545 2.034 576 HG LEU 83 HG LEU 83 9.303 5.115 0.267 577 1HD1 LEU 83 1HD1 LEU 83 9.600 6.224 -1.719 578 2HD1 LEU 83 2HD1 LEU 83 11.059 7.048 -1.172 579 3HD1 LEU 83 3HD1 LEU 83 9.483 7.561 -0.579 580 1HD2 LEU 83 1HD2 LEU 83 12.189 5.384 -0.377 581 2HD2 LEU 83 2HD2 LEU 83 11.097 4.030 -0.595 582 3HD2 LEU 83 3HD2 LEU 83 11.695 4.413 1.011 583 H LYS 84 HN LYS 84 11.833 9.637 0.178 584 HA LYS 84 HA LYS 84 13.357 8.611 -1.715 585 1HB LYS 84 HB2 LYS 84 14.911 10.562 -1.501 586 2HB LYS 84 HB1 LYS 84 13.204 10.974 -1.514 587 1HG LYS 84 HG2 LYS 84 13.209 11.297 0.868 588 2HG LYS 84 HG1 LYS 84 14.875 10.724 0.974 589 1HD LYS 84 HD2 LYS 84 14.250 13.028 -0.812 590 2HD LYS 84 HD1 LYS 84 14.335 13.297 0.929 591 1HE LYS 84 HE2 LYS 84 16.568 11.719 0.207 592 2HE LYS 84 HE1 LYS 84 16.461 13.040 -0.956 593 1HZ LYS 84 HZ1 LYS 84 17.347 14.361 0.560 594 2HZ LYS 84 HZ2 LYS 84 17.362 13.117 1.707 595 3HZ LYS 84 HZ3 LYS 84 16.008 14.121 1.567 596 H GLY 85 HN GLY 85 15.030 7.336 -2.015 597 1HA GLY 85 HA2 GLY 85 16.779 5.918 -1.574 598 2HA GLY 85 HA1 GLY 85 17.464 7.320 -0.775 599 H LYS 86 HN LYS 86 14.804 5.075 0.042 600 HA LYS 86 HA LYS 86 15.960 4.867 2.724 601 1HB LYS 86 HB2 LYS 86 13.353 5.208 1.877 602 2HB LYS 86 HB1 LYS 86 13.412 3.519 2.349 603 1HG LYS 86 HG2 LYS 86 13.120 4.184 4.440 604 2HG LYS 86 HG1 LYS 86 14.743 4.872 4.383 605 1HD LYS 86 HD2 LYS 86 12.293 6.365 3.465 606 2HD LYS 86 HD1 LYS 86 12.903 6.440 5.118 607 1HE LYS 86 HE2 LYS 86 15.135 7.115 4.084 608 2HE LYS 86 HE1 LYS 86 14.234 7.369 2.588 609 1HZ LYS 86 HZ1 LYS 86 13.568 8.686 5.165 610 2HZ LYS 86 HZ2 LYS 86 12.903 9.021 3.647 611 3HZ LYS 86 HZ3 LYS 86 14.522 9.397 3.961 612 H ALA 87 HN ALA 87 17.603 3.358 2.437 613 HA ALA 87 HA ALA 87 17.094 0.799 1.203 614 1HB ALA 87 HB1 ALA 87 19.417 2.116 2.520 615 2HB ALA 87 HB2 ALA 87 19.313 1.327 0.948 616 3HB ALA 87 HB3 ALA 87 19.407 0.356 2.417 617 H ALA 88 HN ALA 88 15.492 -0.302 2.332 618 HA ALA 88 HA ALA 88 16.136 -0.959 5.127 619 1HB ALA 88 HB1 ALA 88 14.193 0.797 4.466 620 2HB ALA 88 HB2 ALA 88 14.194 -0.170 5.940 621 3HB ALA 88 HB3 ALA 88 13.281 -0.709 4.532 622 H LYS 89 HN LYS 89 14.154 -2.471 5.845 623 HA LYS 89 HA LYS 89 13.980 -4.746 3.978 624 1HB LYS 89 HB2 LYS 89 14.745 -4.727 6.892 625 2HB LYS 89 HB1 LYS 89 13.961 -6.137 6.193 626 1HG LYS 89 HG2 LYS 89 15.776 -6.701 4.939 627 2HG LYS 89 HG1 LYS 89 16.340 -5.034 4.804 628 1HD LYS 89 HD2 LYS 89 16.407 -6.616 7.368 629 2HD LYS 89 HD1 LYS 89 17.760 -6.533 6.237 630 1HE LYS 89 HE2 LYS 89 16.583 -3.954 7.062 631 2HE LYS 89 HE1 LYS 89 17.446 -4.851 8.312 632 1HZ LYS 89 HZ1 LYS 89 19.214 -3.802 7.441 633 2HZ LYS 89 HZ2 LYS 89 18.471 -3.522 5.948 634 3HZ LYS 89 HZ3 LYS 89 19.162 -5.030 6.277 635 H PHE 90 HN PHE 90 11.927 -5.727 3.934 636 HA PHE 90 HA PHE 90 9.934 -4.719 5.848 637 1HB PHE 90 HB2 PHE 90 9.530 -4.816 2.856 638 2HB PHE 90 HB1 PHE 90 8.249 -4.556 4.028 639 HD1 PHE 90 HD1 PHE 90 8.276 -2.759 2.013 640 HD2 PHE 90 HD2 PHE 90 10.798 -2.771 5.413 641 HE1 PHE 90 HE1 PHE 90 8.556 -0.310 1.813 642 HE2 PHE 90 HE2 PHE 90 11.101 -0.341 5.229 643 HZ PHE 90 HZ PHE 90 9.974 0.897 3.422 644 H ALA 91 HN ALA 91 8.091 -6.091 6.140 645 HA ALA 91 HA ALA 91 8.278 -8.729 4.875 646 1HB ALA 91 HB1 ALA 91 8.776 -9.352 7.043 647 2HB ALA 91 HB2 ALA 91 7.015 -9.346 7.142 648 3HB ALA 91 HB3 ALA 91 7.939 -7.966 7.741 649 H ILE 92 HN ILE 92 6.762 -8.493 3.390 650 HA ILE 92 HA ILE 92 4.370 -6.940 3.957 651 HB ILE 92 HB ILE 92 5.334 -8.044 1.329 652 1HG1 ILE 92 2HG1 ILE 92 6.071 -5.547 2.817 653 2HG1 ILE 92 1HG1 ILE 92 7.104 -6.688 2.001 654 1HG2 ILE 92 1HG2 ILE 92 3.343 -5.904 2.021 655 2HG2 ILE 92 2HG2 ILE 92 3.046 -7.443 1.207 656 3HG2 ILE 92 3HG2 ILE 92 3.976 -6.187 0.400 657 1HD1 ILE 92 1HD1 ILE 92 7.205 -5.181 0.378 658 2HD1 ILE 92 2HD1 ILE 92 5.824 -4.289 1.013 659 3HD1 ILE 92 3HD1 ILE 92 5.566 -5.684 -0.034 660 H ASN 93 HN ASN 93 2.346 -7.503 3.029 661 HA ASN 93 HA ASN 93 1.794 -10.347 2.678 662 1HB ASN 93 HB2 ASN 93 -0.021 -8.584 4.326 663 2HB ASN 93 HB1 ASN 93 -0.088 -10.334 4.144 664 1HD2 ASN 93 1HD2 ASN 93 0.338 -8.297 6.418 665 2HD2 ASN 93 2HD2 ASN 93 1.650 -8.982 7.309 666 H LEU 94 HN LEU 94 1.213 -10.334 0.563 667 HA LEU 94 HA LEU 94 0.017 -8.148 -0.747 668 1HB LEU 94 HB2 LEU 94 1.356 -10.023 -1.785 669 2HB LEU 94 HB1 LEU 94 -0.104 -10.989 -1.702 670 HG LEU 94 HG LEU 94 -1.224 -9.174 -3.084 671 1HD1 LEU 94 1HD1 LEU 94 0.874 -8.132 -4.495 672 2HD1 LEU 94 2HD1 LEU 94 1.469 -8.073 -2.836 673 3HD1 LEU 94 3HD1 LEU 94 -0.049 -7.280 -3.257 674 1HD2 LEU 94 1HD2 LEU 94 0.176 -11.416 -3.800 675 2HD2 LEU 94 2HD2 LEU 94 0.889 -10.173 -4.829 676 3HD2 LEU 94 3HD2 LEU 94 -0.851 -10.461 -4.869 677 H LYS 95 HN LYS 95 -2.072 -7.944 -1.709 678 HA LYS 95 HA LYS 95 -4.163 -9.692 -0.702 679 1HB LYS 95 HB2 LYS 95 -3.994 -6.753 -0.059 680 2HB LYS 95 HB1 LYS 95 -5.516 -7.629 -0.028 681 1HG LYS 95 HG2 LYS 95 -3.559 -9.078 1.468 682 2HG LYS 95 HG1 LYS 95 -3.604 -7.404 2.017 683 1HD LYS 95 HD2 LYS 95 -6.275 -8.397 1.609 684 2HD LYS 95 HD1 LYS 95 -5.377 -9.476 2.678 685 1HE LYS 95 HE2 LYS 95 -4.928 -6.680 3.313 686 2HE LYS 95 HE1 LYS 95 -6.635 -7.111 3.388 687 1HZ LYS 95 HZ1 LYS 95 -6.262 -8.651 5.046 688 2HZ LYS 95 HZ2 LYS 95 -5.176 -7.425 5.464 689 3HZ LYS 95 HZ3 LYS 95 -4.617 -8.819 4.687 690 H LYS 96 HN LYS 96 -5.274 -6.645 -1.716 691 HA LYS 96 HA LYS 96 -6.483 -7.785 -4.017 692 1HB LYS 96 HB2 LYS 96 -6.344 -4.897 -3.159 693 2HB LYS 96 HB1 LYS 96 -7.405 -5.541 -4.405 694 1HG LYS 96 HG2 LYS 96 -8.378 -7.044 -2.633 695 2HG LYS 96 HG1 LYS 96 -7.476 -6.089 -1.454 696 1HD LYS 96 HD2 LYS 96 -8.884 -4.343 -1.610 697 2HD LYS 96 HD1 LYS 96 -9.043 -4.502 -3.360 698 1HE LYS 96 HE2 LYS 96 -11.174 -5.017 -2.633 699 2HE LYS 96 HE1 LYS 96 -10.438 -6.613 -2.781 700 1HZ LYS 96 HZ1 LYS 96 -11.744 -5.966 -0.648 701 2HZ LYS 96 HZ2 LYS 96 -10.301 -5.203 -0.208 702 3HZ LYS 96 HZ3 LYS 96 -10.315 -6.864 -0.521 703 H VAL 97 HN VAL 97 -5.211 -8.348 -5.681 704 HA VAL 97 HA VAL 97 -3.367 -6.342 -6.779 705 HB VAL 97 HB VAL 97 -2.140 -8.315 -6.304 706 1HG1 VAL 97 1HG1 VAL 97 -3.306 -10.172 -5.891 707 2HG1 VAL 97 2HG1 VAL 97 -3.214 -10.474 -7.626 708 3HG1 VAL 97 3HG1 VAL 97 -4.630 -9.674 -6.946 709 1HG2 VAL 97 1HG2 VAL 97 -1.124 -8.367 -8.282 710 2HG2 VAL 97 2HG2 VAL 97 -2.483 -7.465 -8.945 711 3HG2 VAL 97 3HG2 VAL 97 -2.474 -9.227 -9.018 712 H GLU 98 HN GLU 98 -4.397 -5.206 -8.340 713 HA GLU 98 HA GLU 98 -5.925 -6.727 -10.345 714 1HB GLU 98 HB2 GLU 98 -6.709 -4.013 -9.283 715 2HB GLU 98 HB1 GLU 98 -7.592 -4.976 -10.458 716 1HG GLU 98 HG2 GLU 98 -8.380 -6.440 -8.876 717 2HG GLU 98 HG1 GLU 98 -7.039 -6.137 -7.773 718 H GLU 99 HN GLU 99 -6.363 -5.270 -12.359 719 HA GLU 99 HA GLU 99 -3.772 -4.212 -13.166 720 1HB GLU 99 HB2 GLU 99 -4.963 -5.912 -14.565 721 2HB GLU 99 HB1 GLU 99 -6.183 -4.691 -14.898 722 1HG GLU 99 HG2 GLU 99 -3.596 -3.611 -15.447 723 2HG GLU 99 HG1 GLU 99 -3.780 -5.158 -16.273 724 H ARG 100 HN ARG 100 -3.798 -2.216 -12.134 725 HA ARG 100 HA ARG 100 -5.821 -0.272 -12.451 726 1HB ARG 100 HB2 ARG 100 -4.213 1.271 -11.538 727 2HB ARG 100 HB1 ARG 100 -4.064 -0.267 -10.696 728 1HG ARG 100 HG2 ARG 100 -1.907 -0.305 -11.176 729 2HG ARG 100 HG1 ARG 100 -2.306 -0.371 -12.889 730 1HD ARG 100 HD2 ARG 100 -2.654 2.251 -12.433 731 2HD ARG 100 HD1 ARG 100 -1.411 1.899 -11.233 732 HE ARG 100 HE ARG 100 -0.379 0.752 -13.409 733 1HH1 ARG 100 1HH1 ARG 100 -1.789 3.911 -12.954 734 2HH1 ARG 100 2HH1 ARG 100 -0.834 4.651 -14.193 735 1HH2 ARG 100 1HH2 ARG 100 0.868 1.721 -15.043 736 2HH2 ARG 100 2HH2 ARG 100 0.673 3.408 -15.380 737 H GLU 101 HN GLU 101 -5.693 1.714 -13.654 738 HA GLU 101 HA GLU 101 -3.838 2.073 -15.781 739 1HB GLU 101 HB2 GLU 101 -5.182 0.236 -16.741 740 2HB GLU 101 HB1 GLU 101 -6.635 1.203 -16.538 741 1HG GLU 101 HG2 GLU 101 -6.004 2.711 -18.208 742 2HG GLU 101 HG1 GLU 101 -4.327 2.166 -18.187 743 H LEU 102 HN LEU 102 -3.974 3.999 -14.297 744 HA LEU 102 HA LEU 102 -6.311 5.646 -14.486 745 1HB LEU 102 HB2 LEU 102 -3.599 5.949 -13.261 746 2HB LEU 102 HB1 LEU 102 -4.631 7.352 -13.441 747 HG LEU 102 HG LEU 102 -6.272 6.447 -11.967 748 1HD1 LEU 102 1HD1 LEU 102 -5.951 4.063 -12.874 749 2HD1 LEU 102 2HD1 LEU 102 -6.366 4.254 -11.173 750 3HD1 LEU 102 3HD1 LEU 102 -4.699 3.914 -11.640 751 1HD2 LEU 102 1HD2 LEU 102 -4.414 7.456 -10.837 752 2HD2 LEU 102 2HD2 LEU 102 -3.488 5.957 -10.937 753 3HD2 LEU 102 3HD2 LEU 102 -4.927 6.038 -9.921 754 HA PRO 103 HA PRO 103 -3.365 8.340 -17.286 755 1HB PRO 103 HB2 PRO 103 -1.454 6.319 -18.275 756 2HB PRO 103 HB1 PRO 103 -1.155 7.961 -17.699 757 1HG PRO 103 HG2 PRO 103 -0.453 5.828 -16.244 758 2HG PRO 103 HG1 PRO 103 -1.060 7.311 -15.484 759 1HD PRO 103 HD2 PRO 103 -2.492 4.732 -16.017 760 2HD PRO 103 HD1 PRO 103 -2.548 5.779 -14.586 761 H GLU 104 HN GLU 104 -4.768 8.582 -18.912 762 HA GLU 104 HA GLU 104 -5.610 6.324 -20.515 763 1HB GLU 104 HB2 GLU 104 -6.426 9.199 -20.304 764 2HB GLU 104 HB1 GLU 104 -6.901 8.260 -21.714 765 1HG GLU 104 HG2 GLU 104 -7.424 7.172 -18.992 766 2HG GLU 104 HG1 GLU 104 -8.470 8.434 -19.640 767 H LEU 105 HN LEU 105 -4.667 5.709 -22.338 768 HA LEU 105 HA LEU 105 -2.858 7.592 -23.691 769 1HB LEU 105 HB2 LEU 105 -2.747 4.741 -23.100 770 2HB LEU 105 HB1 LEU 105 -2.411 5.086 -24.785 771 HG LEU 105 HG LEU 105 -0.349 4.988 -23.509 772 1HD1 LEU 105 1HD1 LEU 105 -0.629 7.901 -24.005 773 2HD1 LEU 105 2HD1 LEU 105 -0.911 6.800 -25.353 774 3HD1 LEU 105 3HD1 LEU 105 0.637 6.781 -24.508 775 1HD2 LEU 105 1HD2 LEU 105 -1.846 6.239 -21.509 776 2HD2 LEU 105 2HD2 LEU 105 -0.630 7.421 -21.991 777 3HD2 LEU 105 3HD2 LEU 105 -0.135 5.815 -21.457 778 H THR 106 HN THR 106 -4.129 8.660 -25.125 779 HA THR 106 HA THR 106 -5.700 7.031 -27.011 780 HB THR 106 HB THR 106 -7.057 9.033 -27.418 781 HG1 THR 106 HG1 THR 106 -5.682 10.695 -27.025 782 1HG2 THR 106 1HG2 THR 106 -6.781 8.077 -24.611 783 2HG2 THR 106 2HG2 THR 106 -8.102 7.845 -25.758 784 3HG2 THR 106 3HG2 THR 106 -7.870 9.413 -24.984 Start of MODEL 29 1 1H GLY 1 HT1 GLY 1 -10.207 23.241 -10.639 2 2H GLY 1 HT2 GLY 1 -8.765 22.717 -11.352 3 3H GLY 1 HT3 GLY 1 -8.939 24.333 -10.885 4 1HA GLY 1 HA1 GLY 1 -7.864 23.742 -9.035 5 2HA GLY 1 HA2 GLY 1 -9.425 23.086 -8.564 6 H SER 2 HN SER 2 -8.744 21.354 -7.387 7 HA SER 2 HA SER 2 -7.552 19.168 -8.915 8 1HB SER 2 HB2 SER 2 -6.511 19.453 -6.155 9 2HB SER 2 HB1 SER 2 -5.699 18.887 -7.615 10 HG SER 2 HG SER 2 -5.663 21.125 -8.285 11 H HIS 3 HN HIS 3 -8.381 17.205 -8.426 12 HA HIS 3 HA HIS 3 -10.716 17.071 -6.813 13 1HB HIS 3 HB2 HIS 3 -9.073 14.875 -8.089 14 2HB HIS 3 HB1 HIS 3 -10.648 14.638 -7.340 15 HD2 HIS 3 HD2 HIS 3 -11.063 13.796 -10.199 16 HE1 HIS 3 HE1 HIS 3 -11.895 17.811 -11.292 17 HE2 HIS 3 HE2 HIS 3 -12.125 15.387 -11.941 18 H MET 4 HN MET 4 -10.880 15.053 -5.259 19 HA MET 4 HA MET 4 -8.634 15.265 -3.360 20 1HB MET 4 HB2 MET 4 -10.887 16.256 -2.688 21 2HB MET 4 HB1 MET 4 -11.481 14.602 -2.623 22 1HG MET 4 HG2 MET 4 -9.122 14.588 -1.137 23 2HG MET 4 HG1 MET 4 -9.945 16.082 -0.691 24 1HE MET 4 HE1 MET 4 -12.581 15.861 -0.940 25 2HE MET 4 HE2 MET 4 -12.784 15.712 0.805 26 3HE MET 4 HE3 MET 4 -13.524 14.528 -0.272 27 H GLN 5 HN GLN 5 -11.307 13.088 -4.280 28 HA GLN 5 HA GLN 5 -9.925 10.791 -3.226 29 1HB GLN 5 HB2 GLN 5 -11.857 9.529 -4.191 30 2HB GLN 5 HB1 GLN 5 -12.317 10.798 -3.065 31 1HG GLN 5 HG2 GLN 5 -13.483 11.895 -4.609 32 2HG GLN 5 HG1 GLN 5 -12.216 11.718 -5.820 33 1HE2 GLN 5 1HE2 GLN 5 -14.143 9.318 -4.068 34 2HE2 GLN 5 2HE2 GLN 5 -14.802 8.564 -5.475 35 H ALA 6 HN ALA 6 -8.932 9.162 -4.350 36 HA ALA 6 HA ALA 6 -7.898 9.859 -6.947 37 1HB ALA 6 HB1 ALA 6 -6.243 8.849 -5.740 38 2HB ALA 6 HB2 ALA 6 -6.873 7.449 -6.609 39 3HB ALA 6 HB3 ALA 6 -7.353 7.737 -4.937 40 H THR 7 HN THR 7 -8.064 8.553 -8.836 41 HA THR 7 HA THR 7 -10.569 7.009 -8.950 42 HB THR 7 HB THR 7 -9.132 8.397 -11.221 43 HG1 THR 7 HG1 THR 7 -10.365 9.613 -9.395 44 1HG2 THR 7 1HG2 THR 7 -10.747 6.402 -11.647 45 2HG2 THR 7 2HG2 THR 7 -10.866 7.870 -12.616 46 3HG2 THR 7 3HG2 THR 7 -11.995 7.596 -11.289 47 H TRP 8 HN TRP 8 -10.597 4.994 -9.885 48 HA TRP 8 HA TRP 8 -8.108 3.942 -10.993 49 1HB TRP 8 HB2 TRP 8 -9.593 2.688 -8.678 50 2HB TRP 8 HB1 TRP 8 -8.318 1.888 -9.593 51 HD1 TRP 8 HD1 TRP 8 -8.758 5.074 -7.420 52 HE1 TRP 8 HE1 TRP 8 -6.531 5.513 -6.206 53 HE3 TRP 8 HE3 TRP 8 -5.960 1.333 -9.495 54 HZ2 TRP 8 HZ2 TRP 8 -3.926 4.414 -6.139 55 HZ3 TRP 8 HZ3 TRP 8 -3.619 1.103 -8.804 56 HH2 TRP 8 HH2 TRP 8 -2.617 2.600 -7.162 57 H LYS 9 HN LYS 9 -8.383 1.856 -12.051 58 HA LYS 9 HA LYS 9 -11.103 1.088 -12.746 59 1HB LYS 9 HB2 LYS 9 -10.410 1.081 -15.206 60 2HB LYS 9 HB1 LYS 9 -10.777 2.643 -14.486 61 1HG LYS 9 HG2 LYS 9 -7.988 2.039 -14.167 62 2HG LYS 9 HG1 LYS 9 -8.460 1.893 -15.862 63 1HD LYS 9 HD2 LYS 9 -9.257 4.270 -14.210 64 2HD LYS 9 HD1 LYS 9 -7.690 4.192 -15.016 65 1HE LYS 9 HE2 LYS 9 -9.542 3.424 -16.953 66 2HE LYS 9 HE1 LYS 9 -10.297 4.774 -16.110 67 1HZ LYS 9 HZ1 LYS 9 -8.603 5.093 -18.113 68 2HZ LYS 9 HZ2 LYS 9 -7.497 5.100 -16.833 69 3HZ LYS 9 HZ3 LYS 9 -8.762 6.223 -16.864 70 H GLU 10 HN GLU 10 -8.748 -0.028 -11.322 71 HA GLU 10 HA GLU 10 -7.502 -1.950 -12.923 72 1HB GLU 10 HB2 GLU 10 -7.012 -3.058 -10.668 73 2HB GLU 10 HB1 GLU 10 -6.366 -1.461 -10.966 74 1HG GLU 10 HG2 GLU 10 -7.292 -1.773 -8.693 75 2HG GLU 10 HG1 GLU 10 -8.025 -0.446 -9.591 76 H LYS 11 HN LYS 11 -7.873 -4.062 -13.359 77 HA LYS 11 HA LYS 11 -10.559 -4.936 -13.460 78 1HB LYS 11 HB2 LYS 11 -8.203 -6.785 -13.733 79 2HB LYS 11 HB1 LYS 11 -9.758 -6.871 -14.542 80 1HG LYS 11 HG2 LYS 11 -7.552 -4.909 -15.062 81 2HG LYS 11 HG1 LYS 11 -8.096 -6.204 -16.120 82 1HD LYS 11 HD2 LYS 11 -10.267 -4.451 -15.383 83 2HD LYS 11 HD1 LYS 11 -8.931 -3.551 -16.105 84 1HE LYS 11 HE2 LYS 11 -9.224 -5.846 -17.681 85 2HE LYS 11 HE1 LYS 11 -10.865 -5.287 -17.360 86 1HZ LYS 11 HZ1 LYS 11 -10.057 -3.033 -18.080 87 2HZ LYS 11 HZ2 LYS 11 -10.160 -4.197 -19.301 88 3HZ LYS 11 HZ3 LYS 11 -8.655 -3.792 -18.644 89 H ASP 12 HN ASP 12 -10.202 -7.728 -12.825 90 HA ASP 12 HA ASP 12 -9.957 -7.641 -9.901 91 1HB ASP 12 HB2 ASP 12 -11.891 -9.268 -9.834 92 2HB ASP 12 HB1 ASP 12 -12.310 -7.625 -10.310 93 H GLY 13 HN GLY 13 -8.277 -8.644 -12.240 94 1HA GLY 13 HA2 GLY 13 -8.119 -11.481 -11.462 95 2HA GLY 13 HA1 GLY 13 -7.516 -10.816 -12.973 96 H ALA 14 HN ALA 14 -5.503 -11.861 -12.524 97 HA ALA 14 HA ALA 14 -3.974 -11.290 -10.204 98 1HB ALA 14 HB1 ALA 14 -2.537 -12.048 -12.668 99 2HB ALA 14 HB2 ALA 14 -3.791 -13.159 -12.117 100 3HB ALA 14 HB3 ALA 14 -2.456 -12.733 -11.045 101 H VAL 15 HN VAL 15 -1.499 -10.613 -10.954 102 HA VAL 15 HA VAL 15 -1.631 -7.772 -11.252 103 HB VAL 15 HB VAL 15 0.126 -8.805 -9.929 104 1HG1 VAL 15 1HG1 VAL 15 1.665 -9.706 -12.280 105 2HG1 VAL 15 2HG1 VAL 15 0.295 -10.707 -11.799 106 3HG1 VAL 15 3HG1 VAL 15 1.589 -10.372 -10.649 107 1HG2 VAL 15 1HG2 VAL 15 1.866 -7.701 -11.977 108 2HG2 VAL 15 2HG2 VAL 15 1.529 -7.134 -10.344 109 3HG2 VAL 15 3HG2 VAL 15 0.450 -6.704 -11.662 110 H GLU 16 HN GLU 16 -0.712 -6.492 -13.011 111 HA GLU 16 HA GLU 16 -0.316 -7.946 -15.507 112 1HB GLU 16 HB2 GLU 16 -1.738 -6.552 -16.760 113 2HB GLU 16 HB1 GLU 16 -2.678 -6.991 -15.341 114 1HG GLU 16 HG2 GLU 16 -2.787 -4.874 -14.604 115 2HG GLU 16 HG1 GLU 16 -1.137 -4.503 -15.086 116 H ALA 17 HN ALA 17 0.789 -6.683 -17.107 117 HA ALA 17 HA ALA 17 3.189 -5.809 -16.731 118 1HB ALA 17 HB1 ALA 17 2.744 -3.806 -18.361 119 2HB ALA 17 HB2 ALA 17 1.140 -4.529 -18.469 120 3HB ALA 17 HB3 ALA 17 2.563 -5.472 -18.908 121 H GLU 18 HN GLU 18 0.832 -3.105 -16.637 122 HA GLU 18 HA GLU 18 2.453 -1.962 -14.452 123 1HB GLU 18 HB2 GLU 18 1.694 0.269 -15.286 124 2HB GLU 18 HB1 GLU 18 2.737 -0.610 -16.396 125 1HG GLU 18 HG2 GLU 18 0.688 -1.357 -17.606 126 2HG GLU 18 HG1 GLU 18 -0.246 -0.276 -16.571 127 H ASP 19 HN ASP 19 0.869 -3.379 -13.184 128 HA ASP 19 HA ASP 19 -1.718 -2.043 -12.819 129 1HB ASP 19 HB2 ASP 19 -2.595 -4.022 -12.148 130 2HB ASP 19 HB1 ASP 19 -1.290 -4.628 -13.141 131 H ARG 20 HN ARG 20 -2.360 -2.792 -10.252 132 HA ARG 20 HA ARG 20 -0.299 -1.756 -8.479 133 1HB ARG 20 HB2 ARG 20 -2.178 -0.018 -9.456 134 2HB ARG 20 HB1 ARG 20 -2.922 -0.549 -7.960 135 1HG ARG 20 HG2 ARG 20 -1.623 0.800 -6.807 136 2HG ARG 20 HG1 ARG 20 -0.183 0.056 -7.475 137 1HD ARG 20 HD2 ARG 20 -0.161 1.565 -9.310 138 2HD ARG 20 HD1 ARG 20 -1.761 2.181 -8.898 139 HE ARG 20 HE ARG 20 0.084 2.557 -6.764 140 1HH1 ARG 20 1HH1 ARG 20 -0.937 3.865 -9.826 141 2HH1 ARG 20 2HH1 ARG 20 -0.325 5.450 -9.498 142 1HH2 ARG 20 1HH2 ARG 20 0.881 4.641 -6.318 143 2HH2 ARG 20 2HH2 ARG 20 0.703 5.893 -7.501 144 H VAL 21 HN VAL 21 -0.188 -3.177 -6.869 145 HA VAL 21 HA VAL 21 -2.526 -4.782 -6.151 146 HB VAL 21 HB VAL 21 -0.951 -6.155 -4.879 147 1HG1 VAL 21 1HG1 VAL 21 0.201 -7.142 -6.709 148 2HG1 VAL 21 2HG1 VAL 21 0.214 -5.618 -7.600 149 3HG1 VAL 21 3HG1 VAL 21 -1.302 -6.476 -7.350 150 1HG2 VAL 21 1HG2 VAL 21 0.576 -4.399 -4.171 151 2HG2 VAL 21 2HG2 VAL 21 1.131 -4.197 -5.834 152 3HG2 VAL 21 3HG2 VAL 21 1.437 -5.703 -4.978 153 H THR 22 HN THR 22 -2.645 -5.328 -3.714 154 HA THR 22 HA THR 22 -2.231 -2.877 -2.123 155 HB THR 22 HB THR 22 -4.520 -4.850 -1.925 156 HG1 THR 22 HG1 THR 22 -4.863 -3.449 -3.612 157 1HG2 THR 22 1HG2 THR 22 -3.493 -3.021 0.019 158 2HG2 THR 22 2HG2 THR 22 -4.849 -4.144 0.139 159 3HG2 THR 22 3HG2 THR 22 -5.105 -2.519 -0.494 160 H ILE 23 HN ILE 23 -0.641 -3.286 -0.691 161 HA ILE 23 HA ILE 23 -0.590 -5.970 0.526 162 HB ILE 23 HB ILE 23 1.894 -5.770 0.595 163 1HG1 ILE 23 2HG1 ILE 23 1.681 -3.696 -1.548 164 2HG1 ILE 23 1HG1 ILE 23 1.675 -3.203 0.140 165 1HG2 ILE 23 1HG2 ILE 23 1.088 -5.609 -2.263 166 2HG2 ILE 23 2HG2 ILE 23 0.408 -6.880 -1.254 167 3HG2 ILE 23 3HG2 ILE 23 2.157 -6.759 -1.458 168 1HD1 ILE 23 1HD1 ILE 23 3.842 -3.873 0.484 169 2HD1 ILE 23 2HD1 ILE 23 3.902 -3.297 -1.182 170 3HD1 ILE 23 3HD1 ILE 23 3.802 -5.022 -0.848 171 H ASP 24 HN ASP 24 0.206 -6.184 2.593 172 HA ASP 24 HA ASP 24 0.369 -3.716 4.212 173 1HB ASP 24 HB2 ASP 24 -0.264 -6.217 5.640 174 2HB ASP 24 HB1 ASP 24 -0.999 -4.628 5.789 175 H PHE 25 HN PHE 25 2.377 -3.433 5.132 176 HA PHE 25 HA PHE 25 3.931 -5.833 5.758 177 1HB PHE 25 HB2 PHE 25 5.889 -5.095 4.623 178 2HB PHE 25 HB1 PHE 25 4.552 -5.030 3.479 179 HD1 PHE 25 HD1 PHE 25 4.191 -3.115 2.243 180 HD2 PHE 25 HD2 PHE 25 6.490 -2.866 5.821 181 HE1 PHE 25 HE1 PHE 25 4.723 -0.771 1.749 182 HE2 PHE 25 HE2 PHE 25 7.031 -0.513 5.309 183 HZ PHE 25 HZ PHE 25 6.126 0.530 3.266 184 H THR 26 HN THR 26 5.908 -5.386 6.971 185 HA THR 26 HA THR 26 5.989 -2.893 8.474 186 HB THR 26 HB THR 26 5.656 -5.534 9.907 187 HG1 THR 26 HG1 THR 26 3.592 -5.071 10.142 188 1HG2 THR 26 1HG2 THR 26 4.997 -3.436 11.600 189 2HG2 THR 26 2HG2 THR 26 6.484 -2.928 10.800 190 3HG2 THR 26 3HG2 THR 26 6.432 -4.459 11.675 191 H GLY 27 HN GLY 27 8.088 -2.327 8.407 192 1HA GLY 27 HA2 GLY 27 10.113 -4.187 9.297 193 2HA GLY 27 HA1 GLY 27 10.218 -3.797 7.594 194 H SER 28 HN SER 28 12.346 -3.259 9.027 195 HA SER 28 HA SER 28 12.260 -0.368 9.637 196 1HB SER 28 HB2 SER 28 14.634 -2.000 10.386 197 2HB SER 28 HB1 SER 28 13.829 -0.716 11.272 198 HG SER 28 HG SER 28 13.521 -3.373 11.496 199 H VAL 29 HN VAL 29 14.482 0.666 9.281 200 HA VAL 29 HA VAL 29 15.467 -0.074 6.624 201 HB VAL 29 HB VAL 29 14.445 2.032 6.360 202 1HG1 VAL 29 1HG1 VAL 29 15.913 3.567 8.370 203 2HG1 VAL 29 2HG1 VAL 29 14.767 2.408 9.034 204 3HG1 VAL 29 3HG1 VAL 29 14.217 3.635 7.900 205 1HG2 VAL 29 1HG2 VAL 29 17.231 1.775 6.061 206 2HG2 VAL 29 2HG2 VAL 29 16.935 3.406 6.658 207 3HG2 VAL 29 3HG2 VAL 29 16.138 2.847 5.188 208 H ASP 30 HN ASP 30 16.741 1.941 9.288 209 HA ASP 30 HA ASP 30 19.334 0.654 8.893 210 1HB ASP 30 HB2 ASP 30 18.571 3.304 9.446 211 2HB ASP 30 HB1 ASP 30 19.322 2.714 10.925 212 H GLY 31 HN GLY 31 17.191 -0.819 10.099 213 1HA GLY 31 HA2 GLY 31 17.396 -2.482 11.778 214 2HA GLY 31 HA1 GLY 31 18.463 -1.411 12.673 215 H GLU 32 HN GLU 32 16.238 0.692 11.864 216 HA GLU 32 HA GLU 32 14.300 -0.057 13.939 217 1HB GLU 32 HB2 GLU 32 15.461 2.719 13.673 218 2HB GLU 32 HB1 GLU 32 14.382 2.128 14.929 219 1HG GLU 32 HG2 GLU 32 16.049 0.917 15.978 220 2HG GLU 32 HG1 GLU 32 17.057 0.862 14.533 221 H GLU 33 HN GLU 33 12.339 -0.041 13.104 222 HA GLU 33 HA GLU 33 11.671 0.825 10.569 223 1HB GLU 33 HB2 GLU 33 9.322 0.522 11.285 224 2HB GLU 33 HB1 GLU 33 10.346 -0.836 11.716 225 1HG GLU 33 HG2 GLU 33 10.219 1.144 13.824 226 2HG GLU 33 HG1 GLU 33 8.625 0.538 13.381 227 H PHE 34 HN PHE 34 11.530 2.774 9.765 228 HA PHE 34 HA PHE 34 11.311 5.083 11.444 229 1HB PHE 34 HB2 PHE 34 11.875 6.332 9.501 230 2HB PHE 34 HB1 PHE 34 12.881 4.894 9.515 231 HD1 PHE 34 HD1 PHE 34 11.537 6.981 7.344 232 HD2 PHE 34 HD2 PHE 34 11.232 2.839 8.284 233 HE1 PHE 34 HE1 PHE 34 10.846 6.507 5.032 234 HE2 PHE 34 HE2 PHE 34 10.539 2.364 5.975 235 HZ PHE 34 HZ PHE 34 10.345 4.202 4.349 236 H GLU 