NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3682 | 1e0z | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 H2 PRO 1 -20.250 -14.033 13.499 2 H3 PRO 1 H3 PRO 1 -20.433 -15.721 13.393 3 HA PRO 1 HA PRO 1 -18.281 -15.866 12.901 4 1HB PRO 1 1HB PRO 1 -17.966 -14.634 10.480 5 2HB PRO 1 2HB PRO 1 -18.813 -16.180 10.672 6 1HG PRO 1 1HG PRO 1 -19.918 -13.431 10.367 7 2HG PRO 1 2HG PRO 1 -20.493 -14.958 9.684 8 1HD PRO 1 1HD PRO 1 -21.621 -13.752 11.856 9 2HD PRO 1 2HD PRO 1 -21.665 -15.503 11.573 10 H THR 2 H THR 2 -18.340 -13.970 14.776 11 HA THR 2 HA THR 2 -16.769 -11.661 13.678 12 HB THR 2 HB THR 2 -18.567 -11.905 16.110 13 HG1 THR 2 HG1 THR 2 -19.277 -11.656 13.726 14 1HG2 THR 2 1HG2 THR 2 -16.705 -9.770 15.133 15 2HG2 THR 2 2HG2 THR 2 -18.204 -9.296 15.933 16 3HG2 THR 2 3HG2 THR 2 -17.029 -10.299 16.783 17 H VAL 3 H VAL 3 -14.749 -11.319 14.549 18 HA VAL 3 HA VAL 3 -13.987 -12.739 17.060 19 HB VAL 3 HB VAL 3 -12.794 -12.985 14.295 20 1HG1 VAL 3 1HG1 VAL 3 -11.462 -13.636 16.943 21 2HG1 VAL 3 2HG1 VAL 3 -10.850 -14.115 15.360 22 3HG1 VAL 3 3HG1 VAL 3 -10.939 -12.408 15.792 23 1HG2 VAL 3 1HG2 VAL 3 -14.418 -14.607 15.959 24 2HG2 VAL 3 2HG2 VAL 3 -13.684 -15.050 14.418 25 3HG2 VAL 3 3HG2 VAL 3 -12.824 -15.361 15.926 26 H GLU 4 H GLU 4 -11.874 -11.851 17.904 27 HA GLU 4 HA GLU 4 -11.329 -9.074 16.906 28 1HB GLU 4 1HB GLU 4 -12.760 -9.573 19.105 29 2HB GLU 4 2HB GLU 4 -11.156 -9.763 19.815 30 1HG GLU 4 1HG GLU 4 -10.737 -7.538 19.719 31 2HG GLU 4 2HG GLU 4 -11.377 -7.405 18.081 32 H TYR 5 H TYR 5 -9.255 -9.263 16.087 33 HA TYR 5 HA TYR 5 -7.315 -11.103 17.336 34 1HB TYR 5 1HB TYR 5 -5.946 -10.454 15.408 35 2HB TYR 5 2HB TYR 5 -7.586 -10.824 14.877 36 HD1 TYR 5 HD1 TYR 5 -5.213 -8.072 15.645 37 HD2 TYR 5 HD2 TYR 5 -9.010 -9.138 13.941 38 HE1 TYR 5 HE1 TYR 5 -5.410 -5.803 14.663 39 HE2 TYR 5 HE2 TYR 5 -9.207 -6.869 12.961 40 HH TYR 5 HH TYR 5 -6.680 -4.409 13.498 41 H LEU 6 H LEU 6 -5.453 -10.446 18.443 42 HA LEU 6 HA LEU 6 -5.140 -7.515 18.992 43 1HB LEU 6 1HB LEU 6 -6.144 -9.481 20.712 44 2HB LEU 6 2HB LEU 6 -4.468 -9.280 21.219 45 HG LEU 6 HG LEU 6 -6.597 -7.136 21.004 46 1HD1 LEU 6 1HD1 LEU 6 -6.078 -8.787 23.072 47 2HD1 LEU 6 2HD1 LEU 6 -4.870 -7.544 23.395 48 3HD1 LEU 6 3HD1 LEU 6 -6.578 -7.112 23.302 49 1HD2 LEU 6 1HD2 LEU 6 -3.639 -6.978 20.915 50 2HD2 LEU 6 2HD2 LEU 6 -4.846 -5.825 20.345 51 3HD2 LEU 6 3HD2 LEU 6 -4.421 -5.882 22.055 52 H ASN 7 H ASN 7 -2.965 -6.850 19.174 53 HA ASN 7 HA ASN 7 -0.931 -8.619 18.063 54 1HB ASN 7 1HB ASN 7 -1.098 -6.173 17.655 55 2HB ASN 7 2HB ASN 7 -0.774 -5.878 19.361 56 2HD2 ASN 7 2HD2 ASN 7 0.820 -8.435 17.451 57 1HD2 ASN 7 1HD2 ASN 7 2.370 -7.749 17.521 58 H TYR 8 H TYR 8 -0.151 -10.246 19.406 59 HA TYR 8 HA TYR 8 -0.144 -10.245 22.243 60 1HB TYR 8 1HB TYR 8 0.180 -12.275 21.010 61 2HB TYR 8 2HB TYR 8 1.556 -11.602 20.134 62 HD1 TYR 8 HD1 TYR 8 3.679 -11.059 21.396 63 HD2 TYR 8 HD2 TYR 8 0.454 -13.290 23.150 64 HE1 TYR 8 HE1 TYR 8 5.208 -11.874 23.171 65 HE2 TYR 8 HE2 TYR 8 1.983 -14.104 24.925 66 HH TYR 8 HH TYR 8 4.244 -13.131 25.989 67 H GLU 9 H GLU 9 2.217 -9.014 19.909 68 HA GLU 9 HA GLU 9 4.366 -8.483 21.724 69 1HB GLU 9 1HB GLU 9 3.935 -8.355 19.047 70 2HB GLU 9 2HB GLU 9 3.846 -6.640 19.448 71 1HG GLU 9 1HG GLU 9 6.099 -8.355 20.484 72 2HG GLU 9 2HG GLU 9 6.175 -7.638 18.874 73 H THR 10 H THR 10 1.554 -6.544 20.713 74 HA THR 10 HA THR 10 2.258 -4.109 22.035 75 HB THR 10 HB THR 10 -0.411 -5.400 21.380 76 HG1 THR 10 HG1 THR 10 1.246 -3.535 20.037 77 1HG2 THR 10 1HG2 THR 10 -0.062 -3.280 23.061 78 2HG2 THR 10 2HG2 THR 10 -0.174 -2.460 21.503 79 3HG2 THR 10 3HG2 THR 10 -1.485 -3.508 22.044 80 H LEU 11 H LEU 11 0.566 -7.025 23.156 81 HA LEU 11 HA LEU 11 -0.312 -6.047 25.692 82 1HB LEU 11 1HB LEU 11 -1.145 -8.104 24.759 83 2HB LEU 11 2HB LEU 11 0.482 -8.771 24.629 84 HG LEU 11 HG LEU 11 0.699 -8.871 27.041 85 1HD1 LEU 11 1HD1 LEU 11 -1.830 -7.251 26.935 86 2HD1 LEU 11 2HD1 LEU 11 -1.504 -8.263 28.342 87 3HD1 LEU 11 3HD1 LEU 11 -0.377 -6.981 27.897 88 1HD2 LEU 11 1HD2 LEU 11 -0.601 -10.673 25.816 89 2HD2 LEU 11 2HD2 LEU 11 -0.963 -10.538 27.537 90 3HD2 LEU 11 3HD2 LEU 11 -2.076 -9.865 26.346 91 H ASP 12 H ASP 12 2.741 -7.576 24.668 92 HA ASP 12 HA ASP 12 3.894 -7.559 27.350 93 1HB ASP 12 1HB ASP 12 4.574 -8.361 24.593 94 2HB ASP 12 2HB ASP 12 5.958 -7.820 25.543 95 H ASP 13 H ASP 13 4.663 -5.752 24.345 96 HA ASP 13 HA ASP 13 6.555 -3.951 25.280 97 1HB ASP 13 1HB ASP 13 5.437 -4.253 22.973 98 2HB ASP 13 2HB ASP 13 4.205 -3.135 23.559 99 H GLN 14 H GLN 14 3.013 -3.375 25.335 100 HA GLN 14 HA GLN 14 3.186 -0.985 26.937 101 1HB GLN 14 1HB GLN 14 0.897 -2.946 26.578 102 2HB GLN 14 2HB GLN 14 0.761 -1.243 27.016 103 1HG GLN 14 1HG GLN 14 2.301 -1.738 24.551 104 2HG GLN 14 2HG GLN 14 0.603 -2.204 24.449 105 2HE2 GLN 14 2HE2 GLN 14 -0.708 -0.509 23.767 106 1HE2 GLN 14 1HE2 GLN 14 -0.419 1.136 24.069 107 H GLY 15 H GLY 15 3.162 -4.394 27.699 108 1HA GLY 15 1HA GLY 15 3.747 -3.846 30.494 109 2HA GLY 15 2HA GLY 15 3.559 -5.445 29.773 110 H TRP 16 H TRP 16 