![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
15811 |
1yza ![]() ![]() |
6553 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 -16.733 -21.092 -1.632 2 2H ALA 1 2HT ALA 1 -17.701 -21.034 -3.026 3 3H ALA 1 3HT ALA 1 -16.668 -22.356 -2.760 4 HA ALA 1 HA ALA 1 -19.224 -21.699 -1.463 5 1HB ALA 1 1HB ALA 1 -17.961 -24.251 -2.509 6 2HB ALA 1 2HB ALA 1 -19.181 -23.287 -3.342 7 3HB ALA 1 3HB ALA 1 -19.588 -24.119 -1.842 8 H ASP 2 H ASP 2 -16.505 -21.333 -0.212 9 HA ASP 2 HA ASP 2 -16.247 -23.462 1.721 10 1HB ASP 2 2HB ASP 2 -14.664 -21.626 2.781 11 2HB ASP 2 1HB ASP 2 -14.185 -22.469 1.312 12 H LEU 3 H LEU 3 -16.143 -22.833 4.095 13 HA LEU 3 HA LEU 3 -18.019 -20.775 4.941 14 1HB LEU 3 2HB LEU 3 -19.348 -22.424 6.283 15 2HB LEU 3 1HB LEU 3 -19.594 -22.551 4.544 16 HG LEU 3 HG LEU 3 -17.422 -24.248 5.745 17 1HD1 LEU 3 1HD1 LEU 3 -19.207 -24.616 7.350 18 2HD1 LEU 3 2HD1 LEU 3 -19.103 -26.020 6.288 19 3HD1 LEU 3 3HD1 LEU 3 -20.381 -24.828 6.052 20 1HD2 LEU 3 1HD2 LEU 3 -18.302 -25.864 4.054 21 2HD2 LEU 3 2HD2 LEU 3 -17.830 -24.330 3.328 22 3HD2 LEU 3 3HD2 LEU 3 -19.534 -24.687 3.603 23 H GLU 4 H GLU 4 -15.143 -21.907 5.211 24 HA GLU 4 HA GLU 4 -14.962 -21.436 8.116 25 1HB GLU 4 2HB GLU 4 -13.167 -23.341 8.085 26 2HB GLU 4 1HB GLU 4 -14.873 -23.771 8.193 27 1HG GLU 4 2HG GLU 4 -13.663 -25.137 6.503 28 2HG GLU 4 1HG GLU 4 -14.966 -24.190 5.791 29 H ASP 5 H ASP 5 -14.392 -19.449 6.523 30 HA ASP 5 HA ASP 5 -11.494 -19.190 6.724 31 1HB ASP 5 2HB ASP 5 -12.961 -18.892 4.093 32 2HB ASP 5 1HB ASP 5 -11.306 -18.359 4.380 33 H ASN 6 H ASN 6 -12.426 -17.761 8.410 34 HA ASN 6 HA ASN 6 -12.613 -15.048 7.400 35 1HB ASN 6 2HB ASN 6 -14.885 -16.154 9.062 36 2HB ASN 6 1HB ASN 6 -14.743 -14.523 8.406 37 1HD2 ASN 6 1HD2 ASN 6 -15.611 -17.832 7.639 38 2HD2 ASN 6 2HD2 ASN 6 -16.089 -17.536 6.038 39 H ASP 7 H ASP 7 -10.529 -15.449 8.663 40 HA ASP 7 HA ASP 7 -9.244 -15.066 10.528 41 1HB ASP 7 2HB ASP 7 -11.695 -13.579 11.496 42 2HB ASP 7 1HB ASP 7 -10.039 -13.359 12.060 43 H GLU 8 H GLU 8 -10.413 -17.540 10.512 44 HA GLU 8 HA GLU 8 -11.865 -18.124 12.902 45 1HB GLU 8 2HB GLU 8 -10.299 -19.885 11.004 46 2HB GLU 8 1HB GLU 8 -11.272 -20.497 12.343 47 1HG GLU 8 2HG GLU 8 -13.258 -19.334 11.387 48 2HG GLU 8 1HG GLU 8 -12.273 -18.833 10.014 49 H THR 9 H THR 9 -8.877 -19.826 12.204 50 HA THR 9 HA THR 9 -7.440 -18.664 14.430 51 HB THR 9 HB THR 9 -8.894 -20.165 15.667 52 HG1 THR 9 1HG THR 9 -7.280 -21.411 16.610 53 1HG2 THR 9 1HG2 THR 9 -9.022 -22.534 15.178 54 2HG2 THR 9 2HG2 THR 9 -7.823 -22.375 13.894 55 3HG2 THR 9 3HG2 THR 9 -9.417 -21.642 13.709 56 H GLY 10 H GLY 10 -7.735 -20.928 11.804 57 1HA GLY 10 2HA GLY 10 -5.050 -21.917 11.881 58 2HA GLY 10 1HA GLY 10 -6.172 -22.052 10.529 59 H ASN 11 H ASN 11 -6.642 -19.145 10.453 60 HA ASN 11 HA ASN 11 -4.345 -18.438 8.804 61 1HB ASN 11 2HB ASN 11 -5.723 -16.423 8.267 62 2HB ASN 11 1HB ASN 11 -6.541 -17.945 7.920 63 1HD2 ASN 11 1HD2 ASN 11 -6.133 -15.905 10.881 64 2HD2 ASN 11 2HD2 ASN 11 -7.781 -15.923 11.285 65 H ASP 12 H ASP 12 -3.320 -16.313 9.012 66 HA ASP 12 HA ASP 12 -2.171 -14.713 10.186 67 1HB ASP 12 2HB ASP 12 -4.582 -14.124 10.853 68 2HB ASP 12 1HB ASP 12 -4.238 -14.954 12.368 69 H ASN 13 H ASN 13 -3.535 -16.904 12.661 70 HA ASN 13 HA ASN 13 -1.052 -16.922 14.135 71 1HB ASN 13 2HB ASN 13 -3.487 -18.681 14.495 72 2HB ASN 13 1HB ASN 13 -2.204 -18.398 15.670 73 1HD2 ASN 13 1HD2 ASN 13 -2.062 -16.195 16.622 74 2HD2 ASN 13 2HD2 ASN 13 -3.424 -15.182 16.620 75 H GLY 14 H GLY 14 -1.576 -18.172 11.282 76 1HA GLY 14 2HA GLY 14 -0.852 -20.940 11.664 77 2HA GLY 14 1HA GLY 14 -0.962 -20.089 10.126 78 H LYS 15 H LYS 15 1.012 -19.686 13.079 79 HA LYS 15 HA LYS 15 3.450 -20.292 11.645 80 1HB LYS 15 2HB LYS 15 4.468 -18.050 12.077 81 2HB LYS 15 1HB LYS 15 3.149 -18.007 10.913 82 1HG LYS 15 2HG LYS 15 1.629 -17.087 12.481 83 2HG LYS 15 1HG LYS 15 2.669 -17.480 13.849 84 1HD LYS 15 2HD LYS 15 2.731 -15.055 13.231 85 2HD LYS 15 1HD LYS 15 4.310 -15.835 13.147 86 1HE LYS 15 2HE LYS 15 2.597 -15.741 10.674 87 2HE LYS 15 1HE LYS 15 3.498 -14.305 11.156 88 1HZ LYS 15 1HZ LYS 15 4.854 -15.587 9.701 89 2HZ LYS 15 2HZ LYS 15 4.606 -17.002 10.608 90 3HZ LYS 15 3HZ LYS 15 5.507 -15.719 11.261 91 H GLY 16 H GLY 16 4.670 -18.320 13.805 92 1HA GLY 16 2HA GLY 16 5.631 -18.589 15.874 93 2HA GLY 16 1HA GLY 16 4.085 -19.280 16.357 94 H GLY 17 H GLY 17 6.735 -20.308 14.191 95 1HA GLY 17 2HA GLY 17 7.731 -22.385 15.768 96 2HA GLY 17 1HA GLY 17 6.444 -23.067 14.776 97 H GLU 18 H GLU 18 6.658 -21.945 12.385 98 HA GLU 18 HA GLU 18 9.071 -23.095 11.322 99 1HB GLU 18 2HB GLU 18 6.775 -21.597 10.051 100 2HB GLU 18 1HB GLU 18 8.136 -22.245 9.134 101 1HG GLU 18 2HG GLU 18 6.308 -23.862 9.111 102 2HG GLU 18 1HG GLU 18 7.646 -24.503 10.062 103 H LYS 19 H LYS 19 9.106 -20.627 13.087 104 HA LYS 19 HA LYS 19 9.925 -18.442 13.087 105 1HB LYS 19 2HB LYS 19 12.300 -18.492 12.935 106 2HB LYS 19 1HB LYS 19 11.794 -20.067 13.529 107 1HG LYS 19 2HG LYS 19 11.864 -20.785 11.021 108 2HG LYS 19 1HG LYS 19 12.816 -19.326 10.784 109 1HD LYS 19 2HD LYS 19 14.510 -20.860 11.217 110 2HD LYS 19 1HD LYS 19 14.200 -20.270 12.848 111 1HE LYS 19 2HE LYS 19 14.200 -22.618 13.097 112 2HE LYS 19 1HE LYS 19 12.485 -22.221 12.997 113 1HZ LYS 19 1HZ LYS 19 13.730 -24.029 11.448 114 2HZ LYS 19 2HZ LYS 19 13.759 -22.656 10.446 115 3HZ LYS 19 3HZ LYS 19 12.280 -23.247 11.039 116 H ALA 20 H ALA 20 12.047 -17.453 11.411 117 HA ALA 20 HA ALA 20 10.543 -16.850 8.918 118 1HB ALA 20 1HB ALA 20 12.344 -15.017 10.525 119 2HB ALA 20 2HB ALA 20 10.583 -14.941 10.483 120 3HB ALA 20 3HB ALA 20 11.514 -14.599 9.026 121 H ASP 21 H ASP 21 11.611 -18.077 7.392 122 HA ASP 21 HA ASP 21 14.478 -17.525 7.012 123 1HB ASP 21 2HB ASP 21 14.326 -19.605 8.349 124 2HB ASP 21 1HB ASP 21 13.323 -20.321 7.087 125 H ASN 22 H ASN 22 11.632 -19.273 5.705 126 HA ASN 22 HA ASN 22 12.573 -18.610 2.969 127 1HB ASN 22 2HB ASN 22 12.358 -20.999 3.361 128 2HB ASN 22 1HB ASN 22 10.729 -20.797 3.969 129 1HD2 ASN 22 1HD2 ASN 22 12.724 -20.471 1.014 130 2HD2 ASN 22 2HD2 ASN 22 11.422 -20.622 -0.063 131 H ALA 23 H ALA 23 9.471 -19.780 3.225 132 HA ALA 23 HA ALA 23 8.249 -17.496 2.082 133 1HB ALA 23 1HB ALA 23 7.192 -20.013 3.356 134 2HB ALA 23 2HB ALA 23 7.278 -19.612 1.640 135 3HB ALA 23 3HB ALA 23 6.117 -18.786 2.681 136 H ALA 24 H ALA 24 8.461 -18.686 5.406 137 HA ALA 24 HA ALA 24 6.517 -17.052 6.587 138 1HB ALA 24 1HB ALA 24 9.102 -18.193 7.650 139 2HB ALA 24 2HB ALA 24 7.462 -18.785 7.915 140 3HB ALA 24 3HB ALA 24 7.985 -17.275 8.660 141 H GLN 25 H GLN 25 10.011 -16.475 6.193 142 HA GLN 25 HA GLN 25 10.102 -13.903 7.294 143 1HB GLN 25 2HB GLN 25 12.069 -15.262 6.851 144 2HB GLN 25 1HB GLN 25 11.765 -15.169 5.114 145 1HG GLN 25 2HG GLN 25 12.365 -12.908 4.993 146 2HG GLN 25 1HG GLN 25 12.059 -12.629 6.705 147 1HE2 GLN 25 1HE2 GLN 25 13.963 -15.454 5.645 148 2HE2 GLN 25 2HE2 GLN 25 15.441 -14.870 6.232 149 H VAL 26 H VAL 26 9.304 -15.018 4.044 150 HA VAL 26 HA VAL 26 9.341 -12.509 2.742 151 HB VAL 26 HB VAL 26 8.063 -15.173 2.206 152 1HG1 VAL 26 1HG1 VAL 26 7.412 -12.589 0.788 153 2HG1 VAL 26 2HG1 VAL 26 6.295 -13.799 1.424 154 3HG1 VAL 26 3HG1 VAL 26 7.259 -14.157 -0.010 155 1HG2 VAL 26 1HG2 VAL 26 9.448 -15.042 0.193 156 2HG2 VAL 26 2HG2 VAL 26 10.429 -14.764 1.631 157 3HG2 VAL 26 3HG2 VAL 26 9.939 -13.405 0.618 158 H LYS 27 H LYS 27 6.462 -14.387 3.702 159 HA LYS 27 HA LYS 27 4.475 -12.609 3.356 160 1HB LYS 27 2HB LYS 27 4.873 -14.386 5.763 161 2HB LYS 27 1HB LYS 27 3.353 -13.592 5.354 162 1HG LYS 27 2HG LYS 27 3.604 -14.736 3.042 163 2HG LYS 27 1HG LYS 27 4.811 -15.751 3.827 164 1HD LYS 27 2HD LYS 27 1.917 -15.427 4.674 165 2HD LYS 27 1HD LYS 27 2.633 -16.854 3.922 166 1HE LYS 27 2HE LYS 27 4.261 -16.891 5.903 167 2HE LYS 27 1HE LYS 27 3.181 -15.729 6.672 168 1HZ LYS 27 1HZ LYS 27 2.755 -18.551 6.075 169 2HZ LYS 27 2HZ LYS 27 1.414 -17.521 5.911 170 3HZ LYS 27 3HZ LYS 27 2.229 -17.631 7.398 171 H ASP 28 H ASP 28 6.395 -12.732 6.369 172 HA ASP 28 HA ASP 28 5.242 -10.490 7.587 173 1HB ASP 28 2HB ASP 28 8.099 -11.468 7.819 174 2HB ASP 28 1HB ASP 28 7.275 -10.404 8.957 175 H ALA 29 H ALA 29 7.745 -10.772 5.157 176 HA ALA 29 HA ALA 29 8.579 -8.028 5.299 177 1HB ALA 29 1HB ALA 29 9.971 -9.988 4.467 178 2HB ALA 29 2HB ALA 29 9.999 -8.537 3.465 179 3HB ALA 29 3HB ALA 29 9.013 -9.918 2.988 180 H LEU 30 H LEU 30 5.988 -9.708 3.687 181 HA LEU 30 HA LEU 30 5.671 -7.715 1.613 182 1HB LEU 30 2HB LEU 30 3.737 -9.845 2.557 183 2HB LEU 30 1HB LEU 30 3.607 -8.910 1.069 184 HG LEU 30 HG LEU 30 5.910 -10.767 1.749 185 1HD1 LEU 30 1HD1 LEU 30 3.731 -11.154 -0.301 186 2HD1 LEU 30 2HD1 LEU 30 3.649 -11.829 1.326 187 3HD1 LEU 30 3HD1 LEU 30 4.935 -12.325 0.229 188 1HD2 LEU 30 1HD2 LEU 30 5.277 -8.971 -0.590 189 2HD2 LEU 30 2HD2 LEU 30 6.193 -10.455 -0.851 190 3HD2 LEU 30 3HD2 LEU 30 6.818 -9.219 0.234 191 H THR 31 H THR 31 3.961 -8.527 4.634 192 HA THR 31 HA THR 31 2.090 -6.400 4.432 193 HB THR 31 HB THR 31 1.697 -8.280 5.928 194 HG1 THR 31 1HG THR 31 1.660 -5.685 6.668 195 1HG2 THR 31 1HG2 THR 31 4.132 -8.595 6.493 196 2HG2 THR 31 2HG2 THR 31 3.053 -8.666 7.888 197 3HG2 THR 31 3HG2 THR 31 3.995 -7.209 7.575 198 H LYS 32 H LYS 32 5.389 -6.628 5.435 199 HA LYS 32 HA LYS 32 5.728 -4.440 7.098 200 1HB LYS 32 2HB LYS 32 7.472 -6.140 6.179 201 2HB LYS 32 1HB LYS 32 7.655 -5.006 4.844 202 1HG LYS 32 2HG LYS 32 7.967 -4.285 7.777 203 2HG LYS 32 1HG LYS 32 9.305 -4.615 6.675 204 1HD LYS 32 2HD LYS 32 8.171 -2.750 5.188 205 2HD LYS 32 1HD LYS 32 7.405 -2.278 6.706 206 1HE LYS 32 2HE LYS 32 10.384 -2.494 6.189 207 2HE LYS 32 1HE LYS 32 9.465 -1.008 6.424 208 1HZ LYS 32 1HZ LYS 32 10.345 -1.424 8.505 209 2HZ LYS 32 2HZ LYS 32 10.129 -3.105 8.387 210 3HZ LYS 32 3HZ LYS 32 8.790 -2.089 8.634 211 H MET 33 H MET 33 6.021 -4.472 3.544 212 HA MET 33 HA MET 33 6.144 -1.679 3.206 213 1HB MET 33 2HB MET 33 5.257 -3.926 1.391 214 2HB MET 33 1HB MET 33 5.248 -2.242 0.864 215 1HG MET 33 2HG MET 33 7.630 -2.039 1.275 216 2HG MET 33 1HG MET 33 7.683 -3.648 1.995 217 1HE MET 33 1HE MET 33 6.685 -5.726 0.731 218 2HE MET 33 2HE MET 33 8.445 -5.638 0.729 219 3HE MET 33 3HE MET 33 7.594 -6.125 -0.734 220 H ARG 34 H ARG 34 3.370 -3.892 2.763 221 HA ARG 34 HA ARG 34 1.308 -2.221 2.262 222 1HB ARG 34 2HB ARG 34 1.212 -4.721 2.747 223 2HB ARG 34 1HB ARG 34 1.111 -4.286 4.451 224 1HG ARG 34 2HG ARG 34 -0.922 -3.030 4.083 225 2HG ARG 34 1HG ARG 34 -0.796 -3.243 2.334 226 1HD ARG 34 2HD ARG 34 -1.360 -5.517 2.446 227 2HD ARG 34 1HD ARG 34 -0.879 -5.665 4.138 228 HE ARG 34 HE ARG 34 -3.452 -4.804 3.145 229 1HH1 ARG 34 1HH2 ARG 34 -1.148 -4.637 5.720 230 2HH1 ARG 34 2HH2 ARG 34 -2.325 -4.264 6.935 231 1HH2 ARG 34 1HH1 ARG 34 -5.003 -4.317 4.732 232 2HH2 ARG 34 2HH1 ARG 34 -4.508 -4.082 6.375 233 H ALA 35 H ALA 35 2.029 -3.108 5.643 234 HA ALA 35 HA ALA 35 0.479 -1.190 6.884 235 1HB ALA 35 1HB ALA 35 1.933 -1.479 8.841 236 2HB ALA 35 2HB ALA 35 3.155 -2.249 7.828 237 3HB ALA 35 3HB ALA 35 1.594 -3.033 8.079 238 H ALA 36 H ALA 36 3.503 -0.793 5.237 239 HA ALA 36 HA ALA 36 4.128 1.769 6.418 240 1HB ALA 36 1HB ALA 36 5.738 0.007 5.293 241 2HB ALA 36 2HB ALA 36 6.066 1.730 5.134 242 3HB ALA 36 3HB ALA 36 5.305 0.853 3.808 243 H ALA 37 H ALA 37 2.763 0.584 3.368 244 HA ALA 37 HA ALA 37 2.491 3.016 2.029 245 1HB ALA 37 1HB ALA 37 2.028 0.835 0.976 246 2HB ALA 37 2HB ALA 37 0.661 1.933 0.787 247 3HB ALA 37 3HB ALA 37 0.600 0.647 1.992 248 H LEU 38 H LEU 38 0.285 1.385 4.301 249 HA LEU 38 HA LEU 38 -1.721 3.406 4.260 250 1HB LEU 38 2HB LEU 38 -1.026 1.487 6.491 251 2HB LEU 38 1HB LEU 38 -2.546 2.355 6.307 252 HG LEU 38 HG LEU 38 -1.482 0.491 4.172 253 1HD1 LEU 38 1HD1 LEU 38 -1.741 -0.798 6.243 254 2HD1 LEU 38 2HD1 LEU 38 -3.021 -1.217 5.104 255 3HD1 LEU 38 3HD1 LEU 38 -3.365 -0.147 6.463 256 1HD2 LEU 38 1HD2 LEU 38 -4.163 1.772 4.772 257 2HD2 LEU 38 2HD2 LEU 38 -4.008 0.389 3.692 258 3HD2 LEU 38 3HD2 LEU 38 -3.198 1.902 3.301 259 H ASP 39 H ASP 39 1.177 2.919 6.200 260 HA ASP 39 HA ASP 39 0.722 4.888 8.143 261 1HB ASP 39 2HB ASP 39 2.581 3.083 7.988 262 2HB ASP 39 1HB ASP 39 3.468 4.288 7.062 263 H ALA 40 H ALA 40 2.826 5.127 5.275 264 HA ALA 40 HA ALA 40 3.357 7.832 5.362 265 1HB ALA 40 1HB ALA 40 3.489 7.586 2.781 266 2HB ALA 40 2HB ALA 40 3.109 5.890 3.080 267 3HB ALA 40 3HB ALA 40 4.566 6.601 3.773 268 H GLN 41 H GLN 41 0.710 6.239 3.606 269 HA GLN 41 HA GLN 41 -0.581 8.205 2.346 270 1HB GLN 41 2HB GLN 41 -1.519 6.087 2.229 271 2HB GLN 41 1HB GLN 41 -1.525 5.887 3.973 272 1HG GLN 41 2HG GLN 41 -3.396 7.411 4.206 273 2HG GLN 41 1HG GLN 41 -3.322 7.824 2.488 274 1HE2 GLN 41 1HE2 GLN 41 -2.516 4.650 2.500 275 2HE2 GLN 41 2HE2 GLN 41 -4.059 3.944 2.343 276 H LYS 42 H LYS 42 -1.046 7.518 5.824 277 HA LYS 42 HA LYS 42 -1.399 10.351 6.355 278 1HB LYS 42 2HB LYS 42 -3.739 8.447 6.453 279 2HB LYS 42 1HB LYS 42 -3.701 9.900 7.450 280 1HG LYS 42 2HG LYS 42 -3.203 11.160 5.224 281 2HG LYS 42 1HG LYS 42 -3.770 9.689 4.438 282 1HD LYS 42 2HD LYS 42 -5.339 11.292 6.473 283 2HD LYS 42 1HD LYS 42 -5.603 11.320 4.730 284 1HE LYS 42 2HE LYS 42 -7.198 9.764 5.507 285 2HE LYS 42 1HE LYS 42 -5.875 8.747 4.936 286 1HZ LYS 42 1HZ LYS 42 -5.434 8.045 6.992 287 2HZ LYS 42 2HZ LYS 42 -6.976 8.631 7.397 288 3HZ LYS 42 3HZ LYS 42 -5.600 9.589 7.674 289 H ALA 43 H ALA 43 0.563 9.312 7.521 290 HA ALA 43 HA ALA 43 -0.244 9.048 10.305 291 1HB ALA 43 1HB ALA 43 0.722 6.959 10.762 292 2HB ALA 43 2HB ALA 43 1.581 6.915 9.225 293 3HB ALA 43 3HB ALA 43 -0.170 6.697 9.264 294 H THR 44 H THR 44 2.614 8.577 8.211 295 HA THR 44 HA THR 44 4.095 10.457 9.958 296 HB THR 44 HB THR 44 4.848 8.066 10.043 297 HG1 THR 44 1HG THR 44 7.078 8.714 9.687 298 1HG2 THR 44 1HG2 THR 44 4.593 8.014 7.325 299 2HG2 THR 44 2HG2 THR 44 5.652 6.928 8.217 300 3HG2 THR 44 3HG2 THR 44 6.309 8.383 7.477 301 HA PRO 45 HA PRO 45 3.392 12.749 5.945 302 1HB PRO 45 2HB PRO 45 4.943 14.528 7.814 303 2HB PRO 45 1HB PRO 45 3.715 14.976 6.608 304 1HG PRO 45 2HG PRO 45 3.045 14.759 9.154 305 2HG PRO 45 1HG PRO 45 1.966 14.142 7.889 306 1HD PRO 45 2HD PRO 45 3.635 12.625 9.824 307 2HD PRO 45 1HD PRO 45 2.156 12.112 8.983 308 HA PRO 46 HA PRO 46 7.738 11.537 5.049 309 1HB PRO 46 2HB PRO 46 7.334 10.239 2.741 310 2HB PRO 46 1HB PRO 46 6.816 9.528 4.282 311 1HG PRO 46 2HG PRO 46 5.174 10.922 2.211 312 2HG PRO 46 1HG PRO 46 4.802 9.480 3.148 313 1HD PRO 46 2HD PRO 46 3.917 12.057 3.781 314 2HD PRO 46 1HD PRO 46 3.967 10.693 4.921 315 H LYS 47 H LYS 47 6.775 11.647 1.780 316 HA LYS 47 HA LYS 47 8.453 13.923 1.248 317 1HB LYS 47 2HB LYS 47 6.608 12.594 -0.735 318 2HB LYS 47 1HB LYS 47 8.138 13.417 -1.039 319 1HG LYS 47 2HG LYS 47 7.787 10.803 0.459 320 2HG LYS 47 1HG LYS 47 8.456 10.990 -1.163 321 1HD LYS 47 2HD LYS 47 10.183 12.568 -0.080 322 2HD LYS 47 1HD LYS 47 9.636 11.909 1.463 323 1HE LYS 47 2HE LYS 47 10.145 9.619 0.639 324 2HE LYS 47 1HE LYS 47 10.757 10.315 -0.861 325 1HZ LYS 47 1HZ LYS 47 12.201 11.712 0.761 326 2HZ LYS 47 2HZ LYS 47 12.662 10.125 0.370 327 3HZ LYS 47 3HZ LYS 47 11.886 10.448 1.847 328 H LEU 48 H LEU 48 5.192 13.473 2.073 329 HA LEU 48 HA LEU 48 4.173 15.786 0.628 330 1HB LEU 48 2HB LEU 48 2.784 14.453 2.949 331 2HB LEU 48 1HB LEU 48 2.077 15.268 1.552 332 HG LEU 48 HG LEU 48 3.638 12.661 1.437 333 1HD1 LEU 48 1HD1 LEU 48 1.426 12.488 2.587 334 2HD1 LEU 48 2HD1 LEU 48 1.493 11.584 1.075 335 3HD1 LEU 48 3HD1 LEU 48 0.660 13.135 1.138 336 1HD2 LEU 48 1HD2 LEU 48 2.508 12.638 -0.884 337 2HD2 LEU 48 2HD2 LEU 48 3.862 13.745 -0.668 338 3HD2 LEU 48 3HD2 LEU 48 2.208 14.356 -0.620 339 H GLU 49 H GLU 49 6.463 16.199 2.445 340 HA GLU 49 HA GLU 49 5.693 17.391 4.862 341 1HB GLU 49 2HB GLU 49 7.846 18.474 4.867 342 2HB GLU 49 1HB GLU 49 8.052 16.863 4.185 343 1HG GLU 49 2HG GLU 49 7.838 19.460 2.626 344 2HG GLU 49 1HG GLU 49 9.280 18.474 2.830 345 H ASP 50 H ASP 50 5.356 18.448 1.603 346 HA ASP 50 HA ASP 50 3.829 20.755 2.443 347 1HB ASP 50 2HB ASP 50 6.181 21.591 2.472 348 2HB ASP 50 1HB ASP 50 6.305 21.187 0.760 349 H LYS 51 H LYS 51 3.150 18.396 1.048 350 HA LYS 51 HA LYS 51 2.335 19.536 -1.557 351 1HB LYS 51 2HB LYS 51 3.126 16.636 -1.282 352 2HB LYS 51 1HB LYS 51 2.867 17.570 -2.752 353 1HG LYS 51 2HG LYS 51 4.876 19.037 -1.713 354 2HG LYS 51 1HG LYS 51 5.252 17.510 -0.928 355 1HD LYS 51 2HD LYS 51 4.822 17.757 -3.923 356 2HD LYS 51 1HD LYS 51 6.401 17.914 -3.163 357 1HE LYS 51 2HE LYS 51 4.742 15.498 -2.511 358 2HE LYS 51 1HE LYS 51 5.587 15.558 -4.058 359 1HZ LYS 51 1HZ LYS 51 7.130 16.354 -1.730 360 2HZ LYS 51 2HZ LYS 51 7.586 15.421 -3.075 361 3HZ LYS 51 3HZ LYS 51 6.708 14.712 -1.805 362 H SER 52 H SER 52 0.795 19.584 0.698 363 HA SER 52 HA SER 52 -0.803 17.503 1.400 364 1HB SER 52 2HB SER 52 -0.825 20.231 1.802 365 2HB SER 52 1HB SER 52 -2.357 19.972 0.979 366 HG SER 52 HG SER 52 -2.634 19.665 3.184 367 HA PRO 53 HA PRO 53 -3.632 16.207 -1.716 368 1HB PRO 53 2HB PRO 53 -5.991 17.600 -0.518 369 2HB PRO 53 1HB PRO 53 -5.762 15.877 -0.880 370 1HG PRO 53 2HG PRO 53 -5.663 16.767 1.619 371 2HG PRO 53 1HG PRO 53 -4.559 15.495 1.059 372 1HD PRO 53 2HD PRO 53 -4.000 18.414 1.503 373 2HD PRO 53 1HD PRO 53 -2.982 17.002 1.865 374 H ASP 54 H ASP 54 -2.352 18.711 -2.283 375 HA ASP 54 HA ASP 54 -4.359 20.232 -3.831 376 1HB ASP 54 2HB ASP 54 -2.863 21.482 -2.288 377 2HB ASP 54 1HB ASP 54 -1.475 20.909 -3.211 378 H SER 55 H SER 55 -0.964 19.238 -4.212 379 HA SER 55 HA SER 55 -1.097 19.228 -7.078 380 1HB SER 55 2HB SER 55 1.108 17.746 -5.731 381 2HB SER 55 1HB SER 55 1.190 19.038 -6.932 382 HG SER 55 HG SER 55 1.927 19.757 -4.918 383 HA PRO 56 HA PRO 56 -2.086 15.034 -8.103 384 1HB PRO 56 2HB PRO 56 0.758 14.154 -8.452 385 2HB PRO 56 1HB PRO 56 -0.604 14.043 -9.586 386 1HG PRO 56 2HG PRO 56 1.289 15.856 -9.947 387 2HG PRO 56 1HG PRO 56 -0.414 16.267 -10.227 388 1HD PRO 56 2HD PRO 56 1.325 16.952 -7.880 389 2HD PRO 56 1HD PRO 56 0.119 17.965 -8.712 390 H GLU 57 H GLU 57 -0.609 15.732 -5.303 391 HA GLU 57 HA GLU 57 0.469 13.581 -4.073 392 1HB GLU 57 2HB GLU 57 0.095 15.584 -2.814 393 2HB GLU 57 1HB GLU 57 -1.649 15.466 -3.012 394 1HG GLU 57 2HG GLU 57 -1.726 13.464 -1.616 395 2HG GLU 57 1HG GLU 57 0.032 13.416 -1.530 396 H MET 58 H MET 58 -3.048 14.147 -4.125 397 HA MET 58 HA MET 58 -3.782 11.669 -3.088 398 1HB MET 58 2HB MET 58 -5.412 13.251 -5.065 399 2HB MET 58 1HB MET 58 -5.987 12.131 -3.825 400 1HG MET 58 2HG MET 58 -5.174 13.619 -2.057 401 2HG MET 58 1HG MET 58 -4.495 14.726 -3.255 402 1HE MET 58 1HE MET 58 -7.817 12.758 -2.488 403 2HE MET 58 2HE MET 58 -8.828 14.110 -1.986 404 3HE MET 58 3HE MET 58 -7.345 13.753 -1.105 405 H LYS 59 H LYS 59 -3.316 12.670 -6.452 406 HA LYS 59 HA LYS 59 -4.210 10.279 -7.658 407 1HB LYS 59 2HB LYS 59 -2.187 12.332 -8.582 408 2HB LYS 59 1HB LYS 59 -2.785 11.023 -9.597 409 1HG LYS 59 2HG LYS 59 -4.769 12.830 -8.220 410 2HG LYS 59 1HG LYS 59 -3.951 13.403 -9.672 411 1HD LYS 59 2HD LYS 59 -4.718 11.380 -10.886 412 2HD LYS 59 1HD LYS 59 -5.575 10.848 -9.440 413 1HE LYS 59 2HE LYS 59 -7.068 12.708 -9.521 414 2HE LYS 59 1HE LYS 59 -6.077 13.543 -10.717 415 1HZ LYS 59 1HZ LYS 59 -7.943 12.550 -11.806 416 2HZ LYS 59 2HZ LYS 59 -7.611 11.032 -11.117 417 3HZ LYS 59 3HZ LYS 59 -6.549 11.699 -12.263 418 H ASP 60 H ASP 60 -1.044 11.299 -6.477 419 HA ASP 60 HA ASP 60 0.264 8.871 -7.313 420 1HB ASP 60 2HB ASP 60 1.382 11.107 -7.070 421 2HB ASP 60 1HB ASP 60 1.243 10.921 -5.324 422 H PHE 61 H PHE 61 -1.282 10.072 -4.406 423 HA PHE 61 HA PHE 61 -0.290 7.950 -2.728 424 1HB PHE 61 2HB PHE 61 -0.905 9.622 -1.270 425 2HB PHE 61 1HB PHE 61 -2.107 10.275 -2.368 426 HD1 PHE 61 1HD PHE 61 -4.120 10.421 -1.156 427 HD2 PHE 61 2HD PHE 61 -1.771 6.836 -0.891 428 HE1 PHE 61 1HE PHE 61 -5.936 9.329 0.118 429 HE2 PHE 61 2HE PHE 61 -3.590 5.742 0.375 430 HZ PHE 61 HZ PHE 61 -5.676 6.990 0.881 431 H ARG 62 H ARG 62 -3.674 8.716 -3.681 432 HA ARG 62 HA ARG 62 -4.849 6.336 -3.118 433 1HB ARG 62 2HB ARG 62 -5.271 8.146 -5.489 434 2HB ARG 62 1HB ARG 62 -6.316 6.764 -5.155 435 1HG ARG 62 2HG ARG 62 -7.168 7.690 -3.190 436 2HG ARG 62 1HG ARG 62 -5.742 8.687 -2.910 437 1HD ARG 62 2HD ARG 62 -7.529 10.142 -3.554 438 2HD ARG 62 1HD ARG 62 -6.405 10.066 -4.898 439 HE ARG 62 HE ARG 62 -8.312 8.084 -5.348 440 1HH1 ARG 62 1HH2 ARG 62 -8.162 11.523 -4.980 441 2HH1 ARG 62 2HH2 ARG 62 -9.524 11.829 -6.005 442 1HH2 ARG 62 1HH1 ARG 62 -10.098 8.479 -6.691 443 2HH2 ARG 62 2HH1 ARG 62 -10.621 10.107 -6.973 444 H HIS 63 H HIS 63 -2.826 7.001 -5.968 445 HA HIS 63 HA HIS 63 -3.212 4.279 -6.916 446 1HB HIS 63 2HB HIS 63 -2.857 6.270 -8.431 447 2HB HIS 63 1HB HIS 63 -1.178 6.274 -7.897 448 HD1 HIS 63 1HD HIS 63 -3.149 3.106 -8.455 449 HD2 HIS 63 2HD HIS 63 -0.114 5.272 -10.319 450 HE1 HIS 63 1HE HIS 63 -2.244 1.628 -10.302 451 HE2 HIS 63 2HE HIS 63 -0.392 2.934 -11.447 452 H GLY 64 H GLY 64 -0.334 6.172 -6.017 453 1HA GLY 64 2HA GLY 64 1.582 4.291 -5.923 454 2HA GLY 64 1HA GLY 64 1.484 5.550 -4.712 455 H PHE 65 H PHE 65 -1.050 4.573 -3.518 456 HA PHE 65 HA PHE 65 0.206 2.496 -1.898 457 1HB PHE 65 2HB PHE 65 -1.207 3.151 -0.239 458 2HB PHE 65 1HB PHE 65 -1.552 4.523 -1.278 459 HD1 PHE 65 1HD PHE 65 -3.516 4.508 -2.708 460 HD2 PHE 65 2HD PHE 65 -2.854 1.411 0.134 461 HE1 PHE 65 1HE PHE 65 -5.890 3.871 -2.911 462 HE2 PHE 65 2HE PHE 65 -5.240 0.738 -0.050 463 HZ PHE 65 HZ PHE 65 -6.745 1.985 -1.581 464 H ASP 66 H ASP 66 -2.478 2.815 -4.170 465 HA ASP 66 HA ASP 66 -3.485 0.183 -4.002 466 1HB ASP 66 2HB ASP 66 -4.647 1.957 -5.247 467 2HB ASP 66 1HB ASP 66 -3.311 2.056 -6.397 468 H ILE 67 H ILE 67 -0.847 1.638 -5.840 469 HA ILE 67 HA ILE 67 -0.090 -0.541 -7.421 470 HB ILE 67 HB ILE 67 1.568 1.685 -6.184 471 1HG1 ILE 67 2HG1 ILE 67 0.463 1.316 -8.987 472 2HG1 ILE 67 1HG1 ILE 67 -0.294 2.301 -7.738 473 1HG2 ILE 67 1HG2 ILE 67 2.233 -0.405 -8.287 474 2HG2 ILE 67 2HG2 ILE 67 3.088 -0.095 -6.776 475 3HG2 ILE 67 3HG2 ILE 67 3.157 1.084 -8.086 476 1HD1 ILE 67 1HD1 ILE 67 1.708 3.110 -9.560 477 2HD1 ILE 67 2HD1 ILE 67 2.515 3.020 -7.995 478 3HD1 ILE 67 3HD1 ILE 67 1.082 4.029 -8.195 479 H LEU 68 H LEU 68 1.566 0.591 -4.497 480 HA LEU 68 HA LEU 68 3.095 -1.663 -3.997 481 1HB LEU 68 2HB LEU 68 2.037 0.574 -2.353 482 2HB LEU 68 1HB LEU 68 2.545 -0.851 -1.447 483 HG LEU 68 HG LEU 68 4.744 -0.731 -2.815 484 1HD1 LEU 68 1HD1 LEU 68 5.285 1.550 -3.653 485 2HD1 LEU 68 2HD1 LEU 68 3.613 2.026 -3.365 486 3HD1 LEU 68 3HD1 LEU 68 3.983 0.787 -4.565 487 1HD2 LEU 68 1HD2 LEU 68 3.978 1.396 -0.802 488 2HD2 LEU 68 2HD2 LEU 68 5.624 1.165 -1.383 489 3HD2 LEU 68 3HD2 LEU 68 4.815 -0.130 -0.508 490 H VAL 69 H VAL 69 -0.120 -0.936 -2.608 491 HA VAL 69 HA VAL 69 -0.476 -3.417 -1.352 492 HB VAL 69 HB VAL 69 -2.426 -1.340 -2.361 493 1HG1 VAL 69 1HG1 VAL 69 -3.654 -3.367 -2.242 494 2HG1 VAL 69 2HG1 VAL 69 -4.000 -2.483 -0.758 495 3HG1 VAL 69 3HG1 VAL 69 -2.863 -3.833 -0.733 496 1HG2 VAL 69 1HG2 VAL 69 -1.017 -0.520 -0.573 497 2HG2 VAL 69 2HG2 VAL 69 -1.236 -2.009 0.346 498 3HG2 VAL 69 3HG2 VAL 69 -2.590 -0.904 0.126 499 H GLY 70 H GLY 70 -0.508 -2.525 -4.637 500 1HA GLY 70 2HA GLY 70 -2.245 -4.702 -5.515 501 2HA GLY 70 1HA GLY 70 -1.411 -3.541 -6.547 502 H GLN 71 H GLN 71 1.178 -3.890 -5.332 503 HA GLN 71 HA GLN 71 2.020 -6.275 -6.759 504 1HB GLN 71 2HB GLN 71 3.631 -4.270 -5.153 505 2HB GLN 71 1HB GLN 71 4.289 -5.510 -6.225 506 1HG GLN 71 2HG GLN 71 3.204 -4.491 -8.143 507 2HG GLN 71 1HG GLN 71 2.391 -3.325 -7.105 508 1HE2 GLN 71 1HE2 GLN 71 4.100 -2.055 -5.638 509 2HE2 GLN 71 2HE2 GLN 71 5.475 -1.517 -6.470 510 H ILE 72 H ILE 72 1.995 -5.049 -3.449 511 HA ILE 72 HA ILE 72 3.277 -7.045 -2.054 512 HB ILE 72 HB ILE 72 1.001 -5.194 -1.495 513 1HG1 ILE 72 2HG1 ILE 72 3.335 -5.616 0.354 514 2HG1 ILE 72 1HG1 ILE 72 3.659 -4.892 -1.214 515 1HG2 ILE 72 1HG2 ILE 72 0.120 -7.111 -0.348 516 2HG2 ILE 72 2HG2 ILE 72 0.862 -6.084 0.877 517 3HG2 ILE 72 3HG2 ILE 72 1.705 -7.525 0.307 518 1HD1 ILE 72 1HD1 ILE 72 1.488 -3.863 0.611 519 2HD1 ILE 72 2HD1 ILE 72 2.181 -3.072 -0.799 520 3HD1 ILE 72 3HD1 ILE 72 3.142 -3.259 0.659 521 H ASP 73 H ASP 73 -0.102 -7.012 -3.174 522 HA ASP 73 HA ASP 73 -0.724 -9.630 -2.203 523 1HB ASP 73 2HB ASP 73 -2.457 -7.936 -2.705 524 2HB ASP 73 1HB ASP 73 -2.043 -8.035 -4.415 525 H ASP 74 H ASP 74 0.417 -8.331 -5.269 526 HA ASP 74 HA ASP 74 0.273 -10.709 -6.771 527 1HB ASP 74 2HB ASP 74 0.586 -8.250 -7.574 528 2HB ASP 74 1HB ASP 74 2.300 -8.539 -7.271 529 H ALA 75 H ALA 75 2.325 -9.574 -4.313 530 HA ALA 75 HA ALA 75 4.656 -11.083 -5.065 531 1HB ALA 75 1HB ALA 75 5.647 -10.228 -3.106 532 2HB ALA 75 2HB ALA 75 4.086 -9.981 -2.321 533 3HB ALA 75 3HB ALA 75 4.579 -8.936 -3.652 534 H LEU 76 H LEU 76 2.402 -11.308 -2.282 535 HA LEU 76 HA LEU 76 3.302 -13.776 -1.342 536 1HB LEU 76 2HB LEU 76 1.789 -12.420 -0.022 537 2HB LEU 76 1HB LEU 76 0.518 -12.599 -1.226 538 HG LEU 76 HG LEU 76 1.589 -15.226 -0.331 539 1HD1 LEU 76 1HD1 LEU 76 0.099 -13.538 1.709 540 2HD1 LEU 76 2HD1 LEU 76 1.825 -13.889 1.789 541 3HD1 LEU 76 3HD1 LEU 76 0.652 -15.201 1.906 542 1HD2 LEU 76 1HD2 LEU 76 -0.502 -14.907 -1.640 543 2HD2 LEU 76 2HD2 LEU 76 -1.205 -14.021 -0.287 544 3HD2 LEU 76 3HD2 LEU 76 -0.806 -15.729 -0.110 545 H LYS 77 H LYS 77 0.546 -13.121 -3.537 546 HA LYS 77 HA LYS 77 -0.186 -15.754 -4.047 547 1HB LYS 77 2HB LYS 77 -1.402 -14.944 -5.867 548 2HB LYS 77 1HB LYS 77 -1.237 -13.548 -4.854 549 1HG LYS 77 2HG LYS 77 -0.758 -12.740 -7.002 550 2HG LYS 77 1HG LYS 77 0.796 -12.875 -6.207 551 1HD LYS 77 2HD LYS 77 0.447 -13.698 -8.707 552 2HD LYS 77 1HD LYS 77 1.525 -14.544 -7.627 553 1HE LYS 77 2HE LYS 77 0.031 -16.076 -8.908 554 2HE LYS 77 1HE LYS 77 -0.224 -16.229 -7.174 555 1HZ LYS 77 1HZ LYS 77 -1.909 -14.218 -7.954 556 2HZ LYS 77 2HZ LYS 77 -2.351 -15.820 -7.599 557 3HZ LYS 77 3HZ LYS 77 -2.031 -15.360 -9.203 558 H LEU 78 H LEU 78 2.612 -13.994 -5.154 559 HA LEU 78 HA LEU 78 3.425 -15.920 -7.108 560 1HB LEU 78 2HB LEU 78 4.224 -13.410 -6.633 561 2HB LEU 78 1HB LEU 78 5.440 -14.225 -5.665 562 HG LEU 78 HG LEU 78 6.355 -13.916 -7.869 563 1HD1 LEU 78 1HD1 LEU 78 7.005 -16.127 -8.366 564 2HD1 LEU 78 2HD1 LEU 78 5.454 -16.792 -7.861 565 3HD1 LEU 78 3HD1 LEU 78 6.585 -16.180 -6.655 566 1HD2 LEU 78 1HD2 LEU 78 5.254 -14.272 -9.870 567 2HD2 LEU 78 2HD2 LEU 78 3.861 -13.880 -8.867 568 3HD2 LEU 78 3HD2 LEU 78 4.242 -15.563 -9.228 569 H ALA 79 H ALA 79 4.409 -15.255 -3.750 570 HA ALA 79 HA ALA 79 6.074 -17.597 -3.537 571 1HB ALA 79 1HB ALA 79 4.900 -15.962 -1.279 572 2HB ALA 79 2HB ALA 79 6.331 -15.467 -2.183 573 3HB ALA 79 3HB ALA 79 6.353 -16.961 -1.245 574 H ASN 80 H ASN 80 2.747 -17.085 -3.515 575 HA ASN 80 HA ASN 80 2.035 -19.145 -1.622 576 1HB ASN 80 2HB ASN 80 0.613 -17.106 -2.319 577 2HB ASN 80 1HB ASN 80 0.235 -18.029 -3.773 578 1HD2 ASN 80 1HD2 ASN 80 -1.144 -17.305 -0.925 579 2HD2 ASN 80 2HD2 ASN 80 -1.952 -18.757 -0.585 580 H GLU 81 H GLU 81 2.170 -18.714 -5.110 581 HA GLU 81 HA GLU 81 2.250 -21.644 -5.523 582 1HB GLU 81 2HB GLU 81 0.039 -20.472 -6.182 583 2HB GLU 81 1HB GLU 81 0.985 -19.718 -7.471 584 1HG GLU 81 2HG GLU 81 1.682 -21.984 -8.237 585 2HG GLU 81 1HG GLU 81 0.646 -22.697 -7.001 586 H GLY 82 H GLY 82 4.578 -20.419 -5.209 587 1HA GLY 82 2HA GLY 82 6.034 -20.788 -7.523 588 2HA GLY 82 1HA GLY 82 5.590 -19.083 -7.491 589 H LYS 83 H LYS 83 7.360 -21.601 -5.933 590 HA LYS 83 HA LYS 83 8.303 -21.053 -3.619 591 1HB LYS 83 2HB LYS 83 9.554 -22.672 -4.728 592 2HB LYS 83 1HB LYS 83 9.858 -21.639 -6.112 593 1HG LYS 83 2HG LYS 83 11.939 -21.978 -4.917 594 2HG LYS 83 1HG LYS 83 11.466 -20.305 -4.718 595 1HD LYS 83 2HD LYS 83 11.909 -20.751 -2.496 596 2HD LYS 83 1HD LYS 83 10.267 -21.371 -2.511 597 1HE LYS 83 2HE LYS 83 12.819 -22.968 -2.835 598 2HE LYS 83 1HE LYS 83 11.678 -23.045 -1.492 599 1HZ LYS 83 1HZ LYS 83 9.981 -23.790 -3.099 600 2HZ LYS 83 2HZ LYS 83 11.281 -24.873 -2.953 601 3HZ LYS 83 3HZ LYS 83 11.172 -23.848 -4.304 602 H VAL 84 H VAL 84 9.491 -19.755 -2.400 603 HA VAL 84 HA VAL 84 9.277 -17.057 -2.535 604 HB VAL 84 HB VAL 84 11.493 -18.679 -1.268 605 1HG1 VAL 84 1HG1 VAL 84 12.503 -16.616 -1.075 606 2HG1 VAL 84 2HG1 VAL 84 11.349 -16.402 0.242 607 3HG1 VAL 84 3HG1 VAL 84 11.003 -15.735 -1.355 608 1HG2 VAL 84 1HG2 VAL 84 10.083 -18.046 0.806 609 2HG2 VAL 84 2HG2 VAL 84 9.434 -19.288 -0.253 610 3HG2 VAL 84 3HG2 VAL 84 8.805 -17.642 -0.337 611 H LYS 85 H LYS 85 12.055 -18.934 -3.710 612 HA LYS 85 HA LYS 85 13.799 -16.960 -4.443 613 1HB LYS 85 2HB LYS 85 13.101 -19.392 -6.108 614 2HB LYS 85 1HB LYS 85 14.572 -18.431 -6.255 615 1HG LYS 85 2HG LYS 85 15.121 -18.959 -3.884 616 2HG LYS 85 1HG LYS 85 13.693 -19.990 -3.807 617 1HD LYS 85 2HD LYS 85 14.577 -21.441 -5.540 618 2HD LYS 85 1HD LYS 85 15.944 -20.358 -5.802 619 1HE LYS 85 2HE LYS 85 16.717 -20.771 -3.495 620 2HE LYS 85 1HE LYS 85 15.352 -21.854 -3.230 621 1HZ LYS 85 1HZ LYS 85 17.121 -23.238 -3.812 622 2HZ LYS 85 2HZ LYS 85 17.650 -22.210 -5.058 623 3HZ LYS 85 3HZ LYS 85 16.217 -23.104 -5.240 624 H GLU 86 H GLU 86 10.868 -17.929 -6.117 625 HA GLU 86 HA GLU 86 11.294 -16.143 -8.352 626 1HB GLU 86 2HB GLU 86 8.735 -17.530 -7.519 627 2HB GLU 86 1HB GLU 86 9.110 -16.850 -9.102 628 1HG GLU 86 2HG GLU 86 11.107 -18.477 -9.133 629 2HG GLU 86 1HG GLU 86 10.308 -19.282 -7.783 630 H ALA 87 H ALA 87 9.785 -16.069 -5.254 631 HA ALA 87 HA ALA 87 8.243 -13.669 -5.763 632 1HB ALA 87 1HB ALA 87 7.693 -15.577 -4.081 633 2HB ALA 87 2HB ALA 87 7.400 -13.908 -3.593 634 3HB ALA 87 3HB ALA 87 8.837 -14.755 -3.020 635 H GLN 88 H GLN 88 11.078 -14.549 -3.773 636 HA GLN 88 HA GLN 88 11.701 -12.021 -2.809 637 1HB GLN 88 2HB GLN 88 13.675 -12.964 -2.085 638 2HB GLN 88 1HB GLN 88 12.822 -14.444 -2.496 639 1HG GLN 88 2HG GLN 88 14.882 -14.758 -3.557 640 2HG GLN 88 1HG GLN 88 13.900 -14.110 -4.859 641 1HE2 GLN 88 1HE2 GLN 88 14.014 -11.438 -3.330 642 2HE2 GLN 88 2HE2 GLN 88 15.512 -10.782 -3.766 643 H ALA 89 H ALA 89 12.285 -13.459 -5.957 644 HA ALA 89 HA ALA 89 13.830 -11.249 -6.960 645 1HB ALA 89 1HB ALA 89 13.491 -12.308 -9.155 646 2HB ALA 89 2HB ALA 89 12.303 -13.405 -8.451 647 3HB ALA 89 3HB ALA 89 13.994 -13.505 -7.962 648 H ALA 90 H ALA 90 10.449 -12.299 -6.993 649 HA ALA 90 HA ALA 90 9.507 -10.201 -8.685 650 1HB ALA 90 1HB ALA 90 7.329 -10.902 -8.115 651 2HB ALA 90 2HB ALA 90 7.841 -11.520 -6.545 652 3HB ALA 90 3HB ALA 90 8.289 -12.377 -8.019 653 H ALA 91 H ALA 91 10.517 -10.336 -5.415 654 HA ALA 91 HA ALA 91 9.012 -8.110 -4.414 655 1HB ALA 91 1HB ALA 91 10.088 -9.950 -3.031 656 2HB ALA 91 2HB ALA 91 10.351 -8.303 -2.457 657 3HB ALA 91 3HB ALA 91 11.630 -9.147 -3.331 658 H GLU 92 H GLU 92 12.146 -8.582 -5.915 659 HA GLU 92 HA GLU 92 13.209 -5.997 -5.418 660 1HB GLU 92 2HB GLU 92 13.844 -7.905 -7.680 661 2HB GLU 92 1HB GLU 92 14.852 -6.568 -7.127 662 1HG GLU 92 2HG GLU 92 13.987 -8.734 -5.212 663 2HG GLU 92 1HG GLU 92 15.386 -8.965 -6.257 664 H GLN 93 H GLN 93 11.588 -7.398 -8.272 665 HA GLN 93 HA GLN 93 11.687 -5.249 -10.001 666 1HB GLN 93 2HB GLN 93 9.171 -6.871 -9.597 667 2HB GLN 93 1HB GLN 93 9.741 -6.111 -11.080 668 1HG GLN 93 2HG GLN 93 11.668 -7.640 -11.140 669 2HG GLN 93 1HG GLN 93 11.122 -8.396 -9.647 670 1HE2 GLN 93 1HE2 GLN 93 8.566 -9.036 -9.875 671 2HE2 GLN 93 2HE2 GLN 93 8.213 -9.882 -11.303 672 H LEU 94 H LEU 94 10.089 -5.499 -6.993 673 HA LEU 94 HA LEU 94 8.181 -3.368 -7.475 674 1HB LEU 94 2HB LEU 94 8.958 -4.378 -4.741 675 2HB LEU 94 1HB LEU 94 7.421 -3.707 -5.277 676 HG LEU 94 HG LEU 94 8.578 -6.429 -5.875 677 1HD1 LEU 94 1HD1 LEU 94 5.994 -5.463 -4.627 678 2HD1 LEU 94 2HD1 LEU 94 7.330 -6.267 -3.804 679 3HD1 LEU 94 3HD1 LEU 94 6.359 -7.151 -4.981 680 1HD2 LEU 94 1HD2 LEU 94 6.355 -6.656 -7.237 681 2HD2 LEU 94 2HD2 LEU 94 7.725 -5.860 -8.004 682 3HD2 LEU 94 3HD2 LEU 94 6.416 -4.896 -7.320 683 H LYS 95 H LYS 95 11.125 -3.834 -5.558 684 HA LYS 95 HA LYS 95 11.455 -1.399 -4.381 685 1HB LYS 95 2HB LYS 95 13.595 -2.987 -5.828 686 2HB LYS 95 1HB LYS 95 13.912 -1.687 -4.686 687 1HG LYS 95 2HG LYS 95 12.194 -4.023 -3.852 688 2HG LYS 95 1HG LYS 95 13.940 -4.179 -3.849 689 1HD LYS 95 2HD LYS 95 12.723 -1.768 -2.521 690 2HD LYS 95 1HD LYS 95 12.620 -3.318 -1.701 691 1HE LYS 95 2HE LYS 95 14.622 -2.295 -0.903 692 2HE LYS 95 1HE LYS 95 15.155 -3.510 -2.059 693 1HZ LYS 95 1HZ LYS 95 15.478 -1.869 -3.705 694 2HZ LYS 95 2HZ LYS 95 16.202 -1.267 -2.290 695 3HZ LYS 95 3HZ LYS 95 14.688 -0.679 -2.791 696 H THR 96 H THR 96 12.151 -2.222 -7.751 697 HA THR 96 HA THR 96 13.065 0.398 -8.464 698 HB THR 96 HB THR 96 11.879 -1.619 -10.355 699 HG1 THR 96 1HG THR 96 14.380 -2.057 -10.337 700 1HG2 THR 96 1HG2 THR 96 13.560 -0.669 -11.891 701 2HG2 THR 96 2HG2 THR 96 14.116 0.408 -10.610 702 3HG2 THR 96 3HG2 THR 96 12.490 0.587 -11.267 703 H THR 97 H THR 97 9.992 -1.342 -8.884 704 HA THR 97 HA THR 97 8.576 0.579 -10.306 705 HB THR 97 HB THR 97 7.434 -1.210 -8.151 706 HG1 THR 97 1HG THR 97 8.821 -2.174 -9.854 707 1HG2 THR 97 1HG2 THR 97 5.447 -1.143 -9.685 708 2HG2 THR 97 2HG2 THR 97 6.285 0.081 -10.640 709 3HG2 THR 97 3HG2 THR 97 5.839 0.420 -8.967 710 H ILE 98 H ILE 98 8.678 0.160 -6.744 711 HA ILE 98 HA ILE 98 7.109 2.468 -6.252 712 HB ILE 98 HB ILE 98 7.593 2.199 -3.964 713 1HG1 ILE 98 2HG1 ILE 98 10.097 0.707 -4.810 714 2HG1 ILE 98 1HG1 ILE 98 10.048 2.298 -4.038 715 1HG2 ILE 98 1HG2 ILE 98 7.130 -0.084 -3.568 716 2HG2 ILE 98 2HG2 ILE 98 8.041 -0.604 -4.983 717 3HG2 ILE 98 3HG2 ILE 98 6.495 0.216 -5.185 718 1HD1 ILE 98 1HD1 ILE 98 10.519 0.734 -2.293 719 2HD1 ILE 98 2HD1 ILE 98 9.268 -0.377 -2.851 720 3HD1 ILE 98 3HD1 ILE 98 8.816 1.159 -2.111 721 H ARG 99 H ARG 99 10.492 1.992 -6.966 722 HA ARG 99 HA ARG 99 11.357 4.434 -5.831 723 1HB ARG 99 2HB ARG 99 12.926 2.608 -6.447 724 2HB ARG 99 1HB ARG 99 12.601 2.932 -8.148 725 1HG ARG 99 2HG ARG 99 14.681 4.044 -7.388 726 2HG ARG 99 1HG ARG 99 13.472 5.211 -7.915 727 1HD ARG 99 2HD ARG 99 13.201 6.070 -5.795 728 2HD ARG 99 1HD ARG 99 13.405 4.514 -5.011 729 HE ARG 99 HE ARG 99 15.482 6.436 -5.582 730 1HH1 ARG 99 1HH2 ARG 99 14.691 3.105 -5.078 731 2HH1 ARG 99 2HH2 ARG 99 16.278 2.667 -4.539 732 1HH2 ARG 99 1HH1 ARG 99 17.566 5.868 -4.879 733 2HH2 ARG 99 2HH1 ARG 99 17.905 4.231 -4.426 734 H ALA 100 H ALA 100 9.714 3.644 -8.745 735 HA ALA 100 HA ALA 100 10.282 6.142 -10.078 736 1HB ALA 100 1HB ALA 100 8.420 5.492 -11.563 737 2HB ALA 100 2HB ALA 100 8.007 4.165 -10.478 738 3HB ALA 100 3HB ALA 100 9.539 4.146 -11.353 739 H TYR 101 H TYR 101 7.847 4.807 -7.902 740 HA TYR 101 HA TYR 101 6.251 7.227 -7.930 741 1HB TYR 101 2HB TYR 101 4.895 5.412 -7.415 742 2HB TYR 101 1HB TYR 101 6.154 4.593 -6.498 743 HD1 TYR 101 1HD TYR 101 4.870 8.087 -6.207 744 HD2 TYR 101 2HD TYR 101 5.223 4.235 -4.349 745 HE1 TYR 101 1HE TYR 101 3.971 9.028 -4.100 746 HE2 TYR 101 2HE TYR 101 4.304 5.167 -2.241 747 HH TYR 101 HH TYR 101 4.158 7.425 -1.146 748 H ASN 102 H ASN 102 8.585 5.678 -5.761 749 HA ASN 102 HA ASN 102 8.456 7.599 -3.699 750 1HB ASN 102 2HB ASN 102 9.542 5.210 -3.718 751 2HB ASN 102 1HB ASN 102 10.972 6.056 -4.311 752 1HD2 ASN 102 1HD2 ASN 102 10.361 8.511 -2.821 753 2HD2 ASN 102 2HD2 ASN 102 10.707 8.180 -1.192 754 H GLN 103 H GLN 103 10.476 7.325 -6.591 755 HA GLN 103 HA GLN 103 12.048 9.660 -5.940 756 1HB GLN 103 2HB GLN 103 12.906 7.761 -7.344 757 2HB GLN 103 1HB GLN 103 11.772 8.252 -8.601 758 1HG GLN 103 2HG GLN 103 12.864 10.324 -8.940 759 2HG GLN 103 1HG GLN 103 13.752 10.204 -7.423 760 1HE2 GLN 103 1HE2 GLN 103 13.348 7.968 -10.239 761 2HE2 GLN 103 2HE2 GLN 103 15.012 7.709 -10.444 762 H LYS 104 H LYS 104 9.376 8.852 -8.112 763 HA LYS 104 HA LYS 104 9.184 11.163 -9.591 764 1HB LYS 104 2HB LYS 104 7.618 9.516 -10.153 765 2HB LYS 104 1HB LYS 104 7.044 9.351 -8.495 766 1HG LYS 104 2HG LYS 104 5.662 11.218 -8.641 767 2HG LYS 104 1HG LYS 104 6.687 12.020 -9.829 768 1HD LYS 104 2HD LYS 104 5.941 10.381 -11.544 769 2HD LYS 104 1HD LYS 104 4.877 9.638 -10.349 770 1HE LYS 104 2HE LYS 104 3.511 11.158 -11.589 771 2HE LYS 104 1HE LYS 104 3.828 11.942 -10.042 772 1HZ LYS 104 1HZ LYS 104 5.924 12.657 -11.668 773 2HZ LYS 104 2HZ LYS 104 4.620 13.641 -11.200 774 3HZ LYS 104 3HZ LYS 104 4.554 12.777 -12.661 775 H TYR 105 H TYR 105 7.916 10.595 -6.326 776 HA TYR 105 HA TYR 105 7.256 13.456 -6.053 777 1HB TYR 105 2HB TYR 105 6.121 10.987 -5.054 778 2HB TYR 105 1HB TYR 105 6.582 11.979 -3.678 779 HD1 TYR 105 1HD TYR 105 5.261 12.875 -7.079 780 HD2 TYR 105 2HD TYR 105 4.648 13.010 -2.837 781 HE1 TYR 105 1HE TYR 105 3.243 14.250 -7.429 782 HE2 TYR 105 2HE TYR 105 2.621 14.398 -3.181 783 HH TYR 105 HH TYR 105 1.953 16.018 -5.920 784 H GLY 106 H GLY 106 9.561 11.072 -5.090 785 1HA GLY 106 2HA GLY 106 10.543 12.005 -2.686 786 2HA GLY 106 1HA GLY 106 11.546 11.280 -3.937 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 -11.393 -30.752 13.902 2 2H ALA 1 2HT ALA 1 -11.050 -32.354 13.454 3 3H ALA 1 3HT ALA 1 -12.651 -31.786 13.426 4 HA ALA 1 HA ALA 1 -10.423 -31.065 11.616 5 1HB ALA 1 1HB ALA 1 -13.227 -32.130 11.156 6 2HB ALA 1 2HB ALA 1 -11.742 -33.076 11.060 7 3HB ALA 1 3HB ALA 1 -12.042 -31.784 9.896 8 H ASP 2 H ASP 2 -11.074 -29.025 13.257 9 HA ASP 2 HA ASP 2 -13.262 -27.447 12.227 10 1HB ASP 2 2HB ASP 2 -10.979 -26.643 14.048 11 2HB ASP 2 1HB ASP 2 -12.464 -25.734 13.775 12 H LEU 3 H LEU 3 -12.764 -25.114 11.560 13 HA LEU 3 HA LEU 3 -10.290 -24.793 10.032 14 1HB LEU 3 2HB LEU 3 -11.605 -24.125 7.994 15 2HB LEU 3 1HB LEU 3 -11.642 -25.848 8.356 16 HG LEU 3 HG LEU 3 -13.820 -24.158 9.560 17 1HD1 LEU 3 1HD1 LEU 3 -13.783 -23.278 7.292 18 2HD1 LEU 3 2HD1 LEU 3 -15.158 -24.368 7.458 19 3HD1 LEU 3 3HD1 LEU 3 -13.702 -24.907 6.623 20 1HD2 LEU 3 1HD2 LEU 3 -13.749 -26.896 8.239 21 2HD2 LEU 3 2HD2 LEU 3 -15.155 -26.184 9.029 22 3HD2 LEU 3 3HD2 LEU 3 -13.726 -26.590 9.975 23 H GLU 4 H GLU 4 -12.957 -23.584 11.759 24 HA GLU 4 HA GLU 4 -12.737 -20.839 10.892 25 1HB GLU 4 2HB GLU 4 -14.145 -22.095 13.258 26 2HB GLU 4 1HB GLU 4 -14.281 -20.399 12.792 27 1HG GLU 4 2HG GLU 4 -15.117 -21.106 10.560 28 2HG GLU 4 1HG GLU 4 -15.047 -22.786 11.087 29 H ASP 5 H ASP 5 -10.434 -22.457 12.165 30 HA ASP 5 HA ASP 5 -9.842 -21.023 14.600 31 1HB ASP 5 2HB ASP 5 -9.060 -23.350 14.189 32 2HB ASP 5 1HB ASP 5 -8.024 -22.744 12.899 33 H ASN 6 H ASN 6 -7.508 -20.048 14.697 34 HA ASN 6 HA ASN 6 -6.666 -18.628 12.318 35 1HB ASN 6 2HB ASN 6 -7.879 -17.121 14.646 36 2HB ASN 6 1HB ASN 6 -6.982 -16.379 13.322 37 1HD2 ASN 6 1HD2 ASN 6 -9.996 -18.091 14.124 38 2HD2 ASN 6 2HD2 ASN 6 -10.807 -17.676 12.692 39 H ASP 7 H ASP 7 -6.443 -17.710 15.737 40 HA ASP 7 HA ASP 7 -3.592 -17.490 15.609 41 1HB ASP 7 2HB ASP 7 -5.446 -17.508 18.002 42 2HB ASP 7 1HB ASP 7 -3.751 -17.024 18.022 43 H GLU 8 H GLU 8 -5.378 -19.366 18.033 44 HA GLU 8 HA GLU 8 -4.256 -21.886 17.313 45 1HB GLU 8 2HB GLU 8 -2.253 -20.606 18.247 46 2HB GLU 8 1HB GLU 8 -3.070 -20.671 19.808 47 1HG GLU 8 2HG GLU 8 -3.173 -23.143 19.634 48 2HG GLU 8 1HG GLU 8 -2.304 -23.058 18.102 49 H THR 9 H THR 9 -5.090 -20.075 20.281 50 HA THR 9 HA THR 9 -7.412 -21.804 20.710 51 HB THR 9 HB THR 9 -6.630 -22.131 23.139 52 HG1 THR 9 1HG THR 9 -4.882 -20.891 23.325 53 1HG2 THR 9 1HG2 THR 9 -5.088 -23.520 20.930 54 2HG2 THR 9 2HG2 THR 9 -6.723 -23.938 21.438 55 3HG2 THR 9 3HG2 THR 9 -5.373 -24.147 22.553 56 H GLY 10 H GLY 10 -5.547 -18.952 21.333 57 1HA GLY 10 2HA GLY 10 -7.494 -17.114 21.585 58 2HA GLY 10 1HA GLY 10 -7.457 -17.810 23.204 59 H ASN 11 H ASN 11 -4.442 -18.302 22.500 60 HA ASN 11 HA ASN 11 -3.507 -15.891 23.808 61 1HB ASN 11 2HB ASN 11 -1.801 -18.118 22.700 62 2HB ASN 11 1HB ASN 11 -1.422 -17.005 24.012 63 1HD2 ASN 11 1HD2 ASN 11 -3.464 -17.118 25.757 64 2HD2 ASN 11 2HD2 ASN 11 -3.798 -18.706 26.255 65 H ASP 12 H ASP 12 -2.517 -14.192 22.887 66 HA ASP 12 HA ASP 12 -2.568 -13.874 20.049 67 1HB ASP 12 2HB ASP 12 -1.183 -12.180 22.142 68 2HB ASP 12 1HB ASP 12 -1.542 -11.699 20.484 69 H ASN 13 H ASN 13 -0.257 -15.099 22.286 70 HA ASN 13 HA ASN 13 2.063 -14.642 20.632 71 1HB ASN 13 2HB ASN 13 1.620 -16.403 23.052 72 2HB ASN 13 1HB ASN 13 3.182 -16.154 22.272 73 1HD2 ASN 13 1HD2 ASN 13 0.483 -13.955 23.246 74 2HD2 ASN 13 2HD2 ASN 13 1.490 -12.860 24.061 75 H GLY 14 H GLY 14 -0.476 -16.921 20.717 76 1HA GLY 14 2HA GLY 14 0.734 -19.283 19.857 77 2HA GLY 14 1HA GLY 14 -0.911 -18.799 19.458 78 H LYS 15 H LYS 15 1.404 -20.066 17.907 79 HA LYS 15 HA LYS 15 0.969 -18.541 15.453 80 1HB LYS 15 2HB LYS 15 3.480 -18.591 14.999 81 2HB LYS 15 1HB LYS 15 2.928 -17.412 16.190 82 1HG LYS 15 2HG LYS 15 3.665 -18.748 18.014 83 2HG LYS 15 1HG LYS 15 3.854 -20.174 16.995 84 1HD LYS 15 2HD LYS 15 6.044 -19.159 17.513 85 2HD LYS 15 1HD LYS 15 5.699 -19.076 15.785 86 1HE LYS 15 2HE LYS 15 5.158 -16.766 15.893 87 2HE LYS 15 1HE LYS 15 5.017 -16.799 17.652 88 1HZ LYS 15 1HZ LYS 15 7.124 -16.143 17.685 89 2HZ LYS 15 2HZ LYS 15 7.332 -16.430 16.023 90 3HZ LYS 15 3HZ LYS 15 7.550 -17.691 17.140 91 H GLY 16 H GLY 16 0.126 -21.133 16.351 92 1HA GLY 16 2HA GLY 16 -0.087 -23.252 15.474 93 2HA GLY 16 1HA GLY 16 0.847 -22.693 14.090 94 H GLY 17 H GLY 17 3.221 -21.958 15.408 95 1HA GLY 17 2HA GLY 17 5.074 -22.805 16.564 96 2HA GLY 17 1HA GLY 17 4.176 -24.285 16.890 97 H GLU 18 H GLU 18 5.350 -22.477 14.039 98 HA GLU 18 HA GLU 18 6.991 -24.639 13.141 99 1HB GLU 18 2HB GLU 18 4.647 -25.450 12.596 100 2HB GLU 18 1HB GLU 18 4.541 -24.109 11.454 101 1HG GLU 18 2HG GLU 18 6.492 -24.936 10.243 102 2HG GLU 18 1HG GLU 18 6.712 -26.224 11.425 103 H LYS 19 H LYS 19 5.651 -21.502 12.886 104 HA LYS 19 HA LYS 19 6.282 -19.612 11.770 105 1HB LYS 19 2HB LYS 19 8.424 -19.421 12.514 106 2HB LYS 19 1HB LYS 19 8.709 -21.129 12.327 107 1HG LYS 19 2HG LYS 19 8.748 -19.362 9.875 108 2HG LYS 19 1HG LYS 19 10.132 -19.398 10.934 109 1HD LYS 19 2HD LYS 19 8.919 -21.854 9.633 110 2HD LYS 19 1HD LYS 19 10.363 -21.020 9.083 111 1HE LYS 19 2HE LYS 19 11.065 -21.426 11.671 112 2HE LYS 19 1HE LYS 19 10.014 -22.824 11.425 113 1HZ LYS 19 1HZ LYS 19 11.307 -23.507 9.574 114 2HZ LYS 19 2HZ LYS 19 12.385 -23.193 10.849 115 3HZ LYS 19 3HZ LYS 19 12.214 -22.073 9.583 116 H ALA 20 H ALA 20 6.556 -18.713 9.719 117 HA ALA 20 HA ALA 20 5.584 -20.388 7.579 118 1HB ALA 20 1HB ALA 20 4.769 -18.110 7.701 119 2HB ALA 20 2HB ALA 20 5.754 -18.259 6.247 120 3HB ALA 20 3HB ALA 20 6.414 -17.474 7.681 121 H ASP 21 H ASP 21 7.000 -19.239 5.370 122 HA ASP 21 HA ASP 21 9.826 -19.691 5.829 123 1HB ASP 21 2HB ASP 21 9.016 -21.994 5.757 124 2HB ASP 21 1HB ASP 21 8.239 -21.690 4.204 125 H ASN 22 H ASN 22 7.987 -20.442 2.898 126 HA ASN 22 HA ASN 22 9.344 -18.189 1.532 127 1HB ASN 22 2HB ASN 22 8.770 -19.587 -0.546 128 2HB ASN 22 1HB ASN 22 10.031 -20.197 0.523 129 1HD2 ASN 22 1HD2 ASN 22 9.125 -22.249 -0.812 130 2HD2 ASN 22 2HD2 ASN 22 7.930 -23.136 0.004 131 H ALA 23 H ALA 23 6.632 -19.980 0.225 132 HA ALA 23 HA ALA 23 5.281 -17.816 -0.801 133 1HB ALA 23 1HB ALA 23 4.051 -20.383 0.229 134 2HB ALA 23 2HB ALA 23 4.759 -20.153 -1.369 135 3HB ALA 23 3HB ALA 23 3.305 -19.265 -0.913 136 H ALA 24 H ALA 24 4.553 -19.449 2.281 137 HA ALA 24 HA ALA 24 2.480 -17.761 3.099 138 1HB ALA 24 1HB ALA 24 3.193 -18.485 5.449 139 2HB ALA 24 2HB ALA 24 4.473 -19.403 4.654 140 3HB ALA 24 3HB ALA 24 2.784 -19.770 4.313 141 H GLN 25 H GLN 25 5.920 -17.599 4.039 142 HA GLN 25 HA GLN 25 5.807 -15.266 5.553 143 1HB GLN 25 2HB GLN 25 7.715 -16.751 5.529 144 2HB GLN 25 1HB GLN 25 8.015 -16.385 3.828 145 1HG GLN 25 2HG GLN 25 8.767 -14.213 4.292 146 2HG GLN 25 1HG GLN 25 7.949 -14.153 5.851 147 1HE2 GLN 25 1HE2 GLN 25 9.907 -16.987 4.900 148 2HE2 GLN 25 2HE2 GLN 25 11.148 -16.693 6.018 149 H VAL 26 H VAL 26 6.730 -15.589 2.121 150 HA VAL 26 HA VAL 26 7.051 -12.880 1.562 151 HB VAL 26 HB VAL 26 6.523 -15.346 -0.048 152 1HG1 VAL 26 1HG1 VAL 26 6.507 -13.919 -2.152 153 2HG1 VAL 26 2HG1 VAL 26 6.127 -12.543 -1.117 154 3HG1 VAL 26 3HG1 VAL 26 5.009 -13.906 -1.217 155 1HG2 VAL 26 1HG2 VAL 26 8.566 -14.508 -1.225 156 2HG2 VAL 26 2HG2 VAL 26 8.815 -14.718 0.505 157 3HG2 VAL 26 3HG2 VAL 26 8.571 -13.105 -0.165 158 H LYS 27 H LYS 27 4.160 -14.874 0.879 159 HA LYS 27 HA LYS 27 2.402 -13.102 -0.110 160 1HB LYS 27 2HB LYS 27 2.017 -15.230 1.970 161 2HB LYS 27 1HB LYS 27 0.647 -14.267 1.415 162 1HG LYS 27 2HG LYS 27 0.868 -15.037 -0.816 163 2HG LYS 27 1HG LYS 27 2.494 -15.653 -0.533 164 1HD LYS 27 2HD LYS 27 0.812 -17.480 -0.616 165 2HD LYS 27 1HD LYS 27 1.605 -17.386 0.957 166 1HE LYS 27 2HE LYS 27 -0.956 -17.633 0.965 167 2HE LYS 27 1HE LYS 27 -0.279 -16.351 1.968 168 1HZ LYS 27 1HZ LYS 27 -1.036 -14.737 0.585 169 2HZ LYS 27 2HZ LYS 27 -2.233 -15.904 0.287 170 3HZ LYS 27 3HZ LYS 27 -0.946 -15.705 -0.803 171 H ASP 28 H ASP 28 2.627 -13.547 3.435 172 HA ASP 28 HA ASP 28 1.093 -11.317 4.125 173 1HB ASP 28 2HB ASP 28 3.402 -12.556 5.643 174 2HB ASP 28 1HB ASP 28 2.206 -11.456 6.327 175 H ALA 29 H ALA 29 4.430 -11.585 3.148 176 HA ALA 29 HA ALA 29 5.246 -8.995 4.035 177 1HB ALA 29 1HB ALA 29 6.689 -11.082 3.374 178 2HB ALA 29 2HB ALA 29 7.300 -9.462 3.038 179 3HB ALA 29 3HB ALA 29 6.578 -10.417 1.745 180 H LEU 30 H LEU 30 3.342 -10.078 1.375 181 HA LEU 30 HA LEU 30 3.978 -7.766 -0.302 182 1HB LEU 30 2HB LEU 30 1.796 -9.842 -0.610 183 2HB LEU 30 1HB LEU 30 2.321 -8.689 -1.834 184 HG LEU 30 HG LEU 30 4.154 -10.766 -0.594 185 1HD1 LEU 30 1HD1 LEU 30 3.793 -12.150 -2.492 186 2HD1 LEU 30 2HD1 LEU 30 2.901 -10.886 -3.338 187 3HD1 LEU 30 3HD1 LEU 30 2.187 -11.684 -1.939 188 1HD2 LEU 30 1HD2 LEU 30 4.405 -8.766 -2.845 189 2HD2 LEU 30 2HD2 LEU 30 5.395 -10.224 -2.823 190 3HD2 LEU 30 3HD2 LEU 30 5.512 -9.063 -1.506 191 H THR 31 H THR 31 1.451 -8.899 1.869 192 HA THR 31 HA THR 31 -0.400 -6.822 1.323 193 HB THR 31 HB THR 31 -1.501 -7.511 3.364 194 HG1 THR 31 1HG THR 31 -0.473 -8.590 4.895 195 1HG2 THR 31 1HG2 THR 31 -1.739 -8.937 1.411 196 2HG2 THR 31 2HG2 THR 31 -1.691 -9.934 2.867 197 3HG2 THR 31 3HG2 THR 31 -0.261 -9.808 1.834 198 H LYS 32 H LYS 32 2.500 -7.020 3.216 199 HA LYS 32 HA LYS 32 2.127 -4.973 5.063 200 1HB LYS 32 2HB LYS 32 4.182 -6.460 4.796 201 2HB LYS 32 1HB LYS 32 4.677 -5.408 3.475 202 1HG LYS 32 2HG LYS 32 3.972 -4.056 6.062 203 2HG LYS 32 1HG LYS 32 5.459 -4.994 6.043 204 1HD LYS 32 2HD LYS 32 6.260 -3.725 4.094 205 2HD LYS 32 1HD LYS 32 4.766 -2.789 4.076 206 1HE LYS 32 2HE LYS 32 6.737 -1.675 5.237 207 2HE LYS 32 1HE LYS 32 5.260 -1.790 6.195 208 1HZ LYS 32 1HZ LYS 32 7.593 -2.561 7.118 209 2HZ LYS 32 2HZ LYS 32 7.145 -4.012 6.357 210 3HZ LYS 32 3HZ LYS 32 6.153 -3.339 7.561 211 H MET 33 H MET 33 3.677 -4.675 1.857 212 HA MET 33 HA MET 33 3.684 -1.924 1.627 213 1HB MET 33 2HB MET 33 2.951 -3.587 -0.763 214 2HB MET 33 1HB MET 33 4.135 -2.286 -0.627 215 1HG MET 33 2HG MET 33 4.384 -5.136 0.363 216 2HG MET 33 1HG MET 33 5.393 -4.304 -0.796 217 1HE MET 33 1HE MET 33 7.340 -5.111 0.216 218 2HE MET 33 2HE MET 33 6.864 -5.796 1.767 219 3HE MET 33 3HE MET 33 8.103 -4.547 1.708 220 H ARG 34 H ARG 34 1.204 -4.038 0.127 221 HA ARG 34 HA ARG 34 -0.695 -2.253 -0.607 222 1HB ARG 34 2HB ARG 34 -0.863 -4.767 -0.718 223 2HB ARG 34 1HB ARG 34 -1.372 -4.740 0.963 224 1HG ARG 34 2HG ARG 34 -3.271 -3.305 0.404 225 2HG ARG 34 1HG ARG 34 -2.757 -3.253 -1.285 226 1HD ARG 34 2HD ARG 34 -3.181 -5.590 -1.578 227 2HD ARG 34 1HD ARG 34 -3.350 -5.848 0.158 228 HE ARG 34 HE ARG 34 -5.297 -3.982 -0.641 229 1HH1 ARG 34 1HH2 ARG 34 -4.419 -7.301 -1.097 230 2HH1 ARG 34 2HH2 ARG 34 -6.044 -7.836 -1.365 231 1HH2 ARG 34 1HH1 ARG 34 -7.427 -4.679 -0.993 232 2HH2 ARG 34 2HH1 ARG 34 -7.746 -6.352 -1.307 233 H ALA 35 H ALA 35 -1.138 -3.892 2.520 234 HA ALA 35 HA ALA 35 -2.988 -2.194 3.617 235 1HB ALA 35 1HB ALA 35 -0.729 -3.543 5.113 236 2HB ALA 35 2HB ALA 35 -2.252 -4.306 4.655 237 3HB ALA 35 3HB ALA 35 -2.247 -2.976 5.813 238 H ALA 36 H ALA 36 0.432 -1.610 3.255 239 HA ALA 36 HA ALA 36 0.448 0.675 5.048 240 1HB ALA 36 1HB ALA 36 2.763 0.881 4.518 241 2HB ALA 36 2HB ALA 36 2.591 -0.106 3.068 242 3HB ALA 36 3HB ALA 36 2.441 -0.846 4.661 243 H ALA 37 H ALA 37 0.059 0.010 1.655 244 HA ALA 37 HA ALA 37 0.548 2.642 0.693 245 1HB ALA 37 1HB ALA 37 0.539 0.658 -0.784 246 2HB ALA 37 2HB ALA 37 -0.602 1.885 -1.337 247 3HB ALA 37 3HB ALA 37 -1.187 0.455 -0.487 248 H LEU 38 H LEU 38 -2.360 0.860 1.672 249 HA LEU 38 HA LEU 38 -4.173 3.006 1.136 250 1HB LEU 38 2HB LEU 38 -4.479 0.699 3.073 251 2HB LEU 38 1HB LEU 38 -5.781 1.709 2.447 252 HG LEU 38 HG LEU 38 -3.942 0.143 0.623 253 1HD1 LEU 38 1HD1 LEU 38 -5.009 -1.465 2.118 254 2HD1 LEU 38 2HD1 LEU 38 -5.756 -1.562 0.523 255 3HD1 LEU 38 3HD1 LEU 38 -6.583 -0.722 1.834 256 1HD2 LEU 38 1HD2 LEU 38 -6.633 1.505 0.321 257 2HD2 LEU 38 2HD2 LEU 38 -6.050 0.316 -0.841 258 3HD2 LEU 38 3HD2 LEU 38 -5.151 1.808 -0.585 259 H ASP 39 H ASP 39 -2.621 1.823 4.093 260 HA ASP 39 HA ASP 39 -3.718 3.661 5.889 261 1HB ASP 39 2HB ASP 39 -2.509 1.706 6.652 262 2HB ASP 39 1HB ASP 39 -1.025 2.287 5.901 263 H ALA 40 H ALA 40 -0.593 3.803 4.172 264 HA ALA 40 HA ALA 40 0.206 6.328 5.084 265 1HB ALA 40 1HB ALA 40 1.550 6.346 2.901 266 2HB ALA 40 2HB ALA 40 0.818 4.780 2.570 267 3HB ALA 40 3HB ALA 40 1.833 4.995 3.995 268 H GLN 41 H GLN 41 -1.504 5.446 2.091 269 HA GLN 41 HA GLN 41 -1.778 7.761 0.772 270 1HB GLN 41 2HB GLN 41 -2.839 6.030 -0.292 271 2HB GLN 41 1HB GLN 41 -3.445 5.361 1.223 272 1HG GLN 41 2HG GLN 41 -5.243 7.000 1.287 273 2HG GLN 41 1HG GLN 41 -4.592 7.818 -0.142 274 1HE2 GLN 41 1HE2 GLN 41 -3.905 4.677 -0.744 275 2HE2 GLN 41 2HE2 GLN 41 -5.325 4.202 -1.559 276 H LYS 42 H LYS 42 -3.872 6.788 3.513 277 HA LYS 42 HA LYS 42 -4.212 9.597 4.233 278 1HB LYS 42 2HB LYS 42 -6.497 7.960 3.127 279 2HB LYS 42 1HB LYS 42 -6.763 9.351 4.175 280 1HG LYS 42 2HG LYS 42 -5.317 10.690 2.530 281 2HG LYS 42 1HG LYS 42 -5.451 9.313 1.443 282 1HD LYS 42 2HD LYS 42 -7.943 10.536 2.625 283 2HD LYS 42 1HD LYS 42 -7.169 11.277 1.228 284 1HE LYS 42 2HE LYS 42 -7.493 9.356 -0.119 285 2HE LYS 42 1HE LYS 42 -7.837 8.332 1.273 286 1HZ LYS 42 1HZ LYS 42 -9.608 10.563 1.123 287 2HZ LYS 42 2HZ LYS 42 -9.966 8.906 1.230 288 3HZ LYS 42 3HZ LYS 42 -9.676 9.620 -0.284 289 H ALA 43 H ALA 43 -3.015 8.157 5.932 290 HA ALA 43 HA ALA 43 -4.882 7.866 8.122 291 1HB ALA 43 1HB ALA 43 -3.232 5.402 7.721 292 2HB ALA 43 2HB ALA 43 -4.671 5.601 6.724 293 3HB ALA 43 3HB ALA 43 -4.812 5.593 8.479 294 H THR 44 H THR 44 -1.605 6.923 7.098 295 HA THR 44 HA THR 44 -0.503 8.056 9.596 296 HB THR 44 HB THR 44 0.599 6.006 7.668 297 HG1 THR 44 1HG THR 44 0.305 5.357 10.288 298 1HG2 THR 44 1HG2 THR 44 2.548 6.989 8.474 299 2HG2 THR 44 2HG2 THR 44 2.243 5.784 9.721 300 3HG2 THR 44 3HG2 THR 44 1.802 7.467 10.001 301 HA PRO 45 HA PRO 45 0.333 11.309 6.259 302 1HB PRO 45 2HB PRO 45 1.300 12.335 8.920 303 2HB PRO 45 1HB PRO 45 0.603 13.243 7.560 304 1HG PRO 45 2HG PRO 45 -0.902 12.563 9.641 305 2HG PRO 45 1HG PRO 45 -1.548 12.504 7.991 306 1HD PRO 45 2HD PRO 45 -0.876 10.258 9.802 307 2HD PRO 45 1HD PRO 45 -1.946 10.267 8.385 308 HA PRO 46 HA PRO 46 4.588 9.565 6.509 309 1HB PRO 46 2HB PRO 46 4.896 8.848 3.952 310 2HB PRO 46 1HB PRO 46 3.797 7.947 5.015 311 1HG PRO 46 2HG PRO 46 3.144 10.019 2.960 312 2HG PRO 46 1HG PRO 46 2.334 8.492 3.301 313 1HD PRO 46 2HD PRO 46 1.498 10.971 4.274 314 2HD PRO 46 1HD PRO 46 1.047 9.405 4.988 315 H LYS 47 H LYS 47 4.836 10.494 3.246 316 HA LYS 47 HA LYS 47 6.811 12.504 3.837 317 1HB LYS 47 2HB LYS 47 5.624 11.591 1.205 318 2HB LYS 47 1HB LYS 47 7.041 12.625 1.383 319 1HG LYS 47 2HG LYS 47 8.384 10.895 2.186 320 2HG LYS 47 1HG LYS 47 7.017 9.978 2.814 321 1HD LYS 47 2HD LYS 47 7.947 8.865 0.836 322 2HD LYS 47 1HD LYS 47 6.318 9.452 0.495 323 1HE LYS 47 2HE LYS 47 7.243 11.433 -0.622 324 2HE LYS 47 1HE LYS 47 8.881 10.898 -0.242 325 1HZ LYS 47 1HZ LYS 47 7.149 10.063 -2.347 326 2HZ LYS 47 2HZ LYS 47 7.705 8.739 -1.438 327 3HZ LYS 47 3HZ LYS 47 8.815 9.807 -2.158 328 H LEU 48 H LEU 48 3.433 12.458 3.277 329 HA LEU 48 HA LEU 48 3.243 15.138 2.197 330 1HB LEU 48 2HB LEU 48 0.963 13.688 3.534 331 2HB LEU 48 1HB LEU 48 0.920 14.823 2.181 332 HG LEU 48 HG LEU 48 2.138 12.037 2.083 333 1HD1 LEU 48 1HD1 LEU 48 -0.395 12.190 2.302 334 2HD1 LEU 48 2HD1 LEU 48 0.204 11.350 0.872 335 3HD1 LEU 48 3HD1 LEU 48 -0.390 13.003 0.739 336 1HD2 LEU 48 1HD2 LEU 48 1.986 12.578 -0.439 337 2HD2 LEU 48 2HD2 LEU 48 3.264 13.376 0.477 338 3HD2 LEU 48 3HD2 LEU 48 1.796 14.260 0.061 339 H GLU 49 H GLU 49 4.616 14.580 4.851 340 HA GLU 49 HA GLU 49 3.215 15.476 7.046 341 1HB GLU 49 2HB GLU 49 5.659 14.758 6.929 342 2HB GLU 49 1HB GLU 49 6.018 16.409 6.421 343 1HG GLU 49 2HG GLU 49 6.298 16.360 8.800 344 2HG GLU 49 1HG GLU 49 4.779 17.199 8.492 345 H ASP 50 H ASP 50 4.211 17.248 4.234 346 HA ASP 50 HA ASP 50 2.626 19.530 5.041 347 1HB ASP 50 2HB ASP 50 4.503 21.147 4.751 348 2HB ASP 50 1HB ASP 50 4.694 20.108 6.162 349 H LYS 51 H LYS 51 2.311 17.722 2.941 350 HA LYS 51 HA LYS 51 2.672 19.505 0.617 351 1HB LYS 51 2HB LYS 51 3.100 16.534 0.317 352 2HB LYS 51 1HB LYS 51 3.561 17.840 -0.776 353 1HG LYS 51 2HG LYS 51 5.074 18.618 1.227 354 2HG LYS 51 1HG LYS 51 4.874 16.962 1.789 355 1HD LYS 51 2HD LYS 51 6.012 17.854 -0.876 356 2HD LYS 51 1HD LYS 51 6.888 17.075 0.440 357 1HE LYS 51 2HE LYS 51 4.714 15.861 -1.286 358 2HE LYS 51 1HE LYS 51 6.405 15.373 -1.193 359 1HZ LYS 51 1HZ LYS 51 5.792 15.101 1.327 360 2HZ LYS 51 2HZ LYS 51 5.477 13.864 0.206 361 3HZ LYS 51 3HZ LYS 51 4.227 14.903 0.703 362 H SER 52 H SER 52 0.368 19.384 1.994 363 HA SER 52 HA SER 52 -1.503 17.459 1.566 364 1HB SER 52 2HB SER 52 -1.520 20.055 2.499 365 2HB SER 52 1HB SER 52 -2.599 20.157 1.114 366 HG SER 52 HG SER 52 -3.697 19.530 3.016 367 HA PRO 53 HA PRO 53 -2.865 17.137 -2.600 368 1HB PRO 53 2HB PRO 53 -5.460 18.548 -2.167 369 2HB PRO 53 1HB PRO 53 -5.157 16.893 -2.730 370 1HG PRO 53 2HG PRO 53 -6.061 17.374 -0.270 371 2HG PRO 53 1HG PRO 53 -4.901 16.070 -0.590 372 1HD PRO 53 2HD PRO 53 -4.407 18.778 0.613 373 2HD PRO 53 1HD PRO 53 -3.702 17.203 1.042 374 H ASP 54 H ASP 54 -1.432 19.597 -1.987 375 HA ASP 54 HA ASP 54 -2.577 21.555 -3.884 376 1HB ASP 54 2HB ASP 54 -1.987 22.372 -1.635 377 2HB ASP 54 1HB ASP 54 -0.322 21.852 -1.890 378 H SER 55 H SER 55 0.624 20.327 -2.948 379 HA SER 55 HA SER 55 1.817 20.990 -5.481 380 1HB SER 55 2HB SER 55 3.229 19.125 -3.648 381 2HB SER 55 1HB SER 55 3.787 20.648 -4.342 382 HG SER 55 HG SER 55 3.166 20.370 -1.936 383 HA PRO 56 HA PRO 56 1.649 17.151 -7.723 384 1HB PRO 56 2HB PRO 56 4.417 16.281 -6.974 385 2HB PRO 56 1HB PRO 56 3.712 16.518 -8.584 386 1HG PRO 56 2HG PRO 56 5.436 18.268 -7.615 387 2HG PRO 56 1HG PRO 56 4.011 18.817 -8.521 388 1HD PRO 56 2HD PRO 56 4.466 18.808 -5.552 389 2HD PRO 56 1HD PRO 56 3.716 20.063 -6.570 390 H GLU 57 H GLU 57 0.776 17.051 -5.011 391 HA GLU 57 HA GLU 57 1.659 14.610 -3.772 392 1HB GLU 57 2HB GLU 57 0.838 16.306 -2.309 393 2HB GLU 57 1HB GLU 57 -0.645 16.499 -3.238 394 1HG GLU 57 2HG GLU 57 -1.435 14.309 -2.559 395 2HG GLU 57 1HG GLU 57 0.117 13.924 -1.821 396 H MET 58 H MET 58 -1.626 15.510 -4.710 397 HA MET 58 HA MET 58 -2.744 13.019 -4.884 398 1HB MET 58 2HB MET 58 -3.362 15.180 -6.892 399 2HB MET 58 1HB MET 58 -4.432 13.937 -6.241 400 1HG MET 58 2HG MET 58 -4.203 14.967 -3.978 401 2HG MET 58 1HG MET 58 -3.231 16.264 -4.685 402 1HE MET 58 1HE MET 58 -6.443 14.223 -5.063 403 2HE MET 58 2HE MET 58 -7.705 15.453 -5.046 404 3HE MET 58 3HE MET 58 -6.692 15.220 -3.624 405 H LYS 59 H LYS 59 -0.664 14.582 -7.328 406 HA LYS 59 HA LYS 59 -1.248 12.554 -9.287 407 1HB LYS 59 2HB LYS 59 0.301 13.621 -10.678 408 2HB LYS 59 1HB LYS 59 -0.351 14.929 -9.713 409 1HG LYS 59 2HG LYS 59 1.869 15.434 -9.439 410 2HG LYS 59 1HG LYS 59 1.745 14.253 -8.153 411 1HD LYS 59 2HD LYS 59 3.616 13.455 -9.297 412 2HD LYS 59 1HD LYS 59 2.333 12.522 -10.067 413 1HE LYS 59 2HE LYS 59 2.209 14.238 -11.871 414 2HE LYS 59 1HE LYS 59 3.555 15.092 -11.119 415 1HZ LYS 59 1HZ LYS 59 4.001 12.271 -11.571 416 2HZ LYS 59 2HZ LYS 59 5.026 13.596 -11.857 417 3HZ LYS 59 3HZ LYS 59 3.822 13.190 -12.985 418 H ASP 60 H ASP 60 0.945 12.897 -6.636 419 HA ASP 60 HA ASP 60 2.579 10.612 -7.402 420 1HB ASP 60 2HB ASP 60 3.521 12.598 -6.228 421 2HB ASP 60 1HB ASP 60 2.549 12.178 -4.818 422 H PHE 61 H PHE 61 0.036 11.427 -5.080 423 HA PHE 61 HA PHE 61 0.083 8.880 -3.768 424 1HB PHE 61 2HB PHE 61 -0.929 10.441 -2.361 425 2HB PHE 61 1HB PHE 61 -1.702 11.298 -3.691 426 HD1 PHE 61 1HD PHE 61 -3.990 11.324 -3.078 427 HD2 PHE 61 2HD PHE 61 -1.812 7.628 -2.919 428 HE1 PHE 61 1HE PHE 61 -6.108 10.097 -2.722 429 HE2 PHE 61 2HE PHE 61 -3.932 6.400 -2.562 430 HZ PHE 61 HZ PHE 61 -6.082 7.635 -2.466 431 H ARG 62 H ARG 62 -2.433 10.405 -5.784 432 HA ARG 62 HA ARG 62 -3.979 8.235 -6.328 433 1HB ARG 62 2HB ARG 62 -3.199 10.262 -8.437 434 2HB ARG 62 1HB ARG 62 -4.672 9.301 -8.385 435 1HG ARG 62 2HG ARG 62 -4.039 11.081 -6.034 436 2HG ARG 62 1HG ARG 62 -4.681 11.808 -7.503 437 1HD ARG 62 2HD ARG 62 -6.001 9.417 -6.237 438 2HD ARG 62 1HD ARG 62 -6.332 11.056 -5.678 439 HE ARG 62 HE ARG 62 -7.290 9.858 -8.107 440 1HH1 ARG 62 1HH2 ARG 62 -6.250 12.798 -6.610 441 2HH1 ARG 62 2HH2 ARG 62 -7.177 13.822 -7.657 442 1HH2 ARG 62 1HH1 ARG 62 -8.511 11.194 -9.483 443 2HH2 ARG 62 2HH1 ARG 62 -8.457 12.912 -9.283 444 H HIS 63 H HIS 63 -0.930 9.082 -8.016 445 HA HIS 63 HA HIS 63 -1.125 6.689 -9.645 446 1HB HIS 63 2HB HIS 63 0.027 8.865 -10.329 447 2HB HIS 63 1HB HIS 63 1.346 8.375 -9.268 448 HD1 HIS 63 1HD HIS 63 -0.505 5.708 -11.091 449 HD2 HIS 63 2HD HIS 63 3.001 7.908 -11.587 450 HE1 HIS 63 1HE HIS 63 0.826 4.537 -12.900 451 HE2 HIS 63 2HE HIS 63 2.967 5.867 -13.213 452 H GLY 64 H GLY 64 1.186 7.822 -7.183 453 1HA GLY 64 2HA GLY 64 2.777 5.661 -6.851 454 2HA GLY 64 1HA GLY 64 2.242 6.628 -5.491 455 H PHE 65 H PHE 65 -0.564 5.934 -5.637 456 HA PHE 65 HA PHE 65 -0.385 3.376 -4.295 457 1HB PHE 65 2HB PHE 65 -2.179 4.230 -3.195 458 2HB PHE 65 1HB PHE 65 -2.313 5.550 -4.343 459 HD1 PHE 65 1HD PHE 65 -3.409 4.883 -6.673 460 HD2 PHE 65 2HD PHE 65 -3.939 2.685 -3.038 461 HE1 PHE 65 1HE PHE 65 -5.429 3.887 -7.606 462 HE2 PHE 65 2HE PHE 65 -6.005 1.675 -3.975 463 HZ PHE 65 HZ PHE 65 -6.737 2.289 -6.265 464 H ASP 66 H ASP 66 -1.387 4.585 -7.421 465 HA ASP 66 HA ASP 66 -2.635 2.191 -8.327 466 1HB ASP 66 2HB ASP 66 -3.009 4.376 -9.419 467 2HB ASP 66 1HB ASP 66 -1.317 4.418 -9.919 468 H ILE 67 H ILE 67 0.630 3.430 -8.229 469 HA ILE 67 HA ILE 67 1.839 1.529 -9.962 470 HB ILE 67 HB ILE 67 2.966 3.227 -7.711 471 1HG1 ILE 67 2HG1 ILE 67 2.970 3.517 -10.734 472 2HG1 ILE 67 1HG1 ILE 67 1.969 4.430 -9.610 473 1HG2 ILE 67 1HG2 ILE 67 4.361 1.547 -9.834 474 2HG2 ILE 67 2HG2 ILE 67 4.469 1.331 -8.086 475 3HG2 ILE 67 3HG2 ILE 67 5.176 2.755 -8.842 476 1HD1 ILE 67 1HD1 ILE 67 4.300 5.037 -8.504 477 2HD1 ILE 67 2HD1 ILE 67 3.736 5.913 -9.926 478 3HD1 ILE 67 3HD1 ILE 67 4.922 4.620 -10.101 479 H LEU 68 H LEU 68 1.893 1.811 -6.429 480 HA LEU 68 HA LEU 68 3.154 -0.604 -5.880 481 1HB LEU 68 2HB LEU 68 1.578 1.373 -4.382 482 2HB LEU 68 1HB LEU 68 1.534 -0.242 -3.677 483 HG LEU 68 HG LEU 68 4.062 -0.296 -3.811 484 1HD1 LEU 68 1HD1 LEU 68 3.841 2.678 -4.323 485 2HD1 LEU 68 2HD1 LEU 68 4.135 1.513 -5.612 486 3HD1 LEU 68 3HD1 LEU 68 5.302 1.689 -4.303 487 1HD2 LEU 68 1HD2 LEU 68 2.756 1.903 -2.190 488 2HD2 LEU 68 2HD2 LEU 68 4.418 1.369 -1.958 489 3HD2 LEU 68 3HD2 LEU 68 3.090 0.246 -1.684 490 H VAL 69 H VAL 69 -0.401 -0.032 -5.824 491 HA VAL 69 HA VAL 69 -1.128 -2.661 -5.235 492 HB VAL 69 HB VAL 69 -3.313 -2.156 -6.129 493 1HG1 VAL 69 1HG1 VAL 69 -3.516 0.313 -5.151 494 2HG1 VAL 69 2HG1 VAL 69 -1.867 0.001 -4.615 495 3HG1 VAL 69 3HG1 VAL 69 -3.176 -1.051 -4.085 496 1HG2 VAL 69 1HG2 VAL 69 -2.797 -1.221 -8.263 497 2HG2 VAL 69 2HG2 VAL 69 -1.853 0.078 -7.538 498 3HG2 VAL 69 3HG2 VAL 69 -3.606 0.057 -7.358 499 H GLY 70 H GLY 70 -0.007 -1.284 -8.236 500 1HA GLY 70 2HA GLY 70 -0.919 -3.461 -9.894 501 2HA GLY 70 1HA GLY 70 0.190 -2.179 -10.370 502 H GLN 71 H GLN 71 2.001 -2.637 -8.131 503 HA GLN 71 HA GLN 71 3.556 -4.794 -9.304 504 1HB GLN 71 2HB GLN 71 4.132 -2.970 -6.955 505 2HB GLN 71 1HB GLN 71 5.277 -4.082 -7.701 506 1HG GLN 71 2HG GLN 71 5.203 -2.888 -9.780 507 2HG GLN 71 1HG GLN 71 3.858 -1.901 -9.222 508 1HE2 GLN 71 1HE2 GLN 71 4.745 -1.171 -6.651 509 2HE2 GLN 71 2HE2 GLN 71 6.162 -0.252 -6.796 510 H ILE 72 H ILE 72 2.133 -3.993 -6.168 511 HA ILE 72 HA ILE 72 2.790 -6.128 -4.601 512 HB ILE 72 HB ILE 72 0.288 -4.497 -4.909 513 1HG1 ILE 72 2HG1 ILE 72 1.880 -4.887 -2.382 514 2HG1 ILE 72 1HG1 ILE 72 2.540 -3.886 -3.673 515 1HG2 ILE 72 1HG2 ILE 72 -0.612 -5.629 -2.832 516 2HG2 ILE 72 2HG2 ILE 72 0.576 -6.904 -3.090 517 3HG2 ILE 72 3HG2 ILE 72 -0.684 -6.612 -4.290 518 1HD1 ILE 72 1HD1 ILE 72 -0.241 -3.486 -2.551 519 2HD1 ILE 72 2HD1 ILE 72 0.656 -2.405 -3.611 520 3HD1 ILE 72 3HD1 ILE 72 1.175 -2.632 -1.943 521 H ASP 73 H ASP 73 0.134 -6.039 -6.974 522 HA ASP 73 HA ASP 73 -0.623 -8.754 -6.670 523 1HB ASP 73 2HB ASP 73 -2.030 -6.999 -7.764 524 2HB ASP 73 1HB ASP 73 -0.913 -7.009 -9.129 525 H ASP 74 H ASP 74 1.291 -7.133 -9.211 526 HA ASP 74 HA ASP 74 2.110 -9.237 -10.732 527 1HB ASP 74 2HB ASP 74 2.760 -6.753 -10.906 528 2HB ASP 74 1HB ASP 74 4.085 -7.152 -9.813 529 H ALA 75 H ALA 75 3.176 -8.399 -7.500 530 HA ALA 75 HA ALA 75 5.429 -10.117 -7.393 531 1HB ALA 75 1HB ALA 75 5.491 -9.644 -5.086 532 2HB ALA 75 2HB ALA 75 3.751 -9.369 -5.005 533 3HB ALA 75 3HB ALA 75 4.794 -8.191 -5.800 534 H LEU 76 H LEU 76 2.344 -10.513 -5.631 535 HA LEU 76 HA LEU 76 2.638 -13.224 -5.051 536 1HB LEU 76 2HB LEU 76 0.860 -11.843 -4.069 537 2HB LEU 76 1HB LEU 76 0.088 -11.709 -5.645 538 HG LEU 76 HG LEU 76 0.534 -14.542 -5.073 539 1HD1 LEU 76 1HD1 LEU 76 -1.162 -13.144 -2.986 540 2HD1 LEU 76 2HD1 LEU 76 0.489 -13.686 -2.684 541 3HD1 LEU 76 3HD1 LEU 76 -0.765 -14.860 -3.082 542 1HD2 LEU 76 1HD2 LEU 76 -1.188 -13.595 -6.601 543 2HD2 LEU 76 2HD2 LEU 76 -2.035 -12.921 -5.208 544 3HD2 LEU 76 3HD2 LEU 76 -1.893 -14.669 -5.394 545 H LYS 77 H LYS 77 1.076 -11.660 -7.806 546 HA LYS 77 HA LYS 77 0.064 -13.686 -9.302 547 1HB LYS 77 2HB LYS 77 0.237 -11.207 -9.832 548 2HB LYS 77 1HB LYS 77 1.862 -11.520 -10.416 549 1HG LYS 77 2HG LYS 77 -0.504 -13.079 -11.462 550 2HG LYS 77 1HG LYS 77 -0.110 -11.499 -12.117 551 1HD LYS 77 2HD LYS 77 1.485 -12.421 -13.449 552 2HD LYS 77 1HD LYS 77 2.354 -13.001 -12.033 553 1HE LYS 77 2HE LYS 77 1.892 -14.949 -13.301 554 2HE LYS 77 1HE LYS 77 0.667 -14.962 -12.028 555 1HZ LYS 77 1HZ LYS 77 -0.235 -13.450 -14.239 556 2HZ LYS 77 2HZ LYS 77 -0.920 -14.843 -13.546 557 3HZ LYS 77 3HZ LYS 77 0.255 -14.986 -14.766 558 H LEU 78 H LEU 78 3.476 -12.698 -9.259 559 HA LEU 78 HA LEU 78 4.450 -14.687 -10.980 560 1HB LEU 78 2HB LEU 78 5.602 -12.566 -9.899 561 2HB LEU 78 1HB LEU 78 6.114 -13.717 -8.673 562 HG LEU 78 HG LEU 78 7.858 -13.614 -10.327 563 1HD1 LEU 78 1HD1 LEU 78 6.291 -16.116 -10.982 564 2HD1 LEU 78 2HD1 LEU 78 7.114 -15.879 -9.439 565 3HD1 LEU 78 3HD1 LEU 78 8.040 -15.911 -10.939 566 1HD2 LEU 78 1HD2 LEU 78 6.104 -14.544 -12.580 567 2HD2 LEU 78 2HD2 LEU 78 7.569 -13.570 -12.621 568 3HD2 LEU 78 3HD2 LEU 78 6.043 -12.834 -12.148 569 H ALA 79 H ALA 79 4.686 -14.646 -7.411 570 HA ALA 79 HA ALA 79 5.506 -17.338 -7.104 571 1HB ALA 79 1HB ALA 79 5.668 -15.674 -5.294 572 2HB ALA 79 2HB ALA 79 4.746 -17.079 -4.770 573 3HB ALA 79 3HB ALA 79 3.911 -15.588 -5.204 574 H ASN 80 H ASN 80 2.470 -15.946 -7.873 575 HA ASN 80 HA ASN 80 0.861 -18.177 -6.974 576 1HB ASN 80 2HB ASN 80 0.091 -15.737 -7.140 577 2HB ASN 80 1HB ASN 80 0.013 -15.997 -8.882 578 1HD2 ASN 80 1HD2 ASN 80 -2.338 -15.438 -7.345 579 2HD2 ASN 80 2HD2 ASN 80 -3.318 -16.824 -7.348 580 H GLU 81 H GLU 81 2.742 -17.279 -9.655 581 HA GLU 81 HA GLU 81 1.379 -18.934 -11.606 582 1HB GLU 81 2HB GLU 81 2.658 -16.770 -12.095 583 2HB GLU 81 1HB GLU 81 4.127 -17.715 -11.877 584 1HG GLU 81 2HG GLU 81 3.635 -17.763 -14.222 585 2HG GLU 81 1HG GLU 81 3.197 -19.347 -13.587 586 H GLY 82 H GLY 82 4.594 -18.970 -9.987 587 1HA GLY 82 2HA GLY 82 4.530 -21.902 -10.095 588 2HA GLY 82 1HA GLY 82 5.860 -21.081 -10.900 589 H LYS 83 H LYS 83 7.429 -20.002 -9.651 590 HA LYS 83 HA LYS 83 7.555 -20.973 -6.872 591 1HB LYS 83 2HB LYS 83 9.252 -21.776 -8.470 592 2HB LYS 83 1HB LYS 83 9.760 -20.123 -8.738 593 1HG LYS 83 2HG LYS 83 11.274 -21.198 -7.150 594 2HG LYS 83 1HG LYS 83 10.389 -19.909 -6.362 595 1HD LYS 83 2HD LYS 83 10.624 -22.059 -5.030 596 2HD LYS 83 1HD LYS 83 8.981 -21.467 -5.190 597 1HE LYS 83 2HE LYS 83 8.420 -23.139 -6.778 598 2HE LYS 83 1HE LYS 83 10.115 -23.477 -7.139 599 1HZ LYS 83 1HZ LYS 83 8.971 -25.141 -5.691 600 2HZ LYS 83 2HZ LYS 83 8.900 -23.952 -4.480 601 3HZ LYS 83 3HZ LYS 83 10.404 -24.498 -5.050 602 H VAL 84 H VAL 84 8.221 -19.774 -5.175 603 HA VAL 84 HA VAL 84 7.599 -16.985 -5.177 604 HB VAL 84 HB VAL 84 8.905 -18.760 -3.098 605 1HG1 VAL 84 1HG1 VAL 84 8.060 -15.861 -3.050 606 2HG1 VAL 84 2HG1 VAL 84 9.589 -16.568 -2.527 607 3HG1 VAL 84 3HG1 VAL 84 8.130 -16.817 -1.568 608 1HG2 VAL 84 1HG2 VAL 84 6.412 -19.064 -3.883 609 2HG2 VAL 84 2HG2 VAL 84 6.130 -17.581 -2.969 610 3HG2 VAL 84 3HG2 VAL 84 6.769 -19.009 -2.158 611 H LYS 85 H LYS 85 10.602 -18.862 -4.940 612 HA LYS 85 HA LYS 85 12.485 -16.933 -4.478 613 1HB LYS 85 2HB LYS 85 12.720 -19.169 -6.507 614 2HB LYS 85 1HB LYS 85 14.061 -18.315 -5.751 615 1HG LYS 85 2HG LYS 85 11.981 -19.701 -4.056 616 2HG LYS 85 1HG LYS 85 13.315 -20.614 -4.754 617 1HD LYS 85 2HD LYS 85 14.903 -18.959 -3.693 618 2HD LYS 85 1HD LYS 85 13.517 -18.257 -2.859 619 1HE LYS 85 2HE LYS 85 13.036 -20.400 -1.784 620 2HE LYS 85 1HE LYS 85 14.354 -21.165 -2.672 621 1HZ LYS 85 1HZ LYS 85 14.447 -19.421 -0.362 622 2HZ LYS 85 2HZ LYS 85 15.611 -19.094 -1.554 623 3HZ LYS 85 3HZ LYS 85 15.524 -20.638 -0.849 624 H GLU 86 H GLU 86 10.778 -17.586 -7.486 625 HA GLU 86 HA GLU 86 12.322 -15.711 -9.046 626 1HB GLU 86 2HB GLU 86 9.626 -16.982 -9.603 627 2HB GLU 86 1HB GLU 86 10.600 -16.089 -10.772 628 1HG GLU 86 2HG GLU 86 12.425 -17.726 -10.501 629 2HG GLU 86 1HG GLU 86 11.446 -18.613 -9.337 630 H ALA 87 H ALA 87 9.489 -15.719 -7.092 631 HA ALA 87 HA ALA 87 8.554 -13.107 -7.926 632 1HB ALA 87 1HB ALA 87 7.112 -15.037 -7.012 633 2HB ALA 87 2HB ALA 87 6.786 -13.416 -6.399 634 3HB ALA 87 3HB ALA 87 7.711 -14.557 -5.424 635 H GLN 88 H GLN 88 10.009 -14.506 -4.974 636 HA GLN 88 HA GLN 88 10.256 -12.208 -3.454 637 1HB GLN 88 2HB GLN 88 11.589 -13.479 -2.073 638 2HB GLN 88 1HB GLN 88 10.992 -14.779 -3.092 639 1HG GLN 88 2HG GLN 88 13.296 -15.178 -3.101 640 2HG GLN 88 1HG GLN 88 13.096 -14.238 -4.568 641 1HE2 GLN 88 1HE2 GLN 88 12.550 -11.830 -2.746 642 2HE2 GLN 88 2HE2 GLN 88 14.091 -11.312 -2.276 643 H ALA 89 H ALA 89 12.108 -13.288 -6.206 644 HA ALA 89 HA ALA 89 14.074 -11.181 -6.028 645 1HB ALA 89 1HB ALA 89 14.761 -11.953 -8.257 646 2HB ALA 89 2HB ALA 89 13.323 -12.969 -8.362 647 3HB ALA 89 3HB ALA 89 14.572 -13.328 -7.170 648 H ALA 90 H ALA 90 11.046 -11.850 -7.727 649 HA ALA 90 HA ALA 90 11.091 -9.470 -9.318 650 1HB ALA 90 1HB ALA 90 8.554 -10.826 -8.420 651 2HB ALA 90 2HB ALA 90 9.622 -11.605 -9.588 652 3HB ALA 90 3HB ALA 90 8.907 -10.036 -9.958 653 H ALA 91 H ALA 91 10.597 -10.091 -6.017 654 HA ALA 91 HA ALA 91 8.860 -7.850 -5.479 655 1HB ALA 91 1HB ALA 91 10.544 -9.360 -3.484 656 2HB ALA 91 2HB ALA 91 9.007 -9.974 -4.093 657 3HB ALA 91 3HB ALA 91 9.056 -8.461 -3.188 658 H GLU 92 H GLU 92 12.249 -8.587 -4.601 659 HA GLU 92 HA GLU 92 12.909 -6.134 -3.525 660 1HB GLU 92 2HB GLU 92 15.151 -6.767 -3.703 661 2HB GLU 92 1HB GLU 92 14.314 -8.316 -3.737 662 1HG GLU 92 2HG GLU 92 15.757 -8.561 -5.552 663 2HG GLU 92 1HG GLU 92 14.319 -7.936 -6.350 664 H GLN 93 H GLN 93 12.620 -7.018 -6.940 665 HA GLN 93 HA GLN 93 13.915 -4.718 -7.960 666 1HB GLN 93 2HB GLN 93 13.258 -5.443 -10.053 667 2HB GLN 93 1HB GLN 93 13.053 -6.937 -9.148 668 1HG GLN 93 2HG GLN 93 11.006 -6.831 -10.243 669 2HG GLN 93 1HG GLN 93 10.608 -5.995 -8.750 670 1HE2 GLN 93 1HE2 GLN 93 9.041 -5.396 -10.960 671 2HE2 GLN 93 2HE2 GLN 93 9.417 -3.848 -11.545 672 H LEU 94 H LEU 94 10.972 -5.134 -6.326 673 HA LEU 94 HA LEU 94 9.664 -2.770 -7.407 674 1HB LEU 94 2HB LEU 94 8.972 -4.317 -4.892 675 2HB LEU 94 1HB LEU 94 7.946 -3.180 -5.759 676 HG LEU 94 HG LEU 94 8.936 -5.853 -6.805 677 1HD1 LEU 94 1HD1 LEU 94 6.286 -4.833 -5.767 678 2HD1 LEU 94 2HD1 LEU 94 7.156 -6.293 -5.315 679 3HD1 LEU 94 3HD1 LEU 94 6.361 -6.194 -6.884 680 1HD2 LEU 94 1HD2 LEU 94 7.198 -5.183 -8.662 681 2HD2 LEU 94 2HD2 LEU 94 8.821 -4.504 -8.730 682 3HD2 LEU 94 3HD2 LEU 94 7.492 -3.536 -8.101 683 H LYS 95 H LYS 95 11.312 -3.781 -4.453 684 HA LYS 95 HA LYS 95 11.097 -1.526 -2.891 685 1HB LYS 95 2HB LYS 95 13.489 -3.338 -3.303 686 2HB LYS 95 1HB LYS 95 13.412 -2.109 -2.044 687 1HG LYS 95 2HG LYS 95 11.282 -4.243 -2.349 688 2HG LYS 95 1HG LYS 95 12.728 -4.497 -1.379 689 1HD LYS 95 2HD LYS 95 11.548 -1.929 -0.659 690 2HD LYS 95 1HD LYS 95 10.312 -3.179 -0.581 691 1HE LYS 95 2HE LYS 95 11.692 -4.511 0.921 692 2HE LYS 95 1HE LYS 95 13.030 -3.375 0.750 693 1HZ LYS 95 1HZ LYS 95 11.134 -3.265 2.670 694 2HZ LYS 95 2HZ LYS 95 10.550 -2.144 1.535 695 3HZ LYS 95 3HZ LYS 95 12.108 -1.961 2.190 696 H THR 96 H THR 96 13.181 -2.117 -5.651 697 HA THR 96 HA THR 96 14.645 0.328 -5.474 698 HB THR 96 HB THR 96 14.134 -1.228 -7.995 699 HG1 THR 96 1HG THR 96 14.808 -2.473 -6.023 700 1HG2 THR 96 1HG2 THR 96 16.541 0.300 -6.969 701 2HG2 THR 96 2HG2 THR 96 15.374 0.915 -8.141 702 3HG2 THR 96 3HG2 THR 96 16.395 -0.464 -8.553 703 H THR 97 H THR 97 11.795 -0.757 -7.287 704 HA THR 97 HA THR 97 11.413 1.544 -8.839 705 HB THR 97 HB THR 97 9.240 -0.261 -7.757 706 HG1 THR 97 1HG THR 97 9.905 -1.705 -9.127 707 1HG2 THR 97 1HG2 THR 97 8.243 1.608 -8.825 708 2HG2 THR 97 2HG2 THR 97 8.270 0.350 -10.061 709 3HG2 THR 97 3HG2 THR 97 9.467 1.641 -10.094 710 H ILE 98 H ILE 98 9.850 0.684 -5.708 711 HA ILE 98 HA ILE 98 8.475 3.132 -5.487 712 HB ILE 98 HB ILE 98 7.897 2.521 -3.316 713 1HG1 ILE 98 2HG1 ILE 98 10.554 1.064 -3.125 714 2HG1 ILE 98 1HG1 ILE 98 10.117 2.552 -2.282 715 1HG2 ILE 98 1HG2 ILE 98 8.785 -0.194 -4.276 716 2HG2 ILE 98 2HG2 ILE 98 7.506 0.688 -5.108 717 3HG2 ILE 98 3HG2 ILE 98 7.315 0.245 -3.412 718 1HD1 ILE 98 1HD1 ILE 98 8.190 1.213 -1.251 719 2HD1 ILE 98 2HD1 ILE 98 9.811 0.805 -0.690 720 3HD1 ILE 98 3HD1 ILE 98 8.999 -0.229 -1.865 721 H ARG 99 H ARG 99 11.800 2.232 -4.923 722 HA ARG 99 HA ARG 99 12.409 4.478 -3.286 723 1HB ARG 99 2HB ARG 99 13.996 2.387 -4.644 724 2HB ARG 99 1HB ARG 99 14.825 3.931 -4.545 725 1HG ARG 99 2HG ARG 99 13.611 2.423 -2.202 726 2HG ARG 99 1HG ARG 99 15.327 2.528 -2.580 727 1HD ARG 99 2HD ARG 99 14.660 5.195 -2.515 728 2HD ARG 99 1HD ARG 99 13.556 4.546 -1.309 729 HE ARG 99 HE ARG 99 16.071 3.458 -0.773 730 1HH1 ARG 99 1HH2 ARG 99 14.519 6.544 -0.940 731 2HH1 ARG 99 2HH2 ARG 99 15.536 7.277 0.256 732 1HH2 ARG 99 1HH1 ARG 99 17.414 4.412 0.796 733 2HH2 ARG 99 2HH1 ARG 99 17.174 6.070 1.238 734 H ALA 100 H ALA 100 11.755 4.101 -6.589 735 HA ALA 100 HA ALA 100 13.110 6.503 -7.466 736 1HB ALA 100 1HB ALA 100 10.732 5.142 -8.772 737 2HB ALA 100 2HB ALA 100 12.390 4.584 -8.995 738 3HB ALA 100 3HB ALA 100 11.923 6.196 -9.535 739 H TYR 101 H TYR 101 9.867 5.542 -6.390 740 HA TYR 101 HA TYR 101 8.834 8.222 -6.639 741 1HB TYR 101 2HB TYR 101 6.985 6.871 -6.719 742 2HB TYR 101 1HB TYR 101 7.782 5.574 -5.835 743 HD1 TYR 101 1HD TYR 101 6.445 9.061 -5.246 744 HD2 TYR 101 2HD TYR 101 7.027 5.095 -3.674 745 HE1 TYR 101 1HE TYR 101 5.234 9.694 -3.177 746 HE2 TYR 101 2HE TYR 101 5.803 5.734 -1.617 747 HH TYR 101 HH TYR 101 3.919 7.645 -1.115 748 H ASN 102 H ASN 102 10.114 6.185 -4.034 749 HA ASN 102 HA ASN 102 9.594 8.041 -1.939 750 1HB ASN 102 2HB ASN 102 10.352 5.479 -1.891 751 2HB ASN 102 1HB ASN 102 11.961 6.190 -1.802 752 1HD2 ASN 102 1HD2 ASN 102 8.830 6.018 -0.122 753 2HD2 ASN 102 2HD2 ASN 102 9.424 6.557 1.371 754 H GLN 103 H GLN 103 12.471 7.422 -3.928 755 HA GLN 103 HA GLN 103 13.994 9.507 -2.701 756 1HB GLN 103 2HB GLN 103 14.946 7.509 -3.895 757 2HB GLN 103 1HB GLN 103 14.401 8.250 -5.400 758 1HG GLN 103 2HG GLN 103 15.944 10.000 -5.271 759 2HG GLN 103 1HG GLN 103 16.115 9.864 -3.523 760 1HE2 GLN 103 1HE2 GLN 103 16.347 7.187 -5.901 761 2HE2 GLN 103 2HE2 GLN 103 17.964 6.815 -5.545 762 H LYS 104 H LYS 104 12.170 9.227 -5.753 763 HA LYS 104 HA LYS 104 12.888 11.675 -6.864 764 1HB LYS 104 2HB LYS 104 11.565 10.203 -8.214 765 2HB LYS 104 1HB LYS 104 10.252 10.207 -7.036 766 1HG LYS 104 2HG LYS 104 9.477 12.312 -7.668 767 2HG LYS 104 1HG LYS 104 11.080 12.870 -8.145 768 1HD LYS 104 2HD LYS 104 10.990 11.544 -10.188 769 2HD LYS 104 1HD LYS 104 9.463 10.816 -9.688 770 1HE LYS 104 2HE LYS 104 8.949 12.586 -11.249 771 2HE LYS 104 1HE LYS 104 8.466 13.133 -9.644 772 1HZ LYS 104 1HZ LYS 104 10.254 14.557 -9.493 773 2HZ LYS 104 2HZ LYS 104 9.850 14.687 -11.138 774 3HZ LYS 104 3HZ LYS 104 11.166 13.727 -10.658 775 H TYR 105 H TYR 105 10.134 10.913 -4.802 776 HA TYR 105 HA TYR 105 9.493 13.721 -4.445 777 1HB TYR 105 2HB TYR 105 8.178 11.140 -3.615 778 2HB TYR 105 1HB TYR 105 7.529 12.736 -3.247 779 HD1 TYR 105 1HD TYR 105 6.777 14.186 -5.008 780 HD2 TYR 105 2HD TYR 105 8.205 10.300 -5.928 781 HE1 TYR 105 1HE TYR 105 5.821 14.381 -7.290 782 HE2 TYR 105 2HE TYR 105 7.233 10.442 -8.194 783 HH TYR 105 HH TYR 105 6.353 11.876 -9.718 784 H GLY 106 H GLY 106 11.133 11.196 -2.697 785 1HA GLY 106 2HA GLY 106 10.856 12.713 -0.162 786 2HA GLY 106 1HA GLY 106 11.364 11.049 -0.287 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 10.291 -25.562 -24.688 2 2H ALA 1 2HT ALA 1 9.179 -24.380 -25.190 3 3H ALA 1 3HT ALA 1 8.763 -25.474 -23.959 4 HA ALA 1 HA ALA 1 11.157 -24.021 -23.365 5 1HB ALA 1 1HB ALA 1 8.546 -22.513 -23.704 6 2HB ALA 1 2HB ALA 1 10.009 -22.271 -24.659 7 3HB ALA 1 3HB ALA 1 10.000 -21.872 -22.941 8 H ASP 2 H ASP 2 11.186 -23.581 -21.108 9 HA ASP 2 HA ASP 2 9.534 -25.371 -19.561 10 1HB ASP 2 2HB ASP 2 11.586 -23.346 -18.639 11 2HB ASP 2 1HB ASP 2 10.902 -24.651 -17.672 12 H LEU 3 H LEU 3 8.588 -24.520 -17.446 13 HA LEU 3 HA LEU 3 7.660 -21.803 -17.407 14 1HB LEU 3 2HB LEU 3 5.171 -22.659 -17.440 15 2HB LEU 3 1HB LEU 3 6.005 -22.332 -18.955 16 HG LEU 3 HG LEU 3 6.612 -24.764 -19.092 17 1HD1 LEU 3 1HD1 LEU 3 5.164 -26.266 -17.604 18 2HD1 LEU 3 2HD1 LEU 3 4.898 -24.839 -16.606 19 3HD1 LEU 3 3HD1 LEU 3 6.530 -25.476 -16.817 20 1HD2 LEU 3 1HD2 LEU 3 3.655 -24.141 -18.825 21 2HD2 LEU 3 2HD2 LEU 3 4.338 -25.512 -19.701 22 3HD2 LEU 3 3HD2 LEU 3 4.636 -23.867 -20.264 23 H GLU 4 H GLU 4 8.876 -24.136 -15.818 24 HA GLU 4 HA GLU 4 7.436 -23.541 -13.322 25 1HB GLU 4 2HB GLU 4 7.793 -26.261 -14.552 26 2HB GLU 4 1HB GLU 4 7.848 -26.111 -12.797 27 1HG GLU 4 2HG GLU 4 5.598 -24.890 -14.395 28 2HG GLU 4 1HG GLU 4 5.547 -26.577 -13.892 29 H ASP 5 H ASP 5 10.276 -24.784 -14.992 30 HA ASP 5 HA ASP 5 11.893 -24.893 -12.599 31 1HB ASP 5 2HB ASP 5 12.303 -26.364 -14.570 32 2HB ASP 5 1HB ASP 5 12.768 -24.938 -15.496 33 H ASN 6 H ASN 6 12.687 -23.153 -11.621 34 HA ASN 6 HA ASN 6 13.928 -21.024 -13.140 35 1HB ASN 6 2HB ASN 6 12.541 -19.235 -12.126 36 2HB ASN 6 1HB ASN 6 11.616 -20.269 -13.213 37 1HD2 ASN 6 1HD2 ASN 6 9.550 -20.243 -12.228 38 2HD2 ASN 6 2HD2 ASN 6 9.268 -20.713 -10.621 39 H ASP 7 H ASP 7 14.202 -19.112 -11.245 40 HA ASP 7 HA ASP 7 16.141 -20.232 -9.496 41 1HB ASP 7 2HB ASP 7 14.821 -17.511 -9.368 42 2HB ASP 7 1HB ASP 7 16.329 -17.977 -8.581 43 H GLU 8 H GLU 8 14.837 -21.884 -8.438 44 HA GLU 8 HA GLU 8 13.558 -22.722 -6.719 45 1HB GLU 8 2HB GLU 8 14.505 -20.142 -5.444 46 2HB GLU 8 1HB GLU 8 13.803 -21.506 -4.572 47 1HG GLU 8 2HG GLU 8 15.614 -22.966 -5.375 48 2HG GLU 8 1HG GLU 8 16.312 -21.617 -6.269 49 H THR 9 H THR 9 12.616 -19.964 -5.082 50 HA THR 9 HA THR 9 10.280 -19.324 -6.668 51 HB THR 9 HB THR 9 9.867 -20.629 -3.972 52 HG1 THR 9 1HG THR 9 9.430 -21.660 -6.577 53 1HG2 THR 9 1HG2 THR 9 8.145 -19.012 -4.619 54 2HG2 THR 9 2HG2 THR 9 7.503 -20.651 -4.726 55 3HG2 THR 9 3HG2 THR 9 7.980 -19.793 -6.191 56 H GLY 10 H GLY 10 12.112 -19.046 -3.684 57 1HA GLY 10 2HA GLY 10 12.379 -16.367 -3.510 58 2HA GLY 10 1HA GLY 10 10.765 -16.615 -2.849 59 H ASN 11 H ASN 11 12.482 -19.366 -2.227 60 HA ASN 11 HA ASN 11 13.941 -18.493 0.095 61 1HB ASN 11 2HB ASN 11 11.590 -18.486 0.906 62 2HB ASN 11 1HB ASN 11 11.447 -20.182 0.450 63 1HD2 ASN 11 1HD2 ASN 11 14.513 -20.240 1.340 64 2HD2 ASN 11 2HD2 ASN 11 14.384 -20.478 3.015 65 H ASP 12 H ASP 12 12.634 -21.529 0.623 66 HA ASP 12 HA ASP 12 13.452 -23.664 0.451 67 1HB ASP 12 2HB ASP 12 13.010 -23.168 -1.988 68 2HB ASP 12 1HB ASP 12 14.716 -22.748 -2.137 69 H ASN 13 H ASN 13 15.360 -21.029 0.901 70 HA ASN 13 HA ASN 13 17.883 -22.568 1.100 71 1HB ASN 13 2HB ASN 13 17.866 -20.427 -0.224 72 2HB ASN 13 1HB ASN 13 17.507 -19.572 1.274 73 1HD2 ASN 13 1HD2 ASN 13 19.131 -20.492 3.167 74 2HD2 ASN 13 2HD2 ASN 13 20.763 -20.470 2.702 75 H GLY 14 H GLY 14 15.991 -20.120 2.893 76 1HA GLY 14 2HA GLY 14 15.548 -21.088 5.287 77 2HA GLY 14 1HA GLY 14 17.300 -20.934 5.401 78 H LYS 15 H LYS 15 16.516 -19.485 7.232 79 HA LYS 15 HA LYS 15 16.703 -16.736 6.336 80 1HB LYS 15 2HB LYS 15 14.672 -16.001 7.530 81 2HB LYS 15 1HB LYS 15 14.280 -17.115 6.227 82 1HG LYS 15 2HG LYS 15 14.371 -18.981 7.989 83 2HG LYS 15 1HG LYS 15 14.373 -17.697 9.193 84 1HD LYS 15 2HD LYS 15 12.086 -18.081 9.025 85 2HD LYS 15 1HD LYS 15 12.273 -16.823 7.806 86 1HE LYS 15 2HE LYS 15 10.962 -18.593 6.822 87 2HE LYS 15 1HE LYS 15 12.562 -18.667 6.088 88 1HZ LYS 15 1HZ LYS 15 11.312 -20.482 8.012 89 2HZ LYS 15 2HZ LYS 15 12.995 -20.270 8.095 90 3HZ LYS 15 3HZ LYS 15 12.277 -20.835 6.663 91 H GLY 16 H GLY 16 15.562 -15.977 9.063 92 1HA GLY 16 2HA GLY 16 18.070 -16.328 10.532 93 2HA GLY 16 1HA GLY 16 16.765 -15.216 10.935 94 H GLY 17 H GLY 17 15.237 -15.817 12.379 95 1HA GLY 17 2HA GLY 17 14.097 -18.152 13.032 96 2HA GLY 17 1HA GLY 17 15.660 -18.312 13.826 97 H GLU 18 H GLU 18 13.271 -15.670 13.429 98 HA GLU 18 HA GLU 18 12.749 -15.578 16.257 99 1HB GLU 18 2HB GLU 18 13.600 -13.042 16.225 100 2HB GLU 18 1HB GLU 18 14.688 -14.368 16.630 101 1HG GLU 18 2HG GLU 18 15.622 -12.764 14.931 102 2HG GLU 18 1HG GLU 18 15.561 -14.438 14.384 103 H LYS 19 H LYS 19 10.672 -15.913 15.112 104 HA LYS 19 HA LYS 19 9.337 -13.342 14.713 105 1HB LYS 19 2HB LYS 19 8.222 -14.259 12.621 106 2HB LYS 19 1HB LYS 19 9.899 -13.755 12.441 107 1HG LYS 19 2HG LYS 19 9.468 -16.615 13.219 108 2HG LYS 19 1HG LYS 19 8.974 -16.178 11.585 109 1HD LYS 19 2HD LYS 19 11.144 -15.596 10.929 110 2HD LYS 19 1HD LYS 19 11.681 -15.315 12.583 111 1HE LYS 19 2HE LYS 19 12.518 -17.463 11.445 112 2HE LYS 19 1HE LYS 19 11.813 -17.638 13.053 113 1HZ LYS 19 1HZ LYS 19 10.508 -19.150 12.092 114 2HZ LYS 19 2HZ LYS 19 10.873 -18.622 10.518 115 3HZ LYS 19 3HZ LYS 19 9.667 -17.839 11.422 116 H ALA 20 H ALA 20 7.673 -15.936 13.336 117 HA ALA 20 HA ALA 20 6.420 -16.787 15.861 118 1HB ALA 20 1HB ALA 20 4.871 -15.672 13.509 119 2HB ALA 20 2HB ALA 20 5.073 -14.885 15.073 120 3HB ALA 20 3HB ALA 20 4.173 -16.397 14.958 121 H ASP 21 H ASP 21 4.646 -17.376 12.990 122 HA ASP 21 HA ASP 21 6.029 -19.891 12.401 123 1HB ASP 21 2HB ASP 21 4.505 -20.522 14.196 124 2HB ASP 21 1HB ASP 21 3.156 -19.769 13.348 125 H ASN 22 H ASN 22 2.670 -19.187 11.715 126 HA ASN 22 HA ASN 22 3.343 -18.904 8.837 127 1HB ASN 22 2HB ASN 22 1.004 -19.791 8.509 128 2HB ASN 22 1HB ASN 22 2.152 -20.931 9.210 129 1HD2 ASN 22 1HD2 ASN 22 -0.915 -20.593 9.522 130 2HD2 ASN 22 2HD2 ASN 22 -1.142 -20.584 11.205 131 H ALA 23 H ALA 23 0.105 -18.505 9.429 132 HA ALA 23 HA ALA 23 -0.270 -16.008 8.422 133 1HB ALA 23 1HB ALA 23 -2.184 -17.344 8.869 134 2HB ALA 23 2HB ALA 23 -2.346 -15.938 9.920 135 3HB ALA 23 3HB ALA 23 -1.785 -17.474 10.581 136 H ALA 24 H ALA 24 0.914 -16.832 11.595 137 HA ALA 24 HA ALA 24 0.417 -14.366 12.888 138 1HB ALA 24 1HB ALA 24 2.456 -16.538 13.373 139 2HB ALA 24 2HB ALA 24 0.945 -16.258 14.239 140 3HB ALA 24 3HB ALA 24 2.286 -15.126 14.417 141 H GLN 25 H GLN 25 3.490 -15.614 11.522 142 HA GLN 25 HA GLN 25 4.848 -13.156 11.809 143 1HB GLN 25 2HB GLN 25 6.666 -14.236 10.893 144 2HB GLN 25 1HB GLN 25 5.696 -15.642 11.313 145 1HG GLN 25 2HG GLN 25 4.811 -15.678 8.975 146 2HG GLN 25 1HG GLN 25 5.877 -14.331 8.574 147 1HE2 GLN 25 1HE2 GLN 25 6.172 -17.578 10.157 148 2HE2 GLN 25 2HE2 GLN 25 7.640 -17.955 9.393 149 H VAL 26 H VAL 26 2.845 -14.452 9.234 150 HA VAL 26 HA VAL 26 3.582 -12.455 7.322 151 HB VAL 26 HB VAL 26 1.546 -14.648 7.494 152 1HG1 VAL 26 1HG1 VAL 26 1.312 -12.273 5.641 153 2HG1 VAL 26 2HG1 VAL 26 0.082 -12.906 6.736 154 3HG1 VAL 26 3HG1 VAL 26 0.555 -13.829 5.307 155 1HG2 VAL 26 1HG2 VAL 26 2.496 -15.090 5.197 156 2HG2 VAL 26 2HG2 VAL 26 3.698 -15.128 6.478 157 3HG2 VAL 26 3HG2 VAL 26 3.572 -13.721 5.424 158 H LYS 27 H LYS 27 0.594 -12.923 9.230 159 HA LYS 27 HA LYS 27 -0.801 -10.677 8.563 160 1HB LYS 27 2HB LYS 27 -0.451 -12.076 11.200 161 2HB LYS 27 1HB LYS 27 -1.485 -10.654 11.073 162 1HG LYS 27 2HG LYS 27 -2.938 -11.712 9.536 163 2HG LYS 27 1HG LYS 27 -1.783 -12.994 9.188 164 1HD LYS 27 2HD LYS 27 -3.554 -13.851 10.649 165 2HD LYS 27 1HD LYS 27 -2.024 -13.815 11.524 166 1HE LYS 27 2HE LYS 27 -4.041 -12.905 12.792 167 2HE LYS 27 1HE LYS 27 -2.644 -11.835 12.715 168 1HZ LYS 27 1HZ LYS 27 -3.751 -10.361 11.476 169 2HZ LYS 27 2HZ LYS 27 -5.153 -11.156 12.011 170 3HZ LYS 27 3HZ LYS 27 -4.471 -11.551 10.506 171 H ASP 28 H ASP 28 1.845 -10.843 10.946 172 HA ASP 28 HA ASP 28 1.764 -8.122 11.707 173 1HB ASP 28 2HB ASP 28 4.121 -10.027 11.643 174 2HB ASP 28 1HB ASP 28 4.066 -8.495 12.513 175 H ALA 29 H ALA 29 3.144 -9.798 8.987 176 HA ALA 29 HA ALA 29 4.822 -7.647 8.095 177 1HB ALA 29 1HB ALA 29 3.783 -9.880 6.359 178 2HB ALA 29 2HB ALA 29 5.037 -10.163 7.567 179 3HB ALA 29 3HB ALA 29 5.322 -9.024 6.250 180 H LEU 30 H LEU 30 1.457 -8.336 7.871 181 HA LEU 30 HA LEU 30 1.018 -6.811 5.433 182 1HB LEU 30 2HB LEU 30 -0.705 -8.282 7.403 183 2HB LEU 30 1HB LEU 30 -1.468 -7.042 6.418 184 HG LEU 30 HG LEU 30 -0.455 -8.219 4.382 185 1HD1 LEU 30 1HD1 LEU 30 0.303 -10.467 4.606 186 2HD1 LEU 30 2HD1 LEU 30 -0.199 -10.553 6.294 187 3HD1 LEU 30 3HD1 LEU 30 1.186 -9.567 5.834 188 1HD2 LEU 30 1HD2 LEU 30 -2.472 -9.612 6.157 189 2HD2 LEU 30 2HD2 LEU 30 -2.201 -10.032 4.467 190 3HD2 LEU 30 3HD2 LEU 30 -2.809 -8.432 4.893 191 H THR 31 H THR 31 0.261 -6.356 8.897 192 HA THR 31 HA THR 31 -0.740 -3.730 8.604 193 HB THR 31 HB THR 31 -1.124 -5.062 10.623 194 HG1 THR 31 1HG THR 31 -0.310 -3.354 12.123 195 1HG2 THR 31 1HG2 THR 31 1.161 -6.111 10.620 196 2HG2 THR 31 2HG2 THR 31 0.659 -5.501 12.199 197 3HG2 THR 31 3HG2 THR 31 1.802 -4.580 11.220 198 H LYS 32 H LYS 32 2.467 -5.037 8.703 199 HA LYS 32 HA LYS 32 3.952 -2.831 9.527 200 1HB LYS 32 2HB LYS 32 4.579 -5.320 8.536 201 2HB LYS 32 1HB LYS 32 5.075 -4.300 7.190 202 1HG LYS 32 2HG LYS 32 6.247 -2.864 9.067 203 2HG LYS 32 1HG LYS 32 6.099 -4.335 10.025 204 1HD LYS 32 2HD LYS 32 8.186 -4.674 9.044 205 2HD LYS 32 1HD LYS 32 7.146 -5.485 7.875 206 1HE LYS 32 2HE LYS 32 8.473 -4.128 6.498 207 2HE LYS 32 1HE LYS 32 7.044 -3.119 6.727 208 1HZ LYS 32 1HZ LYS 32 9.672 -2.510 7.376 209 2HZ LYS 32 2HZ LYS 32 8.851 -2.707 8.851 210 3HZ LYS 32 3HZ LYS 32 8.286 -1.589 7.703 211 H MET 33 H MET 33 3.147 -3.730 6.154 212 HA MET 33 HA MET 33 3.947 -1.366 4.931 213 1HB MET 33 2HB MET 33 1.450 -2.611 3.887 214 2HB MET 33 1HB MET 33 2.963 -2.265 3.053 215 1HG MET 33 2HG MET 33 2.354 -4.603 4.882 216 2HG MET 33 1HG MET 33 2.765 -4.652 3.184 217 1HE MET 33 1HE MET 33 4.711 -3.586 2.227 218 2HE MET 33 2HE MET 33 6.343 -3.676 2.884 219 3HE MET 33 3HE MET 33 5.316 -2.301 3.281 220 H ARG 34 H ARG 34 0.601 -2.243 5.857 221 HA ARG 34 HA ARG 34 -0.824 0.009 5.536 222 1HB ARG 34 2HB ARG 34 -1.508 -2.125 6.738 223 2HB ARG 34 1HB ARG 34 -0.802 -1.423 8.191 224 1HG ARG 34 2HG ARG 34 -2.315 0.470 8.081 225 2HG ARG 34 1HG ARG 34 -2.955 -0.091 6.535 226 1HD ARG 34 2HD ARG 34 -4.030 -1.950 7.515 227 2HD ARG 34 1HD ARG 34 -3.057 -1.858 8.985 228 HE ARG 34 HE ARG 34 -4.695 0.483 8.540 229 1HH1 ARG 34 1HH2 ARG 34 -4.543 -2.739 9.792 230 2HH1 ARG 34 2HH2 ARG 34 -5.829 -2.506 10.928 231 1HH2 ARG 34 1HH1 ARG 34 -6.380 0.797 10.026 232 2HH2 ARG 34 2HH1 ARG 34 -6.869 -0.503 11.060 233 H ALA 35 H ALA 35 0.898 -0.490 8.627 234 HA ALA 35 HA ALA 35 0.610 2.118 9.576 235 1HB ALA 35 1HB ALA 35 2.892 0.200 10.104 236 2HB ALA 35 2HB ALA 35 1.356 0.223 10.969 237 3HB ALA 35 3HB ALA 35 2.459 1.592 11.096 238 H ALA 36 H ALA 36 2.908 0.782 7.303 239 HA ALA 36 HA ALA 36 4.763 2.950 7.386 240 1HB ALA 36 1HB ALA 36 5.073 0.541 6.433 241 2HB ALA 36 2HB ALA 36 5.859 1.888 5.612 242 3HB ALA 36 3HB ALA 36 4.368 1.210 4.961 243 H ALA 37 H ALA 37 2.194 2.052 5.083 244 HA ALA 37 HA ALA 37 2.397 4.309 3.431 245 1HB ALA 37 1HB ALA 37 0.987 2.084 3.219 246 2HB ALA 37 2HB ALA 37 0.427 3.563 2.441 247 3HB ALA 37 3HB ALA 37 -0.277 3.049 3.974 248 H LEU 38 H LEU 38 0.395 3.687 6.290 249 HA LEU 38 HA LEU 38 -0.985 6.151 6.313 250 1HB LEU 38 2HB LEU 38 -1.257 3.943 7.783 251 2HB LEU 38 1HB LEU 38 -0.223 4.823 8.905 252 HG LEU 38 HG LEU 38 -2.825 5.868 7.739 253 1HD1 LEU 38 1HD1 LEU 38 -3.782 5.448 9.923 254 2HD1 LEU 38 2HD1 LEU 38 -2.218 4.942 10.562 255 3HD1 LEU 38 3HD1 LEU 38 -3.042 3.950 9.358 256 1HD2 LEU 38 1HD2 LEU 38 -1.514 7.762 8.255 257 2HD2 LEU 38 2HD2 LEU 38 -0.775 6.987 9.656 258 3HD2 LEU 38 3HD2 LEU 38 -2.455 7.518 9.724 259 H ASP 39 H ASP 39 1.942 5.126 8.032 260 HA ASP 39 HA ASP 39 2.569 7.455 9.374 261 1HB ASP 39 2HB ASP 39 3.797 5.448 9.796 262 2HB ASP 39 1HB ASP 39 4.350 5.359 8.127 263 H ALA 40 H ALA 40 3.998 6.481 6.247 264 HA ALA 40 HA ALA 40 5.362 8.797 5.670 265 1HB ALA 40 1HB ALA 40 3.898 7.238 3.547 266 2HB ALA 40 2HB ALA 40 5.310 6.585 4.377 267 3HB ALA 40 3HB ALA 40 5.453 8.061 3.425 268 H GLN 41 H GLN 41 2.065 8.013 4.614 269 HA GLN 41 HA GLN 41 1.377 10.230 3.203 270 1HB GLN 41 2HB GLN 41 -0.017 8.302 3.444 271 2HB GLN 41 1HB GLN 41 -0.267 8.631 5.159 272 1HG GLN 41 2HG GLN 41 -1.612 10.516 4.724 273 2HG GLN 41 1HG GLN 41 -1.035 10.675 3.066 274 1HE2 GLN 41 1HE2 GLN 41 -1.494 7.407 3.711 275 2HE2 GLN 41 2HE2 GLN 41 -3.069 7.237 3.083 276 H LYS 42 H LYS 42 1.427 9.980 6.794 277 HA LYS 42 HA LYS 42 1.491 12.906 6.908 278 1HB LYS 42 2HB LYS 42 -0.869 11.291 7.846 279 2HB LYS 42 1HB LYS 42 -0.447 12.773 8.700 280 1HG LYS 42 2HG LYS 42 -0.495 13.963 6.454 281 2HG LYS 42 1HG LYS 42 -1.184 12.495 5.778 282 1HD LYS 42 2HD LYS 42 -2.367 14.204 7.970 283 2HD LYS 42 1HD LYS 42 -2.998 13.976 6.340 284 1HE LYS 42 2HE LYS 42 -4.316 12.501 7.600 285 2HE LYS 42 1HE LYS 42 -3.054 11.438 6.979 286 1HZ LYS 42 1HZ LYS 42 -2.347 12.738 9.441 287 2HZ LYS 42 2HZ LYS 42 -2.253 11.097 9.014 288 3HZ LYS 42 3HZ LYS 42 -3.714 11.745 9.588 289 H ALA 43 H ALA 43 3.584 11.602 7.586 290 HA ALA 43 HA ALA 43 3.814 12.093 10.424 291 1HB ALA 43 1HB ALA 43 4.637 9.328 9.603 292 2HB ALA 43 2HB ALA 43 2.962 9.646 10.044 293 3HB ALA 43 3HB ALA 43 4.251 9.952 11.205 294 H THR 44 H THR 44 5.412 10.380 7.732 295 HA THR 44 HA THR 44 7.903 11.862 8.321 296 HB THR 44 HB THR 44 7.556 9.080 7.213 297 HG1 THR 44 1HG THR 44 8.883 9.711 9.584 298 1HG2 THR 44 1HG2 THR 44 9.534 9.878 6.238 299 2HG2 THR 44 2HG2 THR 44 10.106 9.110 7.717 300 3HG2 THR 44 3HG2 THR 44 9.943 10.864 7.643 301 HA PRO 45 HA PRO 45 6.424 13.471 4.164 302 1HB PRO 45 2HB PRO 45 8.910 14.972 4.959 303 2HB PRO 45 1HB PRO 45 7.493 15.557 4.060 304 1HG PRO 45 2HG PRO 45 7.737 16.063 6.652 305 2HG PRO 45 1HG PRO 45 6.160 15.648 5.953 306 1HD PRO 45 2HD PRO 45 7.893 14.022 7.731 307 2HD PRO 45 1HD PRO 45 6.143 13.903 7.467 308 HA PRO 46 HA PRO 46 9.726 10.579 2.757 309 1HB PRO 46 2HB PRO 46 8.357 9.285 0.841 310 2HB PRO 46 1HB PRO 46 8.004 9.022 2.559 311 1HG PRO 46 2HG PRO 46 6.573 10.783 0.610 312 2HG PRO 46 1HG PRO 46 5.905 9.630 1.755 313 1HD PRO 46 2HD PRO 46 6.052 12.312 2.268 314 2HD PRO 46 1HD PRO 46 6.098 11.087 3.562 315 H LYS 47 H LYS 47 8.234 10.633 -0.303 316 HA LYS 47 HA LYS 47 10.505 11.989 -1.463 317 1HB LYS 47 2HB LYS 47 8.033 11.029 -2.900 318 2HB LYS 47 1HB LYS 47 9.650 11.271 -3.561 319 1HG LYS 47 2HG LYS 47 8.876 9.202 -1.483 320 2HG LYS 47 1HG LYS 47 9.231 8.879 -3.181 321 1HD LYS 47 2HD LYS 47 11.512 10.021 -2.714 322 2HD LYS 47 1HD LYS 47 11.121 9.791 -1.009 323 1HE LYS 47 2HE LYS 47 10.834 7.369 -1.402 324 2HE LYS 47 1HE LYS 47 11.250 7.600 -3.101 325 1HZ LYS 47 1HZ LYS 47 13.303 7.145 -2.335 326 2HZ LYS 47 2HZ LYS 47 12.956 7.640 -0.747 327 3HZ LYS 47 3HZ LYS 47 13.310 8.795 -1.942 328 H LEU 48 H LEU 48 7.442 12.971 -0.314 329 HA LEU 48 HA LEU 48 7.073 15.099 -2.251 330 1HB LEU 48 2HB LEU 48 5.800 15.158 0.470 331 2HB LEU 48 1HB LEU 48 5.142 15.667 -1.088 332 HG LEU 48 HG LEU 48 5.630 12.820 -0.161 333 1HD1 LEU 48 1HD1 LEU 48 3.162 14.487 -0.677 334 2HD1 LEU 48 2HD1 LEU 48 3.628 13.669 0.814 335 3HD1 LEU 48 3HD1 LEU 48 3.120 12.730 -0.585 336 1HD2 LEU 48 1HD2 LEU 48 6.095 12.747 -2.479 337 2HD2 LEU 48 2HD2 LEU 48 4.888 13.975 -2.854 338 3HD2 LEU 48 3HD2 LEU 48 4.382 12.349 -2.399 339 H GLU 49 H GLU 49 9.680 15.152 -1.221 340 HA GLU 49 HA GLU 49 10.021 17.032 0.870 341 1HB GLU 49 2HB GLU 49 11.836 15.558 0.004 342 2HB GLU 49 1HB GLU 49 11.858 16.507 -1.483 343 1HG GLU 49 2HG GLU 49 12.439 18.522 -0.235 344 2HG GLU 49 1HG GLU 49 12.319 17.644 1.289 345 H ASP 50 H ASP 50 9.319 17.286 -2.523 346 HA ASP 50 HA ASP 50 8.650 20.086 -2.258 347 1HB ASP 50 2HB ASP 50 10.934 19.207 -4.038 348 2HB ASP 50 1HB ASP 50 10.137 20.774 -4.153 349 H LYS 51 H LYS 51 6.921 18.098 -2.736 350 HA LYS 51 HA LYS 51 6.208 18.459 -5.588 351 1HB LYS 51 2HB LYS 51 5.841 15.859 -4.096 352 2HB LYS 51 1HB LYS 51 5.570 16.165 -5.809 353 1HG LYS 51 2HG LYS 51 8.165 16.875 -5.704 354 2HG LYS 51 1HG LYS 51 8.154 15.776 -4.329 355 1HD LYS 51 2HD LYS 51 7.110 15.020 -7.079 356 2HD LYS 51 1HD LYS 51 8.752 14.698 -6.538 357 1HE LYS 51 2HE LYS 51 6.458 13.780 -4.823 358 2HE LYS 51 1HE LYS 51 6.895 12.846 -6.247 359 1HZ LYS 51 1HZ LYS 51 8.271 13.115 -3.749 360 2HZ LYS 51 2HZ LYS 51 9.285 13.373 -5.087 361 3HZ LYS 51 3HZ LYS 51 8.417 11.920 -4.942 362 H SER 52 H SER 52 5.304 19.785 -3.150 363 HA SER 52 HA SER 52 3.061 18.967 -1.918 364 1HB SER 52 2HB SER 52 4.318 21.398 -2.284 365 2HB SER 52 1HB SER 52 2.706 21.710 -2.912 366 HG SER 52 HG SER 52 3.490 20.781 -0.357 367 HA PRO 53 HA PRO 53 -0.539 18.462 -4.417 368 1HB PRO 53 2HB PRO 53 -1.753 21.063 -3.568 369 2HB PRO 53 1HB PRO 53 -2.423 19.422 -3.474 370 1HG PRO 53 2HG PRO 53 -1.522 20.634 -1.300 371 2HG PRO 53 1HG PRO 53 -1.228 18.903 -1.560 372 1HD PRO 53 2HD PRO 53 0.670 21.208 -1.893 373 2HD PRO 53 1HD PRO 53 0.973 19.582 -1.240 374 H ASP 54 H ASP 54 1.532 19.618 -5.853 375 HA ASP 54 HA ASP 54 0.268 21.624 -7.638 376 1HB ASP 54 2HB ASP 54 2.448 22.210 -6.648 377 2HB ASP 54 1HB ASP 54 3.161 20.778 -7.390 378 H SER 55 H SER 55 2.622 19.013 -7.905 379 HA SER 55 HA SER 55 1.925 18.332 -10.615 380 1HB SER 55 2HB SER 55 3.542 16.359 -9.175 381 2HB SER 55 1HB SER 55 4.025 17.425 -10.502 382 HG SER 55 HG SER 55 4.037 17.893 -7.720 383 HA PRO 56 HA PRO 56 -1.028 15.085 -9.804 384 1HB PRO 56 2HB PRO 56 0.081 12.695 -10.694 385 2HB PRO 56 1HB PRO 56 -0.666 13.907 -11.750 386 1HG PRO 56 2HG PRO 56 2.219 13.425 -11.170 387 2HG PRO 56 1HG PRO 56 1.431 13.848 -12.701 388 1HD PRO 56 2HD PRO 56 2.765 15.677 -11.240 389 2HD PRO 56 1HD PRO 56 1.330 16.120 -12.177 390 H GLU 57 H GLU 57 0.794 15.776 -7.683 391 HA GLU 57 HA GLU 57 1.801 13.535 -6.286 392 1HB GLU 57 2HB GLU 57 2.577 15.696 -5.581 393 2HB GLU 57 1HB GLU 57 0.934 16.302 -5.394 394 1HG GLU 57 2HG GLU 57 0.543 14.872 -3.473 395 2HG GLU 57 1HG GLU 57 2.060 14.014 -3.741 396 H MET 58 