35 HN GLU 35 9.955 6.280 8.905 237 HA GLU 35 HA GLU 35 7.388 6.568 10.085 238 1HB GLU 35 HB2 GLU 35 8.729 7.536 7.606 239 2HB GLU 35 HB1 GLU 35 6.973 7.563 7.646 240 1HG GLU 35 HG2 GLU 35 7.708 8.679 10.064 241 2HG GLU 35 HG1 GLU 35 8.889 9.315 8.920 242 H GLY 36 HN GLY 36 8.479 5.093 7.020 243 1HA GLY 36 HA2 GLY 36 5.919 3.808 6.620 244 2HA GLY 36 HA1 GLY 36 7.330 3.672 5.584 245 H GLY 37 HN GLY 37 8.003 3.089 8.869 246 1HA GLY 37 HA2 GLY 37 8.887 0.492 8.453 247 2HA GLY 37 HA1 GLY 37 8.547 1.205 10.017 248 H LYS 38 HN LYS 38 5.667 1.536 8.701 249 HA LYS 38 HA LYS 38 4.792 -1.223 8.837 250 1HB LYS 38 HB2 LYS 38 3.060 -0.709 10.544 251 2HB LYS 38 HB1 LYS 38 4.703 -0.642 11.166 252 1HG LYS 38 HG2 LYS 38 4.563 1.538 11.656 253 2HG LYS 38 HG1 LYS 38 3.666 1.916 10.185 254 1HD LYS 38 HD2 LYS 38 1.860 0.434 11.637 255 2HD LYS 38 HD1 LYS 38 2.695 1.364 12.883 256 1HE LYS 38 HE2 LYS 38 1.768 3.297 12.224 257 2HE LYS 38 HE1 LYS 38 1.977 2.921 10.514 258 1HZ LYS 38 HZ1 LYS 38 -0.198 1.950 12.286 259 2HZ LYS 38 HZ2 LYS 38 0.029 1.445 10.688 260 3HZ LYS 38 HZ3 LYS 38 -0.344 3.061 11.017 261 H ALA 39 HN ALA 39 3.386 -1.546 7.294 262 HA ALA 39 HA ALA 39 1.525 0.593 6.541 263 1HB ALA 39 HB1 ALA 39 3.450 -0.843 4.782 264 2HB ALA 39 HB2 ALA 39 2.919 0.838 4.741 265 3HB ALA 39 HB3 ALA 39 1.859 -0.437 4.137 266 H SER 40 HN SER 40 -0.501 -0.095 5.945 267 HA SER 40 HA SER 40 -0.996 -2.973 6.290 268 1HB SER 40 HB2 SER 40 -3.445 -1.872 6.680 269 2HB SER 40 HB1 SER 40 -2.296 -2.195 7.980 270 HG SER 40 HG SER 40 -2.484 0.256 6.564 271 H ASP 41 HN ASP 41 -2.429 -0.128 4.673 272 HA ASP 41 HA ASP 41 -3.263 -1.841 2.472 273 1HB ASP 41 HB2 ASP 41 -4.195 0.929 3.281 274 2HB ASP 41 HB1 ASP 41 -4.756 0.054 1.860 275 H PHE 42 HN PHE 42 -0.879 -1.768 1.935 276 HA PHE 42 HA PHE 42 0.009 0.804 0.889 277 1HB PHE 42 HB2 PHE 42 1.557 -0.702 2.211 278 2HB PHE 42 HB1 PHE 42 1.535 -1.800 0.840 279 HD1 PHE 42 HD1 PHE 42 3.677 -1.709 -0.079 280 HD2 PHE 42 HD2 PHE 42 1.690 1.912 0.938 281 HE1 PHE 42 HE1 PHE 42 5.483 -0.431 -1.135 282 HE2 PHE 42 HE2 PHE 42 3.502 3.200 -0.112 283 HZ PHE 42 HZ PHE 42 5.403 2.028 -1.149 284 H VAL 43 HN VAL 43 -0.733 1.322 -1.035 285 HA VAL 43 HA VAL 43 -1.435 -0.696 -2.972 286 HB VAL 43 HB VAL 43 -1.517 2.316 -3.205 287 1HG1 VAL 43 1HG1 VAL 43 -2.087 0.164 -5.052 288 2HG1 VAL 43 2HG1 VAL 43 -1.977 1.902 -5.339 289 3HG1 VAL 43 3HG1 VAL 43 -3.495 1.194 -4.791 290 1HG2 VAL 43 1HG2 VAL 43 -3.169 0.468 -1.721 291 2HG2 VAL 43 2HG2 VAL 43 -4.110 1.329 -2.938 292 3HG2 VAL 43 3HG2 VAL 43 -3.187 2.230 -1.734 293 H LEU 44 HN LEU 44 0.389 -1.637 -3.760 294 HA LEU 44 HA LEU 44 2.620 -0.003 -4.645 295 1HB LEU 44 HB2 LEU 44 2.355 -2.598 -3.650 296 2HB LEU 44 HB1 LEU 44 2.803 -2.808 -5.332 297 HG LEU 44 HG LEU 44 4.344 -1.343 -3.198 298 1HD1 LEU 44 1HD1 LEU 44 6.095 -2.996 -4.087 299 2HD1 LEU 44 2HD1 LEU 44 4.720 -3.864 -4.760 300 3HD1 LEU 44 3HD1 LEU 44 4.833 -3.601 -3.018 301 1HD2 LEU 44 1HD2 LEU 44 5.909 -1.437 -5.481 302 2HD2 LEU 44 2HD2 LEU 44 5.129 -0.008 -4.803 303 3HD2 LEU 44 3HD2 LEU 44 4.326 -0.934 -6.069 304 H ALA 45 HN ALA 45 3.100 0.491 -6.678 305 HA ALA 45 HA ALA 45 1.216 -0.307 -8.774 306 1HB ALA 45 HB1 ALA 45 3.325 1.847 -8.740 307 2HB ALA 45 HB2 ALA 45 1.594 2.068 -8.526 308 3HB ALA 45 HB3 ALA 45 2.222 1.522 -10.076 309 H MET 46 HN MET 46 1.830 -2.212 -9.700 310 HA MET 46 HA MET 46 4.544 -3.011 -9.994 311 1HB MET 46 HB2 MET 46 1.947 -4.141 -10.459 312 2HB MET 46 HB1 MET 46 2.982 -4.451 -11.844 313 1HG MET 46 HG2 MET 46 3.960 -4.975 -9.078 314 2HG MET 46 HG1 MET 46 2.909 -6.131 -9.885 315 1HE MET 46 HE1 MET 46 6.702 -5.843 -9.210 316 2HE MET 46 HE2 MET 46 6.587 -7.489 -9.830 317 3HE MET 46 HE3 MET 46 5.367 -6.880 -8.712 318 H GLY 47 HN GLY 47 5.438 -1.178 -11.018 319 1HA GLY 47 HA2 GLY 47 6.550 -0.733 -13.119 320 2HA GLY 47 HA1 GLY 47 5.085 -1.239 -13.946 321 H GLN 48 HN GLN 48 6.226 1.231 -11.659 322 HA GLN 48 HA GLN 48 4.575 3.197 -13.104 323 1HB GLN 48 HB2 GLN 48 4.053 2.432 -10.569 324 2HB GLN 48 HB1 GLN 48 5.210 3.718 -10.256 325 1HG GLN 48 HG2 GLN 48 3.519 4.852 -12.098 326 2HG GLN 48 HG1 GLN 48 2.438 3.864 -11.117 327 1HE2 GLN 48 1HE2 GLN 48 4.279 6.719 -11.294 328 2HE2 GLN 48 2HE2 GLN 48 3.960 7.304 -9.701 329 H GLY 49 HN GLY 49 7.084 3.295 -10.574 330 1HA GLY 49 HA2 GLY 49 8.476 5.356 -12.139 331 2HA GLY 49 HA1 GLY 49 8.697 5.048 -10.422 332 H ARG 50 HN ARG 50 9.248 2.488 -10.190 333 HA ARG 50 HA ARG 50 10.873 1.221 -12.048 334 1HB ARG 50 HB2 ARG 50 13.128 1.690 -11.192 335 2HB ARG 50 HB1 ARG 50 12.376 3.141 -11.838 336 1HG ARG 50 HG2 ARG 50 12.637 4.197 -9.912 337 2HG ARG 50 HG1 ARG 50 11.788 2.915 -9.048 338 1HD ARG 50 HD2 ARG 50 14.195 3.432 -8.352 339 2HD ARG 50 HD1 ARG 50 13.759 1.747 -8.604 340 HE ARG 50 HE ARG 50 15.321 3.397 -10.477 341 1HH1 ARG 50 1HH1 ARG 50 14.377 0.259 -9.249 342 2HH1 ARG 50 2HH1 ARG 50 15.531 -0.595 -10.212 343 1HH2 ARG 50 1HH2 ARG 50 16.831 2.265 -11.735 344 2HH2 ARG 50 2HH2 ARG 50 16.921 0.538 -11.621 345 H MET 51 HN MET 51 9.308 -0.189 -10.815 346 HA MET 51 HA MET 51 9.489 -0.871 -8.165 347 1HB MET 51 HB2 MET 51 8.013 -1.803 -10.172 348 2HB MET 51 HB1 MET 51 9.188 -3.109 -10.105 349 1HG MET 51 HG2 MET 51 7.823 -3.995 -8.584 350 2HG MET 51 HG1 MET 51 8.543 -2.826 -7.477 351 1HE MET 51 HE1 MET 51 5.963 0.136 -7.798 352 2HE MET 51 HE2 MET 51 7.611 -0.188 -8.337 353 3HE MET 51 HE3 MET 51 7.154 -0.497 -6.661 354 H ILE 52 HN ILE 52 11.191 -1.362 -7.002 355 HA ILE 52 HA ILE 52 13.630 -2.333 -8.086 356 HB ILE 52 HB ILE 52 14.042 -2.826 -5.498 357 1HG1 ILE 52 2HG1 ILE 52 11.878 -0.710 -5.445 358 2HG1 ILE 52 1HG1 ILE 52 11.680 -2.363 -4.869 359 1HG2 ILE 52 1HG2 ILE 52 15.339 -1.269 -6.746 360 2HG2 ILE 52 2HG2 ILE 52 14.775 -0.449 -5.290 361 3HG2 ILE 52 3HG2 ILE 52 13.991 -0.133 -6.837 362 1HD1 ILE 52 1HD1 ILE 52 12.195 -0.453 -3.199 363 2HD1 ILE 52 2HD1 ILE 52 13.852 -0.648 -3.766 364 3HD1 ILE 52 3HD1 ILE 52 13.011 -2.008 -3.024 365 HA PRO 53 HA PRO 53 13.279 -6.710 -7.972 366 1HB PRO 53 HB2 PRO 53 15.503 -7.500 -6.563 367 2HB PRO 53 HB1 PRO 53 15.525 -7.007 -8.260 368 1HG PRO 53 HG2 PRO 53 16.213 -5.427 -5.816 369 2HG PRO 53 HG1 PRO 53 17.030 -5.472 -7.390 370 1HD PRO 53 HD2 PRO 53 15.395 -3.452 -6.709 371 2HD PRO 53 HD1 PRO 53 15.479 -4.057 -8.377 372 H GLY 54 HN GLY 54 13.396 -4.935 -5.033 373 1HA GLY 54 HA2 GLY 54 12.963 -7.153 -3.263 374 2HA GLY 54 HA1 GLY 54 12.801 -5.448 -2.871 375 H PHE 55 HN PHE 55 10.869 -4.409 -4.119 376 HA PHE 55 HA PHE 55 8.527 -5.649 -3.148 377 1HB PHE 55 HB2 PHE 55 9.110 -3.232 -4.826 378 2HB PHE 55 HB1 PHE 55 7.459 -3.811 -4.709 379 HD1 PHE 55 HD1 PHE 55 6.806 -4.353 -2.089 380 HD2 PHE 55 HD2 PHE 55 9.643 -1.496 -3.468 381 HE1 PHE 55 HE1 PHE 55 6.515 -3.078 -0.026 382 HE2 PHE 55 HE2 PHE 55 9.355 -0.212 -1.388 383 HZ PHE 55 HZ PHE 55 7.788 -1.003 0.338 384 H GLU 56 HN GLU 56 9.927 -5.234 -6.360 385 HA GLU 56 HA GLU 56 7.838 -6.394 -7.825 386 1HB GLU 56 HB2 GLU 56 9.889 -5.071 -8.653 387 2HB GLU 56 HB1 GLU 56 10.730 -6.615 -8.617 388 1HG GLU 56 HG2 GLU 56 8.565 -7.332 -10.015 389 2HG GLU 56 HG1 GLU 56 8.647 -5.626 -10.455 390 H ASP 57 HN ASP 57 10.020 -7.813 -5.643 391 HA ASP 57 HA ASP 57 10.096 -10.409 -6.867 392 1HB ASP 57 HB2 ASP 57 11.900 -9.567 -5.367 393 2HB ASP 57 HB1 ASP 57 10.775 -9.649 -4.018 394 H GLY 58 HN GLY 58 8.898 -9.549 -3.599 395 1HA GLY 58 HA2 GLY 58 7.104 -11.776 -3.628 396 2HA GLY 58 HA1 GLY 58 7.226 -10.550 -2.379 397 H ILE 59 HN ILE 59 6.620 -8.265 -3.720 398 HA ILE 59 HA ILE 59 3.794 -8.488 -4.032 399 HB ILE 59 HB ILE 59 5.537 -6.052 -4.514 400 1HG1 ILE 59 2HG1 ILE 59 4.883 -5.607 -2.049 401 2HG1 ILE 59 1HG1 ILE 59 4.655 -7.333 -1.941 402 1HG2 ILE 59 1HG2 ILE 59 3.320 -5.125 -3.357 403 2HG2 ILE 59 2HG2 ILE 59 2.655 -6.584 -4.092 404 3HG2 ILE 59 3HG2 ILE 59 3.448 -5.371 -5.099 405 1HD1 ILE 59 1HD1 ILE 59 6.968 -5.987 -1.465 406 2HD1 ILE 59 2HD1 ILE 59 7.183 -6.537 -3.119 407 3HD1 ILE 59 3HD1 ILE 59 6.849 -7.700 -1.848 408 H LYS 60 HN LYS 60 5.138 -9.924 -5.837 409 HA LYS 60 HA LYS 60 5.479 -8.843 -8.432 410 1HB LYS 60 HB2 LYS 60 4.783 -11.541 -7.380 411 2HB LYS 60 HB1 LYS 60 4.330 -11.225 -9.049 412 1HG LYS 60 HG2 LYS 60 7.003 -10.337 -8.657 413 2HG LYS 60 HG1 LYS 60 6.852 -11.974 -8.020 414 1HD LYS 60 HD2 LYS 60 5.641 -12.473 -10.252 415 2HD LYS 60 HD1 LYS 60 6.392 -10.976 -10.809 416 1HE LYS 60 HE2 LYS 60 8.572 -12.037 -9.865 417 2HE LYS 60 HE1 LYS 60 7.674 -13.550 -9.984 418 1HZ LYS 60 HZ1 LYS 60 8.415 -11.694 -12.167 419 2HZ LYS 60 HZ2 LYS 60 7.239 -12.892 -12.365 420 3HZ LYS 60 HZ3 LYS 60 8.832 -13.324 -11.994 421 H GLY 61 HN GLY 61 2.713 -10.290 -6.877 422 1HA GLY 61 HA2 GLY 61 0.544 -9.157 -6.792 423 2HA GLY 61 HA1 GLY 61 0.868 -8.597 -8.431 424 H HIS 62 HN HIS 62 1.423 -11.705 -6.970 425 HA HIS 62 HA HIS 62 -0.494 -12.910 -8.866 426 1HB HIS 62 HB2 HIS 62 1.009 -14.854 -9.066 427 2HB HIS 62 HB1 HIS 62 1.755 -13.368 -9.638 428 HD2 HIS 62 HD2 HIS 62 2.661 -12.529 -6.401 429 HE1 HIS 62 HE1 HIS 62 5.162 -15.901 -6.978 430 HE2 HIS 62 HE2 HIS 62 4.764 -13.810 -5.633 431 H LYS 63 HN LYS 63 0.467 -12.638 -5.617 432 HA LYS 63 HA LYS 63 -1.216 -14.950 -4.916 433 1HB LYS 63 HB2 LYS 63 1.194 -13.790 -3.537 434 2HB LYS 63 HB1 LYS 63 0.044 -14.812 -2.686 435 1HG LYS 63 HG2 LYS 63 0.732 -16.690 -3.712 436 2HG LYS 63 HG1 LYS 63 1.086 -15.867 -5.232 437 1HD LYS 63 HD2 LYS 63 3.246 -15.774 -4.709 438 2HD LYS 63 HD1 LYS 63 2.873 -14.906 -3.221 439 1HE LYS 63 HE2 LYS 63 4.143 -17.001 -2.850 440 2HE LYS 63 HE1 LYS 63 2.589 -16.970 -2.021 441 1HZ LYS 63 HZ1 LYS 63 1.754 -18.206 -4.092 442 2HZ LYS 63 HZ2 LYS 63 2.668 -19.066 -2.961 443 3HZ LYS 63 HZ3 LYS 63 3.386 -18.530 -4.395 444 H ALA 64 HN ALA 64 -3.074 -13.564 -5.088 445 HA ALA 64 HA ALA 64 -3.439 -11.204 -3.619 446 1HB ALA 64 HB1 ALA 64 -4.887 -11.928 -5.483 447 2HB ALA 64 HB2 ALA 64 -5.799 -11.487 -4.040 448 3HB ALA 64 HB3 ALA 64 -5.555 -13.186 -4.443 449 H GLY 65 HN GLY 65 -2.828 -11.320 -1.478 450 1HA GLY 65 HA2 GLY 65 -3.736 -11.512 0.739 451 2HA GLY 65 HA1 GLY 65 -4.566 -12.974 0.230 452 H GLU 66 HN GLU 66 -1.187 -12.186 -0.363 453 HA GLU 66 HA GLU 66 -0.418 -14.646 1.019 454 1HB GLU 66 HB2 GLU 66 0.277 -13.771 -1.401 455 2HB GLU 66 HB1 GLU 66 1.557 -13.012 -0.476 456 1HG GLU 66 HG2 GLU 66 2.182 -15.203 -1.408 457 2HG GLU 66 HG1 GLU 66 2.310 -15.126 0.346 458 H GLU 67 HN GLU 67 1.733 -14.619 2.098 459 HA GLU 67 HA