0.917 -4.924 28.668 111 HA TRP 16 HA TRP 16 -0.812 -4.224 30.952 112 1HB TRP 16 1HB TRP 16 -0.953 -4.507 28.059 113 2HB TRP 16 2HB TRP 16 -2.317 -5.304 28.843 114 HD1 TRP 16 HD1 TRP 16 -4.282 -3.713 28.973 115 HE1 TRP 16 HE1 TRP 16 -4.610 -1.210 29.497 116 HE3 TRP 16 HE3 TRP 16 0.586 -2.294 29.577 117 HZ2 TRP 16 HZ2 TRP 16 -3.017 1.090 30.092 118 HZ3 TRP 16 HZ3 TRP 16 1.152 0.056 30.121 119 HH2 TRP 16 HH2 TRP 16 -0.641 1.749 30.380 120 H ASP 17 H ASP 17 -2.872 -5.977 30.823 121 HA ASP 17 HA ASP 17 -1.631 -8.533 31.738 122 1HB ASP 17 1HB ASP 17 -4.146 -6.982 32.265 123 2HB ASP 17 2HB ASP 17 -4.140 -8.718 32.574 124 H MET 18 H MET 18 -3.033 -10.529 31.243 125 HA MET 18 HA MET 18 -3.426 -10.743 28.370 126 1HB MET 18 1HB MET 18 -2.985 -12.400 30.608 127 2HB MET 18 2HB MET 18 -4.552 -12.890 29.963 128 1HG MET 18 1HG MET 18 -3.417 -12.909 27.659 129 2HG MET 18 2HG MET 18 -1.890 -12.813 28.534 130 1HE MET 18 1HE MET 18 -5.041 -14.303 27.832 131 2HE MET 18 2HE MET 18 -4.332 -15.750 27.100 132 3HE MET 18 3HE MET 18 -5.171 -15.861 28.646 133 H ASP 19 H ASP 19 -5.608 -10.723 31.202 134 HA ASP 19 HA ASP 19 -7.846 -9.968 29.374 135 1HB ASP 19 1HB ASP 19 -9.246 -11.690 30.471 136 2HB ASP 19 2HB ASP 19 -7.838 -12.422 29.701 137 H ASP 20 H ASP 20 -6.072 -8.971 31.854 138 HA ASP 20 HA ASP 20 -8.102 -8.379 33.874 139 1HB ASP 20 1HB ASP 20 -5.453 -8.666 33.931 140 2HB ASP 20 2HB ASP 20 -5.493 -6.927 33.637 141 H ASP 21 H ASP 21 -6.144 -6.281 31.710 142 HA ASP 21 HA ASP 21 -7.925 -4.003 32.150 143 1HB ASP 21 1HB ASP 21 -5.301 -4.540 31.217 144 2HB ASP 21 2HB ASP 21 -6.153 -3.752 29.889 145 H ASP 22 H ASP 22 -8.421 -6.746 30.442 146 HA ASP 22 HA ASP 22 -9.766 -7.302 28.580 147 1HB ASP 22 1HB ASP 22 -10.918 -5.246 30.146 148 2HB ASP 22 2HB ASP 22 -11.192 -4.786 28.466 149 H LEU 23 H LEU 23 -7.299 -6.405 27.778 150 HA LEU 23 HA LEU 23 -6.909 -4.190 26.191 151 1HB LEU 23 1HB LEU 23 -6.158 -7.082 25.997 152 2HB LEU 23 2HB LEU 23 -5.734 -6.023 24.652 153 HG LEU 23 HG LEU 23 -5.004 -4.523 26.857 154 1HD1 LEU 23 1HD1 LEU 23 -5.321 -7.142 27.804 155 2HD1 LEU 23 2HD1 LEU 23 -3.585 -6.966 27.551 156 3HD1 LEU 23 3HD1 LEU 23 -4.441 -5.840 28.603 157 1HD2 LEU 23 1HD2 LEU 23 -3.657 -6.173 24.796 158 2HD2 LEU 23 2HD2 LEU 23 -3.411 -4.478 25.218 159 3HD2 LEU 23 3HD2 LEU 23 -2.666 -5.747 26.191 160 H PHE 24 H PHE 24 -8.721 -7.117 25.225 161 HA PHE 24 HA PHE 24 -9.263 -6.433 22.533 162 1HB PHE 24 1HB PHE 24 -10.671 -8.006 24.686 163 2HB PHE 24 2HB PHE 24 -11.392 -7.848 23.083 164 HD1 PHE 24 HD1 PHE 24 -9.612 -8.209 21.085 165 HD2 PHE 24 HD2 PHE 24 -9.288 -9.843 25.044 166 HE1 PHE 24 HE1 PHE 24 -8.101 -9.982 20.230 167 HE2 PHE 24 HE2 PHE 24 -7.777 -11.614 24.191 168 HZ PHE 24 HZ PHE 24 -7.183 -11.683 21.783 169 H GLU 25 H GLU 25 -10.475 -5.046 25.472 170 HA GLU 25 HA GLU 25 -12.645 -3.627 23.971 171 1HB GLU 25 1HB GLU 25 -12.961 -5.063 26.130 172 2HB GLU 25 2HB GLU 25 -12.253 -3.678 26.961 173 1HG GLU 25 1HG GLU 25 -14.566 -3.362 25.044 174 2HG GLU 25 2HG GLU 25 -14.822 -3.728 26.750 175 H LYS 26 H LYS 26 -10.105 -3.037 26.437 176 HA LYS 26 HA LYS 26 -10.280 -0.166 26.323 177 1HB LYS 26 1HB LYS 26 -9.256 -1.751 28.081 178 2HB LYS 26 2HB LYS 26 -7.845 -1.816 27.025 179 1HG LYS 26 1HG LYS 26 -7.211 0.315 27.532 180 2HG LYS 26 2HG LYS 26 -8.873 0.904 27.564 181 1HD LYS 26 1HD LYS 26 -9.190 0.281 29.791 182 2HD LYS 26 2HD LYS 26 -7.922 -0.943 29.733 183 1HE LYS 26 1HE LYS 26 -6.244 0.594 30.141 184 2HE LYS 26 2HE LYS 26 -7.092 1.896 29.284 185 1HZ LYS 26 1HZ LYS 26 -8.150 0.707 31.785 186 2HZ LYS 26 2HZ LYS 26 -7.064 2.013 31.816 187 3HZ LYS 26 3HZ LYS 26 -8.576 2.183 31.060 188 H ALA 27 H ALA 27 -8.710 -2.536 24.300 189 HA ALA 27 HA ALA 27 -6.638 -0.948 23.149 190 1HB ALA 27 1HB ALA 27 -8.344 -3.263 22.213 191 2HB ALA 27 2HB ALA 27 -7.044 -2.609 21.217 192 3HB ALA 27 3HB ALA 27 -6.680 -3.305 22.796 193 H ALA 28 H ALA 28 -10.080 -1.302 22.313 194 HA ALA 28 HA ALA 28 -10.109 0.149 19.878 195 1HB ALA 28 1HB ALA 28 -11.910 -1.217 21.189 196 2HB ALA 28 2HB ALA 28 -12.275 0.322 21.968 197 3HB ALA 28 3HB ALA 28 -12.442 0.157 20.220 198 H ASP 29 H ASP 29 -9.720 1.247 23.165 199 HA ASP 29 HA ASP 29 -10.345 4.061 22.486 200 1HB ASP 29 1HB ASP 29 -9.642 2.461 24.939 201 2HB ASP 29 2HB ASP 29 -9.562 4.223 24.984 202 H ALA 30 H ALA 30 -7.653 1.960 22.417 203 HA ALA 30 HA ALA 30 -5.632 4.050 22.925 204 1HB ALA 30 1HB ALA 30 -5.812 1.121 22.584 205 2HB ALA 30 2HB ALA 30 -4.747 2.064 23.626 206 3HB ALA 30 3HB ALA 30 -4.342 1.839 21.925 207 H GLY 31 H GLY 31 -7.303 2.599 20.226 208 1HA GLY 31 1HA GLY 31 -6.423 4.565 18.362 209 2HA GLY 31 2HA GLY 31 -7.195 3.040 17.926 210 H LEU 32 H LEU 32 -5.118 1.414 19.242 211 HA LEU 32 HA LEU 32 -2.491 1.967 18.310 212 1HB LEU 32 1HB LEU 32 -4.103 -0.423 19.113 213 2HB LEU 32 2HB LEU 32 -2.539 -0.705 18.348 214 HG LEU 32 HG LEU 32 -2.860 1.214 20.660 215 1HD1 LEU 32 1HD1 LEU 32 -2.987 -1.704 20.663 216 2HD1 LEU 32 2HD1 LEU 32 -1.649 -1.097 21.638 217 3HD1 LEU 32 3HD1 LEU 32 -3.297 -0.570 21.978 218 1HD2 LEU 32 1HD2 LEU 32 -0.757 0.573 18.905 219 2HD2 LEU 32 2HD2 LEU 32 -0.638 1.493 20.405 220 3HD2 LEU 32 3HD2 LEU 32 -0.368 -0.250 20.417 221 H ASP 33 H ASP 33 -1.582 0.057 16.664 222 HA ASP 33 HA ASP 33 -2.460 0.857 14.042 223 1HB ASP 33 1HB ASP 33 -0.555 -1.054 15.301 224 2HB ASP 33 2HB ASP 33 -1.003 -1.386 13.628 225 H GLY 34 H GLY 34 -3.882 -0.168 12.626 226 1HA GLY 34 1HA GLY 34 -5.616 -1.594 11.941 227 2HA GLY 34 2HA GLY 34 -5.902 -1.901 13.655 228 H GLU 35 H GLU 35 -2.764 -2.540 12.270 229 HA GLU 35 HA GLU 35 -3.257 -5.346 11.656 230 1HB GLU 35 1HB GLU 35 -1.009 -3.397 11.716 231 2HB GLU 35 2HB GLU 35 -0.568 -5.100 11.844 232 1HG GLU 35 1HG GLU 35 -0.589 -4.725 9.519 233 2HG GLU 35 2HG GLU 35 -2.174 -5.435 9.825 234 H ASP 36 H ASP 36 -3.216 -3.797 14.568 235 HA ASP 36 HA ASP 36 -1.892 -6.093 15.975 236 1HB ASP 36 1HB ASP 36 -2.347 -3.191 16.749 237 2HB ASP 36 2HB ASP 36 -1.601 -4.393 17.801 238 H TYR 37 H TYR 37 -4.614 -3.771 16.206 239 HA TYR 37 HA TYR 37 -6.157 -5.900 17.650 240 1HB TYR 37 1HB TYR 37 -5.458 -4.379 19.334 241 2HB TYR 37 2HB TYR 37 -5.717 -2.980 18.291 242 HD1 TYR 37 HD1 TYR 37 -7.466 -5.717 20.121 243 HD2 TYR 37 HD2 TYR 37 -7.835 -1.906 18.176 244 HE1 TYR 37 HE1 TYR 37 -9.783 -5.504 20.980 245 HE2 TYR 37 HE2 TYR 37 -10.152 -1.691 19.034 246 HH TYR 37 HH TYR 37 -11.365 -3.058 21.409 247 H GLY 38 H GLY 38 -8.285 -6.105 16.952 248 1HA GLY 38 1HA GLY 38 -9.071 -4.830 14.483 249 2HA GLY 38 2HA GLY 38 -9.939 -4.133 15.848 250 H THR 39 H THR 39 -11.820 -5.117 14.627 251 HA THR 39 HA THR 39 -12.429 -7.770 15.784 252 HB THR 39 HB THR 39 -14.256 -6.146 14.034 253 HG1 THR 39 HG1 THR 39 -13.541 -4.543 15.285 254 1HG2 THR 39 1HG2 THR 39 -14.564 -8.401 15.591 255 2HG2 THR 39 2HG2 THR 39 -15.143 -7.121 16.656 256 3HG2 THR 39 3HG2 THR 39 -15.875 -7.343 15.067 257 H MET 40 H MET 40 -11.826 -9.526 14.573 258 HA MET 40 HA MET 40 -11.572 -9.306 11.637 259 1HB MET 40 1HB MET 40 -10.284 -10.659 13.701 260 2HB MET 40 2HB MET 40 -11.201 -11.926 12.886 261 1HG MET 40 1HG MET 40 -9.487 -9.935 11.385 262 2HG MET 40 2HG MET 40 -8.861 -11.479 11.963 263 1HE MET 40 1HE MET 40 -8.646 -13.156 10.953 264 2HE MET 40 2HE MET 40 -10.139 -14.078 10.795 265 3HE MET 40 3HE MET 40 -9.209 -13.641 9.356 266 H GLU 41 H GLU 41 -13.285 -9.808 10.334 267 HA GLU 41 HA GLU 41 -15.525 -11.432 11.448 268 1HB GLU 41 1HB GLU 41 -15.179 -9.174 9.655 269 2HB GLU 41 2HB GLU 41 -16.135 -10.439 8.884 270 1HG GLU 41 1HG GLU 41 -17.544 -10.527 10.983 271 2HG GLU 41 2HG GLU 41 -16.677 -9.098 11.547 272 H VAL 42 H VAL 42 -15.392 -13.594 10.975 273 HA VAL 42 HA VAL 42 -14.484 -14.377 8.229 274 HB VAL 42 HB VAL 42 -13.737 -15.624 10.894 275 1HG1 VAL 42 1HG1 VAL 42 -13.964 -17.270 9.050 276 2HG1 VAL 42 2HG1 VAL 42 -12.851 -16.309 8.074 277 3HG1 VAL 42 3HG1 VAL 42 -12.284 -17.083 9.554 278 1HG2 VAL 42 1HG2 VAL 42 -12.489 -13.604 9.131 279 2HG2 VAL 42 2HG2 VAL 42 -12.245 -13.899 10.853 280 3HG2 VAL 42 3HG2 VAL 42 -11.411 -14.896 9.660 281 H ALA 43 H ALA 43 -16.007 -15.664 7.268 282 HA ALA 43 HA ALA 43 -18.316 -16.634 8.780 283 1HB ALA 43 1HB ALA 43 -18.385 -17.723 6.229 284 2HB ALA 43 2HB ALA 43 -17.423 -16.261 6.010 285 3HB ALA 43 3HB ALA 43 -19.049 -16.154 6.684 286 H GLU 44 H GLU 44 -18.998 -18.999 8.461 287 HA GLU 44 HA GLU 44 -16.973 -20.766 9.502 288 1HB GLU 44 1HB GLU 44 -19.536 -20.781 9.758 289 2HB GLU 44 2HB GLU 44 -19.575 -21.539 8.166 290 1HG GLU 44 1HG GLU 44 -19.594 -23.234 9.973 291 2HG GLU 44 2HG GLU 44 -18.138 -23.362 8.986 292 H GLY 45 H GLY 45 -15.403 -21.781 8.331 293 1HA GLY 45 1HA GLY 45 -16.011 -22.562 5.518 294 2HA GLY 45 2HA GLY 45 -14.787 -23.324 6.533 295 H GLU 46 H GLU 46 -14.581 -20.076 7.130 296 HA GLU 46 HA GLU 46 -12.723 -19.548 4.847 297 1HB GLU 46 1HB GLU 46 -14.183 -17.804 6.853 298 2HB GLU 46 2HB GLU 46 -13.020 -17.170 5.690 299 1HG GLU 46 1HG GLU 46 -14.955 -18.921 4.402 300 2HG GLU 46 2HG GLU 46 -15.754 -17.594 5.246 301 H TYR 47 H TYR 47 -10.540 -19.427 5.269 302 HA TYR 47 HA TYR 47 -9.498 -20.103 7.883 303 1HB TYR 47 1HB TYR 47 -8.396 -19.235 5.216 304 2HB TYR 47 2HB TYR 47 -7.323 -19.430 6.602 305 HD1 TYR 47 HD1 TYR 47 -8.424 -21.688 8.046 306 HD2 TYR 47 HD2 TYR 47 -8.089 -21.086 3.807 307 HE1 TYR 47 HE1 TYR 47 -8.423 -24.143 7.698 308 HE2 TYR 47 HE2 TYR 47 -8.087 -23.542 3.458 309 HH TYR 47 HH TYR 47 -7.641 -25.756 5.988 310 H ILE 48 H ILE 48 -8.787 -18.735 9.495 311 HA ILE 48 HA ILE 48 -9.569 -16.033 9.677 312 HB ILE 48 HB ILE 48 -7.224 -17.474 10.960 313 1HG1 ILE 48 1HG1 ILE 48 -9.874 -17.099 12.289 314 2HG1 ILE 48 2HG1 ILE 48 -9.752 -18.343 11.046 315 1HG2 ILE 48 1HG2 ILE 48 -7.202 -15.002 11.251 316 2HG2 ILE 48 2HG2 ILE 48 -8.837 -15.085 11.908 317 3HG2 ILE 48 3HG2 ILE 48 -7.500 -15.846 12.771 318 1HD1 ILE 48 1HD1 ILE 48 -7.606 -19.085 12.311 319 2HD1 ILE 48 2HD1 ILE 48 -8.244 -18.126 13.647 320 3HD1 ILE 48 3HD1 ILE 48 -9.169 -19.491 13.020 321 H LEU 49 H LEU 49 -6.139 -17.015 9.435 322 HA LEU 49 HA LEU 49 -4.968 -14.615 8.746 323 1HB LEU 49 1HB LEU 49 -3.653 -16.579 9.071 324 2HB LEU 49 2HB LEU 49 -4.491 -17.441 