H MET 58 -1.036 15.519 -5.527 397 HA MET 58 HA MET 58 -2.315 14.061 -3.658 398 1HB MET 58 2HB MET 58 -3.723 15.242 -6.054 399 2HB MET 58 1HB MET 58 -4.419 14.904 -4.467 400 1HG MET 58 2HG MET 58 -3.119 16.610 -3.420 401 2HG MET 58 1HG MET 58 -2.047 16.766 -4.813 402 1HE MET 58 1HE MET 58 -6.105 18.649 -4.063 403 2HE MET 58 2HE MET 58 -4.915 18.019 -2.928 404 3HE MET 58 3HE MET 58 -5.904 16.903 -3.868 405 H LYS 59 H LYS 59 -2.534 13.524 -7.136 406 HA LYS 59 HA LYS 59 -4.284 11.368 -7.197 407 1HB LYS 59 2HB LYS 59 -1.914 12.028 -8.949 408 2HB LYS 59 1HB LYS 59 -3.064 10.751 -9.324 409 1HG LYS 59 2HG LYS 59 -4.199 13.457 -8.678 410 2HG LYS 59 1HG LYS 59 -3.380 13.284 -10.230 411 1HD LYS 59 2HD LYS 59 -5.413 11.224 -9.368 412 2HD LYS 59 1HD LYS 59 -5.957 12.757 -10.050 413 1HE LYS 59 2HE LYS 59 -5.043 12.307 -12.146 414 2HE LYS 59 1HE LYS 59 -3.812 11.223 -11.496 415 1HZ LYS 59 1HZ LYS 59 -6.565 10.676 -12.238 416 2HZ LYS 59 2HZ LYS 59 -6.029 9.925 -10.811 417 3HZ LYS 59 3HZ LYS 59 -5.207 9.660 -12.274 418 H ASP 60 H ASP 60 -0.812 10.915 -7.737 419 HA ASP 60 HA ASP 60 -0.710 8.200 -7.137 420 1HB ASP 60 2HB ASP 60 1.067 9.701 -8.205 421 2HB ASP 60 1HB ASP 60 1.544 10.129 -6.562 422 H PHE 61 H PHE 61 -0.672 10.959 -5.051 423 HA PHE 61 HA PHE 61 0.261 9.626 -2.705 424 1HB PHE 61 2HB PHE 61 0.468 12.070 -3.197 425 2HB PHE 61 1HB PHE 61 -1.260 12.213 -2.938 426 HD1 PHE 61 1HD PHE 61 -1.878 12.978 -0.826 427 HD2 PHE 61 2HD PHE 61 1.712 10.665 -1.256 428 HE1 PHE 61 1HE PHE 61 -1.408 13.278 1.569 429 HE2 PHE 61 2HE PHE 61 2.178 10.961 1.151 430 HZ PHE 61 HZ PHE 61 0.614 12.280 2.540 431 H ARG 62 H ARG 62 -2.954 11.198 -3.234 432 HA ARG 62 HA ARG 62 -4.193 9.756 -1.161 433 1HB ARG 62 2HB ARG 62 -5.172 11.287 -3.538 434 2HB ARG 62 1HB ARG 62 -6.312 10.160 -2.819 435 1HG ARG 62 2HG ARG 62 -6.460 12.470 -1.871 436 2HG ARG 62 1HG ARG 62 -6.117 11.238 -0.663 437 1HD ARG 62 2HD ARG 62 -3.883 11.902 -0.437 438 2HD ARG 62 1HD ARG 62 -3.866 12.724 -1.998 439 HE ARG 62 HE ARG 62 -4.617 13.863 0.509 440 1HH1 ARG 62 1HH2 ARG 62 -5.370 13.810 -2.868 441 2HH1 ARG 62 2HH2 ARG 62 -6.033 15.409 -2.884 442 1HH2 ARG 62 1HH1 ARG 62 -5.481 15.960 0.493 443 2HH2 ARG 62 2HH1 ARG 62 -6.093 16.628 -0.983 444 H HIS 63 H HIS 63 -3.434 8.820 -4.464 445 HA HIS 63 HA HIS 63 -5.129 6.477 -4.334 446 1HB HIS 63 2HB HIS 63 -4.452 7.681 -6.474 447 2HB HIS 63 1HB HIS 63 -2.863 6.939 -6.271 448 HD1 HIS 63 1HD HIS 63 -2.823 5.087 -7.957 449 HD2 HIS 63 2HD HIS 63 -6.399 5.153 -5.813 450 HE1 HIS 63 1HE HIS 63 -4.120 3.031 -8.664 451 HE2 HIS 63 2HE HIS 63 -6.303 3.056 -7.367 452 H GLY 64 H GLY 64 -1.607 7.000 -4.415 453 1HA GLY 64 2HA GLY 64 -0.619 4.502 -4.148 454 2HA GLY 64 1HA GLY 64 0.065 5.857 -3.269 455 H PHE 65 H PHE 65 -2.089 6.388 -1.500 456 HA PHE 65 HA PHE 65 -1.617 4.266 0.409 457 1HB PHE 65 2HB PHE 65 -1.941 6.002 1.842 458 2HB PHE 65 1HB PHE 65 -2.558 7.017 0.550 459 HD1 PHE 65 1HD PHE 65 -5.028 6.581 -0.170 460 HD2 PHE 65 2HD PHE 65 -3.390 5.300 3.570 461 HE1 PHE 65 1HE PHE 65 -7.287 6.416 0.725 462 HE2 PHE 65 2HE PHE 65 -5.688 5.127 4.494 463 HZ PHE 65 HZ PHE 65 -7.632 5.689 3.055 464 H ASP 66 H ASP 66 -4.199 5.279 -1.731 465 HA ASP 66 HA ASP 66 -6.206 3.555 -0.704 466 1HB ASP 66 2HB ASP 66 -6.525 5.535 -2.287 467 2HB ASP 66 1HB ASP 66 -5.965 4.466 -3.575 468 H ILE 67 H ILE 67 -3.519 3.192 -2.883 469 HA ILE 67 HA ILE 67 -4.271 0.720 -4.083 470 HB ILE 67 HB ILE 67 -1.584 2.088 -3.711 471 1HG1 ILE 67 2HG1 ILE 67 -3.418 1.780 -6.111 472 2HG1 ILE 67 1HG1 ILE 67 -3.272 3.224 -5.117 473 1HG2 ILE 67 1HG2 ILE 67 -2.330 -0.393 -5.309 474 2HG2 ILE 67 2HG2 ILE 67 -1.164 -0.304 -3.988 475 3HG2 ILE 67 3HG2 ILE 67 -0.820 0.495 -5.518 476 1HD1 ILE 67 1HD1 ILE 67 -1.726 3.838 -6.682 477 2HD1 ILE 67 2HD1 ILE 67 -1.444 2.177 -7.196 478 3HD1 ILE 67 3HD1 ILE 67 -0.643 2.800 -5.753 479 H LEU 68 H LEU 68 -1.796 1.468 -1.672 480 HA LEU 68 HA LEU 68 -1.130 -1.114 -0.941 481 1HB LEU 68 2HB LEU 68 -0.891 1.559 0.304 482 2HB LEU 68 1HB LEU 68 -0.752 0.198 1.419 483 HG LEU 68 HG LEU 68 0.979 -0.813 -0.110 484 1HD1 LEU 68 1HD1 LEU 68 2.003 0.713 -1.806 485 2HD1 LEU 68 2HD1 LEU 68 0.680 1.845 -1.535 486 3HD1 LEU 68 3HD1 LEU 68 0.351 0.245 -2.202 487 1HD2 LEU 68 1HD2 LEU 68 1.537 1.968 0.955 488 2HD2 LEU 68 2HD2 LEU 68 2.779 0.854 0.393 489 3HD2 LEU 68 3HD2 LEU 68 1.790 0.432 1.785 490 H VAL 69 H VAL 69 -3.520 0.958 0.780 491 HA VAL 69 HA VAL 69 -4.322 -0.977 2.629 492 HB VAL 69 HB VAL 69 -6.322 0.319 2.977 493 1HG1 VAL 69 1HG1 VAL 69 -3.793 1.846 2.398 494 2HG1 VAL 69 2HG1 VAL 69 -4.560 1.507 3.946 495 3HG1 VAL 69 3HG1 VAL 69 -5.246 2.724 2.871 496 1HG2 VAL 69 1HG2 VAL 69 -6.813 2.226 1.366 497 2HG2 VAL 69 2HG2 VAL 69 -7.142 0.607 0.750 498 3HG2 VAL 69 3HG2 VAL 69 -5.679 1.459 0.256 499 H GLY 70 H GLY 70 -5.146 -0.637 -0.744 500 1HA GLY 70 2HA GLY 70 -7.425 -2.398 -0.652 501 2HA GLY 70 1HA GLY 70 -6.610 -1.818 -2.103 502 H GLN 71 H GLN 71 -3.985 -2.727 -1.016 503 HA GLN 71 HA GLN 71 -4.156 -5.490 -1.961 504 1HB GLN 71 2HB GLN 71 -1.776 -3.766 -1.222 505 2HB GLN 71 1HB GLN 71 -1.702 -5.375 -1.937 506 1HG GLN 71 2HG GLN 71 -2.774 -4.624 -3.943 507 2HG GLN 71 1HG GLN 71 -3.177 -3.077 -3.210 508 1HE2 GLN 71 1HE2 GLN 71 -0.603 -2.586 -1.962 509 2HE2 GLN 71 2HE2 GLN 71 0.515 -2.316 -3.207 510 H ILE 72 H ILE 72 -2.932 -3.686 0.834 511 HA ILE 72 HA ILE 72 -2.035 -5.681 2.484 512 HB ILE 72 HB ILE 72 -3.581 -3.155 3.034 513 1HG1 ILE 72 2HG1 ILE 72 -0.806 -3.776 4.027 514 2HG1 ILE 72 1HG1 ILE 72 -1.025 -3.417 2.318 515 1HG2 ILE 72 1HG2 ILE 72 -2.924 -3.501 5.474 516 2HG2 ILE 72 2HG2 ILE 72 -2.627 -5.191 5.062 517 3HG2 ILE 72 3HG2 ILE 72 -4.246 -4.513 4.891 518 1HD1 ILE 72 1HD1 ILE 72 -2.003 -1.276 2.808 519 2HD1 ILE 72 2HD1 ILE 72 -0.518 -1.402 3.742 520 3HD1 ILE 72 3HD1 ILE 72 -2.078 -1.645 4.527 521 H ASP 73 H ASP 73 -5.386 -4.768 1.815 522 HA ASP 73 HA ASP 73 -6.532 -6.718 3.596 523 1HB ASP 73 2HB ASP 73 -7.724 -4.641 2.858 524 2HB ASP 73 1HB ASP 73 -7.816 -5.320 1.234 525 H ASP 74 H ASP 74 -6.119 -6.458 0.072 526 HA ASP 74 HA ASP 74 -7.174 -8.843 -0.762 527 1HB ASP 74 2HB ASP 74 -6.105 -6.945 -2.144 528 2HB ASP 74 1HB ASP 74 -4.582 -7.794 -1.878 529 H ALA 75 H ALA 75 -4.189 -8.193 0.899 530 HA ALA 75 HA ALA 75 -2.972 -10.725 0.424 531 1HB ALA 75 1HB ALA 75 -1.438 -10.061 2.249 532 2HB ALA 75 2HB ALA 75 -2.470 -8.672 2.585 533 3HB ALA 75 3HB ALA 75 -1.628 -8.790 1.041 534 H LEU 76 H LEU 76 -4.500 -9.353 3.378 535 HA LEU 76 HA LEU 76 -4.436 -11.821 4.770 536 1HB LEU 76 2HB LEU 76 -4.772 -9.528 5.823 537 2HB LEU 76 1HB LEU 76 -6.443 -9.627 5.272 538 HG LEU 76 HG LEU 76 -6.330 -12.047 6.464 539 1HD1 LEU 76 1HD1 LEU 76 -4.914 -12.097 8.382 540 2HD1 LEU 76 2HD1 LEU 76 -4.421 -10.418 8.160 541 3HD1 LEU 76 3HD1 LEU 76 -3.881 -11.655 7.025 542 1HD2 LEU 76 1HD2 LEU 76 -7.183 -10.958 8.546 543 2HD2 LEU 76 2HD2 LEU 76 -7.916 -10.288 7.088 544 3HD2 LEU 76 3HD2 LEU 76 -6.645 -9.397 7.927 545 H LYS 77 H LYS 77 -7.155 -10.168 3.106 546 HA LYS 77 HA LYS 77 -9.139 -12.012 3.576 547 1HB LYS 77 2HB LYS 77 -10.320 -11.046 1.817 548 2HB LYS 77 1HB LYS 77 -9.175 -9.812 2.227 549 1HG LYS 77 2HG LYS 77 -9.078 -9.889 -0.108 550 2HG LYS 77 1HG LYS 77 -7.637 -10.733 0.434 551 1HD LYS 77 2HD LYS 77 -9.165 -11.686 -1.533 552 2HD LYS 77 1HD LYS 77 -8.350 -12.757 -0.423 553 1HE LYS 77 2HE LYS 77 -10.726 -13.391 -0.805 554 2HE LYS 77 1HE LYS 77 -10.430 -13.008 0.887 555 1HZ LYS 77 1HZ LYS 77 -12.223 -11.788 -0.900 556 2HZ LYS 77 2HZ LYS 77 -11.076 -10.632 -0.418 557 3HZ LYS 77 3HZ LYS 77 -11.990 -11.462 0.749 558 H LEU 78 H LEU 78 -6.365 -12.371 1.491 559 HA LEU 78 HA LEU 78 -7.256 -14.764 0.203 560 1HB LEU 78 2HB LEU 78 -5.286 -13.106 -0.398 561 2HB LEU 78 1HB LEU 78 -4.345 -14.155 0.653 562 HG LEU 78 HG LEU 78 -4.103 -14.981 -1.596 563 1HD1 LEU 78 1HD1 LEU 78 -4.516 -16.617 0.312 564 2HD1 LEU 78 2HD1 LEU 78 -4.794 -17.244 -1.311 565 3HD1 LEU 78 3HD1 LEU 78 -6.162 -16.778 -0.303 566 1HD2 LEU 78 1HD2 LEU 78 -7.031 -15.542 -1.959 567 2HD2 LEU 78 2HD2 LEU 78 -5.792 -15.196 -3.160 568 3HD2 LEU 78 3HD2 LEU 78 -6.484 -13.885 -2.214 569 H ALA 79 H ALA 79 -4.703 -14.309 2.667 570 HA ALA 79 HA ALA 79 -4.442 -17.001 3.430 571 1HB ALA 79 1HB ALA 79 -3.433 -16.116 5.489 572 2HB ALA 79 2HB ALA 79 -4.087 -14.516 5.140 573 3HB ALA 79 3HB ALA 79 -2.857 -15.217 4.088 574 H ASN 80 H ASN 80 -6.814 -14.602 4.268 575 HA ASN 80 HA ASN 80 -7.861 -15.933 6.567 576 1HB ASN 80 2HB ASN 80 -8.110 -13.454 5.987 577 2HB ASN 80 1HB ASN 80 -9.344 -13.957 4.839 578 1HD2 ASN 80 1HD2 ASN 80 -9.772 -12.350 7.303 579 2HD2 ASN 80 2HD2 ASN 80 -10.839 -13.250 8.268 580 H GLU 81 H GLU 81 -8.215 -16.136 3.152 581 HA GLU 81 HA GLU 81 -10.756 -17.508 3.176 582 1HB GLU 81 2HB GLU 81 -9.971 -16.050 1.289 583 2HB GLU 81 1HB GLU 81 -8.769 -17.285 0.912 584 1HG GLU 81 2HG GLU 81 -10.489 -18.930 0.496 585 2HG GLU 81 1HG GLU 81 -11.743 -17.834 1.075 586 H GLY 82 H GLY 82 -7.352 -18.462 2.467 587 1HA GLY 82 2HA GLY 82 -8.029 -21.173 3.371 588 2HA GLY 82 1HA GLY 82 -7.433 -20.981 1.729 589 H LYS 83 H LYS 83 -5.260 -20.384 1.389 590 HA LYS 83 HA LYS 83 -3.520 -21.028 3.691 591 1HB LYS 83 2HB LYS 83 -3.483 -21.651 0.799 592 2HB LYS 83 1HB LYS 83 -1.904 -21.303 1.492 593 1HG LYS 83 2HG LYS 83 -3.767 -23.209 2.907 594 2HG LYS 83 1HG LYS 83 -2.816 -23.768 1.532 595 1HD LYS 83 2HD LYS 83 -0.757 -23.242 2.610 596 2HD LYS 83 1HD LYS 83 -1.567 -22.309 3.868 597 1HE LYS 83 2HE LYS 83 -0.779 -24.776 4.371 598 2HE LYS 83 1HE LYS 83 -2.338 -24.216 4.969 599 1HZ LYS 83 1HZ LYS 83 -1.978 -25.613 2.380 600 2HZ LYS 83 2HZ LYS 83 -3.443 -25.245 3.156 601 3HZ LYS 83 3HZ LYS 83 -2.394 -26.404 3.821 602 H VAL 84 H VAL 84 -1.767 -19.958 4.254 603 HA VAL 84 HA VAL 84 -1.589 -17.149 3.693 604 HB VAL 84 HB VAL 84 0.161 -19.084 5.235 605 1HG1 VAL 84 1HG1 VAL 84 0.477 -16.128 4.709 606 2HG1 VAL 84 2HG1 VAL 84 1.676 -17.406 4.507 607 3HG1 VAL 84 3HG1 VAL 84 1.191 -16.899 6.126 608 1HG2 VAL 84 1HG2 VAL 84 -2.204 -18.260 6.039 609 2HG2 VAL 84 2HG2 VAL 84 -1.366 -16.741 6.366 610 3HG2 VAL 84 3HG2 VAL 84 -0.849 -18.224 7.166 611 H LYS 85 H LYS 85 0.306 -20.047 2.913 612 HA LYS 85 HA LYS 85 2.481 -18.981 1.618 613 1HB LYS 85 2HB LYS 85 0.961 -21.394 0.611 614 2HB LYS 85 1HB LYS 85 2.684 -21.060 0.440 615 1HG LYS 85 2HG LYS 85 2.632 -20.978 3.086 616 2HG LYS 85 1HG LYS 85 1.151 -21.915 2.889 617 1HD LYS 85 2HD LYS 85 3.879 -22.647 1.773 618 2HD LYS 85 1HD LYS 85 3.090 -23.408 3.155 619 1HE LYS 85 2HE LYS 85 1.202 -24.070 1.654 620 2HE LYS 85 1HE LYS 85 2.102 -23.414 0.287 621 1HZ LYS 85 1HZ LYS 85 2.536 -25.728 0.396 622 2HZ LYS 85 2HZ LYS 85 2.897 -25.658 2.055 623 3HZ LYS 85 3HZ LYS 85 3.940 -24.938 0.924 624 H GLU 86 H GLU 86 -0.814 -19.251 0.465 625 HA GLU 86 HA GLU 86 -0.176 -18.458 -2.246 626 1HB GLU 86 2HB GLU 86 -2.860 -18.480 -0.834 627 2HB GLU 86 1HB GLU 86 -2.593 -18.368 -2.573 628 1HG GLU 86 2HG GLU 86 -1.371 -20.594 -2.406 629 2HG GLU 86 1HG GLU 86 -1.990 -20.707 -0.761 630 H ALA 87 H ALA 87 -1.035 -17.010 0.759 631 HA ALA 87 HA ALA 87 -1.596 -14.388 -0.343 632 1HB ALA 87 1HB ALA 87 -1.089 -15.061 2.554 633 2HB ALA 87 2HB ALA 87 -2.644 -15.352 1.773 634 3HB ALA 87 3HB ALA 87 -2.011 -13.710 1.894 635 H GLN 88 H GLN 88 0.958 -15.876 1.664 636 HA GLN 88 HA GLN 88 2.639 -13.680 1.899 637 1HB GLN 88 2HB GLN 88 4.162 -15.159 2.778 638 2HB GLN 88 1HB GLN 88 2.772 -16.233 2.765 639 1HG GLN 88 2HG GLN 88 4.421 -17.548 1.754 640 2HG GLN 88 1HG GLN 88 3.601 -16.866 0.363 641 1HE2 GLN 88 1HE2 GLN 88 4.883 -14.184 1.136 642 2HE2 GLN 88 2HE2 GLN 88 6.458 -14.290 0.526 643 H ALA 89 H ALA 89 2.178 -15.899 -0.793 644 HA ALA 89 HA ALA 89 4.288 -14.794 -2.400 645 1HB ALA 89 1HB ALA 89 3.408 -17.061 -2.823 646 2HB ALA 89 2HB ALA 89 3.210 -16.033 -4.242 647 3HB ALA 89 3HB ALA 89 1.827 -16.376 -3.202 648 H ALA 90 H ALA 90 0.811 -14.355 -1.995 649 HA ALA 90 HA ALA 90 0.438 -12.471 -4.083 650 1HB ALA 90 1HB ALA 90 -1.676 -12.063 -3.138 651 2HB ALA 90 2HB ALA 90 -1.119 -12.418 -1.503 652 3HB ALA 90 3HB ALA 90 -1.333 -13.727 -2.666 653 H ALA 91 H ALA 91 1.982 -12.305 -1.033 654 HA ALA 91 HA ALA 91 1.704 -9.479 -0.605 655 1HB ALA 91 1HB ALA 91 2.173 -11.320 1.141 656 2HB ALA 91 2HB ALA 91 3.031 -9.788 1.301 657 3HB ALA 91 3HB ALA 91 3.851 -11.191 0.617 658 H GLU 92 H GLU 92 4.104 -11.599 -2.063 659 HA GLU 92 HA GLU 92 6.198 -9.716 -2.309 660 1HB GLU 92 2HB GLU 92 5.667 -11.993 -4.215 661 2HB GLU 92 1HB GLU 92 7.220 -11.264 -3.797 662 1HG GLU 92 2HG GLU 92 6.902 -12.015 -1.449 663 2HG GLU 92 1HG GLU 92 5.410 -12.810 -1.934 664 H GLN 93 H GLN 93 3.570 -10.615 -4.554 665 HA GLN 93 HA GLN 93 4.451 -8.994 -6.679 666 1HB GLN 93 2HB GLN 93 1.966 -8.958 -7.317 667 2HB GLN 93 1HB GLN 93 2.745 -10.535 -7.211 668 1HG GLN 93 2HG GLN 93 1.854 -10.835 -4.941 669 2HG GLN 93 1HG GLN 93 1.101 -9.249 -5.022 670 1HE2 GLN 93 1HE2 GLN 93 -0.928 -9.082 -6.069 671 2HE2 GLN 93 2HE2 GLN 93 -1.693 -10.387 -6.837 672 H LEU 94 H LEU 94 3.334 -8.120 -3.605 673 HA LEU 94 HA LEU 94 2.182 -5.564 -4.369 674 1HB LEU 94 2HB LEU 94 3.073 -6.370 -1.599 675 2HB LEU 94 1HB LEU 94 1.930 -5.110 -2.041 676 HG LEU 94 HG LEU 94 1.555 -8.085 -2.396 677 1HD1 LEU 94 1HD1 LEU 94 -0.326 -7.712 -0.818 678 2HD1 LEU 94 2HD1 LEU 94 0.140 -6.015 -0.690 679 3HD1 LEU 94 3HD1 LEU 94 1.224 -7.269 -0.101 680 1HD2 LEU 94 1HD2 LEU 94 -0.821 -7.214 -3.082 681 2HD2 LEU 94 2HD2 LEU 94 0.472 -7.165 -4.278 682 3HD2 LEU 94 3HD2 LEU 94 0.017 -5.699 -3.423 683 H LYS 95 H LYS 95 4.904 -6.284 -2.156 684 HA LYS 95 HA LYS 95 6.078 -3.845 -2.074 685 1HB LYS 95 2HB LYS 95 8.261 -4.950 -1.784 686 2HB LYS 95 1HB LYS 95 6.991 -5.758 -0.870 687 1HG LYS 95 2HG LYS 95 6.783 -7.463 -2.599 688 2HG LYS 95 1HG LYS 95 7.991 -6.645 -3.588 689 1HD LYS 95 2HD LYS 95 9.593 -6.911 -1.635 690 2HD LYS 95 1HD LYS 95 8.383 -7.965 -0.899 691 1HE LYS 95 2HE LYS 95 9.973 -9.349 -2.108 692 2HE LYS 95 1HE LYS 95 8.435 -9.378 -2.970 693 1HZ LYS 95 1HZ LYS 95 9.245 -8.102 -4.657 694 2HZ LYS 95 2HZ LYS 95 10.670 -8.917 -4.219 695 3HZ LYS 95 3HZ LYS 95 10.399 -7.325 -3.686 696 H THR 96 H THR 96 5.998 -5.986 -4.813 697 HA THR 96 HA THR 96 7.986 -4.562 -6.337 698 HB THR 96 HB THR 96 5.799 -6.282 -7.477 699 HG1 THR 96 1HG THR 96 7.725 -6.940 -5.694 700 1HG2 THR 96 1HG2 THR 96 8.695 -5.861 -8.259 701 2HG2 THR 96 2HG2 THR 96 7.320 -5.058 -9.017 702 3HG2 THR 96 3HG2 THR 96 7.502 -6.808 -9.148 703 H THR 97 H THR 97 4.441 -4.695 -6.291 704 HA THR 97 HA THR 97 3.957 -2.866 -8.365 705 HB THR 97 HB THR 97 2.251 -3.373 -5.917 706 HG1 THR 97 1HG THR 97 2.373 -4.658 -8.443 707 1HG2 THR 97 1HG2 THR 97 0.417 -2.777 -7.532 708 2HG2 THR 97 2HG2 THR 97 1.661 -2.284 -8.681 709 3HG2 THR 97 3HG2 THR 97 1.493 -1.434 -7.145 710 H ILE 98 H ILE 98 4.283 -2.337 -4.839 711 HA ILE 98 HA ILE 98 3.729 0.437 -5.002 712 HB ILE 98 HB ILE 98 4.209 0.557 -2.742 713 1HG1 ILE 98 2HG1 ILE 98 6.376 -1.530 -3.168 714 2HG1 ILE 98 1HG1 ILE 98 6.631 0.190 -2.865 715 1HG2 ILE 98 1HG2 ILE 98 2.714 -1.458 -3.328 716 2HG2 ILE 98 2HG2 ILE 98 3.400 -1.405 -1.705 717 3HG2 ILE 98 3HG2 ILE 98 4.113 -2.452 -2.928 718 1HD1 ILE 98 1HD1 ILE 98 5.482 -1.872 -0.967 719 2HD1 ILE 98 2HD1 ILE 98 5.367 -0.137 -0.679 720 3HD1 ILE 98 3HD1 ILE 98 6.946 -0.914 -0.764 721 H ARG 99 H ARG 99 6.557 -1.488 -5.667 722 HA ARG 99 HA ARG 99 8.387 0.694 -5.491 723 1HB ARG 99 2HB ARG 99 8.545 -2.105 -6.447 724 2HB ARG 99 1HB ARG 99 9.585 -1.002 -7.336 725 1HG ARG 99 2HG ARG 99 9.547 -1.362 -4.319 726 2HG ARG 99 1HG ARG 99 10.787 -1.961 -5.417 727 1HD ARG 99 2HD ARG 99 10.735 0.719 -6.084 728 2HD ARG 99 1HD ARG 99 10.380 0.782 -4.362 729 HE ARG 99 HE ARG 99 12.887 0.022 -5.578 730 1HH1 ARG 99 1HH2 ARG 99 10.801 -0.280 -2.832 731 2HH1 ARG 99 2HH2 ARG 99 12.081 -0.661 -1.730 732 1HH2 ARG 99 1HH1 ARG 99 14.569 -0.478 -4.137 733 2HH2 ARG 99 2HH1 ARG 99 14.214 -0.773 -2.467 734 H ALA 100 H ALA 100 6.081 -0.313 -7.827 735 HA ALA 100 HA ALA 100 7.187 1.137 -10.037 736 1HB ALA 100 1HB ALA 100 5.414 -0.650 -10.243 737 2HB ALA 100 2HB ALA 100 5.014 0.855 -11.070 738 3HB ALA 100 3HB ALA 100 4.272 0.479 -9.515 739 H TYR 101 H TYR 101 4.960 1.801 -7.389 740 HA TYR 101 HA TYR 101 4.422 4.509 -8.229 741 1HB TYR 101 2HB TYR 101 2.661 4.035 -6.858 742 2HB TYR 101 1HB TYR 101 3.501 2.660 -6.151 743 HD1 TYR 101 1HD TYR 101 3.654 6.410 -6.114 744 HD2 TYR 101 2HD TYR 101 3.978 2.769 -3.862 745 HE1 TYR 101 1HE TYR 101 4.023 7.724 -4.041 746 HE2 TYR 101 2HE TYR 101 4.341 4.080 -1.789 747 HH TYR 101 HH TYR 101 4.023 7.587 -1.753 748 H ASN 102 H ASN 102 6.333 3.009 -5.631 749 HA ASN 102 HA ASN 102 7.461 5.333 -4.565 750 1HB ASN 102 2HB ASN 102 7.559 2.848 -3.740 751 2HB ASN 102 1HB ASN 102 9.021 2.757 -4.722 752 1HD2 ASN 102 1HD2 ASN 102 10.074 5.329 -4.309 753 2HD2 ASN 102 2HD2 ASN 102 10.481 5.505 -2.673 754 H GLN 103 H GLN 103 8.567 3.257 -7.211 755 HA GLN 103 HA GLN 103 10.964 4.798 -7.654 756 1HB GLN 103 2HB GLN 103 10.714 2.337 -8.167 757 2HB GLN 103 1HB GLN 103 9.662 2.813 -9.502 758 1HG GLN 103 2HG GLN 103 11.402 3.827 -10.700 759 2HG GLN 103 1HG GLN 103 12.407 4.032 -9.269 760 1HE2 GLN 103 1HE2 GLN 103 10.753 1.048 -10.430 761 2HE2 GLN 103 2HE2 GLN 103 12.183 0.149 -10.588 762 H LYS 104 H LYS 104 7.733 4.580 -9.067 763 HA LYS 104 HA LYS 104 7.987 5.917 -11.442 764 1HB LYS 104 2HB LYS 104 5.777 5.325 -10.968 765 2HB LYS 104 1HB LYS 104 5.837 5.994 -9.343 766 1HG LYS 104 2HG LYS 104 5.478 8.193 -10.081 767 2HG LYS 104 1HG LYS 104 6.092 7.852 -11.700 768 1HD LYS 104 2HD LYS 104 4.097 6.545 -12.224 769 2HD LYS 104 1HD LYS 104 3.498 6.752 -10.577 770 1HE LYS 104 2HE LYS 104 2.409 8.358 -12.087 771 2HE LYS 104 1HE LYS 104 3.427 9.204 -10.922 772 1HZ LYS 104 1HZ LYS 104 3.557 9.699 -13.490 773 2HZ LYS 104 2HZ LYS 104 4.643 8.394 -13.452 774 3HZ LYS 104 3HZ LYS 104 4.934 9.771 -12.500 775 H TYR 105 H TYR 105 7.685 7.385 -8.237 776 HA TYR 105 HA TYR 105 8.601 9.973 -9.352 777 1HB TYR 105 2HB TYR 105 6.778 9.177 -7.192 778 2HB TYR 105 1HB TYR 105 7.939 10.392 -6.662 779 HD1 TYR 105 1HD TYR 105 4.784 9.984 -8.123 780 HD2 TYR 105 2HD TYR 105 8.368 12.309 -8.540 781 HE1 TYR 105 1HE TYR 105 3.515 11.707 -9.349 782 HE2 TYR 105 2HE TYR 105 7.092 14.051 -9.760 783 HH TYR 105 HH TYR 105 4.685 13.847 -11.254 784 H GLY 106 H GLY 106 9.514 7.347 -7.277 785 1HA GLY 106 2HA GLY 106 11.358 8.346 -5.546 786 2HA GLY 106 1HA GLY 106 11.591 6.832 -6.406 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 -15.937 -22.226 5.072 2 2H ALA 1 2HT ALA 1 -14.709 -22.028 6.228 3 3H ALA 1 3HT ALA 1 -14.858 -20.924 4.946 4 HA ALA 1 HA ALA 1 -17.314 -20.863 6.125 5 1HB ALA 1 1HB ALA 1 -16.817 -20.489 8.508 6 2HB ALA 1 2HB ALA 1 -15.124 -20.892 8.225 7 3HB ALA 1 3HB ALA 1 -16.368 -22.126 8.033 8 H ASP 2 H ASP 2 -14.193 -19.481 7.179 9 HA ASP 2 HA ASP 2 -15.171 -16.790 6.757 10 1HB ASP 2 2HB ASP 2 -12.819 -16.178 7.454 11 2HB ASP 2 1HB ASP 2 -13.734 -17.109 8.639 12 H LEU 3 H LEU 3 -14.371 -15.288 5.278 13 HA LEU 3 HA LEU 3 -13.273 -16.464 2.808 14 1HB LEU 3 2HB LEU 3 -14.064 -13.578 2.918 15 2HB LEU 3 1HB LEU 3 -14.338 -14.773 1.651 16 HG LEU 3 HG LEU 3 -15.814 -14.644 4.297 17 1HD1 LEU 3 1HD1 LEU 3 -16.684 -13.956 1.475 18 2HD1 LEU 3 2HD1 LEU 3 -16.401 -12.801 2.778 19 3HD1 LEU 3 3HD1 LEU 3 -17.729 -13.955 2.896 20 1HD2 LEU 3 1HD2 LEU 3 -15.682 -16.940 3.484 21 2HD2 LEU 3 2HD2 LEU 3 -16.112 -16.427 1.855 22 3HD2 LEU 3 3HD2 LEU 3 -17.301 -16.329 3.153 23 H GLU 4 H GLU 4 -12.224 -15.007 5.576 24 HA GLU 4 HA GLU 4 -9.623 -14.429 4.456 25 1HB GLU 4 2HB GLU 4 -9.859 -12.038 5.673 26 2HB GLU 4 1HB GLU 4 -10.278 -12.270 3.980 27 1HG GLU 4 2HG GLU 4 -12.580 -12.318 4.405 28 2HG GLU 4 1HG GLU 4 -12.367 -12.709 6.107 29 H ASP 5 H ASP 5 -10.452 -12.646 7.273 30 HA ASP 5 HA ASP 5 -9.415 -14.801 9.032 31 1HB ASP 5 2HB ASP 5 -8.720 -11.856 9.085 32 2HB ASP 5 1HB ASP 5 -8.225 -13.036 10.299 33 H ASN 6 H ASN 6 -10.198 -14.818 11.153 34 HA ASN 6 HA ASN 6 -12.146 -12.863 12.033 35 1HB ASN 6 2HB ASN 6 -12.993 -15.692 11.370 36 2HB ASN 6 1HB ASN 6 -13.957 -14.560 12.318 37 1HD2 ASN 6 1HD2 ASN 6 -12.601 -15.125 9.067 38 2HD2 ASN 6 2HD2 ASN 6 -13.641 -14.045 8.271 39 H ASP 7 H ASP 7 -12.000 -16.301 12.838 40 HA ASP 7 HA ASP 7 -11.698 -15.776 15.625 41 1HB ASP 7 2HB ASP 7 -11.287 -18.353 14.089 42 2HB ASP 7 1HB ASP 7 -11.478 -18.210 15.836 43 H GLU 8 H GLU 8 -9.511 -17.364 13.292 44 HA GLU 8 HA GLU 8 -7.205 -15.970 14.177 45 1HB GLU 8 2HB GLU 8 -6.043 -17.907 15.251 46 2HB GLU 8 1HB GLU 8 -7.406 -17.298 16.191 47 1HG GLU 8 2HG GLU 8 -8.842 -19.072 15.153 48 2HG GLU 8 1HG GLU 8 -7.401 -19.727 14.378 49 H THR 9 H THR 9 -5.614 -16.183 12.649 50 HA THR 9 HA THR 9 -5.367 -18.573 11.040 51 HB THR 9 HB THR 9 -6.163 -15.986 9.686 52 HG1 THR 9 1HG THR 9 -7.591 -18.147 10.648 53 1HG2 THR 9 1HG2 THR 9 -4.687 -17.359 8.328 54 2HG2 THR 9 2HG2 THR 9 -6.328 -17.493 7.698 55 3HG2 THR 9 3HG2 THR 9 -5.649 -18.795 8.674 56 H GLY 10 H GLY 10 -4.514 -15.187 11.570 57 1HA GLY 10 2HA GLY 10 -1.746 -15.663 11.738 58 2HA GLY 10 1HA GLY 10 -2.115 -15.112 10.106 59 H ASN 11 H ASN 11 -4.385 -13.866 12.204 60 HA ASN 11 HA ASN 11 -3.297 -11.202 11.977 61 1HB ASN 11 2HB ASN 11 -5.384 -10.613 13.309 62 2HB ASN 11 1HB ASN 11 -5.656 -11.374 11.744 63 1HD2 ASN 11 1HD2 ASN 11 -4.470 -13.315 14.435 64 2HD2 ASN 11 2HD2 ASN 11 -5.915 -14.168 14.690 65 H ASP 12 H ASP 12 -3.793 -9.857 14.182 66 HA ASP 12 HA ASP 12 -1.702 -10.642 15.967 67 1HB ASP 12 2HB ASP 12 -2.388 -8.654 17.265 68 2HB ASP 12 1HB ASP 12 -2.188 -8.284 15.553 69 H ASN 13 H ASN 13 -3.260 -12.796 16.001 70 HA ASN 13 HA ASN 13 -4.134 -12.928 18.759 71 1HB ASN 13 2HB ASN 13 -6.145 -12.080 17.495 72 2HB ASN 13 1HB ASN 13 -6.130 -13.591 16.587 73 1HD2 ASN 13 1HD2 ASN 13 -6.659 -12.203 19.815 74 2HD2 ASN 13 2HD2 ASN 13 -7.406 -13.579 20.466 75 H GLY 14 H GLY 14 -2.253 -14.135 16.671 76 1HA GLY 14 2HA GLY 14 -2.195 -16.765 17.708 77 2HA GLY 14 1HA GLY 14 -2.939 -16.789 16.111 78 H LYS 15 H LYS 15 -0.171 -17.502 17.460 79 HA LYS 15 HA LYS 15 1.406 -16.767 15.095 80 1HB LYS 15 2HB LYS 15 2.551 -16.342 17.854 81 2HB LYS 15 1HB LYS 15 3.188 -15.796 16.305 82 1HG LYS 15 2HG LYS 15 1.157 -14.339 16.045 83 2HG LYS 15 1HG LYS 15 0.663 -14.815 17.668 84 1HD LYS 15 2HD LYS 15 1.796 -12.834 18.133 85 2HD LYS 15 1HD LYS 15 3.098 -14.004 18.331 86 1HE LYS 15 2HE LYS 15 3.886 -12.143 16.966 87 2HE LYS 15 1HE LYS 15 3.774 -13.582 15.957 88 1HZ LYS 15 1HZ LYS 15 1.298 -12.451 15.798 89 2HZ LYS 15 2HZ LYS 15 2.517 -12.358 14.619 90 3HZ LYS 15 3HZ LYS 15 2.344 -11.117 15.766 91 H GLY 16 H GLY 16 0.276 -19.243 15.837 92 1HA GLY 16 2HA GLY 16 2.299 -20.870 17.113 93 2HA GLY 16 1HA GLY 16 0.807 -21.441 16.372 94 H GLY 17 H GLY 17 3.292 -19.429 14.865 95 1HA GLY 17 2HA GLY 17 4.590 -21.532 13.450 96 2HA GLY 17 1HA GLY 17 3.367 -20.770 12.438 97 H GLU 18 H GLU 18 6.002 -19.821 14.659 98 HA GLU 18 HA GLU 18 6.415 -17.259 13.575 99 1HB GLU 18 2HB GLU 18 8.801 -17.636 14.569 100 2HB GLU 18 1HB GLU 18 7.417 -17.595 15.660 101 1HG GLU 18 2HG GLU 18 7.362 -19.965 15.853 102 2HG GLU 18 1HG GLU 18 8.441 -20.179 14.477 103 H LYS 19 H LYS 19 6.516 -17.174 11.393 104 HA LYS 19 HA LYS 19 7.166 -17.742 9.224 105 1HB LYS 19 2HB LYS 19 9.263 -16.715 8.745 106 2HB LYS 19 1HB LYS 19 8.539 -15.814 10.071 107 1HG LYS 19 2HG LYS 19 9.939 -17.405 11.603 108 2HG LYS 19 1HG LYS 19 10.858 -17.740 10.145 109 1HD LYS 19 2HD LYS 19 11.968 -15.941 11.289 110 2HD LYS 19 1HD LYS 19 11.189 -15.261 9.864 111 1HE LYS 19 2HE LYS 19 9.651 -14.065 11.117 112 2HE LYS 19 1HE LYS 19 9.591 -15.270 12.403 113 1HZ LYS 19 1HZ LYS 19 12.181 -14.136 12.201 114 2HZ LYS 19 2HZ LYS 19 11.126 -14.174 13.531 115 3HZ LYS 19 3HZ LYS 19 11.019 -12.916 12.393 116 H ALA 20 H ALA 20 9.876 -18.475 8.446 117 HA ALA 20 HA ALA 20 10.324 -21.138 9.511 118 1HB ALA 20 1HB ALA 20 8.441 -21.345 7.806 119 2HB ALA 20 2HB ALA 20 9.851 -22.369 7.538 120 3HB ALA 20 3HB ALA 20 9.630 -20.906 6.582 121 H ASP 21 H ASP 21 11.060 -19.936 6.241 122 HA ASP 21 HA ASP 21 13.740 -19.146 6.990 123 1HB ASP 21 2HB ASP 21 14.855 -20.851 5.574 124 2HB ASP 21 1HB ASP 21 14.051 -21.545 6.981 125 H ASN 22 H ASN 22 12.070 -20.427 4.081 126 HA ASN 22 HA ASN 22 12.975 -18.020 2.604 127 1HB ASN 22 2HB ASN 22 12.531 -19.489 0.574 128 2HB ASN 22 1HB ASN 22 13.897 -19.944 1.587 129 1HD2 ASN 22 1HD2 ASN 22 12.471 -21.809 -0.133 130 2HD2 ASN 22 2HD2 ASN 22 11.737 -22.962 0.873 131 H ALA 23 H ALA 23 10.384 -20.326 1.840 132 HA ALA 23 HA ALA 23 8.671 -18.510 0.676 133 1HB ALA 23 1HB ALA 23 8.380 -20.963 0.570 134 2HB ALA 23 2HB ALA 23 6.891 -20.147 1.050 135 3HB ALA 23 3HB ALA 23 7.877 -20.966 2.262 136 H ALA 24 H ALA 24 8.465 -19.709 4.029 137 HA ALA 24 HA ALA 24 6.368 -18.064 4.864 138 1HB ALA 24 1HB ALA 24 8.672 -18.777 6.671 139 2HB ALA 24 2HB ALA 24 7.524 -19.996 6.118 140 3HB ALA 24 3HB ALA 24 6.961 -18.625 7.071 141 H GLN 25 H GLN 25 9.852 -17.518 5.419 142 HA GLN 25 HA GLN 25 9.859 -15.044 6.520 143 1HB GLN 25 2HB GLN 25 11.801 -16.591 5.744 144 2HB GLN 25 1HB GLN 25 11.735 -15.676 4.246 145 1HG GLN 25 2HG GLN 25 12.345 -13.656 5.296 146 2HG GLN 25 1HG GLN 25 11.933 -14.249 6.903 147 1HE2 GLN 25 1HE2 GLN 25 13.297 -16.470 7.375 148 2HE2 GLN 25 2HE2 GLN 25 14.959 -16.310 7.060 149 H VAL 26 H VAL 26 9.854 -15.656 3.006 150 HA VAL 26 HA VAL 26 9.642 -12.962 2.222 151 HB VAL 26 HB VAL 26 8.990 -15.576 0.853 152 1HG1 VAL 26 1HG1 VAL 26 7.466 -14.064 -0.192 153 2HG1 VAL 26 2HG1 VAL 26 8.874 -14.131 -1.255 154 3HG1 VAL 26 3HG1 VAL 26 8.646 -12.751 -0.180 155 1HG2 VAL 26 1HG2 VAL 26 10.970 -14.863 -0.513 156 2HG2 VAL 26 2HG2 VAL 26 11.353 -15.078 1.192 157 3HG2 VAL 26 3HG2 VAL 26 11.145 -13.458 0.531 158 H LYS 27 H LYS 27 7.058 -15.439 2.217 159 HA LYS 27 HA LYS 27 4.895 -14.004 1.530 160 1HB LYS 27 2HB LYS 27 5.328 -16.426 2.803 161 2HB LYS 27 1HB LYS 27 4.323 -15.565 3.960 162 1HG LYS 27 2HG LYS 27 2.726 -15.063 2.071 163 2HG LYS 27 1HG LYS 27 3.697 -16.121 1.047 164 1HD LYS 27 2HD LYS 27 2.330 -16.937 3.632 165 2HD LYS 27 1HD LYS 27 1.776 -17.342 2.008 166 1HE LYS 27 2HE LYS 27 4.181 -18.354 1.718 167 2HE LYS 27 1HE LYS 27 4.197 -18.350 3.482 168 1HZ LYS 27 1HZ LYS 27 2.334 -19.762 1.673 169 2HZ LYS 27 2HZ LYS 27 1.973 -19.507 3.313 170 3HZ LYS 27 3HZ LYS 27 3.336 -20.419 2.872 171 H ASP 28 H ASP 28 5.936 -14.223 4.941 172 HA ASP 28 HA ASP 28 4.169 -12.322 5.967 173 1HB ASP 28 2HB ASP 28 5.543 -13.831 7.363 174 2HB ASP 28 1HB ASP 28 6.983 -12.922 6.909 175 H ALA 29 H ALA 29 7.174 -11.959 4.233 176 HA ALA 29 HA ALA 29 7.549 -9.188 4.870 177 1HB ALA 29 1HB ALA 29 8.704 -10.517 2.429 178 2HB ALA 29 2HB ALA 29 9.298 -10.926 4.037 179 3HB ALA 29 3HB ALA 29 9.408 -9.265 3.452 180 H LEU 30 H LEU 30 5.491 -10.895 2.699 181 HA LEU 30 HA LEU 30 5.275 -8.731 0.776 182 1HB LEU 30 2HB LEU 30 3.484 -11.136 1.193 183 2HB LEU 30 1HB LEU 30 3.483 -10.069 -0.210 184 HG LEU 30 HG LEU 30 5.875 -11.714 0.684 185 1HD1 LEU 30 1HD1 LEU 30 3.794 -12.961 -0.194 186 2HD1 LEU 30 2HD1 LEU 30 5.335 -13.296 -0.975 187 3HD1 LEU 30 3HD1 LEU 30 4.170 -12.222 -1.748 188 1HD2 LEU 30 1HD2 LEU 30 6.786 -9.959 -0.567 189 2HD2 LEU 30 2HD2 LEU 30 5.353 -9.797 -1.581 190 3HD2 LEU 30 3HD2 LEU 30 6.464 -11.143 -1.830 191 H THR 31 H THR 31 3.098 -10.131 3.250 192 HA THR 31 HA THR 31 1.124 -8.114 2.984 193 HB THR 31 HB THR 31 0.622 -10.221 4.090 194 HG1 THR 31 1HG THR 31 -0.117 -9.195 6.167 195 1HG2 THR 31 1HG2 THR 31 2.923 -10.452 5.104 196 2HG2 THR 31 2HG2 THR 31 1.599 -10.826 6.209 197 3HG2 THR 31 3HG2 THR 31 2.428 -9.272 6.320 198 H LYS 32 H LYS 32 4.171 -8.275 4.643 199 HA LYS 32 HA LYS 32 3.889 -6.311 6.592 200 1HB LYS 32 2HB LYS 32 5.986 -7.454 6.485 201 2HB LYS 32 1HB LYS 32 6.237 -6.986 4.803 202 1HG LYS 32 2HG LYS 32 6.646 -4.720 5.376 203 2HG LYS 32 1HG LYS 32 5.975 -4.921 6.994 204 1HD LYS 32 2HD LYS 32 7.854 -6.151 7.745 205 2HD LYS 32 1HD LYS 32 8.417 -6.456 6.102 206 1HE LYS 32 2HE LYS 32 9.289 -4.309 5.855 207 2HE LYS 32 1HE LYS 32 8.173 -3.603 7.028 208 1HZ LYS 32 1HZ LYS 32 10.779 -4.469 7.463 209 2HZ LYS 32 2HZ LYS 32 9.768 -5.551 8.295 210 3HZ LYS 32 3HZ LYS 32 9.674 -3.885 8.610 211 H MET 33 H MET 33 4.983 -5.859 3.225 212 HA MET 33 HA MET 33 4.964 -3.073 3.187 213 1HB MET 33 2HB MET 33 4.404 -5.097 1.008 214 2HB MET 33 1HB MET 33 4.493 -3.363 0.698 215 1HG MET 33 2HG MET 33 6.777 -3.336 1.697 216 2HG MET 33 1HG MET 33 6.687 -5.087 1.885 217 1HE MET 33 1HE MET 33 5.838 -6.587 -0.120 218 2HE MET 33 2HE MET 33 7.572 -6.677 0.182 219 3HE MET 33 3HE MET 33 6.975 -6.606 -1.475 220 H ARG 34 H ARG 34 2.391 -5.283 2.044 221 HA ARG 34 HA ARG 34 0.343 -3.616 1.465 222 1HB ARG 34 2HB ARG 34 0.293 -6.158 1.587 223 2HB ARG 34 1HB ARG 34 -0.055 -5.979 3.301 224 1HG ARG 34 2HG ARG 34 -2.088 -4.776 2.849 225 2HG ARG 34 1HG ARG 34 -1.713 -4.679 1.125 226 1HD ARG 34 2HD ARG 34 -2.188 -6.941 0.768 227 2HD ARG 34 1HD ARG 34 -1.865 -7.392 2.444 228 HE ARG 34 HE ARG 34 -4.374 -6.427 1.362 229 1HH1 ARG 34 1HH2 ARG 34 -2.357 -6.786 4.149 230 2HH1 ARG 34 2HH2 ARG 34 -3.670 -6.730 5.278 231 1HH2 ARG 34 1HH1 ARG 34 -6.101 -6.355 2.834 232 2HH2 ARG 34 2HH1 ARG 34 -5.790 -6.486 4.533 233 H ALA 35 H ALA 35 0.654 -4.915 4.782 234 HA ALA 35 HA ALA 35 -1.147 -3.151 5.976 235 1HB ALA 35 1HB ALA 35 -0.082 -3.752 8.098 236 2HB ALA 35 2HB ALA 35 1.309 -4.401 7.229 237 3HB ALA 35 3HB ALA 35 -0.267 -5.178 7.077 238 H ALA 36 H ALA 36 2.100 -2.631 4.914 239 HA ALA 36 HA ALA 36 2.558 -0.277 6.530 240 1HB ALA 36 1HB ALA 36 4.320 -1.919 5.490 241 2HB ALA 36 2HB ALA 36 4.681 -0.196 5.572 242 3HB ALA 36 3HB ALA 36 4.143 -0.912 4.055 243 H ALA 37 H ALA 37 1.436 -1.044 3.298 244 HA ALA 37 HA ALA 37 1.517 1.594 2.246 245 1HB ALA 37 1HB ALA 37 1.321 -0.383 0.797 246 2HB ALA 37 2HB ALA 37 -0.032 0.718 0.535 247 3HB ALA 37 3HB ALA 37 -0.257 -0.746 1.494 248 H LEU 38 H LEU 38 -1.025 -0.351 3.810 249 HA LEU 38 HA LEU 38 -3.058 1.628 3.657 250 1HB LEU 38 2HB LEU 38 -2.691 -0.529 5.747 251 2HB LEU 38 1HB LEU 38 -4.186 0.336 5.404 252 HG LEU 38 HG LEU 38 -2.709 -1.250 3.291 253 1HD1 LEU 38 1HD1 LEU 38 -4.339 -3.068 3.733 254 2HD1 LEU 38 2HD1 LEU 38 -4.948 -2.166 5.121 255 3HD1 LEU 38 3HD1 LEU 38 -3.293 -2.774 5.121 256 1HD2 LEU 38 1HD2 LEU 38 -5.480 -0.052 3.541 257 2HD2 LEU 38 2HD2 LEU 38 -5.120 -1.317 2.369 258 3HD2 LEU 38 3HD2 LEU 38 -4.279 0.227 2.281 259 H ASP 39 H ASP 39 -0.637 0.890 6.121 260 HA ASP 39 HA ASP 39 -1.449 2.704 8.094 261 1HB ASP 39 2HB ASP 39 0.233 0.962 8.474 262 2HB ASP 39 1HB ASP 39 1.340 1.773 7.369 263 H ALA 40 H ALA 40 1.210 3.133 5.754 264 HA ALA 40 HA ALA 40 1.694 5.827 6.224 265 1HB ALA 40 1HB ALA 40 2.252 5.553 3.525 266 2HB ALA 40 2HB ALA 40 2.276 3.883 4.084 267 3HB ALA 40 3HB ALA 40 3.341 5.072 4.828 268 H GLN 41 H GLN 41 -0.507 4.365 3.832 269 HA GLN 41 HA GLN 41 -1.432 6.469 2.434 270 1HB GLN 41 2HB GLN 41 -2.431 4.508 1.803 271 2HB GLN 41 1HB GLN 41 -2.554 3.938 3.466 272 1HG GLN 41 2HG GLN 41 -4.518 5.325 3.852 273 2HG GLN 41 1HG GLN 41 -4.357 6.053 2.245 274 1HE2 GLN 41 1HE2 GLN 41 -3.352 2.984 1.735 275 2HE2 GLN 41 2HE2 GLN 41 -4.832 2.236 1.341 276 H LYS 42 H LYS 42 -2.548 5.577 5.713 277 HA LYS 42 HA LYS 42 -3.167 8.360 6.269 278 1HB LYS 42 2HB LYS 42 -5.362 6.314 5.928 279 2HB LYS 42 1HB LYS 42 -5.581 7.758 6.914 280 1HG LYS 42 2HG LYS 42 -4.790 9.070 4.815 281 2HG LYS 42 1HG LYS 42 -5.100 7.574 3.937 282 1HD LYS 42 2HD LYS 42 -7.110 9.089 5.622 283 2HD LYS 42 1HD LYS 42 -7.080 9.014 3.861 284 1HE LYS 42 2HE LYS 42 -8.665 7.371 4.449 285 2HE LYS 42 1HE LYS 42 -7.193 6.436 4.181 286 1HZ LYS 42 1HZ LYS 42 -8.718 6.466 6.457 287 2HZ LYS 42 2HZ LYS 42 -7.359 7.404 6.856 288 3HZ LYS 42 3HZ LYS 42 -7.162 5.812 6.296 289 H ALA 43 H ALA 43 -1.351 7.233 7.662 290 HA ALA 43 HA ALA 43 -2.509 6.950 10.297 291 1HB ALA 43 1HB ALA 43 -1.964 4.748 10.774 292 2HB ALA 43 2HB ALA 43 -0.720 4.669 9.529 293 3HB ALA 43 3HB ALA 43 -2.420 4.603 9.078 294 H THR 44 H THR 44 0.479 6.250 8.491 295 HA THR 44 HA THR 44 2.023 7.806 10.479 296 HB THR 44 HB THR 44 2.918 5.615 8.601 297 HG1 THR 44 1HG THR 44 2.028 5.711 11.229 298 1HG2 THR 44 1HG2 THR 44 4.809 6.963 8.945 299 2HG2 THR 44 2HG2 THR 44 4.943 5.751 10.215 300 3HG2 THR 44 3HG2 THR 44 4.341 7.363 10.598 301 HA PRO 45 HA PRO 45 1.720 10.519 6.628 302 1HB PRO 45 2HB PRO 45 3.049 12.103 8.819 303 2HB PRO 45 1HB PRO 45 1.952 12.666 7.538 304 1HG PRO 45 2HG PRO 45 1.035 12.222 9.985 305 2HG PRO 45 1HG PRO 45 0.078 11.766 8.563 306 1HD PRO 45 2HD PRO 45 1.510 10.012 10.490 307 2HD PRO 45 1HD PRO 45 0.123 9.632 9.447 308 HA PRO 46 HA PRO 46 6.140 9.320 6.192 309 1HB PRO 46 2HB PRO 46 6.037 8.187 3.786 310 2HB PRO 46 1HB PRO 46 5.258 7.399 5.172 311 1HG PRO 46 2HG PRO 46 4.008 9.047 3.009 312 2HG PRO 46 1HG PRO 46 3.463 7.523 3.705 313 1HD PRO 46 2HD PRO 46 2.527 10.035 4.487 314 2HD PRO 46 1HD PRO 46 2.408 8.565 5.480 315 H LYS 47 H LYS 47 5.666 9.653 2.854 316 HA LYS 47 HA LYS 47 7.439 11.871 2.643 317 1HB LYS 47 2HB LYS 47 5.952 10.064 0.791 318 2HB LYS 47 1HB LYS 47 6.419 11.628 0.127 319 1HG LYS 47 2HG LYS 47 8.433 9.941 1.614 320 2HG LYS 47 1HG LYS 47 8.082 9.622 -0.085 321 1HD LYS 47 2HD LYS 47 8.887 11.709 -0.789 322 2HD LYS 47 1HD LYS 47 8.702 12.430 0.810 323 1HE LYS 47 2HE LYS 47 10.643 10.162 0.344 324 2HE LYS 47 1HE LYS 47 11.102 11.832 0.019 325 1HZ LYS 47 1HZ LYS 47 9.868 11.853 2.483 326 2HZ LYS 47 2HZ LYS 47 11.528 12.029 2.168 327 3HZ LYS 47 3HZ LYS 47 10.882 10.494 2.507 328 H LEU 48 H LEU 48 4.010 11.493 2.770 329 HA LEU 48 HA LEU 48 3.392 14.077 1.635 330 1HB LEU 48 2HB LEU 48 1.517 12.504 3.397 331 2HB LEU 48 1HB LEU 48 1.131 13.597 2.064 332 HG LEU 48 HG LEU 48 2.591 10.951 1.724 333 1HD1 LEU 48 1HD1 LEU 48 0.266 10.641 2.535 334 2HD1 LEU 48 2HD1 LEU 48 0.475 10.073 0.879 335 3HD1 LEU 48 3HD1 LEU 48 -0.315 11.618 1.187 336 1HD2 LEU 48 1HD2 LEU 48 1.424 12.995 -0.183 337 2HD2 LEU 48 2HD2 LEU 48 1.822 11.351 -0.680 338 3HD2 LEU 48 3HD2 LEU 48 3.091 12.427 -0.097 339 H GLU 49 H GLU 49 5.301 14.063 3.857 340 HA GLU 49 HA GLU 49 4.209 14.879 6.289 341 1HB GLU 49 2HB GLU 49 6.647 14.479 5.832 342 2HB GLU 49 1HB GLU 49 6.694 16.035 5.002 343 1HG GLU 49 2HG GLU 49 5.973 17.179 7.043 344 2HG GLU 49 1HG GLU 49 5.834 15.635 7.882 345 H ASP 50 H ASP 50 4.353 16.473 3.228 346 HA ASP 50 HA ASP 50 2.644 18.605 4.175 347 1HB ASP 50 2HB ASP 50 5.450 19.185 3.207 348 2HB ASP 50 1HB ASP 50 4.177 20.399 3.313 349 H LYS 51 H LYS 51 1.928 16.712 2.432 350 HA LYS 51 HA LYS 51 1.755 18.174 -0.124 351 1HB LYS 51 2HB LYS 51 2.231 15.192 -0.053 352 2HB LYS 51 1HB LYS 51 2.276 16.270 -1.440 353 1HG LYS 51 2HG LYS 51 4.277 17.384 -0.519 354 2HG LYS 51 1HG LYS 51 4.213 16.333 0.890 355 1HD LYS 51 2HD LYS 51 5.727 15.122 -0.377 356 2HD LYS 51 1HD LYS 51 4.237 14.411 -0.987 357 1HE LYS 51 2HE LYS 51 6.102 16.354 -2.314 358 2HE LYS 51 1HE LYS 51 5.296 14.940 -2.990 359 1HZ LYS 51 1HZ LYS 51 3.213 16.136 -2.955 360 2HZ LYS 51 2HZ LYS 51 4.372 17.008 -3.837 361 3HZ LYS 51 3HZ LYS 51 3.960 17.491 -2.263 362 H SER 52 H SER 52 -0.168 18.030 1.916 363 HA SER 52 HA SER 52 -2.021 16.057 1.956 364 1HB SER 52 2HB SER 52 -1.935 18.681 2.802 365 2HB SER 52 1HB SER 52 -3.310 18.692 1.705 366 HG SER 52 HG SER 52 -2.850 17.088 3.992 367 HA PRO 53 HA PRO 53 -4.298 15.550 -1.794 368 1HB PRO 53 2HB PRO 53 -6.774 16.879 -0.779 369 2HB PRO 53 1HB PRO 53 -6.547 15.226 -1.381 370 1HG PRO 53 2HG PRO 53 -6.865 15.712 1.215 371 2HG PRO 53 1HG PRO 53 -5.750 14.456 0.646 372 1HD PRO 53 2HD PRO 53 -5.122 17.212 1.669 373 2HD PRO 53 1HD PRO 53 -4.263 15.681 1.947 374 H ASP 54 H ASP 54 -2.780 17.912 -1.816 375 HA ASP 54 HA ASP 54 -4.454 19.909 -3.222 376 1HB ASP 54 2HB ASP 54 -2.645 21.466 -2.864 377 2HB ASP 54 1HB ASP 54 -3.044 20.690 -1.334 378 H SER 55 H SER 55 -1.217 18.458 -3.485 379 HA SER 55 HA SER 55 -1.115 18.964 -6.356 380 1HB SER 55 2HB SER 55 1.032 17.384 -5.024 381 2HB SER 55 1HB SER 55 1.164 18.793 -6.080 382 HG SER 55 HG SER 55 1.453 19.864 -4.313 383 HA PRO 56 HA PRO 56 -1.916 14.857 -7.859 384 1HB PRO 56 2HB PRO 56 0.964 14.071 -8.116 385 2HB PRO 56 1HB PRO 56 -0.322 14.070 -9.342 386 1HG PRO 56 2HG PRO 56 1.560 15.933 -9.371 387 2HG PRO 56 1HG PRO 56 -0.126 16.347 -9.733 388 1HD PRO 56 2HD PRO 56 1.422 16.807 -7.206 389 2HD PRO 56 1HD PRO 56 0.257 17.881 -8.015 390 H GLU 57 H GLU 57 -0.987 15.255 -4.872 391 HA GLU 57 HA GLU 57 0.182 12.988 -3.829 392 1HB GLU 57 2HB GLU 57 -0.361 14.740 -2.315 393 2HB GLU 57 1HB GLU 57 -2.060 14.723 -2.772 394 1HG GLU 57 2HG GLU 57 -2.399 12.568 -1.701 395 2HG GLU 57 1HG GLU 57 -0.668 12.388 -1.414 396 H MET 58 H MET 58 -3.318 13.491 -3.907 397 HA MET 58 HA MET 58 -4.217 10.984 -3.373 398 1HB MET 58 2HB MET 58 -5.423 12.734 -5.520 399 2HB MET 58 1HB MET 58 -6.244 11.539 -4.510 400 1HG MET 58 2HG MET 58 -5.698 12.890 -2.495 401 2HG MET 58 1HG MET 58 -4.930 14.110 -3.518 402 1HE MET 58 1HE MET 58 -8.059 11.952 -3.051 403 2HE MET 58 2HE MET 58 -9.350 13.146 -2.948 404 3HE MET 58 3HE MET 58 -8.083 13.122 -1.724 405 H LYS 59 H LYS 59 -3.420 12.232 -6.602 406 HA LYS 59 HA LYS 59 -3.918 9.899 -8.065 407 1HB LYS 59 2HB LYS 59 -1.821 12.042 -8.500 408 2HB LYS 59 1HB LYS 59 -2.199 10.790 -9.676 409 1HG LYS 59 2HG LYS 59 -4.454 12.462 -8.582 410 2HG LYS 59 1HG LYS 59 -3.390 13.169 -9.795 411 1HD LYS 59 2HD LYS 59 -3.864 11.313 -11.326 412 2HD LYS 59 1HD LYS 59 -4.873 10.538 -10.104 413 1HE LYS 59 2HE LYS 59 -6.495 12.283 -10.193 414 2HE LYS 59 1HE LYS 59 -5.415 13.337 -11.107 415 1HZ LYS 59 1HZ LYS 59 -7.291 11.857 -12.242 416 2HZ LYS 59 2HZ LYS 59 -6.008 10.745 -12.288 417 3HZ LYS 59 3HZ LYS 59 -5.845 12.266 -13.027 418 H ASP 60 H ASP 60 -1.191 10.876 -6.106 419 HA ASP 60 HA ASP 60 0.454 8.617 -6.839 420 1HB ASP 60 2HB ASP 60 1.270 10.926 -6.138 421 2HB ASP 60 1HB ASP 60 0.869 10.456 -4.488 422 H PHE 61 H PHE 61 -1.674 9.489 -4.132 423 HA PHE 61 HA PHE 61 -0.931 7.175 -2.584 424 1HB PHE 61 2HB PHE 61 -1.775 8.788 -1.137 425 2HB PHE 61 1HB PHE 61 -2.964 9.362 -2.295 426 HD1 PHE 61 1HD PHE 61 -4.977 9.245 -1.036 427 HD2 PHE 61 2HD PHE 61 -2.390 5.823 -1.214 428 HE1 PHE 61 1HE PHE 61 -6.743 7.862 0.002 429 HE2 PHE 61 2HE PHE 61 -4.160 4.439 -0.179 430 HZ PHE 61 HZ PHE 61 -6.339 5.458 0.429 431 H ARG 62 H ARG 62 -4.010 8.105 -4.199 432 HA ARG 62 HA ARG 62 -5.327 5.704 -4.100 433 1HB ARG 62 2HB ARG 62 -5.214 7.839 -6.217 434 2HB ARG 62 1HB ARG 62 -6.098 6.356 -6.552 435 1HG ARG 62 2HG ARG 62 -7.498 8.219 -5.570 436 2HG ARG 62 1HG ARG 62 -7.561 6.703 -4.675 437 1HD ARG 62 2HD ARG 62 -6.172 7.533 -2.953 438 2HD ARG 62 1HD ARG 62 -5.598 8.869 -3.944 439 HE ARG 62 HE ARG 62 -7.439 10.077 -3.246 440 1HH1 ARG 62 1HH2 ARG 62 -7.982 6.684 -2.843 441 2HH1 ARG 62 2HH2 ARG 62 -9.511 6.881 -2.055 442 1HH2 ARG 62 1HH1 ARG 62 -9.444 10.345 -2.214 443 2HH2 ARG 62 2HH1 ARG 62 -10.339 8.956 -1.699 444 H HIS 63 H HIS 63 -2.773 6.603 -6.415 445 HA HIS 63 HA HIS 63 -2.844 3.954 -7.593 446 1HB HIS 63 2HB HIS 63 -2.247 6.073 -8.844 447 2HB HIS 63 1HB HIS 63 -0.709 6.058 -7.982 448 HD1 HIS 63 1HD HIS 63 -2.405 2.894 -9.119 449 HD2 HIS 63 2HD HIS 63 0.809 5.293 -10.256 450 HE1 HIS 63 1HE HIS 63 -1.120 1.588 -10.868 451 HE2 HIS 63 2HE HIS 63 0.844 3.037 -11.571 452 H GLY 64 H GLY 64 -0.212 5.801 -6.044 453 1HA GLY 64 2HA GLY 64 1.672 3.942 -5.640 454 2HA GLY 64 1HA GLY 64 1.280 5.100 -4.385 455 H PHE 65 H PHE 65 -1.428 3.999 -3.901 456 HA PHE 65 HA PHE 65 -0.576 1.838 -2.146 457 1HB PHE 65 2HB PHE 65 -2.249 2.699 -0.873 458 2HB PHE 65 1HB PHE 65 -2.825 3.687 -2.199 459 HD1 PHE 65 1HD PHE 65 -4.399 2.593 -3.918 460 HD2 PHE 65 2HD PHE 65 -3.445 0.780 -0.157 461 HE1 PHE 65 1HE PHE 65 -6.368 1.157 -4.141 462 HE2 PHE 65 2HE PHE 65 -5.442 -0.676 -0.375 463 HZ PHE 65 HZ PHE 65 -6.894 -0.473 -2.376 464 H ASP 66 H ASP 66 -2.575 2.235 -5.031 465 HA ASP 66 HA ASP 66 -3.424 -0.466 -5.248 466 1HB ASP 66 2HB ASP 66 -4.527 1.323 -6.494 467 2HB ASP 66 1HB ASP 66 -3.035 1.682 -7.366 468 H ILE 67 H ILE 67 -0.614 1.319 -6.362 469 HA ILE 67 HA ILE 67 0.538 -0.567 -8.075 470 HB ILE 67 HB ILE 67 1.829 1.508 -6.276 471 1HG1 ILE 67 2HG1 ILE 67 1.165 1.561 -9.236 472 2HG1 ILE 67 1HG1 ILE 67 0.173 2.297 -7.981 473 1HG2 ILE 67 1HG2 ILE 67 3.720 1.304 -7.950 474 2HG2 ILE 67 2HG2 ILE 67 2.930 -0.145 -8.573 475 3HG2 ILE 67 3HG2 ILE 67 3.519 -0.107 -6.912 476 1HD1 ILE 67 1HD1 ILE 67 1.480 4.134 -7.965 477 2HD1 ILE 67 2HD1 ILE 67 2.378 3.461 -9.322 478 3HD1 ILE 67 3HD1 ILE 67 2.928 3.168 -7.673 479 H LEU 68 H LEU 68 1.536 0.180 -4.753 480 HA LEU 68 HA LEU 68 3.139 -2.072 -4.375 481 1HB LEU 68 2HB LEU 68 1.780 -0.106 -2.605 482 2HB LEU 68 1HB LEU 68 2.284 -1.613 -1.840 483 HG LEU 68 HG LEU 68 4.597 -1.231 -2.876 484 1HD1 LEU 68 1HD1 LEU 68 4.028 0.349 -4.615 485 2HD1 LEU 68 2HD1 LEU 68 5.082 1.168 -3.462 486 3HD1 LEU 68 3HD1 LEU 68 3.345 1.471 -3.438 487 1HD2 LEU 68 1HD2 LEU 68 3.482 0.728 -0.856 488 2HD2 LEU 68 2HD2 LEU 68 5.196 0.592 -1.235 489 3HD2 LEU 68 3HD2 LEU 68 4.340 -0.781 -0.544 490 H VAL 69 H VAL 69 -0.289 -1.608 -3.505 491 HA VAL 69 HA VAL 69 -0.728 -4.189 -2.497 492 HB VAL 69 HB VAL 69 -2.583 -2.144 -3.725 493 1HG1 VAL 69 1HG1 VAL 69 -4.328 -3.428 -2.441 494 2HG1 VAL 69 2HG1 VAL 69 -3.140 -4.723 -2.278 495 3HG1 VAL 69 3HG1 VAL 69 -3.702 -4.227 -3.879 496 1HG2 VAL 69 1HG2 VAL 69 -2.999 -1.460 -1.483 497 2HG2 VAL 69 2HG2 VAL 69 -1.248 -1.648 -1.572 498 3HG2 VAL 69 3HG2 VAL 69 -2.232 -2.900 -0.817 499 H GLY 70 H GLY 70 -0.516 -2.964 -5.741 500 1HA GLY 70 2HA GLY 70 -1.889 -5.212 -6.957 501 2HA GLY 70 1HA GLY 70 -1.032 -3.926 -7.801 502 H GLN 71 H GLN 71 1.438 -4.179 -6.379 503 HA GLN 71 HA GLN 71 2.594 -6.375 -7.862 504 1HB GLN 71 2HB GLN 71 3.857 -4.449 -5.891 505 2HB GLN 71 1HB GLN 71 4.722 -5.549 -6.965 506 1HG GLN 71 2HG GLN 71 3.971 -4.405 -8.910 507 2HG GLN 71 1HG GLN 71 2.760 -3.509 -8.002 508 1HE2 GLN 71 1HE2 GLN 71 4.509 -2.770 -5.772 509 2HE2 GLN 71 2HE2 GLN 71 5.634 -1.661 -6.384 510 H ILE 72 H ILE 72 2.026 -5.512 -4.498 511 HA ILE 72 HA ILE 72 3.285 -7.544 -3.126 512 HB ILE 72 HB ILE 72 0.824 -5.909 -2.728 513 1HG1 ILE 72 2HG1 ILE 72 2.882 -6.519 -0.612 514 2HG1 ILE 72 1HG1 ILE 72 3.338 -5.504 -1.973 515 1HG2 ILE 72 1HG2 ILE 72 -0.124 -7.994 -1.997 516 2HG2 ILE 72 2HG2 ILE 72 0.337 -7.106 -0.547 517 3HG2 ILE 72 3HG2 ILE 72 1.349 -8.429 -1.128 518 1HD1 ILE 72 1HD1 ILE 72 0.869 -4.980 -0.323 519 2HD1 ILE 72 2HD1 ILE 72 1.643 -3.901 -1.474 520 3HD1 ILE 72 3HD1 ILE 72 2.436 -4.267 0.048 521 H ASP 73 H ASP 73 -0.016 -7.649 -4.483 522 HA ASP 73 HA ASP 73 -0.524 -10.358 -3.950 523 1HB ASP 73 2HB ASP 73 -2.241 -8.725 -4.711 524 2HB ASP 73 1HB ASP 73 -1.502 -8.729 -6.311 525 H ASP 74 H ASP 74 0.653 -8.833 -6.952 526 HA ASP 74 HA ASP 74 1.113 -11.063 -8.494 527 1HB ASP 74 2HB ASP 74 1.427 -8.589 -9.093 528 2HB ASP 74 1HB ASP 74 3.041 -8.748 -8.402 529 H ALA 75 H ALA 75 2.959 -9.841 -5.783 530 HA ALA 75 HA ALA 75 5.345 -11.277 -6.230 531 1HB ALA 75 1HB ALA 75 4.850 -9.357 -4.553 532 2HB ALA 75 2HB ALA 75 5.970 -10.629 -4.065 533 3HB ALA 75 3HB ALA 75 4.308 -10.644 -3.478 534 H LEU 76 H LEU 76 2.896 -11.963 -3.719 535 HA LEU 76 HA LEU 76 3.729 -14.572 -3.166 536 1HB LEU 76 2HB LEU 76 2.125 -13.451 -1.734 537 2HB LEU 76 1HB LEU 76 0.951 -13.381 -3.044 538 HG LEU 76 HG LEU 76 1.945 -16.141 -2.501 539 1HD1 LEU 76 1HD1 LEU 76 0.228 -14.747 -0.418 540 2HD1 LEU 76 2HD1 LEU 76 1.913 -15.210 -0.187 541 3HD1 LEU 76 3HD1 LEU 76 0.683 -16.451 -0.430 542 1HD2 LEU 76 1HD2 LEU 76 -0.426 -16.674 -2.710 543 2HD2 LEU 76 2HD2 LEU 76 0.014 -15.549 -3.993 544 3HD2 LEU 76 3HD2 LEU 76 -0.861 -14.970 -2.576 545 H LYS 77 H LYS 77 1.255 -13.416 -5.404 546 HA LYS 77 HA LYS 77 0.170 -15.629 -6.518 547 1HB LYS 77 2HB LYS 77 -0.141 -13.199 -7.141 548 2HB LYS 77 1HB LYS 77 1.311 -13.329 -8.116 549 1HG LYS 77 2HG LYS 77 -0.996 -15.238 -8.491 550 2HG LYS 77 1HG LYS 77 -1.008 -13.656 -9.253 551 1HD LYS 77 2HD LYS 77 0.299 -14.441 -10.937 552 2HD LYS 77 1HD LYS 77 1.585 -14.786 -9.786 553 1HE LYS 77 2HE LYS 77 1.175 -16.880 -10.768 554 2HE LYS 77 1HE LYS 77 0.217 -16.966 -9.288 555 1HZ LYS 77 1HZ LYS 77 -1.449 -15.795 -11.098 556 2HZ LYS 77 2HZ LYS 77 -1.488 -17.423 -10.614 557 3HZ LYS 77 3HZ LYS 77 -0.642 -16.970 -12.015 558 H LEU 78 H LEU 78 3.328 -14.266 -7.415 559 HA LEU 78 HA LEU 78 4.003 -16.338 -9.230 560 1HB LEU 78 2HB LEU 78 5.111 -14.200 -9.339 561 2HB LEU 78 1HB LEU 78 5.753 -14.405 -7.713 562 HG LEU 78 HG LEU 78 7.266 -16.100 -8.390 563 1HD1 LEU 78 1HD1 LEU 78 7.198 -17.026 -10.772 564 2HD1 LEU 78 2HD1 LEU 78 5.592 -16.314 -10.910 565 3HD1 LEU 78 3HD1 LEU 78 5.901 -17.572 -9.714 566 1HD2 LEU 78 1HD2 LEU 78 7.131 -14.327 -10.827 567 2HD2 LEU 78 2HD2 LEU 78 8.566 -15.035 -10.083 568 3HD2 LEU 78 3HD2 LEU 78 7.691 -13.741 -9.265 569 H ALA 79 H ALA 79 5.373 -15.724 -5.962 570 HA ALA 79 HA ALA 79 6.730 -18.162 -5.665 571 1HB ALA 79 1HB ALA 79 6.628 -17.738 -3.260 572 2HB ALA 79 2HB ALA 79 5.330 -16.569 -3.492 573 3HB ALA 79 3HB ALA 79 6.945 -16.227 -4.107 574 H ASN 80 H ASN 80 3.381 -17.455 -5.632 575 HA ASN 80 HA ASN 80 2.565 -19.828 -4.183 576 1HB ASN 80 2HB ASN 80 1.303 -17.611 -4.215 577 2HB ASN 80 1HB ASN 80 0.832 -18.012 -5.865 578 1HD2 ASN 80 1HD2 ASN 80 -1.211 -17.760 -4.026 579 2HD2 ASN 80 2HD2 ASN 80 -1.834 -19.285 -3.617 580 H GLU 81 H GLU 81 3.181 -18.758 -7.392 581 HA GLU 81 HA GLU 81 1.775 -20.853 -8.762 582 1HB GLU 81 2HB GLU 81 2.371 -18.560 -9.697 583 2HB GLU 81 1HB GLU 81 4.019 -19.161 -9.860 584 1HG GLU 81 2HG GLU 81 2.961 -19.555 -11.969 585 2HG GLU 81 1HG GLU 81 3.044 -21.120 -11.162 586 H GLY 82 H GLY 82 5.237 -20.189 -8.043 587 1HA GLY 82 2HA GLY 82 5.726 -23.076 -8.115 588 2HA GLY 82 1HA GLY 82 6.603 -22.086 -9.270 589 H LYS 83 H LYS 83 8.202 -20.636 -8.518 590 HA LYS 83 HA LYS 83 9.295 -21.409 -5.889 591 1HB LYS 83 2HB LYS 83 10.583 -21.952 -7.925 592 2HB LYS 83 1HB LYS 83 10.691 -20.241 -8.289 593 1HG