GLU 67 2.343 -12.118 3.487 460 1HB GLU 67 HB2 GLU 67 2.159 -14.776 4.918 461 2HB GLU 67 HB1 GLU 67 2.469 -13.201 5.638 462 1HG GLU 67 HG2 GLU 67 0.304 -13.065 6.055 463 2HG GLU 67 HG1 GLU 67 0.046 -12.897 4.319 464 H PHE 68 HN PHE 68 4.351 -11.734 2.707 465 HA PHE 68 HA PHE 68 6.340 -13.884 3.009 466 1HB PHE 68 HB2 PHE 68 7.348 -13.140 0.828 467 2HB PHE 68 HB1 PHE 68 5.783 -13.943 0.684 468 HD1 PHE 68 HD1 PHE 68 3.858 -12.776 -0.065 469 HD2 PHE 68 HD2 PHE 68 7.536 -10.737 0.540 470 HE1 PHE 68 HE1 PHE 68 2.957 -10.820 -1.238 471 HE2 PHE 68 HE2 PHE 68 6.641 -8.770 -0.638 472 HZ PHE 68 HZ PHE 68 4.345 -8.815 -1.533 473 H THR 69 HN THR 69 8.606 -13.036 2.774 474 HA THR 69 HA THR 69 8.822 -10.309 3.856 475 HB THR 69 HB THR 69 10.642 -12.589 4.612 476 HG1 THR 69 HG1 THR 69 8.515 -11.594 6.185 477 1HG2 THR 69 1HG2 THR 69 10.299 -9.788 5.547 478 2HG2 THR 69 2HG2 THR 69 11.773 -10.707 5.243 479 3HG2 THR 69 3HG2 THR 69 10.817 -11.026 6.691 480 H ILE 70 HN ILE 70 9.827 -9.055 2.433 481 HA ILE 70 HA ILE 70 12.149 -10.154 0.995 482 HB ILE 70 HB ILE 70 11.582 -9.042 -1.027 483 1HG1 ILE 70 2HG1 ILE 70 10.621 -6.989 -0.010 484 2HG1 ILE 70 1HG1 ILE 70 9.634 -7.621 -1.322 485 1HG2 ILE 70 1HG2 ILE 70 9.659 -10.858 0.203 486 2HG2 ILE 70 2HG2 ILE 70 10.434 -10.921 -1.378 487 3HG2 ILE 70 3HG2 ILE 70 8.998 -9.927 -1.139 488 1HD1 ILE 70 1HD1 ILE 70 7.968 -7.270 0.129 489 2HD1 ILE 70 2HD1 ILE 70 9.032 -7.343 1.540 490 3HD1 ILE 70 3HD1 ILE 70 8.470 -8.833 0.778 491 H ASP 71 HN ASP 71 13.599 -8.417 0.139 492 HA ASP 71 HA ASP 71 13.854 -6.295 2.139 493 1HB ASP 71 HB2 ASP 71 15.823 -7.746 1.702 494 2HB ASP 71 HB1 ASP 71 15.815 -7.218 0.022 495 H VAL 72 HN VAL 72 14.175 -4.086 1.440 496 HA VAL 72 HA VAL 72 13.687 -3.513 -1.356 497 HB VAL 72 HB VAL 72 11.791 -2.762 0.795 498 1HG1 VAL 72 1HG1 VAL 72 11.266 -1.415 -1.720 499 2HG1 VAL 72 2HG1 VAL 72 12.740 -0.847 -0.940 500 3HG1 VAL 72 3HG1 VAL 72 11.208 -0.785 -0.076 501 1HG2 VAL 72 1HG2 VAL 72 10.109 -3.534 -0.729 502 2HG2 VAL 72 2HG2 VAL 72 11.375 -4.757 -0.586 503 3HG2 VAL 72 3HG2 VAL 72 11.314 -3.712 -2.005 504 H THR 73 HN THR 73 14.810 -1.737 -2.031 505 HA THR 73 HA THR 73 15.589 0.294 -0.118 506 HB THR 73 HB THR 73 17.522 -1.485 -1.606 507 HG1 THR 73 HG1 THR 73 18.497 -1.550 0.452 508 1HG2 THR 73 1HG2 THR 73 17.953 1.320 -0.677 509 2HG2 THR 73 2HG2 THR 73 18.440 0.555 -2.191 510 3HG2 THR 73 3HG2 THR 73 19.275 0.150 -0.691 511 H PHE 74 HN PHE 74 15.281 2.218 -1.098 512 HA PHE 74 HA PHE 74 14.717 2.240 -3.926 513 1HB PHE 74 HB2 PHE 74 14.521 4.334 -1.776 514 2HB PHE 74 HB1 PHE 74 14.161 4.659 -3.469 515 HD1 PHE 74 HD1 PHE 74 13.323 1.995 -0.972 516 HD2 PHE 74 HD2 PHE 74 11.953 4.654 -3.983 517 HE1 PHE 74 HE1 PHE 74 11.027 1.159 -0.665 518 HE2 PHE 74 HE2 PHE 74 9.657 3.836 -3.685 519 HZ PHE 74 HZ PHE 74 9.191 2.091 -2.020 520 HA PRO 75 HA PRO 75 18.826 3.478 -5.072 521 1HB PRO 75 HB2 PRO 75 18.290 4.198 -7.635 522 2HB PRO 75 HB1 PRO 75 18.405 2.513 -7.111 523 1HG PRO 75 HG2 PRO 75 15.965 4.195 -7.552 524 2HG PRO 75 HG1 PRO 75 16.262 2.510 -8.018 525 1HD PRO 75 HD2 PRO 75 14.811 3.183 -5.842 526 2HD PRO 75 HD1 PRO 75 15.810 1.715 -5.905 527 H GLU 76 HN GLU 76 19.872 5.377 -6.219 528 HA GLU 76 HA GLU 76 19.082 7.778 -4.916 529 1HB GLU 76 HB2 GLU 76 21.414 6.792 -6.080 530 2HB GLU 76 HB1 GLU 76 20.974 8.162 -7.091 531 1HG GLU 76 HG2 GLU 76 21.355 9.677 -5.451 532 2HG GLU 76 HG1 GLU 76 20.885 8.567 -4.163 533 H GLU 77 HN GLU 77 18.083 6.346 -7.819 534 HA GLU 77 HA GLU 77 17.514 8.844 -9.174 535 1HB GLU 77 HB2 GLU 77 16.416 7.295 -10.865 536 2HB GLU 77 HB1 GLU 77 18.150 7.120 -10.645 537 1HG GLU 77 HG2 GLU 77 16.715 5.384 -8.858 538 2HG GLU 77 HG1 GLU 77 16.213 5.125 -10.526 539 H TYR 78 HN TYR 78 15.844 6.470 -7.236 540 HA TYR 78 HA TYR 78 13.193 7.304 -7.871 541 1HB TYR 78 HB2 TYR 78 14.014 5.106 -6.749 542 2HB TYR 78 HB1 TYR 78 13.972 6.030 -5.256 543 HD1 TYR 78 HD1 TYR 78 12.130 4.021 -7.481 544 HD2 TYR 78 HD2 TYR 78 11.696 7.206 -4.690 545 HE1 TYR 78 HE1 TYR 78 9.737 3.506 -7.281 546 HE2 TYR 78 HE2 TYR 78 9.300 6.702 -4.486 547 HH TYR 78 HH TYR 78 7.616 5.400 -5.140 548 H HIS 79 HN HIS 79 14.901 7.594 -4.784 549 HA HIS 79 HA HIS 79 14.516 9.018 -3.037 550 1HB HIS 79 HB2 HIS 79 15.617 10.545 -5.339 551 2HB HIS 79 HB1 HIS 79 15.244 11.404 -3.846 552 HD2 HIS 79 HD2 HIS 79 16.634 7.838 -3.371 553 HE1 HIS 79 HE1 HIS 79 19.798 10.567 -2.614 554 HE2 HIS 79 HE2 HIS 79 19.061 8.158 -2.529 555 H ALA 80 HN ALA 80 12.171 8.763 -2.860 556 HA ALA 80 HA ALA 80 10.542 10.873 -4.020 557 1HB ALA 80 HB1 ALA 80 9.868 8.382 -3.680 558 2HB ALA 80 HB2 ALA 80 8.681 9.657 -3.405 559 3HB ALA 80 HB3 ALA 80 9.497 8.902 -2.038 560 H GLU 81 HN GLU 81 9.429 12.423 -2.821 561 HA GLU 81 HA GLU 81 10.774 13.745 -0.847 562 1HB GLU 81 HB2 GLU 81 8.701 14.976 -0.420 563 2HB GLU 81 HB1 GLU 81 8.982 14.750 -2.140 564 1HG GLU 81 HG2 GLU 81 7.439 12.713 -1.922 565 2HG GLU 81 HG1 GLU 81 6.965 13.416 -0.375 566 H ASN 82 HN ASN 82 8.645 11.004 -0.389 567 HA ASN 82 HA ASN 82 8.509 11.521 2.478 568 1HB ASN 82 HB2 ASN 82 6.991 9.524 2.496 569 2HB ASN 82 HB1 ASN 82 6.434 10.879 1.521 570 1HD2 ASN 82 1HD2 ASN 82 8.139 7.803 1.337 571 2HD2 ASN 82 2HD2 ASN 82 7.610 7.397 -0.254 572 H LEU 83 HN LEU 83 9.880 9.040 0.316 573 HA LEU 83 HA LEU 83 11.398 8.075 2.641 574 1HB LEU 83 HB2 LEU 83 10.967 5.836 2.235 575 2HB LEU 83 HB1 LEU 83 9.417 6.618 2.049 576 HG LEU 83 HG LEU 83 9.295 5.248 0.253 577 1HD1 LEU 83 1HD1 LEU 83 9.405 6.429 -1.646 578 2HD1 LEU 83 2HD1 LEU 83 11.088 6.890 -1.402 579 3HD1 LEU 83 3HD1 LEU 83 9.806 7.755 -0.564 580 1HD2 LEU 83 1HD2 LEU 83 12.273 5.372 -0.086 581 2HD2 LEU 83 2HD2 LEU 83 11.157 4.322 -0.938 582 3HD2 LEU 83 3HD2 LEU 83 11.385 4.127 0.791 583 H LYS 84 HN LYS 84 11.982 9.689 0.105 584 HA LYS 84 HA LYS 84 13.476 8.607 -1.791 585 1HB LYS 84 HB2 LYS 84 15.027 10.519 -1.703 586 2HB LYS 84 HB1 LYS 84 13.350 11.008 -1.536 587 1HG LYS 84 HG2 LYS 84 14.028 10.719 1.058 588 2HG LYS 84 HG1 LYS 84 15.579 11.202 0.368 589 1HD LYS 84 HD2 LYS 84 14.367 13.116 -0.733 590 2HD LYS 84 HD1 LYS 84 12.960 12.685 0.241 591 1HE LYS 84 HE2 LYS 84 15.681 13.438 1.303 592 2HE LYS 84 HE1 LYS 84 14.264 14.486 1.271 593 1HZ LYS 84 HZ1 LYS 84 13.547 13.597 3.154 594 2HZ LYS 84 HZ2 LYS 84 14.997 12.734 3.273 595 3HZ LYS 84 HZ3 LYS 84 13.650 12.026 2.535 596 H GLY 85 HN GLY 85 15.135 7.310 -2.085 597 1HA GLY 85 HA2 GLY 85 16.846 5.854 -1.608 598 2HA GLY 85 HA1 GLY 85 17.544 7.234 -0.779 599 H LYS 86 HN LYS 86 14.827 5.009 -0.101 600 HA LYS 86 HA LYS 86 15.795 4.809 2.651 601 1HB LYS 86 HB2 LYS 86 13.407 5.410 2.194 602 2HB LYS 86 HB1 LYS 86 13.193 3.800 1.525 603 1HG LYS 86 HG2 LYS 86 14.376 3.706 4.158 604 2HG LYS 86 HG1 LYS 86 12.840 4.572 4.162 605 1HD LYS 86 HD2 LYS 86 13.339 1.779 3.128 606 2HD LYS 86 HD1 LYS 86 12.453 2.221 4.588 607 1HE LYS 86 HE2 LYS 86 11.154 3.668 2.665 608 2HE LYS 86 HE1 LYS 86 11.589 2.202 1.790 609 1HZ LYS 86 HZ1 LYS 86 10.637 1.278 4.163 610 2HZ LYS 86 HZ2 LYS 86 9.774 1.335 2.710 611 3HZ LYS 86 HZ3 LYS 86 9.617 2.586 3.833 612 H ALA 87 HN ALA 87 17.538 3.356 2.257 613 HA ALA 87 HA ALA 87 17.065 0.773 1.087 614 1HB ALA 87 HB1 ALA 87 19.369 2.103 2.452 615 2HB ALA 87 HB2 ALA 87 19.282 1.392 0.845 616 3HB ALA 87 HB3 ALA 87 19.375 0.350 2.263 617 H ALA 88 HN ALA 88 15.445 -0.266 2.238 618 HA ALA 88 HA ALA 88 16.101 -0.887 5.043 619 1HB ALA 88 HB1 ALA 88 14.326 0.913 4.669 620 2HB ALA 88 HB2 ALA 88 13.945 -0.392 5.787 621 3HB ALA 88 HB3 ALA 88 13.290 -0.412 4.153 622 H LYS 89 HN LYS 89 14.102 -2.413 5.771 623 HA LYS 89 HA LYS 89 13.888 -4.676 3.908 624 1HB LYS 89 HB2 LYS 89 14.799 -4.761 6.794 625 2HB LYS 89 HB1 LYS 89 14.224 -6.182 5.933 626 1HG LYS 89 HG2 LYS 89 16.056 -6.163 4.461 627 2HG LYS 89 HG1 LYS 89 16.514 -4.525 4.929 628 1HD LYS 89 HD2 LYS 89 16.454 -6.219 7.247 629 2HD LYS 89 HD1 LYS 89 17.459 -6.953 5.995 630 1HE LYS 89 HE2 LYS 89 18.298 -4.387 5.861 631 2HE LYS 89 HE1 LYS 89 17.874 -4.497 7.570 632 1HZ LYS 89 HZ1 LYS 89 19.942 -5.950 6.073 633 2HZ LYS 89 HZ2 LYS 89 19.248 -6.681 7.430 634 3HZ LYS 89 HZ3 LYS 89 20.040 -5.196 7.584 635 H PHE 90 HN PHE 90 11.849 -5.729 4.047 636 HA PHE 90 HA PHE 90 10.128 -4.996 6.260 637 1HB PHE 90 HB2 PHE 90 8.744 -4.981 3.646 638 2HB PHE 90 HB1 PHE 90 8.394 -4.080 5.113 639 HD1 PHE 90 HD1 PHE 90 8.947 -3.582 1.902 640 HD2 PHE 90 HD2 PHE 90 10.719 -2.499 5.602 641 HE1 PHE 90 HE1 PHE 90 9.844 -1.543 0.869 642 HE2 PHE 90 HE2 PHE 90 11.619 -0.456 4.584 643 HZ PHE 90 HZ PHE 90 11.185 0.027 2.207 644 H ALA 91 HN ALA 91 8.094 -6.287 6.282 645 HA ALA 91 HA ALA 91 8.354 -8.886 4.955 646 1HB ALA 91 HB1 ALA 91 6.996 -9.597 7.126 647 2HB ALA 91 HB2 ALA 91 7.854 -8.228 7.831 648 3HB ALA 91 HB3 ALA 91 8.759 -9.570 7.133 649 H ILE 92 HN ILE 92 6.884 -8.616 3.420 650 HA ILE 92 HA ILE 92 4.503 -7.038 3.948 651 HB ILE 92 HB ILE 92 5.529 -8.177 1.356 652 1HG1 ILE 92 2HG1 ILE 92 6.137 -5.630 2.819 653 2HG1 ILE 92 1HG1 ILE 92 7.246 -6.772 2.101 654 1HG2 ILE 92 1HG2 ILE 92 4.154 -6.323 0.381 655 2HG2 ILE 92 2HG2 ILE 92 3.438 -6.113 1.979 656 3HG2 ILE 92 3HG2 ILE 92 3.247 -7.641 1.115 657 1HD1 ILE 92 1HD1 ILE 92 5.718 -5.815 -0.017 658 2HD1 ILE 92 2HD1 ILE 92 7.389 -5.405 0.374 659 3HD1 ILE 92 3HD1 ILE 92 6.070 -4.412 0.991 660 H ASN 93 HN ASN 93 2.471 -7.594 2.988 661 HA ASN 93 HA ASN 93 1.893 -10.448 2.706 662 1HB ASN 93 HB2 ASN 93 -0.033 -8.647 4.151 663 2HB ASN 93 HB1 ASN 93 0.069 -10.405 4.182 664 1HD2 ASN 93 1HD2 ASN 93 2.235 -11.210 5.079 665 2HD2 ASN 93 2HD2 ASN 93 2.777 -10.442 6.526 666 H LEU 94 HN LEU 94 1.365 -10.486 0.561 667 HA LEU 94 HA LEU 94 0.183 -8.309 -0.805 668 1HB LEU 94 HB2 LEU 94 1.556 -10.202 -1.797 669 2HB LEU 94 HB1 LEU 94 0.100 -11.170 -1.725 670 HG LEU 94 HG LEU 94 -1.001 -9.390 -3.165 671 1HD1 LEU 94 1HD1 LEU 94 1.319 -8.441 -4.451 672 2HD1 LEU 94 2HD1 LEU 94 1.532 -8.140 -2.729 673 3HD1 LEU 94 3HD1 LEU 94 0.110 -7.511 -3.565 674 1HD2 LEU 94 1HD2 LEU 94 0.874 -11.474 -3.870 675 2HD2 LEU 94 2HD2 LEU 94 0.828 -10.206 -5.095 676 3HD2 LEU 94 3HD2 LEU 94 -0.657 -11.033 -4.625 677 H LYS 95 HN LYS 95 -1.907 -8.147 -1.774 678 HA LYS 95 HA LYS 95 -3.977 -9.914 -0.781 679 1HB LYS 95 HB2 LYS 95 -3.707 -7.058 0.073 680 2HB LYS 95 HB1 LYS 95 -5.305 -7.767 -0.097 681 1HG LYS 95 HG2 LYS 95 -4.955 -9.285 1.624 682 2HG LYS 95 HG1 LYS 95 -3.201 -9.106 1.553 683 1HD LYS 95 HD2 LYS 95 -3.900 -7.947 3.493 