7.781 325 HG LEU 49 HG LEU 49 -3.212 -14.914 6.943 326 1HD1 LEU 49 1HD1 LEU 49 -1.694 -16.261 8.703 327 2HD1 LEU 49 2HD1 LEU 49 -1.331 -17.205 7.258 328 3HD1 LEU 49 3HD1 LEU 49 -1.005 -15.472 7.283 329 1HD2 LEU 49 1HD2 LEU 49 -4.298 -16.598 5.435 330 2HD2 LEU 49 2HD2 LEU 49 -2.616 -16.275 5.018 331 3HD2 LEU 49 3HD2 LEU 49 -3.041 -17.750 5.885 332 H GLU 50 H GLU 50 -7.058 -16.568 6.709 333 HA GLU 50 HA GLU 50 -6.349 -15.211 4.216 334 1HB GLU 50 1HB GLU 50 -8.235 -17.292 5.212 335 2HB GLU 50 2HB GLU 50 -8.690 -16.463 3.724 336 1HG GLU 50 1HG GLU 50 -5.906 -17.559 4.081 337 2HG GLU 50 2HG GLU 50 -7.221 -18.604 3.544 338 H ALA 51 H ALA 51 -9.272 -15.222 6.300 339 HA ALA 51 HA ALA 51 -10.670 -13.167 4.911 340 1HB ALA 51 1HB ALA 51 -11.449 -14.855 6.675 341 2HB ALA 51 2HB ALA 51 -10.789 -13.744 7.875 342 3HB ALA 51 3HB ALA 51 -12.105 -13.224 6.821 343 H ALA 52 H ALA 52 -8.347 -12.997 7.582 344 HA ALA 52 HA ALA 52 -8.669 -10.125 7.965 345 1HB ALA 52 1HB ALA 52 -7.566 -10.681 9.856 346 2HB ALA 52 2HB ALA 52 -7.494 -12.341 9.265 347 3HB ALA 52 3HB ALA 52 -6.172 -11.226 8.923 348 H GLU 53 H GLU 53 -6.490 -12.211 6.139 349 HA GLU 53 HA GLU 53 -4.523 -10.234 5.464 350 1HB GLU 53 1HB GLU 53 -4.148 -12.622 5.224 351 2HB GLU 53 2HB GLU 53 -5.503 -12.763 4.104 352 1HG GLU 53 1HG GLU 53 -4.234 -12.105 2.351 353 2HG GLU 53 2HG GLU 53 -3.583 -10.734 3.250 354 H ALA 54 H ALA 54 -7.689 -11.016 4.157 355 HA ALA 54 HA ALA 54 -7.377 -9.511 1.682 356 1HB ALA 54 1HB ALA 54 -9.192 -11.309 2.906 357 2HB ALA 54 2HB ALA 54 -9.278 -10.662 1.268 358 3HB ALA 54 3HB ALA 54 -10.103 -9.833 2.587 359 H GLN 55 H GLN 55 -7.772 -8.594 4.930 360 HA GLN 55 HA GLN 55 -9.186 -6.061 4.222 361 1HB GLN 55 1HB GLN 55 -8.437 -7.252 6.911 362 2HB GLN 55 2HB GLN 55 -9.557 -5.919 6.628 363 1HG GLN 55 1HG GLN 55 -9.896 -8.811 5.788 364 2HG GLN 55 2HG GLN 55 -10.881 -7.911 6.941 365 2HE2 GLN 55 2HE2 GLN 55 -10.884 -5.442 5.241 366 1HE2 GLN 55 1HE2 GLN 55 -11.930 -5.777 3.947 367 H GLY 56 H GLY 56 -6.092 -7.331 5.329 368 1HA GLY 56 1HA GLY 56 -5.083 -4.532 5.606 369 2HA GLY 56 2HA GLY 56 -4.219 -5.697 4.605 370 H TYR 57 H TYR 57 -5.447 -7.500 7.060 371 HA TYR 57 HA TYR 57 -3.610 -6.815 9.220 372 1HB TYR 57 1HB TYR 57 -5.343 -9.227 8.600 373 2HB TYR 57 2HB TYR 57 -4.523 -8.965 10.139 374 HD1 TYR 57 HD1 TYR 57 -4.821 -6.046 10.485 375 HD2 TYR 57 HD2 TYR 57 -7.634 -8.975 9.089 376 HE1 TYR 57 HE1 TYR 57 -6.693 -4.602 11.233 377 HE2 TYR 57 HE2 TYR 57 -9.506 -7.535 9.837 378 HH TYR 57 HH TYR 57 -9.966 -5.742 11.321 379 H ASP 58 H ASP 58 -1.777 -8.107 9.885 380 HA ASP 58 HA ASP 58 -0.613 -9.799 7.693 381 1HB ASP 58 1HB ASP 58 1.518 -8.858 8.288 382 2HB ASP 58 2HB ASP 58 0.389 -7.506 8.202 383 H TRP 59 H TRP 59 0.087 -11.839 8.300 384 HA TRP 59 HA TRP 59 0.272 -12.459 11.227 385 1HB TRP 59 1HB TRP 59 -1.024 -14.208 9.116 386 2HB TRP 59 2HB TRP 59 -1.056 -14.446 10.862 387 HD1 TRP 59 HD1 TRP 59 -2.155 -11.748 8.317 388 HE1 TRP 59 HE1 TRP 59 -4.353 -10.709 9.163 389 HE3 TRP 59 HE3 TRP 59 -2.691 -14.267 12.726 390 HZ2 TRP 59 HZ2 TRP 59 -6.108 -10.910 11.410 391 HZ3 TRP 59 HZ3 TRP 59 -4.635 -13.825 14.197 392 HH2 TRP 59 HH2 TRP 59 -6.344 -12.151 13.544 393 HA PRO 60 HA PRO 60 3.986 -14.457 9.949 394 1HB PRO 60 1HB PRO 60 4.299 -16.186 12.052 395 2HB PRO 60 2HB PRO 60 4.616 -14.445 12.178 396 1HG PRO 60 1HG PRO 60 2.249 -16.017 13.066 397 2HG PRO 60 2HG PRO 60 3.040 -14.637 13.839 398 1HD PRO 60 1HD PRO 60 0.712 -14.467 12.398 399 2HD PRO 60 2HD PRO 60 1.843 -13.116 12.619 400 H PHE 61 H PHE 61 4.402 -16.258 8.648 401 HA PHE 61 HA PHE 61 2.892 -18.764 9.017 402 1HB PHE 61 1HB PHE 61 1.770 -18.607 6.861 403 2HB PHE 61 2HB PHE 61 1.394 -17.155 7.790 404 HD1 PHE 61 HD1 PHE 61 3.729 -18.499 5.197 405 HD2 PHE 61 HD2 PHE 61 1.927 -15.015 6.949 406 HE1 PHE 61 HE1 PHE 61 4.694 -17.094 3.395 407 HE2 PHE 61 HE2 PHE 61 2.892 -13.610 5.147 408 HZ PHE 61 HZ PHE 61 4.275 -14.650 3.370 409 H SER 62 H SER 62 3.879 -20.500 7.891 410 HA SER 62 HA SER 62 6.201 -19.871 6.131 411 1HB SER 62 1HB SER 62 6.171 -21.333 8.772 412 2HB SER 62 2HB SER 62 7.434 -21.642 7.580 413 HG SER 62 HG SER 62 6.832 -19.275 8.972 414 H CYS 63 H CYS 63 4.623 -22.662 7.743 415 HA CYS 63 HA CYS 63 5.051 -24.349 5.399 416 1HB CYS 63 1HB CYS 63 4.499 -26.051 6.872 417 2HB CYS 63 2HB CYS 63 5.008 -24.806 8.007 418 H ARG 64 H ARG 64 2.248 -22.676 6.847 419 HA ARG 64 HA ARG 64 0.121 -22.198 5.920 420 1HB ARG 64 1HB ARG 64 1.511 -22.942 3.335 421 2HB ARG 64 2HB ARG 64 0.164 -21.822 3.540 422 1HG ARG 64 1HG ARG 64 1.883 -20.645 5.210 423 2HG ARG 64 2HG ARG 64 3.061 -21.447 4.171 424 1HD ARG 64 1HD ARG 64 2.675 -19.293 3.173 425 2HD ARG 64 2HD ARG 64 1.741 -20.436 2.190 426 HE ARG 64 HE ARG 64 -0.083 -19.768 4.098 427 1HH1 ARG 64 1HH1 ARG 64 0.186 -17.372 5.060 428 2HH1 ARG 64 2HH1 ARG 64 0.018 -16.191 3.805 429 1HH2 ARG 64 1HH2 ARG 64 0.517 -18.464 1.234 430 2HH2 ARG 64 2HH2 ARG 64 0.204 -16.810 1.638 431 H ALA 65 H ALA 65 0.764 -25.041 6.655 432 HA ALA 65 HA ALA 65 -1.402 -26.348 5.093 433 1HB ALA 65 1HB ALA 65 