LYS 83 2HG LYS 83 12.730 -20.631 -7.218 594 2HG LYS 83 1HG LYS 83 11.747 -20.053 -5.889 595 1HD LYS 83 2HD LYS 83 12.913 -21.999 -5.108 596 2HD LYS 83 1HD LYS 83 11.235 -22.465 -5.324 597 1HE LYS 83 2HE LYS 83 11.706 -23.816 -7.159 598 2HE LYS 83 1HE LYS 83 13.115 -22.865 -7.630 599 1HZ LYS 83 1HZ LYS 83 13.098 -25.201 -6.178 600 2HZ LYS 83 2HZ LYS 83 13.468 -23.984 -5.051 601 3HZ LYS 83 3HZ LYS 83 14.421 -24.174 -6.445 602 H VAL 84 H VAL 84 9.988 -20.070 -4.398 603 HA VAL 84 HA VAL 84 8.976 -17.399 -4.261 604 HB VAL 84 HB VAL 84 10.938 -18.923 -2.531 605 1HG1 VAL 84 1HG1 VAL 84 10.277 -17.098 -0.846 606 2HG1 VAL 84 2HG1 VAL 84 9.680 -16.193 -2.237 607 3HG1 VAL 84 3HG1 VAL 84 11.386 -16.627 -2.135 608 1HG2 VAL 84 1HG2 VAL 84 8.282 -19.453 -2.815 609 2HG2 VAL 84 2HG2 VAL 84 8.192 -18.187 -1.589 610 3HG2 VAL 84 3HG2 VAL 84 9.133 -19.648 -1.286 611 H LYS 85 H LYS 85 12.201 -18.856 -4.644 612 HA LYS 85 HA LYS 85 13.813 -16.621 -4.609 613 1HB LYS 85 2HB LYS 85 14.134 -18.892 -6.581 614 2HB LYS 85 1HB LYS 85 15.394 -17.837 -5.953 615 1HG LYS 85 2HG LYS 85 15.092 -18.732 -3.705 616 2HG LYS 85 1HG LYS 85 13.723 -19.702 -4.243 617 1HD LYS 85 2HD LYS 85 15.778 -21.066 -4.093 618 2HD LYS 85 1HD LYS 85 15.182 -20.976 -5.749 619 1HE LYS 85 2HE LYS 85 17.734 -20.596 -5.292 620 2HE LYS 85 1HE LYS 85 16.904 -19.539 -6.430 621 1HZ LYS 85 1HZ LYS 85 18.199 -18.228 -4.918 622 2HZ LYS 85 2HZ LYS 85 17.474 -18.968 -3.572 623 3HZ LYS 85 3HZ LYS 85 16.557 -17.964 -4.589 624 H GLU 86 H GLU 86 11.713 -17.773 -7.183 625 HA GLU 86 HA GLU 86 12.652 -15.873 -9.140 626 1HB GLU 86 2HB GLU 86 10.074 -17.465 -9.010 627 2HB GLU 86 1HB GLU 86 10.624 -16.535 -10.405 628 1HG GLU 86 2HG GLU 86 12.565 -17.924 -10.666 629 2HG GLU 86 1HG GLU 86 12.257 -18.727 -9.128 630 H ALA 87 H ALA 87 10.352 -16.003 -6.600 631 HA ALA 87 HA ALA 87 8.967 -13.566 -7.329 632 1HB ALA 87 1HB ALA 87 7.897 -15.484 -6.086 633 2HB ALA 87 2HB ALA 87 7.672 -13.896 -5.352 634 3HB ALA 87 3HB ALA 87 8.862 -15.015 -4.686 635 H GLN 88 H GLN 88 11.233 -14.597 -4.767 636 HA GLN 88 HA GLN 88 11.510 -12.164 -3.452 637 1HB GLN 88 2HB GLN 88 13.250 -13.169 -2.331 638 2HB GLN 88 1HB GLN 88 12.608 -14.606 -3.112 639 1HG GLN 88 2HG GLN 88 14.887 -14.760 -3.608 640 2HG GLN 88 1HG GLN 88 14.260 -13.981 -5.049 641 1HE2 GLN 88 1HE2 GLN 88 13.833 -11.484 -3.322 642 2HE2 GLN 88 2HE2 GLN 88 15.366 -10.770 -3.242 643 H ALA 89 H ALA 89 12.848 -13.285 -6.479 644 HA ALA 89 HA ALA 89 14.531 -10.982 -6.890 645 1HB ALA 89 1HB ALA 89 15.000 -13.131 -8.028 646 2HB ALA 89 2HB ALA 89 14.729 -11.837 -9.195 647 3HB ALA 89 3HB ALA 89 13.456 -13.014 -8.872 648 H ALA 90 H ALA 90 11.320 -12.114 -7.862 649 HA ALA 90 HA ALA 90 10.659 -9.902 -9.504 650 1HB ALA 90 1HB ALA 90 8.609 -11.323 -7.817 651 2HB ALA 90 2HB ALA 90 9.405 -12.164 -9.147 652 3HB ALA 90 3HB ALA 90 8.461 -10.711 -9.465 653 H ALA 91 H ALA 91 11.066 -10.280 -6.138 654 HA ALA 91 HA ALA 91 9.381 -8.139 -5.256 655 1HB ALA 91 1HB ALA 91 10.163 -8.607 -3.119 656 2HB ALA 91 2HB ALA 91 11.765 -9.069 -3.689 657 3HB ALA 91 3HB ALA 91 10.400 -10.158 -3.919 658 H GLU 92 H GLU 92 12.808 -8.490 -6.077 659 HA GLU 92 HA GLU 92 13.666 -5.950 -5.240 660 1HB GLU 92 2HB GLU 92 15.691 -6.517 -6.171 661 2HB GLU 92 1HB GLU 92 14.953 -8.114 -6.200 662 1HG GLU 92 2HG GLU 92 14.122 -7.507 -8.558 663 2HG GLU 92 1HG GLU 92 15.239 -6.151 -8.480 664 H GLN 93 H GLN 93 12.088 -7.021 -8.191 665 HA GLN 93 HA GLN 93 12.509 -4.670 -9.721 666 1HB GLN 93 2HB GLN 93 10.000 -6.319 -9.960 667 2HB GLN 93 1HB GLN 93 10.906 -5.494 -11.224 668 1HG GLN 93 2HG GLN 93 12.746 -7.102 -10.982 669 2HG GLN 93 1HG GLN 93 11.879 -7.918 -9.685 670 1HE2 GLN 93 1HE2 GLN 93 9.387 -8.402 -10.494 671 2HE2 GLN 93 2HE2 GLN 93 9.326 -9.164 -12.011 672 H LEU 94 H LEU 94 10.489 -5.367 -7.040 673 HA LEU 94 HA LEU 94 8.558 -3.278 -7.578 674 1HB LEU 94 2HB LEU 94 8.969 -4.728 -4.963 675 2HB LEU 94 1HB LEU 94 7.524 -3.889 -5.523 676 HG LEU 94 HG LEU 94 8.699 -6.456 -6.610 677 1HD1 LEU 94 1HD1 LEU 94 6.269 -7.191 -6.135 678 2HD1 LEU 94 2HD1 LEU 94 6.167 -5.731 -5.152 679 3HD1 LEU 94 3HD1 LEU 94 7.350 -6.975 -4.760 680 1HD2 LEU 94 1HD2 LEU 94 6.663 -4.588 -7.801 681 2HD2 LEU 94 2HD2 LEU 94 6.598 -6.318 -8.138 682 3HD2 LEU 94 3HD2 LEU 94 8.025 -5.387 -8.585 683 H LYS 95 H LYS 95 10.894 -3.749 -4.873 684 HA LYS 95 HA LYS 95 10.663 -1.260 -3.737 685 1HB LYS 95 2HB LYS 95 12.966 -1.469 -2.945 686 2HB LYS 95 1HB LYS 95 12.141 -3.021 -2.835 687 1HG LYS 95 2HG LYS 95 13.169 -3.716 -4.955 688 2HG LYS 95 1HG LYS 95 14.014 -2.177 -5.064 689 1HD LYS 95 2HD LYS 95 15.014 -2.720 -2.781 690 2HD LYS 95 1HD LYS 95 14.380 -4.353 -2.997 691 1HE LYS 95 2HE LYS 95 15.598 -4.364 -5.253 692 2HE LYS 95 1HE LYS 95 16.434 -2.918 -4.688 693 1HZ LYS 95 1HZ LYS 95 16.394 -5.051 -2.762 694 2HZ LYS 95 2HZ LYS 95 17.694 -4.100 -3.304 695 3HZ LYS 95 3HZ LYS 95 17.204 -5.463 -4.194 696 H THR 96 H THR 96 12.124 -2.105 -6.772 697 HA THR 96 HA THR 96 13.455 0.423 -7.166 698 HB THR 96 HB THR 96 12.595 -1.494 -9.319 699 HG1 THR 96 1HG THR 96 13.669 -2.810 -7.989 700 1HG2 THR 96 1HG2 THR 96 14.608 -0.654 -10.438 701 2HG2 THR 96 2HG2 THR 96 14.989 0.338 -9.031 702 3HG2 THR 96 3HG2 THR 96 13.553 0.688 -9.993 703 H THR 97 H THR 97 10.393 -1.052 -8.130 704 HA THR 97 HA THR 97 9.486 0.999 -9.838 705 HB THR 97 HB THR 97 7.804 -0.838 -8.120 706 HG1 THR 97 1HG THR 97 7.869 -1.891 -10.379 707 1HG2 THR 97 1HG2 THR 97 7.281 0.663 -10.700 708 2HG2 THR 97 2HG2 THR 97 6.516 0.954 -9.137 709 3HG2 THR 97 3HG2 THR 97 6.193 -0.542 -10.012 710 H ILE 98 H ILE 98 8.880 0.419 -6.358 711 HA ILE 98 HA ILE 98 7.279 2.738 -6.038 712 HB ILE 98 HB ILE 98 7.249 2.264 -3.763 713 1HG1 ILE 98 2HG1 ILE 98 10.053 1.136 -4.049 714 2HG1 ILE 98 1HG1 ILE 98 9.629 2.658 -3.262 715 1HG2 ILE 98 1HG2 ILE 98 8.284 -0.389 -4.770 716 2HG2 ILE 98 2HG2 ILE 98 6.703 0.239 -5.235 717 3HG2 ILE 98 3HG2 ILE 98 7.057 -0.095 -3.540 718 1HD1 ILE 98 1HD1 ILE 98 8.962 -0.156 -2.366 719 2HD1 ILE 98 2HD1 ILE 98 8.145 1.263 -1.710 720 3HD1 ILE 98 3HD1 ILE 98 9.886 1.072 -1.500 721 H ARG 99 H ARG 99 10.714 2.158 -6.171 722 HA ARG 99 HA ARG 99 11.466 4.584 -4.914 723 1HB ARG 99 2HB ARG 99 13.021 2.651 -5.227 724 2HB ARG 99 1HB ARG 99 13.052 3.005 -6.952 725 1HG ARG 99 2HG ARG 99 14.996 4.007 -5.806 726 2HG ARG 99 1HG ARG 99 13.954 5.248 -6.496 727 1HD ARG 99 2HD ARG 99 13.388 6.083 -4.432 728 2HD ARG 99 1HD ARG 99 13.305 4.495 -3.689 729 HE ARG 99 HE ARG 99 15.554 6.251 -3.654 730 1HH1 ARG 99 1HH2 ARG 99 14.591 2.934 -3.862 731 2HH1 ARG 99 2HH2 ARG 99 16.054 2.321 -3.165 732 1HH2 ARG 99 1HH1 ARG 99 17.478 5.453 -2.742 733 2HH2 ARG 99 2HH1 ARG 99 17.688 3.746 -2.533 734 H ALA 100 H ALA 100 10.381 3.772 -8.089 735 HA ALA 100 HA ALA 100 11.308 6.168 -9.359 736 1HB ALA 100 1HB ALA 100 10.545 4.159 -10.639 737 2HB ALA 100 2HB ALA 100 9.683 5.625 -11.107 738 3HB ALA 100 3HB ALA 100 8.906 4.443 -10.053 739 H TYR 101 H TYR 101 8.478 5.128 -7.560 740 HA TYR 101 HA TYR 101 7.063 7.626 -7.855 741 1HB TYR 101 2HB TYR 101 5.422 6.122 -7.342 742 2HB TYR 101 1HB TYR 101 6.585 4.973 -6.696 743 HD1 TYR 101 1HD TYR 101 5.057 8.283 -5.814 744 HD2 TYR 101 2HD TYR 101 6.454 4.475 -4.410 745 HE1 TYR 101 1HE TYR 101 4.336 8.866 -3.512 746 HE2 TYR 101 2HE TYR 101 5.727 5.051 -2.112 747 HH TYR 101 HH TYR 101 5.241 6.983 -0.772 748 H ASN 102 H ASN 102 8.728 5.992 -5.163 749 HA ASN 102 HA ASN 102 8.536 8.046 -3.285 750 1HB ASN 102 2HB ASN 102 9.396 5.594 -3.027 751 2HB ASN 102 1HB ASN 102 10.968 6.271 -3.446 752 1HD2 ASN 102 1HD2 ASN 102 10.708 8.795 -2.161 753 2HD2 ASN 102 2HD2 ASN 102 10.655 8.535 -0.485 754 H GLN 103 H GLN 103 10.951 7.474 -5.810 755 HA GLN 103 HA GLN 103 12.574 9.728 -5.000 756 1HB GLN 103 2HB GLN 103 13.481 7.662 -6.144 757 2HB GLN 103 1HB GLN 103 12.675 8.225 -7.608 758 1HG GLN 103 2HG GLN 103 14.019 10.176 -7.735 759 2HG GLN 103 1HG GLN 103 14.598 9.983 -6.081 760 1HE2 GLN 103 1HE2 GLN 103 14.476 7.798 -8.964 761 2HE2 GLN 103 2HE2 GLN 103 16.103 7.333 -8.847 762 H LYS 104 H LYS 104 10.130 9.014 -7.441 763 HA LYS 104 HA LYS 104 10.366 11.105 -9.200 764 1HB LYS 104 2HB LYS 104 8.535 9.745 -9.688 765 2HB LYS 104 1HB LYS 104 7.944 9.769 -8.032 766 1HG LYS 104 2HG LYS 104 6.927 11.875 -8.278 767 2HG LYS 104 1HG LYS 104 7.961 12.318 -9.636 768 1HD LYS 104 2HD LYS 104 6.793 10.817 -11.115 769 2HD LYS 104 1HD LYS 104 5.905 10.096 -9.771 770 1HE LYS 104 2HE LYS 104 4.777 12.235 -9.344 771 2HE LYS 104 1HE LYS 104 5.687 12.990 -10.653 772 1HZ LYS 104 1HZ LYS 104 3.326 12.075 -11.099 773 2HZ LYS 104 2HZ LYS 104 4.105 10.569 -11.186 774 3HZ LYS 104 3HZ LYS 104 4.548 11.819 -12.246 775 H TYR 105 H TYR 105 8.873 11.211 -5.990 776 HA TYR 105 HA TYR 105 8.819 14.167 -6.148 777 1HB TYR 105 2HB TYR 105 7.127 12.147 -4.868 778 2HB TYR 105 1HB TYR 105 7.608 13.397 -3.723 779 HD1 TYR 105 1HD TYR 105 5.277 12.557 -6.257 780 HD2 TYR 105 2HD TYR 105 7.466 15.877 -4.644 781 HE1 TYR 105 1HE TYR 105 3.669 14.119 -7.304 782 HE2 TYR 105 2HE TYR 105 5.849 17.446 -5.679 783 HH TYR 105 HH TYR 105 4.239 17.549 -7.395 784 H GLY 106 H GLY 106 10.346 11.487 -4.518 785 1HA GLY 106 2HA GLY 106 11.875 11.409 -2.770 786 2HA GLY 106 1HA GLY 106 12.620 12.709 -3.694 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 -16.526 -20.017 24.228 2 2H ALA 1 2HT ALA 1 -17.658 -19.754 25.467 3 3H ALA 1 3HT ALA 1 -17.272 -21.338 24.987 4 HA ALA 1 HA ALA 1 -14.887 -20.738 25.662 5 1HB ALA 1 1HB ALA 1 -16.523 -18.692 27.194 6 2HB ALA 1 2HB ALA 1 -15.338 -18.331 25.938 7 3HB ALA 1 3HB ALA 1 -14.816 -19.045 27.463 8 H ASP 2 H ASP 2 -14.283 -21.399 27.917 9 HA ASP 2 HA ASP 2 -16.064 -23.489 28.807 10 1HB ASP 2 2HB ASP 2 -13.417 -22.536 29.925 11 2HB ASP 2 1HB ASP 2 -14.266 -24.002 30.415 12 H LEU 3 H LEU 3 -16.860 -20.621 29.108 13 HA LEU 3 HA LEU 3 -17.999 -19.331 30.632 14 1HB LEU 3 2HB LEU 3 -17.920 -21.691 32.513 15 2HB LEU 3 1HB LEU 3 -19.136 -20.420 32.404 16 HG LEU 3 HG LEU 3 -18.592 -22.580 30.351 17 1HD1 LEU 3 1HD1 LEU 3 -20.755 -23.421 30.951 18 2HD1 LEU 3 2HD1 LEU 3 -21.105 -21.997 31.931 19 3HD1 LEU 3 3HD1 LEU 3 -19.885 -23.154 32.461 20 1HD2 LEU 3 1HD2 LEU 3 -20.695 -21.529 29.291 21 2HD2 LEU 3 2HD2 LEU 3 -19.183 -20.644 29.096 22 3HD2 LEU 3 3HD2 LEU 3 -20.358 -20.125 30.305 23 H GLU 4 H GLU 4 -16.137 -21.416 32.816 24 HA GLU 4 HA GLU 4 -15.216 -19.147 34.339 25 1HB GLU 4 2HB GLU 4 -14.602 -22.105 34.495 26 2HB GLU 4 1HB GLU 4 -14.001 -20.908 35.644 27 1HG GLU 4 2HG GLU 4 -16.333 -20.261 36.173 28 2HG GLU 4 1HG GLU 4 -16.919 -21.486 35.048 29 H ASP 5 H ASP 5 -14.293 -18.486 32.000 30 HA ASP 5 HA ASP 5 -11.703 -19.610 31.394 31 1HB ASP 5 2HB ASP 5 -11.589 -17.785 29.723 32 2HB ASP 5 1HB ASP 5 -13.083 -18.714 29.594 33 H ASN 6 H ASN 6 -9.898 -17.849 31.027 34 HA ASN 6 HA ASN 6 -9.779 -15.785 33.053 35 1HB ASN 6 2HB ASN 6 -7.986 -18.218 33.250 36 2HB ASN 6 1HB ASN 6 -7.785 -16.733 34.179 37 1HD2 ASN 6 1HD2 ASN 6 -9.908 -19.554 33.725 38 2HD2 ASN 6 2HD2 ASN 6 -10.754 -19.358 35.184 39 H ASP 7 H ASP 7 -7.285 -17.779 31.474 40 HA ASP 7 HA ASP 7 -5.832 -15.473 30.596 41 1HB ASP 7 2HB ASP 7 -5.551 -18.369 29.755 42 2HB ASP 7 1HB ASP 7 -4.373 -17.089 29.473 43 H GLU 8 H GLU 8 -7.449 -14.330 29.393 44 HA GLU 8 HA GLU 8 -8.723 -15.442 27.098 45 1HB GLU 8 2HB GLU 8 -9.486 -13.394 28.386 46 2HB GLU 8 1HB GLU 8 -8.169 -12.512 27.613 47 1HG GLU 8 2HG GLU 8 -10.235 -14.049 26.024 48 2HG GLU 8 1HG GLU 8 -10.449 -12.359 26.468 49 H THR 9 H THR 9 -7.071 -16.449 25.891 50 HA THR 9 HA THR 9 -5.747 -14.676 24.025 51 HB THR 9 HB THR 9 -4.032 -16.528 25.690 52 HG1 THR 9 1HG THR 9 -4.348 -14.967 27.090 53 1HG2 THR 9 1HG2 THR 9 -3.425 -14.354 23.670 54 2HG2 THR 9 2HG2 THR 9 -3.193 -16.087 23.441 55 3HG2 THR 9 3HG2 THR 9 -2.212 -15.213 24.618 56 H GLY 10 H GLY 10 -5.063 -17.993 25.136 57 1HA GLY 10 2HA GLY 10 -5.095 -19.011 22.449 58 2HA GLY 10 1HA GLY 10 -4.917 -19.958 23.924 59 H ASN 11 H ASN 11 -7.598 -17.814 23.790 60 HA ASN 11 HA ASN 11 -9.457 -20.017 23.921 61 1HB ASN 11 2HB ASN 11 -11.162 -18.184 24.077 62 2HB ASN 11 1HB ASN 11 -9.895 -18.092 25.300 63 1HD2 ASN 11 1HD2 ASN 11 -11.108 -16.588 22.321 64 2HD2 ASN 11 2HD2 ASN 11 -10.172 -15.179 22.452 65 H ASP 12 H ASP 12 -9.937 -21.077 22.098 66 HA ASP 12 HA ASP 12 -10.543 -21.502 19.922 67 1HB ASP 12 2HB ASP 12 -12.551 -20.263 20.665 68 2HB ASP 12 1HB ASP 12 -11.795 -18.757 20.149 69 H ASN 13 H ASN 13 -8.034 -21.034 19.778 70 HA ASN 13 HA ASN 13 -7.318 -18.669 18.286 71 1HB ASN 13 2HB ASN 13 -5.718 -19.762 19.816 72 2HB ASN 13 1HB ASN 13 -5.733 -21.198 18.793 73 1HD2 ASN 13 1HD2 ASN 13 -5.487 -17.660 18.104 74 2HD2 ASN 13 2HD2 ASN 13 -4.110 -17.810 17.125 75 H GLY 14 H GLY 14 -7.389 -22.161 17.520 76 1HA GLY 14 2HA GLY 14 -7.569 -23.269 15.510 77 2HA GLY 14 1HA GLY 14 -8.631 -21.944 15.039 78 H LYS 15 H LYS 15 -5.156 -22.643 15.450 79 HA LYS 15 HA LYS 15 -4.398 -20.619 13.551 80 1HB LYS 15 2HB LYS 15 -3.045 -21.380 15.568 81 2HB LYS 15 1HB LYS 15 -2.671 -22.841 14.663 82 1HG LYS 15 2HG LYS 15 -1.463 -21.637 13.008 83 2HG LYS 15 1HG LYS 15 -2.156 -20.096 13.501 84 1HD LYS 15 2HD LYS 15 0.228 -20.457 14.252 85 2HD LYS 15 1HD LYS 15 -0.904 -20.097 15.555 86 1HE LYS 15 2HE LYS 15 0.712 -22.033 15.981 87 2HE LYS 15 1HE LYS 15 -0.998 -22.384 16.238 88 1HZ LYS 15 1HZ LYS 15 -0.049 -22.818 13.539 89 2HZ LYS 15 2HZ LYS 15 -1.058 -23.783 14.507 90 3HZ LYS 15 3HZ LYS 15 0.629 -23.852 14.700 91 H GLY 16 H GLY 16 -2.396 -23.169 12.932 92 1HA GLY 16 2HA GLY 16 -2.074 -24.585 11.182 93 2HA GLY 16 1HA GLY 16 -3.830 -24.705 11.065 94 H GLY 17 H GLY 17 -4.880 -23.604 9.553 95 1HA GLY 17 2HA GLY 17 -5.127 -22.612 7.466 96 2HA GLY 17 1HA GLY 17 -4.370 -21.251 8.287 97 H GLU 18 H GLU 18 -2.446 -24.057 8.126 98 HA GLU 18 HA GLU 18 -0.426 -24.456 7.154 99 1HB GLU 18 2HB GLU 18 -0.806 -25.167 5.035 100 2HB GLU 18 1HB GLU 18 -2.433 -24.533 5.242 101 1HG GLU 18 2HG GLU 18 -1.593 -22.319 4.351 102 2HG GLU 18 1HG GLU 18 -0.067 -23.114 3.984 103 H LYS 19 H LYS 19 1.381 -23.466 5.757 104 HA LYS 19 HA LYS 19 1.425 -20.515 6.023 105 1HB LYS 19 2HB LYS 19 3.628 -20.575 6.980 106 2HB LYS 19 1HB LYS 19 2.598 -21.624 7.949 107 1HG LYS 19 2HG LYS 19 3.437 -23.531 6.382 108 2HG LYS 19 1HG LYS 19 4.710 -22.395 5.938 109 1HD LYS 19 2HD LYS 19 5.736 -23.487 7.721 110 2HD LYS 19 1HD LYS 19 4.979 -22.144 8.572 111 1HE LYS 19 2HE LYS 19 4.412 -24.084 9.832 112 2HE LYS 19 1HE LYS 19 2.961 -23.704 8.907 113 1HZ LYS 19 1HZ LYS 19 5.028 -25.680 8.111 114 2HZ LYS 19 2HZ LYS 19 3.596 -25.335 7.266 115 3HZ LYS 19 3HZ LYS 19 3.527 -26.061 8.801 116 H ALA 20 H ALA 20 3.842 -19.933 5.085 117 HA ALA 20 HA ALA 20 3.820 -21.003 2.318 118 1HB ALA 20 1HB ALA 20 3.292 -18.629 2.446 119 2HB ALA 20 2HB ALA 20 4.881 -18.847 1.720 120 3HB ALA 20 3HB ALA 20 4.747 -18.331 3.398 121 H ASP 21 H ASP 21 6.147 -20.419 1.308 122 HA ASP 21 HA ASP 21 8.354 -20.950 3.103 123 1HB ASP 21 2HB ASP 21 7.497 -23.034 1.087 124 2HB ASP 21 1HB ASP 21 9.029 -23.046 1.957 125 H ASN 22 H ASN 22 7.754 -21.645 -0.357 126 HA ASN 22 HA ASN 22 10.040 -19.898 -1.043 127 1HB ASN 22 2HB ASN 22 10.080 -22.288 -1.771 128 2HB ASN 22 1HB ASN 22 8.649 -22.000 -2.729 129 1HD2 ASN 22 1HD2 ASN 22 9.784 -22.407 -4.743 130 2HD2 ASN 22 2HD2 ASN 22 10.952 -21.333 -5.343 131 H ALA 23 H ALA 23 8.215 -20.642 -3.671 132 HA ALA 23 HA ALA 23 7.605 -18.087 -4.481 133 1HB ALA 23 1HB ALA 23 6.271 -20.727 -5.061 134 2HB ALA 23 2HB ALA 23 7.433 -19.850 -6.058 135 3HB ALA 23 3HB ALA 23 5.790 -19.237 -5.875 136 H ALA 24 H ALA 24 5.522 -20.287 -2.594 137 HA ALA 24 HA ALA 24 3.187 -18.803 -2.552 138 1HB ALA 24 1HB ALA 24 2.778 -19.796 -0.306 139 2HB ALA 24 2HB ALA 24 4.450 -20.353 -0.277 140 3HB ALA 24 3HB ALA 24 3.332 -20.989 -1.482 141 H GLN 25 H GLN 25 5.943 -18.558 -0.322 142 HA GLN 25 HA GLN 25 5.078 -16.439 1.252 143 1HB GLN 25 2HB GLN 25 7.036 -17.944 1.584 144 2HB GLN 25 1HB GLN 25 7.903 -17.020 0.361 145 1HG GLN 25 2HG GLN 25 7.525 -14.958 1.710 146 2HG GLN 25 1HG GLN 25 6.797 -15.953 2.972 147 1HE2 GLN 25 1HE2 GLN 25 8.632 -18.209 2.854 148 2HE2 GLN 25 2HE2 GLN 25 10.150 -17.655 3.369 149 H VAL 26 H VAL 26 6.673 -16.431 -1.891 150 HA VAL 26 HA VAL 26 7.217 -13.637 -1.967 151 HB VAL 26 HB VAL 26 7.116 -15.842 -4.015 152 1HG1 VAL 26 1HG1 VAL 26 7.427 -12.886 -4.504 153 2HG1 VAL 26 2HG1 VAL 26 6.368 -14.028 -5.334 154 3HG1 VAL 26 3HG1 VAL 26 8.112 -14.087 -5.598 155 1HG2 VAL 26 1HG2 VAL 26 9.463 -15.598 -4.038 156 2HG2 VAL 26 2HG2 VAL 26 9.025 -15.464 -2.334 157 3HG2 VAL 26 3HG2 VAL 26 9.394 -14.013 -3.269 158 H LYS 27 H LYS 27 4.885 -15.470 -3.953 159 HA LYS 27 HA LYS 27 3.453 -13.418 -5.027 160 1HB LYS 27 2HB LYS 27 2.511 -16.096 -4.025 161 2HB LYS 27 1HB LYS 27 1.462 -14.998 -4.920 162 1HG LYS 27 2HG LYS 27 3.186 -14.953 -6.753 163 2HG LYS 27 1HG LYS 27 4.075 -16.199 -5.880 164 1HD LYS 27 2HD LYS 27 1.187 -16.486 -6.763 165 2HD LYS 27 1HD LYS 27 2.560 -17.097 -7.684 166 1HE LYS 27 2HE LYS 27 3.219 -18.325 -5.492 167 2HE LYS 27 1HE LYS 27 1.564 -17.996 -4.982 168 1HZ LYS 27 1HZ LYS 27 1.425 -20.048 -6.012 169 2HZ LYS 27 2HZ LYS 27 2.505 -19.625 -7.253 170 3HZ LYS 27 3HZ LYS 27 0.933 -18.982 -7.236 171 H ASP 28 H ASP 28 3.011 -14.787 -1.783 172 HA ASP 28 HA ASP 28 0.723 -13.301 -1.082 173 1HB ASP 28 2HB ASP 28 1.542 -15.255 0.192 174 2HB ASP 28 1HB ASP 28 2.931 -14.309 0.727 175 H ALA 29 H ALA 29 4.143 -12.512 -1.043 176 HA ALA 29 HA ALA 29 3.789 -10.080 0.479 177 1HB ALA 29 1HB ALA 29 6.154 -11.048 -1.141 178 2HB ALA 29 2HB ALA 29 5.893 -11.355 0.575 179 3HB ALA 29 3HB ALA 29 6.163 -9.708 0.006 180 H LEU 30 H LEU 30 3.347 -10.969 -2.783 181 HA LEU 30 HA LEU 30 3.990 -8.369 -3.913 182 1HB LEU 30 2HB LEU 30 2.923 -10.979 -4.943 183 2HB LEU 30 1HB LEU 30 2.601 -9.534 -5.893 184 HG LEU 30 HG LEU 30 5.115 -9.057 -5.785 185 1HD1 LEU 30 1HD1 LEU 30 6.606 -10.825 -5.198 186 2HD1 LEU 30 2HD1 LEU 30 5.291 -11.989 -5.068 187 3HD1 LEU 30 3HD1 LEU 30 5.465 -10.723 -3.859 188 1HD2 LEU 30 1HD2 LEU 30 4.267 -9.833 -7.848 189 2HD2 LEU 30 2HD2 LEU 30 3.904 -11.432 -7.205 190 3HD2 LEU 30 3HD2 LEU 30 5.577 -10.956 -7.490 191 H THR 31 H THR 31 1.027 -10.205 -3.186 192 HA THR 31 HA THR 31 -0.682 -8.050 -3.981 193 HB THR 31 HB THR 31 -1.469 -10.354 -4.027 194 HG1 THR 31 1HG THR 31 -3.014 -8.754 -3.696 195 1HG2 THR 31 1HG2 THR 31 -1.329 -10.239 -1.009 196 2HG2 THR 31 2HG2 THR 31 -0.125 -11.052 -2.012 197 3HG2 THR 31 3HG2 THR 31 -1.796 -11.624 -1.999 198 H LYS 32 H LYS 32 1.034 -8.924 -1.124 199 HA LYS 32 HA LYS 32 -0.456 -7.730 0.898 200 1HB LYS 32 2HB LYS 32 1.734 -9.041 1.110 201 2HB LYS 32 1HB LYS 32 2.552 -7.530 0.717 202 1HG LYS 32 2HG LYS 32 0.815 -6.683 2.695 203 2HG LYS 32 1HG LYS 32 1.155 -8.328 3.225 204 1HD LYS 32 2HD LYS 32 2.872 -7.120 4.260 205 2HD LYS 32 1HD LYS 32 3.663 -7.680 2.786 206 1HE LYS 32 2HE LYS 32 4.198 -5.373 2.896 207 2HE LYS 32 1HE LYS 32 2.869 -5.451 1.740 208 1HZ LYS 32 1HZ LYS 32 1.741 -5.243 4.267 209 2HZ LYS 32 2HZ LYS 32 1.750 -4.075 3.034 210 3HZ LYS 32 3HZ LYS 32 2.982 -4.089 4.203 211 H MET 33 H MET 33 2.299 -6.235 -0.797 212 HA MET 33 HA MET 33 1.751 -3.620 0.104 213 1HB MET 33 2HB MET 33 3.053 -3.119 -2.237 214 2HB MET 33 1HB MET 33 3.878 -3.620 -0.763 215 1HG MET 33 2HG MET 33 3.805 -5.956 -1.473 216 2HG MET 33 1HG MET 33 2.897 -5.508 -2.912 217 1HE MET 33 1HE MET 33 6.097 -4.592 -0.867 218 2HE MET 33 2HE MET 33 7.319 -5.142 -2.012 219 3HE MET 33 3HE MET 33 6.118 -6.278 -1.397 220 H ARG 34 H ARG 34 1.018 -5.133 -3.079 221 HA ARG 34 HA ARG 34 -0.373 -3.222 -4.387 222 1HB ARG 34 2HB ARG 34 -0.141 -5.709 -4.978 223 2HB ARG 34 1HB ARG 34 -1.582 -5.954 -3.998 224 1HG ARG 34 2HG ARG 34 -2.899 -4.529 -5.406 225 2HG ARG 34 1HG ARG 34 -1.474 -3.983 -6.297 226 1HD ARG 34 2HD ARG 34 -1.206 -6.061 -7.377 227 2HD ARG 34 1HD ARG 34 -2.180 -6.925 -6.185 228 HE ARG 34 HE ARG 34 -3.932 -5.148 -7.327 229 1HH1 ARG 34 1HH2 ARG 34 -1.741 -7.567 -8.478 230 2HH1 ARG 34 2HH2 ARG 34 -2.691 -7.961 -9.871 231 1HH2 ARG 34 1HH1 ARG 34 -5.183 -5.659 -9.152 232 2HH2 ARG 34 2HH1 ARG 34 -4.640 -6.881 -10.253 233 H ALA 35 H ALA 35 -2.132 -5.483 -2.257 234 HA ALA 35 HA ALA 35 -4.505 -4.027 -2.107 235 1HB ALA 35 1HB ALA 35 -5.004 -5.349 -0.109 236 2HB ALA 35 2HB ALA 35 -3.308 -5.811 0.026 237 3HB ALA 35 3HB ALA 35 -4.266 -6.366 -1.346 238 H ALA 36 H ALA 36 -1.471 -3.509 -0.522 239 HA ALA 36 HA ALA 36 -2.531 -1.809 1.561 240 1HB ALA 36 1HB ALA 36 -0.299 -3.188 1.549 241 2HB ALA 36 2HB ALA 36 -0.338 -1.607 2.326 242 3HB ALA 36 3HB ALA 36 0.356 -1.780 0.716 243 H ALA 37 H ALA 37 -1.211 -1.463 -1.657 244 HA ALA 37 HA ALA 37 -0.878 1.375 -1.565 245 1HB ALA 37 1HB ALA 37 -0.699 1.198 -4.019 246 2HB ALA 37 2HB ALA 37 -1.233 -0.481 -3.936 247 3HB ALA 37 3HB ALA 37 0.308 -0.008 -3.219 248 H LEU 38 H LEU 38 -3.399 -0.821 -2.786 249 HA LEU 38 HA LEU 38 -5.140 1.225 -3.726 250 1HB LEU 38 2HB LEU 38 -5.854 -1.545 -2.731 251 2HB LEU 38 1HB LEU 38 -6.860 -0.515 -3.747 252 HG LEU 38 HG LEU 38 -4.072 -1.341 -4.585 253 1HD1 LEU 38 1HD1 LEU 38 -5.256 -3.416 -4.239 254 2HD1 LEU 38 2HD1 LEU 38 -5.234 -3.097 -5.972 255 3HD1 LEU 38 3HD1 LEU 38 -6.695 -2.786 -5.037 256 1HD2 LEU 38 1HD2 LEU 38 -4.919 0.470 -5.905 257 2HD2 LEU 38 2HD2 LEU 38 -6.521 -0.259 -6.010 258 3HD2 LEU 38 3HD2 LEU 38 -5.165 -0.980 -6.871 259 H ASP 39 H ASP 39 -4.978 -0.552 -0.658 260 HA ASP 39 HA ASP 39 -7.200 0.629 0.591 261 1HB ASP 39 2HB ASP 39 -5.855 -1.368 1.380 262 2HB ASP 39 1HB ASP 39 -4.655 -0.229 1.976 263 H ALA 40 H ALA 40 -3.746 1.450 0.926 264 HA ALA 40 HA ALA 40 -4.095 3.760 2.467 265 1HB ALA 40 1HB ALA 40 -1.938 2.452 1.892 266 2HB ALA 40 2HB ALA 40 -1.830 4.199 2.072 267 3HB ALA 40 3HB ALA 40 -1.869 3.483 0.463 268 H GLN 41 H GLN 41 -3.957 3.367 -1.076 269 HA GLN 41 HA GLN 41 -3.870 5.962 -1.928 270 1HB GLN 41 2HB GLN 41 -3.928 4.069 -3.441 271 2HB GLN 41 1HB GLN 41 -5.567 3.688 -2.948 272 1HG GLN 41 2HG GLN 41 -6.482 5.602 -3.984 273 2HG GLN 41 1HG GLN 41 -4.908 6.385 -4.126 274 1HE2 GLN 41 1HE2 GLN 41 -4.460 3.138 -4.809 275 2HE2 GLN 41 2HE2 GLN 41 -4.599 3.200 -6.508 276 H LYS 42 H LYS 42 -6.731 4.235 -0.664 277 HA LYS 42 HA LYS 42 -7.942 6.816 -0.080 278 1HB LYS 42 2HB LYS 42 -8.482 5.771 -2.508 279 2HB LYS 42 1HB LYS 42 -9.729 4.949 -1.584 280 1HG LYS 42 2HG LYS 42 -10.855 6.912 -2.143 281 2HG LYS 42 1HG LYS 42 -10.158 7.358 -0.590 282 1HD LYS 42 2HD LYS 42 -9.558 9.193 -1.911 283 2HD LYS 42 1HD LYS 42 -8.119 8.185 -2.024 284 1HE LYS 42 2HE LYS 42 -8.851 9.063 -4.240 285 2HE LYS 42 1HE LYS 42 -8.864 7.304 -4.185 286 1HZ LYS 42 1HZ LYS 42 -10.889 8.472 -5.151 287 2HZ LYS 42 2HZ LYS 42 -11.277 8.886 -3.549 288 3HZ LYS 42 3HZ LYS 42 -11.171 7.253 -4.006 289 H ALA 43 H ALA 43 -7.068 5.069 1.804 290 HA ALA 43 HA ALA 43 -9.540 4.483 3.190 291 1HB ALA 43 1HB ALA 43 -9.454 2.181 3.286 292 2HB ALA 43 2HB ALA 43 -7.705 2.125 3.078 293 3HB ALA 43 3HB ALA 43 -8.747 2.419 1.689 294 H THR 44 H THR 44 -6.050 3.702 3.278 295 HA THR 44 HA THR 44 -5.987 4.511 6.120 296 HB THR 44 HB THR 44 -3.964 2.865 4.612 297 HG1 THR 44 1HG THR 44 -5.781 1.835 6.471 298 1HG2 THR 44 1HG2 THR 44 -4.474 3.405 7.548 299 2HG2 THR 44 2HG2 THR 44 -3.074 3.924 6.607 300 3HG2 THR 44 3HG2 THR 44 -3.327 2.211 6.940 301 HA PRO 45 HA PRO 45 -4.124 8.204 3.811 302 1HB PRO 45 2HB PRO 45 -4.361 8.813 6.748 303 2HB PRO 45 1HB PRO 45 -4.497 9.922 5.367 304 1HG PRO 45 2HG PRO 45 -6.675 8.939 6.538 305 2HG PRO 45 1HG PRO 45 -6.599 9.155 4.780 306 1HD PRO 45 2HD PRO 45 -6.625 6.640 6.331 307 2HD PRO 45 1HD PRO 45 -6.981 6.889 4.612 308 HA PRO 46 HA PRO 46 -0.262 6.283 5.477 309 1HB PRO 46 2HB PRO 46 1.181 6.231 3.214 310 2HB PRO 46 1HB PRO 46 -0.185 5.122 3.448 311 1HG PRO 46 2HG PRO 46 -0.120 7.717 1.955 312 2HG PRO 46 1HG PRO 46 -0.759 6.160 1.436 313 1HD PRO 46 2HD PRO 46 -2.345 8.123 2.463 314 2HD PRO 46 1HD PRO 46 -2.730 6.394 2.665 315 H LYS 47 H LYS 47 1.299 8.003 2.983 316 HA LYS 47 HA LYS 47 2.695 9.663 4.856 317 1HB LYS 47 2HB LYS 47 2.895 8.948 1.981 318 2HB LYS 47 1HB LYS 47 3.484 10.561 2.371 319 1HG LYS 47 2HG LYS 47 4.334 8.166 4.000 320 2HG LYS 47 1HG LYS 47 5.159 8.578 2.497 321 1HD LYS 47 2HD LYS 47 5.925 10.640 3.322 322 2HD LYS 47 1HD LYS 47 4.711 10.694 4.599 323 1HE LYS 47 2HE LYS 47 7.087 8.811 4.458 324 2HE LYS 47 1HE LYS 47 6.895 10.168 5.564 325 1HZ LYS 47 1HZ LYS 47 5.422 7.614 5.508 326 2HZ LYS 47 2HZ LYS 47 4.759 8.984 6.263 327 3HZ LYS 47 3HZ LYS 47 6.235 8.343 6.806 328 H LEU 48 H LEU 48 -0.136 9.987 2.989 329 HA LEU 48 HA LEU 48 0.002 12.857 2.697 330 1HB LEU 48 2HB LEU 48 -2.614 11.403 2.549 331 2HB LEU 48 1HB LEU 48 -2.010 12.739 1.559 332 HG LEU 48 HG LEU 48 -1.101 9.839 1.462 333 1HD1 LEU 48 1HD1 LEU 48 -2.584 11.613 -0.500 334 2HD1 LEU 48 2HD1 LEU 48 -3.238 10.217 0.357 335 3HD1 LEU 48 3HD1 LEU 48 -1.989 9.994 -0.868 336 1HD2 LEU 48 1HD2 LEU 48 0.165 10.809 -0.624 337 2HD2 LEU 48 2HD2 LEU 48 0.874 11.028 0.972 338 3HD2 LEU 48 3HD2 LEU 48 0.003 12.352 0.209 339 H GLU 49 H GLU 49 0.580 12.499 5.245 340 HA GLU 49 HA GLU 49 -1.736 12.595 6.959 341 1HB GLU 49 2HB GLU 49 1.178 13.223 7.480 342 2HB GLU 49 1HB GLU 49 -0.073 13.188 8.722 343 1HG GLU 49 2HG GLU 49 0.562 10.856 6.904 344 2HG GLU 49 1HG GLU 49 1.228 11.042 8.523 345 H ASP 50 H ASP 50 0.406 14.940 5.424 346 HA ASP 50 HA ASP 50 -1.521 17.051 5.936 347 1HB ASP 50 2HB ASP 50 -0.157 17.044 8.003 348 2HB ASP 50 1HB ASP 50 1.290 17.286 7.028 349 H LYS 51 H LYS 51 -1.009 16.144 3.497 350 HA LYS 51 HA LYS 51 0.245 18.418 2.217 351 1HB LYS 51 2HB LYS 51 1.746 16.992 0.801 352 2HB LYS 51 1HB LYS 51 2.239 17.100 2.490 353 1HG LYS 51 2HG LYS 51 1.567 14.909 2.971 354 2HG LYS 51 1HG LYS 51 0.448 14.848 1.613 355 1HD LYS 51 2HD LYS 51 2.462 13.475 1.185 356 2HD LYS 51 1HD LYS 51 2.326 14.802 0.033 357 1HE LYS 51 2HE LYS 51 3.948 15.056 2.569 358 2HE LYS 51 1HE LYS 51 4.641 14.417 1.079 359 1HZ LYS 51 1HZ LYS 51 3.883 17.126 1.750 360 2HZ LYS 51 2HZ LYS 51 3.425 16.624 0.193 361 3HZ LYS 51 3HZ LYS 51 5.056 16.563 0.663 362 H SER 52 H SER 52 -2.380 17.308 2.363 363 HA SER 52 HA SER 52 -3.417 15.718 0.494 364 1HB SER 52 2HB SER 52 -4.336 17.945 1.986 365 2HB SER 52 1HB SER 52 -4.948 18.160 0.353 366 HG SER 52 HG SER 52 -5.064 15.595 1.423 367 HA PRO 53 HA PRO 53 -2.926 16.599 -3.809 368 1HB PRO 53 2HB PRO 53 -5.669 17.828 -3.776 369 2HB PRO 53 1HB PRO 53 -4.962 16.699 -4.948 370 1HG PRO 53 2HG PRO 53 -6.612 15.824 -3.080 371 2HG PRO 53 1HG PRO 53 -5.176 14.883 -3.529 372 1HD PRO 53 2HD PRO 53 -5.688 16.451 -1.045 373 2HD PRO 53 1HD PRO 53 -4.645 15.036 -1.294 374 H ASP 54 H ASP 54 -1.754 18.626 -2.297 375 HA ASP 54 HA ASP 54 -2.488 21.168 -3.634 376 1HB ASP 54 2HB ASP 54 -2.362 21.254 -1.196 377 2HB ASP 54 1HB ASP 54 -0.726 20.599 -1.238 378 H SER 55 H SER 55 0.474 19.760 -2.365 379 HA SER 55 HA SER 55 2.199 20.836 -4.375 380 1HB SER 55 2HB SER 55 3.301 18.561 -2.915 381 2HB SER 55 1HB SER 55 3.710 20.273 -2.747 382 HG SER 55 HG SER 55 2.614 20.252 -0.976 383 HA PRO 56 HA PRO 56 2.165 17.644 -7.512 384 1HB PRO 56 2HB PRO 56 4.633 16.292 -7.281 385 2HB PRO 56 1HB PRO 56 4.335 17.754 -8.240 386 1HG PRO 56 2HG PRO 56 5.513 17.485 -5.516 387 2HG PRO 56 1HG PRO 56 5.930 18.610 -6.822 388 1HD PRO 56 2HD PRO 56 4.512 19.427 -4.709 389 2HD PRO 56 1HD PRO 56 4.156 20.055 -6.325 390 H GLU 57 H GLU 57 1.950 16.969 -4.335 391 HA GLU 57 HA GLU 57 2.353 14.458 -3.580 392 1HB GLU 57 2HB GLU 57 0.976 15.862 -2.208 393 2HB GLU 57 1HB GLU 57 -0.260 15.984 -3.456 394 1HG GLU 57 2HG GLU 57 -0.759 13.567 -3.205 395 2HG GLU 57 1HG GLU 57 0.493 13.441 -1.969 396 H MET 58 H MET 58 -0.273 15.353 -5.799 397 HA MET 58 HA MET 58 -1.193 12.722 -6.267 398 1HB MET 58 2HB MET 58 -1.382 15.072 -8.157 399 2HB MET 58 1HB MET 58 -2.443 13.665 -8.077 400 1HG MET 58 2HG MET 58 -3.314 14.328 -5.940 401 2HG MET 58 1HG MET 58 -2.093 15.591 -5.753 402 1HE MET 58 1HE MET 58 -2.374 17.870 -6.303 403 2HE MET 58 2HE MET 58 -3.130 18.487 -7.771 404 3HE MET 58 3HE MET 58 -1.771 17.372 -7.889 405 H LYS 59 H LYS 59 1.055 14.807 -8.060 406 HA LYS 59 HA LYS 59 1.576 13.061 -10.200 407 1HB LYS 59 2HB LYS 59 3.361 15.109 -8.860 408 2HB LYS 59 1HB LYS 59 3.750 14.309 -10.378 409 1HG LYS 59 2HG LYS 59 1.078 15.677 -10.124 410 2HG LYS 59 1HG LYS 59 2.514 16.671 -10.364 411 1HD LYS 59 2HD LYS 59 3.073 15.402 -12.393 412 2HD LYS 59 1HD LYS 59 1.688 14.340 -12.132 413 1HE LYS 59 2HE LYS 59 0.134 16.121 -12.508 414 2HE LYS 59 1HE LYS 59 1.408 17.340 -12.429 415 1HZ LYS 59 1HZ LYS 59 1.680 17.117 -14.599 416 2HZ LYS 59 2HZ LYS 59 0.501 15.896 -14.662 417 3HZ LYS 59 3HZ LYS 59 2.129 15.496 -14.385 418 H ASP 60 H ASP 60 3.272 13.465 -7.114 419 HA ASP 60 HA ASP 60 5.079 11.300 -7.582 420 1HB ASP 60 2HB ASP 60 5.556 13.189 -6.062 421 2HB ASP 60 1HB ASP 60 4.288 12.618 -4.975 422 H PHE 61 H PHE 61 1.984 11.660 -5.918 423 HA PHE 61 HA PHE 61 2.036 9.000 -4.841 424 1HB PHE 61 2HB PHE 61 0.651 10.573 -3.636 425 2HB PHE 61 1HB PHE 61 -0.273 10.954 -5.102 426 HD1 PHE 61 1HD PHE 61 -2.081 9.585 -5.778 427 HD2 PHE 61 2HD PHE 61 0.696 8.196 -2.815 428 HE1 PHE 61 1HE PHE 61 -3.425 7.540 -5.479 429 HE2 PHE 61 2HE PHE 61 -0.666 6.156 -2.497 430 HZ PHE 61 HZ PHE 61 -2.694 5.837 -3.856 431 H ARG 62 H ARG 62 -0.218 10.462 -7.227 432 HA ARG 62 HA ARG 62 -1.440 8.240 -8.196 433 1HB ARG 62 2HB ARG 62 -0.329 10.451 -9.948 434 2HB ARG 62 1HB ARG 62 -1.640 9.353 -10.374 435 1HG ARG 62 2HG ARG 62 -1.873 10.978 -7.845 436 2HG ARG 62 1HG ARG 62 -2.183 11.756 -9.396 437 1HD ARG 62 2HD ARG 62 -3.509 9.127 -8.803 438 2HD ARG 62 1HD ARG 62 -4.147 10.596 -8.073 439 HE ARG 62 HE ARG 62 -3.809 11.145 -10.782 440 1HH1 ARG 62 1HH2 ARG 62 -5.571 8.947 -8.770 441 2HH1 ARG 62 2HH2 ARG 62 -6.902 8.794 -9.868 442 1HH2 ARG 62 1HH1 ARG 62 -5.551 10.949 -12.224 443 2HH2 ARG 62 2HH1 ARG 62 -6.890 9.928 -11.822 444 H HIS 63 H HIS 63 1.823 9.328 -9.004 445 HA HIS 63 HA HIS 63 2.274 7.034 -10.721 446 1HB HIS 63 2HB HIS 63 3.461 9.274 -10.948 447 2HB HIS 63 1HB HIS 63 4.344 8.862 -9.483 448 HD1 HIS 63 1HD HIS 63 6.623 8.156 -10.224 449 HD2 HIS 63 2HD HIS 63 3.644 6.532 -12.647 450 HE1 HIS 63 1HE HIS 63 7.790 6.604 -11.850 451 HE2 HIS 63 2HE HIS 63 5.987 5.605 -13.334 452 H GLY 64 H GLY 64 3.120 8.092 -7.450 453 1HA GLY 64 2HA GLY 64 4.783 6.093 -6.590 454 2HA GLY 64 1HA GLY 64 3.588 6.856 -5.560 455 H PHE 65 H PHE 65 1.172 5.944 -6.487 456 HA PHE 65 HA PHE 65 1.210 3.254 -5.542 457 1HB PHE 65 2HB PHE 65 -1.013 3.654 -5.229 458 2HB PHE 65 1HB PHE 65 -0.874 5.175 -6.087 459 HD1 PHE 65 1HD PHE 65 -0.736 4.865 -8.781 460 HD2 PHE 65 2HD PHE 65 -2.525 2.078 -6.062 461 HE1 PHE 65 1HE PHE 65 -2.049 3.945 -10.626 462 HE2 PHE 65 2HE PHE 65 -3.865 1.148 -7.930 463 HZ PHE 65 HZ PHE 65 -3.613 2.094 -10.209 464 H ASP 66 H ASP 66 1.426 4.750 -8.677 465 HA ASP 66 HA ASP 66 0.938 2.382 -10.207 466 1HB ASP 66 2HB ASP 66 0.824 4.826 -11.010 467 2HB ASP 66 1HB ASP 66 2.580 4.751 -11.138 468 H ILE 67 H ILE 67 3.748 3.880 -8.719 469 HA ILE 67 HA ILE 67 5.754 2.342 -10.013 470 HB ILE 67 HB ILE 67 5.666 3.780 -7.341 471 1HG1 ILE 67 2HG1 ILE 67 7.080 4.361 -9.961 472 2HG1 ILE 67 1HG1 ILE 67 5.579 5.103 -9.424 473 1HG2 ILE 67 1HG2 ILE 67 7.965 2.309 -8.685 474 2HG2 ILE 67 2HG2 ILE 67 7.300 1.998 -7.081 475 3HG2 ILE 67 3HG2 ILE 67 8.188 3.485 -7.390 476 1HD1 ILE 67 1HD1 ILE 67 8.357 5.475 -8.352 477 2HD1 ILE 67 2HD1 ILE 67 6.980 5.725 -7.277 478 3HD1 ILE 67 3HD1 ILE 67 7.144 6.694 -8.741 479 H LEU 68 H LEU 68 4.351 2.089 -6.776 480 HA LEU 68 HA LEU 68 5.444 -0.388 -6.081 481 1HB LEU 68 2HB LEU 68 3.098 1.218 -5.209 482 2HB LEU 68 1HB LEU 68 3.058 -0.493 -4.782 483 HG LEU 68 HG LEU 68 5.401 -0.213 -3.822 484 1HD1 LEU 68 1HD1 LEU 68 6.092 1.794 -4.986 485 2HD1 LEU 68 2HD1 LEU 68 6.046 2.145 -3.260 486 3HD1 LEU 68 3HD1 LEU 68 4.742 2.705 -4.306 487 1HD2 LEU 68 1HD2 LEU 68 4.619 1.051 -1.791 488 2HD2 LEU 68 2HD2 LEU 68 3.567 -0.273 -2.278 489 3HD2 LEU 68 3HD2 LEU 68 3.118 1.392 -2.647 490 H VAL 69 H VAL 69 2.297 0.318 -7.581 491 HA VAL 69 HA VAL 69 1.559 -2.375 -8.011 492 HB VAL 69 HB VAL 69 0.700 0.228 -9.289 493 1HG1 VAL 69 1HG1 VAL 69 -0.396 -2.568 -9.527 494 2HG1 VAL 69 2HG1 VAL 69 0.142 -1.494 -10.824 495 3HG1 VAL 69 3HG1 VAL 69 -1.327 -1.123 -9.927 496 1HG2 VAL 69 1HG2 VAL 69 0.324 -0.218 -6.784 497 2HG2 VAL 69 2HG2 VAL 69 -0.773 -1.502 -7.290 498 3HG2 VAL 69 3HG2 VAL 69 -1.109 0.171 -7.734 499 H GLY 70 H GLY 70 3.760 -0.266 -9.590 500 1HA GLY 70 2HA GLY 70 3.683 -1.630 -12.158 501 2HA GLY 70 1HA GLY 70 4.791 -0.344 -11.685 502 H GLN 71 H GLN 71 5.554 -1.675 -9.194 503 HA GLN 71 HA GLN 71 7.617 -3.414 -10.281 504 1HB GLN 71 2HB GLN 71 7.047 -2.525 -7.438 505 2HB GLN 71 1HB GLN 71 8.478 -3.413 -7.967 506 1HG GLN 71 2HG GLN 71 9.239 -1.601 -9.295 507 2HG GLN 71 1HG GLN 71 7.683 -0.786 -9.211 508 1HE2 GLN 71 1HE2 GLN 71 7.186 -0.958 -6.413 509 2HE2 GLN 71 2HE2 GLN 71 8.374 -0.061 -5.606 510 H ILE 72 H ILE 72 4.951 -3.597 -7.970 511 HA ILE 72 HA ILE 72 5.045 -6.190 -7.098 512 HB ILE 72 HB ILE 72 2.797 -4.339 -7.814 513 1HG1 ILE 72 2HG1 ILE 72 3.077 -5.794 -5.199 514 2HG1 ILE 72 1HG1 ILE 72 4.247 -4.538 -5.572 515 1HG2 ILE 72 1HG2 ILE 72 1.758 -6.363 -8.512 516 2HG2 ILE 72 2HG2 ILE 72 1.201 -6.111 -6.858 517 3HG2 ILE 72 3HG2 ILE 72 2.478 -7.281 -7.188 518 1HD1 ILE 72 1HD1 ILE 72 2.560 -2.870 -5.767 519 2HD1 ILE 72 2HD1 ILE 72 2.172 -3.774 -4.311 520 3HD1 ILE 72 3HD1 ILE 72 1.275 -4.071 -5.797 521 H ASP 73 H ASP 73 3.714 -5.062 -10.207 522 HA ASP 73 HA ASP 73 3.098 -7.679 -11.183 523 1HB ASP 73 2HB ASP 73 2.111 -5.564 -12.087 524 2HB ASP 73 1HB ASP 73 3.683 -5.172 -12.783 525 H ASP 74 H ASP 74 5.780 -5.432 -11.842 526 HA ASP 74 HA ASP 74 7.308 -6.978 -13.532 527 1HB ASP 74 2HB ASP 74 7.680 -4.552 -12.738 528 2HB ASP 74 1HB ASP 74 8.529 -5.273 -11.370 529 H ALA 75 H ALA 75 6.726 -7.258 -10.142 530 HA ALA 75 HA ALA 75 8.998 -8.862 -9.509 531 1HB ALA 75 1HB ALA 75 8.023 -9.125 -7.372 532 2HB ALA 75 2HB ALA 75 6.398 -8.841 -7.990 533 3HB ALA 75 3HB ALA 75 7.547 -7.510 -7.892 534 H LEU 76 H LEU 76 5.520 -9.683 -9.889 535 HA LEU 76 HA LEU 76 5.902 -12.467 -9.708 536 1HB LEU 76 2HB LEU 76 3.673 -11.263 -9.588 537 2HB LEU 76 1HB LEU 76 3.746 -11.141 -11.344 538 HG LEU 76 HG LEU 76 4.231 -13.783 -11.183 539 1HD1 LEU 76 1HD1 LEU 76 2.659 -13.173 -8.651 540 2HD1 LEU 76 2HD1 LEU 76 4.293 -13.833 -8.720 541 3HD1 LEU 76 3HD1 LEU 76 2.933 -14.780 -9.322 542 1HD2 LEU 76 1HD2 LEU 76 1.518 -12.444 -10.861 543 2HD2 LEU 76 2HD2 LEU 76 1.731 -14.141 -11.295 544 3HD2 LEU 76 3HD2 LEU 76 2.319 -12.874 -12.372 545 H LYS 77 H LYS 77 5.447 -10.437 -12.620 546 HA LYS 77 HA LYS 77 5.824 -12.426 -14.535 547 1HB LYS 77 2HB LYS 77 6.071 -10.704 -16.088 548 2HB LYS 77 1HB LYS 77 5.256 -9.904 -14.784 549 1HG LYS 77 2HG LYS 77 6.957 -8.396 -15.325 550 2HG LYS 77 1HG LYS 77 7.540 -9.216 -13.890 551 1HD LYS 77 2HD LYS 77 9.104 -8.789 -16.027 552 2HD LYS 77 1HD LYS 77 9.306 -10.185 -14.999 553 1HE LYS 77 2HE LYS 77 9.352 -10.772 -17.408 554 2HE LYS 77 1HE LYS 77 8.007 -11.562 -16.595 555 1HZ LYS 77 1HZ LYS 77 6.639 -10.570 -18.006 556 2HZ LYS 77 2HZ LYS 77 7.941 -9.784 -18.763 557 3HZ LYS 77 3HZ LYS 77 7.144 -9.047 -17.456 558 H LEU 78 H LEU 78 8.220 -10.832 -12.532 559 HA LEU 78 HA LEU 78 10.424 -12.080 -13.931 560 1HB LEU 78 2HB LEU 78 10.765 -9.939 -12.820 561 2HB LEU 78 1HB LEU 78 10.317 -10.652 -11.272 562 HG LEU 78 HG LEU 78 12.274 -12.030 -11.225 563 1HD1 LEU 78 1HD1 LEU 78 13.943 -11.847 -13.200 564 2HD1 LEU 78 2HD1 LEU 78 12.576 -11.243 -14.133 565 3HD1 LEU 78 3HD1 LEU 78 12.528 -12.866 -13.443 566 1HD2 LEU 78 1HD2 LEU 78 14.013 -10.375 -11.241 567 2HD2 LEU 78 2HD2 LEU 78 12.517 -9.560 -10.779 568 3HD2 LEU 78 3HD2 LEU 78 13.137 -9.401 -12.420 569 H ALA 79 H ALA 79 8.464 -12.641 -11.063 570 HA ALA 79 HA ALA 79 10.002 -14.927 -10.171 571 1HB ALA 79 1HB ALA 79 8.512 -15.045 -8.373 572 2HB ALA 79 2HB ALA 79 7.175 -14.366 -9.303 573 3HB ALA 79 3HB ALA 79 8.487 -13.324 -8.755 574 H ASN 80 H ASN 80 7.837 -14.300 -12.607 575 HA ASN 80 HA ASN 80 6.570 -16.921 -12.687 576 1HB ASN 80 2HB ASN 80 5.445 -14.724 -13.385 577 2HB ASN 80 1HB ASN 80 6.475 -14.777 -14.815 578 1HD2 ASN 80 1HD2 ASN 80 3.402 -15.368 -14.128 579 2HD2 ASN 80 2HD2 ASN 80 3.112 -16.768 -15.042 580 H GLU 81 H GLU 81 9.158 -15.074 -14.039 581 HA GLU 81 HA GLU 81 10.118 -17.396 -15.597 582 1HB GLU 81 2HB GLU 81 9.153 -15.421 -16.966 583 2HB GLU 81 1HB GLU 81 10.586 -14.537 -16.433 584 1HG GLU 81 2HG GLU 81 12.008 -16.375 -17.354 585 2HG GLU 81 1HG GLU 81 10.551 -17.145 -17.982 586 H GLY 82 H GLY 82 10.870 -17.047 -13.002 587 1HA GLY 82 2HA GLY 82 13.617 -17.044 -12.959 588 2HA GLY 82 1HA GLY 82 13.153 -15.362 -12.681 589 H LYS 83 H LYS 83 12.941 -18.622 -11.481 590 HA LYS 83 HA LYS 83 11.289 -18.707 -9.439 591 1HB LYS 83 2HB LYS 83 12.488 -20.443 -8.539 592 2HB LYS 83 1HB LYS 83 13.225 -20.336 -10.126 593 1HG LYS 83 2HG LYS 83 15.207 -20.259 -8.994 594 2HG LYS 83 1HG LYS 83 14.808 -18.577 -8.686 595 1HD LYS 83 2HD LYS 83 15.220 -19.380 -6.521 596 2HD LYS 83 1HD LYS 83 13.475 -19.553 -6.628 597 1HE LYS 83 2HE LYS 83 14.265 -21.627 -5.762 598 2HE LYS 83 1HE LYS 83 13.917 -21.937 -7.462 599 1HZ LYS 83 1HZ LYS 83 16.222 -22.560 -6.314 600 2HZ LYS 83 2HZ LYS 83 16.596 -20.991 -6.850 601 3HZ LYS 83 3HZ LYS 83 16.085 -22.173 -7.959 602 H VAL 84 H VAL 84 11.511 -18.600 -7.100 603 HA VAL 84 HA VAL 84 11.337 -16.111 -6.128 604 HB VAL 84 HB VAL 84 12.336 -18.523 -4.613 605 1HG1 VAL 84 1HG1 VAL 84 10.918 -16.961 -2.817 606 2HG1 VAL 84 2HG1 VAL 84 11.753 -15.731 -3.768 607 3HG1 VAL 84 3HG1 VAL 84 12.680 -16.981 -2.943 608 1HG2 VAL 84 1HG2 VAL 84 10.217 -19.150 -5.382 609 2HG2 VAL 84 2HG2 VAL 84 9.624 -17.492 -5.433 610 3HG2 VAL 84 3HG2 VAL 84 9.784 -18.327 -3.892 611 H LYS 85 H LYS 85 14.405 -17.749 -6.639 612 HA LYS 85 HA LYS 85 15.985 -16.097 -4.971 613 1HB LYS 85 2HB LYS 85 16.567 -17.741 -7.416 614 2HB LYS 85 1HB LYS 85 17.800 -16.629 -6.839 615 1HG LYS 85 2HG LYS 85 16.485 -18.454 -4.836 616 2HG LYS 85 1HG LYS 85 17.698 -19.131 -5.922 617 1HD LYS 85 2HD LYS 85 19.373 -17.601 -5.144 618 2HD LYS 85 1HD LYS 85 18.177 -16.635 -4.278 619 1HE LYS 85 2HE LYS 85 19.560 -18.236 -2.845 620 2HE LYS 85 1HE LYS 85 17.811 -18.358 -2.665 621 1HZ LYS 85 1HZ LYS 85 19.325 -20.460 -3.098 622 2HZ LYS 85 2HZ LYS 85 19.066 -20.011 -4.717 623 3HZ LYS 85 3HZ LYS 85 17.744 -20.352 -3.705 624 H GLU 86 H GLU 86 14.710 -15.608 -8.200 625 HA GLU 86 HA GLU 86 16.178 -13.129 -8.609 626 1HB GLU 86 2HB GLU 86 13.873 -14.237 -10.227 627 2HB GLU 86 1HB GLU 86 15.036 -13.011 -10.729 628 1HG GLU 86 2HG GLU 86 16.841 -14.801 -10.316 629 2HG GLU 86 1HG GLU 86 15.509 -15.955 -10.264 630 H ALA 87 H ALA 87 13.075 -14.184 -7.494 631 HA ALA 87 HA ALA 87 11.804 -11.608 -7.652 632 1HB ALA 87 1HB ALA 87 9.905 -12.636 -6.765 633 2HB ALA 87 2HB ALA 87 10.841 -13.827 -5.868 634 3HB ALA 87 3HB ALA 87 10.687 -13.964 -7.619 635 H GLN 88 H GLN 88 13.140 -13.625 -5.039 636 HA GLN 88 HA GLN 88 12.656 -11.798 -2.948 637 1HB GLN 88 2HB GLN 88 13.741 -13.319 -1.605 638 2HB GLN 88 1HB GLN 88 13.474 -14.351 -3.001 639 1HG GLN 88 2HG GLN 88 15.742 -14.711 -2.566 640 2HG GLN 88 1HG GLN 88 15.808 -13.454 -3.788 641 1HE2 GLN 88 1HE2 GLN 88 14.690 -11.590 -1.598 642 2HE2 GLN 88 2HE2 GLN 88 16.057 -11.157 -0.699 643 H ALA 89 H ALA 89 15.294 -12.121 -5.249 644 HA ALA 89 HA ALA 89 16.897 -10.061 -4.018 645 1HB ALA 89 1HB ALA 89 17.050 -11.268 -6.793 646 2HB ALA 89 2HB ALA 89 17.930 -11.846 -5.378 647 3HB ALA 89 3HB ALA 89 18.279 -10.250 -6.042 648 H ALA 90 H ALA 90 14.716 -10.361 -6.805 649 HA ALA 90 HA ALA 90 15.029 -7.643 -7.628 650 1HB ALA 90 1HB ALA 90 12.986 -8.044 -8.967 651 2HB ALA 90 2HB ALA 90 12.805 -9.606 -8.175 652 3HB ALA 90 3HB ALA 90 14.208 -9.292 -9.193 653 H ALA 91 H ALA 91 13.324 -9.150 -5.077 654 HA ALA 91 HA ALA 91 11.237 -7.191 -4.801 655 1HB ALA 91 1HB ALA 91 10.894 -9.425 -3.931 656 2HB ALA 91 2HB ALA 91 10.877 -8.279 -2.591 657 3HB ALA 91 3HB ALA 91 12.305 -9.272 -2.885 658 H GLU 92 H GLU 92 14.206 -7.887 -2.926 659 HA GLU 92 HA GLU 92 14.012 -5.801 -1.115 660 1HB GLU 92 2HB GLU 92 16.578 -5.894 -1.097 661 2HB GLU 92 1HB GLU 92 15.708 -7.378 -0.703 662 1HG GLU 92 2HG GLU 92 15.996 -8.201 -2.966 663 2HG GLU 92 1HG GLU 92 16.756 -6.688 -3.456 664 H GLN 93 H GLN 93 15.319 -5.695 -4.450 665 HA GLN 93 HA GLN 93 16.340 -3.063 -4.220 666 1HB GLN 93 2HB GLN 93 16.080 -2.989 -6.740 667 2HB GLN 93 1HB GLN 93 17.055 -4.317 -6.108 668 1HG GLN 93 2HG GLN 93 15.146 -5.812 -6.247 669 2HG GLN 93 1HG GLN 93 14.127 -4.500 -6.829 670 1HE2 GLN 93 1HE2 GLN 93 14.184 -4.030 -9.067 671 2HE2 GLN 93 2HE2 GLN 93 15.231 -4.796 -10.163 672 H LEU 94 H LEU 94 13.121 -4.195 -4.238 673 HA LEU 94 HA LEU 94 11.946 -1.785 -5.352 674 1HB LEU 94 2HB LEU 94 10.578 -3.894 -3.658 675 2HB LEU 94 1HB LEU 94 9.806 -2.693 -4.685 676 HG LEU 94 HG LEU 94 11.520 -5.015 -5.577 677 1HD1 LEU 94 1HD1 LEU 94 9.319 -5.782 -5.139 678 2HD1 LEU 94 2HD1 LEU 94 9.365 -5.509 -6.880 679 3HD1 LEU 94 3HD1 LEU 94 8.590 -4.329 -5.824 680 1HD2 LEU 94 1HD2 LEU 94 10.513 -2.595 -7.058 681 2HD2 LEU 94 2HD2 LEU 94 10.769 -4.118 -7.909 682 3HD2 LEU 94 3HD2 LEU 94 12.117 -3.322 -7.100 683 H LYS 95 H LYS 95 12.303 -3.242 -2.131 684 HA LYS 95 HA LYS 95 11.085 -1.288 -0.586 685 1HB LYS 95 2HB LYS 95 13.689 -2.669 0.132 686 2HB LYS 95 1HB LYS 95 12.547 -1.941 1.254 687 1HG LYS 95 2HG LYS 95 12.249 -4.488 -0.341 688 2HG LYS 95 1HG LYS 95 12.076 -4.246 1.388 689 1HD LYS 95 2HD LYS 95 10.051 -2.787 0.859 690 2HD LYS 95 1HD LYS 95 10.159 -3.402 -0.793 691 1HE LYS 95 2HE LYS 95 8.591 -4.774 0.480 692 2HE LYS 95 1HE LYS 95 10.030 -5.721 0.099 693 1HZ LYS 95 1HZ LYS 95 10.759 -5.659 2.250 694 2HZ LYS 95 2HZ LYS 95 9.080 -5.671 2.509 695 3HZ LYS 95 3HZ LYS 95 9.948 -4.214 2.615 696 H THR 96 H THR 96 14.194 -1.240 -2.193 697 HA THR 96 HA THR 96 15.090 1.192 -0.941 698 HB THR 96 HB THR 96 16.019 0.136 -3.598 699 HG1 THR 96 1HG THR 96 16.151 -1.619 -2.310 700 1HG2 THR 96 1HG2 THR 96 16.889 2.318 -2.850 701 2HG2 THR 96 2HG2 THR 96 18.162 1.097 -2.861 702 3HG2 THR 96 3HG2 THR 96 17.420 1.583 -1.336 703 H THR 97 H THR 97 13.495 0.341 -3.985 704 HA THR 97 HA THR 97 13.589 2.848 -5.227 705 HB THR 97 HB THR 97 11.352 0.825 -5.450 706 HG1 THR 97 1HG THR 97 13.953 0.622 -6.015 707 1HG2 THR 97 1HG2 THR 97 12.394 3.041 -7.226 708 2HG2 THR 97 2HG2 THR 97 10.771 2.863 -6.560 709 3HG2 THR 97 3HG2 THR 97 11.335 1.762 -7.816 710 H ILE 98 H ILE 98 11.002 1.445 -3.173 711 HA ILE 98 HA ILE 98 9.393 3.773 -3.270 712 HB ILE 98 HB ILE 98 8.030 2.788 -1.641 713 1HG1 ILE 98 2HG1 ILE 98 10.469 1.272 -0.663 714 2HG1 ILE 98 1HG1 ILE 98 9.676 2.596 0.195 715 1HG2 ILE 98 1HG2 ILE 98 9.494 0.371 -2.714 716 2HG2 ILE 98 2HG2 ILE 98 8.445 1.372 -3.719 717 3HG2 ILE 98 3HG2 ILE 98 7.779 0.517 -2.328 718 1HD1 ILE 98 1HD1 ILE 98 8.849 0.583 1.181 719 2HD1 ILE 98 2HD1 ILE 98 8.586 -0.170 -0.393 720 3HD1 ILE 98 3HD1 ILE 98 7.558 1.165 0.129 721 H ARG 99 H ARG 99 12.197 2.865 -1.400 722 HA ARG 99 HA ARG 99 11.784 4.776 0.652 723 1HB ARG 99 2HB ARG 99 13.364 2.880 0.904 724 2HB ARG 99 1HB ARG 99 14.412 3.610 -0.308 725 1HG ARG 99 2HG ARG 99 15.171 4.137 1.992 726 2HG ARG 99 1HG ARG 99 14.724 5.590 1.103 727 1HD ARG 99 2HD ARG 99 12.884 5.997 2.439 728 2HD ARG 99 1HD ARG 99 12.554 4.288 2.701 729 HE ARG 99 HE ARG 99 14.144 5.988 4.372 730 1HH1 ARG 99 1HH2 ARG 99 13.793 2.775 3.138 731 2HH1 ARG 99 2HH2 ARG 99 14.583 2.024 4.482 732 1HH2 ARG 99 1HH1 ARG 99 15.183 5.010 6.138 733 2HH2 ARG 99 2HH1 ARG 99 15.371 3.289 6.181 734 H ALA 100 H ALA 100 12.913 4.994 -2.592 735 HA ALA 100 HA ALA 100 14.234 7.537 -2.298 736 1HB ALA 100 1HB ALA 100 12.950 6.332 -4.774 737 2HB ALA 100 2HB ALA 100 14.606 6.007 -4.259 738 3HB ALA 100 3HB ALA 100 14.133 7.639 -4.733 739 H TYR 101 H TYR 101 11.016 6.322 -2.979 740 HA TYR 101 HA TYR 101 9.862 8.935 -3.399 741 1HB TYR 101 2HB TYR 101 8.581 7.357 -4.505 742 2HB TYR 101 1HB TYR 101 8.895 6.106 -3.308 743 HD1 TYR 101 1HD TYR 101 7.109 9.377 -3.712 744 HD2 TYR 101 2HD TYR 101 7.220 5.558 -1.754 745 HE1 TYR 101 1HE TYR 101 4.916 9.856 -2.655 746 HE2 TYR 101 2HE TYR 101 5.029 6.036 -0.697 747 HH TYR 101 HH TYR 101 2.962 7.643 -1.394 748 H ASN 102 H ASN 102 9.822 6.497 -0.815 749 HA ASN 102 HA ASN 102 8.278 7.914 1.047 750 1HB ASN 102 2HB ASN 102 9.267 5.417 0.979 751 2HB ASN 102 1HB ASN 102 10.490 6.138 2.016 752 1HD2 ASN 102 1HD2 ASN 102 6.929 5.954 1.708 753 2HD2 ASN 102 2HD2 ASN 102 6.637 5.933 3.378 754 H GLN 103 H GLN 103 11.762 7.876 0.460 755 HA GLN 103 HA GLN 103 12.352 9.649 2.656 756 1HB GLN 103 2HB GLN 103 13.968 7.950 1.757 757 2HB GLN 103 1HB GLN 103 14.078 8.928 0.293 758 1HG GLN 103 2HG GLN 103 15.086 10.737 1.429 759 2HG GLN 103 1HG GLN 103 14.595 10.133 3.010 760 1HE2 GLN 103 1HE2 GLN 103 16.343 8.599 0.239 761 2HE2 GLN 103 2HE2 GLN 103 17.645 8.060 1.184 762 H LYS 104 H LYS 104 11.958 9.889 -0.842 763 HA LYS 104 HA LYS 104 12.912 12.387 -1.414 764 1HB LYS 104 2HB LYS 104 11.947 11.329 -3.259 765 2HB LYS 104 1HB LYS 104 10.470 10.932 -2.389 766 1HG LYS 104 2HG LYS 104 9.555 13.069 -2.684 767 2HG LYS 104 1HG LYS 104 11.137 13.829 -2.868 768 1HD LYS 104 2HD LYS 104 9.899 13.723 -5.020 769 2HD LYS 104 1HD LYS 104 11.400 12.797 -5.080 770 1HE LYS 104 2HE LYS 104 10.256 10.725 -4.872 771 2HE LYS 104 1HE LYS 104 8.764 11.510 -4.355 772 1HZ LYS 104 1HZ LYS 104 8.538 12.488 -6.535 773 2HZ LYS 104 2HZ LYS 104 8.680 10.800 -6.677 774 3HZ LYS 104 3HZ LYS 104 10.005 11.800 -7.038 775 H TYR 105 H TYR 105 9.749 11.621 -0.020 776 HA TYR 105 HA TYR 105 9.379 14.460 0.721 777 1HB TYR 105 2HB TYR 105 7.581 12.232 0.008 778 2HB TYR 105 1HB TYR 105 7.044 13.112 1.437 779 HD1 TYR 105 1HD TYR 105 6.774 13.036 -2.044 780 HD2 TYR 105 2HD TYR 105 7.405 15.804 1.177 781 HE1 TYR 105 1HE TYR 105 5.995 14.883 -3.485 782 