684 2HD LYS 95 HD1 LYS 95 -3.543 -6.712 2.285 685 1HE LYS 95 HE2 LYS 95 -5.591 -5.897 2.517 686 2HE LYS 95 HE1 LYS 95 -6.263 -7.438 1.984 687 1HZ LYS 95 HZ1 LYS 95 -5.541 -7.831 4.607 688 2HZ LYS 95 HZ2 LYS 95 -7.110 -7.623 4.011 689 3HZ LYS 95 HZ3 LYS 95 -6.241 -6.291 4.585 690 H LYS 96 HN LYS 96 -5.068 -6.808 -1.681 691 HA LYS 96 HA LYS 96 -6.349 -7.870 -3.982 692 1HB LYS 96 HB2 LYS 96 -6.297 -5.245 -2.592 693 2HB LYS 96 HB1 LYS 96 -6.863 -5.275 -4.255 694 1HG LYS 96 HG2 LYS 96 -8.734 -6.481 -3.745 695 2HG LYS 96 HG1 LYS 96 -7.987 -7.254 -2.345 696 1HD LYS 96 HD2 LYS 96 -9.513 -5.778 -1.391 697 2HD LYS 96 HD1 LYS 96 -7.991 -4.890 -1.317 698 1HE LYS 96 HE2 LYS 96 -8.910 -4.128 -3.747 699 2HE LYS 96 HE1 LYS 96 -10.427 -4.357 -2.879 700 1HZ LYS 96 HZ1 LYS 96 -10.109 -2.391 -1.943 701 2HZ LYS 96 HZ2 LYS 96 -8.609 -2.215 -2.702 702 3HZ LYS 96 HZ3 LYS 96 -8.708 -2.965 -1.189 703 H VAL 97 HN VAL 97 -5.119 -8.393 -5.696 704 HA VAL 97 HA VAL 97 -3.296 -6.366 -6.795 705 HB VAL 97 HB VAL 97 -2.047 -8.331 -6.373 706 1HG1 VAL 97 1HG1 VAL 97 -3.147 -10.224 -5.972 707 2HG1 VAL 97 2HG1 VAL 97 -3.177 -10.471 -7.718 708 3HG1 VAL 97 3HG1 VAL 97 -4.541 -9.696 -6.915 709 1HG2 VAL 97 1HG2 VAL 97 -2.481 -7.483 -9.013 710 2HG2 VAL 97 2HG2 VAL 97 -2.406 -9.243 -9.071 711 3HG2 VAL 97 3HG2 VAL 97 -1.075 -8.326 -8.372 712 H GLU 98 HN GLU 98 -4.467 -5.194 -8.210 713 HA GLU 98 HA GLU 98 -6.036 -6.661 -10.226 714 1HB GLU 98 HB2 GLU 98 -6.679 -3.947 -9.071 715 2HB GLU 98 HB1 GLU 98 -7.627 -4.817 -10.269 716 1HG GLU 98 HG2 GLU 98 -8.810 -5.631 -8.585 717 2HG GLU 98 HG1 GLU 98 -7.397 -6.596 -8.158 718 H GLU 99 HN GLU 99 -6.423 -5.243 -12.245 719 HA GLU 99 HA GLU 99 -3.831 -4.204 -13.073 720 1HB GLU 99 HB2 GLU 99 -6.209 -4.659 -14.823 721 2HB GLU 99 HB1 GLU 99 -4.534 -4.526 -15.307 722 1HG GLU 99 HG2 GLU 99 -4.090 -6.621 -14.007 723 2HG GLU 99 HG1 GLU 99 -5.835 -6.782 -13.816 724 H ARG 100 HN ARG 100 -3.851 -2.165 -12.080 725 HA ARG 100 HA ARG 100 -5.905 -0.238 -12.539 726 1HB ARG 100 HB2 ARG 100 -4.403 1.349 -11.533 727 2HB ARG 100 HB1 ARG 100 -4.281 -0.160 -10.637 728 1HG ARG 100 HG2 ARG 100 -2.095 -0.178 -10.973 729 2HG ARG 100 HG1 ARG 100 -2.362 -0.250 -12.709 730 1HD ARG 100 HD2 ARG 100 -2.811 2.413 -12.027 731 2HD ARG 100 HD1 ARG 100 -1.399 1.932 -11.085 732 HE ARG 100 HE ARG 100 -1.328 1.176 -13.873 733 1HH1 ARG 100 1HH1 ARG 100 -0.481 3.604 -11.519 734 2HH1 ARG 100 2HH1 ARG 100 0.789 4.276 -12.483 735 1HH2 ARG 100 1HH2 ARG 100 0.335 2.054 -15.143 736 2HH2 ARG 100 2HH2 ARG 100 1.249 3.398 -14.544 737 H GLU 101 HN GLU 101 -5.585 1.783 -13.757 738 HA GLU 101 HA GLU 101 -3.559 1.964 -15.747 739 1HB GLU 101 HB2 GLU 101 -5.066 0.213 -16.732 740 2HB GLU 101 HB1 GLU 101 -6.345 1.419 -16.780 741 1HG GLU 101 HG2 GLU 101 -5.401 2.561 -18.502 742 2HG GLU 101 HG1 GLU 101 -3.758 2.113 -18.044 743 H LEU 102 HN LEU 102 -3.703 3.873 -14.225 744 HA LEU 102 HA LEU 102 -5.813 5.757 -14.613 745 1HB LEU 102 HB2 LEU 102 -3.115 5.860 -13.300 746 2HB LEU 102 HB1 LEU 102 -4.081 7.311 -13.486 747 HG LEU 102 HG LEU 102 -5.797 6.463 -12.066 748 1HD1 LEU 102 1HD1 LEU 102 -5.769 4.222 -11.124 749 2HD1 LEU 102 2HD1 LEU 102 -4.300 3.847 -12.025 750 3HD1 LEU 102 3HD1 LEU 102 -5.808 4.154 -12.885 751 1HD2 LEU 102 1HD2 LEU 102 -4.552 6.025 -9.982 752 2HD2 LEU 102 2HD2 LEU 102 -3.901 7.386 -10.893 753 3HD2 LEU 102 3HD2 LEU 102 -3.079 5.826 -10.933 754 HA PRO 103 HA PRO 103 -4.328 7.542 -18.394 755 1HB PRO 103 HB2 PRO 103 -5.705 9.879 -18.331 756 2HB PRO 103 HB1 PRO 103 -6.466 8.329 -18.705 757 1HG PRO 103 HG2 PRO 103 -6.430 9.850 -16.128 758 2HG PRO 103 HG1 PRO 103 -7.774 8.992 -16.905 759 1HD PRO 103 HD2 PRO 103 -6.349 7.936 -14.851 760 2HD PRO 103 HD1 PRO 103 -7.082 6.940 -16.124 761 H GLU 104 HN GLU 104 -2.312 8.286 -18.549 762 HA GLU 104 HA GLU 104 -1.110 9.991 -16.619 763 1HB GLU 104 HB2 GLU 104 -0.216 8.329 -18.674 764 2HB GLU 104 HB1 GLU 104 0.274 9.944 -19.171 765 1HG GLU 104 HG2 GLU 104 2.087 9.463 -17.937 766 2HG GLU 104 HG1 GLU 104 1.061 10.010 -16.611 767 H LEU 105 HN LEU 105 -1.685 10.555 -20.098 768 HA LEU 105 HA LEU 105 -1.496 13.417 -19.680 769 1HB LEU 105 HB2 LEU 105 -1.631 11.613 -22.049 770 2HB LEU 105 HB1 LEU 105 -2.108 13.288 -22.250 771 HG LEU 105 HG LEU 105 0.347 13.375 -20.890 772 1HD1 LEU 105 1HD1 LEU 105 0.175 11.085 -22.740 773 2HD1 LEU 105 2HD1 LEU 105 1.247 11.363 -21.367 774 3HD1 LEU 105 3HD1 LEU 105 1.587 12.127 -22.920 775 1HD2 LEU 105 1HD2 LEU 105 -0.870 14.527 -23.100 776 2HD2 LEU 105 2HD2 LEU 105 0.573 13.753 -23.753 777 3HD2 LEU 105 3HD2 LEU 105 0.716 14.925 -22.443 778 H THR 106 HN THR 106 -3.224 14.425 -18.891 779 HA THR 106 HA THR 106 -5.892 13.565 -19.781 780 HB THR 106 HB THR 106 -5.573 15.464 -17.514 781 HG1 THR 106 HG1 THR 106 -5.260 13.552 -16.146 782 1HG2 THR 106 1HG2 THR 106 -7.797 14.710 -18.153 783 2HG2 THR 106 2HG2 THR 106 -7.369 14.155 -16.535 784 3HG2 THR 106 3HG2 THR 106 -7.307 13.035 -17.895 Start of MODEL 30 1 1H GLY 1 HT1 GLY 1 -4.548 22.180 -2.684 2 2H GLY 1 HT2 GLY 1 -4.351 21.497 -1.150 3 3H GLY 1 HT3 GLY 1 -5.812 22.245 -1.561 4 1HA GLY 1 HA1 GLY 1 -4.735 19.657 -2.483 5 2HA GLY 1 HA2 GLY 1 -6.294 19.991 -1.742 6 H SER 2 HN SER 2 -6.637 18.545 -3.814 7 HA SER 2 HA SER 2 -7.913 20.264 -5.732 8 1HB SER 2 HB2 SER 2 -5.448 20.037 -6.459 9 2HB SER 2 HB1 SER 2 -5.860 18.371 -6.865 10 HG SER 2 HG SER 2 -7.303 20.606 -7.837 11 H HIS 3 HN HIS 3 -6.808 16.958 -5.057 12 HA HIS 3 HA HIS 3 -9.528 16.013 -5.626 13 1HB HIS 3 HB2 HIS 3 -7.298 15.511 -7.282 14 2HB HIS 3 HB1 HIS 3 -7.604 14.012 -6.410 15 HD2 HIS 3 HD2 HIS 3 -10.434 13.156 -6.710 16 HE1 HIS 3 HE1 HIS 3 -10.690 14.998 -10.525 17 HE2 HIS 3 HE2 HIS 3 -11.700 13.298 -8.962 18 H MET 4 HN MET 4 -10.242 14.352 -4.319 19 HA MET 4 HA MET 4 -8.341 13.388 -2.287 20 1HB MET 4 HB2 MET 4 -10.387 13.330 -0.740 21 2HB MET 4 HB1 MET 4 -9.650 14.890 -1.068 22 1HG MET 4 HG2 MET 4 -11.568 15.681 -1.823 23 2HG MET 4 HG1 MET 4 -11.671 14.391 -3.019 24 1HE MET 4 HE1 MET 4 -13.118 16.200 -0.521 25 2HE MET 4 HE2 MET 4 -14.221 15.216 0.440 26 3HE MET 4 HE3 MET 4 -14.606 15.588 -1.240 27 H GLN 5 HN GLN 5 -11.411 12.725 -3.952 28 HA GLN 5 HA GLN 5 -11.392 9.969 -3.102 29 1HB GLN 5 HB2 GLN 5 -13.408 9.759 -4.535 30 2HB GLN 5 HB1 GLN 5 -13.532 11.046 -3.343 31 1HG GLN 5 HG2 GLN 5 -12.520 12.362 -5.519 32 2HG GLN 5 HG1 GLN 5 -13.591 11.169 -6.255 33 1HE2 GLN 5 1HE2 GLN 5 -15.599 11.804 -6.520 34 2HE2 GLN 5 2HE2 GLN 5 -16.431 12.992 -5.581 35 H ALA 6 HN ALA 6 -9.842 8.729 -3.943 36 HA ALA 6 HA ALA 6 -8.759 9.076 -6.548 37 1HB ALA 6 HB1 ALA 6 -7.739 6.779 -6.050 38 2HB ALA 6 HB2 ALA 6 -8.488 6.940 -4.461 39 3HB ALA 6 HB3 ALA 6 -7.295 8.124 -4.998 40 H THR 7 HN THR 7 -8.981 7.795 -8.376 41 HA THR 7 HA THR 7 -11.413 6.132 -8.453 42 HB THR 7 HB THR 7 -11.184 6.851 -11.019 43 HG1 THR 7 HG1 THR 7 -10.237 9.145 -9.656 44 1HG2 THR 7 1HG2 THR 7 -12.407 8.589 -8.889 45 2HG2 THR 7 2HG2 THR 7 -13.187 7.260 -9.747 46 3HG2 THR 7 3HG2 THR 7 -12.725 8.723 -10.619 47 H TRP 8 HN TRP 8 -11.365 4.238 -9.677 48 HA TRP 8 HA TRP 8 -8.844 3.478 -10.925 49 1HB TRP 8 HB2 TRP 8 -10.148 1.895 -8.702 50 2HB TRP 8 HB1 TRP 8 -8.867 1.275 -9.742 51 HD1 TRP 8 HD1 TRP 8 -9.431 4.168 -7.232 52 HE1 TRP 8 HE1 TRP 8 -7.184 4.683 -6.093 53 HE3 TRP 8 HE3 TRP 8 -6.438 0.915 -9.816 54 HZ2 TRP 8 HZ2 TRP 8 -4.498 3.830 -6.264 55 HZ3 TRP 8 HZ3 TRP 8 -4.047 0.836 -9.266 56 HH2 TRP 8 HH2 TRP 8 -3.093 2.259 -7.528 57 H LYS 9 HN LYS 9 -9.024 1.397 -12.098 58 HA LYS 9 HA LYS 9 -11.721 0.603 -12.861 59 1HB LYS 9 HB2 LYS 9 -11.074 0.783 -15.304 60 2HB LYS 9 HB1 LYS 9 -11.371 2.309 -14.482 61 1HG LYS 9 HG2 LYS 9 -8.616 1.692 -14.208 62 2HG LYS 9 HG1 LYS 9 -9.063 1.481 -15.902 63 1HD LYS 9 HD2 LYS 9 -9.771 3.929 -14.298 64 2HD LYS 9 HD1 LYS 9 -8.296 3.791 -15.253 65 1HE LYS 9 HE2 LYS 9 -10.727 3.059 -16.705 66 2HE LYS 9 HE1 LYS 9 -10.694 4.737 -16.165 67 1HZ LYS 9 HZ1 LYS 9 -9.651 4.040 -18.439 68 2HZ LYS 9 HZ2 LYS 9 -8.314 3.641 -17.482 69 3HZ LYS 9 HZ3 LYS 9 -8.911 5.224 -17.481 70 H GLU 10 HN GLU 10 -9.210 -0.441 -11.547 71 HA GLU 10 HA GLU 10 -8.094 -2.375 -13.284 72 1HB GLU 10 HB2 GLU 10 -7.068 -3.287 -11.221 73 2HB GLU 10 HB1 GLU 10 -6.800 -1.567 -11.437 74 1HG GLU 10 HG2 GLU 10 -8.895 -1.327 -9.912 75 2HG GLU 10 HG1 GLU 10 -8.507 -2.980 -9.446 76 H LYS 11 HN LYS 11 -8.503 -4.477 -13.588 77 HA LYS 11 HA LYS 11 -11.116 -5.444 -13.118 78 1HB LYS 11 HB2 LYS 11 -10.248 -7.548 -14.116 79 2HB LYS 11 HB1 LYS 11 -9.860 -6.127 -15.071 80 1HG LYS 11 HG2 LYS 11 -7.603 -6.127 -14.263 81 2HG LYS 11 HG1 LYS 11 -7.959 -7.446 -13.151 82 1HD LYS 11 HD2 LYS 11 -8.764 -8.377 -15.655 83 2HD LYS 11 HD1 LYS 11 -7.241 -7.536 -15.951 84 1HE LYS 11 HE2 LYS 11 -6.727 -8.968 -13.658 85 2HE LYS 11 HE1 LYS 11 -7.759 -10.058 -14.581 86 1HZ LYS 11 HZ1 LYS 11 -6.263 -9.937 -16.424 87 2HZ LYS 11 HZ2 LYS 11 -5.367 -10.332 -15.046 88 3HZ LYS 11 HZ3 LYS 11 -5.318 -8.758 -15.661 89 H ASP 12 HN ASP 12 -10.390 -8.236 -12.481 90 HA ASP 12 HA ASP 12 -9.631 -7.952 -9.657 91 1HB ASP 12 HB2 ASP 12 -11.393 -9.675 -9.132 92 2HB ASP 12 HB1 ASP 12 -12.017 -8.106 -9.634 93 H GLY 13 HN GLY 13 -8.223 -8.958 -12.125 94 1HA GLY 13 HA2 GLY 13 -7.877 -11.787 -11.420 95 2HA GLY 13 HA1 GLY 13 -7.332 -11.024 -12.907 96 H ALA 14 HN ALA 14 -5.293 -12.111 -12.469 97 HA ALA 14 HA ALA 14 -3.743 -11.480 -10.174 98 1HB ALA 14 HB1 ALA 14 -2.465 -12.356 -12.715 99 2HB ALA 14 HB2 ALA 14 -3.556 -13.456 -11.874 100 3HB ALA 14 HB3 ALA 14 -2.122 -12.837 -11.054 101 H VAL 15 HN VAL 15 -1.280 -10.815 -10.962 102 HA VAL 15 HA VAL 15 -1.446 -7.985 -11.367 103 HB VAL 15 HB VAL 15 0.335 -8.953 -9.999 104 1HG1 VAL 15 1HG1 VAL 15 0.848 -10.988 -11.081 105 2HG1 VAL 15 2HG1 VAL 15 2.293 -9.984 -11.214 106 3HG1 VAL 15 3HG1 VAL 15 1.217 -10.169 -12.599 107 1HG2 VAL 15 1HG2 VAL 15 1.729 -7.268 -10.469 108 2HG2 VAL 15 2HG2 VAL 15 0.525 -6.833 -11.675 109 3HG2 VAL 15 3HG2 VAL 15 1.944 -7.769 -12.144 110 H GLU 16 HN GLU 16 -0.660 -6.754 -13.153 111 HA GLU 16 HA GLU 16 -0.080 -8.244 -15.587 112 1HB GLU 16 HB2 GLU 16 -2.312 -6.275 -15.231 113 2HB GLU 16 HB1 GLU 16 -1.501 -6.389 -16.780 114 1HG GLU 16 HG2 GLU 16 -2.001 -8.992 -16.291 115 2HG GLU 16 HG1 GLU 16 -3.364 -8.238 -15.466 116 H ALA 17 HN ALA 17 0.839 -6.846 -17.247 117 HA ALA 17 HA ALA 17 3.171 -5.817 -16.918 118 1HB ALA 17 HB1 ALA 17 1.977 -5.568 -19.045 119 2HB ALA 17 HB2 ALA 17 2.903 -4.125 -18.636 