0.176 -28.428 5.319 434 2HB ALA 65 2HB ALA 65 1.438 -27.224 5.580 435 3HB ALA 65 3HB ALA 65 0.524 -27.231 4.072 436 H GLY 66 H GLY 66 -0.331 -25.383 8.080 437 1HA GLY 66 1HA GLY 66 -2.203 -27.136 9.465 438 2HA GLY 66 2HA GLY 66 -1.217 -25.879 10.212 439 H ALA 67 H ALA 67 1.331 -26.830 9.275 440 HA ALA 67 HA ALA 67 1.545 -29.401 10.806 441 1HB ALA 67 1HB ALA 67 1.863 -29.226 8.185 442 2HB ALA 67 2HB ALA 67 2.962 -30.219 9.143 443 3HB ALA 67 3HB ALA 67 3.453 -28.605 8.629 444 H CYS 68 H CYS 68 2.222 -26.201 11.046 445 HA CYS 68 HA CYS 68 4.601 -26.733 12.753 446 1HB CYS 68 1HB CYS 68 5.970 -25.271 11.581 447 2HB CYS 68 2HB CYS 68 4.986 -25.890 10.260 448 H ALA 69 H ALA 69 5.112 -24.264 13.770 449 HA ALA 69 HA ALA 69 2.440 -23.321 14.776 450 1HB ALA 69 1HB ALA 69 5.074 -23.669 16.239 451 2HB ALA 69 2HB ALA 69 3.578 -23.079 16.962 452 3HB ALA 69 3HB ALA 69 3.676 -24.737 16.368 453 H ASN 70 H ASN 70 4.780 -22.283 12.818 454 HA ASN 70 HA ASN 70 5.808 -19.860 13.860 455 1HB ASN 70 1HB ASN 70 5.224 -21.078 11.210 456 2HB ASN 70 2HB ASN 70 5.476 -19.332 11.221 457 2HD2 ASN 70 2HD2 ASN 70 7.018 -21.865 13.267 458 1HD2 ASN 70 1HD2 ASN 70 8.604 -21.498 12.786 459 H CYS 71 H CYS 71 2.678 -20.561 12.323 460 HA CYS 71 HA CYS 71 1.817 -17.741 12.488 461 1HB CYS 71 1HB CYS 71 -0.120 -18.587 11.306 462 2HB CYS 71 2HB CYS 71 1.296 -19.385 10.622 463 H ALA 72 H ALA 72 2.314 -19.832 14.831 464 HA ALA 72 HA ALA 72 0.053 -20.507 16.257 465 1HB ALA 72 1HB ALA 72 2.719 -19.353 17.075 466 2HB ALA 72 2HB ALA 72 2.203 -21.040 17.094 467 3HB ALA 72 3HB ALA 72 1.550 -19.905 18.275 468 H SER 73 H SER 73 -1.282 -19.480 17.796 469 HA SER 73 HA SER 73 -1.212 -16.492 17.955 470 1HB SER 73 1HB SER 73 -3.706 -18.143 17.474 471 2HB SER 73 2HB SER 73 -3.535 -16.392 17.352 472 HG SER 73 HG SER 73 -2.163 -16.703 15.583 473 H ILE 74 H ILE 74 -3.537 -16.238 19.500 474 HA ILE 74 HA ILE 74 -3.254 -18.118 21.787 475 HB ILE 74 HB ILE 74 -2.816 -15.117 21.900 476 1HG1 ILE 74 1HG1 ILE 74 -0.883 -16.472 21.089 477 2HG1 ILE 74 2HG1 ILE 74 -0.566 -15.716 22.649 478 1HG2 ILE 74 1HG2 ILE 74 -3.968 -16.730 23.844 479 2HG2 ILE 74 2HG2 ILE 74 -2.267 -16.692 24.306 480 3HG2 ILE 74 3HG2 ILE 74 -3.167 -15.186 24.135 481 1HD1 ILE 74 1HD1 ILE 74 -1.519 -18.574 22.272 482 2HD1 ILE 74 2HD1 ILE 74 0.148 -18.101 22.603 483 3HD1 ILE 74 3HD1 ILE 74 -1.107 -17.805 23.805 484 H VAL 75 H VAL 75 -5.508 -18.499 20.738 485 HA VAL 75 HA VAL 75 -7.623 -16.672 20.685 486 HB VAL 75 HB VAL 75 -7.652 -19.063 19.982 487 1HG1 VAL 75 1HG1 VAL 75 -6.489 -19.807 22.145 488 2HG1 VAL 75 2HG1 VAL 75 -8.079 -19.713 22.903 489 3HG1 VAL 75 3HG1 VAL 75 -7.803 -20.831 21.568 490 1HG2 VAL 75 1HG2 VAL 75 -9.725 -17.551 21.051 491 2HG2 VAL 75 2HG2 VAL 75 -9.910 -19.030 20.108 492 3HG2 VAL 75 3HG2 VAL 75 -9.886 -19.104 21.870 493 H LYS 76 H LYS 76 -8.142 -15.227 22.310 494 HA LYS 76 HA LYS 76 -7.620 -15.871 25.130 495 1HB LYS 76 1HB LYS 76 -7.206 -13.641 24.241 496 2HB LYS 76 2HB LYS 76 -8.874 -13.520 23.679 497 1HG LYS 76 1HG LYS 76 -8.745 -14.200 26.509 498 2HG LYS 76 2HG LYS 76 -7.903 -12.689 26.167 499 1HD LYS 76 1HD LYS 76 -9.997 -12.068 24.779 500 2HD LYS 76 2HD LYS 76 -10.788 -13.394 25.630 501 1HE LYS 76 1HE LYS 76 -10.032 -12.304 27.807 502 2HE LYS 76 2HE LYS 76 -9.558 -10.896 26.837 503 1HZ LYS 76 1HZ LYS 76 -11.983 -11.464 25.838 504 2HZ LYS 76 2HZ LYS 76 -12.207 -11.908 27.462 505 3HZ LYS 76 3HZ LYS 76 -11.716 -10.330 27.074 506 H GLU 77 H GLU 77 -10.207 -16.358 22.954 507 HA GLU 77 HA GLU 77 -11.919 -17.526 24.946 508 1HB GLU 77 1HB GLU 77 -11.889 -14.832 25.142 509 2HB GLU 77 2HB GLU 77 -13.151 -15.012 23.923 510 1HG GLU 77 1HG GLU 77 -14.493 -16.352 25.364 511 2HG GLU 77 2HG GLU 77 -13.159 -16.614 26.487 512 H GLY 78 H GLY 78 -14.110 -18.064 23.961 513 1HA GLY 78 1HA GLY 78 -14.304 -17.758 21.035 514 2HA GLY 78 2HA GLY 78 -15.519 -18.493 22.081 515 H GLU 79 H GLU 79 -14.692 -19.731 19.682 516 HA GLU 79 HA GLU 79 -12.823 -21.898 20.507 517 1HB GLU 79 1HB GLU 79 -14.965 -22.687 21.259 518 2HB GLU 79 2HB GLU 79 -15.747 -22.172 19.764 519 1HG GLU 79 1HG GLU 79 -14.376 -23.817 18.505 520 2HG GLU 79 2HG GLU 79 -13.656 -24.356 20.022 521 H ILE 80 H ILE 80 -11.781 -22.840 18.723 522 HA ILE 80 HA ILE 80 -12.587 -21.812 16.020 523 HB ILE 80 HB ILE 80 -9.885 -22.185 17.337 524 1HG1 ILE 80 1HG1 ILE 80 -10.903 -19.750 15.889 525 2HG1 ILE 80 2HG1 ILE 80 -11.390 -20.055 17.557 526 1HG2 ILE 80 1HG2 ILE 80 -10.591 -22.515 14.569 527 2HG2 ILE 80 2HG2 ILE 80 -9.624 -21.051 14.744 528 3HG2 ILE 80 3HG2 ILE 80 -8.993 -22.598 15.311 529 1HD1 ILE 80 1HD1 ILE 80 -8.485 -20.278 16.886 530 2HD1 ILE 80 2HD1 ILE 80 -9.186 -18.663 16.992 531 3HD1 ILE 80 3HD1 ILE 80 -9.252 -19.746 18.382 532 H ASP 81 H ASP 81 -12.458 -23.329 14.317 533 HA ASP 81 HA ASP 81 -12.296 -26.173 15.162 534 1HB ASP 81 1HB ASP 81 -14.219 -25.183 13.864 535 2HB ASP 81 2HB ASP 81 -13.106 -24.914 12.523 536 H MET 82 H MET 82 -10.606 -27.487 14.535 537 HA MET 82 HA MET 82 -8.515 -26.284 12.760 538 1HB MET 82 1HB MET 82 -8.537 -27.653 15.284 