HE2 TYR 105 2HE TYR 105 6.609 17.658 -0.266 783 HH TYR 105 HH TYR 105 5.160 17.928 -2.279 784 H GLY 106 H GLY 106 9.961 11.291 2.019 785 1HA GLY 106 2HA GLY 106 9.075 11.375 4.596 786 2HA GLY 106 1HA GLY 106 10.626 10.683 4.145 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 4.398 -31.559 15.543 2 2H ALA 1 2HT ALA 1 5.449 -30.411 14.859 3 3H ALA 1 3HT ALA 1 5.049 -31.820 13.998 4 HA ALA 1 HA ALA 1 2.631 -30.660 14.585 5 1HB ALA 1 1HB ALA 1 4.642 -28.615 13.592 6 2HB ALA 1 2HB ALA 1 3.862 -28.598 15.174 7 3HB ALA 1 3HB ALA 1 2.899 -28.371 13.714 8 H ASP 2 H ASP 2 1.881 -29.531 12.324 9 HA ASP 2 HA ASP 2 3.170 -30.678 10.001 10 1HB ASP 2 2HB ASP 2 1.963 -32.639 10.771 11 2HB ASP 2 1HB ASP 2 0.472 -31.709 10.908 12 H LEU 3 H LEU 3 -0.030 -29.481 11.085 13 HA LEU 3 HA LEU 3 0.166 -27.064 9.616 14 1HB LEU 3 2HB LEU 3 -1.555 -27.552 7.891 15 2HB LEU 3 1HB LEU 3 -0.064 -28.460 7.659 16 HG LEU 3 HG LEU 3 -1.446 -30.240 9.219 17 1HD1 LEU 3 1HD1 LEU 3 -3.775 -30.339 8.304 18 2HD1 LEU 3 2HD1 LEU 3 -3.519 -28.755 7.574 19 3HD1 LEU 3 3HD1 LEU 3 -3.495 -28.933 9.328 20 1HD2 LEU 3 1HD2 LEU 3 -1.661 -29.937 6.206 21 2HD2 LEU 3 2HD2 LEU 3 -2.026 -31.411 7.104 22 3HD2 LEU 3 3HD2 LEU 3 -0.380 -30.777 7.080 23 H GLU 4 H GLU 4 -1.168 -29.038 11.872 24 HA GLU 4 HA GLU 4 -3.819 -27.898 12.010 25 1HB GLU 4 2HB GLU 4 -2.251 -29.596 13.965 26 2HB GLU 4 1HB GLU 4 -3.942 -29.135 14.167 27 1HG GLU 4 2HG GLU 4 -4.478 -30.229 12.003 28 2HG GLU 4 1HG GLU 4 -2.795 -30.734 11.860 29 H ASP 5 H ASP 5 -2.535 -25.689 11.890 30 HA ASP 5 HA ASP 5 -1.520 -24.741 14.430 31 1HB ASP 5 2HB ASP 5 -1.392 -22.553 13.251 32 2HB ASP 5 1HB ASP 5 -0.570 -23.847 12.382 33 H ASN 6 H ASN 6 -3.505 -25.319 15.631 34 HA ASN 6 HA ASN 6 -5.221 -23.002 15.897 35 1HB ASN 6 2HB ASN 6 -6.403 -25.681 15.124 36 2HB ASN 6 1HB ASN 6 -7.321 -24.257 15.609 37 1HD2 ASN 6 1HD2 ASN 6 -5.423 -25.681 12.994 38 2HD2 ASN 6 2HD2 ASN 6 -5.787 -24.488 11.842 39 H ASP 7 H ASP 7 -4.282 -22.951 17.982 40 HA ASP 7 HA ASP 7 -4.087 -23.466 20.216 41 1HB ASP 7 2HB ASP 7 -6.558 -23.124 20.003 42 2HB ASP 7 1HB ASP 7 -6.733 -24.863 19.770 43 H GLU 8 H GLU 8 -2.335 -24.841 20.246 44 HA GLU 8 HA GLU 8 -2.524 -27.617 19.545 45 1HB GLU 8 2HB GLU 8 -0.417 -26.230 19.439 46 2HB GLU 8 1HB GLU 8 -0.373 -26.287 21.202 47 1HG GLU 8 2HG GLU 8 -0.390 -28.777 21.087 48 2HG GLU 8 1HG GLU 8 -0.324 -28.670 19.329 49 H THR 9 H THR 9 -2.074 -25.923 22.657 50 HA THR 9 HA THR 9 -3.349 -28.234 24.024 51 HB THR 9 HB THR 9 -1.827 -27.850 25.918 52 HG1 THR 9 1HG THR 9 -0.906 -25.980 25.961 53 1HG2 THR 9 1HG2 THR 9 -0.270 -28.131 23.337 54 2HG2 THR 9 2HG2 THR 9 -1.237 -29.427 24.044 55 3HG2 THR 9 3HG2 THR 9 0.158 -28.789 24.916 56 H GLY 10 H GLY 10 -2.484 -24.788 24.298 57 1HA GLY 10 2HA GLY 10 -5.088 -23.933 24.947 58 2HA GLY 10 1HA GLY 10 -4.183 -24.152 26.442 59 H ASN 11 H ASN 11 -2.716 -23.183 23.405 60 HA ASN 11 HA ASN 11 -2.509 -20.381 24.298 61 1HB ASN 11 2HB ASN 11 -0.122 -22.069 23.508 62 2HB ASN 11 1HB ASN 11 -0.097 -20.356 23.922 63 1HD2 ASN 11 1HD2 ASN 11 -0.350 -23.612 25.253 64 2HD2 ASN 11 2HD2 ASN 11 -0.257 -23.145 26.883 65 H ASP 12 H ASP 12 -3.443 -19.361 22.646 66 HA ASP 12 HA ASP 12 -3.547 -20.299 19.982 67 1HB ASP 12 2HB ASP 12 -3.876 -17.472 21.012 68 2HB ASP 12 1HB ASP 12 -4.407 -18.070 19.440 69 H ASN 13 H ASN 13 -1.311 -18.176 21.676 70 HA ASN 13 HA ASN 13 0.660 -18.513 19.585 71 1HB ASN 13 2HB ASN 13 -0.434 -15.756 20.193 72 2HB ASN 13 1HB ASN 13 0.965 -16.101 19.179 73 1HD2 ASN 13 1HD2 ASN 13 0.582 -16.928 17.035 74 2HD2 ASN 13 2HD2 ASN 13 -0.976 -17.044 16.373 75 H GLY 14 H GLY 14 0.908 -19.466 22.049 76 1HA GLY 14 2HA GLY 14 2.614 -17.532 23.533 77 2HA GLY 14 1HA GLY 14 1.722 -18.852 24.283 78 H LYS 15 H LYS 15 2.522 -20.469 21.766 79 HA LYS 15 HA LYS 15 5.368 -20.932 22.305 80 1HB LYS 15 2HB LYS 15 4.233 -22.431 23.857 81 2HB LYS 15 1HB LYS 15 3.211 -23.043 22.555 82 1HG LYS 15 2HG LYS 15 5.073 -24.035 21.435 83 2HG LYS 15 1HG LYS 15 6.227 -23.200 22.472 84 1HD LYS 15 2HD LYS 15 5.913 -25.601 23.105 85 2HD LYS 15 1HD LYS 15 5.489 -24.487 24.405 86 1HE LYS 15 2HE LYS 15 3.175 -24.807 24.092 87 2HE LYS 15 1HE LYS 15 3.391 -25.467 22.470 88 1HZ LYS 15 1HZ LYS 15 3.083 -27.373 23.643 89 2HZ LYS 15 2HZ LYS 15 3.760 -26.754 25.073 90 3HZ LYS 15 3HZ LYS 15 4.767 -27.243 23.795 91 H GLY 16 H GLY 16 5.707 -20.140 20.186 92 1HA GLY 16 2HA GLY 16 6.170 -21.739 18.123 93 2HA GLY 16 1HA GLY 16 4.430 -21.532 17.945 94 H GLY 17 H GLY 17 7.530 -19.861 17.959 95 1HA GLY 17 2HA GLY 17 6.523 -17.283 17.281 96 2HA GLY 17 1HA GLY 17 8.187 -17.829 17.089 97 H GLU 18 H GLU 18 6.066 -19.964 15.608 98 HA GLU 18 HA GLU 18 7.017 -19.388 12.996 99 1HB GLU 18 2HB GLU 18 4.618 -21.044 13.820 100 2HB GLU 18 1HB GLU 18 5.439 -21.105 12.261 101 1HG GLU 18 2HG GLU 18 7.538 -21.772 13.433 102 2HG GLU 18 1HG GLU 18 6.644 -21.811 14.952 103 H LYS 19 H LYS 19 5.432 -19.074 11.132 104 HA LYS 19 HA LYS 19 3.075 -17.492 11.685 105 1HB LYS 19 2HB LYS 19 3.909 -15.494 10.435 106 2HB LYS 19 1HB LYS 19 4.741 -15.758 11.963 107 1HG LYS 19 2HG LYS 19 6.488 -17.072 10.572 108 2HG LYS 19 1HG LYS 19 5.749 -16.310 9.169 109 1HD LYS 19 2HD LYS 19 7.416 -14.759 9.662 110 2HD LYS 19 1HD LYS 19 6.068 -14.085 10.574 111 1HE LYS 19 2HE LYS 19 6.883 -15.146 12.625 112 2HE LYS 19 1HE LYS 19 8.175 -15.942 11.729 113 1HZ LYS 19 1HZ LYS 19 8.883 -13.895 12.881 114 2HZ LYS 19 2HZ LYS 19 7.824 -12.999 11.898 115 3HZ LYS 19 3HZ LYS 19 9.132 -13.834 11.203 116 H ALA 20 H ALA 20 3.860 -16.263 8.860 117 HA ALA 20 HA ALA 20 2.375 -18.232 7.365 118 1HB ALA 20 1HB ALA 20 2.520 -16.674 5.531 119 2HB ALA 20 2HB ALA 20 3.830 -15.793 6.318 120 3HB ALA 20 3HB ALA 20 2.202 -15.743 6.995 121 H ASP 21 H ASP 21 3.630 -18.161 4.866 122 HA ASP 21 HA ASP 21 6.388 -18.994 5.172 123 1HB ASP 21 2HB ASP 21 5.847 -21.297 4.180 124 2HB ASP 21 1HB ASP 21 5.503 -21.050 5.890 125 H ASN 22 H ASN 22 3.986 -20.155 2.835 126 HA ASN 22 HA ASN 22 5.559 -18.913 0.682 127 1HB ASN 22 2HB ASN 22 5.007 -21.372 0.690 128 2HB ASN 22 1HB ASN 22 3.331 -20.954 0.457 129 1HD2 ASN 22 1HD2 ASN 22 2.899 -21.361 -1.744 130 2HD2 ASN 22 2HD2 ASN 22 3.886 -20.841 -3.023 131 H ALA 23 H ALA 23 2.463 -19.739 -0.220 132 HA ALA 23 HA ALA 23 1.689 -17.314 -1.254 133 1HB ALA 23 1HB ALA 23 -0.679 -18.249 -1.003 134 2HB ALA 23 2HB ALA 23 0.074 -19.632 -0.205 135 3HB ALA 23 3HB ALA 23 0.478 -19.253 -1.878 136 H ALA 24 H ALA 24 0.855 -18.625 1.961 137 HA ALA 24 HA ALA 24 -0.819 -16.595 2.846 138 1HB ALA 24 1HB ALA 24 1.167 -18.240 4.425 139 2HB ALA 24 2HB ALA 24 -0.524 -18.638 4.117 140 3HB ALA 24 3HB ALA 24 -0.113 -17.259 5.139 141 H GLN 25 H GLN 25 2.719 -16.789 3.043 142 HA GLN 25 HA GLN 25 3.172 -14.455 4.515 143 1HB GLN 25 2HB GLN 25 4.843 -16.183 4.097 144 2HB GLN 25 1HB GLN 25 4.862 -15.758 2.384 145 1HG GLN 25 2HG GLN 25 5.927 -13.708 2.764 146 2HG GLN 25 1HG GLN 25 5.407 -13.633 4.446 147 1HE2 GLN 25 1HE2 GLN 25 6.840 -16.617 3.100 148 2HE2 GLN 25 2HE2 GLN 25 8.285 -16.498 3.979 149 H VAL 26 H VAL 26 3.026 -14.934 0.985 150 HA VAL 26 HA VAL 26 3.593 -12.235 0.344 151 HB VAL 26 HB VAL 26 2.989 -14.697 -1.070 152 1HG1 VAL 26 1HG1 VAL 26 0.829 -13.707 -1.654 153 2HG1 VAL 26 2HG1 VAL 26 1.881 -13.737 -3.067 154 3HG1 VAL 26 3HG1 VAL 26 1.629 -12.232 -2.188 155 1HG2 VAL 26 1HG2 VAL 26 5.073 -13.544 -1.404 156 2HG2 VAL 26 2HG2 VAL 26 4.245 -12.058 -1.874 157 3HG2 VAL 26 3HG2 VAL 26 4.193 -13.466 -2.930 158 H LYS 27 H LYS 27 0.479 -13.971 0.631 159 HA LYS 27 HA LYS 27 -1.261 -12.011 -0.170 160 1HB LYS 27 2HB LYS 27 -1.493 -14.006 2.077 161 2HB LYS 27 1HB LYS 27 -2.838 -13.001 1.534 162 1HG LYS 27 2HG LYS 27 -2.729 -13.928 -0.697 163 2HG LYS 27 1HG LYS 27 -1.228 -14.769 -0.327 164 1HD LYS 27 2HD LYS 27 -2.798 -16.491 -0.112 165 2HD LYS 27 1HD LYS 27 -2.650 -15.941 1.554 166 1HE LYS 27 2HE LYS 27 -4.987 -16.085 1.161 167 2HE LYS 27 1HE LYS 27 -4.608 -14.369 1.037 168 1HZ LYS 27 1HZ LYS 27 -6.026 -15.416 -0.789 169 2HZ LYS 27 2HZ LYS 27 -4.577 -16.108 -1.345 170 3HZ LYS 27 3HZ LYS 27 -4.738 -14.419 -1.263 171 H ASP 28 H ASP 28 -0.247 -12.492 3.234 172 HA ASP 28 HA ASP 28 -1.435 -10.166 4.238 173 1HB ASP 28 2HB ASP 28 0.189 -10.372 6.104 174 2HB ASP 28 1HB ASP 28 -0.600 -11.901 5.720 175 H ALA 29 H ALA 29 1.625 -10.684 2.626 176 HA ALA 29 HA ALA 29 2.647 -8.046 3.178 177 1HB ALA 29 1HB ALA 29 4.480 -8.661 1.743 178 2HB ALA 29 2HB ALA 29 3.561 -10.001 1.059 179 3HB ALA 29 3HB ALA 29 4.086 -10.060 2.742 180 H LEU 30 H LEU 30 0.361 -9.311 0.976 181 HA LEU 30 HA LEU 30 0.880 -7.514 -1.176 182 1HB LEU 30 2HB LEU 30 -0.637 -9.840 -0.783 183 2HB LEU 30 1HB LEU 30 -1.867 -8.602 -0.956 184 HG LEU 30 HG LEU 30 -0.157 -7.963 -3.037 185 1HD1 LEU 30 1HD1 LEU 30 1.204 -9.981 -2.618 186 2HD1 LEU 30 2HD1 LEU 30 0.403 -10.058 -4.185 187 3HD1 LEU 30 3HD1 LEU 30 -0.234 -10.979 -2.827 188 1HD2 LEU 30 1HD2 LEU 30 -2.402 -9.982 -3.260 189 2HD2 LEU 30 2HD2 LEU 30 -1.835 -8.875 -4.511 190 3HD2 LEU 30 3HD2 LEU 30 -2.666 -8.245 -3.092 191 H THR 31 H THR 31 -1.525 -7.738 1.402 192 HA THR 31 HA THR 31 -2.780 -5.271 0.741 193 HB THR 31 HB THR 31 -4.161 -5.641 2.582 194 HG1 THR 31 1HG THR 31 -1.851 -6.733 3.621 195 1HG2 THR 31 1HG2 THR 31 -3.151 -8.382 1.792 196 2HG2 THR 31 2HG2 THR 31 -4.236 -7.392 0.810 197 3HG2 THR 31 3HG2 THR 31 -4.765 -7.978 2.387 198 H LYS 32 H LYS 32 -0.088 -6.183 2.738 199 HA LYS 32 HA LYS 32 0.052 -4.033 4.499 200 1HB LYS 32 2HB LYS 32 1.645 -6.065 4.278 201 2HB LYS 32 1HB LYS 32 2.496 -5.096 3.078 202 1HG LYS 32 2HG LYS 32 2.482 -3.229 4.899 203 2HG LYS 32 1HG LYS 32 2.108 -4.538 6.016 204 1HD LYS 32 2HD LYS 32 4.438 -4.529 6.125 205 2HD LYS 32 1HD LYS 32 4.172 -5.730 4.865 206 1HE LYS 32 2HE LYS 32 4.578 -4.061 3.130 207 2HE LYS 32 1HE LYS 32 4.696 -2.784 4.340 208 1HZ LYS 32 1HZ LYS 32 6.663 -3.711 5.200 209 2HZ LYS 32 2HZ LYS 32 6.855 -3.719 3.512 210 3HZ LYS 32 3HZ LYS 32 6.470 -5.156 4.333 211 H MET 33 H MET 33 1.811 -4.291 1.414 212 HA MET 33 HA MET 33 2.516 -1.620 1.132 213 1HB MET 33 2HB MET 33 1.753 -3.590 -1.039 214 2HB MET 33 1HB MET 33 2.612 -2.072 -1.303 215 1HG MET 33 2HG MET 33 4.518 -2.812 -0.103 216 2HG MET 33 1HG MET 33 3.638 -4.154 0.630 217 1HE MET 33 1HE MET 33 4.508 -6.260 0.099 218 2HE MET 33 2HE MET 33 6.002 -5.372 -0.188 219 3HE MET 33 3HE MET 33 5.510 -6.639 -1.309 220 H ARG 34 H ARG 34 -0.288 -3.190 -0.479 221 HA ARG 34 HA ARG 34 -1.574 -0.983 -1.463 222 1HB ARG 34 2HB ARG 34 -2.351 -3.429 -1.557 223 2HB ARG 34 1HB ARG 34 -3.087 -3.137 0.006 224 1HG ARG 34 2HG ARG 34 -4.349 -1.231 -0.945 225 2HG ARG 34 1HG ARG 34 -3.668 -1.597 -2.535 226 1HD ARG 34 2HD ARG 34 -4.762 -3.728 -2.606 227 2HD ARG 34 1HD ARG 34 -5.178 -3.656 -0.891 228 HE ARG 34 HE ARG 34 -6.450 -1.482 -1.934 229 1HH1 ARG 34 1HH2 ARG 34 -6.290 -4.840 -2.764 230 2HH1 ARG 34 2HH2 ARG 34 -7.889 -4.892 -3.429 231 1HH2 ARG 34 1HH1 ARG 34 -8.547 -1.545 -2.805 232 2HH2 ARG 34 2HH1 ARG 34 -9.165 -3.028 -3.453 233 H ALA 35 H ALA 35 -2.684 -2.416 1.596 234 HA ALA 35 HA ALA 35 -4.156 -0.284 2.517 235 1HB ALA 35 1HB ALA 35 -2.510 -2.127 4.260 236 2HB ALA 35 2HB ALA 35 -4.063 -2.558 3.545 237 3HB ALA 35 3HB ALA 35 -3.967 -1.250 4.724 238 H ALA 36 H ALA 36 -0.682 -0.660 2.550 239 HA ALA 36 HA ALA 36 -0.228 1.485 4.427 240 1HB ALA 36 1HB ALA 36 2.149 1.220 3.796 241 2HB ALA 36 2HB ALA 36 1.677 0.066 2.552 242 3HB ALA 36 3HB ALA 36 1.411 -0.313 4.252 243 H ALA 37 H ALA 37 -0.426 1.108 0.957 244 HA ALA 37 HA ALA 37 0.672 3.667 0.307 245 1HB ALA 37 1HB ALA 37 -0.238 3.241 -1.932 246 2HB ALA 37 2HB ALA 37 -1.163 1.876 -1.307 247 3HB ALA 37 3HB ALA 37 0.600 1.812 -1.325 248 H LEU 38 H LEU 38 -2.602 2.341 0.664 249 HA LEU 38 HA LEU 38 -3.962 4.766 0.015 250 1HB LEU 38 2HB LEU 38 -4.722 2.206 1.383 251 2HB LEU 38 1HB LEU 38 -5.791 3.588 1.587 252 HG LEU 38 HG LEU 38 -5.944 3.832 -0.872 253 1HD1 LEU 38 1HD1 LEU 38 -4.264 1.305 -0.899 254 2HD1 LEU 38 2HD1 LEU 38 -3.763 2.892 -1.487 255 3HD1 LEU 38 3HD1 LEU 38 -5.054 2.014 -2.307 256 1HD2 LEU 38 1HD2 LEU 38 -7.288 1.801 -1.274 257 2HD2 LEU 38 2HD2 LEU 38 -7.585 2.437 0.344 258 3HD2 LEU 38 3HD2 LEU 38 -6.545 1.029 0.128 259 H ASP 39 H ASP 39 -2.984 3.353 3.128 260 HA ASP 39 HA ASP 39 -4.053 5.270 4.833 261 1HB ASP 39 2HB ASP 39 -2.798 3.049 5.369 262 2HB ASP 39 1HB ASP 39 -1.352 4.050 5.374 263 H ALA 40 H ALA 40 -0.701 5.138 3.645 264 HA ALA 40 HA ALA 40 0.251 7.520 4.611 265 1HB ALA 40 1HB ALA 40 1.778 6.069 3.540 266 2HB ALA 40 2HB ALA 40 1.721 7.502 2.515 267 3HB ALA 40 3HB ALA 40 0.836 6.050 2.049 268 H GLN 41 H GLN 41 -1.349 7.034 1.496 269 HA GLN 41 HA GLN 41 -1.211 9.490 0.379 270 1HB GLN 41 2HB GLN 41 -2.310 8.044 -1.031 271 2HB GLN 41 1HB GLN 41 -3.181 7.273 0.288 272 1HG GLN 41 2HG GLN 41 -4.092 10.065 -0.163 273 2HG GLN 41 1HG GLN 41 -4.265 9.073 -1.549 274 1HE2 GLN 41 1HE2 GLN 41 -4.620 8.025 1.852 275 2HE2 GLN 41 2HE2 GLN 41 -6.234 7.551 1.673 276 H LYS 42 H LYS 42 -3.880 8.547 2.595 277 HA LYS 42 HA LYS 42 -3.958 11.358 3.476 278 1HB LYS 42 2HB LYS 42 -5.629 10.568 1.476 279 2HB LYS 42 1HB LYS 42 -6.639 10.198 2.857 280 1HG LYS 42 2HG LYS 42 -7.208 12.428 2.480 281 2HG LYS 42 1HG LYS 42 -5.904 12.608 3.650 282 1HD LYS 42 2HD LYS 42 -5.218 14.123 2.008 283 2HD LYS 42 1HD LYS 42 -4.365 12.670 1.493 284 1HE LYS 42 2HE LYS 42 -5.517 13.794 -0.398 285 2HE LYS 42 1HE LYS 42 -6.136 12.166 -0.126 286 1HZ LYS 42 1HZ LYS 42 -7.452 14.331 1.312 287 2HZ LYS 42 2HZ LYS 42 -8.114 12.938 0.601 288 3HZ LYS 42 3HZ LYS 42 -7.706 14.276 -0.364 289 H ALA 43 H ALA 43 -3.007 9.463 5.095 290 HA ALA 43 HA ALA 43 -5.129 9.363 7.157 291 1HB ALA 43 1HB ALA 43 -4.855 7.099 7.671 292 2HB ALA 43 2HB ALA 43 -3.351 6.980 6.765 293 3HB ALA 43 3HB ALA 43 -4.885 7.127 5.910 294 H THR 44 H THR 44 -1.762 8.211 6.829 295 HA THR 44 HA THR 44 -1.130 9.670 9.324 296 HB THR 44 HB THR 44 -0.891 7.167 9.320 297 HG1 THR 44 1HG THR 44 0.694 7.423 10.693 298 1HG2 THR 44 1HG2 THR 44 1.742 7.388 7.965 299 2HG2 THR 44 2HG2 THR 44 0.342 7.412 6.900 300 3HG2 THR 44 3HG2 THR 44 0.600 6.048 7.980 301 HA PRO 45 HA PRO 45 0.690 12.422 6.008 302 1HB PRO 45 2HB PRO 45 1.303 13.590 8.714 303 2HB PRO 45 1HB PRO 45 0.977 14.434 7.184 304 1HG PRO 45 2HG PRO 45 -0.951 14.132 8.971 305 2HG PRO 45 1HG PRO 45 -1.288 13.942 7.240 306 1HD PRO 45 2HD PRO 45 -1.189 11.869 9.357 307 2HD PRO 45 1HD PRO 45 -2.012 11.818 7.784 308 HA PRO 46 HA PRO 46 4.622 10.298 7.101 309 1HB PRO 46 2HB PRO 46 5.304 9.418 4.665 310 2HB PRO 46 1HB PRO 46 3.976 8.665 5.562 311 1HG PRO 46 2HG PRO 46 3.851 10.651 3.334 312 2HG PRO 46 1HG PRO 46 2.867 9.216 3.607 313 1HD PRO 46 2HD PRO 46 2.092 11.799 4.292 314 2HD PRO 46 1HD PRO 46 1.408 10.325 5.016 315 H LYS 47 H LYS 47 5.657 11.008 3.927 316 HA LYS 47 HA LYS 47 7.525 12.987 4.917 317 1HB LYS 47 2HB LYS 47 7.960 12.997 2.220 318 2HB LYS 47 1HB LYS 47 8.687 11.828 3.316 319 1HG LYS 47 2HG LYS 47 5.956 11.237 2.194 320 2HG LYS 47 1HG LYS 47 7.362 11.019 1.158 321 1HD LYS 47 2HD LYS 47 7.435 9.858 3.936 322 2HD LYS 47 1HD LYS 47 6.508 9.021 2.691 323 1HE LYS 47 2HE LYS 47 8.417 8.636 1.363 324 2HE LYS 47 1HE LYS 47 9.352 9.890 2.179 325 1HZ LYS 47 1HZ LYS 47 8.792 7.151 3.003 326 2HZ LYS 47 2HZ LYS 47 8.820 8.325 4.232 327 3HZ LYS 47 3HZ LYS 47 10.182 8.094 3.242 328 H LEU 48 H LEU 48 4.371 13.060 3.628 329 HA LEU 48 HA LEU 48 4.626 15.623 2.311 330 1HB LEU 48 2HB LEU 48 2.003 14.502 3.268 331 2HB LEU 48 1HB LEU 48 2.335 15.496 1.845 332 HG LEU 48 HG LEU 48 3.246 12.622 2.235 333 1HD1 LEU 48 1HD1 LEU 48 1.591 12.119 0.474 334 2HD1 LEU 48 2HD1 LEU 48 1.092 13.811 0.463 335 3HD1 LEU 48 3HD1 LEU 48 0.813 12.818 1.893 336 1HD2 LEU 48 1HD2 LEU 48 3.731 12.876 -0.262 337 2HD2 LEU 48 2HD2 LEU 48 4.824 13.738 0.820 338 3HD2 LEU 48 3HD2 LEU 48 3.547 14.614 -0.025 339 H GLU 49 H GLU 49 5.686 15.685 4.934 340 HA GLU 49 HA GLU 49 3.934 16.747 6.866 341 1HB GLU 49 2HB GLU 49 6.889 17.168 6.381 342 2HB GLU 49 1HB GLU 49 6.037 17.847 7.769 343 1HG GLU 49 2HG GLU 49 5.297 15.559 8.401 344 2HG GLU 49 1HG GLU 49 6.233 14.907 7.057 345 H ASP 50 H ASP 50 5.423 18.095 4.041 346 HA ASP 50 HA ASP 50 3.772 20.463 4.200 347 1HB ASP 50 2HB ASP 50 5.717 21.122 5.578 348 2HB ASP 50 1HB ASP 50 6.788 20.737 4.232 349 H LYS 51 H LYS 51 3.436 18.639 2.358 350 HA LYS 51 HA LYS 51 4.673 19.773 -0.085 351 1HB LYS 51 2HB LYS 51 4.143 16.835 0.402 352 2HB LYS 51 1HB LYS 51 4.821 17.550 -1.053 353 1HG LYS 51 2HG LYS 51 6.722 18.433 0.349 354 2HG LYS 51 1HG LYS 51 6.065 17.529 1.710 355 1HD LYS 51 2HD LYS 51 7.547 15.935 0.923 356 2HD LYS 51 1HD LYS 51 6.151 15.505 -0.059 357 1HE LYS 51 2HE LYS 51 8.672 16.935 -0.857 358 2HE LYS 51 1HE LYS 51 7.803 15.648 -1.692 359 1HZ LYS 51 1HZ LYS 51 7.582 17.788 -2.810 360 2HZ LYS 51 2HZ LYS 51 6.860 18.451 -1.423 361 3HZ LYS 51 3HZ LYS 51 6.082 17.208 -2.279 362 H SER 52 H SER 52 2.058 20.078 1.364 363 HA SER 52 HA SER 52 -0.150 18.905 0.489 364 1HB SER 52 2HB SER 52 -0.798 20.802 1.578 365 2HB SER 52 1HB SER 52 0.568 21.721 0.973 366 HG SER 52 HG SER 52 -0.706 22.519 -0.474 367 HA PRO 53 HA PRO 53 -0.813 18.537 -3.881 368 1HB PRO 53 2HB PRO 53 -3.060 20.506 -3.554 369 2HB PRO 53 1HB PRO 53 -3.040 18.958 -4.425 370 1HG PRO 53 2HG PRO 53 -4.136 19.173 -2.004 371 2HG PRO 53 1HG PRO 53 -3.253 17.717 -2.497 372 1HD PRO 53 2HD PRO 53 -2.451 19.815 -0.550 373 2HD PRO 53 1HD PRO 53 -1.920 18.125 -0.678 374 H ASP 54 H ASP 54 1.098 20.548 -3.167 375 HA ASP 54 HA ASP 54 0.602 22.759 -5.075 376 1HB ASP 54 2HB ASP 54 1.247 23.355 -2.764 377 2HB ASP 54 1HB ASP 54 2.745 22.449 -2.963 378 H SER 55 H SER 55 3.420 20.901 -3.959 379 HA SER 55 HA SER 55 4.811 21.171 -6.460 380 1HB SER 55 2HB SER 55 5.717 19.078 -4.545 381 2HB SER 55 1HB SER 55 6.616 20.430 -5.245 382 HG SER 55 HG SER 55 5.497 20.233 -2.842 383 HA PRO 56 HA PRO 56 3.792 17.401 -8.565 384 1HB PRO 56 2HB PRO 56 6.307 15.967 -7.807 385 2HB PRO 56 1HB PRO 56 5.658 16.330 -9.420 386 1HG PRO 56 2HG PRO 56 7.741 17.669 -8.463 387 2HG PRO 56 1HG PRO 56 6.484 18.496 -9.405 388 1HD PRO 56 2HD PRO 56 6.901 18.476 -6.430 389 2HD PRO 56 1HD PRO 56 6.447 19.834 -7.489 390 H GLU 57 H GLU 57 3.498 17.574 -5.465 391 HA GLU 57 HA GLU 57 3.704 15.106 -4.249 392 1HB GLU 57 2HB GLU 57 3.013 16.966 -2.926 393 2HB GLU 57 1HB GLU 57 1.626 17.287 -3.962 394 1HG GLU 57 2HG GLU 57 0.474 15.346 -3.207 395 2HG GLU 57 1HG GLU 57 1.930 14.667 -2.481 396 H MET 58 H MET 58 0.695 16.374 -5.664 397 HA MET 58 HA MET 58 -0.809 14.076 -5.725 398 1HB MET 58 2HB MET 58 -0.728 16.087 -7.984 399 2HB MET 58 1HB MET 58 -2.085 15.070 -7.493 400 1HG MET 58 2HG MET 58 -2.176 16.235 -5.316 401 2HG MET 58 1HG MET 58 -0.826 17.265 -5.803 402 1HE MET 58 1HE MET 58 -5.182 17.361 -7.142 403 2HE MET 58 2HE MET 58 -4.534 16.894 -5.572 404 3HE MET 58 3HE MET 58 -4.233 15.877 -6.980 405 H LYS 59 H LYS 59 1.280 15.261 -8.357 406 HA LYS 59 HA LYS 59 1.082 13.172 -10.138 407 1HB LYS 59 2HB LYS 59 3.473 14.846 -9.360 408 2HB LYS 59 1HB LYS 59 3.533 13.679 -10.674 409 1HG LYS 59 2HG LYS 59 1.275 15.668 -10.650 410 2HG LYS 59 1HG LYS 59 2.875 16.236 -11.119 411 1HD LYS 59 2HD LYS 59 1.745 13.724 -12.353 412 2HD LYS 59 1HD LYS 59 1.263 15.303 -12.967 413 1HE LYS 59 2HE LYS 59 3.362 15.758 -13.833 414 2HE LYS 59 1HE LYS 59 4.199 14.828 -12.591 415 1HZ LYS 59 1HZ LYS 59 2.875 12.887 -13.794 416 2HZ LYS 59 2HZ LYS 59 4.423 13.387 -14.288 417 3HZ LYS 59 3HZ LYS 59 3.045 13.943 -15.111 418 H ASP 60 H ASP 60 2.960 13.345 -7.162 419 HA ASP 60 HA ASP 60 4.195 10.760 -7.550 420 1HB ASP 60 2HB ASP 60 5.273 12.650 -6.329 421 2HB ASP 60 1HB ASP 60 4.089 12.437 -5.040 422 H PHE 61 H PHE 61 1.554 12.068 -5.535 423 HA PHE 61 HA PHE 61 1.053 9.577 -4.225 424 1HB PHE 61 2HB PHE 61 0.036 11.247 -2.968 425 2HB PHE 61 1HB PHE 61 -0.355 12.220 -4.383 426 HD1 PHE 61 1HD PHE 61 -2.687 12.607 -4.186 427 HD2 PHE 61 2HD PHE 61 -1.176 8.625 -3.717 428 HE1 PHE 61 1HE PHE 61 -4.998 11.735 -4.242 429 HE2 PHE 61 2HE PHE 61 -3.490 7.742 -3.775 430 HZ PHE 61 HZ PHE 61 -5.403 9.302 -4.033 431 H ARG 62 H ARG 62 -0.970 11.343 -6.555 432 HA ARG 62 HA ARG 62 -2.720 9.439 -7.328 433 1HB ARG 62 2HB ARG 62 -1.279 11.128 -9.386 434 2HB ARG 62 1HB ARG 62 -2.921 10.502 -9.474 435 1HG ARG 62 2HG ARG 62 -2.133 12.378 -7.242 436 2HG ARG 62 1HG ARG 62 -2.573 13.004 -8.821 437 1HD ARG 62 2HD ARG 62 -4.322 11.098 -7.259 438 2HD ARG 62 1HD ARG 62 -4.452 12.848 -7.142 439 HE ARG 62 HE ARG 62 -4.587 12.335 -9.837 440 1HH1 ARG 62 1HH2 ARG 62 -6.256 11.272 -6.997 441 2HH1 ARG 62 2HH2 ARG 62 -7.759 10.998 -7.815 442 1HH2 ARG 62 1HH1 ARG 62 -6.555 11.977 -10.915 443 2HH2 ARG 62 2HH1 ARG 62 -7.928 11.397 -10.033 444 H HIS 63 H HIS 63 0.596 9.732 -8.611 445 HA HIS 63 HA HIS 63 0.282 7.275 -10.107 446 1HB HIS 63 2HB HIS 63 1.771 9.237 -10.757 447 2HB HIS 63 1HB HIS 63 2.882 8.692 -9.505 448 HD1 HIS 63 1HD HIS 63 4.739 7.613 -10.808 449 HD2 HIS 63 2HD HIS 63 0.989 6.378 -12.146 450 HE1 HIS 63 1HE HIS 63 5.152 5.787 -12.512 451 HE2 HIS 63 2HE HIS 63 2.875 5.023 -13.336 452 H GLY 64 H GLY 64 2.596 8.226 -7.564 453 1HA GLY 64 2HA GLY 64 3.726 5.898 -6.878 454 2HA GLY 64 1HA GLY 64 3.228 7.046 -5.652 455 H PHE 65 H PHE 65 0.347 6.733 -6.091 456 HA PHE 65 HA PHE 65 0.030 4.311 -4.529 457 1HB PHE 65 2HB PHE 65 -1.710 5.496 -3.686 458 2HB PHE 65 1HB PHE 65 -1.554 6.713 -4.936 459 HD1 PHE 65 1HD PHE 65 -2.600 6.100 -7.275 460 HD2 PHE 65 2HD PHE 65 -3.614 4.121 -3.614 461 HE1 PHE 65 1HE PHE 65 -4.675 5.316 -8.304 462 HE2 PHE 65 2HE PHE 65 -5.724 3.329 -4.651 463 HZ PHE 65 HZ PHE 65 -6.239 3.936 -7.001 464 H ASP 66 H ASP 66 -0.651 5.389 -7.806 465 HA ASP 66 HA ASP 66 -2.068 3.053 -8.639 466 1HB ASP 66 2HB ASP 66 -2.227 5.140 -9.898 467 2HB ASP 66 1HB ASP 66 -0.491 5.125 -10.213 468 H ILE 67 H ILE 67 1.299 4.047 -8.578 469 HA ILE 67 HA ILE 67 2.457 2.013 -10.113 470 HB ILE 67 HB ILE 67 3.536 3.543 -7.725 471 1HG1 ILE 67 2HG1 ILE 67 3.942 3.948 -10.704 472 2HG1 ILE 67 1HG1 ILE 67 2.797 4.858 -9.725 473 1HG2 ILE 67 1HG2 ILE 67 5.769 2.916 -8.747 474 2HG2 ILE 67 2HG2 ILE 67 4.904 1.776 -9.779 475 3HG2 ILE 67 3HG2 ILE 67 4.894 1.564 -8.029 476 1HD1 ILE 67 1HD1 ILE 67 5.379 4.930 -8.425 477 2HD1 ILE 67 2HD1 ILE 67 4.434 6.266 -9.078 478 3HD1 ILE 67 3HD1 ILE 67 5.563 5.401 -10.114 479 H LEU 68 H LEU 68 2.325 2.287 -6.579 480 HA LEU 68 HA LEU 68 3.138 -0.334 -6.014 481 1HB LEU 68 2HB LEU 68 1.719 1.833 -4.537 482 2HB LEU 68 1HB LEU 68 1.579 0.210 -3.866 483 HG LEU 68 HG LEU 68 4.169 0.092 -4.084 484 1HD1 LEU 68 1HD1 LEU 68 5.272 2.317 -4.009 485 2HD1 LEU 68 2HD1 LEU 68 3.724 3.076 -4.341 486 3HD1 LEU 68 3HD1 LEU 68 4.466 2.026 -5.546 487 1HD2 LEU 68 1HD2 LEU 68 2.793 1.958 -2.135 488 2HD2 LEU 68 2HD2 LEU 68 4.477 1.465 -1.986 489 3HD2 LEU 68 3HD2 LEU 68 3.200 0.256 -1.902 490 H VAL 69 H VAL 69 -0.181 0.975 -5.962 491 HA VAL 69 HA VAL 69 -1.570 -1.382 -5.624 492 HB VAL 69 HB VAL 69 -2.290 1.121 -7.155 493 1HG1 VAL 69 1HG1 VAL 69 -3.792 -0.574 -7.857 494 2HG1 VAL 69 2HG1 VAL 69 -4.630 0.381 -6.639 495 3HG1 VAL 69 3HG1 VAL 69 -3.960 -1.196 -6.213 496 1HG2 VAL 69 1HG2 VAL 69 -3.180 0.304 -4.383 497 2HG2 VAL 69 2HG2 VAL 69 -3.195 1.909 -5.111 498 3HG2 VAL 69 3HG2 VAL 69 -1.667 1.175 -4.629 499 H GLY 70 H GLY 70 0.077 -0.199 -8.442 500 1HA GLY 70 2HA GLY 70 -1.326 -1.946 -10.294 501 2HA GLY 70 1HA GLY 70 0.052 -0.914 -10.666 502 H GLN 71 H GLN 71 1.778 -1.847 -8.605 503 HA GLN 71 HA GLN 71 2.753 -4.259 -9.872 504 1HB GLN 71 2HB GLN 71 3.795 -2.722 -7.478 505 2HB GLN 71 1HB GLN 71 4.640 -4.020 -8.321 506 1HG GLN 71 2HG GLN 71 4.832 -2.743 -10.314 507 2HG GLN 71 1HG GLN 71 3.667 -1.554 -9.747 508 1HE2 GLN 71 1HE2 GLN 71 4.769 -1.261 -7.057 509 2HE2 GLN 71 2HE2 GLN 71 6.271 -0.496 -7.221 510 H ILE 72 H ILE 72 1.388 -3.290 -6.779 511 HA ILE 72 HA ILE 72 1.632 -5.544 -5.227 512 HB ILE 72 HB ILE 72 -0.445 -3.425 -5.562 513 1HG1 ILE 72 2HG1 ILE 72 0.671 -4.404 -2.941 514 2HG1 ILE 72 1HG1 ILE 72 1.718 -3.506 -4.034 515 1HG2 ILE 72 1HG2 ILE 72 -1.825 -4.470 -3.705 516 2HG2 ILE 72 2HG2 ILE 72 -0.958 -5.978 -4.013 517 3HG2 ILE 72 3HG2 ILE 72 -1.963 -5.264 -5.275 518 1HD1 ILE 72 1HD1 ILE 72 -0.986 -2.527 -3.109 519 2HD1 ILE 72 2HD1 ILE 72 0.180 -1.633 -4.056 520 3HD1 ILE 72 3HD1 ILE 72 0.543 -2.041 -2.390 521 H ASP 73 H ASP 73 -1.033 -4.933 -7.528 522 HA ASP 73 HA ASP 73 -2.156 -7.510 -7.427 523 1HB ASP 73 2HB ASP 73 -3.269 -5.571 -8.495 524 2HB ASP 73 1HB ASP 73 -2.061 -5.596 -9.778 525 H ASP 74 H ASP 74 0.106 -6.115 -9.809 526 HA ASP 74 HA ASP 74 0.666 -8.233 -11.406 527 1HB ASP 74 2HB ASP 74 1.708 -5.877 -11.395 528 2HB ASP 74 1HB ASP 74 2.901 -6.554 -10.286 529 H ALA 75 H ALA 75 1.585 -7.810 -8.061 530 HA ALA 75 HA ALA 75 3.584 -9.828 -7.981 531 1HB ALA 75 1HB ALA 75 3.609 -9.514 -5.656 532 2HB ALA 75 2HB ALA 75 1.912 -9.050 -5.605 533 3HB ALA 75 3HB ALA 75 3.106 -7.941 -6.271 534 H LEU 76 H LEU 76 0.331 -9.923 -6.450 535 HA LEU 76 HA LEU 76 0.248 -12.702 -6.100 536 1HB LEU 76 2HB LEU 76 -1.438 -11.058 -5.185 537 2HB LEU 76 1HB LEU 76 -2.123 -10.963 -6.804 538 HG LEU 76 HG LEU 76 -2.242 -13.610 -6.611 539 1HD1 LEU 76 1HD1 LEU 76 -2.700 -14.297 -4.248 540 2HD1 LEU 76 2HD1 LEU 76 -2.132 -12.718 -3.708 541 3HD1 LEU 76 3HD1 LEU 76 -1.021 -13.828 -4.510 542 1HD2 LEU 76 1HD2 LEU 76 -4.493 -13.398 -5.588 543 2HD2 LEU 76 2HD2 LEU 76 -4.204 -12.132 -6.781 544 3HD2 LEU 76 3HD2 LEU 76 -4.094 -11.762 -5.061 545 H LYS 77 H LYS 77 -0.738 -10.676 -8.795 546 HA LYS 77 HA LYS 77 -1.940 -12.360 -10.559 547 1HB LYS 77 2HB LYS 77 -1.259 -9.903 -10.804 548 2HB LYS 77 1HB LYS 77 0.307 -10.491 -11.335 549 1HG LYS 77 2HG LYS 77 -2.250 -11.429 -12.645 550 2HG LYS 77 1HG LYS 77 -1.487 -9.922 -13.126 551 1HD LYS 77 2HD LYS 77 -0.040 -11.064 -14.455 552 2HD LYS 77 1HD LYS 77 0.601 -11.902 -13.045 553 1HE LYS 77 2HE LYS 77 -0.173 -13.607 -14.528 554 2HE LYS 77 1HE LYS 77 -1.405 -13.493 -13.273 555 1HZ LYS 77 1HZ LYS 77 -1.576 -12.885 -16.078 556 2HZ LYS 77 2HZ LYS 77 -2.210 -11.660 -15.085 557 3HZ LYS 77 3HZ LYS 77 -2.809 -13.247 -14.970 558 H LEU 78 H LEU 78 1.563 -11.969 -10.145 559 HA LEU 78 HA LEU 78 2.339 -14.009 -11.932 560 1HB LEU 78 2HB LEU 78 3.735 -12.140 -10.649 561 2HB LEU 78 1HB LEU 78 3.999 -13.442 -9.492 562 HG LEU 78 HG LEU 78 4.598 -13.563 -12.467 563 1HD1 LEU 78 1HD1 LEU 78 6.110 -12.168 -10.899 564 2HD1 LEU 78 2HD1 LEU 78 6.888 -13.394 -11.899 565 3HD1 LEU 78 3HD1 LEU 78 6.580 -13.714 -10.194 566 1HD2 LEU 78 1HD2 LEU 78 4.013 -15.764 -11.793 567 2HD2 LEU 78 2HD2 LEU 78 4.800 -15.583 -10.226 568 3HD2 LEU 78 3HD2 LEU 78 5.773 -15.727 -11.690 569 H ALA 79 H ALA 79 2.192 -14.130 -8.344 570 HA ALA 79 HA ALA 79 2.636 -16.898 -8.055 571 1HB ALA 79 1HB ALA 79 0.827 -15.195 -6.316 572 2HB ALA 79 2HB ALA 79 2.583 -15.193 -6.192 573 3HB ALA 79 3HB ALA 79 1.679 -16.666 -5.856 574 H ASN 80 H ASN 80 -0.093 -15.159 -9.245 575 HA ASN 80 HA ASN 80 -2.052 -17.176 -8.676 576 1HB ASN 80 2HB ASN 80 -2.416 -14.638 -9.200 577 2HB ASN 80 1HB ASN 80 -2.348 -15.147 -10.884 578 1HD2 ASN 80 1HD2 ASN 80 -4.733 -14.121 -9.434 579 2HD2 ASN 80 2HD2 ASN 80 -5.891 -15.360 -9.508 580 H GLU 81 H GLU 81 0.295 -16.534 -11.141 581 HA GLU 81 HA GLU 81 -0.829 -18.217 -13.164 582 1HB GLU 81 2HB GLU 81 1.991 -17.192 -12.793 583 2HB GLU 81 1HB GLU 81 1.419 -18.061 -14.214 584 1HG GLU 81 2HG GLU 81 -0.241 -16.328 -14.650 585 2HG GLU 81 1HG GLU 81 0.239 -15.478 -13.182 586 H GLY 82 H GLY 82 1.958 -18.605 -10.931 587 1HA GLY 82 2HA GLY 82 1.405 -21.480 -10.850 588 2HA GLY 82 1HA GLY 82 2.966 -20.979 -11.477 589 H LYS 83 H LYS 83 4.468 -19.936 -10.042 590 HA LYS 83 HA LYS 83 4.046 -20.784 -7.255 591 1HB LYS 83 2HB LYS 83 5.852 -21.858 -8.510 592 2HB LYS 83 1HB LYS 83 6.586 -20.293 -8.792 593 1HG LYS 83 2HG LYS 83 7.727 -21.418 -6.946 594 2HG LYS 83 1HG LYS 83 6.906 -19.988 -6.363 595 1HD LYS 83 2HD LYS 83 6.681 -22.030 -4.889 596 2HD LYS 83 1HD LYS 83 5.153 -21.305 -5.351 597 1HE LYS 83 2HE LYS 83 4.665 -23.037 -6.881 598 2HE LYS 83 1HE LYS 83 6.353 -23.539 -6.985 599 1HZ LYS 83 1HZ LYS 83 6.057 -24.012 -4.481 600 2HZ LYS 83 2HZ LYS 83 5.454 -25.126 -5.615 601 3HZ LYS 83 3HZ LYS 83 4.400 -24.038 -4.844 602 H VAL 84 H VAL 84 4.401 -19.622 -5.523 603 HA VAL 84 HA VAL 84 4.203 -16.783 -5.611 604 HB VAL 84 HB VAL 84 4.789 -18.730 -3.377 605 1HG1 VAL 84 1HG1 VAL 84 4.426 -15.737 -3.369 606 2HG1 VAL 84 2HG1 VAL 84 5.688 -16.692 -2.592 607 3HG1 VAL 84 3HG1 VAL 84 4.048 -16.707 -1.946 608 1HG2 VAL 84 1HG2 VAL 84 2.505 -18.720 -2.929 609 2HG2 VAL 84 2HG2 VAL 84 2.471 -18.549 -4.681 610 3HG2 VAL 84 3HG2 VAL 84 2.256 -17.132 -3.651 611 H LYS 85 H LYS 85 6.819 -19.053 -4.814 612 HA LYS 85 HA LYS 85 8.798 -17.376 -3.931 613 1HB LYS 85 2HB LYS 85 9.167 -19.676 -5.867 614 2HB LYS 85 1HB LYS 85 10.417 -18.974 -4.843 615 1HG LYS 85 2HG LYS 85 7.878 -19.984 -3.572 616 2HG LYS 85 1HG LYS 85 9.110 -21.144 -4.054 617 1HD LYS 85 2HD LYS 85 10.014 -18.750 -2.478 618 2HD LYS 85 1HD LYS 85 9.124 -20.002 -1.618 619 1HE LYS 85 2HE LYS 85 11.679 -20.248 -1.678 620 2HE LYS 85 1HE LYS 85 10.738 -21.666 -2.138 621 1HZ LYS 85 1HZ LYS 85 11.004 -20.991 -4.471 622 2HZ LYS 85 2HZ LYS 85 12.491 -21.320 -3.717 623 3HZ LYS 85 3HZ LYS 85 12.005 -19.714 -3.980 624 H GLU 86 H GLU 86 7.669 -17.834 -7.224 625 HA GLU 86 HA GLU 86 9.758 -16.249 -8.430 626 1HB GLU 86 2HB GLU 86 7.043 -17.069 -9.510 627 2HB GLU 86 1HB GLU 86 8.351 -16.356 -10.456 628 1HG GLU 86 2HG GLU 86 9.802 -18.263 -9.905 629 2HG GLU 86 1HG GLU 86 8.509 -18.969 -8.940 630 H ALA 87 H ALA 87 6.635 -15.791 -7.057 631 HA ALA 87 HA ALA 87 6.324 -13.055 -7.967 632 1HB ALA 87 1HB ALA 87 4.760 -14.439 -5.794 633 2HB ALA 87 2HB ALA 87 4.412 -14.657 -7.511 634 3HB ALA 87 3HB ALA 87 4.265 -13.060 -6.776 635 H GLN 88 H GLN 88 6.902 -14.688 -4.840 636 HA GLN 88 HA GLN 88 7.170 -12.463 -3.214 637 1HB GLN 88 2HB GLN 88 7.965 -13.931 -1.633 638 2HB GLN 88 1HB GLN 88 7.416 -15.121 -2.804 639 1HG GLN 88 2HG GLN 88 9.582 -15.866 -2.331 640 2HG GLN 88 1HG GLN 88 9.842 -14.908 -3.778 641 1HE2 GLN 88 1HE2 GLN 88 9.285 -12.445 -2.029 642 2HE2 GLN 88 2HE2 GLN 88 10.751 -12.168 -1.232 643 H ALA 89 H ALA 89 9.380 -13.812 -5.559 644 HA ALA 89 HA ALA 89 11.556 -12.036 -4.899 645 1HB ALA 89 1HB ALA 89 12.551 -12.865 -7.000 646 2HB ALA 89 2HB ALA 89 11.036 -13.676 -7.399 647 3HB ALA 89 3HB ALA 89 11.979 -14.207 -6.006 648 H ALA 90 H ALA 90 8.939 -12.252 -7.278 649 HA ALA 90 HA ALA 90 9.591 -9.935 -8.763 650 1HB ALA 90 1HB ALA 90 7.420 -10.072 -9.665 651 2HB ALA 90 2HB ALA 90 6.750 -10.770 -8.191 652 3HB ALA 90 3HB ALA 90 7.787 -11.742 -9.236 653 H ALA 91 H ALA 91 8.476 -10.386 -5.573 654 HA ALA 91 HA ALA 91 7.233 -7.798 -5.269 655 1HB ALA 91 1HB ALA 91 6.763 -8.444 -3.067 656 2HB ALA 91 2HB ALA 91 8.134 -9.551 -2.998 657 3HB ALA 91 3HB ALA 91 6.714 -9.965 -3.957 658 H GLU 92 H GLU 92 10.331 -9.299 -4.453 659 HA GLU 92 HA GLU 92 11.395 -7.262 -2.881 660 1HB GLU 92 2HB GLU 92 13.362 -8.441 -2.967 661 2HB GLU 92 1HB GLU 92 12.302 -9.678 -3.631 662 1HG GLU 92 2HG GLU 92 12.888 -8.773 -5.940 663 2HG GLU 92 1HG GLU 92 14.121 -7.795 -5.153 664 H GLN 93 H GLN 93 11.318 -7.600 -6.404 665 HA GLN 93 HA GLN 93 12.979 -5.358 -6.935 666 1HB GLN 93 2HB GLN 93 11.932 -5.477 -9.234 667 2HB GLN 93 1HB GLN 93 12.715 -6.955 -8.675 668 1HG GLN 93 2HG GLN 93 10.580 -7.906 -8.032 669 2HG GLN 93 1HG GLN 93 9.754 -6.397 -8.418 670 1HE2 GLN 93 1HE2 GLN 93 8.466 -7.149 -10.180 671 2HE2 GLN 93 2HE2 GLN 93 9.135 -7.752 -11.619 672 H LEU 94 H LEU 94 9.803 -5.481 -5.713 673 HA LEU 94 HA LEU 94 8.965 -2.960 -6.939 674 1HB LEU 94 2HB LEU 94 7.661 -4.455 -4.651 675 2HB LEU 94 1HB LEU 94 6.944 -3.193 -5.651 676 HG LEU 94 HG LEU 94 7.780 -5.962 -6.550 677 1HD1 LEU 94 1HD1 LEU 94 5.680 -6.102 -5.449 678 2HD1 LEU 94 2HD1 LEU 94 5.280 -6.003 -7.161 679 3HD1 LEU 94 3HD1 LEU 94 5.126 -4.579 -6.134 680 1HD2 LEU 94 1HD2 LEU 94 6.910 -3.519 -8.092 681 2HD2 LEU 94 2HD2 LEU 94 6.625 -5.141 -8.726 682 3HD2 LEU 94 3HD2 LEU 94 8.268 -4.595 -8.413 683 H LYS 95 H LYS 95 9.760 -4.188 -3.713 684 HA LYS 95 HA LYS 95 9.603 -1.845 -2.258 685 1HB LYS 95 2HB LYS 95 11.911 -3.736 -1.861 686 2HB LYS 95 1HB LYS 95 10.978 -2.857 -0.650 687 1HG LYS 95 2HG LYS 95 8.980 -4.357 -1.780 688 2HG LYS 95 1HG LYS 95 10.348 -5.430 -2.027 689 1HD LYS 95 2HD LYS 95 9.624 -4.218 0.646 690 2HD LYS 95 1HD LYS 95 9.124 -5.813 0.099 691 1HE LYS 95 2HE LYS 95 12.047 -5.173 -0.043 692 2HE LYS 95 1HE LYS 95 11.351 -5.489 1.541 693 1HZ LYS 95 1HZ LYS 95 10.278 -7.476 0.178 694 2HZ LYS 95 2HZ LYS 95 11.789 -7.602 0.945 695 3HZ LYS 95 3HZ LYS 95 11.702 -7.284 -0.722 696 H THR 96 H THR 96 12.109 -2.941 -4.464 697 HA THR 96 HA THR 96 13.926 -0.790 -3.899 698 HB THR 96 HB THR 96 13.777 -2.319 -6.483 699 HG1 THR 96 1HG THR 96 15.123 -3.150 -4.141 700 1HG2 THR 96 1HG2 THR 96 16.203 -1.991 -6.458 701 2HG2 THR 96 2HG2 THR 96 16.097 -1.220 -4.875 702 3HG2 THR 96 3HG2 THR 96 15.383 -0.439 -6.286 703 H THR 97 H THR 97 11.304 -1.370 -6.176 704 HA THR 97 HA THR 97 11.731 0.870 -7.850 705 HB THR 97 HB THR 97 9.087 -0.457 -7.212 706 HG1 THR 97 1HG THR 97 9.788 -1.562 -9.276 707 1HG2 THR 97 1HG2 THR 97 8.570 0.263 -9.545 708 2HG2 THR 97 2HG2 THR 97 10.117 1.106 -9.596 709 3HG2 THR 97 3HG2 THR 97 8.868 1.623 -8.462 710 H ILE 98 H ILE 98 9.442 0.418 -5.125 711 HA ILE 98 HA ILE 98 8.519 3.076 -5.155 712 HB ILE 98 HB ILE 98 7.417 2.618 -3.152 713 1HG1 ILE 98 2HG1 ILE 98 9.660 0.694 -2.470 714 2HG1 ILE 98 1HG1 ILE 98 9.359 2.253 -1.699 715 1HG2 ILE 98 1HG2 ILE 98 7.018 0.888 -5.007 716 2HG2 ILE 98 2HG2 ILE 98 6.502 0.439 -3.381 717 3HG2 ILE 98 3HG2 ILE 98 8.002 -0.207 -4.037 718 1HD1 ILE 98 1HD1 ILE 98 7.046 1.330 -1.097 719 2HD1 ILE 98 2HD1 ILE 98 8.414 0.624 -0.237 720 3HD1 ILE 98 3HD1 ILE 98 7.666 -0.253 -1.571 721 H ARG 99 H ARG 99 11.462 1.627 -3.976 722 HA ARG 99 HA ARG 99 12.101 3.705 -2.171 723 1HB ARG 99 2HB ARG 99 13.216 1.459 -2.171 724 2HB ARG 99 1HB ARG 99 14.056 1.933 -3.646 725 1HG ARG 99 2HG ARG 99 15.471 2.313 -1.660 726 2HG ARG 99 1HG ARG 99 15.094 3.829 -2.472 727 1HD ARG 99 2HD ARG 99 13.924 4.623 -0.671 728 2HD ARG 99 1HD ARG 99 13.144 3.084 -0.362 729 HE ARG 99 HE ARG 99 14.778 2.644 1.205 730 1HH1 ARG 99 1HH2 ARG 99 15.861 5.060 -1.019 731 2HH1 ARG 99 2HH2 ARG 99 17.332 5.384 -0.166 732 1HH2 ARG 99 1HH1 ARG 99 16.709 3.057 2.325 733 2HH2 ARG 99 2HH1 ARG 99 17.814 4.249 1.725 734 H ALA 100 H ALA 100 12.299 3.396 -5.598 735 HA ALA 100 HA ALA 100 14.120 5.572 -6.001 736 1HB ALA 100 1HB ALA 100 13.584 3.895 -7.780 737 2HB ALA 100 2HB ALA 100 13.306 5.554 -8.309 738 3HB ALA 100 3HB ALA 100 11.943 4.535 -7.848 739 H TYR 101 H TYR 101 10.636 5.160 -5.677 740 HA TYR 101 HA TYR 101 10.051 7.959 -6.089 741 1HB TYR 101 2HB TYR 101 8.065 6.928 -6.541 742 2HB TYR 101 1HB TYR 101 8.559 5.464 -5.700 743 HD1 TYR 101 1HD TYR 101 7.561 8.998 -4.920 744 HD2 TYR 101 2HD TYR 101 7.347 4.862 -3.788 745 HE1 TYR 101 1HE TYR 101 6.071 9.590 -3.023 746 HE2 TYR 101 2HE TYR 101 5.850 5.452 -1.902 747 HH TYR 101 HH TYR 101 4.169 8.112 -1.652 748 H ASN 102 H ASN 102 10.023 5.785 -3.266 749 HA ASN 102 HA ASN 102 9.460 7.698 -1.315 750 1HB ASN 102 2HB ASN 102 9.576 5.131 -1.083 751 2HB ASN 102 1HB ASN 102 11.305 5.362 -0.827 752 1HD2 ASN 102 1HD2 ASN 102 11.181 7.826 0.613 753 2HD2 ASN 102 2HD2 ASN 102 10.464 7.512 2.116 754 H GLN 103 H GLN 103 12.561 6.686 -2.695 755 HA GLN 103 HA GLN 103 14.091 8.409 -0.953 756 1HB GLN 103 2HB GLN 103 14.961 6.268 -1.978 757 2HB GLN 103 1HB GLN 103 14.986 7.122 -3.522 758 1HG GLN 103 2HG GLN 103 16.618 8.671 -2.767 759 2HG GLN 103 1HG GLN 103 16.389 8.214 -1.080 760 1HE2 GLN 103 1HE2 GLN 103 17.065 6.354 -4.109 761 2HE2 GLN 103 2HE2 GLN 103 18.361 5.482 -3.444 762 H LYS 104 H LYS 104 12.844 8.502 -4.254 763 HA LYS 104 HA LYS 104 14.225 10.588 -5.379 764 1HB LYS 104 2HB LYS 104 12.548 9.738 -6.774 765 2HB LYS 104 1HB LYS 104 11.308 9.863 -5.534 766 1HG LYS 104 2HG LYS 104 10.978 12.159 -5.890 767 2HG LYS 104 1HG LYS 104 12.600 12.390 -6.543 768 1HD LYS 104 2HD LYS 104 11.053 12.578 -8.377 769 2HD LYS 104 1HD LYS 104 11.877 11.032 -8.561 770 1HE LYS 104 2HE LYS 104 9.462 10.753 -8.911 771 2HE LYS 104 1HE LYS 104 9.964 9.905 -7.449 772 1HZ LYS 104 1HZ LYS 104 8.679 11.198 -6.207 773 2HZ LYS 104 2HZ LYS 104 7.987 11.788 -7.643 774 3HZ LYS 104 3HZ LYS 104 9.279 12.618 -6.915 775 H TYR 105 H TYR 105 11.462 10.851 -3.187 776 HA TYR 105 HA TYR 105 12.106 13.709 -2.751 777 1HB TYR 105 2HB TYR 105 9.629 12.147 -2.833 778 2HB TYR 105 1HB TYR 105 9.721 13.130 -1.374 779 HD1 TYR 105 1HD TYR 105 8.694 13.169 -4.728 780 HD2 TYR 105 2HD TYR 105 10.725 15.601 -1.832 781 HE1 TYR 105 1HE TYR 105 8.193 15.174 -6.072 782 HE2 TYR 105 2HE TYR 105 10.204 17.622 -3.172 783 HH TYR 105 HH TYR 105 8.930 18.416 -4.880 784 H GLY 106 H GLY 106 12.110 10.594 -1.224 785 1HA GLY 106 2HA GLY 106 11.919 11.067 1.452 786 2HA GLY 106 1HA GLY 106 13.090 9.951 0.769 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 -18.400 -39.095 9.737 2 2H ALA 1 2HT ALA 1 -16.790 -38.812 9.277 3 3H ALA 1 3HT ALA 1 -18.030 -38.758 8.117 4 HA ALA 1 HA ALA 1 -18.894 -36.765 8.932 5 1HB ALA 1 1HB ALA 1 -18.117 -35.794 11.069 6 2HB ALA 1 2HB ALA 1 -17.065 -37.187 11.314 7 3HB ALA 1 3HB ALA 1 -18.817 -37.395 11.313 8 H ASP 2 H ASP 2 -15.964 -38.023 8.109 9 HA ASP 2 HA ASP 2 -14.372 -35.613 8.114 10 1HB ASP 2 2HB ASP 2 -13.919 -38.203 6.613 11 2HB ASP 2 1HB ASP 2 -12.726 -36.943 6.919 12 H LEU 3 H LEU 3 -13.622 -34.524 6.207 13 HA LEU 3 HA LEU 3 -14.759 -35.011 3.636 14 1HB LEU 3 2HB LEU 3 -16.195 -33.040 3.471 15 2HB LEU 3 1HB LEU 3 -16.764 -34.121 4.739 16 HG LEU 3 HG LEU 3 -15.056 -32.492 6.180 17 1HD1 LEU 3 1HD1 LEU 3 -16.421 -30.727 4.120 18 2HD1 LEU 3 2HD1 LEU 3 -14.686 -31.019 4.213 19 3HD1 LEU 3 3HD1 LEU 3 -15.506 -30.169 5.520 20 1HD2 LEU 3 1HD2 LEU 3 -17.330 -33.062 6.865 21 2HD2 LEU 3 2HD2 LEU 3 -18.001 -32.043 5.591 22 3HD2 LEU 3 3HD2 LEU 3 -17.124 -31.312 6.935 23 H GLU 4 H GLU 4 -12.743 -33.391 5.812 24 HA GLU 4 HA GLU 4 -11.819 -31.327 4.015 25 1HB GLU 4 2HB GLU 4 -10.694 -32.384 6.619 26 2HB GLU 4 1HB GLU 4 -10.069 -30.982 5.750 27 1HG GLU 4 2HG GLU 4 -12.261 -29.875 5.936 28 2HG GLU 4 1HG GLU 4 -12.903 -31.279 6.784 29 H ASP 5 H ASP 5 -11.750 -34.049 2.986 30 HA ASP 5 HA ASP 5 -8.993 -34.911 2.984 31 1HB ASP 5 2HB ASP 5 -10.888 -36.502 2.740 32 2HB ASP 5 1HB ASP 5 -11.277 -35.763 1.188 33 H ASN 6 H ASN 6 -7.425 -34.203 1.687 34 HA ASN 6 HA ASN 6 -8.008 -33.225 -0.994 35 1HB ASN 6 2HB ASN 6 -6.698 -31.431 1.065 36 2HB ASN 6 1HB ASN 6 -6.912 -31.062 -0.646 37 1HD2 ASN 6 1HD2 ASN 6 -8.474 -31.028 2.461 38 2HD2 ASN 6 2HD2 ASN 6 -9.991 -30.494 1.918 39 H ASP 7 H ASP 7 -6.555 -35.448 0.200 40 HA ASP 7 HA ASP 7 -4.555 -36.556 -0.007 41 1HB ASP 7 2HB ASP 7 -5.016 -35.941 -2.404 42 2HB ASP 7 1HB ASP 7 -3.985 -34.529 -2.178 43 H GLU 8 H GLU 8 -4.582 -34.712 2.040 44 HA GLU 8 HA GLU 8 -2.648 -32.746 2.127 45 1HB GLU 8 2HB GLU 8 -2.455 -33.287 4.565 46 2HB GLU 8 1HB GLU 8 -4.119 -33.110 4.008 47 1HG GLU 8 2HG GLU 8 -4.268 -35.582 3.758 48 2HG GLU 8 1HG GLU 8 -2.636 -35.723 4.411 49 H THR 9 H THR 9 -0.506 -32.855 3.274 50 HA THR 9 HA THR 9 0.959 -35.375 2.918 51 HB THR 9 HB THR 9 2.734 -34.262 1.624 52 HG1 THR 9 1HG THR 9 1.001 -32.094 1.996 53 1HG2 THR 9 1HG2 THR 9 1.570 -34.173 -0.493 54 2HG2 THR 9 2HG2 THR 9 0.034 -33.860 0.313 55 3HG2 THR 9 3HG2 THR 9 0.817 -35.430 0.488 56 H GLY 10 H GLY 10 0.968 -31.990 3.941 57 1HA GLY 10 2HA GLY 10 2.007 -32.520 6.502 58 2HA GLY 10 1HA GLY 10 3.333 -32.015 5.458 59 H ASN 11 H ASN 11 -0.050 -30.950 5.418 60 HA ASN 11 HA ASN 11 0.716 -28.301 6.439 61 1HB ASN 11 2HB ASN 11 -0.422 -27.184 4.548 62 2HB ASN 11 1HB ASN 11 0.989 -28.099 4.021 63 1HD2 ASN 11 1HD2 ASN 11 0.634 -30.014 2.720 64 2HD2 ASN 11 2HD2 ASN 11 -0.892 -30.389 2.077 65 H ASP 12 H ASP 12 -1.331 -26.893 6.579 66 HA ASP 12 HA ASP 12 -3.864 -28.214 6.799 67 1HB ASP 12 2HB ASP 12 -2.608 -29.052 8.832 68 2HB ASP 12 1HB ASP 12 -2.579 -27.385 9.406 69 H ASN 13 H ASN 13 -5.332 -26.666 8.296 70 HA ASN 13 HA ASN 13 -4.609 -23.848 7.966 71 1HB ASN 13 2HB ASN 13 -5.672 -24.491 5.816 72 2HB ASN 13 1HB ASN 13 -7.106 -25.006 6.704 73 1HD2 ASN 13 1HD2 ASN 13 -4.971 -22.089 6.564 74 2HD2 ASN 13 2HD2 ASN 13 -6.253 -20.980 6.631 75 H GLY 14 H GLY 14 -4.688 -24.825 10.357 76 1HA GLY 14 2HA GLY 14 -6.973 -23.575 11.586 77 2HA GLY 14 1HA GLY 14 -6.967 -25.325 11.777 78 H LYS 15 H LYS 15 -3.826 -24.253 11.499 79 HA LYS 15 HA LYS 15 -3.396 -23.467 14.251 80 1HB LYS 15 2HB LYS 15 -1.813 -25.439 14.624 81 2HB LYS 15 1HB LYS 15 -3.540 -25.795 14.702 82 1HG LYS 15 2HG LYS 15 -3.552 -26.765 12.534 83 2HG LYS 15 1HG LYS 15 -1.974 -26.087 12.135 84 1HD LYS 15 2HD LYS 15 -1.755 -28.476 12.650 85 2HD LYS 15 1HD LYS 15 -0.936 -27.514 13.880 86 1HE LYS 15 2HE LYS 15 -2.667 -27.851 15.462 87 2HE LYS 15 1HE LYS 15 -3.803 -28.399 14.229 88 1HZ LYS 15 1HZ LYS 15 -1.979 -30.215 13.875 89 2HZ LYS 15 2HZ LYS 15 -3.140 -30.379 15.105 90 3HZ LYS 15 3HZ LYS 15 -1.574 -29.834 15.478 91 H GLY 16 H GLY 16 -2.705 -21.777 12.538 92 1HA GLY 16 2HA GLY 16 0.207 -22.079 12.122 93 2HA GLY 16 1HA GLY 16 -0.810 -21.565 10.778 94 H GLY 17 H GLY 17 -1.443 -20.654 14.097 95 1HA GLY 17 2HA GLY 17 -1.388 -17.852 13.415 96 2HA GLY 17 1HA GLY 17 -1.744 -18.538 14.998 97 H GLU 18 H GLU 18 0.528 -20.000 15.505 98 HA GLU 18 HA GLU 18 2.277 -18.218 16.653 99 1HB GLU 18 2HB GLU 18 3.956 -20.093 16.589 100 2HB GLU 18 1HB GLU 18 2.382 -20.547 17.240 101 1HG GLU 18 2HG GLU 18 3.024 -20.906 14.311 102 2HG GLU 18 1HG GLU 18 3.467 -22.127 15.499 103 H LYS 19 H LYS 19 4.647 -17.944 16.086 104 HA LYS 19 HA LYS 19 4.805 -16.685 13.509 105 1HB LYS 19 2HB LYS 19 6.045 -16.261 15.927 106 2HB LYS 19 1HB LYS 19 7.311 -17.084 15.055 107 1HG LYS 19 2HG LYS 19 7.597 -14.711 14.691 108 2HG LYS 19 1HG LYS 19 7.082 -15.445 13.182 109 1HD LYS 19 2HD LYS 19 5.992 -13.205 13.873 110 2HD LYS 19 1HD LYS 19 4.917 -14.470 13.318 111 1HE LYS 19 2HE LYS 19 4.200 -13.210 15.420 112 2HE LYS 19 1HE LYS 19 4.204 -14.967 15.555 113 1HZ LYS 19 1HZ LYS 19 5.513 -13.212 17.191 114 2HZ LYS 19 2HZ LYS 19 6.746 -13.812 16.188 115 3HZ LYS 19 3HZ LYS 19 5.792 -14.883 17.098 116 H ALA 20 H ALA 20 7.230 -17.102 12.507 117 HA ALA 20 HA ALA 20 7.866 -19.911 12.306 118 1HB ALA 20 1HB ALA 20 6.728 -18.459 9.905 119 2HB ALA 20 2HB ALA 20 5.937 -19.766 10.785 120 3HB ALA 20 3HB ALA 20 7.425 -20.079 9.893 121 H ASP 21 H ASP 21 8.551 -18.452 9.394 122 HA ASP 21 HA ASP 21 10.874 -16.946 10.230 123 1HB ASP 21 2HB ASP 21 12.506 -18.432 9.122 124 2HB ASP 21 1HB ASP 21 11.730 -19.216 10.496 125 H ASN 22 H ASN 22 8.981 -18.463 7.663 126 HA ASN 22 HA ASN 22 10.110 -16.577 5.697 127 1HB ASN 22 2HB ASN 22 9.886 -19.081 5.222 128 2HB ASN 22 1HB ASN 22 8.177 -18.822 5.079 129 1HD2 ASN 22 1HD2 ASN 22 8.768 -15.999 3.983 130 2HD2 ASN 22 2HD2 ASN 22 9.243 -16.276 2.380 131 H ALA 23 H ALA 23 6.923 -17.900 5.391 132 HA ALA 23 HA ALA 23 5.610 -15.680 4.543 133 1HB ALA 23 1HB ALA 23 4.310 -17.635 6.438 134 2HB ALA 23 2HB ALA 23 4.698 -18.048 4.767 135 3HB ALA 23 3HB ALA 23 3.560 -16.745 5.112 136 H ALA 24 H ALA 24 5.887 -16.695 7.934 137 HA ALA 24 HA ALA 24 4.455 -14.540 9.041 138 1HB ALA 24 1HB ALA 24 6.760 -16.078 10.267 139 2HB ALA 24 2HB ALA 24 5.066 -16.569 10.314 140 3HB ALA 24 3HB ALA 24 5.583 -15.101 11.144 141 H GLN 25 H GLN 25 7.941 -14.904 9.508 142 HA GLN 25 HA GLN 25 8.643 -12.377 10.134 143 1HB GLN 25 2HB GLN 25 10.072 -14.508 9.799 144 2HB GLN 25 1HB GLN 25 10.278 -13.945 8.148 145 1HG GLN 25 2HG GLN 25 11.426 -12.000 8.807 146 2HG GLN 25 1HG GLN 25 10.856 -12.105 10.472 147 1HE2 GLN 25 1HE2 GLN 25 11.522 -14.526 11.425 148 2HE2 GLN 25 2HE2 GLN 25 13.171 -14.870 11.204 149 H VAL 26 H VAL 26 7.818 -13.545 6.934 150 HA VAL 26 HA VAL 26 8.741 -11.189 5.571 151 HB VAL 26 HB VAL 26 7.116 -13.590 4.710 152 1HG1 VAL 26 1HG1 VAL 26 6.227 -11.886 3.334 153 2HG1 VAL 26 2HG1 VAL 26 7.529 -12.589 2.370 154 3HG1 VAL 26 3HG1 VAL 26 7.780 -11.057 3.205 155 1HG2 VAL 26 1HG2 VAL 26 9.135 -14.223 3.614 156 2HG2 VAL 26 2HG2 VAL 26 9.678 -13.595 5.166 157 3HG2 VAL 26 3HG2 VAL 26 9.800 -12.596 3.718 158 H LYS 27 H LYS 27 5.517 -12.360 6.584 159 HA LYS 27 HA LYS 27 4.033 -10.371 5.325 160 1HB LYS 27 2HB LYS 27 2.240 -11.068 6.577 161 2HB LYS 27 1HB LYS 27 3.307 -12.453 6.773 162 1HG LYS 27 2HG LYS 27 4.147 -11.328 8.912 163 2HG LYS 27 1HG LYS 27 2.802 -10.206 8.739 164 1HD LYS 27 2HD LYS 27 2.515 -13.221 8.859 165 2HD LYS 27 1HD LYS 27 2.273 -12.142 10.232 166 1HE LYS 27 2HE LYS 27 0.574 -10.910 8.716 167 2HE LYS 27 1HE LYS 27 0.640 -12.352 7.702 168 1HZ LYS 27 1HZ LYS 27 0.372 -13.260 10.288 169 2HZ LYS 27 2HZ LYS 27 -0.819 -13.258 9.076 170 3HZ LYS 27 3HZ LYS 27 -0.708 -11.958 10.165 171 H ASP 28 H ASP 28 5.700 -10.280 8.454 172 HA ASP 28 HA ASP 28 4.807 -7.684 9.187 173 1HB ASP 28 2HB ASP 28 7.361 -9.145 9.922 174 2HB ASP 28 1HB ASP 28 6.763 -7.687 10.713 175 H ALA 29 H ALA 29 7.321 -8.931 7.131 176 HA ALA 29 HA ALA 29 8.763 -6.483 6.816 177 1HB ALA 29 1HB ALA 29 8.749 -8.733 4.815 178 2HB ALA 29 2HB ALA 29 9.569 -8.898 6.368 179 3HB ALA 29 3HB ALA 29 10.065 -7.637 5.238 180 H LEU 30 H LEU 30 5.808 -7.728 5.503 181 HA LEU 30 HA LEU 30 5.911 -6.076 3.102 182 1HB LEU 30 2HB LEU 30 3.964 -7.993 4.334 183 2HB LEU 30 1HB LEU 30 3.352 -6.829 3.162 184 HG LEU 30 HG LEU 30 5.844 -8.383 2.475 185 1HD1 LEU 30 1HD1 LEU 30 4.572 -10.247 3.070 186 2HD1 LEU 30 2HD1 LEU 30 4.165 -10.060 1.367 187 3HD1 LEU 30 3HD1 LEU 30 3.051 -9.492 2.610 188 1HD2 LEU 30 1HD2 LEU 30 5.048 -8.062 0.218 189 2HD2 LEU 30 2HD2 LEU 30 4.880 -6.519 1.052 190 3HD2 LEU 30 3HD2 LEU 30 3.466 -7.538 0.794 191 H THR 31 H THR 31 4.618 -5.967 6.349 192 HA THR 31 HA THR 31 2.943 -3.697 5.976 193 HB THR 31 HB THR 31 2.912 -3.558 8.400 194 HG1 THR 31 1HG THR 31 4.371 -5.531 9.189 195 