120 3HB ALA 17 HB3 ALA 17 1.154 -4.144 -18.409 121 H GLU 18 HN GLU 18 0.727 -3.194 -16.709 122 HA GLU 18 HA GLU 18 2.355 -2.082 -14.514 123 1HB GLU 18 HB2 GLU 18 1.464 0.164 -15.289 124 2HB GLU 18 HB1 GLU 18 2.632 -0.624 -16.339 125 1HG GLU 18 HG2 GLU 18 0.569 -1.531 -17.584 126 2HG GLU 18 HG1 GLU 18 -0.310 -0.267 -16.727 127 H ASP 19 HN ASP 19 0.886 -3.462 -13.173 128 HA ASP 19 HA ASP 19 -1.784 -2.324 -12.787 129 1HB ASP 19 HB2 ASP 19 -0.473 -4.848 -11.797 130 2HB ASP 19 HB1 ASP 19 -2.089 -4.341 -11.333 131 H ARG 20 HN ARG 20 -2.396 -2.858 -10.253 132 HA ARG 20 HA ARG 20 -0.385 -1.688 -8.495 133 1HB ARG 20 HB2 ARG 20 -2.371 -0.112 -9.569 134 2HB ARG 20 HB1 ARG 20 -3.055 -0.581 -8.021 135 1HG ARG 20 HG2 ARG 20 -1.823 0.942 -7.012 136 2HG ARG 20 HG1 ARG 20 -0.355 0.173 -7.597 137 1HD ARG 20 HD2 ARG 20 -0.258 1.541 -9.489 138 2HD ARG 20 HD1 ARG 20 -1.945 2.026 -9.336 139 HE ARG 20 HE ARG 20 -0.448 2.854 -7.076 140 1HH1 ARG 20 1HH1 ARG 20 -1.023 3.635 -10.426 141 2HH1 ARG 20 2HH1 ARG 20 -0.651 5.315 -10.229 142 1HH2 ARG 20 1HH2 ARG 20 0.045 5.058 -6.812 143 2HH2 ARG 20 2HH2 ARG 20 -0.043 6.124 -8.175 144 H VAL 21 HN VAL 21 -0.211 -3.072 -6.838 145 HA VAL 21 HA VAL 21 -2.448 -4.791 -6.086 146 HB VAL 21 HB VAL 21 -0.775 -5.965 -4.687 147 1HG1 VAL 21 1HG1 VAL 21 0.278 -7.117 -6.427 148 2HG1 VAL 21 2HG1 VAL 21 0.389 -5.672 -7.436 149 3HG1 VAL 21 3HG1 VAL 21 -1.174 -6.447 -7.177 150 1HG2 VAL 21 1HG2 VAL 21 1.123 -4.986 -4.102 151 2HG2 VAL 21 2HG2 VAL 21 0.674 -3.569 -5.047 152 3HG2 VAL 21 3HG2 VAL 21 1.612 -4.863 -5.791 153 H THR 22 HN THR 22 -2.679 -5.247 -3.678 154 HA THR 22 HA THR 22 -2.300 -2.789 -2.090 155 HB THR 22 HB THR 22 -4.640 -4.711 -2.039 156 HG1 THR 22 HG1 THR 22 -5.805 -2.822 -2.569 157 1HG2 THR 22 1HG2 THR 22 -3.619 -3.080 0.076 158 2HG2 THR 22 2HG2 THR 22 -5.028 -4.145 0.062 159 3HG2 THR 22 3HG2 THR 22 -5.188 -2.465 -0.452 160 H ILE 23 HN ILE 23 -0.722 -3.241 -0.631 161 HA ILE 23 HA ILE 23 -0.813 -5.898 0.641 162 HB ILE 23 HB ILE 23 1.583 -6.046 0.637 163 1HG1 ILE 23 2HG1 ILE 23 1.924 -3.512 0.715 164 2HG1 ILE 23 1HG1 ILE 23 3.067 -4.445 -0.237 165 1HG2 ILE 23 1HG2 ILE 23 0.794 -5.316 -2.163 166 2HG2 ILE 23 2HG2 ILE 23 0.213 -6.768 -1.359 167 3HG2 ILE 23 3HG2 ILE 23 1.941 -6.547 -1.633 168 1HD1 ILE 23 1HD1 ILE 23 2.555 -3.353 -2.083 169 2HD1 ILE 23 2HD1 ILE 23 1.670 -2.221 -1.062 170 3HD1 ILE 23 3HD1 ILE 23 0.824 -3.566 -1.826 171 H ASP 24 HN ASP 24 0.091 -6.097 2.713 172 HA ASP 24 HA ASP 24 0.351 -3.589 4.260 173 1HB ASP 24 HB2 ASP 24 -0.464 -5.019 6.217 174 2HB ASP 24 HB1 ASP 24 -1.680 -4.610 5.015 175 H PHE 25 HN PHE 25 2.392 -3.404 5.159 176 HA PHE 25 HA PHE 25 3.806 -5.882 5.832 177 1HB PHE 25 HB2 PHE 25 5.810 -5.255 4.669 178 2HB PHE 25 HB1 PHE 25 4.465 -5.206 3.535 179 HD1 PHE 25 HD1 PHE 25 4.072 -3.317 2.254 180 HD2 PHE 25 HD2 PHE 25 6.554 -3.032 5.707 181 HE1 PHE 25 HE1 PHE 25 4.625 -0.996 1.678 182 HE2 PHE 25 HE2 PHE 25 7.107 -0.696 5.117 183 HZ PHE 25 HZ PHE 25 6.129 0.312 3.094 184 H THR 26 HN THR 26 5.900 -5.473 6.945 185 HA THR 26 HA THR 26 6.065 -2.981 8.445 186 HB THR 26 HB THR 26 5.749 -5.642 9.845 187 HG1 THR 26 HG1 THR 26 3.719 -5.196 9.738 188 1HG2 THR 26 1HG2 THR 26 5.952 -4.573 11.884 189 2HG2 THR 26 2HG2 THR 26 5.700 -2.974 11.184 190 3HG2 THR 26 3HG2 THR 26 7.221 -3.824 10.914 191 H GLY 27 HN GLY 27 8.144 -2.413 8.316 192 1HA GLY 27 HA2 GLY 27 10.211 -4.272 9.093 193 2HA GLY 27 HA1 GLY 27 10.247 -3.853 7.393 194 H SER 28 HN SER 28 12.356 -3.329 9.108 195 HA SER 28 HA SER 28 12.242 -0.407 9.529 196 1HB SER 28 HB2 SER 28 14.602 -1.853 10.539 197 2HB SER 28 HB1 SER 28 13.551 -0.707 11.359 198 HG SER 28 HG SER 28 12.034 -2.440 11.595 199 H VAL 29 HN VAL 29 14.537 0.579 9.296 200 HA VAL 29 HA VAL 29 15.613 -0.285 6.716 201 HB VAL 29 HB VAL 29 14.728 1.851 6.344 202 1HG1 VAL 29 1HG1 VAL 29 16.097 3.472 8.305 203 2HG1 VAL 29 2HG1 VAL 29 15.049 2.278 9.065 204 3HG1 VAL 29 3HG1 VAL 29 14.387 3.406 7.886 205 1HG2 VAL 29 1HG2 VAL 29 17.206 3.176 6.705 206 2HG2 VAL 29 2HG2 VAL 29 16.531 2.484 5.230 207 3HG2 VAL 29 3HG2 VAL 29 17.547 1.499 6.278 208 H ASP 30 HN ASP 30 16.969 1.803 9.272 209 HA ASP 30 HA ASP 30 19.453 0.285 9.050 210 1HB ASP 30 HB2 ASP 30 19.164 2.924 9.054 211 2HB ASP 30 HB1 ASP 30 19.203 2.695 10.799 212 H GLY 31 HN GLY 31 17.206 -0.934 10.329 213 1HA GLY 31 HA2 GLY 31 17.270 -2.446 12.154 214 2HA GLY 31 HA1 GLY 31 18.404 -1.378 12.967 215 H GLU 32 HN GLU 32 16.237 0.736 11.894 216 HA GLU 32 HA GLU 32 14.337 0.338 14.102 217 1HB GLU 32 HB2 GLU 32 15.585 3.000 13.397 218 2HB GLU 32 HB1 GLU 32 14.485 2.665 14.728 219 1HG GLU 32 HG2 GLU 32 16.101 1.753 16.022 220 2HG GLU 32 HG1 GLU 32 16.994 1.108 14.645 221 H GLU 33 HN GLU 33 12.411 0.122 13.194 222 HA GLU 33 HA GLU 33 11.710 0.825 10.612 223 1HB GLU 33 HB2 GLU 33 9.379 0.419 11.337 224 2HB GLU 33 HB1 GLU 33 10.478 -0.859 11.826 225 1HG GLU 33 HG2 GLU 33 10.609 0.461 14.054 226 2HG GLU 33 HG1 GLU 33 9.110 1.204 13.492 227 H PHE 34 HN PHE 34 11.423 2.720 9.713 228 HA PHE 34 HA PHE 34 11.126 5.094 11.280 229 1HB PHE 34 HB2 PHE 34 11.578 6.257 9.266 230 2HB PHE 34 HB1 PHE 34 12.628 4.850 9.293 231 HD1 PHE 34 HD1 PHE 34 10.856 2.714 8.281 232 HD2 PHE 34 HD2 PHE 34 11.242 6.775 7.058 233 HE1 PHE 34 HE1 PHE 34 10.069 2.110 6.037 234 HE2 PHE 34 HE2 PHE 34 10.449 6.171 4.810 235 HZ PHE 34 HZ PHE 34 9.862 3.838 4.297 236 H GLU 35 HN GLU 35 9.660 6.199 8.803 237 HA GLU 35 HA GLU 35 7.079 6.323 10.010 238 1HB GLU 35 HB2 GLU 35 8.269 7.366 7.455 239 2HB GLU 35 HB1 GLU 35 6.533 7.447 7.724 240 1HG GLU 35 HG2 GLU 35 7.878 8.443 10.032 241 2HG GLU 35 HG1 GLU 35 8.525 9.233 8.595 242 H GLY 36 HN GLY 36 8.285 5.000 6.929 243 1HA GLY 36 HA2 GLY 36 5.823 3.566 6.451 244 2HA GLY 36 HA1 GLY 36 7.269 3.522 5.453 245 H GLY 37 HN GLY 37 7.929 2.960 8.738 246 1HA GLY 37 HA2 GLY 37 8.916 0.392 8.304 247 2HA GLY 37 HA1 GLY 37 8.583 1.099 9.875 248 H LYS 38 HN LYS 38 5.696 1.360 8.560 249 HA LYS 38 HA LYS 38 4.833 -1.389 8.652 250 1HB LYS 38 HB2 LYS 38 3.165 -0.969 10.452 251 2HB LYS 38 HB1 LYS 38 4.830 -0.925 11.012 252 1HG LYS 38 HG2 LYS 38 4.693 1.213 11.641 253 2HG LYS 38 HG1 LYS 38 3.781 1.680 10.204 254 1HD LYS 38 HD2 LYS 38 2.102 0.035 11.794 255 2HD LYS 38 HD1 LYS 38 2.838 1.238 12.856 256 1HE LYS 38 HE2 LYS 38 1.789 2.979 11.839 257 2HE LYS 38 HE1 LYS 38 1.794 2.201 10.258 258 1HZ LYS 38 HZ1 LYS 38 0.138 0.639 11.753 259 2HZ LYS 38 HZ2 LYS 38 -0.350 1.815 10.639 260 3HZ LYS 38 HZ3 LYS 38 -0.231 2.206 12.280 261 H ALA 39 HN ALA 39 3.355 -1.628 7.150 262 HA ALA 39 HA ALA 39 1.519 0.586 6.553 263 1HB ALA 39 HB1 ALA 39 1.841 -0.545 4.096 264 2HB ALA 39 HB2 ALA 39 3.475 -0.669 4.754 265 3HB ALA 39 HB3 ALA 39 2.682 0.902 4.655 266 H SER 40 HN SER 40 -0.536 -0.024 5.879 267 HA SER 40 HA SER 40 -1.140 -2.885 6.211 268 1HB SER 40 HB2 SER 40 -2.178 -0.669 7.585 269 2HB SER 40 HB1 SER 40 -3.456 -1.166 6.477 270 HG SER 40 HG SER 40 -3.126 -3.329 7.331 271 H ASP 41 HN ASP 41 -2.476 0.018 4.598 272 HA ASP 41 HA ASP 41 -3.357 -1.678 2.404 273 1HB ASP 41 HB2 ASP 41 -4.728 0.364 1.779 274 2HB ASP 41 HB1 ASP 41 -5.209 -0.434 3.275 275 H PHE 42 HN PHE 42 -0.969 -1.668 1.863 276 HA PHE 42 HA PHE 42 -0.003 0.872 0.828 277 1HB PHE 42 HB2 PHE 42 1.593 -0.587 2.020 278 2HB PHE 42 HB1 PHE 42 1.335 -1.842 0.818 279 HD1 PHE 42 HD1 PHE 42 3.650 -1.985 0.136 280 HD2 PHE 42 HD2 PHE 42 1.544 1.719 -0.047 281 HE1 PHE 42 HE1 PHE 42 5.441 -1.024 -1.243 282 HE2 PHE 42 HE2 PHE 42 3.343 2.677 -1.421 283 HZ PHE 42 HZ PHE 42 5.296 1.304 -2.019 284 H VAL 43 HN VAL 43 -0.611 1.499 -1.114 285 HA VAL 43 HA VAL 43 -1.496 -0.466 -3.059 286 HB VAL 43 HB VAL 43 -1.443 2.545 -3.275 287 1HG1 VAL 43 1HG1 VAL 43 -3.499 1.343 -4.810 288 2HG1 VAL 43 2HG1 VAL 43 -1.997 0.484 -5.161 289 3HG1 VAL 43 3HG1 VAL 43 -2.086 2.234 -5.377 290 1HG2 VAL 43 1HG2 VAL 43 -4.054 1.896 -2.954 291 2HG2 VAL 43 2HG2 VAL 43 -2.992 2.424 -1.647 292 3HG2 VAL 43 3HG2 VAL 43 -3.281 0.703 -1.908 293 H LEU 44 HN LEU 44 0.321 -1.459 -3.819 294 HA LEU 44 HA LEU 44 2.559 0.141 -4.742 295 1HB LEU 44 HB2 LEU 44 2.276 -2.445 -3.718 296 2HB LEU 44 HB1 LEU 44 2.718 -2.671 -5.400 297 HG LEU 44 HG LEU 44 4.279 -1.281 -3.241 298 1HD1 LEU 44 1HD1 LEU 44 4.478 -3.771 -4.793 299 2HD1 LEU 44 2HD1 LEU 44 5.045 -3.397 -3.163 300 3HD1 LEU 44 3HD1 LEU 44 5.978 -2.879 -4.565 301 1HD2 LEU 44 1HD2 LEU 44 4.272 -0.760 -6.129 302 2HD2 LEU 44 2HD2 LEU 44 5.861 -1.101 -5.445 303 3HD2 LEU 44 3HD2 LEU 44 4.888 0.220 -4.799 304 H ALA 45 HN ALA 45 2.993 0.623 -6.784 305 HA ALA 45 HA ALA 45 1.091 -0.249 -8.836 306 1HB ALA 45 HB1 ALA 45 1.654 2.201 -8.433 307 2HB ALA 45 HB2 ALA 45 1.734 1.629 -10.099 308 3HB ALA 45 HB3 ALA 45 3.217 1.852 -9.172 309 H MET 46 HN MET 46 1.713 -2.157 -9.684 310 HA MET 46 HA MET 46 4.401 -2.995 -9.890 311 1HB MET 46 HB2 MET 46 1.799 -4.106 -10.357 312 2HB MET 46 HB1 MET 46 2.853 -4.493 -11.712 313 1HG MET 46 HG2 MET 46 3.857 -4.889 -8.942 314 2HG MET 46 HG1 MET 46 2.721 -6.049 -9.618 315 1HE MET 46 HE1 MET 46 6.751 -5.557 -9.464 316 2HE MET 46 HE2 MET 46 5.837 -4.126 -9.925 317 3HE MET 46 HE3 MET 46 6.854 -4.939 -11.111 318 H GLY 47 HN GLY 47 5.497 -1.384 -10.999 319 1HA GLY 47 HA2 GLY 47 6.662 -1.070 -13.064 320 2HA GLY 47 HA1 GLY 47 5.214 -1.576 -13.920 321 H GLN 48 HN GLN 48 5.959 0.923 -11.503 322 HA GLN 48 HA GLN 48 4.918 2.943 -13.367 323 1HB GLN 48 HB2 GLN 48 3.467 2.103 -11.241 324 2HB GLN 48 HB1 GLN 48 4.406 3.382 -10.485 325 1HG GLN 48 HG2 GLN 48 3.392 4.336 -12.969 326 2HG GLN 48 HG1 GLN 48 2.076 3.603 -12.056 327 1HE2 GLN 48 1HE2 GLN 48 1.951 6.234 -12.548 328 2HE2 GLN 48 2HE2 GLN 48 2.248 7.145 -11.109 329 H GLY 49 HN GLY 49 6.273 2.843 -10.076 330 1HA GLY 49 HA2 GLY 49 8.161 4.951 -10.861 331 2HA GLY 49 HA1 GLY 49 7.720 4.530 -9.211 332 H ARG 50 HN ARG 50 9.190 3.031 -12.082 333 HA ARG 50 HA ARG 50 10.735 1.354 -12.257 334 1HB ARG 50 HB2 ARG 50 12.911 2.033 -11.575 335 2HB ARG 50 HB1 ARG 50 12.027 3.477 -12.031 336 1HG ARG 50 HG2 ARG 50 12.394 4.391 -10.053 337 2HG ARG 50 HG1 ARG 50 11.721 2.993 -9.220 338 1HD ARG 50 HD2 ARG 50 14.101 3.543 -8.647 339 2HD ARG 50 HD1 ARG 50 13.823 1.892 -9.190 340 HE ARG 50 HE ARG 50 15.141 4.024 -10.717 341 1HH1 ARG 50 1HH1 ARG 50 14.267 0.654 -10.395 342 2HH1 ARG 50 2HH1 ARG 50 15.351 0.134 -11.638 343 1HH2 ARG 50 1HH2 ARG 50 16.553 3.328 -12.356 344 2HH2 ARG 50 2HH2 ARG 50 16.641 1.645 -12.752 345 