539 2HB MET 82 2HB MET 82 -7.633 -28.629 14.126 540 1HG MET 82 1HG MET 82 -5.885 -27.235 14.409 541 2HG MET 82 2HG MET 82 -6.846 -25.958 13.663 542 1HE MET 82 1HE MET 82 -5.744 -27.828 16.660 543 2HE MET 82 2HE MET 82 -4.646 -26.450 16.613 544 3HE MET 82 3HE MET 82 -5.746 -26.663 17.982 545 H ASP 83 H ASP 83 -7.207 -28.260 11.680 546 HA ASP 83 HA ASP 83 -9.239 -29.798 10.140 547 1HB ASP 83 1HB ASP 83 -7.484 -29.963 8.496 548 2HB ASP 83 2HB ASP 83 -7.456 -28.308 9.106 549 H MET 84 H MET 84 -8.077 -32.024 9.352 550 HA MET 84 HA MET 84 -7.972 -33.724 11.682 551 1HB MET 84 1HB MET 84 -8.535 -34.029 9.062 552 2HB MET 84 2HB MET 84 -6.867 -34.603 9.057 553 1HG MET 84 1HG MET 84 -7.740 -35.919 11.228 554 2HG MET 84 2HG MET 84 -9.275 -35.773 10.373 555 1HE MET 84 1HE MET 84 -10.010 -37.467 9.762 556 2HE MET 84 2HE MET 84 -9.718 -37.855 8.061 557 3HE MET 84 3HE MET 84 -9.226 -38.983 9.321 558 H GLN 85 H GLN 85 -6.142 -32.430 12.757 559 HA GLN 85 HA GLN 85 -3.650 -33.879 12.517 560 1HB GLN 85 1HB GLN 85 -4.074 -31.868 10.633 561 2HB GLN 85 2HB GLN 85 -3.063 -31.092 11.852 562 1HG GLN 85 1HG GLN 85 -1.323 -32.659 11.583 563 2HG GLN 85 2HG GLN 85 -2.385 -33.841 10.817 564 2HE2 GLN 85 2HE2 GLN 85 -0.283 -33.521 9.265 565 1HE2 GLN 85 1HE2 GLN 85 -0.531 -32.428 7.991 566 H GLN 86 H GLN 86 -1.975 -32.911 14.023 567 HA GLN 86 HA GLN 86 -2.858 -30.811 15.876 568 1HB GLN 86 1HB GLN 86 -4.073 -33.002 16.443 569 2HB GLN 86 2HB GLN 86 -2.494 -33.626 16.924 570 1HG GLN 86 1HG GLN 86 -2.452 -32.382 18.828 571 2HG GLN 86 2HG GLN 86 -3.126 -30.965 18.024 572 2HE2 GLN 86 2HE2 GLN 86 -5.573 -32.025 17.065 573 1HE2 GLN 86 1HE2 GLN 86 -6.542 -32.470 18.386 574 H ILE 87 H ILE 87 -0.703 -30.114 14.934 575 HA ILE 87 HA ILE 87 1.682 -31.614 15.786 576 HB ILE 87 HB ILE 87 2.836 -29.918 14.517 577 1HG1 ILE 87 1HG1 ILE 87 1.008 -28.063 13.642 578 2HG1 ILE 87 2HG1 ILE 87 0.489 -28.321 15.307 579 1HG2 ILE 87 1HG2 ILE 87 0.733 -31.436 13.480 580 2HG2 ILE 87 2HG2 ILE 87 0.475 -29.826 12.809 581 3HG2 ILE 87 3HG2 ILE 87 2.010 -30.653 12.548 582 1HD1 ILE 87 1HD1 ILE 87 3.416 -27.998 14.801 583 2HD1 ILE 87 2HD1 ILE 87 2.404 -26.557 14.701 584 3HD1 ILE 87 3HD1 ILE 87 2.456 -27.495 16.193 585 H LEU 88 H LEU 88 -0.255 -28.925 16.914 586 HA LEU 88 HA LEU 88 1.767 -27.854 18.734 587 1HB LEU 88 1HB LEU 88 -1.196 -27.490 18.260 588 2HB LEU 88 2HB LEU 88 -0.371 -26.663 19.582 589 HG LEU 88 HG LEU 88 0.441 -26.504 16.662 590 1HD1 LEU 88 1HD1 LEU 88 -1.748 -25.315 17.805 591 2HD1 LEU 88 2HD1 LEU 88 -0.504 -24.095 18.080 592 3HD1 LEU 88 3HD1 LEU 88 -0.853 -24.646 16.441 593 1HD2 LEU 88 1HD2 LEU 88 1.801 -25.885 19.111 594 2HD2 LEU 88 2HD2 LEU 88 2.363 -25.646 17.457 595 3HD2 LEU 88 3HD2 LEU 88 1.446 -24.377 18.268 596 H SER 89 H SER 89 1.371 -27.865 21.144 597 HA SER 89 HA SER 89 0.553 -30.586 22.020 598 1HB SER 89 1HB SER 89 2.690 -28.947 22.555 599 2HB SER 89 2HB SER 89 1.656 -28.645 23.951 600 HG SER 89 HG SER 89 1.972 -31.283 23.135 601 H ASP 90 H ASP 90 -1.301 -30.915 23.210 602 HA ASP 90 HA ASP 90 -3.440 -29.170 23.415 603 1HB ASP 90 1HB ASP 90 -4.158 -30.619 25.287 604 2HB ASP 90 2HB ASP 90 -3.417 -31.581 24.007 605 H GLU 91 H GLU 91 -0.609 -29.342 25.517 606 HA GLU 91 HA GLU 91 -1.461 -27.686 27.654 607 1HB GLU 91 1HB GLU 91 0.820 -29.012 26.835 608 2HB GLU 91 2HB GLU 91 1.310 -27.322 26.713 609 1HG GLU 91 1HG GLU 91 0.141 -27.165 29.092 610 2HG GLU 91 2HG GLU 91 0.491 -28.893 29.127 611 H GLU 92 H GLU 92 -0.169 -26.876 24.452 612 HA GLU 92 HA GLU 92 -0.040 -24.008 24.942 613 1HB GLU 92 1HB GLU 92 0.126 -25.880 22.583 614 2HB GLU 92 2HB GLU 92 0.076 -24.135 22.326 615 1HG GLU 92 1HG GLU 92 2.085 -23.794 23.559 616 2HG GLU 92 2HG GLU 92 2.032 -25.420 24.240 617 H VAL 93 H VAL 93 -2.442 -26.268 23.703 618 HA VAL 93 HA VAL 93 -4.243 -24.196 22.692 619 HB VAL 93 HB VAL 93 -4.609 -27.146 23.316 620 1HG1 VAL 93 1HG1 VAL 93 -6.306 -25.081 21.938 621 2HG1 VAL 93 2HG1 VAL 93 -6.391 -26.767 21.426 622 3HG1 VAL 93 3HG1 VAL 93 -6.790 -26.329 23.087 623 1HG2 VAL 93 1HG2 VAL 93 -2.821 -26.276 21.590 624 2HG2 VAL 93 2HG2 VAL 93 -3.888 -27.608 21.144 625 3HG2 VAL 93 3HG2 VAL 93 -4.232 -25.974 20.576 626 H GLU 94 H GLU 94 -3.539 -25.556 25.774 627 HA GLU 94 HA GLU 94 -6.145 -24.536 26.859 628 1HB GLU 94 1HB GLU 94 -5.832 -26.956 27.063 629 2HB GLU 94 2HB GLU 94 -4.255 -26.711 27.814 630 1HG GLU 94 1HG GLU 94 -5.901 -25.153 29.385 631 2HG GLU 94 2HG GLU 94 -6.943 -26.521 28.994 632 H GLU 95 H GLU 95 -2.625 -24.626 27.275 633 HA GLU 95 HA GLU 95 -2.799 -22.821 29.631 634 1HB GLU 95 1HB GLU 95 -1.287 -24.946 29.214 635 2HB GLU 95 2HB GLU 95 -0.266 -23.800 28.346 636 1HG GLU 95 1HG GLU 95 -1.229 -22.881 30.992 637 2HG GLU 95 2HG GLU 95 -0.101 -24.236 31.031 638 H LYS 96 H LYS 96 -2.069 -22.734 26.208 639 HA LYS 96 HA LYS 96 -1.239 -19.864 26.513 640 1HB LYS 96 1HB LYS 96 -0.308 -22.062 24.647 641 2HB LYS 96 2HB LYS 96 0.096 -20.363 24.400 642 1HG LYS 96 1HG LYS 96 1.039 -20.330 26.740 643 2HG LYS 96 2HG LYS 96 0.795 -22.076 26.801 644 1HD LYS 96 1HD LYS 96 2.145 -22.085 24.559 645 2HD LYS 96 2HD LYS 96 2.690 -20.491 25.083 646 1HE LYS 96 1HE LYS 96 3.241 -21.668 27.347 647 2HE LYS 96 2HE LYS 96 3.152 -23.167 26.403 648 1HZ LYS 96 1HZ LYS 96 4.684 -20.805 25.476 649 2HZ LYS 96 2HZ LYS 96 5.391 -21.989 26.467 650 3HZ LYS 96 3HZ LYS 96 4.798 -22.410 24.932 651 H ASP 97 H ASP 97 -3.523 -22.032 25.214 652 HA ASP 97 HA ASP 97 -5.349 -21.693 23.747 653 1HB ASP 97 1HB ASP 97 -4.786 -18.752 23.731 654 2HB ASP 97 2HB ASP 97 -6.313 -19.600 23.977 655 H VAL 98 H VAL 98 -2.784 -22.218 22.539 656 HA VAL 98 HA VAL 98 -2.512 -20.312 20.304 657 HB VAL 98 HB VAL 98 -1.100 -22.947 20.772 658 1HG1 VAL 98 1HG1 VAL 98 -0.911 -21.487 18.603 659 2HG1 VAL 98 2HG1 VAL 98 0.066 -20.425 19.617 660 3HG1 VAL 98 3HG1 VAL 98 0.562 -22.098 19.355 661 1HG2 VAL 98 1HG2 VAL 98 -1.047 -20.466 22.332 662 2HG2 VAL 98 2HG2 VAL 98 -0.390 -22.054 22.729 663 3HG2 VAL 98 3HG2 VAL 98 0.547 -20.935 21.738 664 H ARG 99 H ARG 99 -2.895 -20.868 18.110 665 HA ARG 99 HA ARG 99 -4.113 -23.506 17.497 666 1HB ARG 99 1HB ARG 99 -5.532 -21.007 17.948 667 2HB ARG 99 2HB ARG 99 -5.819 -21.610 16.316 668 1HG ARG 99 1HG ARG 99 -7.159 -23.242 17.098 669 2HG ARG 99 2HG ARG 99 -5.908 -23.792 18.213 670 1HD ARG 99 1HD ARG 99 -6.673 -22.398 19.952 671 2HD ARG 99 2HD ARG 99 -7.525 -21.316 18.834 672 HE ARG 99 HE ARG 99 -8.777 -23.718 18.392 673 1HH1 ARG 99 1HH1 ARG 99 -7.977 -24.614 21.112 674 2HH1 ARG 99 2HH1 ARG 99 -9.285 -24.047 22.095 675 1HH2 ARG 99 1HH2 ARG 99 -10.469 -21.829 19.707 676 2HH2 ARG 99 2HH2 ARG 99 -10.695 -22.470 21.300 677 H LEU 100 H LEU 100 -4.729 -23.431 15.005 678 HA LEU 100 HA LEU 100 -2.357 -22.332 13.586 679 1HB LEU 100 1HB LEU 100 -4.556 -24.214 12.670 680 2HB LEU 100 2HB LEU 100 -3.000 -23.953 11.881 681 HG LEU 100 HG LEU 100 -2.729 -24.657 14.712 682 1HD1 LEU 100 1HD1 LEU 100 -4.796 -25.991 13.447 683 2HD1 LEU 100 2HD1 LEU 100 -3.421 -27.062 13.177 684 3HD1 LEU 100 3HD1 LEU 100 -3.876 -26.608 14.820 685 1HD2 LEU 100 1HD2 LEU 100 -1.550 -25.333 12.060 686 2HD2 LEU 100 2HD2 LEU 100 -0.748 -24.888 13.566 687 3HD2 LEU 100 3HD2 LEU 100 -1.364 -26.526 13.345 688 H THR 101 H THR 101 -2.737 -20.230 12.932 689 HA THR 101 HA THR 101 -5.394 -19.263 12.212 690 HB THR 101 HB THR 101 -3.302 -17.531 11.332 691 HG1 THR 101 HG1 THR 101 -1.772 -17.806 12.738 692 1HG2 THR 101 1HG2 THR 101 -5.136 -17.649 13.726 693 2HG2 THR 101 2HG2 THR 101 -4.019 -16.308 13.472 694 3HG2 THR 101 3HG2 THR 101 -5.282 -16.640 12.287 695 H CYS 102 H CYS 102 -2.658 -20.611 10.469 696 HA CYS 102 HA CYS 102 -3.414 -19.573 7.858 697 1HB CYS 102 1HB CYS 102 -1.707 -21.218 7.108 698 2HB CYS 102 2HB CYS 102 -1.127 -20.251 8.464 699 H ILE 103 H ILE 103 -4.215 -22.448 9.740 700 HA ILE 103 HA ILE 103 -6.121 -23.246 7.569 701 HB ILE 103 HB ILE 103 -5.457 -25.581 7.995 702 1HG1 ILE 103 1HG1 ILE 103 -3.069 -25.242 9.484 703 2HG1 ILE 103 2HG1 ILE 103 -4.334 -24.385 10.364 704 1HG2 ILE 103 1HG2 ILE 103 -3.113 -23.713 7.527 705 2HG2 ILE 103 2HG2 ILE 103 -3.120 -25.435 7.150 706 3HG2 ILE 103 3HG2 ILE 103 -4.205 -24.341 6.293 707 1HD1 ILE 103 1HD1 ILE 103 -5.146 -27.017 9.301 708 2HD1 ILE 103 2HD1 ILE 103 -3.896 -27.082 10.542 709 3HD1 ILE 103 3HD1 ILE 103 -5.441 -26.305 10.888 710 H GLY 104 H GLY 104 -6.562 -21.742 10.095 711 1HA GLY 104 1HA GLY 104 -7.471 -22.429 12.351 712 2HA GLY 104 2HA GLY 104 -8.284 -23.745 11.505 713 H SER 105 H SER 105 -10.422 -23.197 11.779 714 HA SER 105 HA SER 105 -11.269 -20.478 10.826 715 1HB SER 105 1HB SER 105 -12.789 -21.502 9.449 716 2HB SER 105 2HB SER 105 -11.704 -22.884 9.606 717 HG SER 105 HG SER 105 -13.076 -23.847 10.899 718 HA PRO 106 HA PRO 106 -13.200 -20.152 14.771 719 1HB PRO 106 1HB PRO 106 -15.093 -18.266 14.172 720 2HB PRO 106 2HB PRO 106 -13.371 -17.885 14.359 721 1HG PRO 106 1HG PRO 106 -14.973 -18.276 11.874 722 2HG PRO 106 2HG PRO 106 -13.697 -17.100 12.217 723 1HD PRO 106 1HD PRO 106 -13.302 -19.372 10.755 724 2HD PRO 106 2HD PRO 106 -12.023 -18.582 11.701 725 H ALA 107 H ALA 107 -14.741 -21.454 15.702 726 HA ALA 107 HA ALA 107 -16.949 -22.487 13.971 727 1HB ALA 107 1HB ALA 107 -16.578 -23.741 16.574 728 2HB ALA 107 2HB ALA 107 -16.458 -24.460 14.968 729 3HB ALA 107 3HB ALA 107 -15.059 -23.659 15.682 730 H ALA 108 H ALA 108 -16.373 -20.231 16.423 731 HA ALA 108 HA ALA 108 -19.181 -20.452 17.456 732 1HB ALA 108 1HB ALA 108 -17.474 -20.678 19.164 733 2HB ALA 108 2HB ALA 108 -18.204 -19.084 19.349 734 3HB ALA 108 3HB ALA 108 -16.629 -19.248 18.572 735 H ASP 109 H ASP 109 -20.070 -18.178 18.060 736 HA ASP 109 HA ASP 109 -20.013 -16.504 15.679 737 1HB ASP 109 1HB ASP 109 -21.185 -15.973 18.427 738 2HB ASP 109 2HB ASP 109 -21.699 -15.255 16.900 739 H GLU 110 H GLU 110 -19.286 -15.718 19.106 740 HA GLU 110 HA GLU 110 -17.439 -13.573 18.138 741 1HB GLU 110 1HB GLU 110 -19.158 -12.754 19.576 742 2HB GLU 110 2HB GLU 110 -18.979 -14.114 20.685 743 1HG GLU 110 1HG GLU 110 -16.480 -12.638 20.321 744 2HG GLU 110 2HG GLU 110 -17.772 -11.620 20.956 745 H VAL 111 H VAL 111 -15.249 -13.866 18.445 746 HA VAL 111 