1HG2 THR 31 1HG2 THR 31 1.552 -5.273 7.381 196 2HG2 THR 31 2HG2 THR 31 2.242 -5.917 8.873 197 3HG2 THR 31 3HG2 THR 31 2.928 -6.377 7.312 198 H LYS 32 H LYS 32 6.354 -4.180 6.397 199 HA LYS 32 HA LYS 32 7.164 -1.723 7.419 200 1HB LYS 32 2HB LYS 32 8.573 -3.806 6.615 201 2HB LYS 32 1HB LYS 32 8.635 -2.936 5.083 202 1HG LYS 32 2HG LYS 32 9.327 -0.893 6.678 203 2HG LYS 32 1HG LYS 32 9.835 -2.204 7.741 204 1HD LYS 32 2HD LYS 32 11.780 -1.849 6.500 205 2HD LYS 32 1HD LYS 32 11.014 -3.134 5.567 206 1HE LYS 32 2HE LYS 32 11.547 -1.589 3.892 207 2HE LYS 32 1HE LYS 32 9.886 -1.129 4.270 208 1HZ LYS 32 1HZ LYS 32 12.358 0.289 4.767 209 2HZ LYS 32 2HZ LYS 32 11.266 0.295 6.068 210 3HZ LYS 32 3HZ LYS 32 10.786 0.888 4.551 211 H MET 33 H MET 33 6.865 -2.612 3.969 212 HA MET 33 HA MET 33 7.088 -0.091 2.835 213 1HB MET 33 2HB MET 33 5.172 -2.271 1.959 214 2HB MET 33 1HB MET 33 5.833 -0.986 0.950 215 1HG MET 33 2HG MET 33 7.871 -2.661 2.345 216 2HG MET 33 1HG MET 33 6.929 -3.490 1.117 217 1HE MET 33 1HE MET 33 9.220 -0.457 1.945 218 2HE MET 33 2HE MET 33 10.341 -0.633 0.598 219 3HE MET 33 3HE MET 33 10.081 -1.983 1.700 220 H ARG 34 H ARG 34 3.970 -1.751 3.431 221 HA ARG 34 HA ARG 34 2.191 0.272 3.134 222 1HB ARG 34 2HB ARG 34 1.704 -2.080 3.926 223 2HB ARG 34 1HB ARG 34 2.137 -1.543 5.545 224 1HG ARG 34 2HG ARG 34 0.400 0.157 5.501 225 2HG ARG 34 1HG ARG 34 0.004 -0.252 3.831 226 1HD ARG 34 2HD ARG 34 -0.745 -2.457 4.484 227 2HD ARG 34 1HD ARG 34 -0.156 -2.223 6.129 228 HE ARG 34 HE ARG 34 -2.046 -0.201 5.449 229 1HH1 ARG 34 1HH2 ARG 34 -1.734 -3.556 6.246 230 2HH1 ARG 34 2HH2 ARG 34 -3.318 -3.680 6.936 231 1HH2 ARG 34 1HH1 ARG 34 -4.119 -0.358 6.352 232 2HH2 ARG 34 2HH1 ARG 34 -4.669 -1.868 6.996 233 H ALA 35 H ALA 35 3.276 -0.478 6.432 234 HA ALA 35 HA ALA 35 2.517 1.800 7.710 235 1HB ALA 35 1HB ALA 35 3.567 -0.119 8.837 236 2HB ALA 35 2HB ALA 35 4.329 1.399 9.315 237 3HB ALA 35 3HB ALA 35 5.129 0.337 8.156 238 H ALA 36 H ALA 36 5.147 1.501 5.432 239 HA ALA 36 HA ALA 36 6.357 4.031 6.151 240 1HB ALA 36 1HB ALA 36 6.870 2.623 3.540 241 2HB ALA 36 2HB ALA 36 7.518 1.973 5.044 242 3HB ALA 36 3HB ALA 36 7.969 3.592 4.519 243 H ALA 37 H ALA 37 4.301 2.781 3.543 244 HA ALA 37 HA ALA 37 4.141 5.019 1.918 245 1HB ALA 37 1HB ALA 37 2.076 4.146 1.107 246 2HB ALA 37 2HB ALA 37 1.750 3.313 2.626 247 3HB ALA 37 3HB ALA 37 3.039 2.743 1.567 248 H LEU 38 H LEU 38 2.271 4.227 4.833 249 HA LEU 38 HA LEU 38 0.744 6.652 4.803 250 1HB LEU 38 2HB LEU 38 1.357 4.685 7.016 251 2HB LEU 38 1HB LEU 38 0.226 6.025 7.180 252 HG LEU 38 HG LEU 38 -0.086 4.088 4.883 253 1HD1 LEU 38 1HD1 LEU 38 -1.054 3.672 7.727 254 2HD1 LEU 38 2HD1 LEU 38 0.059 2.639 6.832 255 3HD1 LEU 38 3HD1 LEU 38 -1.629 2.758 6.333 256 1HD2 LEU 38 1HD2 LEU 38 -1.497 6.081 4.865 257 2HD2 LEU 38 2HD2 LEU 38 -1.994 5.789 6.530 258 3HD2 LEU 38 3HD2 LEU 38 -2.498 4.685 5.253 259 H ASP 39 H ASP 39 3.686 5.600 6.443 260 HA ASP 39 HA ASP 39 4.111 7.698 8.176 261 1HB ASP 39 2HB ASP 39 5.481 5.609 7.996 262 2HB ASP 39 1HB ASP 39 6.278 6.322 6.594 263 H ALA 40 H ALA 40 5.404 7.446 4.852 264 HA ALA 40 HA ALA 40 6.501 10.066 4.852 265 1HB ALA 40 1HB ALA 40 5.698 8.553 2.376 266 2HB ALA 40 2HB ALA 40 7.097 8.079 3.340 267 3HB ALA 40 3HB ALA 40 7.041 9.675 2.594 268 H GLN 41 H GLN 41 3.490 8.740 3.524 269 HA GLN 41 HA GLN 41 2.416 10.696 2.069 270 1HB GLN 41 2HB GLN 41 1.034 8.880 2.313 271 2HB GLN 41 1HB GLN 41 1.376 8.742 4.035 272 1HG GLN 41 2HG GLN 41 -0.135 10.594 4.530 273 2HG GLN 41 1HG GLN 41 -0.413 10.862 2.801 274 1HE2 GLN 41 1HE2 GLN 41 -0.079 7.630 2.895 275 2HE2 GLN 41 2HE2 GLN 41 -1.685 7.151 3.202 276 H LYS 42 H LYS 42 2.368 10.694 5.656 277 HA LYS 42 HA LYS 42 2.239 13.639 5.571 278 1HB LYS 42 2HB LYS 42 0.030 11.876 6.593 279 2HB LYS 42 1HB LYS 42 0.292 13.456 7.326 280 1HG LYS 42 2HG LYS 42 0.123 14.500 5.069 281 2HG LYS 42 1HG LYS 42 -0.238 12.919 4.386 282 1HD LYS 42 2HD LYS 42 -1.889 13.991 6.673 283 2HD LYS 42 1HD LYS 42 -2.221 14.503 5.019 284 1HE LYS 42 2HE LYS 42 -2.410 12.088 4.363 285 2HE LYS 42 1HE LYS 42 -2.228 11.653 6.061 286 1HZ LYS 42 1HZ LYS 42 -4.358 12.075 6.395 287 2HZ LYS 42 2HZ LYS 42 -4.553 12.382 4.735 288 3HZ LYS 42 3HZ LYS 42 -4.192 13.655 5.802 289 H ALA 43 H ALA 43 3.563 10.934 6.994 290 HA ALA 43 HA ALA 43 3.855 12.242 9.638 291 1HB ALA 43 1HB ALA 43 3.262 9.659 9.093 292 2HB ALA 43 2HB ALA 43 4.078 10.171 10.569 293 3HB ALA 43 3HB ALA 43 5.017 9.540 9.220 294 H THR 44 H THR 44 5.552 12.004 6.728 295 HA THR 44 HA THR 44 7.920 13.108 7.972 296 HB THR 44 HB THR 44 8.056 10.463 6.535 297 HG1 THR 44 1HG THR 44 7.772 11.162 9.099 298 1HG2 THR 44 1HG2 THR 44 10.506 10.667 7.218 299 2HG2 THR 44 2HG2 THR 44 10.176 12.371 7.533 300 3HG2 THR 44 3HG2 THR 44 9.985 11.721 5.905 301 HA PRO 45 HA PRO 45 6.809 15.111 3.924 302 1HB PRO 45 2HB PRO 45 9.080 16.700 5.094 303 2HB PRO 45 1HB PRO 45 7.673 17.272 4.171 304 1HG PRO 45 2HG PRO 45 7.688 17.477 6.800 305 2HG PRO 45 1HG PRO 45 6.215 16.964 5.953 306 1HD PRO 45 2HD PRO 45 8.101 15.335 7.597 307 2HD PRO 45 1HD PRO 45 6.358 15.098 7.324 308 HA PRO 46 HA PRO 46 10.479 12.832 2.358 309 1HB PRO 46 2HB PRO 46 9.342 11.657 0.219 310 2HB PRO 46 1HB PRO 46 9.000 11.094 1.868 311 1HG PRO 46 2HG PRO 46 7.341 12.818 0.085 312 2HG PRO 46 1HG PRO 46 6.841 11.515 1.158 313 1HD PRO 46 2HD PRO 46 6.694 14.223 1.799 314 2HD PRO 46 1HD PRO 46 6.707 12.910 2.999 315 H LYS 47 H LYS 47 8.958 13.176 -0.693 316 HA LYS 47 HA LYS 47 11.016 15.045 -1.572 317 1HB LYS 47 2HB LYS 47 8.786 13.803 -3.195 318 2HB LYS 47 1HB LYS 47 10.271 14.538 -3.800 319 1HG LYS 47 2HG LYS 47 10.112 12.046 -2.076 320 2HG LYS 47 1HG LYS 47 10.442 12.078 -3.808 321 1HD LYS 47 2HD LYS 47 12.404 13.686 -3.161 322 2HD LYS 47 1HD LYS 47 12.182 13.035 -1.537 323 1HE LYS 47 2HE LYS 47 12.478 10.747 -2.410 324 2HE LYS 47 1HE LYS 47 12.716 11.398 -4.032 325 1HZ LYS 47 1HZ LYS 47 14.504 12.821 -2.749 326 2HZ LYS 47 2HZ LYS 47 14.862 11.276 -3.359 327 3HZ LYS 47 3HZ LYS 47 14.490 11.478 -1.713 328 H LEU 48 H LEU 48 7.883 15.232 -0.333 329 HA LEU 48 HA LEU 48 6.996 17.506 -1.890 330 1HB LEU 48 2HB LEU 48 5.914 16.724 0.815 331 2HB LEU 48 1HB LEU 48 5.076 17.527 -0.516 332 HG LEU 48 HG LEU 48 6.135 14.679 -0.633 333 1HD1 LEU 48 1HD1 LEU 48 3.923 13.907 -0.232 334 2HD1 LEU 48 2HD1 LEU 48 3.248 15.527 -0.383 335 3HD1 LEU 48 3HD1 LEU 48 4.235 15.110 1.017 336 1HD2 LEU 48 1HD2 LEU 48 5.978 15.533 -2.846 337 2HD2 LEU 48 2HD2 LEU 48 4.493 16.413 -2.486 338 3HD2 LEU 48 3HD2 LEU 48 4.469 14.654 -2.602 339 H GLU 49 H GLU 49 9.613 17.815 -0.739 340 HA GLU 49 HA GLU 49 9.613 19.383 1.605 341 1HB GLU 49 2HB GLU 49 11.493 19.279 -0.761 342 2HB GLU 49 1HB GLU 49 11.795 20.281 0.660 343 1HG GLU 49 2HG GLU 49 11.262 17.307 0.816 344 2HG GLU 49 1HG GLU 49 12.883 17.992 0.720 345 H ASP 50 H ASP 50 8.673 20.049 -1.638 346 HA ASP 50 HA ASP 50 7.732 22.683 -0.903 347 1HB ASP 50 2HB ASP 50 8.951 23.863 -2.683 348 2HB ASP 50 1HB ASP 50 10.065 23.179 -1.500 349 H LYS 51 H LYS 51 6.351 20.384 -1.628 350 HA LYS 51 HA LYS 51 5.131 21.242 -4.175 351 1HB LYS 51 2HB LYS 51 5.511 18.311 -3.555 352 2HB LYS 51 1HB LYS 51 5.060 19.066 -5.083 353 1HG LYS 51 2HG LYS 51 7.437 20.234 -4.833 354 2HG LYS 51 1HG LYS 51 7.768 18.852 -3.793 355 1HD LYS 51 2HD LYS 51 6.813 18.727 -6.672 356 2HD LYS 51 1HD LYS 51 8.444 18.367 -6.108 357 1HE LYS 51 2HE LYS 51 5.920 16.856 -5.353 358 2HE LYS 51 1HE LYS 51 7.197 16.281 -6.423 359 1HZ LYS 51 1HZ LYS 51 7.636 15.349 -4.331 360 2HZ LYS 51 2HZ LYS 51 7.357 16.814 -3.516 361 3HZ LYS 51 3HZ LYS 51 8.741 16.628 -4.484 362 H SER 52 H SER 52 4.172 21.902 -1.695 363 HA SER 52 HA SER 52 2.497 20.239 -0.335 364 1HB SER 52 2HB SER 52 2.951 22.957 -0.393 365 2HB SER 52 1HB SER 52 1.256 22.864 -0.850 366 HG SER 52 HG SER 52 0.991 22.637 1.231 367 HA PRO 53 HA PRO 53 -1.116 19.052 -2.586 368 1HB PRO 53 2HB PRO 53 -2.905 21.016 -1.205 369 2HB PRO 53 1HB PRO 53 -3.044 19.250 -1.319 370 1HG PRO 53 2HG PRO 53 -2.260 20.398 0.935 371 2HG PRO 53 1HG PRO 53 -1.507 18.892 0.376 372 1HD PRO 53 2HD PRO 53 -0.440 21.699 0.230 373 2HD PRO 53 1HD PRO 53 0.414 20.186 0.616 374 H ASP 54 H ASP 54 0.380 21.170 -3.803 375 HA ASP 54 HA ASP 54 -1.647 22.824 -5.178 376 1HB ASP 54 2HB ASP 54 0.302 23.976 -4.170 377 2HB ASP 54 1HB ASP 54 1.374 23.026 -5.198 378 H SER 55 H SER 55 1.430 21.273 -6.055 379 HA SER 55 HA SER 55 0.675 20.876 -8.786 380 1HB SER 55 2HB SER 55 2.887 19.218 -7.681 381 2HB SER 55 1HB SER 55 2.890 20.331 -9.053 382 HG SER 55 HG SER 55 4.130 20.975 -7.144 383 HA PRO 56 HA PRO 56 -1.094 16.828 -8.873 384 1HB PRO 56 2HB PRO 56 1.442 15.458 -9.696 385 2HB PRO 56 1HB PRO 56 -0.156 15.435 -10.472 386 1HG PRO 56 2HG PRO 56 1.812 16.857 -11.518 387 2HG PRO 56 1HG PRO 56 0.162 17.511 -11.471 388 1HD PRO 56 2HD PRO 56 2.493 18.158 -9.691 389 2HD PRO 56 1HD PRO 56 1.281 19.259 -10.389 390 H GLU 57 H GLU 57 1.040 17.626 -6.586 391 HA GLU 57 HA GLU 57 2.115 15.518 -5.279 392 1HB GLU 57 2HB GLU 57 2.271 17.649 -4.254 393 2HB GLU 57 1HB GLU 57 0.526 17.838 -4.170 394 1HG GLU 57 2HG GLU 57 0.355 16.109 -2.468 395 2HG GLU 57 1HG GLU 57 2.055 15.690 -2.659 396 H MET 58 H MET 58 -1.249 16.555 -4.798 397 HA MET 58 HA MET 58 -2.064 14.344 -3.273 398 1HB MET 58 2HB MET 58 -3.811 15.943 -5.147 399 2HB MET 58 1HB MET 58 -4.291 15.076 -3.687 400 1HG MET 58 2HG MET 58 -2.997 16.601 -2.293 401 2HG MET 58 1HG MET 58 -2.362 17.434 -3.715 402 1HE MET 58 1HE MET 58 -5.371 16.177 -1.911 403 2HE MET 58 2HE MET 58 -6.563 17.473 -1.952 404 3HE MET 58 3HE MET 58 -5.101 17.661 -0.987 405 H LYS 59 H LYS 59 -2.295 14.944 -6.780 406 HA LYS 59 HA LYS 59 -3.596 12.571 -7.492 407 1HB LYS 59 2HB LYS 59 -1.567 14.232 -9.005 408 2HB LYS 59 1HB LYS 59 -2.458 12.895 -9.726 409 1HG LYS 59 2HG LYS 59 -3.992 15.066 -8.303 410 2HG LYS 59 1HG LYS 59 -3.381 15.374 -9.925 411 1HD LYS 59 2HD LYS 59 -4.545 13.356 -10.749 412 2HD LYS 59 1HD LYS 59 -5.172 13.057 -9.127 413 1HE LYS 59 2HE LYS 59 -6.471 15.062 -9.155 414 2HE LYS 59 1HE LYS 59 -5.651 15.653 -10.600 415 1HZ LYS 59 1HZ LYS 59 -7.967 14.168 -10.500 416 2HZ LYS 59 2HZ LYS 59 -6.777 13.088 -11.051 417 3HZ LYS 59 3HZ LYS 59 -7.058 14.544 -11.881 418 H ASP 60 H ASP 60 -0.160 13.266 -7.014 419 HA ASP 60 HA ASP 60 0.692 10.609 -7.741 420 1HB ASP 60 2HB ASP 60 2.150 12.560 -8.062 421 2HB ASP 60 1HB ASP 60 2.175 12.832 -6.321 422 H PHE 61 H PHE 61 0.021 12.343 -4.749 423 HA PHE 61 HA PHE 61 0.980 10.231 -3.041 424 1HB PHE 61 2HB PHE 61 1.034 12.226 -1.839 425 2HB PHE 61 1HB PHE 61 -0.414 12.857 -2.616 426 HD1 PHE 61 1HD PHE 61 -1.820 13.420 -0.794 427 HD2 PHE 61 2HD PHE 61 0.042 9.555 -0.896 428 HE1 PHE 61 1HE PHE 61 -3.234 12.697 1.101 429 HE2 PHE 61 2HE PHE 61 -1.371 8.830 1.004 430 HZ PHE 61 HZ PHE 61 -3.013 10.402 1.999 431 H ARG 62 H ARG 62 -2.278 11.616 -3.402 432 HA ARG 62 HA ARG 62 -3.802 9.704 -2.257 433 1HB ARG 62 2HB ARG 62 -4.478 10.962 -4.929 434 2HB ARG 62 1HB ARG 62 -5.619 10.306 -3.759 435 1HG ARG 62 2HG ARG 62 -3.730 12.490 -2.891 436 2HG ARG 62 1HG ARG 62 -5.159 12.907 -3.829 437 1HD ARG 62 2HD ARG 62 -5.301 11.210 -1.337 438 2HD ARG 62 1HD ARG 62 -5.387 12.966 -1.295 439 HE ARG 62 HE ARG 62 -7.459 11.163 -2.188 440 1HH1 ARG 62 1HH2 ARG 62 -6.079 14.326 -2.443 441 2HH1 ARG 62 2HH2 ARG 62 -7.554 15.079 -2.953 442 1HH2 ARG 62 1HH1 ARG 62 -9.397 12.142 -2.851 443 2HH2 ARG 62 2HH1 ARG 62 -9.432 13.842 -3.184 444 H HIS 63 H HIS 63 -2.376 9.510 -5.508 445 HA HIS 63 HA HIS 63 -3.498 6.865 -5.926 446 1HB HIS 63 2HB HIS 63 -3.003 8.571 -7.768 447 2HB HIS 63 1HB HIS 63 -1.304 8.151 -7.549 448 HD1 HIS 63 1HD HIS 63 -0.676 6.571 -9.364 449 HD2 HIS 63 2HD HIS 63 -4.472 5.733 -7.858 450 HE1 HIS 63 1HE HIS 63 -1.477 4.487 -10.561 451 HE2 HIS 63 2HE HIS 63 -3.790 3.963 -9.652 452 H GLY 64 H GLY 64 -0.252 8.247 -5.544 453 1HA GLY 64 2HA GLY 64 1.351 6.066 -5.582 454 2HA GLY 64 1HA GLY 64 1.604 7.385 -4.456 455 H PHE 65 H PHE 65 -0.724 7.033 -2.834 456 HA PHE 65 HA PHE 65 0.225 4.781 -1.263 457 1HB PHE 65 2HB PHE 65 -0.549 6.042 0.454 458 2HB PHE 65 1HB PHE 65 -1.228 7.199 -0.676 459 HD1 PHE 65 1HD PHE 65 -3.513 6.327 -1.825 460 HD2 PHE 65 2HD PHE 65 -2.018 5.025 1.968 461 HE1 PHE 65 1HE PHE 65 -5.768 5.628 -1.212 462 HE2 PHE 65 2HE PHE 65 -4.310 4.320 2.605 463 HZ PHE 65 HZ PHE 65 -6.178 4.627 1.000 464 H ASP 66 H ASP 66 -2.354 5.492 -3.481 465 HA ASP 66 HA ASP 66 -3.983 3.227 -2.856 466 1HB ASP 66 2HB ASP 66 -4.675 5.324 -4.154 467 2HB ASP 66 1HB ASP 66 -3.825 4.624 -5.533 468 H ILE 67 H ILE 67 -1.180 3.874 -4.780 469 HA ILE 67 HA ILE 67 -1.223 1.481 -6.362 470 HB ILE 67 HB ILE 67 0.928 3.526 -5.721 471 1HG1 ILE 67 2HG1 ILE 67 -0.654 2.965 -8.249 472 2HG1 ILE 67 1HG1 ILE 67 -1.055 4.208 -7.069 473 1HG2 ILE 67 1HG2 ILE 67 2.090 1.468 -6.240 474 2HG2 ILE 67 2HG2 ILE 67 2.117 2.457 -7.700 475 3HG2 ILE 67 3HG2 ILE 67 0.982 1.112 -7.566 476 1HD1 ILE 67 1HD1 ILE 67 0.506 4.667 -9.245 477 2HD1 ILE 67 2HD1 ILE 67 1.750 4.263 -8.064 478 3HD1 ILE 67 3HD1 ILE 67 0.633 5.592 -7.753 479 H LEU 68 H LEU 68 0.798 2.621 -3.696 480 HA LEU 68 HA LEU 68 2.246 0.288 -3.263 481 1HB LEU 68 2HB LEU 68 1.634 2.734 -1.731 482 2HB LEU 68 1HB LEU 68 2.099 1.356 -0.737 483 HG LEU 68 HG LEU 68 4.122 1.056 -2.250 484 1HD1 LEU 68 1HD1 LEU 68 4.757 2.910 -3.705 485 2HD1 LEU 68 2HD1 LEU 68 3.303 3.799 -3.249 486 3HD1 LEU 68 3HD1 LEU 68 3.168 2.308 -4.181 487 1HD2 LEU 68 1HD2 LEU 68 4.509 2.124 -0.152 488 2HD2 LEU 68 2HD2 LEU 68 3.785 3.636 -0.703 489 3HD2 LEU 68 3HD2 LEU 68 5.326 3.100 -1.366 490 H VAL 69 H VAL 69 -0.797 1.273 -1.647 491 HA VAL 69 HA VAL 69 -0.997 -1.057 -0.053 492 HB VAL 69 HB VAL 69 -3.280 -0.417 0.366 493 1HG1 VAL 69 1HG1 VAL 69 -2.857 2.233 0.583 494 2HG1 VAL 69 2HG1 VAL 69 -1.201 1.741 0.238 495 3HG1 VAL 69 3HG1 VAL 69 -2.041 1.075 1.633 496 1HG2 VAL 69 1HG2 VAL 69 -2.934 1.215 -2.147 497 2HG2 VAL 69 2HG2 VAL 69 -4.226 1.540 -0.992 498 3HG2 VAL 69 3HG2 VAL 69 -4.144 -0.022 -1.808 499 H GLY 70 H GLY 70 -1.787 -0.433 -3.380 500 1HA GLY 70 2HA GLY 70 -3.554 -2.680 -3.705 501 2HA GLY 70 1HA GLY 70 -2.851 -1.709 -4.995 502 H GLN 71 H GLN 71 -0.111 -2.098 -4.041 503 HA GLN 71 HA GLN 71 0.370 -4.687 -5.298 504 1HB GLN 71 2HB GLN 71 2.322 -2.606 -4.280 505 2HB GLN 71 1HB GLN 71 2.711 -4.009 -5.275 506 1HG GLN 71 2HG GLN 71 1.467 -3.167 -7.124 507 2HG GLN 71 1HG GLN 71 0.715 -1.921 -6.135 508 1HE2 GLN 71 1HE2 GLN 71 3.147 -1.076 -4.759 509 2HE2 GLN 71 2HE2 GLN 71 4.124 -0.313 -5.912 510 H ILE 72 H ILE 72 1.063 -3.047 -2.233 511 HA ILE 72 HA ILE 72 2.472 -4.961 -0.852 512 HB ILE 72 HB ILE 72 0.453 -2.887 -0.101 513 1HG1 ILE 72 2HG1 ILE 72 3.121 -3.288 1.232 514 2HG1 ILE 72 1HG1 ILE 72 3.091 -2.730 -0.437 515 1HG2 ILE 72 1HG2 ILE 72 0.756 -3.467 2.336 516 2HG2 ILE 72 2HG2 ILE 72 1.425 -5.017 1.821 517 3HG2 ILE 72 3HG2 ILE 72 -0.247 -4.603 1.437 518 1HD1 ILE 72 1HD1 ILE 72 1.444 -1.409 1.718 519 2HD1 ILE 72 2HD1 ILE 72 1.841 -0.788 0.120 520 3HD1 ILE 72 3HD1 ILE 72 3.095 -0.910 1.348 521 H ASP 73 H ASP 73 -1.017 -4.828 -1.421 522 HA ASP 73 HA ASP 73 -1.593 -7.244 0.008 523 1HB ASP 73 2HB ASP 73 -3.295 -5.474 -0.474 524 2HB ASP 73 1HB ASP 73 -3.203 -5.903 -2.182 525 H ASP 74 H ASP 74 -1.459 -6.418 -3.454 526 HA ASP 74 HA ASP 74 -1.812 -8.836 -4.648 527 1HB ASP 74 2HB ASP 74 -1.258 -6.560 -5.714 528 2HB ASP 74 1HB ASP 74 0.432 -7.017 -5.506 529 H ALA 75 H ALA 75 1.034 -7.693 -2.929 530 HA ALA 75 HA ALA 75 2.760 -9.807 -3.707 531 1HB ALA 75 1HB ALA 75 4.003 -9.127 -1.567 532 2HB ALA 75 2HB ALA 75 2.780 -7.868 -1.404 533 3HB ALA 75 3HB ALA 75 3.830 -7.897 -2.818 534 H LEU 76 H LEU 76 1.362 -9.241 -0.443 535 HA LEU 76 HA LEU 76 1.747 -11.839 0.488 536 1HB LEU 76 2HB LEU 76 0.888 -9.841 1.839 537 2HB LEU 76 1HB LEU 76 -0.703 -10.227 1.187 538 HG LEU 76 HG LEU 76 -0.099 -12.704 2.027 539 1HD1 LEU 76 1HD1 LEU 76 1.584 -10.898 3.806 540 2HD1 LEU 76 2HD1 LEU 76 2.182 -12.179 2.752 541 3HD1 LEU 76 3HD1 LEU 76 1.196 -12.582 4.156 542 1HD2 LEU 76 1HD2 LEU 76 -2.008 -11.405 2.851 543 2HD2 LEU 76 2HD2 LEU 76 -0.944 -10.426 3.862 544 3HD2 LEU 76 3HD2 LEU 76 -1.167 -12.141 4.215 545 H LYS 77 H LYS 77 -0.996 -10.451 -1.260 546 HA LYS 77 HA LYS 77 -2.865 -12.413 -1.317 547 1HB LYS 77 2HB LYS 77 -2.866 -10.222 -2.563 548 2HB LYS 77 1HB LYS 77 -1.870 -10.984 -3.792 549 1HG LYS 77 2HG LYS 77 -4.528 -12.149 -2.941 550 2HG LYS 77 1HG LYS 77 -4.431 -10.893 -4.162 551 1HD LYS 77 2HD LYS 77 -3.997 -12.474 -5.734 552 2HD LYS 77 1HD LYS 77 -2.471 -12.820 -4.934 553 1HE LYS 77 2HE LYS 77 -3.454 -14.926 -4.865 554 2HE LYS 77 1HE LYS 77 -4.069 -14.290 -3.342 555 1HZ LYS 77 1HZ LYS 77 -5.972 -13.409 -4.829 556 2HZ LYS 77 2HZ LYS 77 -5.966 -15.042 -4.358 557 3HZ LYS 77 3HZ LYS 77 -5.452 -14.602 -5.917 558 H LEU 78 H LEU 78 -0.004 -12.283 -3.386 559 HA LEU 78 HA LEU 78 -0.385 -14.821 -4.598 560 1HB LEU 78 2HB LEU 78 0.981 -13.152 -5.646 561 2HB LEU 78 1HB LEU 78 2.064 -13.098 -4.260 562 HG LEU 78 HG LEU 78 2.935 -15.269 -4.710 563 1HD1 LEU 78 1HD1 LEU 78 1.000 -16.580 -5.211 564 2HD1 LEU 78 2HD1 LEU 78 1.983 -16.627 -6.667 565 3HD1 LEU 78 3HD1 LEU 78 0.578 -15.564 -6.588 566 1HD2 LEU 78 1HD2 LEU 78 3.585 -15.098 -7.135 567 2HD2 LEU 78 2HD2 LEU 78 3.851 -13.623 -6.209 568 3HD2 LEU 78 3HD2 LEU 78 2.458 -13.757 -7.282 569 H ALA 79 H ALA 79 1.953 -13.794 -2.098 570 HA ALA 79 HA ALA 79 3.087 -16.247 -1.477 571 1HB ALA 79 1HB ALA 79 3.795 -14.037 -0.566 572 2HB ALA 79 2HB ALA 79 3.648 -15.283 0.666 573 3HB ALA 79 3HB ALA 79 2.394 -14.065 0.499 574 H ASN 80 H ASN 80 0.127 -14.827 -0.042 575 HA ASN 80 HA ASN 80 -0.290 -16.952 1.745 576 1HB ASN 80 2HB ASN 80 -2.183 -15.845 2.419 577 2HB ASN 80 1HB ASN 80 -1.405 -14.528 1.563 578 1HD2 ASN 80 1HD2 ASN 80 -2.938 -13.421 0.341 579 2HD2 ASN 80 2HD2 ASN 80 -4.211 -14.150 -0.508 580 H GLU 81 H GLU 81 -0.880 -16.488 -1.611 581 HA GLU 81 HA GLU 81 -2.845 -18.542 -1.904 582 1HB GLU 81 2HB GLU 81 -2.400 -16.563 -3.495 583 2HB GLU 81 1HB GLU 81 -1.077 -17.541 -4.128 584 1HG GLU 81 2HG GLU 81 -2.988 -18.006 -5.500 585 2HG GLU 81 1HG GLU 81 -2.751 -19.413 -4.464 586 H GLY 82 H GLY 82 0.662 -18.365 -2.726 587 1HA GLY 82 2HA GLY 82 0.753 -21.305 -2.407 588 2HA GLY 82 1HA GLY 82 1.444 -20.536 -3.829 589 H LYS 83 H LYS 83 3.397 -19.457 -3.667 590 HA LYS 83 HA LYS 83 4.904 -20.009 -1.194 591 1HB LYS 83 2HB LYS 83 5.530 -21.118 -3.348 592 2HB LYS 83 1HB LYS 83 5.961 -19.536 -3.967 593 1HG LYS 83 2HG LYS 83 8.023 -20.316 -3.196 594 2HG LYS 83 1HG LYS 83 7.456 -19.380 -1.830 595 1HD LYS 83 2HD LYS 83 8.334 -21.497 -1.037 596 2HD LYS 83 1HD LYS 83 6.599 -21.457 -0.777 597 1HE LYS 83 2HE LYS 83 7.493 -22.603 -3.384 598 2HE LYS 83 1HE LYS 83 7.862 -23.556 -1.948 599 1HZ LYS 83 1HZ LYS 83 5.443 -23.393 -3.260 600 2HZ LYS 83 2HZ LYS 83 5.224 -22.538 -1.808 601 3HZ LYS 83 3HZ LYS 83 5.755 -24.151 -1.775 602 H VAL 84 H VAL 84 6.150 -18.572 -0.162 603 HA VAL 84 HA VAL 84 5.599 -15.765 -0.512 604 HB VAL 84 HB VAL 84 7.546 -17.230 1.279 605 1HG1 VAL 84 1HG1 VAL 84 6.890 -14.316 0.927 606 2HG1 VAL 84 2HG1 VAL 84 8.441 -15.079 1.277 607 3HG1 VAL 84 3HG1 VAL 84 7.233 -14.909 2.550 608 1HG2 VAL 84 1HG2 VAL 84 4.852 -17.374 1.466 609 2HG2 VAL 84 2HG2 VAL 84 5.099 -15.848 2.318 610 3HG2 VAL 84 3HG2 VAL 84 5.888 -17.312 2.890 611 H LYS 85 H LYS 85 8.087 -17.962 -1.505 612 HA LYS 85 HA LYS 85 10.141 -16.053 -2.031 613 1HB LYS 85 2HB LYS 85 9.781 -18.768 -3.322 614 2HB LYS 85 1HB LYS 85 11.279 -17.857 -3.148 615 1HG LYS 85 2HG LYS 85 9.627 -18.898 -0.827 616 2HG LYS 85 1HG LYS 85 11.057 -19.703 -1.473 617 1HD LYS 85 2HD LYS 85 12.257 -17.429 -1.072 618 2HD LYS 85 1HD LYS 85 10.878 -17.050 -0.040 619 1HE LYS 85 2HE LYS 85 12.485 -18.009 1.423 620 2HE LYS 85 1HE LYS 85 11.335 -19.308 1.108 621 1HZ LYS 85 1HZ LYS 85 13.902 -19.683 0.860 622 2HZ LYS 85 2HZ LYS 85 13.633 -19.025 -0.684 623 3HZ LYS 85 3HZ LYS 85 12.804 -20.425 -0.199 624 H GLU 86 H GLU 86 7.419 -17.397 -3.712 625 HA GLU 86 HA GLU 86 8.105 -16.421 -6.311 626 1HB GLU 86 2HB GLU 86 6.435 -18.260 -5.826 627 2HB GLU 86 1HB GLU 86 5.344 -17.018 -5.214 628 1HG GLU 86 2HG GLU 86 4.702 -17.261 -7.468 629 2HG GLU 86 1HG GLU 86 5.742 -15.843 -7.461 630 H ALA 87 H ALA 87 6.552 -15.207 -3.480 631 HA ALA 87 HA ALA 87 5.551 -12.790 -4.696 632 1HB ALA 87 1HB ALA 87 4.340 -13.863 -2.832 633 2HB ALA 87 2HB ALA 87 4.831 -12.217 -2.429 634 3HB ALA 87 3HB ALA 87 5.733 -13.589 -1.786 635 H GLN 88 H GLN 88 8.103 -13.699 -2.365 636 HA GLN 88 HA GLN 88 9.150 -11.202 -1.808 637 1HB GLN 88 2HB GLN 88 10.926 -12.327 -0.877 638 2HB GLN 88 1HB GLN 88 9.869 -13.707 -1.120 639 1HG GLN 88 2HG GLN 88 11.875 -14.472 -2.045 640 2HG GLN 88 1HG GLN 88 11.041 -13.862 -3.462 641 1HE2 GLN 88 1HE2 GLN 88 11.522 -11.053 -2.326 642 2HE2 GLN 88 2HE2 GLN 88 13.120 -10.702 -2.757 643 H ALA 89 H ALA 89 9.437 -13.145 -4.689 644 HA ALA 89 HA ALA 89 11.319 -11.366 -5.982 645 1HB ALA 89 1HB ALA 89 9.542 -13.539 -7.136 646 2HB ALA 89 2HB ALA 89 11.208 -13.760 -6.605 647 3HB ALA 89 3HB ALA 89 10.853 -12.723 -7.986 648 H ALA 90 H ALA 90 7.834 -12.071 -6.035 649 HA ALA 90 HA ALA 90 7.177 -10.135 -8.011 650 1HB ALA 90 1HB ALA 90 5.281 -10.761 -5.764 651 2HB ALA 90 2HB ALA 90 5.713 -12.036 -6.904 652 3HB ALA 90 3HB ALA 90 4.948 -10.558 -7.484 653 H ALA 91 H ALA 91 8.362 -9.881 -4.869 654 HA ALA 91 HA ALA 91 7.159 -7.335 -4.213 655 1HB ALA 91 1HB ALA 91 8.259 -7.498 -2.161 656 2HB ALA 91 2HB ALA 91 9.569 -8.471 -2.826 657 3HB ALA 91 3HB ALA 91 7.977 -9.187 -2.579 658 H GLU 92 H GLU 92 10.256 -8.520 -5.440 659 HA GLU 92 HA GLU 92 11.676 -6.105 -5.254 660 1HB GLU 92 2HB GLU 92 13.356 -7.163 -6.445 661 2HB GLU 92 1HB GLU 92 12.446 -8.559 -5.885 662 1HG GLU 92 2HG GLU 92 12.729 -9.036 -8.160 663 2HG GLU 92 1HG GLU 92 11.133 -8.298 -8.135 664 H GLN 93 H GLN 93 9.449 -7.300 -7.739 665 HA GLN 93 HA GLN 93 10.046 -5.249 -9.621 666 1HB GLN 93 2HB GLN 93 7.755 -5.840 -10.561 667 2HB GLN 93 1HB GLN 93 8.925 -7.156 -10.478 668 1HG GLN 93 2HG GLN 93 7.928 -7.967 -8.420 669 2HG GLN 93 1HG GLN 93 6.817 -6.599 -8.380 670 1HE2 GLN 93 1HE2 GLN 93 4.832 -6.892 -9.429 671 2HE2 GLN 93 2HE2 GLN 93 4.494 -8.158 -10.508 672 H LEU 94 H LEU 94 8.433 -5.188 -6.632 673 HA LEU 94 HA LEU 94 6.675 -2.965 -7.271 674 1HB LEU 94 2HB LEU 94 7.447 -4.012 -4.539 675 2HB LEU 94 1HB LEU 94 6.091 -2.959 -4.927 676 HG LEU 94 HG LEU 94 6.463 -5.831 -5.809 677 1HD1 LEU 94 1HD1 LEU 94 5.700 -5.692 -3.526 678 2HD1 LEU 94 2HD1 LEU 94 4.293 -6.078 -4.514 679 3HD1 LEU 94 3HD1 LEU 94 4.540 -4.433 -3.930 680 1HD2 LEU 94 1HD2 LEU 94 5.380 -4.878 -7.656 681 2HD2 LEU 94 2HD2 LEU 94 4.530 -3.686 -6.675 682 3HD2 LEU 94 3HD2 LEU 94 4.015 -5.374 -6.658 683 H LYS 95 H LYS 95 9.390 -3.310 -4.937 684 HA LYS 95 HA LYS 95 9.738 -0.653 -4.352 685 1HB LYS 95 2HB LYS 95 12.102 -1.132 -3.907 686 2HB LYS 95 1HB LYS 95 11.075 -2.431 -3.309 687 1HG LYS 95 2HG LYS 95 11.569 -3.771 -5.291 688 2HG LYS 95 1HG LYS 95 12.558 -2.471 -5.953 689 1HD LYS 95 2HD LYS 95 13.929 -2.626 -3.798 690 2HD LYS 95 1HD LYS 95 13.073 -4.137 -3.488 691 1HE LYS 95 2HE LYS 95 13.844 -5.002 -5.685 692 2HE LYS 95 1HE LYS 95 14.747 -3.508 -5.938 693 1HZ LYS 95 1HZ LYS 95 15.450 -5.790 -4.402 694 2HZ LYS 95 2HZ LYS 95 15.467 -4.393 -3.435 695 3HZ LYS 95 3HZ LYS 95 16.407 -4.463 -4.849 696 H THR 96 H THR 96 10.478 -2.304 -7.314 697 HA THR 96 HA THR 96 12.068 -0.176 -8.436 698 HB THR 96 HB THR 96 10.572 -2.268 -9.996 699 HG1 THR 96 1HG THR 96 13.118 -2.915 -9.383 700 1HG2 THR 96 1HG2 THR 96 13.258 -0.931 -10.412 701 2HG2 THR 96 2HG2 THR 96 11.761 -0.455 -11.214 702 3HG2 THR 96 3HG2 THR 96 12.463 -2.042 -11.527 703 H THR 97 H THR 97 8.696 -1.207 -8.554 704 HA THR 97 HA THR 97 7.808 0.609 -10.528 705 HB THR 97 HB THR 97 6.198 -0.536 -8.238 706 HG1 THR 97 1HG THR 97 6.101 -1.726 -10.704 707 1HG2 THR 97 1HG2 THR 97 4.351 -0.338 -9.903 708 2HG2 THR 97 2HG2 THR 97 5.469 0.473 -11.000 709 3HG2 THR 97 3HG2 THR 97 5.044 1.223 -9.462 710 H ILE 98 H ILE 98 7.759 0.799 -6.951 711 HA ILE 98 HA ILE 98 6.564 3.354 -6.870 712 HB ILE 98 HB ILE 98 6.941 3.338 -4.583 713 1HG1 ILE 98 2HG1 ILE 98 9.534 1.849 -5.105 714 2HG1 ILE 98 1HG1 ILE 98 9.389 3.535 -4.610 715 1HG2 ILE 98 1HG2 ILE 98 7.541 0.427 -5.115 716 2HG2 ILE 98 2HG2 ILE 98 5.960 1.129 -5.453 717 3HG2 ILE 98 3HG2 ILE 98 6.589 1.127 -3.807 718 1HD1 ILE 98 1HD1 ILE 98 8.712 1.056 -3.013 719 2HD1 ILE 98 2HD1 ILE 98 8.139 2.658 -2.551 720 3HD1 ILE 98 3HD1 ILE 98 9.870 2.324 -2.613 721 H ARG 99 H ARG 99 9.788 2.250 -7.568 722 HA ARG 99 HA ARG 99 11.046 4.755 -7.050 723 1HB ARG 99 2HB ARG 99 11.888 2.198 -8.273 724 2HB ARG 99 1HB ARG 99 12.654 3.597 -9.010 725 1HG ARG 99 2HG ARG 99 12.655 2.913 -6.050 726 2HG ARG 99 1HG ARG 99 14.020 2.767 -7.151 727 1HD ARG 99 2HD ARG 99 13.295 5.414 -7.519 728 2HD ARG 99 1HD ARG 99 12.945 5.179 -5.812 729 HE ARG 99 HE ARG 99 15.521 5.422 -6.950 730 1HH1 ARG 99 1HH2 ARG 99 13.724 3.533 -4.675 731 2HH1 ARG 99 2HH2 ARG 99 15.100 3.157 -3.692 732 1HH2 ARG 99 1HH1 ARG 99 17.328 4.932 -5.668 733 2HH2 ARG 99 2HH1 ARG 99 17.141 3.949 -4.254 734 H ALA 100 H ALA 100 9.136 3.522 -9.636 735 HA ALA 100 HA ALA 100 9.946 5.447 -11.592 736 1HB ALA 100 1HB ALA 100 7.251 4.078 -11.335 737 2HB ALA 100 2HB ALA 100 8.653 3.342 -12.112 738 3HB ALA 100 3HB ALA 100 7.937 4.805 -12.788 739 H TYR 101 H TYR 101 7.542 5.273 -9.025 740 HA TYR 101 HA TYR 101 6.424 7.874 -9.617 741 1HB TYR 101 2HB TYR 101 4.758 6.849 -8.443 742 2HB TYR 101 1HB TYR 101 5.860 5.632 -7.812 743 HD1 TYR 101 1HD TYR 101 5.135 9.292 -7.397 744 HD2 TYR 101 2HD TYR 101 6.169 5.585 -5.491 745 HE1 TYR 101 1HE TYR 101 5.076 10.412 -5.184 746 HE2 TYR 101 2HE TYR 101 6.102 6.702 -3.279 747 HH TYR 101 HH TYR 101 6.321 8.969 -2.360 748 H ASN 102 H ASN 102 8.486 6.535 -7.044 749 HA ASN 102 HA ASN 102 9.012 8.906 -5.674 750 1HB ASN 102 2HB ASN 102 9.643 6.425 -5.111 751 2HB ASN 102 1HB ASN 102 11.128 6.781 -5.992 752 1HD2 ASN 102 1HD2 ASN 102 11.519 9.465 -5.233 753 2HD2 ASN 102 2HD2 ASN 102 11.811 9.527 -3.564 754 H GLN 103 H GLN 103 10.646 7.469 -8.467 755 HA GLN 103 HA GLN 103 12.647 9.551 -8.577 756 1HB GLN 103 2HB GLN 103 13.010 7.169 -9.347 757 2HB GLN 103 1HB GLN 103 11.953 7.543 -10.711 758 1HG GLN 103 2HG GLN 103 13.466 9.080 -11.638 759 2HG GLN 103 1HG GLN 103 14.325 9.308 -10.118 760 1HE2 GLN 103 1HE2 GLN 103 13.453 6.267 -11.858 761 2HE2 GLN 103 2HE2 GLN 103 15.050 5.705 -11.957 762 H LYS 104 H LYS 104 9.591 8.797 -10.180 763 HA LYS 104 HA LYS 104 9.634 10.401 -12.403 764 1HB LYS 104 2HB LYS 104 7.585 9.315 -12.110 765 2HB LYS 104 1HB LYS 104 7.444 9.810 -10.430 766 1HG LYS 104 2HG LYS 104 6.652 11.950 -10.974 767 2HG LYS 104 1HG LYS 104 7.388 11.919 -12.579 768 1HD LYS 104 2HD LYS 104 5.729 10.354 -13.381 769 2HD LYS 104 1HD LYS 104 5.079 10.135 -11.756 770 1HE LYS 104 2HE LYS 104 4.371 12.477 -11.692 771 2HE LYS 104 1HE LYS 104 5.082 12.756 -13.280 772 1HZ LYS 104 1HZ LYS 104 2.666 12.347 -13.343 773 2HZ LYS 104 2HZ LYS 104 2.932 10.786 -12.730 774 3HZ LYS 104 3HZ LYS 104 3.549 11.220 -14.251 775 H TYR 105 H TYR 105 9.023 11.421 -9.066 776 HA TYR 105 HA TYR 105 9.347 14.244 -9.908 777 1HB TYR 105 2HB TYR 105 7.781 12.882 -7.819 778 2HB TYR 105 1HB TYR 105 8.650 14.286 -7.202 779 HD1 TYR 105 1HD TYR 105 5.625 13.308 -8.640 780 HD2 TYR 105 2HD TYR 105 8.622 16.362 -8.968 781 HE1 TYR 105 1HE TYR 105 3.987 14.790 -9.742 782 HE2 TYR 105 2HE TYR 105 6.973 17.860 -10.058 783 HH TYR 105 HH TYR 105 4.745 17.391 -11.489 784 H GLY 106 H GLY 106 10.866 11.691 -8.118 785 1HA GLY 106 2HA GLY 106 12.834 11.585 -6.919 786 2HA GLY 106 1HA GLY 106 13.388 12.822 -8.044 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 5.673 -38.781 2.028 2 2H ALA 1 2HT ALA 1 7.306 -38.479 1.669 3 3H ALA 1 3HT ALA 1 6.839 -38.868 3.256 4 HA ALA 1 HA ALA 1 6.075 -40.835 1.291 5 1HB ALA 1 1HB ALA 1 8.367 -41.735 1.068 6 2HB ALA 1 2HB ALA 1 8.997 -40.334 1.934 7 3HB ALA 1 3HB ALA 1 8.242 -40.127 0.354 8 H ASP 2 H ASP 2 6.496 -39.607 4.302 9 HA ASP 2 HA ASP 2 7.075 -42.154 5.653 10 1HB ASP 2 2HB ASP 2 6.608 -39.377 6.768 11 2HB ASP 2 1HB ASP 2 7.083 -40.794 7.704 12 H LEU 3 H LEU 3 5.540 -43.408 6.500 13 HA LEU 3 HA LEU 3 2.960 -42.326 7.307 14 1HB LEU 3 2HB LEU 3 1.715 -43.998 5.925 15 2HB LEU 3 1HB LEU 3 2.477 -42.723 4.979 16 HG LEU 3 HG LEU 3 4.131 -45.183 5.447 17 1HD1 LEU 3 1HD1 LEU 3 1.647 -45.147 3.726 18 2HD1 LEU 3 2HD1 LEU 3 2.113 -46.333 4.946 19 3HD1 LEU 3 3HD1 LEU 3 2.991 -46.249 3.419 20 1HD2 LEU 3 1HD2 LEU 3 4.849 -43.188 4.078 21 2HD2 LEU 3 2HD2 LEU 3 3.567 -43.578 2.935 22 3HD2 LEU 3 3HD2 LEU 3 4.891 -44.714 3.196 23 H GLU 4 H GLU 4 4.985 -43.428 8.852 24 HA GLU 4 HA GLU 4 3.576 -45.657 10.045 25 1HB GLU 4 2HB GLU 4 5.648 -46.195 8.177 26 2HB GLU 4 1HB GLU 4 6.353 -46.509 9.758 27 1HG GLU 4 2HG GLU 4 3.754 -47.680 8.713 28 2HG GLU 4 1HG GLU 4 5.289 -48.537 8.844 29 H ASP 5 H ASP 5 5.984 -43.189 10.048 30 HA ASP 5 HA ASP 5 6.971 -43.737 12.707 31 1HB ASP 5 2HB ASP 5 8.104 -41.547 12.464 32 2HB ASP 5 1HB ASP 5 8.417 -42.613 11.097 33 H ASN 6 H ASN 6 6.873 -41.867 14.343 34 HA ASN 6 HA ASN 6 4.453 -40.277 14.319 35 1HB ASN 6 2HB ASN 6 4.756 -42.598 16.236 36 2HB ASN 6 1HB ASN 6 3.575 -41.302 16.424 37 1HD2 ASN 6 1HD2 ASN 6 4.513 -44.017 14.303 38 2HD2 ASN 6 2HD2 ASN 6 3.005 -44.144 13.534 39 H ASP 7 H ASP 7 6.090 -41.646 17.127 40 HA ASP 7 HA ASP 7 6.543 -39.122 18.324 41 1HB ASP 7 2HB ASP 7 7.886 -41.775 18.894 42 2HB ASP 7 1HB ASP 7 7.887 -40.369 19.956 43 H GLU 8 H GLU 8 7.688 -37.743 17.002 44 HA GLU 8 HA GLU 8 10.091 -38.476 15.649 45 1HB GLU 8 2HB GLU 8 8.942 -35.772 16.373 46 2HB GLU 8 1HB GLU 8 10.349 -36.010 15.335 47 1HG GLU 8 2HG GLU 8 8.979 -37.369 13.792 48 2HG GLU 8 1HG GLU 8 7.573 -37.121 14.826 49 H THR 9 H THR 9 10.072 -35.728 17.831 50 HA THR 9 HA THR 9 11.869 -36.959 19.738 51 HB THR 9 HB THR 9 12.955 -34.656 18.116 52 HG1 THR 9 1HG THR 9 13.985 -36.104 16.867 53 1HG2 THR 9 1HG2 THR 9 13.890 -35.003 20.367 54 2HG2 THR 9 2HG2 THR 9 15.079 -35.398 19.126 55 3HG2 THR 9 3HG2 THR 9 14.224 -36.689 19.970 56 H GLY 10 H GLY 10 10.975 -33.755 18.433 57 1HA GLY 10 2HA GLY 10 9.538 -33.003 20.783 58 2HA GLY 10 1HA GLY 10 11.140 -32.270 20.763 59 H ASN 11 H ASN 11 9.436 -32.964 17.800 60 HA ASN 11 HA ASN 11 9.534 -30.183 17.028 61 1HB ASN 11 2HB ASN 11 8.343 -32.588 15.627 62 2HB ASN 11 1HB ASN 11 8.555 -30.993 14.911 63 1HD2 ASN 11 1HD2 ASN 11 9.857 -33.499 14.012 64 2HD2 ASN 11 2HD2 ASN 11 11.527 -33.244 14.165 65 H ASP 12 H ASP 12 8.088 -29.751 19.037 66 HA ASP 12 HA ASP 12 5.322 -30.373 18.926 67 1HB ASP 12 2HB ASP 12 6.734 -28.073 20.297 68 2HB ASP 12 1HB ASP 12 5.074 -28.583 20.603 69 H ASN 13 H ASN 13 3.628 -28.592 18.789 70 HA ASN 13 HA ASN 13 4.244 -26.519 16.796 71 1HB ASN 13 2HB ASN 13 2.191 -28.710 16.435 72 2HB ASN 13 1HB ASN 13 2.185 -27.213 15.503 73 1HD2 ASN 13 1HD2 ASN 13 4.613 -29.716 16.461 74 2HD2 ASN 13 2HD2 ASN 13 5.343 -29.787 14.932 75 H GLY 14 H GLY 14 1.551 -28.042 18.589 76 1HA GLY 14 2HA GLY 14 -0.161 -27.129 19.824 77 2HA GLY 14 1HA GLY 14 0.980 -25.851 20.230 78 H LYS 15 H LYS 15 -0.972 -26.907 17.429 79 HA LYS 15 HA LYS 15 -1.241 -24.184 16.477 80 1HB LYS 15 2HB LYS 15 -2.514 -26.768 15.542 81 2HB LYS 15 1HB LYS 15 -2.625 -25.218 14.703 82 1HG LYS 15 2HG LYS 15 -0.107 -25.175 14.618 83 2HG LYS 15 1HG LYS 15 -0.111 -26.819 15.249 84 1HD LYS 15 2HD LYS 15 -1.574 -25.980 12.730 85 2HD LYS 15 1HD LYS 15 0.043 -26.681 12.732 86 1HE LYS 15 2HE LYS 15 -1.018 -28.617 14.096 87 2HE LYS 15 1HE LYS 15 -2.562 -27.969 13.544 88 1HZ LYS 15 1HZ LYS 15 -2.234 -28.765 11.511 89 2HZ LYS 15 2HZ LYS 15 -0.969 -29.689 12.169 90 3HZ LYS 15 3HZ LYS 15 -0.640 -28.192 11.437 91 H GLY 16 H GLY 16 -4.130 -25.651 15.846 92 1HA GLY 16 2HA GLY 16 -6.280 -25.411 16.635 93 2HA GLY 16 1HA GLY 16 -5.594 -25.209 18.243 94 H GLY 17 H GLY 17 -4.259 -22.985 18.313 95 1HA GLY 17 2HA GLY 17 -6.189 -20.922 18.229 96 2HA GLY 17 1HA GLY 17 -4.463 -20.700 18.498 97 H GLU 18 H GLU 18 -3.614 -21.869 16.009 98 HA GLU 18 HA GLU 18 -3.081 -21.176 13.883 99 1HB GLU 18 2HB GLU 18 -5.984 -20.312 13.845 100 2HB GLU 18 1HB GLU 18 -4.955 -20.568 12.435 101 1HG GLU 18 2HG GLU 18 -4.675 -22.935 13.059 102 2HG GLU 18 1HG GLU 18 -5.692 -22.685 14.477 103 H LYS 19 H LYS 19 -2.976 -19.237 12.416 104 HA LYS 19 HA LYS 19 -3.584 -16.639 13.417 105 1HB LYS 19 2HB LYS 19 -1.364 -15.859 13.962 106 2HB LYS 19 1HB LYS 19 -1.706 -17.278 14.948 107 1HG LYS 19 2HG LYS 19 -0.556 -18.632 13.060 108 2HG LYS 19 1HG LYS 19 0.056 -17.075 12.502 109 1HD LYS 19 2HD LYS 19 1.791 -17.715 13.918 110 2HD LYS 19 1HD LYS 19 0.790 -16.805 15.047 111 1HE LYS 19 2HE LYS 19 1.329 -18.859 16.150 112 2HE LYS 19 1HE LYS 19 -0.343 -19.028 15.622 113 1HZ LYS 19 1HZ LYS 19 0.280 -20.837 14.537 114 2HZ LYS 19 2HZ LYS 19 1.918 -20.565 14.895 115 3HZ LYS 19 3HZ LYS 19 1.223 -19.871 13.509 116 H ALA 20 H ALA 20 -1.722 -15.097 12.175 117 HA ALA 20 HA ALA 20 -2.354 -15.537 9.397 118 1HB ALA 20 1HB ALA 20 -2.360 -13.269 10.346 119 2HB ALA 20 2HB ALA 20 -1.189 -13.400 9.033 120 3HB ALA 20 3HB ALA 20 -0.641 -13.415 10.709 121 H ASP 21 H ASP 21 -0.963 -16.184 7.758 122 HA ASP 21 HA ASP 21 1.883 -16.416 8.235 123 1HB ASP 21 2HB ASP 21 1.966 -18.857 7.898 124 2HB ASP 21 1HB ASP 21 1.096 -18.428 9.371 125 H ASN 22 H ASN 22 -0.906 -17.160 6.163 126 HA ASN 22 HA ASN 22 0.866 -17.029 3.787 127 1HB ASN 22 2HB ASN 22 -0.383 -19.132 4.046 128 2HB ASN 22 1HB ASN 22 -1.892 -18.245 4.115 129 1HD2 ASN 22 1HD2 ASN 22 -2.821 -18.970 2.142 130 2HD2 ASN 22 2HD2 ASN 22 -2.115 -18.690 0.625 131 H ALA 23 H ALA 23 -2.312 -16.910 3.012 132 HA ALA 23 HA ALA 23 -2.260 -14.380 1.805 133 1HB ALA 23 1HB ALA 23 -3.820 -15.979 1.017 134 2HB ALA 23 2HB ALA 23 -4.800 -14.720 1.772 135 3HB ALA 23 3HB ALA 23 -4.486 -16.231 2.631 136 H ALA 24 H ALA 24 -3.101 -15.337 5.060 137 HA ALA 24 HA ALA 24 -4.588 -13.020 5.766 138 1HB ALA 24 1HB ALA 24 -4.893 -14.779 7.259 139 2HB ALA 24 2HB ALA 24 -3.748 -13.777 8.151 140 3HB ALA 24 3HB ALA 24 -3.182 -15.196 7.268 141 H GLN 25 H GLN 25 -1.221 -13.928 6.562 142 HA GLN 25 HA GLN 25 -0.427 -11.522 7.699 143 1HB GLN 25 2HB GLN 25 0.913 -13.508 7.852 144 2HB GLN 25 1HB GLN 25 1.107 -13.568 6.097 145 1HG GLN 25 2HG GLN 25 2.569 -11.734 6.064 146 2HG GLN 25 1HG GLN 25 2.011 -11.132 7.623 147 1HE2 GLN 25 1HE2 GLN 25 2.821 -14.577 7.149 148 2HE2 GLN 25 2HE2 GLN 25 4.215 -14.540 8.114 149 H VAL 26 H VAL 26 -0.939 -12.375 4.369 150 HA VAL 26 HA VAL 26 0.559 -10.239 3.194 151 HB VAL 26 HB VAL 26 -1.496 -12.215 2.256 152 1HG1 VAL 26 1HG1 VAL 26 -2.361 -10.297 1.137 153 2HG1 VAL 26 2HG1 VAL 26 -1.334 -11.111 -0.045 154 3HG1 VAL 26 3HG1 VAL 26 -0.744 -9.677 0.797 155 1HG2 VAL 26 1HG2 VAL 26 0.898 -12.790 2.258 156 2HG2 VAL 26 2HG2 VAL 26 1.236 -11.391 1.238 157 3HG2 VAL 26 3HG2 VAL 26 0.264 -12.723 0.614 158 H LYS 27 H LYS 27 -2.977 -10.720 3.396 159 HA LYS 27 HA LYS 27 -3.956 -8.339 2.617 160 1HB LYS 27 2HB LYS 27 -4.793 -9.997 4.990 161 2HB LYS 27 1HB LYS 27 -5.718 -8.604 4.435 162 1HG LYS 27 2HG LYS 27 -5.687 -9.745 2.110 163 2HG LYS 27 1HG LYS 27 -5.175 -11.192 2.976 164 1HD LYS 27 2HD LYS 27 -7.682 -9.599 3.586 165 2HD LYS 27 1HD LYS 27 -7.639 -11.109 2.676 166 1HE LYS 27 2HE LYS 27 -6.478 -12.131 4.716 167 2HE LYS 27 1HE LYS 27 -6.953 -10.673 5.587 168 1HZ LYS 27 1HZ LYS 27 -8.522 -12.653 5.667 169 2HZ LYS 27 2HZ LYS 27 -8.914 -12.268 4.060 170 3HZ LYS 27 3HZ LYS 27 -9.200 -11.142 5.300 171 H ASP 28 H ASP 28 -2.720 -8.972 5.893 172 HA ASP 28 HA ASP 28 -3.146 -6.401 6.942 173 1HB ASP 28 2HB ASP 28 -2.573 -8.353 8.332 174 2HB ASP 28 1HB ASP 28 -0.958 -8.379 7.627 175 H ALA 29 H ALA 29 -0.432 -7.779 5.142 176 HA ALA 29 HA ALA 29 1.226 -5.453 5.376 177 1HB ALA 29 1HB ALA 29 2.631 -6.567 3.693 178 2HB ALA 29 2HB ALA 29 1.362 -7.764 3.427 179 3HB ALA 29 3HB ALA 29 2.183 -7.679 4.987 180 H LEU 30 H LEU 30 -1.468 -6.254 3.414 181 HA LEU 30 HA LEU 30 -0.760 -4.740 1.116 182 1HB LEU 30 2HB LEU 30 -2.879 -6.447 1.921 183 2HB LEU 30 1HB LEU 30 -3.649 -4.918 1.570 184 HG LEU 30 HG LEU 30 -1.945 -5.220 -0.614 185 1HD1 LEU 30 1HD1 LEU 30 -1.319 -7.492 -0.049 186 2HD1 LEU 30 2HD1 LEU 30 -2.407 -7.540 -1.437 187 3HD1 LEU 30 3HD1 LEU 30 -3.010 -7.946 0.165 188 1HD2 LEU 30 1HD2 LEU 30 -3.955 -5.690 -1.892 189 2HD2 LEU 30 2HD2 LEU 30 -4.351 -4.541 -0.617 190 3HD2 LEU 30 3HD2 LEU 30 -4.792 -6.239 -0.439 191 H THR 31 H THR 31 -3.104 -4.114 3.720 192 HA THR 31 HA THR 31 -3.534 -1.413 3.035 193 HB THR 31 HB THR 31 -5.107 -2.629 4.416 194 HG1 THR 31 1HG THR 31 -4.846 -0.348 4.716 195 1HG2 THR 31 1HG2 THR 31 -3.326 -4.013 5.548 196 2HG2 THR 31 2HG2 THR 31 -4.557 -3.378 6.644 197 3HG2 THR 31 3HG2 THR 31 -2.971 -2.607 6.556 198 H LYS 32 H LYS 32 -1.061 -3.026 4.843 199 HA LYS 32 HA LYS 32 -0.076 -1.031 6.488 200 1HB LYS 32 2HB LYS 32 0.822 -3.359 6.350 201 2HB LYS 32 1HB LYS 32 1.589 -2.937 4.821 202 1HG LYS 32 2HG LYS 32 3.259 -2.707 6.531 203 2HG LYS 32 1HG LYS 32 2.808 -1.084 6.026 204 1HD LYS 32 2HD LYS 32 1.103 -2.021 8.240 205 2HD LYS 32 1HD LYS 32 2.805 -2.077 8.676 206 1HE LYS 32 2HE LYS 32 3.099 0.256 8.215 207 2HE LYS 32 1HE LYS 32 1.521 0.371 7.437 208 1HZ LYS 32 1HZ LYS 32 2.024 -0.221 10.304 209 2HZ LYS 32 2HZ LYS 32 0.493 -0.186 9.569 210 3HZ LYS 32 3HZ LYS 32 1.421 1.234 9.674 211 H MET 33 H MET 33 0.990 -1.727 3.157 212 HA MET 33 HA MET 33 2.502 0.634 2.827 213 1HB MET 33 2HB MET 33 1.129 -1.166 0.819 214 2HB MET 33 1HB MET 33 2.186 0.171 0.362 215 1HG MET 33 2HG MET 33 4.056 -0.824 1.531 216 2HG MET 33 1HG MET 33 3.019 -2.079 2.211 217 1HE MET 33 1HE MET 33 3.705 -4.852 -0.048 218 2HE MET 33 2HE MET 33 2.576 -4.276 1.176 219 3HE MET 33 3HE MET 33 4.309 -4.092 1.431 220 H ARG 34 H ARG 34 -0.729 -0.158 1.513 221 HA ARG 34 HA ARG 34 -1.583 2.134 0.411 222 1HB ARG 34 2HB ARG 34 -2.915 -0.013 0.980 223 2HB ARG 34 1HB ARG 34 -3.321 0.807 2.481 224 1HG ARG 34 2HG ARG 34 -4.332 2.652 1.278 225 2HG ARG 34 1HG ARG 34 -3.810 1.983 -0.272 226 1HD ARG 34 2HD ARG 34 -5.378 0.250 -0.196 227 2HD ARG 34 1HD ARG 34 -5.502 0.286 1.564 228 HE ARG 34 HE ARG 34 -7.214 1.816 1.314 229 1HH1 ARG 34 1HH2 ARG 34 -5.178 1.829 -1.486 230 2HH1 ARG 34 2HH2 ARG 34 -6.151 2.966 -2.357 231 1HH2 ARG 34 1HH1 ARG 34 -8.495 3.306 0.176 232 2HH2 ARG 34 2HH1 ARG 34 -8.028 3.803 -1.417 233 H ALA 35 H ALA 35 -2.218 1.559 3.881 234 HA ALA 35 HA ALA 35 -2.994 4.142 4.539 235 1HB ALA 35 1HB ALA 35 -2.489 3.544 6.855 236 2HB ALA 35 2HB ALA 35 -1.513 2.181 6.306 237 3HB ALA 35 3HB ALA 35 -3.255 2.188 6.027 238 H ALA 36 H ALA 36 0.201 2.860 4.029 239 HA ALA 36 HA ALA 36 1.600 5.002 5.334 240 1HB ALA 36 1HB ALA 36 2.452 2.604 4.729 241 2HB ALA 36 2HB ALA 36 3.567 3.964 4.614 242 3HB ALA 36 3HB ALA 36 2.818 3.315 3.157 243 H ALA 37 H ALA 37 0.676 4.229 2.008 244 HA ALA 37 HA ALA 37 1.946 6.446 0.785 245 1HB ALA 37 1HB ALA 37 1.145 4.498 -0.497 246 2HB ALA 37 2HB ALA 37 0.443 5.995 -1.110 247 3HB ALA 37 3HB ALA 37 -0.520 4.920 -0.097 248 H LEU 38 H LEU 38 -1.375 5.916 1.965 249 HA LEU 38 HA LEU 38 -2.304 8.539 1.296 250 1HB LEU 38 2HB LEU 38 -3.304 6.313 3.052 251 2HB LEU 38 1HB LEU 38 -4.002 7.914 3.272 252 HG LEU 38 HG LEU 38 -4.544 7.993 0.847 253 1HD1 LEU 38 1HD1 LEU 38 -2.774 6.458 0.059 254 2HD1 LEU 38 2HD1 LEU 38 -4.366 5.925 -0.479 255 3HD1 LEU 38 3HD1 LEU 38 -3.578 5.116 0.874 256 1HD2 LEU 38 1HD2 LEU 38 -6.195 7.167 2.499 257 2HD2 LEU 38 2HD2 LEU 38 -5.579 5.528 2.284 258 3HD2 LEU 38 3HD2 LEU 38 -6.378 6.353 0.945 259 H ASP 39 H ASP 39 -1.206 7.122 4.364 260 HA ASP 39 HA ASP 39 -1.409 9.335 6.006 261 1HB ASP 39 2HB ASP 39 -0.829 7.164 6.888 262 2HB ASP 39 1HB ASP 39 0.676 7.144 5.973 263 H ALA 40 H ALA 40 1.522 8.326 4.223 264 HA ALA 40 HA ALA 40 3.070 10.569 4.847 265 1HB ALA 40 1HB ALA 40 3.278 9.085 2.236 266 2HB ALA 40 2HB ALA 40 3.786 8.362 3.762 267 3HB ALA 40 3HB ALA 40 4.566 9.832 3.181 268 H GLN 41 H GLN 41 0.854 10.040 2.134 269 HA GLN 41 HA GLN 41 1.454 12.172 0.530 270 1HB GLN 41 2HB GLN 41 -0.202 10.963 -0.491 271 2HB GLN 41 1HB GLN 41 -0.950 10.535 1.040 272 1HG GLN 41 2HG GLN 41 -1.319 13.410 0.302 273 2HG GLN 41 1HG GLN 41 -2.028 12.291 -0.799 274 1HE2 GLN 41 1HE2 GLN 41 -1.732 11.958 2.750 275 2HE2 GLN 41 2HE2 GLN 41 -3.401 11.844 3.011 276 H LYS 42 H LYS 42 -0.667 12.300 3.430 277 HA LYS 42 HA LYS 42 -0.037 15.159 3.591 278 1HB LYS 42 2HB LYS 42 -2.273 14.438 2.234 279 2HB LYS 42 1HB LYS 42 -2.945 14.540 3.853 280 1HG LYS 42 2HG LYS 42 -3.203 16.748 3.164 281 2HG LYS 42 1HG LYS 42 -1.610 16.833 3.908 282 1HD LYS 42 2HD LYS 42 -1.185 17.867 1.856 283 2HD LYS 42 1HD LYS 42 -0.757 16.199 1.482 284 1HE LYS 42 2HE LYS 42 -2.197 17.196 -0.273 285 2HE LYS 42 1HE LYS 42 -2.977 15.820 0.505 286 1HZ LYS 42 1HZ LYS 42 -4.312 17.969 0.180 287 2HZ LYS 42 2HZ LYS 42 -3.418 18.563 1.498 288 3HZ LYS 42 3HZ LYS 42 -4.401 17.190 1.684 289 H ALA 43 H ALA 43 0.629 12.911 5.266 290 HA ALA 43 HA ALA 43 -0.585 13.909 7.786 291 1HB ALA 43 1HB ALA 43 -1.173 11.830 8.577 292 2HB ALA 43 2HB ALA 43 0.094 11.002 7.675 293 3HB ALA 43 3HB ALA 43 -1.376 11.521 6.854 294 H THR 44 H THR 44 2.033 11.817 6.517 295 HA THR 44 HA THR 44 3.814 12.861 8.636 296 HB THR 44 HB THR 44 4.054 10.365 6.950 297 HG1 THR 44 1HG THR 44 2.532 10.870 9.000 298 1HG2 THR 44 1HG2 THR 44 6.244 11.002 7.559 299 2HG2 THR 44 2HG2 THR 44 5.763 9.853 8.808 300 3HG2 THR 44 3HG2 THR 44 5.726 11.584 9.142 301 HA PRO 45 HA PRO 45 5.014 15.253 4.742 302 1HB PRO 45 2HB PRO 45 6.661 16.256 7.054 303 2HB PRO 45 1HB PRO 45 6.034 17.156 5.656 304 1HG PRO 45 2HG PRO 45 4.769 17.241 7.987 305 2HG PRO 45 1HG PRO 45 3.865 17.165 6.464 306 1HD PRO 45 2HD PRO 45 4.192 15.072 8.540 307 2HD PRO 45 1HD PRO 45 2.925 15.235 7.306 308 HA PRO 46 HA PRO 46 8.617 12.388 4.727 309 1HB PRO 46 2HB PRO 46 8.271 11.299 2.310 310 2HB PRO 46 1HB PRO 46 7.178 10.889 3.646 311 1HG PRO 46 2HG PRO 46 6.742 12.774 1.370 312 2HG PRO 46 1HG PRO 46 5.624 11.613 2.089 313 1HD PRO 46 2HD PRO 46 5.696 14.346 2.705 314 2HD PRO 46 1HD PRO 46 4.945 13.098 3.723 315 H LYS 47 H LYS 47 8.521 12.795 1.345 316 HA LYS 47 HA LYS 47 10.999 14.302 1.348 317 1HB LYS 47 2HB LYS 47 9.377 12.770 -0.641 318 2HB LYS 47 1HB LYS 47 10.421 14.036 -1.280 319 1HG LYS 47 2HG LYS 47 11.584 11.867 -1.228 320 2HG LYS 47 1HG LYS 47 12.360 13.023 -0.149 321 1HD LYS 47 2HD LYS 47 11.177 12.023 1.775 322 2HD LYS 47 1HD LYS 47 10.392 10.873 0.691 323 1HE LYS 47 2HE LYS 47 12.491 9.864 0.115 324 2HE LYS 47 1HE LYS 47 13.397 11.144 0.916 325 1HZ LYS 47 1HZ LYS 47 11.819 8.963 2.113 326 2HZ LYS 47 2HZ LYS 47 12.088 10.399 2.982 327 3HZ LYS 47 3HZ LYS 47 13.404 9.455 2.467 328 H LEU 48 H LEU 48 7.677 15.052 1.240 329 HA LEU 48 HA LEU 48 7.924 17.394 -0.442 330 1HB LEU 48 2HB LEU 48 5.681 16.973 1.523 331 2HB LEU 48 1HB LEU 48 5.643 17.758 -0.058 332 HG LEU 48 HG LEU 48 6.043 14.792 0.444 333 1HD1 LEU 48 1HD1 LEU 48 3.727 16.328 -0.767 334 2HD1 LEU 48 2HD1 LEU 48 3.733 15.582 0.831 335 3HD1 LEU 48 3HD1 LEU 48 3.831 14.575 -0.613 336 1HD2 LEU 48 1HD2 LEU 48 5.684 14.764 -2.110 337 2HD2 LEU 48 2HD2 LEU 48 7.256 15.311 -1.530 338 3HD2 LEU 48 3HD2 LEU 48 6.052 16.488 -2.055 339 H GLU 49 H GLU 49 9.636 17.041 2.044 340 HA GLU 49 HA GLU 49 8.953 18.816 4.062 341 1HB GLU 49 2HB GLU 49 11.312 19.021 4.524 342 2HB GLU 49 1HB GLU 49 11.013 17.367 3.990 343 1HG GLU 49 2HG GLU 49 11.625 18.154 1.640 344 2HG GLU 49 1HG GLU 49 12.205 19.640 2.390 345 H ASP 50 H ASP 50 9.783 19.401 0.769 346 HA ASP 50 HA ASP 50 9.112 22.202 1.006 347 1HB ASP 50 2HB ASP 50 11.520 22.159 1.639 348 2HB ASP 50 1HB ASP 50 11.887 21.442 0.072 349 H LYS 51 H LYS 51 7.795 20.213 -0.371 350 HA LYS 51 HA LYS 51 8.187 21.068 -3.162 351 1HB LYS 51 2HB LYS 51 7.619 18.159 -2.611 352 2HB LYS 51 1HB LYS 51 8.240 18.913 -4.072 353 1HG LYS 51 2HG LYS 51 10.390 19.289 -3.051 354 2HG LYS 51 1HG LYS 51 9.792 18.790 -1.473 355 1HD LYS 51 2HD LYS 51 11.060 16.969 -2.523 356 2HD LYS 51 1HD LYS 51 9.365 16.528 -2.338 357 1HE LYS 51 2HE LYS 51 8.925 16.753 -4.634 358 2HE LYS 51 1HE LYS 51 10.338 17.770 -4.906 359 1HZ LYS 51 1HZ LYS 51 10.132 14.882 -4.759 360 2HZ LYS 51 2HZ LYS 51 11.483 15.557 -3.978 361 3HZ LYS 51 3HZ LYS 51 11.218 15.852 -5.630 362 H SER 52 H SER 52 6.270 22.047 -1.465 363 HA SER 52 HA SER 52 3.869 20.738 -1.227 364 1HB SER 52 2HB SER 52 4.752 23.317 -0.812 365 2HB SER 52 1HB SER 52 3.553 23.548 -2.078 366 HG SER 52 HG SER 52 3.050 23.316 0.414 367 HA PRO 53 HA PRO 53 1.893 20.278 -5.138 368 1HB PRO 53 2HB PRO 53 -0.123 22.436 -4.725 369 2HB PRO 53 1HB PRO 53 -0.372 20.698 -4.988 370 1HG PRO 53 2HG PRO 53 -0.745 21.817 -2.588 371 2HG PRO 53 1HG PRO 53 -0.073 20.184 -2.758 372 1HD PRO 53 2HD PRO 53 1.355 22.755 -2.137 373 2HD PRO 53 1HD PRO 53 1.628 21.122 -1.486 374 H ASP 54 H ASP 54 4.057 22.186 -5.103 375 HA ASP 54 HA ASP 54 3.270 24.205 -7.122 376 1HB ASP 54 2HB ASP 54 5.602 25.105 -6.586 377 2HB ASP 54 1HB ASP 54 4.385 25.239 -5.319 378 H SER 55 H SER 55 6.176 22.295 -6.403 379 HA SER 55 HA SER 55 7.101 22.195 -9.092 380 1HB SER 55 2HB SER 55 8.051 20.036 -7.347 381 2HB SER 55 1HB SER 55 8.955 21.402 -8.006 382 HG SER 55 HG SER 55 7.209 21.468 -5.766 383 HA PRO 56 HA PRO 56 4.867 18.673 -10.655 384 1HB PRO 56 2HB PRO 56 6.690 16.657 -11.225 385 2HB PRO 56 1HB PRO 56 6.412 18.069 -12.259 386 1HG PRO 56 2HG PRO 56 8.588 17.571 -10.284 387 2HG PRO 56 1HG PRO 56 8.663 18.358 -11.870 388 1HD PRO 56 2HD PRO 56 8.661 19.771 -9.563 389 2HD PRO 56 1HD PRO 56 7.925 20.407 -11.042 390 H GLU 57 H GLU 57 5.091 18.906 -7.840 391 HA GLU 57 HA GLU 57 5.640 16.453 -6.536 392 1HB GLU 57 2HB GLU 57 5.595 18.410 -5.172 393 2HB GLU 57 1HB GLU 57 4.030 18.906 -5.801 394 1HG GLU 57 2HG GLU 57 4.003 17.871 -3.462 395 2HG GLU 57 1HG GLU 57 2.890 17.163 -4.625 396 H MET 58 H MET 58 2.506 18.038 -7.103 397 HA MET 58 HA