H MET 51 HN MET 51 9.168 -0.033 -10.981 346 HA MET 51 HA MET 51 9.375 -0.650 -8.312 347 1HB MET 51 HB2 MET 51 7.861 -1.636 -10.222 348 2HB MET 51 HB1 MET 51 9.098 -2.883 -10.287 349 1HG MET 51 HG2 MET 51 7.845 -3.894 -8.743 350 2HG MET 51 HG1 MET 51 8.623 -2.775 -7.625 351 1HE MET 51 HE1 MET 51 7.348 -0.447 -6.737 352 2HE MET 51 HE2 MET 51 5.924 0.132 -7.604 353 3HE MET 51 HE3 MET 51 7.452 -0.082 -8.459 354 H ILE 52 HN ILE 52 11.106 -1.092 -7.145 355 HA ILE 52 HA ILE 52 13.555 -2.036 -8.233 356 HB ILE 52 HB ILE 52 13.989 -2.513 -5.652 357 1HG1 ILE 52 2HG1 ILE 52 11.826 -0.408 -5.520 358 2HG1 ILE 52 1HG1 ILE 52 11.551 -2.101 -5.115 359 1HG2 ILE 52 1HG2 ILE 52 13.767 0.318 -6.644 360 2HG2 ILE 52 2HG2 ILE 52 15.027 -0.799 -7.171 361 3HG2 ILE 52 3HG2 ILE 52 14.911 -0.338 -5.473 362 1HD1 ILE 52 1HD1 ILE 52 12.765 -1.972 -3.185 363 2HD1 ILE 52 2HD1 ILE 52 12.104 -0.339 -3.268 364 3HD1 ILE 52 3HD1 ILE 52 13.767 -0.644 -3.772 365 HA PRO 53 HA PRO 53 13.264 -6.423 -8.118 366 1HB PRO 53 HB2 PRO 53 15.464 -7.157 -6.620 367 2HB PRO 53 HB1 PRO 53 15.514 -6.734 -8.336 368 1HG PRO 53 HG2 PRO 53 16.159 -5.056 -5.948 369 2HG PRO 53 HG1 PRO 53 16.987 -5.144 -7.514 370 1HD PRO 53 HD2 PRO 53 15.335 -3.120 -6.909 371 2HD PRO 53 HD1 PRO 53 15.425 -3.784 -8.555 372 H GLY 54 HN GLY 54 13.474 -4.639 -5.161 373 1HA GLY 54 HA2 GLY 54 12.994 -6.765 -3.344 374 2HA GLY 54 HA1 GLY 54 12.754 -5.054 -3.030 375 H PHE 55 HN PHE 55 10.778 -4.173 -4.400 376 HA PHE 55 HA PHE 55 8.511 -5.534 -3.373 377 1HB PHE 55 HB2 PHE 55 8.838 -3.145 -5.184 378 2HB PHE 55 HB1 PHE 55 7.259 -3.782 -4.761 379 HD1 PHE 55 HD1 PHE 55 6.765 -3.979 -2.184 380 HD2 PHE 55 HD2 PHE 55 9.802 -1.522 -3.886 381 HE1 PHE 55 HE1 PHE 55 6.777 -2.603 -0.162 382 HE2 PHE 55 HE2 PHE 55 9.819 -0.136 -1.855 383 HZ PHE 55 HZ PHE 55 8.306 -0.675 0.010 384 H GLU 56 HN GLU 56 9.838 -5.024 -6.599 385 HA GLU 56 HA GLU 56 7.872 -6.199 -8.136 386 1HB GLU 56 HB2 GLU 56 10.061 -5.009 -8.828 387 2HB GLU 56 HB1 GLU 56 10.789 -6.606 -8.726 388 1HG GLU 56 HG2 GLU 56 9.810 -7.322 -10.617 389 2HG GLU 56 HG1 GLU 56 8.313 -6.446 -10.301 390 H ASP 57 HN ASP 57 10.105 -7.687 -5.962 391 HA ASP 57 HA ASP 57 9.869 -10.318 -7.093 392 1HB ASP 57 HB2 ASP 57 11.905 -9.629 -5.902 393 2HB ASP 57 HB1 ASP 57 10.976 -9.444 -4.417 394 H GLY 58 HN GLY 58 9.154 -9.358 -3.727 395 1HA GLY 58 HA2 GLY 58 7.330 -11.458 -3.328 396 2HA GLY 58 HA1 GLY 58 7.493 -10.041 -2.301 397 H ILE 59 HN ILE 59 6.668 -7.989 -3.653 398 HA ILE 59 HA ILE 59 3.859 -8.399 -3.957 399 HB ILE 59 HB ILE 59 5.460 -5.877 -4.452 400 1HG1 ILE 59 2HG1 ILE 59 4.701 -5.515 -1.955 401 2HG1 ILE 59 1HG1 ILE 59 4.731 -7.262 -1.906 402 1HG2 ILE 59 1HG2 ILE 59 3.311 -4.874 -3.507 403 2HG2 ILE 59 2HG2 ILE 59 2.591 -6.462 -3.776 404 3HG2 ILE 59 3HG2 ILE 59 3.244 -5.546 -5.135 405 1HD1 ILE 59 1HD1 ILE 59 6.846 -5.546 -1.488 406 2HD1 ILE 59 2HD1 ILE 59 7.104 -6.184 -3.105 407 3HD1 ILE 59 3HD1 ILE 59 6.937 -7.286 -1.746 408 H LYS 60 HN LYS 60 5.269 -9.770 -5.754 409 HA LYS 60 HA LYS 60 5.549 -8.713 -8.359 410 1HB LYS 60 HB2 LYS 60 5.036 -11.408 -7.259 411 2HB LYS 60 HB1 LYS 60 4.405 -11.161 -8.880 412 1HG LYS 60 HG2 LYS 60 6.946 -10.111 -9.018 413 2HG LYS 60 HG1 LYS 60 7.135 -11.520 -7.980 414 1HD LYS 60 HD2 LYS 60 7.061 -12.852 -9.756 415 2HD LYS 60 HD1 LYS 60 5.460 -12.234 -10.171 416 1HE LYS 60 HE2 LYS 60 6.312 -10.642 -11.624 417 2HE LYS 60 HE1 LYS 60 7.901 -10.650 -10.863 418 1HZ LYS 60 HZ1 LYS 60 7.551 -13.202 -11.809 419 2HZ LYS 60 HZ2 LYS 60 8.522 -11.999 -12.495 420 3HZ LYS 60 HZ3 LYS 60 6.935 -12.213 -13.037 421 H GLY 61 HN GLY 61 2.811 -10.208 -6.784 422 1HA GLY 61 HA2 GLY 61 0.613 -9.119 -6.722 423 2HA GLY 61 HA1 GLY 61 0.929 -8.580 -8.369 424 H HIS 62 HN HIS 62 1.628 -11.672 -6.935 425 HA HIS 62 HA HIS 62 -0.337 -12.937 -8.747 426 1HB HIS 62 HB2 HIS 62 1.218 -14.812 -9.066 427 2HB HIS 62 HB1 HIS 62 1.900 -13.294 -9.632 428 HD2 HIS 62 HD2 HIS 62 2.786 -12.651 -6.270 429 HE1 HIS 62 HE1 HIS 62 5.569 -15.687 -7.275 430 HE2 HIS 62 HE2 HIS 62 5.068 -13.744 -5.752 431 H LYS 63 HN LYS 63 -0.220 -12.263 -5.741 432 HA LYS 63 HA LYS 63 -1.376 -14.801 -4.919 433 1HB LYS 63 HB2 LYS 63 0.924 -13.488 -3.476 434 2HB LYS 63 HB1 LYS 63 -0.113 -14.706 -2.747 435 1HG LYS 63 HG2 LYS 63 1.395 -15.199 -5.291 436 2HG LYS 63 HG1 LYS 63 2.081 -15.511 -3.695 437 1HD LYS 63 HD2 LYS 63 0.266 -17.049 -3.194 438 2HD LYS 63 HD1 LYS 63 -0.481 -16.704 -4.756 439 1HE LYS 63 HE2 LYS 63 1.340 -17.705 -5.929 440 2HE LYS 63 HE1 LYS 63 2.291 -17.837 -4.449 441 1HZ LYS 63 HZ1 LYS 63 1.302 -19.957 -5.085 442 2HZ LYS 63 HZ2 LYS 63 -0.247 -19.286 -4.985 443 3HZ LYS 63 HZ3 LYS 63 0.704 -19.429 -3.594 444 H ALA 64 HN ALA 64 -3.307 -13.528 -5.064 445 HA ALA 64 HA ALA 64 -3.787 -11.186 -3.607 446 1HB ALA 64 HB1 ALA 64 -5.185 -12.394 -5.457 447 2HB ALA 64 HB2 ALA 64 -5.982 -11.392 -4.244 448 3HB ALA 64 HB3 ALA 64 -5.979 -13.148 -4.074 449 H GLY 65 HN GLY 65 -3.034 -11.314 -1.476 450 1HA GLY 65 HA2 GLY 65 -3.892 -11.509 0.761 451 2HA GLY 65 HA1 GLY 65 -4.707 -12.987 0.278 452 H GLU 66 HN GLU 66 -1.335 -12.138 -0.348 453 HA GLU 66 HA GLU 66 -0.530 -14.583 1.045 454 1HB GLU 66 HB2 GLU 66 0.175 -13.652 -1.382 455 2HB GLU 66 HB1 GLU 66 1.479 -12.986 -0.417 456 1HG GLU 66 HG2 GLU 66 1.323 -15.574 0.473 457 2HG GLU 66 HG1 GLU 66 0.984 -15.723 -1.251 458 H GLU 67 HN GLU 67 1.629 -14.515 2.116 459 HA GLU 67 HA GLU 67 2.188 -12.000 3.505 460 1HB GLU 67 HB2 GLU 67 2.549 -13.381 5.621 461 2HB GLU 67 HB1 GLU 67 0.881 -13.101 5.142 462 1HG GLU 67 HG2 GLU 67 2.015 -15.545 4.031 463 2HG GLU 67 HG1 GLU 67 1.977 -15.516 5.793 464 H PHE 68 HN PHE 68 4.133 -11.617 2.564 465 HA PHE 68 HA PHE 68 6.218 -13.673 2.945 466 1HB PHE 68 HB2 PHE 68 7.155 -12.955 0.719 467 2HB PHE 68 HB1 PHE 68 5.616 -13.815 0.633 468 HD1 PHE 68 HD1 PHE 68 3.637 -12.742 -0.100 469 HD2 PHE 68 HD2 PHE 68 7.243 -10.545 0.370 470 HE1 PHE 68 HE1 PHE 68 2.629 -10.855 -1.289 471 HE2 PHE 68 HE2 PHE 68 6.241 -8.640 -0.835 472 HZ PHE 68 HZ PHE 68 3.923 -8.799 -1.668 473 H THR 69 HN THR 69 8.449 -12.747 2.652 474 HA THR 69 HA THR 69 8.574 -9.969 3.603 475 HB THR 69 HB THR 69 10.424 -12.184 4.491 476 HG1 THR 69 HG1 THR 69 8.633 -12.726 5.520 477 1HG2 THR 69 1HG2 THR 69 10.179 -9.312 5.168 478 2HG2 THR 69 2HG2 THR 69 11.614 -10.323 5.005 479 3HG2 THR 69 3HG2 THR 69 10.610 -10.441 6.450 480 H ILE 70 HN ILE 70 9.835 -8.647 2.379 481 HA ILE 70 HA ILE 70 11.991 -9.935 0.843 482 HB ILE 70 HB ILE 70 11.488 -8.719 -1.149 483 1HG1 ILE 70 2HG1 ILE 70 10.577 -6.678 -0.008 484 2HG1 ILE 70 1HG1 ILE 70 9.643 -7.199 -1.404 485 1HG2 ILE 70 1HG2 ILE 70 9.945 -10.167 -1.857 486 2HG2 ILE 70 2HG2 ILE 70 8.755 -9.645 -0.664 487 3HG2 ILE 70 3HG2 ILE 70 10.011 -10.798 -0.211 488 1HD1 ILE 70 1HD1 ILE 70 8.885 -7.005 1.406 489 2HD1 ILE 70 2HD1 ILE 70 8.364 -8.493 0.612 490 3HD1 ILE 70 3HD1 ILE 70 7.895 -6.925 -0.052 491 H ASP 71 HN ASP 71 13.495 -8.290 -0.114 492 HA ASP 71 HA ASP 71 14.093 -6.293 1.935 493 1HB ASP 71 HB2 ASP 71 15.665 -7.851 -0.028 494 2HB ASP 71 HB1 ASP 71 16.175 -6.178 0.162 495 H VAL 72 HN VAL 72 14.391 -4.077 1.369 496 HA VAL 72 HA VAL 72 13.730 -3.323 -1.369 497 HB VAL 72 HB VAL 72 12.209 -1.474 -0.374 498 1HG1 VAL 72 1HG1 VAL 72 10.241 -2.843 -0.713 499 2HG1 VAL 72 2HG1 VAL 72 11.202 -4.311 -0.532 500 3HG1 VAL 72 3HG1 VAL 72 11.478 -3.242 -1.908 501 1HG2 VAL 72 1HG2 VAL 72 12.426 -1.736 1.925 502 2HG2 VAL 72 2HG2 VAL 72 12.270 -3.491 1.840 503 3HG2 VAL 72 3HG2 VAL 72 10.867 -2.467 1.562 504 H THR 73 HN THR 73 14.902 -1.619 -2.054 505 HA THR 73 HA THR 73 15.853 0.356 -0.182 506 HB THR 73 HB THR 73 17.696 -1.499 -1.700 507 HG1 THR 73 HG1 THR 73 17.179 -2.071 0.440 508 1HG2 THR 73 1HG2 THR 73 18.998 0.258 -2.148 509 2HG2 THR 73 2HG2 THR 73 19.381 0.207 -0.426 510 3HG2 THR 73 3HG2 THR 73 18.138 1.309 -1.021 511 H PHE 74 HN PHE 74 15.534 2.265 -1.172 512 HA PHE 74 HA PHE 74 14.985 2.285 -3.997 513 1HB PHE 74 HB2 PHE 74 14.810 4.380 -1.849 514 2HB PHE 74 HB1 PHE 74 14.441 4.704 -3.542 515 HD1 PHE 74 HD1 PHE 74 13.600 2.082 -1.001 516 HD2 PHE 74 HD2 PHE 74 12.237 4.670 -4.079 517 HE1 PHE 74 HE1 PHE 74 11.306 1.245 -0.686 518 HE2 PHE 74 HE2 PHE 74 9.939 3.844 -3.775 519 HZ PHE 74 HZ PHE 74 9.472 2.134 -2.071 520 HA PRO 75 HA PRO 75 19.078 3.482 -5.209 521 1HB PRO 75 HB2 PRO 75 18.466 4.432 -7.689 522 2HB PRO 75 HB1 PRO 75 18.587 2.712 -7.305 523 1HG PRO 75 HG2 PRO 75 16.150 4.434 -7.539 524 2HG PRO 75 HG1 PRO 75 16.416 2.780 -8.122 525 1HD PRO 75 HD2 PRO 75 15.039 3.305 -5.865 526 2HD PRO 75 HD1 PRO 75 16.040 1.851 -6.050 527 H GLU 76 HN GLU 76 20.052 5.439 -6.474 528 HA GLU 76 HA GLU 76 19.462 7.777 -4.922 529 1HB GLU 76 HB2 GLU 76 21.387 7.423 -7.224 530 2HB GLU 76 HB1 GLU 76 21.352 8.781 -6.107 531 1HG GLU 76 HG2 GLU 76 22.557 7.691 -4.595 532 2HG GLU 76 HG1 GLU 76 21.550 6.249 -4.719 533 H GLU 77 HN GLU 77 18.324 6.541 -7.874 534 HA GLU 77 HA GLU 77 17.753 9.125 -9.050 535 1HB GLU 77 HB2 GLU 77 16.685 7.800 -10.854 536 2HB GLU 77 HB1 GLU 77 18.358 7.348 -10.557 537 1HG GLU 77 HG2 GLU 77 16.993 5.626 -8.929 538 2HG GLU 77 HG1 GLU 77 15.915 5.780 -10.315 539 H TYR 78 HN TYR 78 16.053 6.626 -7.265 540 HA TYR 78 HA TYR 78 13.419 7.531 -7.772 541 1HB TYR 78 HB2 TYR 78 14.234 5.300 -6.722 542 2HB TYR 78 HB1 TYR 78 14.234 6.186 -5.205 543 HD1 TYR 78 HD1 TYR 78 12.334 4.207 -7.379 544 HD2 TYR 78 HD2 TYR 78 11.974 7.439 -4.629 545 HE1 TYR 78 HE1 TYR 78 9.938 3.733 -7.137 546 HE2 TYR 78 HE2 TYR 78 9.573 6.978 -4.393 547 HH TYR 78 HH TYR 78 8.124 4.111 -5.613 548 H HIS 79 HN HIS 79 15.144 7.733 -4.684 549 HA HIS 79 HA HIS 79 14.823 9.136 -2.922 550 1HB HIS 79 HB2 HIS 79 15.733 10.807 -5.224 551 2HB HIS 79 HB1 HIS 79 15.503 11.526 -3.630 552 HD2 HIS 79 HD2 HIS 79 16.861 7.987 -3.329 553 HE1 HIS 79 HE1 HIS 79 20.206 10.595 -3.100 554 HE2 HIS 79 HE2 HIS 79 19.399 8.218 -2.874 555 H ALA 80 HN ALA 80 12.484 8.747 -2.751 556 HA ALA 80 HA ALA 80 10.706 10.780 -3.788 557 1HB ALA 80 HB1 ALA 80 9.138 9.230 -3.497 558 2HB ALA 80 HB2 ALA 80 9.509 9.100 -1.778 559 3HB ALA 80 HB3 ALA 80 10.403 8.131 -2.949 560 H GLU 81 HN GLU 81 9.586 12.288 -2.560 561 HA GLU 81 HA GLU 81 10.929 13.685 -0.632 562 1HB GLU 81 HB2 GLU 81 8.393 13.810 -1.875 563 2HB GLU 81 HB1 GLU 81 8.123 13.990 -0.148 564 1HG GLU 81 HG2 GLU 81 8.816 16.083 -0.211 565 2HG GLU 81 HG1 GLU 81 10.353 15.595 -0.924 566 H ASN 82 HN ASN 82 8.816 10.919 -0.105 567 HA ASN 82 HA ASN 82 8.861 11.378 2.772 568 1HB ASN 82 HB2 ASN 82 7.339 9.338 2.789 569 2HB ASN 82 HB1 ASN 82 6.722 10.794 2.016 570 1HD2 ASN 82 1HD2 ASN 82 8.409 7.771 1.309 571 2HD2 ASN 82 2HD2 ASN 82 7.700 7.529 -0.246 572 H LEU 83 HN LEU 83 10.155 8.997 0.474 573 HA LEU 83 HA LEU 83 11.689 7.887 2.722 574 1HB LEU 83 HB2 LEU 83 11.198 5.685 2.226 575 2HB LEU 83 HB1 LEU 83 9.665 6.505 2.059 576 HG LEU 83 HG LEU 83 9.551 5.180 0.221 577 1HD1 LEU 83 1HD1 LEU 83 10.030 7.734 -0.476 578 2HD1 LEU 83 2HD1 LEU 83 9.615 6.458 -1.611 579 3HD1 LEU 83 3HD1 LEU 83 11.302 6.914 -1.380 580 1HD2 LEU 83 1HD2 LEU 83 11.615 4.018 0.655 581 2HD2 LEU 83 2HD2 LEU 83 12.535 5.344 -0.059 582 3HD2 LEU 83 3HD2 LEU 83 11.453 4.391 -1.054 583 H LYS 84 HN LYS 84 12.253 9.631 0.275 584 HA LYS 84 HA LYS 84 13.713 8.623 -1.697 585 1HB LYS 84 HB2 LYS 84 15.303 10.538 -1.473 586 2HB LYS 84 HB1 LYS 84 13.608 10.990 -1.433 587 1HG LYS 84 HG2 LYS 84 13.858 11.961 0.543 588 2HG LYS 84 HG1 LYS 84 14.543 10.486 1.230 589 1HD LYS 84 HD2 LYS 84 16.631 11.384 -0.249 590 2HD LYS 84 HD1 LYS 84 15.878 12.909 0.225 591 1HE LYS 84 HE2 LYS 84 16.278 12.570 2.458 592 2HE LYS 84 HE1 LYS 84 16.291 10.815 2.299 593 1HZ LYS 84 HZ1 LYS 84 18.426 11.324 0.902 594 2HZ LYS 84 HZ2 LYS 84 18.498 11.232 2.589 595 3HZ LYS 84 HZ3 LYS 84 18.446 12.742 1.828 596 H GLY 85 HN GLY 85 15.329 7.305 -2.052 597 1HA GLY 85 HA2 GLY 85 17.047 5.835 -1.661 598 2HA GLY 85 HA1 GLY 85 17.778 7.194 -0.824 599 H LYS 86 HN LYS 86 15.049 5.001 -0.102 600 HA LYS 86 HA LYS 86 16.128 4.727 2.603 601 1HB LYS 86 HB2 LYS 86 13.774 5.414 2.381 602 2HB LYS 86 HB1 LYS 86 13.428 3.912 1.537 603 1HG LYS 86 HG2 LYS 86 14.599 3.011 3.829 604 2HG LYS 86 HG1 LYS 86 13.728 4.438 4.394 605 1HD LYS 86 HD2 LYS 86 12.177 2.699 4.610 606 2HD LYS 86 HD1 LYS 86 11.726 3.490 3.098 607 1HE LYS 86 HE2 LYS 86 13.690 1.338 2.795 608 2HE LYS 86 HE1 LYS 86 12.128 0.808 3.414 609 1HZ LYS 86 HZ1 LYS 86 11.115 2.041 1.505 610 2HZ LYS 86 HZ2 LYS 86 12.029 0.685 1.071 611 3HZ LYS 86 HZ3 LYS 86 12.673 2.236 0.873 612 H ALA 87 HN ALA 87 17.709 3.183 2.445 613 HA ALA 87 HA ALA 87 17.169 0.651 1.133 614 1HB ALA 87 HB1 ALA 87 19.545 1.469 2.812 615 2HB ALA 87 HB2 ALA 87 19.429 1.665 1.064 616 3HB ALA 87 HB3 ALA 87 19.432 0.049 1.772 617 H ALA 88 HN ALA 88 15.487 -0.295 2.285 618 HA ALA 88 HA ALA 88 16.121 -0.981 5.073 619 1HB ALA 88 HB1 ALA 88 14.332 0.852 4.598 620 2HB ALA 88 HB2 ALA 88 14.051 -0.359 5.846 621 3HB ALA 88 HB3 ALA 88 13.294 -0.532 4.262 622 H LYS 89 HN LYS 89 14.211 -2.476 5.837 623 HA LYS 89 HA LYS 89 14.011 -4.771 3.993 624 1HB LYS 89 HB2 LYS 89 14.577 -4.752 6.969 625 2HB LYS 89 HB1 LYS 89 14.105 -6.198 6.087 626 1HG LYS 89 HG2 LYS 89 16.351 -6.464 6.034 627 2HG LYS 89 HG1 LYS 89 16.162 -5.492 4.574 628 1HD LYS 89 HD2 LYS 89 17.955 -4.543 5.806 629 2HD LYS 89 HD1 LYS 89 16.573 -3.463 6.003 630 1HE LYS 89 HE2 LYS 89 17.634 -3.730 8.133 631 2HE LYS 89 HE1 LYS 89 16.090 -4.579 8.172 632 1HZ LYS 89 HZ1 LYS 89 18.736 -5.607 8.506 633 2HZ LYS 89 HZ2 LYS 89 17.875 -6.467 7.331 634 3HZ LYS 89 HZ3 LYS 89 17.251 -6.315 8.895 635 H PHE 90 HN PHE 90 11.950 -5.732 3.924 636 HA PHE 90 HA PHE 90 9.944 -4.735 5.828 637 1HB PHE 90 HB2 PHE 90 9.535 -4.838 2.837 638 2HB PHE 90 HB1 PHE 90 8.261 -4.572 4.017 639 HD1 PHE 90 HD1 PHE 90 8.307 -2.807 1.968 640 HD2 PHE 90 HD2 PHE 90 10.788 -2.777 5.399 641 HE1 PHE 90 HE1 PHE 90 8.584 -0.358 1.743 642 HE2 PHE 90 HE2 PHE 90 11.086 -0.344 5.196 643 HZ PHE 90 HZ PHE 90 9.977 0.872 3.357 644 H ALA 91 HN ALA 91 8.099 -6.101 6.093 645 HA ALA 91 HA ALA 91 8.281 -8.731 4.818 646 1HB ALA 91 HB1 ALA 91 7.654 -9.805 6.825 647 2HB ALA 91 HB2 ALA 91 7.182 -8.286 7.586 648 3HB ALA 91 HB3 ALA 91 8.888 -8.647 7.325 649 H ILE 92 HN ILE 92 6.740 -8.507 3.334 650 HA ILE 92 HA ILE 92 4.341 -6.984 3.977 651 HB ILE 92 HB ILE 92 5.219 -7.973 1.276 652 1HG1 ILE 92 2HG1 ILE 92 6.093 -5.578 2.850 653 2HG1 ILE 92 1HG1 ILE 92 7.041 -6.670 1.879 654 1HG2 ILE 92 1HG2 ILE 92 3.220 -5.952 2.214 655 2HG2 ILE 92 2HG2 ILE 92 2.983 -7.352 1.164 656 3HG2 ILE 92 3HG2 ILE 92 3.859 -5.942 0.571 657 1HD1 ILE 92 1HD1 ILE 92 5.838 -4.158 1.180 658 2HD1 ILE 92 2HD1 ILE 92 5.328 -5.433 0.073 659 3HD1 ILE 92 3HD1 ILE 92 7.045 -5.106 0.315 660 H ASN 93 HN ASN 93 2.318 -7.565 3.024 661 HA ASN 93 HA ASN 93 1.840 -10.422 2.646 662 1HB ASN 93 HB2 ASN 93 -0.003 -8.710 4.312 663 2HB ASN 93 HB1 ASN 93 -0.054 -10.455 4.103 664 1HD2 ASN 93 1HD2 ASN 93 0.875 -8.000 6.109 665 2HD2 ASN 93 2HD2 ASN 93 1.991 -8.860 7.106 666 H LEU 94 HN LEU 94 1.264 -10.404 0.544 667 HA LEU 94 HA LEU 94 0.023 -8.246 -0.760 668 1HB LEU 94 HB2 LEU 94 1.372 -10.189 -1.743 669 2HB LEU 94 HB1 LEU 94 -0.135 -11.077 -1.727 670 HG LEU 94 HG LEU 94 -1.116 -9.242 -3.143 671 1HD1 LEU 94 1HD1 LEU 94 1.518 -8.135 -2.648 672 2HD1 LEU 94 2HD1 LEU 94 0.061 -7.357 -3.270 673 3HD1 LEU 94 3HD1 LEU 94 1.140 -8.216 -4.369 674 1HD2 LEU 94 1HD2 LEU 94 1.090 -10.200 -4.791 675 2HD2 LEU 94 2HD2 LEU 94 -0.644 -10.489 -4.933 676 3HD2 LEU 94 3HD2 LEU 94 0.325 -11.470 -3.835 677 H LYS 95 HN LYS 95 -2.056 -8.087 -1.725 678 HA LYS 95 HA LYS 95 -4.133 -9.851 -0.740 679 1HB LYS 95 HB2 LYS 95 -3.911 -6.965 0.050 680 2HB LYS 95 HB1 LYS 95 -5.483 -7.742 -0.061 681 1HG LYS 95 HG2 LYS 95 -4.996 -9.235 1.673 682 2HG LYS 95 HG1 LYS 95 -3.265 -8.902 1.589 683 1HD LYS 95 HD2 LYS 95 -3.672 -7.542 3.332 684 2HD LYS 95 HD1 LYS 95 -4.257 -6.424 2.099 685 1HE LYS 95 HE2 LYS 95 -6.065 -8.450 3.378 686 2HE LYS 95 HE1 LYS 95 -5.758 -6.883 4.126 687 1HZ LYS 95 HZ1 LYS 95 -7.058 -5.851 2.655 688 2HZ LYS 95 HZ2 LYS 95 -7.684 -7.382 2.307 689 3HZ LYS 95 HZ3 LYS 95 -6.463 -6.728 1.337 690 H LYS 96 HN LYS 96 -5.170 -6.735 -1.698 691 HA LYS 96 HA LYS 96 -6.442 -7.827 -3.998 692 1HB LYS 96 HB2 LYS 96 -6.518 -5.314 -2.506 693 2HB LYS 96 HB1 LYS 96 -6.778 -5.115 -4.232 694 1HG LYS 96 HG2 LYS 96 -8.315 -7.064 -2.537 695 2HG LYS 96 HG1 LYS 96 -8.846 -5.413 -2.868 696 1HD LYS 96 HD2 LYS 96 -9.911 -6.414 -4.593 697 2HD LYS 96 HD1 LYS 96 -8.339 -6.231 -5.372 698 1HE LYS 96 HE2 LYS 96 -8.358 -8.636 -3.823 699 2HE LYS 96 HE1 LYS 96 -9.774 -8.609 -4.870 700 1HZ LYS 96 HZ1 LYS 96 -7.544 -7.754 -6.344 701 2HZ LYS 96 HZ2 LYS 96 -8.491 -9.136 -6.576 702 3HZ LYS 96 HZ3 LYS 96 -7.138 -9.197 -5.562 703 H VAL 97 HN VAL 97 -5.188 -8.372 -5.691 704 HA VAL 97 HA VAL 97 -3.384 -6.344 -6.806 705 HB VAL 97 HB VAL 97 -2.101 -8.275 -6.312 706 1HG1 VAL 97 1HG1 VAL 97 -3.161 -10.203 -5.947 707 2HG1 VAL 97 2HG1 VAL 97 -3.165 -10.442 -7.692 708 3HG1 VAL 97 3HG1 VAL 97 -4.551 -9.695 -6.904 709 1HG2 VAL 97 1HG2 VAL 97 -2.429 -7.408 -8.935 710 2HG2 VAL 97 2HG2 VAL 97 -2.429 -9.168 -9.046 711 3HG2 VAL 97 3HG2 VAL 97 -1.073 -8.332 -8.290 712 H GLU 98 HN GLU 98 -4.532 -5.242 -8.318 713 HA GLU 98 HA GLU 98 -6.143 -6.821 -10.220 714 1HB GLU 98 HB2 GLU 98 -6.655 -3.974 -9.361 715 2HB GLU 98 HB1 GLU 98 -7.676 -4.961 -10.398 716 1HG GLU 98 HG2 GLU 98 -8.641 -6.000 -8.664 717 2HG GLU 98 HG1 GLU 98 -7.123 -6.143 -7.780 718 H GLU 99 HN GLU 99 -6.684 -4.984 -12.149 719 HA GLU 99 HA GLU 99 -4.007 -4.258 -13.135 720 1HB GLU 99 HB2 GLU 99 -5.304 -6.103 -14.337 721 2HB GLU 99 HB1 GLU 99 -6.381 -4.828 -14.887 722 1HG GLU 99 HG2 GLU 99 -3.538 -4.299 -15.342 723 2HG GLU 99 HG1 GLU 99 -4.184 -5.683 -16.220 724 H ARG 100 HN ARG 100 -4.036 -2.171 -12.301 725 HA ARG 100 HA ARG 100 -6.135 -0.314 -12.822 726 1HB ARG 100 HB2 ARG 100 -4.582 1.365 -11.969 727 2HB ARG 100 HB1 ARG 100 -4.587 -0.056 -10.933 728 1HG ARG 100 HG2 ARG 100 -2.424 -0.457 -11.290 729 2HG ARG 100 HG1 ARG 100 -2.574 -0.201 -13.024 730 1HD ARG 100 HD2 ARG 100 -2.773 2.223 -11.366 731 2HD ARG 100 HD1 ARG 100 -1.200 1.431 -11.362 732 HE ARG 100 HE ARG 100 -2.541 2.641 -13.662 733 1HH1 ARG 100 1HH1 ARG 100 0.249 0.986 -12.358 734 2HH1 ARG 100 2HH1 ARG 100 1.251 1.354 -13.719 735 1HH2 ARG 100 1HH2 ARG 100 -1.221 3.113 -15.447 736 2HH2 ARG 100 2HH2 ARG 100 0.419 2.558 -15.472 737 H GLU 101 HN GLU 101 -6.065 1.523 -14.208 738 HA GLU 101 HA GLU 101 -4.045 1.906 -16.160 739 1HB GLU 101 HB2 GLU 101 -5.093 -0.175 -17.043 740 2HB GLU 101 HB1 GLU 101 -6.617 0.689 -17.180 741 1HG GLU 101 HG2 GLU 101 -4.889 2.318 -18.539 742 2HG GLU 101 HG1 GLU 101 -4.287 0.708 -18.924 743 H LEU 102 HN LEU 102 -4.734 3.837 -14.724 744 HA LEU 102 HA LEU 102 -7.117 5.229 -15.461 745 1HB LEU 102 HB2 LEU 102 -4.686 5.950 -13.858 746 2HB LEU 102 HB1 LEU 102 -5.918 7.141 -14.225 747 HG LEU 102 HG LEU 102 -7.569 5.942 -12.979 748 1HD1 LEU 102 1HD1 LEU 102 -7.031 3.805 -11.847 749 2HD1 LEU 102 2HD1 LEU 102 -5.508 3.754 -12.735 750 3HD1 LEU 102 3HD1 LEU 102 -7.041 3.679 -13.605 751 1HD2 LEU 102 1HD2 LEU 102 -6.524 5.854 -10.738 752 2HD2 LEU 102 2HD2 LEU 102 -6.127 7.322 -11.634 753 3HD2 LEU 102 3HD2 LEU 102 -4.944 6.021 -11.504 754 HA PRO 103 HA PRO 103 -4.136 8.106 -17.925 755 1HB PRO 103 HB2 PRO 103 -1.613 7.236 -18.398 756 2HB PRO 103 HB1 PRO 103 -2.047 8.181 -16.969 757 1HG PRO 103 HG2 PRO 103 -1.674 5.224 -17.243 758 2HG PRO 103 HG1 PRO 103 -1.118 6.307 -15.954 759 1HD PRO 103 HD2 PRO 103 -3.320 4.754 -15.706 760 2HD PRO 103 HD1 PRO 103 -3.174 6.337 -14.920 761 H GLU 104 HN GLU 104 -4.895 7.949 -19.929 762 HA GLU 104 HA GLU 104 -4.626 5.423 -21.385 763 1HB GLU 104 HB2 GLU 104 -6.250 7.848 -22.163 764 2HB GLU 104 HB1 GLU 104 -6.366 6.227 -22.836 765 1HG GLU 104 HG2 GLU 104 -6.834 5.763 -20.194 766 2HG GLU 104 HG1 GLU 104 -7.560 7.354 -20.420 767 H LEU 105 HN LEU 105 -4.415 8.901 -22.154 768 HA LEU 105 HA LEU 105 -2.593 8.300 -24.346 769 1HB LEU 105 HB2 LEU 105 -4.540 10.296 -23.828 770 2HB LEU 105 HB1 LEU 105 -2.992 11.108 -23.974 771 HG LEU 105 HG LEU 105 -4.160 11.031 -26.116 772 1HD1 LEU 105 1HD1 LEU 105 -2.361 10.108 -27.464 773 2HD1 LEU 105 2HD1 LEU 105 -1.739 9.237 -26.063 774 3HD1 LEU 105 3HD1 LEU 105 -1.715 10.999 -26.086 775 1HD2 LEU 105 1HD2 LEU 105 -5.355 9.255 -26.692 776 2HD2 LEU 105 2HD2 LEU 105 -4.729 8.352 -25.313 777 3HD2 LEU 105 3HD2 LEU 105 -3.869 8.319 -26.851 778 H THR 106 HN THR 106 -0.714 7.697 -23.232 779 HA THR 106 HA THR 106 0.622 9.893 -21.787 780 HB THR 106 HB THR 106 1.474 7.064 -21.381 781 HG1 THR 106 HG1 THR 106 -0.117 6.764 -19.837 782 1HG2 THR 106 1HG2 THR 106 2.053 9.539 -20.177 783 2HG2 THR 106 2HG2 THR 106 2.633 7.937 -19.721 784 3HG2 THR 106 3HG2 THR 106 1.161 8.582 -18.995
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