MET 58 0.763 16.017 -6.519 398 1HB MET 58 2HB MET 58 0.501 17.770 -8.970 399 2HB MET 58 1HB MET 58 -0.794 17.015 -8.043 400 1HG MET 58 2HG MET 58 -0.224 18.377 -6.081 401 2HG MET 58 1HG MET 58 1.120 19.115 -6.956 402 1HE MET 58 1HE MET 58 -2.637 18.372 -8.564 403 2HE MET 58 2HE MET 58 -3.359 19.590 -7.515 404 3HE MET 58 3HE MET 58 -2.449 18.258 -6.809 405 H LYS 59 H LYS 59 2.593 16.437 -9.527 406 HA LYS 59 HA LYS 59 1.502 14.285 -10.968 407 1HB LYS 59 2HB LYS 59 4.303 15.437 -11.019 408 2HB LYS 59 1HB LYS 59 3.686 14.291 -12.202 409 1HG LYS 59 2HG LYS 59 2.112 16.808 -11.672 410 2HG LYS 59 1HG LYS 59 3.561 16.908 -12.668 411 1HD LYS 59 2HD LYS 59 2.657 15.151 -14.155 412 2HD LYS 59 1HD LYS 59 1.207 15.053 -13.156 413 1HE LYS 59 2HE LYS 59 0.590 16.498 -14.929 414 2HE LYS 59 1HE LYS 59 0.960 17.589 -13.594 415 1HZ LYS 59 1HZ LYS 59 3.200 17.848 -14.500 416 2HZ LYS 59 2HZ LYS 59 2.014 18.343 -15.613 417 3HZ LYS 59 3HZ LYS 59 2.795 16.846 -15.808 418 H ASP 60 H ASP 60 4.113 14.453 -8.607 419 HA ASP 60 HA ASP 60 4.780 11.658 -8.801 420 1HB ASP 60 2HB ASP 60 6.429 13.374 -8.163 421 2HB ASP 60 1HB ASP 60 5.520 13.690 -6.685 422 H PHE 61 H PHE 61 2.996 13.684 -6.450 423 HA PHE 61 HA PHE 61 2.399 11.529 -4.692 424 1HB PHE 61 2HB PHE 61 2.004 13.548 -3.592 425 2HB PHE 61 1HB PHE 61 1.367 14.331 -5.036 426 HD1 PHE 61 1HD PHE 61 -0.756 15.132 -4.310 427 HD2 PHE 61 2HD PHE 61 0.331 11.057 -3.554 428 HE1 PHE 61 1HE PHE 61 -3.084 14.647 -3.645 429 HE2 PHE 61 2HE PHE 61 -2.005 10.563 -2.885 430 HZ PHE 61 HZ PHE 61 -3.712 12.363 -2.928 431 H ARG 62 H ARG 62 0.136 13.328 -6.755 432 HA ARG 62 HA ARG 62 -2.008 11.714 -6.805 433 1HB ARG 62 2HB ARG 62 -0.840 12.890 -9.339 434 2HB ARG 62 1HB ARG 62 -2.529 12.489 -9.045 435 1HG ARG 62 2HG ARG 62 -1.149 14.422 -7.186 436 2HG ARG 62 1HG ARG 62 -1.697 14.984 -8.760 437 1HD ARG 62 2HD ARG 62 -3.523 13.476 -6.896 438 2HD ARG 62 1HD ARG 62 -3.298 15.218 -6.769 439 HE ARG 62 HE ARG 62 -3.883 14.794 -9.421 440 1HH1 ARG 62 1HH2 ARG 62 -5.343 14.010 -6.382 441 2HH1 ARG 62 2HH2 ARG 62 -6.962 14.048 -6.994 442 1HH2 ARG 62 1HH1 ARG 62 -6.003 14.845 -10.229 443 2HH2 ARG 62 2HH1 ARG 62 -7.336 14.520 -9.172 444 H HIS 63 H HIS 63 0.892 11.164 -8.827 445 HA HIS 63 HA HIS 63 -0.198 8.654 -9.776 446 1HB HIS 63 2HB HIS 63 1.429 10.183 -11.036 447 2HB HIS 63 1HB HIS 63 2.688 9.515 -10.001 448 HD1 HIS 63 1HD HIS 63 3.873 7.718 -11.253 449 HD2 HIS 63 2HD HIS 63 -0.222 7.665 -12.034 450 HE1 HIS 63 1HE HIS 63 3.461 5.746 -12.788 451 HE2 HIS 63 2HE HIS 63 0.969 5.700 -13.273 452 H GLY 64 H GLY 64 2.774 9.441 -7.993 453 1HA GLY 64 2HA GLY 64 3.665 7.058 -7.171 454 2HA GLY 64 1HA GLY 64 3.663 8.437 -6.090 455 H PHE 65 H PHE 65 0.752 8.622 -5.814 456 HA PHE 65 HA PHE 65 0.467 6.517 -3.833 457 1HB PHE 65 2HB PHE 65 -0.813 8.084 -2.808 458 2HB PHE 65 1HB PHE 65 -0.717 9.124 -4.212 459 HD1 PHE 65 1HD PHE 65 -2.365 8.535 -6.184 460 HD2 PHE 65 2HD PHE 65 -2.883 7.191 -2.156 461 HE1 PHE 65 1HE PHE 65 -4.735 8.148 -6.650 462 HE2 PHE 65 2HE PHE 65 -5.290 6.798 -2.617 463 HZ PHE 65 HZ PHE 65 -6.200 7.283 -4.873 464 H ASP 66 H ASP 66 -0.799 7.301 -7.005 465 HA ASP 66 HA ASP 66 -2.777 5.249 -7.129 466 1HB ASP 66 2HB ASP 66 -2.781 7.138 -8.696 467 2HB ASP 66 1HB ASP 66 -1.206 6.652 -9.328 468 H ILE 67 H ILE 67 0.655 5.463 -7.806 469 HA ILE 67 HA ILE 67 1.034 3.004 -9.118 470 HB ILE 67 HB ILE 67 2.892 4.600 -7.324 471 1HG1 ILE 67 2HG1 ILE 67 2.667 4.433 -10.347 472 2HG1 ILE 67 1HG1 ILE 67 2.001 5.732 -9.364 473 1HG2 ILE 67 1HG2 ILE 67 4.672 3.312 -8.593 474 2HG2 ILE 67 2HG2 ILE 67 3.391 2.263 -9.200 475 3HG2 ILE 67 3HG2 ILE 67 3.731 2.332 -7.470 476 1HD1 ILE 67 1HD1 ILE 67 4.716 5.489 -8.563 477 2HD1 ILE 67 2HD1 ILE 67 3.993 6.781 -9.518 478 3HD1 ILE 67 3HD1 ILE 67 4.710 5.389 -10.325 479 H LEU 68 H LEU 68 1.810 3.830 -5.754 480 HA LEU 68 HA LEU 68 2.177 1.222 -4.830 481 1HB LEU 68 2HB LEU 68 1.578 3.858 -3.585 482 2HB LEU 68 1HB LEU 68 1.250 2.439 -2.588 483 HG LEU 68 HG LEU 68 3.621 1.643 -3.154 484 1HD1 LEU 68 1HD1 LEU 68 5.180 3.508 -3.831 485 2HD1 LEU 68 2HD1 LEU 68 3.758 4.471 -4.230 486 3HD1 LEU 68 3HD1 LEU 68 4.085 2.973 -5.105 487 1HD2 LEU 68 1HD2 LEU 68 4.710 3.311 -1.601 488 2HD2 LEU 68 2HD2 LEU 68 3.247 2.556 -0.978 489 3HD2 LEU 68 3HD2 LEU 68 3.193 4.205 -1.602 490 H VAL 69 H VAL 69 -0.774 3.228 -4.744 491 HA VAL 69 HA VAL 69 -2.449 1.261 -3.629 492 HB VAL 69 HB VAL 69 -3.027 3.685 -5.339 493 1HG1 VAL 69 1HG1 VAL 69 -4.843 1.820 -3.833 494 2HG1 VAL 69 2HG1 VAL 69 -4.909 2.268 -5.541 495 3HG1 VAL 69 3HG1 VAL 69 -5.314 3.454 -4.305 496 1HG2 VAL 69 1HG2 VAL 69 -3.407 4.809 -3.271 497 2HG2 VAL 69 2HG2 VAL 69 -1.918 3.901 -3.018 498 3HG2 VAL 69 3HG2 VAL 69 -3.440 3.297 -2.366 499 H GLY 70 H GLY 70 -1.200 1.749 -6.814 500 1HA GLY 70 2HA GLY 70 -3.238 0.185 -8.164 501 2HA GLY 70 1HA GLY 70 -1.753 0.812 -8.875 502 H GLN 71 H GLN 71 0.035 -0.286 -6.924 503 HA GLN 71 HA GLN 71 0.255 -2.976 -7.971 504 1HB GLN 71 2HB GLN 71 1.951 -1.506 -5.929 505 2HB GLN 71 1HB GLN 71 2.360 -3.036 -6.706 506 1HG GLN 71 2HG GLN 71 2.521 -2.017 -8.852 507 2HG GLN 71 1HG GLN 71 1.759 -0.538 -8.282 508 1HE2 GLN 71 1HE2 GLN 71 3.304 -0.314 -5.804 509 2HE2 GLN 71 2HE2 GLN 71 4.895 0.055 -6.254 510 H ILE 72 H ILE 72 -0.208 -1.444 -4.818 511 HA ILE 72 HA ILE 72 -0.345 -3.541 -3.073 512 HB ILE 72 HB ILE 72 -1.820 -0.956 -3.358 513 1HG1 ILE 72 2HG1 ILE 72 -0.493 -1.991 -0.854 514 2HG1 ILE 72 1HG1 ILE 72 0.497 -1.459 -2.206 515 1HG2 ILE 72 1HG2 ILE 72 -2.663 -3.125 -1.420 516 2HG2 ILE 72 2HG2 ILE 72 -3.675 -2.263 -2.581 517 3HG2 ILE 72 3HG2 ILE 72 -3.032 -1.417 -1.172 518 1HD1 ILE 72 1HD1 ILE 72 -1.670 0.221 -0.933 519 2HD1 ILE 72 2HD1 ILE 72 -0.545 0.735 -2.178 520 3HD1 ILE 72 3HD1 ILE 72 0.045 0.365 -0.565 521 H ASP 73 H ASP 73 -3.034 -2.418 -5.141 522 HA ASP 73 HA ASP 73 -4.828 -4.507 -4.477 523 1HB ASP 73 2HB ASP 73 -5.484 -2.385 -5.615 524 2HB ASP 73 1HB ASP 73 -4.664 -2.946 -7.070 525 H ASP 74 H ASP 74 -2.663 -4.083 -7.282 526 HA ASP 74 HA ASP 74 -3.120 -6.452 -8.612 527 1HB ASP 74 2HB ASP 74 -1.570 -4.514 -9.260 528 2HB ASP 74 1HB ASP 74 -0.355 -5.304 -8.255 529 H ALA 75 H ALA 75 -1.323 -5.843 -5.676 530 HA ALA 75 HA ALA 75 0.103 -8.263 -5.531 531 1HB ALA 75 1HB ALA 75 0.322 -6.115 -4.083 532 2HB ALA 75 2HB ALA 75 0.613 -7.679 -3.323 533 3HB ALA 75 3HB ALA 75 -0.924 -6.855 -3.082 534 H LEU 76 H LEU 76 -2.887 -7.372 -3.734 535 HA LEU 76 HA LEU 76 -3.458 -9.961 -2.827 536 1HB LEU 76 2HB LEU 76 -4.670 -7.891 -2.085 537 2HB LEU 76 1HB LEU 76 -5.517 -7.891 -3.629 538 HG LEU 76 HG LEU 76 -6.125 -10.405 -2.967 539 1HD1 LEU 76 1HD1 LEU 76 -4.732 -10.520 -0.962 540 2HD1 LEU 76 2HD1 LEU 76 -6.429 -10.602 -0.497 541 3HD1 LEU 76 3HD1 LEU 76 -5.530 -9.101 -0.287 542 1HD2 LEU 76 1HD2 LEU 76 -8.151 -9.544 -1.787 543 2HD2 LEU 76 2HD2 LEU 76 -7.788 -8.632 -3.252 544 3HD2 LEU 76 3HD2 LEU 76 -7.385 -7.959 -1.673 545 H LYS 77 H LYS 77 -4.759 -8.271 -5.669 546 HA LYS 77 HA LYS 77 -6.269 -10.213 -6.876 547 1HB LYS 77 2HB LYS 77 -5.808 -7.846 -7.643 548 2HB LYS 77 1HB LYS 77 -4.288 -8.421 -8.306 549 1HG LYS 77 2HG LYS 77 -6.918 -9.705 -9.058 550 2HG LYS 77 1HG LYS 77 -6.349 -8.262 -9.878 551 1HD LYS 77 2HD LYS 77 -5.069 -9.559 -11.238 552 2HD LYS 77 1HD LYS 77 -4.104 -10.032 -9.847 553 1HE LYS 77 2HE LYS 77 -4.826 -12.106 -10.634 554 2HE LYS 77 1HE LYS 77 -6.088 -11.757 -9.454 555 1HZ LYS 77 1HZ LYS 77 -6.190 -11.508 -12.392 556 2HZ LYS 77 2HZ LYS 77 -7.277 -10.651 -11.405 557 3HZ LYS 77 3HZ LYS 77 -7.241 -12.351 -11.361 558 H LEU 78 H LEU 78 -2.767 -9.747 -7.370 559 HA LEU 78 HA LEU 78 -2.393 -12.082 -8.882 560 1HB LEU 78 2HB LEU 78 -0.710 -10.325 -8.769 561 2HB LEU 78 1HB LEU 78 -0.450 -10.663 -7.061 562 HG LEU 78 HG LEU 78 0.482 -12.825 -7.535 563 1HD1 LEU 78 1HD1 LEU 78 0.705 -13.520 -10.024 564 2HD1 LEU 78 2HD1 LEU 78 -0.588 -12.362 -10.328 565 3HD1 LEU 78 3HD1 LEU 78 -0.868 -13.741 -9.269 566 1HD2 LEU 78 1HD2 LEU 78 1.843 -10.731 -8.003 567 2HD2 LEU 78 2HD2 LEU 78 1.508 -11.006 -9.709 568 3HD2 LEU 78 3HD2 LEU 78 2.418 -12.203 -8.785 569 H ALA 79 H ALA 79 -2.599 -11.505 -5.442 570 HA ALA 79 HA ALA 79 -1.803 -14.209 -4.697 571 1HB ALA 79 1HB ALA 79 -3.192 -12.286 -2.842 572 2HB ALA 79 2HB ALA 79 -1.525 -11.981 -3.324 573 3HB ALA 79 3HB ALA 79 -1.938 -13.475 -2.484 574 H ASN 80 H ASN 80 -4.566 -12.614 -5.795 575 HA ASN 80 HA ASN 80 -6.520 -14.289 -4.473 576 1HB ASN 80 2HB ASN 80 -6.846 -11.856 -5.305 577 2HB ASN 80 1HB ASN 80 -7.015 -12.569 -6.907 578 1HD2 ASN 80 1HD2 ASN 80 -9.035 -11.274 -4.916 579 2HD2 ASN 80 2HD2 ASN 80 -10.303 -12.401 -4.865 580 H GLU 81 H GLU 81 -4.834 -13.982 -7.504 581 HA GLU 81 HA GLU 81 -5.762 -16.650 -8.376 582 1HB GLU 81 2HB GLU 81 -6.771 -14.633 -9.638 583 2HB GLU 81 1HB GLU 81 -5.145 -14.401 -10.285 584 1HG GLU 81 2HG GLU 81 -5.178 -16.773 -11.083 585 2HG GLU 81 1HG GLU 81 -6.855 -16.892 -10.551 586 H GLY 82 H GLY 82 -3.509 -16.499 -6.918 587 1HA GLY 82 2HA GLY 82 -1.486 -17.617 -8.394 588 2HA GLY 82 1HA GLY 82 -1.172 -15.883 -8.438 589 H LYS 83 H LYS 83 -1.456 -18.681 -6.423 590 HA LYS 83 HA LYS 83 -1.410 -18.240 -3.904 591 1HB LYS 83 2HB LYS 83 -0.221 -20.193 -5.358 592 2HB LYS 83 1HB LYS 83 1.216 -19.458 -4.668 593 1HG LYS 83 2HG LYS 83 -1.076 -20.120 -2.813 594 2HG LYS 83 1HG LYS 83 -0.069 -21.430 -3.408 595 1HD LYS 83 2HD LYS 83 1.910 -20.471 -2.472 596 2HD LYS 83 1HD LYS 83 1.087 -18.956 -2.114 597 1HE LYS 83 2HE LYS 83 1.328 -20.353 -0.084 598 2HE LYS 83 1HE LYS 83 -0.367 -20.103 -0.500 599 1HZ LYS 83 1HZ LYS 83 -0.100 -22.388 -0.034 600 2HZ LYS 83 2HZ LYS 83 1.287 -22.509 -1.010 601 3HZ LYS 83 3HZ LYS 83 -0.237 -22.265 -1.720 602 H VAL 84 H VAL 84 -0.464 -17.346 -2.234 603 HA VAL 84 HA VAL 84 0.572 -14.862 -2.270 604 HB VAL 84 HB VAL 84 1.251 -17.039 -0.282 605 1HG1 VAL 84 1HG1 VAL 84 1.856 -14.095 -0.367 606 2HG1 VAL 84 2HG1 VAL 84 2.818 -15.415 0.292 607 3HG1 VAL 84 3HG1 VAL 84 1.426 -14.808 1.191 608 1HG2 VAL 84 1HG2 VAL 84 -1.100 -16.759 -0.228 609 2HG2 VAL 84 2HG2 VAL 84 -0.993 -15.027 -0.544 610 3HG2 VAL 84 3HG2 VAL 84 -0.532 -15.670 1.031 611 H LYS 85 H LYS 85 2.446 -17.848 -2.491 612 HA LYS 85 HA LYS 85 5.028 -16.936 -2.259 613 1HB LYS 85 2HB LYS 85 3.844 -19.008 -4.109 614 2HB LYS 85 1HB LYS 85 5.580 -18.706 -4.033 615 1HG LYS 85 2HG LYS 85 5.592 -19.202 -1.634 616 2HG LYS 85 1HG LYS 85 3.844 -19.432 -1.654 617 1HD LYS 85 2HD LYS 85 4.054 -21.343 -3.136 618 2HD LYS 85 1HD LYS 85 5.787 -21.064 -3.313 619 1HE LYS 85 2HE LYS 85 6.024 -21.400 -0.830 620 2HE LYS 85 1HE LYS 85 4.324 -21.864 -0.782 621 1HZ LYS 85 1HZ LYS 85 5.558 -23.292 -2.841 622 2HZ LYS 85 2HZ LYS 85 4.901 -23.893 -1.395 623 3HZ LYS 85 3HZ LYS 85 6.537 -23.441 -1.465 624 H GLU 86 H GLU 86 2.808 -16.514 -4.927 625 HA GLU 86 HA GLU 86 4.804 -15.306 -6.666 626 1HB GLU 86 2HB GLU 86 1.791 -15.362 -6.985 627 2HB GLU 86 1HB GLU 86 2.984 -15.014 -8.235 628 1HG GLU 86 2HG GLU 86 3.931 -17.334 -7.822 629 2HG GLU 86 1HG GLU 86 2.512 -17.644 -6.823 630 H ALA 87 H ALA 87 2.435 -14.381 -4.339 631 HA ALA 87 HA ALA 87 2.339 -11.598 -5.091 632 1HB ALA 87 1HB ALA 87 1.487 -12.641 -2.405 633 2HB ALA 87 2HB ALA 87 0.524 -12.975 -3.846 634 3HB ALA 87 3HB ALA 87 0.814 -11.310 -3.346 635 H GLN 88 H GLN 88 3.789 -13.494 -2.459 636 HA GLN 88 HA GLN 88 5.055 -11.338 -1.158 637 1HB GLN 88 2HB GLN 88 5.940 -12.939 0.240 638 2HB GLN 88 1HB GLN 88 4.695 -13.919 -0.517 639 1HG GLN 88 2HG GLN 88 6.572 -15.297 -0.716 640 2HG GLN 88 1HG GLN 88 6.564 -14.480 -2.270 641 1HE2 GLN 88 1HE2 GLN 88 7.379 -11.959 -0.692 642 2HE2 GLN 88 2HE2 GLN 88 9.050 -12.130 -0.492 643 H ALA 89 H ALA 89 5.965 -13.331 -3.893 644 HA ALA 89 HA ALA 89 8.617 -12.195 -4.102 645 1HB ALA 89 1HB ALA 89 8.726 -13.426 -6.226 646 2HB ALA 89 2HB ALA 89 7.005 -13.797 -6.111 647 3HB ALA 89 3HB ALA 89 8.133 -14.474 -4.936 648 H ALA 90 H ALA 90 5.479 -11.864 -5.765 649 HA ALA 90 HA ALA 90 6.391 -9.875 -7.592 650 1HB ALA 90 1HB ALA 90 4.009 -9.362 -7.929 651 2HB ALA 90 2HB ALA 90 3.606 -10.375 -6.547 652 3HB ALA 90 3HB ALA 90 4.314 -11.096 -7.992 653 H ALA 91 H ALA 91 5.798 -9.854 -4.255 654 HA ALA 91 HA ALA 91 5.071 -7.069 -4.026 655 1HB ALA 91 1HB ALA 91 5.359 -7.452 -1.600 656 2HB ALA 91 2HB ALA 91 5.969 -9.069 -1.944 657 3HB ALA 91 3HB ALA 91 4.302 -8.653 -2.340 658 H GLU 92 H GLU 92 8.011 -9.014 -3.584 659 HA GLU 92 HA GLU 92 9.619 -6.963 -2.546 660 1HB GLU 92 2HB GLU 92 11.381 -8.441 -2.733 661 2HB GLU 92 1HB GLU 92 10.041 -9.573 -2.877 662 1HG GLU 92 2HG GLU 92 10.223 -9.228 -5.412 663 2HG GLU 92 1HG GLU 92 11.758 -8.431 -5.087 664 H GLN 93 H GLN 93 8.901 -7.848 -5.921 665 HA GLN 93 HA GLN 93 10.779 -6.083 -7.087 666 1HB GLN 93 2HB GLN 93 9.229 -6.164 -9.104 667 2HB GLN 93 1HB GLN 93 9.835 -7.718 -8.528 668 1HG GLN 93 2HG GLN 93 7.772 -8.073 -7.277 669 2HG GLN 93 1HG GLN 93 7.152 -6.517 -7.820 670 1HE2 GLN 93 1HE2 GLN 93 5.987 -6.534 -9.761 671 2HE2 GLN 93 2HE2 GLN 93 5.986 -7.817 -10.871 672 H LEU 94 H LEU 94 7.949 -5.426 -5.314 673 HA LEU 94 HA LEU 94 7.387 -2.875 -6.613 674 1HB LEU 94 2HB LEU 94 6.383 -3.863 -3.929 675 2HB LEU 94 1HB LEU 94 5.733 -2.536 -4.883 676 HG LEU 94 HG LEU 94 5.706 -5.475 -5.609 677 1HD1 LEU 94 1HD1 LEU 94 3.951 -5.035 -4.068 678 2HD1 LEU 94 2HD1 LEU 94 3.183 -4.954 -5.651 679 3HD1 LEU 94 3HD1 LEU 94 3.594 -3.469 -4.791 680 1HD2 LEU 94 1HD2 LEU 94 5.080 -2.994 -7.208 681 2HD2 LEU 94 2HD2 LEU 94 4.247 -4.509 -7.555 682 3HD2 LEU 94 3HD2 LEU 94 6.001 -4.417 -7.691 683 H LYS 95 H LYS 95 8.835 -4.099 -3.639 684 HA LYS 95 HA LYS 95 9.435 -1.753 -2.314 685 1HB LYS 95 2HB LYS 95 11.149 -4.237 -2.607 686 2HB LYS 95 1HB LYS 95 11.467 -2.954 -1.444 687 1HG LYS 95 2HG LYS 95 8.748 -4.262 -1.499 688 2HG LYS 95 1HG LYS 95 10.089 -5.079 -0.706 689 1HD LYS 95 2HD LYS 95 10.436 -3.217 0.795 690 2HD LYS 95 1HD LYS 95 9.270 -2.230 -0.082 691 1HE LYS 95 2HE LYS 95 8.119 -3.071 1.841 692 2HE LYS 95 1HE LYS 95 7.531 -4.000 0.462 693 1HZ LYS 95 1HZ LYS 95 9.219 -5.701 1.022 694 2HZ LYS 95 2HZ LYS 95 8.036 -5.500 2.225 695 3HZ LYS 95 3HZ LYS 95 9.586 -4.834 2.432 696 H THR 96 H THR 96 11.122 -3.296 -4.985 697 HA THR 96 HA THR 96 13.237 -1.378 -5.136 698 HB THR 96 HB THR 96 12.249 -3.057 -7.424 699 HG1 THR 96 1HG THR 96 13.837 -4.589 -6.452 700 1HG2 THR 96 1HG2 THR 96 15.020 -2.201 -6.549 701 2HG2 THR 96 2HG2 THR 96 14.075 -1.421 -7.817 702 3HG2 THR 96 3HG2 THR 96 14.620 -3.085 -8.022 703 H THR 97 H THR 97 10.112 -1.795 -6.726 704 HA THR 97 HA THR 97 10.337 0.198 -8.680 705 HB THR 97 HB THR 97 7.800 -0.585 -7.235 706 HG1 THR 97 1HG THR 97 8.327 -1.829 -9.580 707 1HG2 THR 97 1HG2 THR 97 7.576 1.331 -8.734 708 2HG2 THR 97 2HG2 THR 97 6.800 -0.079 -9.454 709 3HG2 THR 97 3HG2 THR 97 8.385 0.443 -10.025 710 H ILE 98 H ILE 98 8.789 0.433 -5.442 711 HA ILE 98 HA ILE 98 8.284 3.194 -5.673 712 HB ILE 98 HB ILE 98 7.687 3.192 -3.409 713 1HG1 ILE 98 2HG1 ILE 98 9.639 0.900 -3.032 714 2HG1 ILE 98 1HG1 ILE 98 9.819 2.544 -2.412 715 1HG2 ILE 98 1HG2 ILE 98 7.452 0.236 -3.954 716 2HG2 ILE 98 2HG2 ILE 98 6.538 1.407 -4.904 717 3HG2 ILE 98 3HG2 ILE 98 6.301 1.308 -3.160 718 1HD1 ILE 98 1HD1 ILE 98 9.009 1.247 -0.578 719 2HD1 ILE 98 2HD1 ILE 98 7.798 0.449 -1.581 720 3HD1 ILE 98 3HD1 ILE 98 7.616 2.154 -1.169 721 H ARG 99 H ARG 99 11.180 1.386 -4.974 722 HA ARG 99 HA ARG 99 12.543 3.562 -3.723 723 1HB ARG 99 2HB ARG 99 13.339 0.896 -4.741 724 2HB ARG 99 1HB ARG 99 14.604 2.107 -4.859 725 1HG ARG 99 2HG ARG 99 13.072 1.401 -2.333 726 2HG ARG 99 1HG ARG 99 14.717 0.899 -2.709 727 1HD ARG 99 2HD ARG 99 14.921 3.625 -3.043 728 2HD ARG 99 1HD ARG 99 13.725 3.530 -1.756 729 HE ARG 99 HE ARG 99 15.922 1.801 -1.200 730 1HH1 ARG 99 1HH2 ARG 99 14.949 5.120 -1.314 731 2HH1 ARG 99 2HH2 ARG 99 16.075 5.635 -0.102 732 1HH2 ARG 99 1HH1 ARG 99 17.404 2.471 0.387 733 2HH2 ARG 99 2HH1 ARG 99 17.464 4.136 0.860 734 H ALA 100 H ALA 100 11.594 2.892 -6.901 735 HA ALA 100 HA ALA 100 13.574 4.562 -8.191 736 1HB ALA 100 1HB ALA 100 12.185 2.749 -9.353 737 2HB ALA 100 2HB ALA 100 12.234 4.312 -10.168 738 3HB ALA 100 3HB ALA 100 10.813 3.851 -9.230 739 H TYR 101 H TYR 101 10.255 4.873 -6.955 740 HA TYR 101 HA TYR 101 10.133 7.684 -7.633 741 1HB TYR 101 2HB TYR 101 7.939 7.016 -7.510 742 2HB TYR 101 1HB TYR 101 8.315 5.672 -6.439 743 HD1 TYR 101 1HD TYR 101 8.192 9.448 -6.399 744 HD2 TYR 101 2HD TYR 101 7.582 5.788 -4.217 745 HE1 TYR 101 1HE TYR 101 7.401 10.738 -4.442 746 HE2 TYR 101 2HE TYR 101 6.765 7.088 -2.273 747 HH TYR 101 HH TYR 101 5.915 9.194 -1.693 748 H ASN 102 H ASN 102 10.795 5.726 -4.756 749 HA ASN 102 HA ASN 102 10.973 7.921 -2.968 750 1HB ASN 102 2HB ASN 102 10.888 5.277 -2.546 751 2HB ASN 102 1HB ASN 102 12.641 5.462 -2.515 752 1HD2 ASN 102 1HD2 ASN 102 12.591 8.155 -1.403 753 2HD2 ASN 102 2HD2 ASN 102 12.105 8.011 0.216 754 H GLN 103 H GLN 103 13.433 6.149 -4.828 755 HA GLN 103 HA GLN 103 15.573 7.807 -3.886 756 1HB GLN 103 2HB GLN 103 15.818 5.446 -4.746 757 2HB GLN 103 1HB GLN 103 15.526 6.098 -6.359 758 1HG GLN 103 2HG GLN 103 17.543 7.283 -6.404 759 2HG GLN 103 1HG GLN 103 17.682 7.322 -4.649 760 1HE2 GLN 103 1HE2 GLN 103 17.039 4.440 -6.699 761 2HE2 GLN 103 2HE2 GLN 103 18.450 3.619 -6.240 762 H LYS 104 H LYS 104 13.652 7.666 -6.888 763 HA LYS 104 HA LYS 104 15.064 9.551 -8.362 764 1HB LYS 104 2HB LYS 104 13.254 8.441 -9.468 765 2HB LYS 104 1HB LYS 104 12.085 9.033 -8.286 766 1HG LYS 104 2HG LYS 104 11.993 11.171 -9.212 767 2HG LYS 104 1HG LYS 104 13.660 11.103 -9.783 768 1HD LYS 104 2HD LYS 104 13.046 9.665 -11.628 769 2HD LYS 104 1HD LYS 104 11.414 9.462 -10.991 770 1HE LYS 104 2HE LYS 104 10.959 11.847 -11.322 771 2HE LYS 104 1HE LYS 104 12.609 12.100 -11.894 772 1HZ LYS 104 1HZ LYS 104 10.816 10.139 -13.183 773 2HZ LYS 104 2HZ LYS 104 12.216 10.869 -13.810 774 3HZ LYS 104 3HZ LYS 104 10.790 11.775 -13.626 775 H TYR 105 H TYR 105 12.351 10.042 -6.176 776 HA TYR 105 HA TYR 105 12.670 12.922 -6.234 777 1HB TYR 105 2HB TYR 105 10.665 11.039 -5.000 778 2HB TYR 105 1HB TYR 105 10.588 12.791 -4.841 779 HD1 TYR 105 1HD TYR 105 10.237 14.182 -6.781 780 HD2 TYR 105 2HD TYR 105 10.241 9.954 -7.178 781 HE1 TYR 105 1HE TYR 105 9.257 14.394 -9.048 782 HE2 TYR 105 2HE TYR 105 9.225 10.132 -9.419 783 HH TYR 105 HH TYR 105 7.790 11.895 -10.645 784 H GLY 106 H GLY 106 13.512 10.265 -4.137 785 1HA GLY 106 2HA GLY 106 13.826 12.070 -1.828 786 2HA GLY 106 1HA GLY 106 13.975 10.335 -1.794 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 -8.664 -6.299 -11.555 2 2H ALA 1 2HT ALA 1 -9.426 -6.282 -10.036 3 3H ALA 1 3HT ALA 1 -10.086 -7.190 -11.311 4 HA ALA 1 HA ALA 1 -8.644 -8.889 -11.072 5 1HB ALA 1 1HB ALA 1 -6.698 -7.480 -11.640 6 2HB ALA 1 2HB ALA 1 -6.318 -8.572 -10.309 7 3HB ALA 1 3HB ALA 1 -6.655 -6.871 -9.986 8 H ASP 2 H ASP 2 -9.083 -6.449 -8.604 9 HA ASP 2 HA ASP 2 -9.567 -8.575 -6.604 10 1HB ASP 2 2HB ASP 2 -7.995 -6.035 -6.099 11 2HB ASP 2 1HB ASP 2 -8.418 -7.251 -4.895 12 H LEU 3 H LEU 3 -11.329 -8.245 -5.364 13 HA LEU 3 HA LEU 3 -12.515 -5.598 -5.097 14 1HB LEU 3 2HB LEU 3 -14.743 -6.430 -5.904 15 2HB LEU 3 1HB LEU 3 -13.541 -6.228 -7.176 16 HG LEU 3 HG LEU 3 -13.694 -8.929 -5.861 17 1HD1 LEU 3 1HD1 LEU 3 -15.749 -7.905 -7.844 18 2HD1 LEU 3 2HD1 LEU 3 -16.059 -8.454 -6.196 19 3HD1 LEU 3 3HD1 LEU 3 -15.522 -9.603 -7.422 20 1HD2 LEU 3 1HD2 LEU 3 -13.266 -9.655 -8.209 21 2HD2 LEU 3 2HD2 LEU 3 -12.050 -8.516 -7.640 22 3HD2 LEU 3 3HD2 LEU 3 -13.329 -7.971 -8.722 23 H GLU 4 H GLU 4 -11.619 -8.429 -3.801 24 HA GLU 4 HA GLU 4 -13.430 -8.116 -1.514 25 1HB GLU 4 2HB GLU 4 -13.093 -10.679 -3.085 26 2HB GLU 4 1HB GLU 4 -13.732 -10.627 -1.442 27 1HG GLU 4 2HG GLU 4 -15.490 -9.031 -2.219 28 2HG GLU 4 1HG GLU 4 -14.891 -9.220 -3.864 29 H ASP 5 H ASP 5 -10.393 -8.453 -2.755 30 HA ASP 5 HA ASP 5 -9.212 -10.082 -0.680 31 1HB ASP 5 2HB ASP 5 -8.234 -9.918 -2.960 32 2HB ASP 5 1HB ASP 5 -7.872 -8.220 -2.655 33 H ASN 6 H ASN 6 -9.842 -9.066 1.252 34 HA ASN 6 HA ASN 6 -9.111 -6.289 1.731 35 1HB ASN 6 2HB ASN 6 -10.146 -8.323 3.714 36 2HB ASN 6 1HB ASN 6 -10.177 -6.566 3.861 37 1HD2 ASN 6 1HD2 ASN 6 -11.293 -5.559 1.675 38 2HD2 ASN 6 2HD2 ASN 6 -12.781 -6.281 1.293 39 H ASP 7 H ASP 7 -7.014 -8.280 1.128 40 HA ASP 7 HA ASP 7 -5.005 -9.081 1.953 41 1HB ASP 7 2HB ASP 7 -3.662 -7.337 3.010 42 2HB ASP 7 1HB ASP 7 -4.600 -6.657 1.682 43 H GLU 8 H GLU 8 -7.423 -9.707 3.575 44 HA GLU 8 HA GLU 8 -7.947 -10.681 5.589 45 1HB GLU 8 2HB GLU 8 -4.955 -10.984 5.911 46 2HB GLU 8 1HB GLU 8 -6.218 -11.969 6.651 47 1HG GLU 8 2HG GLU 8 -6.949 -12.675 4.372 48 2HG GLU 8 1HG GLU 8 -5.599 -11.773 3.690 49 H THR 9 H THR 9 -6.216 -10.665 7.960 50 HA THR 9 HA THR 9 -5.807 -7.886 8.666 51 HB THR 9 HB THR 9 -7.970 -9.444 10.100 52 HG1 THR 9 1HG THR 9 -9.042 -8.817 8.394 53 1HG2 THR 9 1HG2 THR 9 -8.395 -7.205 11.130 54 2HG2 THR 9 2HG2 THR 9 -6.951 -6.599 10.317 55 3HG2 THR 9 3HG2 THR 9 -6.811 -7.864 11.538 56 H GLY 10 H GLY 10 -6.324 -11.163 9.970 57 1HA GLY 10 2HA GLY 10 -3.694 -11.331 11.049 58 2HA GLY 10 1HA GLY 10 -4.858 -10.958 12.317 59 H ASN 11 H ASN 11 -6.297 -12.694 9.818 60 HA ASN 11 HA ASN 11 -6.513 -15.067 11.485 61 1HB ASN 11 2HB ASN 11 -7.727 -14.283 8.832 62 2HB ASN 11 1HB ASN 11 -8.004 -15.847 9.595 63 1HD2 ASN 11 1HD2 ASN 11 -7.587 -13.056 11.680 64 2HD2 ASN 11 2HD2 ASN 11 -9.218 -12.915 12.130 65 H ASP 12 H ASP 12 -3.915 -14.327 10.239 66 HA ASP 12 HA ASP 12 -3.381 -16.127 8.091 67 1HB ASP 12 2HB ASP 12 -1.995 -14.128 8.569 68 2HB ASP 12 1HB ASP 12 -1.442 -14.892 10.058 69 H ASN 13 H ASN 13 -3.535 -18.306 8.328 70 HA ASN 13 HA ASN 13 -3.164 -19.577 10.892 71 1HB ASN 13 2HB ASN 13 -3.435 -20.905 8.191 72 2HB ASN 13 1HB ASN 13 -3.780 -21.602 9.773 73 1HD2 ASN 13 1HD2 ASN 13 -5.470 -20.084 11.068 74 2HD2 ASN 13 2HD2 ASN 13 -6.817 -19.612 10.150 75 H GLY 14 H GLY 14 -1.139 -18.657 8.318 76 1HA GLY 14 2HA GLY 14 0.815 -20.756 8.566 77 2HA GLY 14 1HA GLY 14 1.015 -19.239 7.695 78 H LYS 15 H LYS 15 1.094 -20.725 10.898 79 HA LYS 15 HA LYS 15 2.571 -18.413 11.990 80 1HB LYS 15 2HB LYS 15 1.489 -20.856 13.411 81 2HB LYS 15 1HB LYS 15 2.132 -19.395 14.163 82 1HG LYS 15 2HG LYS 15 0.322 -18.111 12.899 83 2HG LYS 15 1HG LYS 15 -0.398 -19.679 12.529 84 1HD LYS 15 2HD LYS 15 0.155 -18.595 15.308 85 2HD LYS 15 1HD LYS 15 -1.429 -18.713 14.543 86 1HE LYS 15 2HE LYS 15 -1.343 -20.653 15.866 87 2HE LYS 15 1HE LYS 15 -0.857 -21.245 14.278 88 1HZ LYS 15 1HZ LYS 15 1.051 -21.896 15.155 89 2HZ LYS 15 2HZ LYS 15 0.592 -21.297 16.677 90 3HZ LYS 15 3HZ LYS 15 1.422 -20.297 15.582 91 H GLY 16 H GLY 16 3.942 -19.952 10.090 92 1HA GLY 16 2HA GLY 16 5.598 -21.912 11.417 93 2HA GLY 16 1HA GLY 16 5.798 -21.312 9.773 94 H GLY 17 H GLY 17 5.923 -19.928 13.067 95 1HA GLY 17 2HA GLY 17 8.032 -18.098 12.311 96 2HA GLY 17 1HA GLY 17 7.321 -18.274 13.912 97 H GLU 18 H GLU 18 8.157 -21.275 12.692 98 HA GLU 18 HA GLU 18 10.276 -21.618 14.600 99 1HB GLU 18 2HB GLU 18 9.132 -23.389 12.437 100 2HB GLU 18 1HB GLU 18 10.469 -23.889 13.474 101 1HG GLU 18 2HG GLU 18 8.318 -24.663 14.393 102 2HG GLU 18 1HG GLU 18 9.075 -23.489 15.470 103 H LYS 19 H LYS 19 11.897 -20.205 14.068 104 HA LYS 19 HA LYS 19 13.968 -19.773 13.204 105 1HB LYS 19 2HB LYS 19 13.669 -22.408 12.560 106 2HB LYS 19 1HB LYS 19 13.752 -21.713 10.952 107 1HG LYS 19 2HG LYS 19 16.015 -21.969 11.276 108 2HG LYS 19 1HG LYS 19 15.862 -20.409 12.079 109 1HD LYS 19 2HD LYS 19 15.796 -23.146 13.413 110 2HD LYS 19 1HD LYS 19 17.118 -21.985 13.494 111 1HE LYS 19 2HE LYS 19 15.631 -20.380 14.656 112 2HE LYS 19 1HE LYS 19 14.311 -21.560 14.600 113 1HZ LYS 19 1HZ LYS 19 15.512 -21.585 16.715 114 2HZ LYS 19 2HZ LYS 19 16.947 -21.996 15.901 115 3HZ LYS 19 3HZ LYS 19 15.630 -23.070 15.903 116 H ALA 20 H ALA 20 14.160 -17.916 12.236 117 HA ALA 20 HA ALA 20 12.512 -17.229 9.925 118 1HB ALA 20 1HB ALA 20 14.652 -15.528 11.210 119 2HB ALA 20 2HB ALA 20 13.024 -15.645 11.875 120 3HB ALA 20 3HB ALA 20 13.268 -14.998 10.252 121 H ASP 21 H ASP 21 13.387 -18.636 8.352 122 HA ASP 21 HA ASP 21 16.185 -18.064 7.542 123 1HB ASP 21 2HB ASP 21 15.842 -20.355 8.359 124 2HB ASP 21 1HB ASP 21 14.584 -20.595 7.150 125 H ASN 22 H ASN 22 13.557 -19.775 5.886 126 HA ASN 22 HA ASN 22 13.983 -18.065 3.521 127 1HB ASN 22 2HB ASN 22 12.621 -19.910 2.399 128 2HB ASN 22 1HB ASN 22 14.225 -20.351 2.979 129 1HD2 ASN 22 1HD2 ASN 22 12.399 -22.422 2.656 130 2HD2 ASN 22 2HD2 ASN 22 11.872 -22.977 4.170 131 H ALA 23 H ALA 23 11.049 -19.856 3.846 132 HA ALA 23 HA ALA 23 9.335 -17.846 3.102 133 1HB ALA 23 1HB ALA 23 7.533 -19.193 4.121 134 2HB ALA 23 2HB ALA 23 8.745 -20.153 4.969 135 3HB ALA 23 3HB ALA 23 8.661 -20.195 3.208 136 H ALA 24 H ALA 24 9.996 -18.883 6.440 137 HA ALA 24 HA ALA 24 8.420 -17.028 7.774 138 1HB ALA 24 1HB ALA 24 9.405 -18.738 9.073 139 2HB ALA 24 2HB ALA 24 10.190 -17.257 9.620 140 3HB ALA 24 3HB ALA 24 11.028 -18.343 8.510 141 H GLN 25 H GLN 25 11.865 -16.716 6.916 142 HA GLN 25 HA GLN 25 12.282 -14.127 7.843 143 1HB GLN 25 2HB GLN 25 13.947 -15.866 6.899 144 2HB GLN 25 1HB GLN 25 13.551 -15.194 5.325 145 1HG GLN 25 2HG GLN 25 15.519 -14.054 6.165 146 2HG GLN 25 1HG GLN 25 14.166 -12.927 6.181 147 1HE2 GLN 25 1HE2 GLN 25 15.394 -15.450 8.493 148 2HE2 GLN 25 2HE2 GLN 25 15.344 -14.416 9.838 149 H VAL 26 H VAL 26 11.386 -15.167 4.556 150 HA VAL 26 HA VAL 26 11.161 -12.554 3.498 151 HB VAL 26 HB VAL 26 10.255 -15.287 2.627 152 1HG1 VAL 26 1HG1 VAL 26 9.490 -14.140 0.465 153 2HG1 VAL 26 2HG1 VAL 26 9.434 -12.647 1.402 154 3HG1 VAL 26 3HG1 VAL 26 8.403 -14.008 1.851 155 1HG2 VAL 26 1HG2 VAL 26 12.574 -14.708 2.215 156 2HG2 VAL 26 2HG2 VAL 26 12.113 -13.162 1.501 157 3HG2 VAL 26 3HG2 VAL 26 11.724 -14.663 0.673 158 H LYS 27 H LYS 27 9.010 -14.396 5.492 159 HA LYS 27 HA LYS 27 6.625 -13.010 4.693 160 1HB LYS 27 2HB LYS 27 6.017 -15.018 5.610 161 2HB LYS 27 1HB LYS 27 7.423 -15.073 6.664 162 1HG LYS 27 2HG LYS 27 6.414 -13.685 8.281 163 2HG LYS 27 1HG LYS 27 5.158 -13.149 7.167 164 1HD LYS 27 2HD LYS 27 4.254 -14.794 8.769 165 2HD LYS 27 1HD LYS 27 4.216 -15.432 7.125 166 1HE LYS 27 2HE LYS 27 6.104 -16.822 7.504 167 2HE LYS 27 1HE LYS 27 6.536 -15.969 8.986 168 1HZ LYS 27 1HZ LYS 27 4.307 -17.845 8.519 169 2HZ LYS 27 2HZ LYS 27 4.255 -16.732 9.801 170 3HZ LYS 27 3HZ LYS 27 5.497 -17.889 9.726 171 H ASP 28 H ASP 28 8.667 -12.910 7.642 172 HA ASP 28 HA ASP 28 7.426 -10.691 8.818 173 1HB ASP 28 2HB ASP 28 10.344 -11.514 8.914 174 2HB ASP 28 1HB ASP 28 9.584 -10.352 10.001 175 H ALA 29 H ALA 29 9.584 -11.010 6.141 176 HA ALA 29 HA ALA 29 10.342 -8.231 6.005 177 1HB ALA 29 1HB ALA 29 11.484 -8.829 3.986 178 2HB ALA 29 2HB ALA 29 10.547 -10.315 3.824 179 3HB ALA 29 3HB ALA 29 11.728 -10.154 5.125 180 H LEU 30 H LEU 30 7.695 -10.197 4.859 181 HA LEU 30 HA LEU 30 6.923 -8.382 2.747 182 1HB LEU 30 2HB LEU 30 5.801 -10.840 4.022 183 2HB LEU 30 1HB LEU 30 4.660 -9.786 3.194 184 HG LEU 30 HG LEU 30 7.229 -10.538 1.804 185 1HD1 LEU 30 1HD1 LEU 30 4.820 -12.301 2.222 186 2HD1 LEU 30 2HD1 LEU 30 6.526 -12.710 2.384 187 3HD1 LEU 30 3HD1 LEU 30 5.829 -12.463 0.783 188 1HD2 LEU 30 1HD2 LEU 30 4.439 -10.233 0.680 189 2HD2 LEU 30 2HD2 LEU 30 5.980 -10.077 -0.164 190 3HD2 LEU 30 3HD2 LEU 30 5.470 -8.835 0.976 191 H THR 31 H THR 31 6.321 -8.770 6.150 192 HA THR 31 HA THR 31 4.102 -6.961 6.253 193 HB THR 31 HB THR 31 4.292 -7.141 8.644 194 HG1 THR 31 1HG THR 31 6.453 -8.787 8.698 195 1HG2 THR 31 1HG2 THR 31 4.229 -9.598 8.852 196 2HG2 THR 31 2HG2 THR 31 4.963 -9.740 7.249 197 3HG2 THR 31 3HG2 THR 31 3.353 -9.033 7.427 198 H LYS 32 H LYS 32 7.576 -6.715 6.385 199 HA LYS 32 HA LYS 32 7.940 -4.258 7.624 200 1HB LYS 32 2HB LYS 32 9.542 -6.001 6.168 201 2HB LYS 32 1HB LYS 32 9.518 -4.584 5.129 202 1HG LYS 32 2HG LYS 32 10.206 -4.525 8.087 203 2HG LYS 32 1HG LYS 32 11.401 -4.587 6.797 204 1HD LYS 32 2HD LYS 32 9.309 -2.419 6.744 205 2HD LYS 32 1HD LYS 32 10.684 -2.256 7.829 206 1HE LYS 32 2HE LYS 32 10.891 -2.737 4.840 207 2HE LYS 32 1HE LYS 32 11.103 -1.177 5.632 208 1HZ LYS 32 1HZ LYS 32 12.680 -3.307 6.768 209 2HZ LYS 32 2HZ LYS 32 13.130 -1.724 6.346 210 3HZ LYS 32 3HZ LYS 32 13.079 -2.941 5.161 211 H MET 33 H MET 33 7.559 -4.809 4.125 212 HA MET 33 HA MET 33 7.101 -2.174 3.348 213 1HB MET 33 2HB MET 33 6.122 -4.811 2.247 214 2HB MET 33 1HB MET 33 5.695 -3.278 1.486 215 1HG MET 33 2HG MET 33 8.008 -2.740 1.093 216 2HG MET 33 1HG MET 33 8.550 -4.096 2.080 217 1HE MET 33 1HE MET 33 9.453 -6.177 0.943 218 2HE MET 33 2HE MET 33 8.281 -7.161 0.071 219 3HE MET 33 3HE MET 33 7.866 -6.504 1.652 220 H ARG 34 H ARG 34 4.526 -4.639 3.712 221 HA ARG 34 HA ARG 34 2.268 -3.206 3.701 222 1HB ARG 34 2HB ARG 34 2.533 -5.655 4.340 223 2HB ARG 34 1HB ARG 34 2.800 -5.096 5.986 224 1HG ARG 34 2HG ARG 34 0.637 -3.974 6.006 225 2HG ARG 34 1HG ARG 34 0.358 -4.441 4.329 226 1HD ARG 34 2HD ARG 34 0.172 -6.739 4.885 227 2HD ARG 34 1HD ARG 34 0.922 -6.506 6.464 228 HE ARG 34 HE ARG 34 -1.860 -6.142 5.819 229 1HH1 ARG 34 1HH2 ARG 34 0.771 -5.117 7.818 230 2HH1 ARG 34 2HH2 ARG 34 -0.242 -4.592 9.122 231 1HH2 ARG 34 1HH1 ARG 34 -3.196 -5.456 7.525 232 2HH2 ARG 34 2HH1 ARG 34 -2.487 -4.784 8.955 233 H ALA 35 H ALA 35 3.704 -3.828 6.905 234 HA ALA 35 HA ALA 35 2.330 -1.963 8.363 235 1HB ALA 35 1HB ALA 35 5.269 -2.621 8.676 236 2HB ALA 35 2HB ALA 35 3.932 -3.559 9.341 237 3HB ALA 35 3HB ALA 35 4.230 -1.918 9.916 238 H ALA 36 H ALA 36 4.901 -1.362 6.091 239 HA ALA 36 HA ALA 36 5.340 1.369 6.929 240 1HB ALA 36 1HB ALA 36 6.206 0.320 4.249 241 2HB ALA 36 2HB ALA 36 6.991 -0.277 5.710 242 3HB ALA 36 3HB ALA 36 7.028 1.444 5.330 243 H ALA 37 H ALA 37 3.677 -0.274 4.257 244 HA ALA 37 HA ALA 37 2.910 1.950 2.773 245 1HB ALA 37 1HB ALA 37 1.109 0.575 1.902 246 2HB ALA 37 2HB ALA 37 1.239 -0.524 3.275 247 3HB ALA 37 3HB ALA 37 2.547 -0.426 2.096 248 H LEU 38 H LEU 38 1.336 0.445 5.581 249 HA LEU 38 HA LEU 38 -0.814 2.395 5.593 250 1HB LEU 38 2HB LEU 38 0.032 0.144 7.402 251 2HB LEU 38 1HB LEU 38 -1.092 1.352 8.017 252 HG LEU 38 HG LEU 38 -2.598 0.926 6.102 253 1HD1 LEU 38 1HD1 LEU 38 -0.543 -1.193 5.404 254 2HD1 LEU 38 2HD1 LEU 38 -0.965 0.219 4.435 255 3HD1 LEU 38 3HD1 LEU 38 -2.142 -1.070 4.673 256 1HD2 LEU 38 1HD2 LEU 38 -2.839 -0.356 8.218 257 2HD2 LEU 38 2HD2 LEU 38 -1.778 -1.604 7.564 258 3HD2 LEU 38 3HD2 LEU 38 -3.346 -1.300 6.817 259 H ASP 39 H ASP 39 1.867 1.719 7.837 260 HA ASP 39 HA ASP 39 1.613 3.842 9.544 261 1HB ASP 39 2HB ASP 39 3.271 2.051 9.833 262 2HB ASP 39 1HB ASP 39 4.202 2.697 8.483 263 H ALA 40 H ALA 40 3.095 3.816 6.344 264 HA ALA 40 HA ALA 40 4.074 6.500 6.520 265 1HB ALA 40 1HB ALA 40 5.101 4.850 5.020 266 2HB ALA 40 2HB ALA 40 4.527 6.255 4.120 267 3HB ALA 40 3HB ALA 40 3.601 4.755 4.097 268 H GLN 41 H GLN 41 1.272 4.985 4.967 269 HA GLN 41 HA GLN 41 0.191 6.976 3.524 270 1HB GLN 41 2HB GLN 41 -1.255 5.218 3.361 271 2HB GLN 41 1HB GLN 41 -0.896 4.667 4.989 272 1HG GLN 41 2HG GLN 41 -2.604 7.129 4.752 273 2HG GLN 41 1HG GLN 41 -3.325 5.634 4.279 274 1HE2 GLN 41 1HE2 GLN 41 -0.901 5.868 6.876 275 2HE2 GLN 41 2HE2 GLN 41 -1.972 5.429 8.110 276 H LYS 42 H LYS 42 -0.118 6.756 7.101 277 HA LYS 42 HA LYS 42 -0.397 9.683 7.129 278 1HB LYS 42 2HB LYS 42 -2.648 7.826 7.787 279 2HB LYS 42 1HB LYS 42 -2.493 9.291 8.742 280 1HG LYS 42 2HG LYS 42 -2.482 10.631 6.641 281 2HG LYS 42 1HG LYS 42 -2.743 9.163 5.723 282 1HD LYS 42 2HD LYS 42 -4.617 10.379 7.756 283 2HD LYS 42 1HD LYS 42 -4.872 10.222 6.018 284 1HE LYS 42 2HE LYS 42 -6.110 8.423 6.841 285 2HE LYS 42 1HE LYS 42 -4.569 7.658 6.465 286 1HZ LYS 42 1HZ LYS 42 -5.864 7.830 8.938 287 2HZ LYS 42 2HZ LYS 42 -4.422 8.723 9.049 288 3HZ LYS 42 3HZ LYS 42 -4.380 7.090 8.581 289 H ALA 43 H ALA 43 1.019 7.052 8.531 290 HA ALA 43 HA ALA 43 0.919 8.216 11.263 291 1HB ALA 43 1HB ALA 43 0.605 5.636 10.595 292 2HB ALA 43 2HB ALA 43 1.318 6.134 12.127 293 3HB ALA 43 3HB ALA 43 2.358 5.647 10.793 294 H THR 44 H THR 44 2.756 8.537 8.559 295 HA THR 44 HA THR 44 4.956 9.657 10.057 296 HB THR 44 HB THR 44 5.437 7.315 8.220 297 HG1 THR 44 1HG THR 44 4.778 6.568 10.177 298 1HG2 THR 44 1HG2 THR 44 7.240 8.876 7.981 299 2HG2 THR 44 2HG2 THR 44 7.807 7.624 9.086 300 3HG2 THR 44 3HG2 THR 44 7.282 9.185 9.717 301 HA PRO 45 HA PRO 45 3.601 12.063 6.267 302 1HB PRO 45 2HB PRO 45 5.619 13.726 7.761 303 2HB PRO 45 1HB PRO 45 4.188 14.258 6.849 304 1HG PRO 45 2HG PRO 45 4.074 14.061 9.481 305 2HG PRO 45 1HG PRO 45 2.712 13.519 8.482 306 1HD PRO 45 2HD PRO 45 4.682 11.887 10.006 307 2HD PRO 45 1HD PRO 45 3.015 11.479 9.538 308 HA PRO 46 HA PRO 46 7.590 10.602 4.525 309 1HB PRO 46 2HB PRO 46 6.661 9.262 2.405 310 2HB PRO 46 1HB PRO 46 6.433 8.624 4.046 311 1HG PRO 46 2HG PRO 46 4.474 10.032 2.285 312 2HG PRO 46 1HG PRO 46 4.226 8.652 3.358 313 1HD PRO 46 2HD PRO 46 3.648 11.334 4.003 314 2HD PRO 46 1HD PRO 46 3.795 10.006 5.173 315 H LYS 47 H LYS 47 5.963 10.669 1.536 316 HA LYS 47 HA LYS 47 7.563 12.896 0.600 317 1HB LYS 47 2HB LYS 47 5.509 11.223 -0.864 318 2HB LYS 47 1HB LYS 47 6.693 12.298 -1.600 319 1HG LYS 47 2HG LYS 47 8.462 10.843 -1.247 320 2HG LYS 47 1HG LYS 47 7.778 10.187 0.235 321 1HD LYS 47 2HD LYS 47 7.679 8.428 -1.376 322 2HD LYS 47 1HD LYS 47 6.031 9.025 -1.216 323 1HE LYS 47 2HE LYS 47 6.159 9.057 -3.520 324 2HE LYS 47 1HE LYS 47 6.902 10.631 -3.237 325 1HZ LYS 47 1HZ LYS 47 8.136 8.994 -4.712 326 2HZ LYS 47 2HZ LYS 47 8.502 8.145 -3.286 327 3HZ LYS 47 3HZ LYS 47 9.028 9.749 -3.483 328 H LEU 48 H LEU 48 4.445 12.482 1.913 329 HA LEU 48 HA LEU 48 3.163 14.631 0.456 330 1HB LEU 48 2HB LEU 48 2.203 13.584 3.114 331 2HB LEU 48 1HB LEU 48 1.257 14.212 1.760 332 HG LEU 48 HG LEU 48 2.861 11.626 1.685 333 1HD1 LEU 48 1HD1 LEU 48 0.817 11.709 3.246 334 2HD1 LEU 48 2HD1 LEU 48 0.846 10.437 2.026 335 3HD1 LEU 48 3HD1 LEU 48 -0.145 11.872 1.778 336 1HD2 LEU 48 1HD2 LEU 48 1.366 11.275 -0.357 337 2HD2 LEU 48 2HD2 LEU 48 2.620 12.503 -0.530 338 3HD2 LEU 48 3HD2 LEU 48 0.949 12.983 -0.228 339 H GLU 49 H GLU 49 5.680 15.366 1.655 340 HA GLU 49 HA GLU 49 5.503 16.740 4.068 341 1HB GLU 49 2HB GLU 49 7.080 17.309 1.554 342 2HB GLU 49 1HB GLU 49 7.246 18.292 3.009 343 1HG GLU 49 2HG GLU 49 7.561 15.281 3.007 344 2HG GLU 49 1HG GLU 49 8.915 16.392 2.805 345 H ASP 50 H ASP 50 4.231 17.501 0.930 346 HA ASP 50 HA ASP 50 2.580 19.608 2.023 347 1HB ASP 50 2HB ASP 50 4.688 20.813 1.514 348 2HB ASP 50 1HB ASP 50 4.573 20.269 -0.159 349 H LYS 51 H LYS 51 1.686 17.276 1.097 350 HA LYS 51 HA LYS 51 0.392 17.991 -1.458 351 1HB LYS 51 2HB LYS 51 1.354 15.178 -0.922 352 2HB LYS 51 1HB LYS 51 0.761 15.863 -2.432 353 1HG LYS 51 2HG LYS 51 2.741 17.253 -2.636 354 2HG LYS 51 1HG LYS 51 3.311 16.748 -1.050 355 1HD LYS 51 2HD LYS 51 4.461 15.525 -2.879 356 2HD LYS 51 1HD LYS 51 3.549 14.442 -1.833 357 1HE LYS 51 2HE LYS 51 1.883 14.079 -3.442 358 2HE LYS 51 1HE LYS 51 2.266 15.559 -4.320 359 1HZ LYS 51 1HZ LYS 51 4.261 13.405 -4.093 360 2HZ LYS 51 2HZ LYS 51 4.124 14.619 -5.274 361 3HZ LYS 51 3HZ LYS 51 3.038 13.313 -5.265 362 H SER 52 H SER 52 -0.744 18.327 1.027 363 HA SER 52 HA SER 52 -2.076 16.280 2.233 364 1HB SER 52 2HB SER 52 -2.191 19.034 2.356 365 2HB SER 52 1HB SER 52 -3.824 18.619 1.848 366 HG SER 52 HG SER 52 -2.704 18.383 4.254 367 HA PRO 53 HA PRO 53 -5.291 14.551 -0.244 368 1HB PRO 53 2HB PRO 53 -7.524 15.849 1.253 369 2HB PRO 53 1HB PRO 53 -7.178 14.125 1.017 370 1HG PRO 53 2HG PRO 53 -6.755 15.315 3.365 371 2HG PRO 53 1HG PRO 53 -5.665 14.054 2.758 372 1HD PRO 53 2HD PRO 53 -5.262 17.032 2.804 373 2HD PRO 53 1HD PRO 53 -4.095 15.728 3.112 374 H ASP 54 H ASP 54 -4.362 17.187 -1.100 375 HA ASP 54 HA ASP 54 -6.751 18.352 -2.414 376 1HB ASP 54 2HB ASP 54 -5.320 19.876 -1.091 377 2HB ASP 54 1HB ASP 54 -3.948 19.455 -2.116 378 H SER 55 H SER 55 -3.544 17.118 -2.832 379 HA SER 55 HA SER 55 -3.609 17.207 -5.755 380 1HB SER 55 2HB SER 55 -1.385 17.512 -5.324 381 2HB SER 55 1HB SER 55 -1.580 17.061 -3.646 382 HG SER 55 HG SER 55 -1.518 14.866 -4.332 383 HA PRO 56 HA PRO 56 -4.727 13.002 -6.644 384 1HB PRO 56 2HB PRO 56 -2.146 11.880 -7.296 385 2HB PRO 56 1HB PRO 56 -3.392 12.453 -8.419 386 1HG PRO 56 2HG PRO 56 -0.974 13.850 -7.415 387 2HG PRO 56 1HG PRO 56 -1.834 14.044 -8.953 388 1HD PRO 56 2HD PRO 56 -2.013 15.915 -7.048 389 2HD PRO 56 1HD PRO 56 -3.426 15.492 -8.031 390 H GLU 57 H GLU 57 -2.464 13.841 -4.244 391 HA GLU 57 HA GLU 57 -1.348 11.919 -2.881 392 1HB GLU 57 2HB GLU 57 -1.836 14.063 -1.835 393 2HB GLU 57 1HB GLU 57 -3.538 13.648 -1.703 394 1HG GLU 57 2HG GLU 57 -3.061 11.846 -0.154 395 2HG GLU 57 1HG GLU 57 -1.326 12.038 -0.392 396 H MET 58 H MET 58 -4.871 12.255 -2.738 397 HA MET 58 HA MET 58 -5.350 9.812 -1.386 398 1HB MET 58 2HB MET 58 -7.255 11.251 -3.237 399 2HB MET 58 1HB MET 58 -7.643 10.200 -1.873 400 1HG MET 58 2HG MET 58 -6.768 11.814 -0.288 401 2HG MET 58 1HG MET 58 -6.125 12.836 -1.581 402 1HE MET 58 1HE MET 58 -10.456 12.040 -0.395 403 2HE MET 58 2HE MET 58 -9.025 11.042 -0.148 404 3HE MET 58 3HE MET 58 -9.831 11.041 -1.714 405 H LYS 59 H LYS 59 -5.889 10.718 -4.790 406 HA LYS 59 HA LYS 59 -6.500 8.241 -5.858 407 1HB LYS 59 2HB LYS 59 -4.838 10.480 -7.040 408 2HB LYS 59 1HB LYS 59 -5.399 9.093 -7.968 409 1HG LYS 59 2HG LYS 59 -7.433 10.653 -6.390 410 2HG LYS 59 1HG LYS 59 -6.816 11.359 -7.880 411 1HD LYS 59 2HD LYS 59 -7.442 9.283 -9.095 412 2HD LYS 59 1HD LYS 59 -8.117 8.633 -7.600 413 1HE LYS 59 2HE LYS 59 -9.827 10.272 -7.527 414 2HE LYS 59 1HE LYS 59 -9.007 11.300 -8.703 415 1HZ LYS 59 1HZ LYS 59 -10.803 10.157 -9.769 416 2HZ LYS 59 2HZ LYS 59 -10.245 8.651 -9.217 417 3HZ LYS 59 3HZ LYS 59 -9.343 9.528 -10.358 418 H ASP 60 H ASP 60 -3.385 9.598 -4.982 419 HA ASP 60 HA ASP 60 -1.865 7.369 -6.015 420 1HB ASP 60 2HB ASP 60 -0.987 9.689 -5.932 421 2HB ASP 60 1HB ASP 60 -0.995 9.601 -4.171 422 H PHE 61 H PHE 61 -3.050 8.439 -2.853 423 HA PHE 61 HA PHE 61 -1.651 6.351 -1.430 424 1HB PHE 61 2HB PHE 61 -2.079 8.058 0.090 425 2HB PHE 61 1HB PHE 61 -3.603 8.497 -0.669 426 HD1 PHE 61 1HD PHE 61 -5.249 8.347 1.028 427 HD2 PHE 61 2HD PHE 61 -2.394 5.181 0.583 428 HE1 PHE 61 1HE PHE 61 -6.520 6.987 2.655 429 HE2 PHE 61 2HE PHE 61 -3.662 3.814 2.222 430 HZ PHE 61 HZ PHE 61 -5.727 4.716 3.254 431 H ARG 62 H ARG 62 -5.106 7.021 -2.031 432 HA ARG 62 HA ARG 62 -6.204 4.666 -1.202 433 1HB ARG 62 2HB ARG 62 -6.998 6.019 -3.793 434 2HB ARG 62 1HB ARG 62 -8.018 5.023 -2.761 435 1HG ARG 62 2HG ARG 62 -6.738 7.511 -1.632 436 2HG ARG 62 1HG ARG 62 -8.194 7.641 -2.604 437 1HD ARG 62 2HD ARG 62 -8.123 5.655 -0.354 438 2HD ARG 62 1HD ARG 62 -8.351 7.363 0.008 439 HE ARG 62 HE ARG 62 -10.113 6.458 -2.071 440 1HH1 ARG 62 1HH2 ARG 62 -9.546 6.537 1.343 441 2HH1 ARG 62 2HH2 ARG 62 -11.223 6.428 1.763 442 1HH2 ARG 62 1HH1 ARG 62 -12.315 6.314 -1.525 443 2HH2 ARG 62 2HH1 ARG 62 -12.789 6.302 0.142 444 H HIS 63 H HIS 63 -4.661 5.265 -4.361 445 HA HIS 63 HA HIS 63 -4.998 2.491 -5.129 446 1HB HIS 63 2HB HIS 63 -4.947 4.521 -6.697 447 2HB HIS 63 1HB HIS 63 -3.201 4.492 -6.481 448 HD1 HIS 63 1HD HIS 63 -4.637 1.141 -6.362 449 HD2 HIS 63 2HD HIS 63 -3.284 3.702 -9.354 450 HE1 HIS 63 1HE HIS 63 -4.279 -0.291 -8.418 451 HE2 HIS 63 2HE HIS 63 -3.457 1.258 -10.254 452 H GLY 64 H GLY 64 -2.193 4.600 -4.538 453 1HA GLY 64 2HA GLY 64 -0.121 2.868 -4.730 454 2HA GLY 64 1HA GLY 64 -0.167 4.119 -3.506 455 H PHE 65 H PHE 65 -2.363 3.056 -1.943 456 HA PHE 65 HA PHE 65 -0.837 1.009 -0.545 457 1HB PHE 65 2HB PHE 65 -1.891 1.843 1.278 458 2HB PHE 65 1HB PHE 65 -2.800 2.934 0.250 459 HD1 PHE 65 1HD PHE 65 -4.804 1.652 -1.071 460 HD2 PHE 65 2HD PHE 65 -3.142 0.448 2.682 461 HE1 PHE 65 1HE PHE 65 -6.861 0.431 -0.588 462 HE2 PHE 65 2HE PHE 65 -5.232 -0.791 3.187 463 HZ PHE 65 HZ PHE 65 -7.086 -0.790 1.537 464 H ASP 66 H ASP 66 -3.475 1.219 -2.762 465 HA ASP 66 HA ASP 66 -4.488 -1.424 -2.330 466 1HB ASP 66 2HB ASP 66 -5.748 0.468 -3.449 467 2HB ASP 66 1HB ASP 66 -4.698 0.245 -4.847 468 H ILE 67 H ILE 67 -1.960 0.090 -4.161 469 HA ILE 67 HA ILE 67 -1.356 -2.165 -5.860 470 HB ILE 67 HB ILE 67 0.150 0.388 -5.202 471 1HG1 ILE 67 2HG1 ILE 67 -1.434 -0.468 -7.646 472 2HG1 ILE 67 1HG1 ILE 67 -2.015 0.616 -6.384 473 1HG2 ILE 67 1HG2 ILE 67 0.713 -1.799 -7.238 474 2HG2 ILE 67 2HG2 ILE 67 1.763 -1.287 -5.917 475 3HG2 ILE 67 3HG2 ILE 67 1.472 -0.207 -7.275 476 1HD1 ILE 67 1HD1 ILE 67 -1.221 2.083 -8.058 477 2HD1 ILE 67 2HD1 ILE 67 0.193 1.082 -8.383 478 3HD1 ILE 67 3HD1 ILE 67 0.103 2.021 -6.895 479 H LEU 68 H LEU 68 0.187 -0.594 -3.091 480 HA LEU 68 HA LEU 68 2.302 -2.428 -2.822 481 1HB LEU 68 2HB LEU 68 1.134 -0.240 -1.231 482 2HB LEU 68 1HB LEU 68 1.974 -1.458 -0.271 483 HG LEU 68 HG LEU 68 3.956 -1.221 -1.820 484 1HD1 LEU 68 1HD1 LEU 68 4.067 0.609 -3.378 485 2HD1 LEU 68 2HD1 LEU 68 2.510 1.239 -2.835 486 3HD1 LEU 68 3HD1 LEU 68 2.585 -0.281 -3.726 487 1HD2 LEU 68 1HD2 LEU 68 2.998 1.245 -0.347 488 2HD2 LEU 68 2HD2 LEU 68 4.624 1.061 -0.996 489 3HD2 LEU 68 3HD2 LEU 68 4.053 -0.031 0.263 490 H VAL 69 H VAL 69 -1.013 -2.558 -1.583 491 HA VAL 69 HA VAL 69 -0.379 -4.857 0.098 492 HB VAL 69 HB VAL 69 -2.681 -4.849 0.756 493 1HG1 VAL 69 1HG1 VAL 69 -2.930 -2.128 1.025 494 2HG1 VAL 69 2HG1 VAL 69 -1.208 -2.258 0.674 495 3HG1 VAL 69 3HG1 VAL 69 -1.889 -3.120 2.048 496 1HG2 VAL 69 1HG2 VAL 69 -3.045 -3.143 -1.698 497 2HG2 VAL 69 2HG2 VAL 69 -4.230 -3.117 -0.393 498 3HG2 VAL 69 3HG2 VAL 69 -3.891 -4.622 -1.247 499 H GLY 70 H GLY 70 -1.568 -4.223 -3.089 500 1HA GLY 70 2HA GLY 70 -2.784 -6.777 -3.525 501 2HA GLY 70 1HA GLY 70 -2.354 -5.602 -4.765 502 H GLN 71 H GLN 71 0.461 -5.510 -3.720 503 HA GLN 71 HA GLN 71 1.433 -7.797 -5.254 504 1HB GLN 71 2HB GLN 71 3.589 -6.652 -5.080 505 2HB GLN 71 1HB GLN 71 2.354 -5.585 -5.722 506 1HG GLN 71 2HG GLN 71 2.009 -4.678 -3.429 507 2HG GLN 71 1HG GLN 71 3.349 -5.648 -2.868 508 1HE2 GLN 71 1HE2 GLN 71 2.705 -3.356 -5.528 509 2HE2 GLN 71 2HE2 GLN 71 4.186 -2.556 -5.396 510 H ILE 72 H ILE 72 1.556 -6.499 -1.961 511 HA ILE 72 HA ILE 72 3.437 -8.278 -0.883 512 HB ILE 72 HB ILE 72 1.294 -6.482 0.139 513 1HG1 ILE 72 2HG1 ILE 72 4.002 -6.931 1.378 514 2HG1 ILE 72 1HG1 ILE 72 3.876 -6.087 -0.157 515 1HG2 ILE 72 1HG2 ILE 72 2.386 -8.746 1.832 516 2HG2 ILE 72 2HG2 ILE 72 0.693 -8.419 1.459 517 3HG2 ILE 72 3HG2 ILE 72 1.596 -7.311 2.492 518 1HD1 ILE 72 1HD1 ILE 72 2.726 -4.294 0.757 519 2HD1 ILE 72 2HD1 ILE 72 3.798 -4.736 2.061 520 3HD1 ILE 72 3HD1 ILE 72 2.114 -5.235 2.112 521 H ASP 73 H ASP 73 -0.025 -8.559 -1.459 522 HA ASP 73 HA ASP 73 -0.273 -11.146 -0.212 523 1HB ASP 73 2HB ASP 73 -2.198 -9.588 -0.509 524 2HB ASP 73 1HB ASP 73 -2.081 -9.821 -2.253 525 H ASP 74 H ASP 74 0.114 -9.933 -3.518 526 HA ASP 74 HA ASP 74 -0.048 -12.375 -4.870 527 1HB ASP 74 2HB ASP 74 -0.032 -9.982 -5.833 528 2HB ASP 74 1HB ASP 74 1.725 -10.102 -5.741 529 H ALA 75 H ALA 75 2.433 -10.899 -2.980 530 HA ALA 75 HA ALA 75 4.598 -12.452 -4.020 531 1HB ALA 75 1HB ALA 75 4.234 -10.739 -1.575 532 2HB ALA 75 2HB ALA 75 5.243 -10.436 -2.987 533 3HB ALA 75 3HB ALA 75 5.704 -11.680 -1.826 534 H LEU 76 H LEU 76 3.142 -12.485 -0.739 535 HA LEU 76 HA LEU 76 4.185 -14.927 0.053 536 1HB LEU 76 2HB LEU 76 2.850 -13.303 1.492 537 2HB LEU 76 1HB LEU 76 1.403 -14.041 0.809 538 HG LEU 76 HG LEU 76 2.631 -16.330 1.526 539 1HD1 LEU 76 1HD1 LEU 76 4.690 -15.251 2.310 540 2HD1 LEU 76 2HD1 LEU 76 3.848 -15.995 3.667 541 3HD1 LEU 76 3HD1 LEU 76 3.768 -14.250 3.431 542 1HD2 LEU 76 1HD2 LEU 76 0.446 -15.629 2.378 543 2HD2 LEU 76 2HD2 LEU 76 1.202 -14.443 3.442 544 3HD2 LEU 76 3HD2 LEU 76 1.446 -16.166 3.728 545 H LYS 77 H LYS 77 0.924 -14.400 -1.397 546 HA LYS 77 HA LYS 77 0.098 -17.022 -1.484 547 1HB LYS 77 2HB LYS 77 -1.509 -16.374 -3.039 548 2HB LYS 77 1HB LYS 77 -1.089 -14.881 -2.265 549 1HG LYS 77 2HG LYS 77 -1.134 -14.339 -4.542 550 2HG LYS 77 1HG LYS 77 0.566 -14.448 -4.126 551 1HD LYS 77 2HD LYS 77 -0.382 -15.528 -6.361 552 2HD LYS 77 1HD LYS 77 0.907 -16.300 -5.472 553 1HE LYS 77 2HE LYS 77 -0.884 -17.888 -6.181 554 2HE LYS 77 1HE LYS 77 -0.709 -17.845 -4.430 555 1HZ LYS 77 1HZ LYS 77 -2.868 -17.387 -4.375 556 2HZ LYS 77 2HZ LYS 77 -2.942 -17.114 -6.050 557 3HZ LYS 77 3HZ LYS 77 -2.498 -15.854 -4.999 558 H LEU 78 H LEU 78 2.591 -15.526 -3.397 559 HA LEU 78 HA LEU 78 2.874 -17.668 -5.272 560 1HB LEU 78 2HB LEU 78 3.807 -15.191 -5.314 561 2HB LEU 78 1HB LEU 78 5.178 -15.907 -4.478 562 HG LEU 78 HG LEU 78 5.667 -15.948 -6.836 563 1HD1 LEU 78 1HD1 LEU 78 6.162 -17.997 -5.405 564 2HD1 LEU 78 2HD1 LEU 78 6.132 -18.263 -7.148 565 3HD1 LEU 78 3HD1 LEU 78 4.756 -18.750 -6.160 566 1HD2 LEU 78 1HD2 LEU 78 3.327 -17.697 -7.531 567 2HD2 LEU 78 2HD2 LEU 78 4.201 -16.536 -8.524 568 3HD2 LEU 78 3HD2 LEU 78 3.025 -15.968 -7.346 569 H ALA 79 H ALA 79 4.890 -16.699 -2.484 570 HA ALA 79 HA ALA 79 6.474 -19.043 -2.372 571 1HB ALA 79 1HB ALA 79 5.670 -17.137 -0.151 572 2HB ALA 79 2HB ALA 79 7.072 -16.959 -1.204 573 3HB ALA 79 3HB ALA 79 6.985 -18.306 -0.072 574 H ASN 80 H ASN 80 3.311 -18.269 -1.116 575 HA ASN 80 HA ASN 80 3.101 -20.432 0.708 576 1HB ASN 80 2HB ASN 80 1.696 -18.277 0.645 577 2HB ASN 80 1HB ASN 80 0.775 -19.064 -0.632 578 1HD2 ASN 80 1HD2 ASN 80 -0.273 -18.388 2.031 579 2HD2 ASN 80 2HD2 ASN 80 -0.704 -19.854 2.769 580 H GLU 81 H GLU 81 2.759 -19.990 -2.683 581 HA GLU 81 HA GLU 81 1.158 -22.345 -3.155 582 1HB GLU 81 2HB GLU 81 1.100 -20.303 -4.617 583 2HB GLU 81 1HB GLU 81 2.723 -20.723 -5.165 584 1HG GLU 81 2HG GLU 81 1.929 -22.877 -5.992 585 2HG GLU 81 1HG GLU 81 0.315 -22.551 -5.364 586 H GLY 82 H GLY 82 4.579 -21.421 -3.830 587 1HA GLY 82 2HA GLY 82 5.280 -24.268 -3.592 588 2HA GLY 82 1HA GLY 82 5.670 -23.439 -5.091 589 H LYS 83 H LYS 83 7.312 -21.864 -5.105 590 HA LYS 83 HA LYS 83 9.199 -22.144 -2.856 591 1HB LYS 83 2HB LYS 83 9.862 -22.996 -5.078 592 2HB LYS 83 1HB LYS 83 9.710 -21.376 -5.726 593 1HG LYS 83 2HG LYS 83 12.016 -21.580 -5.302 594 2HG LYS 83 1HG LYS 83 11.433 -20.682 -3.916 595 1HD LYS 83 2HD LYS 83 12.968 -22.432 -3.186 596 2HD LYS 83 1HD LYS 83 11.355 -22.797 -2.602 597 1HE LYS 83 2HE LYS 83 11.116 -24.628 -4.013 598 2HE LYS 83 1HE LYS 83 12.163 -23.937 -5.255 599 1HZ LYS 83 1HZ LYS 83 13.173 -24.820 -2.615 600 2HZ LYS 83 2HZ LYS 83 14.071 -24.460 -4.012 601 3HZ LYS 83 3HZ LYS 83 13.100 -25.853 -3.958 602 H VAL 84 H VAL 84 10.266 -20.533 -1.929 603 HA VAL 84 HA VAL 84 9.088 -17.923 -1.877 604 HB VAL 84 HB VAL 84 11.626 -19.041 -0.658 605 1HG1 VAL 84 1HG1 VAL 84 11.380 -16.973 0.835 606 2HG1 VAL 84 2HG1 VAL 84 10.281 -16.346 -0.393 607 3HG1 VAL 84 3HG1 VAL 84 11.962 -16.689 -0.805 608 1HG2 VAL 84 1HG2 VAL 84 10.386 -19.377 1.308 609 2HG2 VAL 84 2HG2 VAL 84 9.232 -19.843 0.059 610 3HG2 VAL 84 3HG2 VAL 84 9.117 -18.257 0.819 611 H LYS 85 H LYS 85 12.147 -19.287 -3.056 612 HA LYS 85 HA LYS 85 13.478 -17.039 -3.906 613 1HB LYS 85 2HB LYS 85 13.310 -19.629 -5.462 614 2HB LYS 85 1HB LYS 85 14.615 -18.445 -5.518 615 1HG LYS 85 2HG LYS 85 14.974 -18.839 -3.054 616 2HG LYS 85 1HG LYS 85 13.810 -20.160 -3.154 617 1HD LYS 85 2HD LYS 85 15.198 -21.303 -4.813 618 2HD LYS 85 1HD LYS 85 16.338 -19.958 -4.817 619 1HE LYS 85 2HE LYS 85 15.688 -21.717 -2.433 620 2HE LYS 85 1HE LYS 85 17.167 -21.784 -3.391 621 1HZ LYS 85 1HZ LYS 85 17.604 -19.474 -2.773 622 2HZ LYS 85 2HZ LYS 85 17.513 -20.482 -1.409 623 3HZ LYS 85 3HZ LYS 85 16.213 -19.462 -1.804 624 H GLU 86 H GLU 86 10.731 -18.640 -5.390 625 HA GLU 86 HA GLU 86 10.828 -17.063 -7.816 626 1HB GLU 86 2HB GLU 86 8.591 -18.753 -6.659 627 2HB GLU 86 1HB GLU 86 8.628 -18.073 -8.287 628 1HG GLU 86 2HG GLU 86 10.542 -19.397 -8.883 629 2HG GLU 86 1HG GLU 86 10.768 -19.912 -7.213 630 H ALA 87 H ALA 87 9.453 -16.897 -4.675 631 HA ALA 87 HA ALA 87 7.631 -14.718 -5.272 632 1HB ALA 87 1HB ALA 87 7.252 -16.484 -3.477 633 2HB ALA 87 2HB ALA 87 7.023 -14.809 -2.972 634 3HB ALA 87 3HB ALA 87 8.503 -15.665 -2.540 635 H GLN 88 H GLN 88 10.663 -15.153 -3.431 636 HA GLN 88 HA GLN 88 11.032 -12.498 -2.664 637 1HB GLN 88 2HB GLN 88 13.106 -13.180 -1.940 638 2HB GLN 88 1HB GLN 88 12.425 -14.771 -2.240 639 1HG GLN 88 2HG GLN 88 14.485 -14.905 -3.338 640 2HG GLN 88 1HG GLN 88 13.407 -14.460 -4.649 641 1HE2 GLN 88 1HE2 GLN 88 13.220 -11.695 -3.326 642 2HE2 GLN 88 2HE2 GLN 88 14.630 -10.903 -3.825 643 H ALA 89 H ALA 89 11.645 -14.115 -5.718 644 HA ALA 89 HA ALA 89 12.923 -11.869 -6.971 645 1HB ALA 89 1HB ALA 89 11.486 -14.244 -8.195 646 2HB ALA 89 2HB ALA 89 13.212 -14.165 -7.837 647 3HB ALA 89 3HB ALA 89 12.516 -13.109 -9.066 648 H ALA 90 H ALA 90 9.671 -13.182 -6.663 649 HA ALA 90 HA ALA 90 8.363 -11.380 -8.420 650 1HB ALA 90 1HB ALA 90 6.345 -12.146 -7.464 651 2HB ALA 90 2HB ALA 90 7.111 -12.506 -5.917 652 3HB ALA 90 3HB ALA 90 7.438 -13.522 -7.321 653 H ALA 91 H ALA 91 9.760 -11.039 -5.303 654 HA ALA 91 HA ALA 91 8.239 -8.772 -4.441 655 1HB ALA 91 1HB ALA 91 9.628 -8.737 -2.559 656 2HB ALA 91 2HB ALA 91 10.989 -9.439 -3.433 657 3HB ALA 91 3HB ALA 91 9.602 -10.441 -3.008 658 H GLU 92 H GLU 92 11.274 -9.277 -6.136 659 HA GLU 92 HA GLU 92 12.250 -6.633 -6.014 660 1HB GLU 92 2HB GLU 92 12.722 -8.596 -8.259 661 2HB GLU 92 1HB GLU 92 13.778 -7.284 -7.733 662 1HG GLU 92 2HG GLU 92 14.041 -8.387 -5.537 663 2HG GLU 92 1HG GLU 92 13.017 -9.709 -6.088 664 H GLN 93 H GLN 93 10.310 -8.281 -8.530 665 HA GLN 93 HA GLN 93 10.203 -6.154 -10.332 666 1HB GLN 93 2HB GLN 93 7.935 -7.159 -10.996 667 2HB GLN 93 1HB GLN 93 9.347 -8.206 -11.117 668 1HG GLN 93 2HG GLN 93 8.817 -9.164 -8.904 669 2HG GLN 93 1HG GLN 93 7.400 -8.131 -8.807 670 1HE2 GLN 93 1HE2 GLN 93 5.561 -8.641 -10.184 671 2HE2 GLN 93 2HE2 GLN 93 5.455 -10.124 -11.002 672 H LEU 94 H LEU 94 9.026 -6.281 -7.180 673 HA LEU 94 HA LEU 94 6.827 -4.400 -7.579 674 1HB LEU 94 2HB LEU 94 8.097 -5.122 -4.932 675 2HB LEU 94 1HB LEU 94 6.495 -4.465 -5.232 676 HG LEU 94 HG LEU 94 7.483 -7.234 -5.952 677 1HD1 LEU 94 1HD1 LEU 94 6.880 -7.112 -3.635 678 2HD1 LEU 94 2HD1 LEU 94 5.495 -7.830 -4.451 679 3HD1 LEU 94 3HD1 LEU 94 5.461 -6.133 -3.977 680 1HD2 LEU 94 1HD2 LEU 94 5.026 -7.496 -6.678 681 2HD2 LEU 94 2HD2 LEU 94 6.069 -6.580 -7.757 682 3HD2 LEU 94 3HD2 LEU 94 4.959 -5.733 -6.688 683 H LYS 95 H LYS 95 10.052 -4.441 -6.104 684 HA LYS 95 HA LYS 95 10.292 -1.858 -5.223 685 1HB LYS 95 2HB LYS 95 12.369 -3.450 -6.756 686 2HB LYS 95 1HB LYS 95 12.712 -1.977 -5.860 687 1HG LYS 95 2HG LYS 95 11.626 -4.550 -4.647 688 2HG LYS 95 1HG LYS 95 13.291 -4.013 -4.573 689 1HD LYS 95 2HD LYS 95 12.758 -2.947 -2.637 690 2HD LYS 95 1HD LYS 95 11.873 -1.788 -3.612 691 1HE LYS 95 2HE LYS 95 10.816 -4.199 -2.133 692 2HE LYS 95 1HE LYS 95 10.309 -2.519 -1.996 693 1HZ LYS 95 1HZ LYS 95 9.189 -2.609 -4.011 694 2HZ LYS 95 2HZ LYS 95 8.823 -4.101 -3.287 695 3HZ LYS 95 3HZ LYS 95 9.985 -4.015 -4.521 696 H THR 96 H THR 96 10.455 -3.048 -8.523 697 HA THR 96 HA THR 96 11.066 -0.497 -9.691 698 HB THR 96 HB THR 96 9.738 -2.806 -11.087 699 HG1 THR 96 1HG THR 96 11.502 -3.911 -10.881 700 1HG2 THR 96 1HG2 THR 96 10.030 -0.654 -12.302 701 2HG2 THR 96 2HG2 THR 96 10.972 -1.963 -13.016 702 3HG2 THR 96 3HG2 THR 96 11.766 -0.753 -12.006 703 H THR 97 H THR 97 8.111 -2.373 -9.125 704 HA THR 97 HA THR 97 6.322 -0.743 -10.555 705 HB THR 97 HB THR 97 5.747 -2.291 -8.019 706 HG1 THR 97 1HG THR 97 6.096 -3.021 -10.703 707 1HG2 THR 97 1HG2 THR 97 3.931 -0.806 -8.633 708 2HG2 THR 97 2HG2 THR 97 3.476 -2.454 -9.065 709 3HG2 THR 97 3HG2 THR 97 4.018 -1.334 -10.313 710 H ILE 98 H ILE 98 7.108 -0.709 -7.060 711 HA ILE 98 HA ILE 98 5.565 1.601 -6.529 712 HB ILE 98 HB ILE 98 6.498 1.593 -4.375 713 1HG1 ILE 98 2HG1 ILE 98 8.902 0.146 -5.543 714 2HG1 ILE 98 1HG1 ILE 98 8.891 1.826 -4.985 715 1HG2 ILE 98 1HG2 ILE 98 6.393 -0.704 -3.691 716 2HG2 ILE 98 2HG2 ILE 98 6.916 -1.267 -5.278 717 3HG2 ILE 98 3HG2 ILE 98 5.316 -0.548 -5.081 718 1HD1 ILE 98 1HD1 ILE 98 8.545 -0.693 -3.332 719 2HD1 ILE 98 2HD1 ILE 98 8.162 0.913 -2.716 720 3HD1 ILE 98 3HD1 ILE 98 9.814 0.526 -3.197 721 H ARG 99 H ARG 99 8.757 1.086 -7.848 722 HA ARG 99 HA ARG 99 9.736 3.668 -7.279 723 1HB ARG 99 2HB ARG 99 11.221 1.819 -8.004 724 2HB ARG 99 1HB ARG 99 10.493 1.883 -9.606 725 1HG ARG 99 2HG ARG 99 12.627 3.139 -9.522 726 2HG ARG 99 1HG ARG 99 11.266 4.190 -9.901 727 1HD ARG 99 2HD ARG 99 11.434 5.336 -7.908 728 2HD ARG 99 1HD ARG 99 11.923 3.911 -6.999 729 HE ARG 99 HE ARG 99 13.966 4.743 -8.829 730 1HH1 ARG 99 1HH2 ARG 99 12.454 5.416 -5.789 731 2HH1 ARG 99 2HH2 ARG 99 13.861 6.148 -5.096 732 1HH2 ARG 99 1HH1 ARG 99 15.814 5.700 -7.924 733 2HH2 ARG 99 2HH1 ARG 99 15.763 6.309 -6.303 734 H ALA 100 H ALA 100 7.406 2.517 -9.465 735 HA ALA 100 HA ALA 100 7.554 4.769 -11.287 736 1HB ALA 100 1HB ALA 100 5.437 3.926 -12.160 737 2HB ALA 100 2HB ALA 100 5.245 2.858 -10.770 738 3HB ALA 100 3HB ALA 100 6.533 2.561 -11.939 739 H TYR 101 H TYR 101 5.695 3.777 -8.425 740 HA TYR 101 HA TYR 101 4.177 6.225 -8.377 741 1HB TYR 101 2HB TYR 101 2.936 4.696 -7.197 742 2HB TYR 101 1HB TYR 101 4.350 3.756 -6.739 743 HD1 TYR 101 1HD TYR 101 2.734 7.096 -6.030 744 HD2 TYR 101 2HD TYR 101 5.046 3.802 -4.505 745 HE1 TYR 101 1HE TYR 101 2.686 8.103 -3.768 746 HE2 TYR 101 2HE TYR 101 4.988 4.814 -2.244 747 HH TYR 101 HH TYR 101 3.332 7.919 -1.659 748 H ASN 102 H ASN 102 7.066 4.968 -6.753 749 HA ASN 102 HA ASN 102 7.426 7.212 -5.040 750 1HB ASN 102 2HB ASN 102 8.569 4.790 -5.076 751 2HB ASN 102 1HB ASN 102 9.789 5.634 -6.024 752 1HD2 ASN 102 1HD2 ASN 102 8.260 5.480 -2.837 753 2HD2 ASN 102 2HD2 ASN 102 9.415 6.439 -2.049 754 H GLN 103 H GLN 103 8.815 6.374 -8.211 755 HA GLN 103 HA GLN 103 10.303 8.801 -8.422 756 1HB GLN 103 2HB GLN 103 10.794 6.703 -9.703 757 2HB GLN 103 1HB GLN 103 9.332 7.019 -10.640 758 1HG GLN 103 2HG GLN 103 10.222 8.974 -11.613 759 2HG GLN 103 1HG GLN 103 11.486 9.116 -10.392 760 1HE2 GLN 103 1HE2 GLN 103 10.469 6.365 -12.509 761 2HE2 GLN 103 2HE2 GLN 103 12.022 6.098 -13.138 762 H LYS 104 H LYS 104 7.189 7.695 -9.748 763 HA LYS 104 HA LYS 104 6.631 9.896 -11.354 764 1HB LYS 104 2HB LYS 104 5.110 8.044 -11.455 765 2HB LYS 104 1HB LYS 104 4.713 8.201 -9.742 766 1HG LYS 104 2HG LYS 104 3.314 10.037 -10.072 767 2HG LYS 104 1HG LYS 104 4.225 10.606 -11.469 768 1HD LYS 104 2HD LYS 104 3.272 8.861 -12.872 769 2HD LYS 104 1HD LYS 104 2.476 8.127 -11.479 770 1HE LYS 104 2HE LYS 104 1.068 10.079 -11.180 771 2HE LYS 104 1HE LYS 104 1.946 10.954 -12.436 772 1HZ LYS 104 1HZ LYS 104 0.381 10.157 -13.790 773 2HZ LYS 104 2HZ LYS 104 -0.128 8.974 -12.683 774 3HZ LYS 104 3HZ LYS 104 1.209 8.680 -13.690 775 H TYR 105 H TYR 105 5.667 9.363 -8.003 776 HA TYR 105 HA TYR 105 4.814 12.115 -7.700 777 1HB TYR 105 2HB TYR 105 4.735 9.681 -5.920 778 2HB TYR 105 1HB TYR 105 4.104 11.259 -5.456 779 HD1 TYR 105 1HD TYR 105 2.221 12.221 -6.621 780 HD2 TYR 105 2HD TYR 105 3.627 8.354 -7.674 781 HE1 TYR 105 1HE TYR 105 0.149 11.823 -7.923 782 HE2 TYR 105 2HE TYR 105 1.556 7.912 -8.942 783 HH TYR 105 HH TYR 105 -1.026 9.065 -8.687 784 H GLY 106 H GLY 106 7.649 10.255 -7.023 785 1HA GLY 106 2HA GLY 106 8.541 12.250 -5.012 786 2HA GLY 106 1HA GLY 106 9.214 10.655 -5.203 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 0.345 -43.128 9.397 2 2H ALA 1 2HT ALA 1 -0.346 -41.657 9.894 3 3H ALA 1 3HT ALA 1 0.812 -41.678 8.650 4 HA ALA 1 HA ALA 1 -0.905 -41.680 7.252 5 1HB ALA 1 1HB ALA 1 -1.872 -43.935 6.854 6 2HB ALA 1 2HB ALA 1 -1.175 -44.483 8.379 7 3HB ALA 1 3HB ALA 1 -0.120 -43.995 7.054 8 H ASP 2 H ASP 2 -3.155 -41.401 6.982 9 HA ASP 2 HA ASP 2 -4.580 -40.794 9.429 10 1HB ASP 2 2HB ASP 2 -6.434 -40.256 7.639 11 2HB ASP 2 1HB ASP 2 -5.031 -39.204 7.790 12 H LEU 3 H LEU 3 -6.469 -41.742 10.151 13 HA LEU 3 HA LEU 3 -6.892 -44.522 9.273 14 1HB LEU 3 2HB LEU 3 -8.333 -43.340 11.628 15 2HB LEU 3 1HB LEU 3 -7.693 -44.967 11.404 16 HG LEU 3 HG LEU 3 -6.048 -42.465 11.880 17 1HD1 LEU 3 1HD1 LEU 3 -6.602 -44.863 13.649 18 2HD1 LEU 3 2HD1 LEU 3 -7.309 -43.260 13.855 19 3HD1 LEU 3 3HD1 LEU 3 -5.572 -43.491 14.056 20 1HD2 LEU 3 1HD2 LEU 3 -4.815 -44.038 10.491 21 2HD2 LEU 3 2HD2 LEU 3 -5.290 -45.384 11.526 22 3HD2 LEU 3 3HD2 LEU 3 -4.187 -44.149 12.135 23 H GLU 4 H GLU 4 -8.227 -41.391 8.999 24 HA GLU 4 HA GLU 4 -10.486 -42.409 7.498 25 1HB GLU 4 2HB GLU 4 -12.127 -41.126 8.957 26 2HB GLU 4 1HB GLU 4 -11.485 -42.617 9.646 27 1HG GLU 4 2HG GLU 4 -9.895 -41.401 10.991 28 2HG GLU 4 1HG GLU 4 -10.298 -39.884 10.186 29 H ASP 5 H ASP 5 -8.724 -41.008 6.249 30 HA ASP 5 HA ASP 5 -9.166 -38.136 6.479 31 1HB ASP 5 2HB ASP 5 -7.636 -38.106 4.438 32 2HB ASP 5 1HB ASP 5 -6.936 -38.734 5.928 33 H ASN 6 H ASN 6 -10.927 -37.246 5.618 34 HA ASN 6 HA ASN 6 -11.669 -37.806 2.876 35 1HB ASN 6 2HB ASN 6 -13.992 -38.434 3.403 36 2HB ASN 6 1HB ASN 6 -12.848 -39.614 4.039 37 1HD2 ASN 6 1HD2 ASN 6 -12.435 -39.578 6.400 38 2HD2 ASN 6 2HD2 ASN 6 -13.558 -38.856 7.450 39 H ASP 7 H ASP 7 -12.073 -35.879 2.033 40 HA ASP 7 HA ASP 7 -12.462 -33.599 1.938 41 1HB ASP 7 2HB ASP 7 -14.780 -33.029 2.513 42 2HB ASP 7 1HB ASP 7 -14.701 -34.569 1.658 43 H GLU 8 H GLU 8 -10.644 -33.282 3.519 44 HA GLU 8 HA GLU 8 -11.198 -32.813 6.273 45 1HB GLU 8 2HB GLU 8 -8.969 -31.716 6.285 46 2HB GLU 8 1HB GLU 8 -8.933 -33.307 5.520 47 1HG GLU 8 2HG GLU 8 -9.209 -32.156 3.295 48 2HG GLU 8 1HG GLU 8 -9.010 -30.617 4.129 49 H THR 9 H THR 9 -11.599 -30.890 7.368 50 HA THR 9 HA THR 9 -11.724 -28.366 5.920 51 HB THR 9 HB THR 9 -14.104 -27.981 6.584 52 HG1 THR 9 1HG THR 9 -14.839 -29.380 7.948 53 1HG2 THR 9 1HG2 THR 9 -15.030 -29.126 4.717 54 2HG2 THR 9 2HG2 THR 9 -13.867 -30.444 4.851 55 3HG2 THR 9 3HG2 THR 9 -13.339 -28.855 4.299 56 H GLY 10 H GLY 10 -13.558 -29.304 8.780 57 1HA GLY 10 2HA GLY 10 -12.377 -27.203 10.344 58 2HA GLY 10 1HA GLY 10 -13.546 -28.396 10.906 59 H ASN 11 H ASN 11 -11.728 -30.561 9.813 60 HA ASN 11 HA ASN 11 -10.159 -30.898 12.241 61 1HB ASN 11 2HB ASN 11 -10.678 -32.663 9.844 62 2HB ASN 11 1HB ASN 11 -9.612 -33.124 11.170 63 1HD2 ASN 11 1HD2 ASN 11 -12.415 -31.153 11.925 64 2HD2 ASN 11 2HD2 ASN 11 -13.321 -32.388 12.655 65 H ASP 12 H ASP 12 -8.423 -29.516 12.167 66 HA ASP 12 HA ASP 12 -6.821 -29.122 9.828 67 1HB ASP 12 2HB ASP 12 -6.197 -28.539 12.733 68 2HB ASP 12 1HB ASP 12 -5.307 -27.919 11.343 69 H ASN 13 H ASN 13 -4.539 -29.457 12.104 70 HA ASN 13 HA ASN 13 -4.113 -32.317 12.008 71 1HB ASN 13 2HB ASN 13 -3.343 -31.494 9.751 72 2HB ASN 13 1HB ASN 13 -2.120 -30.540 10.587 73 1HD2 ASN 13 1HD2 ASN 13 -0.957 -32.076 12.410 74 2HD2 ASN 13 2HD2 ASN 13 -0.415 -33.555 11.781 75 H GLY 14 H GLY 14 -2.380 -29.215 12.422 76 1HA GLY 14 2HA GLY 14 -2.009 -28.858 14.984 77 2HA GLY 14 1HA GLY 14 -1.013 -30.300 14.799 78 H LYS 15 H LYS 15 -1.383 -26.923 13.869 79 HA LYS 15 HA LYS 15 1.491 -26.622 13.682 80 1HB LYS 15 2HB LYS 15 1.275 -25.597 11.342 81 2HB LYS 15 1HB LYS 15 1.207 -27.357 11.444 82 1HG LYS 15 2HG LYS 15 -1.202 -27.341 11.323 83 2HG LYS 15 1HG LYS 15 -1.245 -25.582 11.419 84 1HD LYS 15 2HD LYS 15 -0.670 -25.304 9.202 85 2HD LYS 15 1HD LYS 15 0.426 -26.683 9.203 86 1HE LYS 15 2HE LYS 15 -1.544 -27.094 7.765 87 2HE LYS 15 1HE LYS 15 -1.474 -28.225 9.118 88 1HZ LYS 15 1HZ LYS 15 -3.259 -27.288 10.122 89 2HZ LYS 15 2HZ LYS 15 -3.658 -26.900 8.516 90 3HZ LYS 15 3HZ LYS 15 -2.941 -25.734 9.522 91 H GLY 16 H GLY 16 0.258 -25.403 15.561 92 1HA GLY 16 2HA GLY 16 -0.530 -22.696 14.626 93 2HA GLY 16 1HA GLY 16 -1.017 -23.420 16.156 94 H GLY 17 H GLY 17 2.222 -23.486 14.746 95 1HA GLY 17 2HA GLY 17 3.314 -22.322 17.199 96 2HA GLY 17 1HA GLY 17 4.230 -23.059 15.889 97 H GLU 18 H GLU 18 2.205 -21.193 14.245 98 HA GLU 18 HA GLU 18 2.384 -19.185 13.147 99 1HB GLU 18 2HB GLU 18 2.011 -18.375 15.521 100 2HB GLU 18 1HB GLU 18 3.759 -18.181 15.645 101 1HG GLU 18 2HG GLU 18 3.737 -16.658 13.709 102 2HG GLU 18 1HG GLU 18 1.990 -16.857 13.569 103 H LYS 19 H LYS 19 3.796 -18.127 11.791 104 HA LYS 19 HA LYS 19 6.591 -19.066 11.886 105 1HB LYS 19 2HB LYS 19 4.789 -19.195 9.825 106 2HB LYS 19 1HB LYS 19 5.571 -17.677 9.461 107 1HG LYS 19 2HG LYS 19 6.723 -19.496 8.304 108 2HG LYS 19 1HG LYS 19 7.785 -18.761 9.495 109 1HD LYS 19 2HD LYS 19 7.646 -21.392 9.275 110 2HD LYS 19 1HD LYS 19 7.778 -20.665 10.864 111 1HE LYS 19 2HE LYS 19 6.041 -22.464 10.722 112 2HE LYS 19 1HE LYS 19 5.367 -20.916 11.222 113 1HZ LYS 19 1HZ LYS 19 4.075 -20.889 9.435 114 2HZ LYS 19 2HZ LYS 19 4.587 -22.469 9.078 115 3HZ LYS 19 3HZ LYS 19 5.391 -21.138 8.394 116 H ALA 20 H ALA 20 8.206 -17.535 10.966 117 HA ALA 20 HA ALA 20 7.691 -14.703 11.250 118 1HB ALA 20 1HB ALA 20 7.978 -15.367 13.604 119 2HB ALA 20 2HB ALA 20 9.318 -14.359 13.059 120 3HB ALA 20 3HB ALA 20 9.530 -16.104 13.205 121 H ASP 21 H ASP 21 8.606 -16.456 9.163 122 HA ASP 21 HA ASP 21 11.086 -15.095 8.492 123 1HB ASP 21 2HB ASP 21 11.837 -17.077 9.773 124 2HB ASP 21 1HB ASP 21 11.004 -18.114 8.616 125 H ASN 22 H ASN 22 8.367 -17.121 7.587 126 HA ASN 22 HA ASN 22 9.076 -16.895 4.729 127 1HB ASN 22 2HB ASN 22 8.502 -19.134 5.484 128 2HB ASN 22 1HB ASN 22 7.006 -18.562 6.184 129 1HD2 ASN 22 1HD2 ASN 22 8.690 -19.087 3.083 130 2HD2 ASN 22 2HD2 ASN 22 7.277 -19.122 2.145 131 H ALA 23 H ALA 23 5.863 -17.435 5.430 132 HA ALA 23 HA ALA 23 4.928 -15.130 4.063 133 1HB ALA 23 1HB ALA 23 2.686 -15.939 5.029 134 2HB ALA 23 2HB ALA 23 3.617 -17.254 5.752 135 3HB ALA 23 3HB ALA 23 3.568 -17.067 3.998 136 H ALA 24 H ALA 24 5.414 -15.882 7.465 137 HA ALA 24 HA ALA 24 3.885 -13.766 8.559 138 1HB ALA 24 1HB ALA 24 4.525 -15.463 10.069 139 2HB ALA 24 2HB ALA 24 5.518 -14.082 10.534 140 3HB ALA 24 3HB ALA 24 6.214 -15.388 9.573 141 H GLN 25 H GLN 25 7.394 -14.033 7.977 142 HA GLN 25 HA GLN 25 8.138 -11.445 8.678 143 1HB GLN 25 2HB GLN 25 9.756 -13.175 8.290 144 2HB GLN 25 1HB GLN 25 9.227 -13.357 6.617 145 1HG GLN 25 2HG GLN 25 10.185 -11.317 5.956 146 2HG GLN 25 1HG GLN 25 10.248 -10.700 7.605 147 1HE2 GLN 25 1HE2 GLN 25 11.345 -14.004 6.782 148 2HE2 GLN 25 2HE2 GLN 25 12.987 -13.691 7.074 149 H VAL 26 H VAL 26 6.866 -12.734 5.651 150 HA VAL 26 HA VAL 26 7.244 -10.491 4.001 151 HB VAL 26 HB VAL 26 5.344 -12.822 4.019 152 1HG1 VAL 26 1HG1 VAL 26 4.527 -11.951 1.747 153 2HG1 VAL 26 2HG1 VAL 26 5.132 -10.375 2.260 154 3HG1 VAL 26 3HG1 VAL 26 3.855 -11.172 3.181 155 1HG2 VAL 26 1HG2 VAL 26 7.386 -11.792 2.032 156 2HG2 VAL 26 2HG2 VAL 26 6.459 -13.283 1.877 157 3HG2 VAL 26 3HG2 VAL 26 7.635 -13.110 3.180 158 H LYS 27 H LYS 27 4.179 -11.510 5.504 159 HA LYS 27 HA LYS 27 2.556 -9.424 5.099 160 1HB LYS 27 2HB LYS 27 2.975 -10.930 7.672 161 2HB LYS 27 1HB LYS 27 1.634 -9.813 7.416 162 1HG LYS 27 2HG LYS 27 0.756 -11.125 5.628 163 2HG LYS 27 1HG LYS 27 2.223 -12.096 5.526 164 1HD LYS 27 2HD LYS 27 0.391 -13.310 6.683 165 2HD LYS 27 1HD LYS 27 1.778 -13.049 7.739 166 1HE LYS 27 2HE LYS 27 -0.570 -12.533 8.696 167 2HE LYS 27 1HE LYS 27 0.694 -11.327 8.937 168 1HZ LYS 27 1HZ LYS 27 -0.122 -10.138 6.998 169 2HZ LYS 27 2HZ LYS 27 -1.350 -10.313 8.158 170 3HZ LYS 27 3HZ LYS 27 -1.339 -11.297 6.772 171 H ASP 28 H ASP 28 4.667 -9.496 7.983 172 HA ASP 28 HA ASP 28 4.197 -6.882 8.818 173 1HB ASP 28 2HB ASP 28 6.798 -8.415 9.050 174 2HB ASP 28 1HB ASP 28 6.290 -7.057 10.053 175 H ALA 29 H ALA 29 6.327 -8.116 6.323 176 HA ALA 29 HA ALA 29 7.779 -5.676 5.948 177 1HB ALA 29 1HB ALA 29 7.489 -7.840 3.876 178 2HB ALA 29 2HB ALA 29 8.494 -8.062 5.307 179 3HB ALA 29 3HB ALA 29 8.857 -6.765 4.169 180 H LEU 30 H LEU 30 4.676 -6.806 4.874 181 HA LEU 30 HA LEU 30 4.601 -5.065 2.548 182 1HB LEU 30 2HB LEU 30 2.333 -6.521 3.920 183 2HB LEU 30 1HB LEU 30 2.295 -5.799 2.315 184 HG LEU 30 HG LEU 30 4.166 -8.045 3.133 185 1HD1 LEU 30 1HD1 LEU 30 2.694 -9.536 1.973 186 2HD1 LEU 30 2HD1 LEU 30 1.703 -8.199 1.390 187 3HD1 LEU 30 3HD1 LEU 30 1.705 -8.614 3.102 188 1HD2 LEU 30 1HD2 LEU 30 4.233 -8.221 0.529 189 2HD2 LEU 30 2HD2 LEU 30 5.181 -6.957 1.301 190 3HD2 LEU 30 3HD2 LEU 30 3.631 -6.564 0.556 191 H THR 31 H THR 31 3.018 -5.132 5.749 192 HA THR 31 HA THR 31 1.655 -2.684 5.439 193 HB THR 31 HB THR 31 1.107 -4.243 7.238 194 HG1 THR 31 1HG THR 31 0.693 -2.680 8.647 195 1HG2 THR 31 1HG2 THR 31 3.467 -4.978 7.643 196 2HG2 THR 31 2HG2 THR 31 2.602 -4.572 9.126 197 3HG2 THR 31 3HG2 THR 31 3.764 -3.434 8.443 198 H LYS 32 H LYS 32 4.947 -3.486 6.136 199 HA LYS 32 HA LYS 32 5.929 -1.233 7.401 200 1HB LYS 32 2HB LYS 32 7.285 -3.228 6.791 201 2HB LYS 32 1HB LYS 32 7.250 -2.716 5.107 202 1HG LYS 32 2HG LYS 32 8.166 -0.628 7.037 203 2HG LYS 32 1HG LYS 32 9.237 -2.016 6.878 204 1HD LYS 32 2HD LYS 32 9.427 -1.686 4.489 205 2HD LYS 32 1HD LYS 32 8.198 -0.424 4.515 206 1HE LYS 32 2HE LYS 32 10.599 0.406 4.454 207 2HE LYS 32 1HE LYS 32 9.611 1.052 5.765 208 1HZ LYS 32 1HZ LYS 32 11.536 -1.201 5.953 209 2HZ LYS 32 2HZ LYS 32 10.526 -0.682 7.216 210 3HZ LYS 32 3HZ LYS 32 11.733 0.349 6.612 211 H MET 33 H MET 33 5.594 -1.746 3.887 212 HA MET 33 HA MET 33 6.259 0.905 3.142 213 1HB MET 33 2HB MET 33 4.637 -1.243 1.758 214 2HB MET 33 1HB MET 33 5.021 0.308 1.010 215 1HG MET 33 2HG MET 33 7.446 -0.154 1.394 216 2HG MET 33 1HG MET 33 7.012 -1.749 2.009 217 1HE MET 33 1HE MET 33 5.959 -3.826 -0.856 218 2HE MET 33 2HE MET 33 5.328 -3.280 0.696 219 3HE MET 33 3HE MET 33 7.014 -3.775 0.563 220 H ARG 34 H ARG 34 3.075 -0.712 3.260 221 HA ARG 34 HA ARG 34 1.295 1.242 2.814 222 1HB ARG 34 2HB ARG 34 0.877 -1.121 3.705 223 2HB ARG 34 1HB ARG 34 1.072 -0.432 5.315 224 1HG ARG 34 2HG ARG 34 -0.801 1.019 5.032 225 2HG ARG 34 1HG ARG 34 -0.886 0.687 3.301 226 1HD ARG 34 2HD ARG 34 -1.593 -1.572 3.681 227 2HD ARG 34 1HD ARG 34 -1.231 -1.465 5.402 228 HE ARG 34 HE ARG 34 -3.276 -0.391 5.710 229 1HH1 ARG 34 1HH2 ARG 34 -2.390 -0.487 2.366 230 2HH1 ARG 34 2HH2 ARG 34 -3.917 0.104 1.802 231 1HH2 ARG 34 1HH1 ARG 34 -5.281 0.385 4.976 232 2HH2 ARG 34 2HH1 ARG 34 -5.553 0.598 3.279 233 H ALA 35 H ALA 35 2.478 0.717 6.146 234 HA ALA 35 HA ALA 35 1.448 3.099 7.203 235 1HB ALA 35 1HB ALA 35 2.991 2.731 9.069 236 2HB ALA 35 2HB ALA 35 3.896 1.563 8.107 237 3HB ALA 35 3HB ALA 35 2.235 1.213 8.586 238 H ALA 36 H ALA 36 4.350 2.474 5.376 239 HA ALA 36 HA ALA 36 5.716 4.886 6.069 240 1HB ALA 36 1HB ALA 36 6.664 2.715 4.984 241 2HB ALA 36 2HB ALA 36 7.317 4.270 4.477 242 3HB ALA 36 3HB ALA 36 6.139 3.437 3.463 243 H ALA 37 H ALA 37 3.832 3.895 3.207 244 HA ALA 37 HA ALA 37 3.942 6.354 1.857 245 1HB ALA 37 1HB ALA 37 1.540 4.529 1.785 246 2HB ALA 37 2HB ALA 37 3.065 4.073 1.028 247 3HB ALA 37 3HB ALA 37 2.211 5.518 0.486 248 H LEU 38 H LEU 38 1.572 5.066 4.166 249 HA LEU 38 HA LEU 38 -0.150 7.324 4.143 250 1HB LEU 38 2HB LEU 38 -0.464 4.905 5.152 251 2HB LEU 38 1HB LEU 38 0.214 5.625 6.607 252 HG LEU 38 HG LEU 38 -2.175 6.749 5.107 253 1HD1 LEU 38 1HD1 LEU 38 -3.561 5.731 6.806 254 2HD1 LEU 38 2HD1 LEU 38 -2.143 5.142 7.676 255 3HD1 LEU 38 3HD1 LEU 38 -2.554 4.467 6.098 256 1HD2 LEU 38 1HD2 LEU 38 -0.802 7.395 7.726 257 2HD2 LEU 38 2HD2 LEU 38 -2.473 7.864 7.419 258 3HD2 LEU 38 3HD2 LEU 38 -1.181 8.487 6.394 259 H ASP 39 H ASP 39 2.229 6.342 6.601 260 HA ASP 39 HA ASP 39 2.193 8.601 8.186 261 1HB ASP 39 2HB ASP 39 3.422 6.594 8.797 262 2HB ASP 39 1HB ASP 39 4.539 6.833 7.455 263 H ALA 40 H ALA 40 4.373 7.978 5.434 264 HA ALA 40 HA ALA 40 5.674 10.460 5.479 265 1HB ALA 40 1HB ALA 40 6.588 9.870 3.399 266 2HB ALA 40 2HB ALA 40 5.184 8.900 2.955 267 3HB ALA 40 3HB ALA 40 6.298 8.327 4.196 268 H GLN 41 H GLN 41 2.716 9.467 3.795 269 HA GLN 41 HA GLN 41 2.382 11.604 2.101 270 1HB GLN 41 2HB GLN 41 0.648 10.167 1.714 271 2HB GLN 41 1HB GLN 41 0.615 9.629 3.383 272 1HG GLN 41 2HG GLN 41 -0.434 12.384 3.093 273 2HG GLN 41 1HG GLN 41 -1.305 11.248 2.154 274 1HE2 GLN 41 1HE2 GLN 41 0.226 10.741 5.350 275 2HE2 GLN 41 2HE2 GLN 41 -1.222 10.314 6.122 276 H LYS 42 H LYS 42 1.403 11.490 5.558 277 HA LYS 42 HA LYS 42 1.692 14.422 5.607 278 1HB LYS 42 2HB LYS 42 -0.897 12.962 5.801 279 2HB LYS 42 1HB LYS 42 -0.679 14.282 6.942 280 1HG LYS 42 2HG LYS 42 -0.140 15.813 5.081 281 2HG LYS 42 1HG LYS 42 -0.374 14.507 3.931 282 1HD LYS 42 2HD LYS 42 -2.477 15.691 5.768 283 2HD LYS 42 1HD LYS 42 -2.389 15.863 4.017 284 1HE LYS 42 2HE LYS 42 -3.955 14.154 4.214 285 2HE LYS 42 1HE LYS 42 -2.468 13.226 4.045 286 1HZ LYS 42 1HZ LYS 42 -2.842 13.898 6.752 287 2HZ LYS 42 2HZ LYS 42 -2.804 12.356 6.038 288 3HZ LYS 42 3HZ LYS 42 -4.273 13.200 6.164 289 H ALA 43 H ALA 43 3.410 12.761 6.743 290 HA ALA 43 HA ALA 43 3.117 13.498 9.553 291 1HB ALA 43 1HB ALA 43 2.256 10.992 8.991 292 2HB ALA 43 2HB ALA 43 3.018 11.421 10.520 293 3HB ALA 43 3HB ALA 43 3.967 10.660 9.247 294 H THR 44 H THR 44 5.156 11.533 7.366 295 HA THR 44 HA THR 44 7.538 12.866 8.505 296 HB THR 44 HB THR 44 7.300 10.218 7.076 297 HG1 THR 44 1HG THR 44 6.579 10.641 9.389 298 1HG2 THR 44 1HG2 THR 44 9.627 11.788 8.165 299 2HG2 THR 44 2HG2 THR 44 9.456 11.031 6.581 300 3HG2 THR 44 3HG2 THR 44 9.693 10.032 8.013 301 HA PRO 45 HA PRO 45 6.826 14.980 4.370 302 1HB PRO 45 2HB PRO 45 9.174 16.270 5.741 303 2HB PRO 45 1HB PRO 45 7.954 17.013 4.681 304 1HG PRO 45 2HG PRO 45 7.736 17.217 7.313 305 2HG PRO 45 1HG PRO 45 6.303 16.937 6.305 306 1HD PRO 45 2HD PRO 45 7.668 15.067 8.162 307 2HD PRO 45 1HD PRO 45 5.991 15.036 7.581 308 HA PRO 46 HA PRO 46 10.311 12.264 3.047 309 1HB PRO 46 2HB PRO 46 9.153 11.095 0.943 310 2HB PRO 46 1HB PRO 46 8.617 10.707 2.589 311 1HG PRO 46 2HG PRO 46 7.390 12.599 0.618 312 2HG PRO 46 1HG PRO 46 6.607 11.355 1.598 313 1HD PRO 46 2HD PRO 46 6.694 14.014 2.317 314 2HD PRO 46 1HD PRO 46 6.555 12.691 3.501 315 H LYS 47 H LYS 47 9.010 12.548 -0.080 316 HA LYS 47 HA LYS 47 11.274 14.004 -1.041 317 1HB LYS 47 2HB LYS 47 8.865 12.681 -2.223 318 2HB LYS 47 1HB LYS 47 9.669 13.897 -3.212 319 1HG LYS 47 2HG LYS 47 11.273 11.719 -1.872 320 2HG LYS 47 1HG LYS 47 10.448 11.409 -3.400 321 1HD LYS 47 2HD LYS 47 11.743 12.961 -4.580 322 2HD LYS 47 1HD LYS 47 12.166 13.867 -3.126 323 1HE LYS 47 2HE LYS 47 13.103 11.028 -3.619 324 2HE LYS 47 1HE LYS 47 14.035 12.439 -4.117 325 1HZ LYS 47 1HZ LYS 47 13.753 11.292 -1.531 326 2HZ LYS 47 2HZ LYS 47 13.307 12.932 -1.516 327 3HZ LYS 47 3HZ LYS 47 14.847 12.472 -2.068 328 H LEU 48 H LEU 48 8.183 14.842 0.096 329 HA LEU 48 HA LEU 48 7.933 17.313 -1.368 330 1HB LEU 48 2HB LEU 48 6.482 16.835 1.217 331 2HB LEU 48 1HB LEU 48 5.921 17.646 -0.249 332 HG LEU 48 HG LEU 48 6.390 14.665 0.097 333 1HD1 LEU 48 1HD1 LEU 48 3.873 14.686 -0.471 334 2HD1 LEU 48 2HD1 LEU 48 3.928 16.405 -0.081 335 3HD1 LEU 48 3HD1 LEU 48 4.341 15.209 1.147 336 1HD2 LEU 48 1HD2 LEU 48 6.952 15.118 -2.156 337 2HD2 LEU 48 2HD2 LEU 48 5.710 16.358 -2.310 338 3HD2 LEU 48 3HD2 LEU 48 5.252 14.658 -2.230 339 H GLU 49 H GLU 49 10.414 17.392 -0.486 340 HA GLU 49 HA GLU 49 10.777 18.582 2.077 341 1HB GLU 49 2HB GLU 49 12.586 17.464 0.761 342 2HB GLU 49 1HB GLU 49 12.555 18.823 -0.362 343 1HG GLU 49 2HG GLU 49 13.124 20.370 1.443 344 2HG GLU 49 1HG GLU 49 13.070 19.056 2.616 345 H ASP 50 H ASP 50 10.091 19.826 -1.140 346 HA ASP 50 HA ASP 50 9.296 22.376 -0.028 347 1HB ASP 50 2HB ASP 50 11.766 22.619 -0.306 348 2HB ASP 50 1HB ASP 50 11.562 22.316 -2.030 349 H LYS 51 H LYS 51 7.641 20.639 -1.224 350 HA LYS 51 HA LYS 51 6.796 22.113 -3.568 351 1HB LYS 51 2HB LYS 51 6.624 20.036 -4.980 352 2HB LYS 51 1HB LYS 51 8.269 20.599 -4.702 353 1HG LYS 51 2HG LYS 51 8.538 18.969 -2.883 354 2HG LYS 51 1HG LYS 51 6.887 18.404 -3.132 355 1HD LYS 51 2HD LYS 51 8.808 18.400 -5.457 356 2HD LYS 51 1HD LYS 51 8.909 17.116 -4.254 357 1HE LYS 51 2HE LYS 51 6.239 17.808 -5.465 358 2HE LYS 51 1HE LYS 51 7.366 16.782 -6.345 359 1HZ LYS 51 1HZ LYS 51 6.605 15.116 -5.122 360 2HZ LYS 51 2HZ LYS 51 5.739 16.159 -4.099 361 3HZ LYS 51 3HZ LYS 51 7.372 15.815 -3.781 362 H SER 52 H SER 52 5.502 22.126 -1.308 363 HA SER 52 HA SER 52 3.727 20.209 -0.497 364 1HB SER 52 2HB SER 52 4.138 22.885 0.004 365 2HB SER 52 1HB SER 52 2.525 22.902 -0.689 366 HG SER 52 HG SER 52 2.724 22.527 1.657 367 HA PRO 53 HA PRO 53 0.427 19.458 -3.311 368 1HB PRO 53 2HB PRO 53 -1.507 21.280 -1.933 369 2HB PRO 53 1HB PRO 53 -1.674 19.559 -2.341 370 1HG PRO 53 2HG PRO 53 -1.193 20.299 0.151 371 2HG PRO 53 1HG PRO 53 -0.385 18.877 -0.537 372 1HD PRO 53 2HD PRO 53 0.718 21.630 -0.075 373 2HD PRO 53 1HD PRO 53 1.500 20.052 0.167 374 H ASP 54 H ASP 54 2.094 21.615 -4.090 375 HA ASP 54 HA ASP 54 0.310 23.503 -5.501 376 1HB ASP 54 2HB ASP 54 2.197 24.437 -4.179 377 2HB ASP 54 1HB ASP 54 3.324 23.534 -5.192 378 H SER 55 H SER 55 3.396 21.877 -6.199 379 HA SER 55 HA SER 55 2.914 21.738 -9.023 380 1HB SER 55 2HB SER 55 4.940 19.899 -7.832 381 2HB SER 55 1HB SER 55 5.125 21.106 -9.112 382 HG SER 55 HG SER 55 4.788 22.639 -7.233 383 HA PRO 56 HA PRO 56 1.048 17.744 -9.568 384 1HB PRO 56 2HB PRO 56 3.609 16.326 -10.204 385 2HB PRO 56 1HB PRO 56 2.108 16.421 -11.147 386 1HG PRO 56 2HG PRO 56 4.233 17.815 -11.879 387 2HG PRO 56 1HG PRO 56 2.613 18.531 -11.977 388 1HD PRO 56 2HD PRO 56 4.746 18.982 -9.916 389 2HD PRO 56 1HD PRO 56 3.658 20.167 -10.673 390 H GLU 57 H GLU 57 2.719 18.367 -6.956 391 HA GLU 57 HA GLU 57 3.628 16.084 -5.721 392 1HB GLU 57 2HB GLU 57 3.805 18.146 -4.535 393 2HB GLU 57 1HB GLU 57 2.071 18.437 -4.631 394 1HG GLU 57 2HG GLU 57 1.603 16.656 -3.077 395 2HG GLU 57 1HG GLU 57 3.267 16.081 -3.146 396 H MET 58 H MET 58 0.314 17.348 -5.389 397 HA MET 58 HA MET 58 -0.904 15.195 -4.178 398 1HB MET 58 2HB MET 58 -2.128 16.865 -6.385 399 2HB MET 58 1HB MET 58 -2.982 15.989 -5.115 400 1HG MET 58 2HG MET 58 -1.992 17.413 -3.402 401 2HG MET 58 1HG MET 58 -1.010 18.245 -4.607 402 1HE MET 58 1HE MET 58 -1.744 19.400 -6.482 403 2HE MET 58 2HE MET 58 -3.165 20.433 -6.573 404 3HE MET 58 3HE MET 58 -3.261 18.767 -7.135 405 H LYS 59 H LYS 59 -0.678 15.776 -7.690 406 HA LYS 59 HA LYS 59 -1.832 13.437 -8.611 407 1HB LYS 59 2HB LYS 59 0.534 14.956 -9.735 408 2HB LYS 59 1HB LYS 59 -0.271 13.647 -10.588 409 1HG LYS 59 2HG LYS 59 -1.949 15.914 -9.528 410 2HG LYS 59 1HG LYS 59 -0.998 16.179 -10.986 411 1HD LYS 59 2HD LYS 59 -2.071 14.258 -12.066 412 2HD LYS 59 1HD LYS 59 -2.979 13.914 -10.593 413 1HE LYS 59 2HE LYS 59 -4.221 15.950 -10.771 414 2HE LYS 59 1HE LYS 59 -3.152 16.571 -12.028 415 1HZ LYS 59 1HZ LYS 59 -3.880 14.578 -13.369 416 2HZ LYS 59 2HZ LYS 59 -5.046 15.791 -13.134 417 3HZ LYS 59 3HZ LYS 59 -5.108 14.359 -12.222 418 H ASP 60 H ASP 60 1.344 13.948 -7.217 419 HA ASP 60 HA ASP 60 2.265 11.261 -7.816 420 1HB ASP 60 2HB ASP 60 3.736 13.324 -7.666 421 2HB ASP 60 1HB ASP 60 3.537 13.227 -5.919 422 H PHE 61 H PHE 61 1.133 13.049 -4.940 423 HA PHE 61 HA PHE 61 1.480 10.811 -3.178 424 1HB PHE 61 2HB PHE 61 1.350 12.759 -1.897 425 2HB PHE 61 1HB PHE 61 0.165 13.508 -2.963 426 HD1 PHE 61 1HD PHE 61 -1.686 14.033 -1.573 427 HD2 PHE 61 2HD PHE 61 0.107 10.150 -1.308 428 HE1 PHE 61 1HE PHE 61 -3.556 13.279 -0.144 429 HE2 PHE 61 2HE PHE 61 -1.763 9.390 0.135 430 HZ PHE 61 HZ PHE 61 -3.598 10.954 0.712 431 H ARG 62 H ARG 62 -1.423 12.418 -4.452 432 HA ARG 62 HA ARG 62 -3.368 10.659 -3.756 433 1HB ARG 62 2HB ARG 62 -3.173 11.880 -6.522 434 2HB ARG 62 1HB ARG 62 -4.641 11.380 -5.688 435 1HG ARG 62 2HG ARG 62 -2.847 13.436 -4.402 436 2HG ARG 62 1HG ARG 62 -3.941 13.924 -5.688 437 1HD ARG 62 2HD ARG 62 -4.905 12.337 -3.312 438 2HD ARG 62 1HD ARG 62 -4.781 14.093 -3.269 439 HE ARG 62 HE ARG 62 -6.242 13.092 -5.556 440 1HH1 ARG 62 1HH2 ARG 62 -6.368 14.010 -2.219 441 2HH1 ARG 62 2HH2 ARG 62 -8.058 14.390 -2.247 442 1HH2 ARG 62 1HH1 ARG 62 -8.458 13.588 -5.596 443 2HH2 ARG 62 2HH1 ARG 62 -9.240 14.152 -4.157 444 H HIS 63 H HIS 63 -1.294 10.354 -6.656 445 HA HIS 63 HA HIS 63 -2.404 7.752 -7.233 446 1HB HIS 63 2HB HIS 63 -1.429 9.439 -8.916 447 2HB HIS 63 1HB HIS 63 0.146 8.843 -8.404 448 HD1 HIS 63 1HD HIS 63 -2.205 6.133 -8.171 449 HD2 HIS 63 2HD HIS 63 -0.025 7.852 -11.276 450 HE1 HIS 63 1HE HIS 63 -2.172 4.432 -10.047 451 HE2 HIS 63 2HE HIS 63 -0.846 5.467 -11.949 452 H GLY 64 H GLY 64 0.855 8.882 -6.386 453 1HA GLY 64 2HA GLY 64 2.233 6.598 -6.066 454 2HA GLY 64 1HA GLY 64 2.423 7.937 -4.956 455 H PHE 65 H PHE 65 -0.154 7.810 -3.674 456 HA PHE 65 HA PHE 65 0.413 5.539 -1.946 457 1HB PHE 65 2HB PHE 65 -0.531 6.837 -0.348 458 2HB PHE 65 1HB PHE 65 -0.848 8.069 -1.554 459 HD1 PHE 65 1HD PHE 65 -2.987 7.544 -3.077 460 HD2 PHE 65 2HD PHE 65 -2.353 5.983 0.854 461 HE1 PHE 65 1HE PHE 65 -5.399 7.167 -2.871 462 HE2 PHE 65 2HE PHE 65 -4.794 5.598 1.076 463 HZ PHE 65 HZ PHE 65 -6.305 6.197 -0.799 464 H ASP 66 H ASP 66 -1.782 6.375 -4.497 465 HA ASP 66 HA ASP 66 -3.651 4.256 -4.052 466 1HB ASP 66 2HB ASP 66 -4.083 6.312 -5.455 467 2HB ASP 66 1HB ASP 66 -3.001 5.633 -6.671 468 H ILE 67 H ILE 67 -0.576 4.641 -5.604 469 HA ILE 67 HA ILE 67 -0.594 2.190 -7.096 470 HB ILE 67 HB ILE 67 1.622 4.093 -6.263 471 1HG1 ILE 67 2HG1 ILE 67 0.205 3.596 -8.903 472 2HG1 ILE 67 1HG1 ILE 67 -0.091 4.950 -7.815 473 1HG2 ILE 67 1HG2 ILE 67 2.968 2.881 -8.023 474 2HG2 ILE 67 2HG2 ILE 67 1.692 1.666 -8.102 475 3HG2 ILE 67 3HG2 ILE 67 2.616 1.882 -6.617 476 1HD1 ILE 67 1HD1 ILE 67 2.474 5.392 -8.050 477 2HD1 ILE 67 2HD1 ILE 67 1.410 5.865 -9.373 478 3HD1 ILE 67 3HD1 ILE 67 2.347 4.375 -9.485 479 H LEU 68 H LEU 68 1.173 3.291 -4.230 480 HA LEU 68 HA LEU 68 2.372 0.858 -3.585 481 1HB LEU 68 2HB LEU 68 1.818 3.397 -2.176 482 2HB LEU 68 1HB LEU 68 2.092 2.008 -1.122 483 HG LEU 68 HG LEU 68 4.211 1.521 -2.399 484 1HD1 LEU 68 1HD1 LEU 68 3.537 2.676 -4.496 485 2HD1 LEU 68 2HD1 LEU 68 5.106 3.225 -3.906 486 3HD1 LEU 68 3HD1 LEU 68 3.675 4.225 -3.663 487 1HD2 LEU 68 1HD2 LEU 68 5.496 3.485 -1.525 488 2HD2 LEU 68 2HD2 LEU 68 4.429 2.749 -0.336 489 3HD2 LEU 68 3HD2 LEU 68 3.966 4.258 -1.123 490 H VAL 69 H VAL 69 -0.756 2.136 -2.403 491 HA VAL 69 HA VAL 69 -1.316 -0.094 -0.741 492 HB VAL 69 HB VAL 69 -3.577 0.720 -0.633 493 1HG1 VAL 69 1HG1 VAL 69 -2.969 3.361 -0.509 494 2HG1 VAL 69 2HG1 VAL 69 -1.334 2.704 -0.561 495 3HG1 VAL 69 3HG1 VAL 69 -2.438 2.208 0.716 496 1HG2 VAL 69 1HG2 VAL 69 -4.161 1.062 -2.901 497 2HG2 VAL 69 2HG2 VAL 69 -2.826 2.182 -3.163 498 3HG2 VAL 69 3HG2 VAL 69 -4.206 2.671 -2.181 499 H GLY 70 H GLY 70 -1.624 0.430 -4.160 500 1HA GLY 70 2HA GLY 70 -3.492 -1.706 -4.641 501 2HA GLY 70 1HA GLY 70 -2.559 -0.840 -5.858 502 H GLN 71 H GLN 71 -0.003 -1.356 -4.546 503 HA GLN 71 HA GLN 71 0.478 -4.012 -5.637 504 1HB GLN 71 2HB GLN 71 2.379 -2.017 -4.369 505 2HB GLN 71 1HB GLN 71 2.838 -3.485 -5.234 506 1HG GLN 71 2HG GLN 71 1.945 -2.656 -7.291 507 2HG GLN 71 1HG GLN 71 1.165 -1.306 -6.478 508 1HE2 GLN 71 1HE2 GLN 71 3.182 -0.268 -4.889 509 2HE2 GLN 71 2HE2 GLN 71 4.490 0.214 -5.851 510 H ILE 72 H ILE 72 0.959 -2.326 -2.552 511 HA ILE 72 HA ILE 72 1.906 -4.297 -0.914 512 HB ILE 72 HB ILE 72 -0.038 -2.043 -0.520 513 1HG1 ILE 72 2HG1 ILE 72 2.497 -2.528 1.041 514 2HG1 ILE 72 1HG1 ILE 72 2.600 -1.970 -0.624 515 1HG2 ILE 72 1HG2 ILE 72 -0.967 -3.610 1.041 516 2HG2 ILE 72 2HG2 ILE 72 0.053 -2.519 1.978 517 3HG2 ILE 72 3HG2 ILE 72 0.633 -4.134 1.568 518 1HD1 ILE 72 1HD1 ILE 72 2.553 -0.139 1.136 519 2HD1 ILE 72 2HD1 ILE 72 0.876 -0.594 1.437 520 3HD1 ILE 72 3HD1 ILE 72 1.356 0.010 -0.145 521 H ASP 73 H ASP 73 -1.472 -3.826 -1.917 522 HA ASP 73 HA ASP 73 -2.505 -6.073 -0.492 523 1HB ASP 73 2HB ASP 73 -3.873 -4.138 -1.335 524 2HB ASP 73 1HB ASP 73 -3.655 -4.765 -2.968 525 H ASP 74 H ASP 74 -1.761 -5.555 -3.946 526 HA ASP 74 HA ASP 74 -2.269 -8.092 -4.911 527 1HB ASP 74 2HB ASP 74 -1.547 -5.986 -6.195 528 2HB ASP 74 1HB ASP 74 0.106 -6.460 -5.804 529 H ALA 75 H ALA 75 0.386 -6.883 -3.010 530 HA ALA 75 HA ALA 75 2.226 -8.975 -3.437 531 1HB ALA 75 1HB ALA 75 2.552 -6.675 -2.276 532 2HB ALA 75 2HB ALA 75 3.445 -8.062 -1.658 533 3HB ALA 75 3HB ALA 75 1.995 -7.502 -0.823 534 H LEU 76 H LEU 76 0.206 -8.420 -0.523 535 HA LEU 76 HA LEU 76 0.561 -10.951 0.600 536 1HB LEU 76 2HB LEU 76 -0.591 -8.990 1.709 537 2HB LEU 76 1HB LEU 76 -2.005 -9.355 0.723 538 HG LEU 76 HG LEU 76 -1.698 -11.814 1.713 539 1HD1 LEU 76 1HD1 LEU 76 0.407 -11.388 2.880 540 2HD1 LEU 76 2HD1 LEU 76 -0.865 -11.709 4.057 541 3HD1 LEU 76 3HD1 LEU 76 -0.325 -10.054 3.773 542 1HD2 LEU 76 1HD2 LEU 76 -3.671 -10.421 2.115 543 2HD2 LEU 76 2HD2 LEU 76 -2.789 -9.470 3.311 544 3HD2 LEU 76 3HD2 LEU 76 -3.160 -11.164 3.631 545 H LYS 77 H LYS 77 -2.031 -9.793 -1.528 546 HA LYS 77 HA LYS 77 -3.599 -12.015 -1.857 547 1HB LYS 77 2HB LYS 77 -3.850 -9.747 -2.928 548 2HB LYS 77 1HB LYS 77 -2.625 -10.219 -4.094 549 1HG LYS 77 2HG LYS 77 -5.116 -11.871 -3.644 550 2HG LYS 77 1HG LYS 77 -5.110 -10.510 -4.749 551 1HD LYS 77 2HD LYS 77 -4.308 -11.894 -6.364 552 2HD LYS 77 1HD LYS 77 -2.792 -11.963 -5.477 553 1HE LYS 77 2HE LYS 77 -3.213 -14.219 -5.455 554 2HE LYS 77 1HE LYS 77 -4.298 -13.848 -4.120 555 1HZ LYS 77 1HZ LYS 77 -6.050 -14.354 -5.357 556 2HZ LYS 77 2HZ LYS 77 -4.978 -14.969 -6.523 557 3HZ LYS 77 3HZ LYS 77 -5.534 -13.368 -6.638 558 H LEU 78 H LEU 78 -0.633 -11.288 -3.707 559 HA LEU 78 HA LEU 78 -0.598 -13.739 -5.095 560 1HB LEU 78 2HB LEU 78 0.883 -11.497 -5.288 561 2HB LEU 78 1HB LEU 78 2.023 -12.478 -4.376 562 HG LEU 78 HG LEU 78 0.798 -13.098 -7.082 563 1HD1 LEU 78 1HD1 LEU 78 3.026 -12.940 -7.893 564 2HD1 LEU 78 2HD1 LEU 78 3.702 -13.026 -6.267 565 3HD1 LEU 78 3HD1 LEU 78 2.853 -11.572 -6.791 566 1HD2 LEU 78 1HD2 LEU 78 2.383 -15.173 -6.848 567 2HD2 LEU 78 2HD2 LEU 78 0.804 -15.234 -6.079 568 3HD2 LEU 78 3HD2 LEU 78 2.239 -14.883 -5.116 569 H ALA 79 H ALA 79 0.840 -12.747 -2.010 570 HA ALA 79 HA ALA 79 2.084 -15.287 -1.475 571 1HB ALA 79 1HB ALA 79 2.642 -14.361 0.654 572 2HB ALA 79 2HB ALA 79 1.357 -13.157 0.544 573 3HB ALA 79 3HB ALA 79 2.771 -13.036 -0.503 574 H ASN 80 H ASN 80 -1.084 -14.130 -1.354 575 HA ASN 80 HA ASN 80 -2.007 -15.824 0.814 576 1HB ASN 80 2HB ASN 80 -2.994 -13.546 0.137 577 2HB ASN 80 1HB ASN 80 -3.728 -14.400 -1.219 578 1HD2 ASN 80 1HD2 ASN 80 -5.095 -13.156 1.149 579 2HD2 ASN 80 2HD2 ASN 80 -5.965 -14.418 1.879 580 H GLU 81 H GLU 81 -1.981 -15.681 -2.681 581 HA GLU 81 HA GLU 81 -2.801 -18.517 -2.844 582 1HB GLU 81 2HB GLU 81 -4.570 -16.773 -3.585 583 2HB GLU 81 1HB GLU 81 -3.495 -16.481 -4.954 584 1HG GLU 81 2HG GLU 81 -5.054 -18.141 -5.684 585 2HG GLU 81 1HG GLU 81 -3.543 -18.993 -5.370 586 H GLY 82 H GLY 82 -0.186 -17.998 -2.650 587 1HA GLY 82 2HA GLY 82 1.057 -19.067 -4.829 588 2HA GLY 82 1HA GLY 82 1.042 -17.336 -5.145 589 H LYS 83 H LYS 83 2.245 -19.858 -3.131 590 HA LYS 83 HA LYS 83 3.397 -19.077 -0.964 591 1HB LYS 83 2HB LYS 83 5.215 -20.534 -1.290 592 2HB LYS 83 1HB LYS 83 3.878 -21.176 -2.234 593 1HG LYS 83 2HG LYS 83 5.409 -21.262 -3.939 594 2HG LYS 83 1HG LYS 83 5.066 -19.541 -4.102 595 1HD LYS 83 2HD LYS 83 7.398 -19.588 -3.933 596 2HD LYS 83 1HD LYS 83 6.895 -19.239 -2.281 597 1HE LYS 83 2HE LYS 83 6.902 -22.013 -2.293 598 2HE LYS 83 1HE LYS 83 8.267 -21.633 -3.344 599 1HZ LYS 83 1HZ LYS 83 9.404 -20.655 -1.668 600 2HZ LYS 83 2HZ LYS 83 8.483 -21.732 -0.731 601 3HZ LYS 83 3HZ LYS 83 8.012 -20.105 -0.870 602 H VAL 84 H VAL 84 5.249 -18.151 -0.133 603 HA VAL 84 HA VAL 84 5.631 -15.506 -0.668 604 HB VAL 84 HB VAL 84 7.525 -17.415 0.697 605 1HG1 VAL 84 1HG1 VAL 84 8.938 -15.595 0.497 606 2HG1 VAL 84 2HG1 VAL 84 8.014 -15.027 1.888 607 3HG1 VAL 84 3HG1 VAL 84 7.615 -14.453 0.267 608 1HG2 VAL 84 1HG2 VAL 84 5.197 -15.708 1.610 609 2HG2 VAL 84 2HG2 VAL 84 6.448 -16.239 2.731 610 3HG2 VAL 84 3HG2 VAL 84 5.466 -17.428 1.891 611 H LYS 85 H LYS 85 7.992 -18.027 -1.572 612 HA LYS 85 HA LYS 85 9.943 -16.449 -2.638 613 1HB LYS 85 2HB LYS 85 9.341 -19.183 -2.742 614 2HB LYS 85 1HB LYS 85 9.476 -18.723 -4.434 615 1HG LYS 85 2HG LYS 85 11.691 -17.741 -3.989 616 2HG LYS 85 1HG LYS 85 11.542 -18.172 -2.286 617 1HD LYS 85 2HD LYS 85 12.884 -19.864 -3.431 618 2HD LYS 85 1HD LYS 85 11.346 -20.569 -2.936 619 1HE LYS 85 2HE LYS 85 11.517 -19.356 -5.679 620 2HE LYS 85 1HE LYS 85 12.276 -20.924 -5.409 621 1HZ LYS 85 1HZ LYS 85 10.261 -21.773 -5.694 622 2HZ LYS 85 2HZ LYS 85 9.503 -20.257 -5.581 623 3HZ LYS 85 3HZ LYS 85 9.859 -21.138 -4.173 624 H GLU 86 H GLU 86 6.859 -17.212 -4.141 625 HA GLU 86 HA GLU 86 7.535 -15.939 -6.654 626 1HB GLU 86 2HB GLU 86 4.827 -16.730 -5.544 627 2HB GLU 86 1HB GLU 86 5.164 -16.250 -7.208 628 1HG GLU 86 2HG GLU 86 6.677 -18.160 -7.476 629 2HG GLU 86 1HG GLU 86 6.401 -18.621 -5.799 630 H ALA 87 H ALA 87 6.181 -15.091 -3.619 631 HA ALA 87 HA ALA 87 5.122 -12.532 -4.476 632 1HB ALA 87 1HB ALA 87 4.255 -14.020 -2.529 633 2HB ALA 87 2HB ALA 87 4.322 -12.274 -2.293 634 3HB ALA 87 3HB ALA 87 5.577 -13.305 -1.605 635 H GLN 88 H GLN 88 7.809 -13.679 -2.438 636 HA GLN 88 HA GLN 88 8.941 -11.218 -1.815 637 1HB GLN 88 2HB GLN 88 10.705 -12.438 -0.977 638 2HB GLN 88 1HB GLN 88 9.569 -13.759 -1.194 639 1HG GLN 88 2HG GLN 88 11.495 -14.609 -2.210 640 2HG GLN 88 1HG GLN 88 10.630 -13.941 -3.584 641 1HE2 GLN 88 1HE2 GLN 88 11.308 -11.179 -2.409 642 2HE2 GLN 88 2HE2 GLN 88 12.896 -10.897 -2.919 643 H ALA 89 H ALA 89 9.095 -13.124 -4.747 644 HA ALA 89 HA ALA 89 11.019 -11.405 -6.038 645 1HB ALA 89 1HB ALA 89 10.770 -13.771 -6.709 646 2HB ALA 89 2HB ALA 89 10.451 -12.686 -8.063 647 3HB ALA 89 3HB ALA 89 9.110 -13.449 -7.211 648 H ALA 90 H ALA 90 7.497 -11.883 -6.044 649 HA ALA 90 HA ALA 90 6.947 -9.883 -7.996 650 1HB ALA 90 1HB ALA 90 5.358 -11.671 -7.096 651 2HB ALA 90 2HB ALA 90 4.682 -10.067 -7.362 652 3HB ALA 90 3HB ALA 90 5.095 -10.589 -5.729 653 H ALA 91 H ALA 91 8.078 -9.738 -4.810 654 HA ALA 91 HA ALA 91 6.993 -7.144 -4.148 655 1HB ALA 91 1HB ALA 91 7.658 -8.976 -2.490 656 2HB ALA 91 2HB ALA 91 8.191 -7.336 -2.116 657 3HB ALA 91 3HB ALA 91 9.327 -8.497 -2.804 658 H GLU 92 H GLU 92 10.086 -8.437 -5.311 659 HA GLU 92 HA GLU 92 11.552 -6.052 -5.111 660 1HB GLU 92 2HB GLU 92 13.247 -7.172 -6.202 661 2HB GLU 92 1HB GLU 92 12.260 -8.549 -5.727 662 1HG GLU 92 2HG GLU 92 11.110 -8.313 -8.010 663 2HG GLU 92 1HG GLU 92 12.419 -7.218 -8.437 664 H GLN 93 H GLN 93 9.453 -7.262 -7.719 665 HA GLN 93 HA GLN 93 10.116 -5.249 -9.591 666 1HB GLN 93 2HB GLN 93 7.813 -5.748 -10.560 667 2HB GLN 93 1HB GLN 93 8.922 -7.114 -10.439 668 1HG GLN 93 2HG GLN 93 7.876 -7.804 -8.350 669 2HG GLN 93 1HG GLN 93 6.785 -6.423 -8.413 670 1HE2 GLN 93 1HE2 GLN 93 4.782 -7.470 -8.780 671 2HE2 GLN 93 2HE2 GLN 93 4.481 -8.475 -10.115 672 H LEU 94 H LEU 94 8.428 -5.058 -6.633 673 HA LEU 94 HA LEU 94 6.819 -2.744 -7.361 674 1HB LEU 94 2HB LEU 94 7.502 -3.743 -4.582 675 2HB LEU 94 1HB LEU 94 6.214 -2.630 -5.025 676 HG LEU 94 HG LEU 94 6.416 -5.560 -5.767 677 1HD1 LEU 94 1HD1 LEU 94 4.663 -3.952 -3.901 678 2HD1 LEU 94 2HD1 LEU 94 5.589 -5.406 -3.555 679 3HD1 LEU 94 3HD1 LEU 94 4.132 -5.506 -4.540 680 1HD2 LEU 94 1HD2 LEU 94 5.433 -4.604 -7.677 681 2HD2 LEU 94 2HD2 LEU 94 4.615 -3.349 -6.750 682 3HD2 LEU 94 3HD2 LEU 94 4.028 -5.011 -6.694 683 H LYS 95 H LYS 95 9.770 -3.475 -5.587 684 HA LYS 95 HA LYS 95 10.442 -0.968 -4.630 685 1HB LYS 95 2HB LYS 95 12.218 -3.154 -5.745 686 2HB LYS 95 1HB LYS 95 12.840 -1.726 -4.920 687 1HG LYS 95 2HG LYS 95 10.775 -3.556 -3.664 688 2HG LYS 95 1HG LYS 95 12.504 -3.830 -3.486 689 1HD LYS 95 2HD LYS 95 11.948 -1.039 -2.882 690 2HD LYS 95 1HD LYS 95 10.848 -2.051 -1.954 691 1HE LYS 95 2HE LYS 95 12.696 -3.280 -0.988 692 2HE LYS 95 1HE LYS 95 13.846 -2.474 -2.057 693 1HZ LYS 95 1HZ LYS 95 13.597 -0.470 -0.951 694 2HZ LYS 95 2HZ LYS 95 13.569 -1.598 0.320 695 3HZ LYS 95 3HZ LYS 95 12.120 -0.913 -0.245 696 H THR 96 H THR 96 10.830 -2.323 -7.857 697 HA THR 96 HA THR 96 12.256 -0.077 -8.921 698 HB THR 96 HB THR 96 10.606 -2.017 -10.519 699 HG1 THR 96 1HG THR 96 11.783 -3.483 -9.586 700 1HG2 THR 96 1HG2 THR 96 12.358 -1.648 -12.189 701 2HG2 THR 96 2HG2 THR 96 13.241 -0.623 -11.057 702 3HG2 THR 96 3HG2 THR 96 11.675 -0.103 -11.680 703 H THR 97 H THR 97 8.852 -1.062 -8.825 704 HA THR 97 HA THR 97 7.817 0.847 -10.590 705 HB THR 97 HB THR 97 6.428 -0.146 -8.095 706 HG1 THR 97 1HG THR 97 7.413 -1.512 -10.158 707 1HG2 THR 97 1HG2 THR 97 4.439 0.042 -9.658 708 2HG2 THR 97 2HG2 THR 97 5.500 0.876 -10.789 709 3HG2 THR 97 3HG2 THR 97 5.176 1.577 -9.203 710 H ILE 98 H ILE 98 8.068 1.052 -7.014 711 HA ILE 98 HA ILE 98 7.166 3.728 -6.907 712 HB ILE 98 HB ILE 98 7.740 3.735 -4.640 713 1HG1 ILE 98 2HG1 ILE 98 9.903 1.710 -5.301 714 2HG1 ILE 98 1HG1 ILE 98 10.168 3.392 -4.828 715 1HG2 ILE 98 1HG2 ILE 98 6.938 1.679 -3.798 716 2HG2 ILE 98 2HG2 ILE 98 7.654 0.756 -5.116 717 3HG2 ILE 98 3HG2 ILE 98 6.248 1.774 -5.417 718 1HD1 ILE 98 1HD1 ILE 98 10.507 2.114 -2.846 719 2HD1 ILE 98 2HD1 ILE 98 9.080 1.122 -3.145 720 3HD1 ILE 98 3HD1 ILE 98 8.896 2.813 -2.676 721 H ARG 99 H ARG 99 10.244 2.276 -7.677 722 HA ARG 99 HA ARG 99 11.783 4.600 -7.186 723 1HB ARG 99 2HB ARG 99 12.791 2.336 -7.431 724 2HB ARG 99 1HB ARG 99 12.398 2.380 -9.148 725 1HG ARG 99 2HG ARG 99 14.741 3.056 -8.752 726 2HG ARG 99 1HG ARG 99 13.802 4.373 -9.446 727 1HD ARG 99 2HD ARG 99 13.968 5.659 -7.542 728 2HD ARG 99 1HD ARG 99 13.866 4.277 -6.464 729 HE ARG 99 HE ARG 99 16.322 4.032 -7.693 730 1HH1 ARG 99 1HH2 ARG 99 14.643 6.433 -5.850 731 2HH1 ARG 99 2HH2 ARG 99 16.081 7.096 -5.147 732 1HH2 ARG 99 1HH1 ARG 99 18.210 4.896 -6.773 733 2HH2 ARG 99 2HH1 ARG 99 18.099 6.227 -5.670 734 H ALA 100 H ALA 100 9.708 3.626 -9.765 735 HA ALA 100 HA ALA 100 10.718 5.497 -11.695 736 1HB ALA 100 1HB ALA 100 8.598 5.117 -12.863 737 2HB ALA 100 2HB ALA 100 7.925 4.327 -11.436 738 3HB ALA 100 3HB ALA 100 9.252 3.572 -12.320 739 H TYR 101 H TYR 101 8.362 5.490 -9.086 740 HA TYR 101 HA TYR 101 7.487 8.202 -9.598 741 1HB TYR 101 2HB TYR 101 5.741 7.298 -8.438 742 2HB TYR 101 1HB TYR 101 6.735 5.985 -7.822 743 HD1 TYR 101 1HD TYR 101 6.525 9.715 -7.387 744 HD2 TYR 101 2HD TYR 101 6.866 5.877 -5.488 745 HE1 TYR 101 1HE TYR 101 6.579 10.818 -5.166 746 HE2 TYR 101 2HE TYR 101 6.917 6.979 -3.269 747 HH TYR 101 HH TYR 101 7.692 9.597 -2.536 748 H ASN 102 H ASN 102 9.429 6.591 -7.081 749 HA ASN 102 HA ASN 102 10.204 8.872 -5.672 750 1HB ASN 102 2HB ASN 102 10.585 6.312 -5.177 751 2HB ASN 102 1HB ASN 102 12.105 6.565 -6.028 752 1HD2 ASN 102 1HD2 ASN 102 12.853 9.100 -5.188 753 2HD2 ASN 102 2HD2 ASN 102 13.069 9.109 -3.507 754 H GLN 103 H GLN 103 11.606 7.362 -8.549 755 HA GLN 103 HA GLN 103 13.823 9.222 -8.646 756 1HB GLN 103 2HB GLN 103 13.944 6.862 -9.531 757 2HB GLN 103 1HB GLN 103 12.860 7.375 -10.826 758 1HG GLN 103 2HG GLN 103 14.447 8.891 -11.713 759 2HG GLN 103 1HG GLN 103 15.435 8.843 -10.254 760 1HE2 GLN 103 1HE2 GLN 103 14.085 6.289 -12.434 761 2HE2 GLN 103 2HE2 GLN 103 15.567 5.487 -12.634 762 H LYS 104 H LYS 104 10.671 8.821 -10.180 763 HA LYS 104 HA LYS 104 10.798 10.505 -12.341 764 1HB LYS 104 2HB LYS 104 8.662 9.600 -11.997 765 2HB LYS 104 1HB LYS 104 8.603 10.114 -10.319 766 1HG LYS 104 2HG LYS 104 8.008 12.318 -10.855 767 2HG LYS 104 1HG LYS 104 8.745 12.225 -12.457 768 1HD LYS 104 2HD LYS 104 6.946 10.746 -13.229 769 2HD LYS 104 1HD LYS 104 6.227 10.753 -11.617 770 1HE LYS 104 2HE LYS 104 5.745 13.109 -11.760 771 2HE LYS 104 1HE LYS 104 6.676 13.264 -13.250 772 1HZ LYS 104 1HZ LYS 104 4.696 12.975 -14.221 773 2HZ LYS 104 2HZ LYS 104 3.991 12.274 -12.843 774 3HZ LYS 104 3HZ LYS 104 4.940 11.330 -13.891 775 H TYR 105 H TYR 105 10.448 11.438 -8.948 776 HA TYR 105 HA TYR 105 10.922 14.258 -9.697 777 1HB TYR 105 2HB TYR 105 9.277 12.968 -7.709 778 2HB TYR 105 1HB TYR 105 10.435 13.999 -6.874 779 HD1 TYR 105 1HD TYR 105 7.496 13.895 -9.017 780 HD2 TYR 105 2HD TYR 105 10.593 16.436 -7.478 781 HE1 TYR 105 1HE TYR 105 6.202 15.868 -9.711 782 HE2 TYR 105 2HE TYR 105 9.284 18.432 -8.158 783 HH TYR 105 HH TYR 105 7.530 18.993 -9.813 784 H GLY 106 H GLY 106 12.336 11.539 -8.026 785 1HA GLY 106 2HA GLY 106 14.300 11.326 -6.801 786 2HA GLY 106 1HA GLY 106 14.952 12.207 -8.178
Contact the webmaster for help, if required. Wednesday, June 26, 2024 4:27:53 AM GMT (wattos1)