HA VAL 111 -14.344 -15.777 20.556 747 HB VAL 111 HB VAL 111 -13.392 -15.776 17.678 748 1HG1 VAL 111 1HG1 VAL 111 -12.000 -16.661 19.746 749 2HG1 VAL 111 2HG1 VAL 111 -13.099 -18.036 19.628 750 3HG1 VAL 111 3HG1 VAL 111 -12.076 -17.604 18.258 751 1HG2 VAL 111 1HG2 VAL 111 -15.437 -17.502 19.098 752 2HG2 VAL 111 2HG2 VAL 111 -15.693 -16.497 17.671 753 3HG2 VAL 111 3HG2 VAL 111 -14.691 -17.945 17.563 754 H LYS 112 H LYS 112 -12.342 -15.221 21.453 755 HA LYS 112 HA LYS 112 -11.125 -12.660 20.480 756 1HB LYS 112 1HB LYS 112 -11.123 -14.021 23.197 757 2HB LYS 112 2HB LYS 112 -10.374 -12.465 22.843 758 1HG LYS 112 1HG LYS 112 -13.321 -13.157 22.710 759 2HG LYS 112 2HG LYS 112 -12.540 -12.011 23.799 760 1HD LYS 112 1HD LYS 112 -11.742 -11.051 21.367 761 2HD LYS 112 2HD LYS 112 -13.341 -11.682 20.974 762 1HE LYS 112 1HE LYS 112 -13.501 -10.294 23.491 763 2HE LYS 112 2HE LYS 112 -12.733 -9.234 22.294 764 1HZ LYS 112 1HZ LYS 112 -14.979 -10.866 21.388 765 2HZ LYS 112 2HZ LYS 112 -15.357 -9.567 22.415 766 3HZ LYS 112 3HZ LYS 112 -14.547 -9.283 20.950 767 H ILE 113 H ILE 113 -8.940 -12.702 19.919 768 HA ILE 113 HA ILE 113 -7.193 -14.904 20.776 769 HB ILE 113 HB ILE 113 -8.482 -15.910 18.956 770 1HG1 ILE 113 1HG1 ILE 113 -6.051 -15.372 17.409 771 2HG1 ILE 113 2HG1 ILE 113 -5.719 -15.774 19.093 772 1HG2 ILE 113 1HG2 ILE 113 -8.396 -13.279 17.921 773 2HG2 ILE 113 2HG2 ILE 113 -7.527 -14.290 16.766 774 3HG2 ILE 113 3HG2 ILE 113 -9.190 -14.682 17.206 775 1HD1 ILE 113 1HD1 ILE 113 -7.473 -17.693 18.678 776 2HD1 ILE 113 2HD1 ILE 113 -7.070 -17.428 16.982 777 3HD1 ILE 113 3HD1 ILE 113 -5.811 -17.895 18.125 778 H VAL 114 H VAL 114 -5.014 -14.349 20.570 779 HA VAL 114 HA VAL 114 -4.456 -11.569 19.655 780 HB VAL 114 HB VAL 114 -2.567 -13.480 21.038 781 1HG1 VAL 114 1HG1 VAL 114 -2.925 -10.475 20.944 782 2HG1 VAL 114 2HG1 VAL 114 -1.834 -11.280 22.072 783 3HG1 VAL 114 3HG1 VAL 114 -1.562 -11.413 20.335 784 1HG2 VAL 114 1HG2 VAL 114 -5.096 -12.425 22.048 785 2HG2 VAL 114 2HG2 VAL 114 -4.022 -13.628 22.762 786 3HG2 VAL 114 3HG2 VAL 114 -3.724 -11.910 23.030 787 H TYR 115 H TYR 115 -3.124 -11.195 17.866 788 HA TYR 115 HA TYR 115 -2.316 -13.599 16.308 789 1HB TYR 115 1HB TYR 115 -2.798 -12.309 14.479 790 2HB TYR 115 2HB TYR 115 -3.708 -11.361 15.648 791 HD1 TYR 115 HD1 TYR 115 -2.268 -9.517 16.941 792 HD2 TYR 115 HD2 TYR 115 -1.250 -11.227 13.134 793 HE1 TYR 115 HE1 TYR 115 -0.840 -7.557 16.443 794 HE2 TYR 115 HE2 TYR 115 0.184 -9.265 12.638 795 HH TYR 115 HH TYR 115 0.728 -7.177 13.287 796 H ASN 116 H ASN 116 -0.162 -13.632 15.310 797 HA ASN 116 HA ASN 116 2.178 -13.252 15.263 798 1HB ASN 116 1HB ASN 116 1.134 -10.811 15.580 799 2HB ASN 116 2HB ASN 116 1.877 -10.967 17.172 800 2HD2 ASN 116 2HD2 ASN 116 2.780 -9.138 15.039 801 1HD2 ASN 116 1HD2 ASN 116 4.363 -9.601 14.640 802 H ALA 117 H ALA 117 1.341 -15.226 16.922 803 HA ALA 117 HA ALA 117 2.010 -14.862 19.715 804 1HB ALA 117 1HB ALA 117 1.565 -17.183 19.829 805 2HB ALA 117 2HB ALA 117 0.580 -16.647 18.468 806 3HB ALA 117 3HB ALA 117 2.119 -17.457 18.177 807 H LYS 118 H LYS 118 3.878 -15.580 16.839 808 HA LYS 118 HA LYS 118 6.150 -16.875 17.765 809 1HB LYS 118 1HB LYS 118 7.323 -15.279 16.091 810 2HB LYS 118 2HB LYS 118 5.994 -16.261 15.477 811 1HG LYS 118 1HG LYS 118 4.520 -14.451 15.392 812 2HG LYS 118 2HG LYS 118 5.419 -13.535 16.602 813 1HD LYS 118 1HD LYS 118 6.503 -14.171 13.845 814 2HD LYS 118 2HD LYS 118 5.667 -12.668 14.239 815 1HE LYS 118 1HE LYS 118 7.690 -13.181 16.237 816 2HE LYS 118 2HE LYS 118 8.419 -13.232 14.620 817 H HIS 119 H HIS 119 5.053 -13.650 18.578 818 HA HIS 119 HA HIS 119 7.501 -12.543 19.564 819 1HB HIS 119 1HB HIS 119 4.556 -12.146 20.104 820 2HB HIS 119 2HB HIS 119 5.771 -11.193 20.957 821 HD1 HIS 119 HD1 HIS 119 7.760 -10.404 18.946 822 HD2 HIS 119 HD2 HIS 119 3.721 -10.660 17.941 823 HE1 HIS 119 HE1 HIS 119 7.444 -8.976 16.879 824 H LEU 120 H LEU 120 5.341 -14.956 20.851 825 HA LEU 120 HA LEU 120 5.572 -14.870 23.594 826 1HB LEU 120 1HB LEU 120 4.960 -16.737 21.630 827 2HB LEU 120 2HB LEU 120 6.291 -17.495 22.504 828 HG LEU 120 HG LEU 120 4.802 -16.518 24.575 829 1HD1 LEU 120 1HD1 LEU 120 3.118 -16.145 22.430 830 2HD1 LEU 120 2HD1 LEU 120 2.617 -17.731 23.016 831 3HD1 LEU 120 3HD1 LEU 120 2.587 -16.341 24.101 832 1HD2 LEU 120 1HD2 LEU 120 5.308 -19.076 23.302 833 2HD2 LEU 120 2HD2 LEU 120 5.139 -18.703 25.017 834 3HD2 LEU 120 3HD2 LEU 120 3.709 -19.052 24.044 835 H ASP 121 H ASP 121 7.224 -15.047 25.096 836 HA ASP 121 HA ASP 121 9.957 -14.706 24.330 837 1HB ASP 121 1HB ASP 121 8.616 -15.628 26.890 838 2HB ASP 121 2HB ASP 121 10.313 -15.160 26.782 839 H TYR 122 H TYR 122 8.009 -17.572 24.702 840 HA TYR 122 HA TYR 122 10.131 -19.456 25.229 841 1HB TYR 122 1HB TYR 122 7.433 -19.489 25.267 842 2HB TYR 122 2HB TYR 122 7.703 -20.247 23.698 843 HD1 TYR 122 HD1 TYR 122 9.572 -22.117 23.658 844 HD2 TYR 122 HD2 TYR 122 7.495 -20.822 27.186 845 HE1 TYR 122 HE1 TYR 122 10.161 -24.246 24.785 846 HE2 TYR 122 HE2 TYR 122 8.083 -22.951 28.314 847 HH TYR 122 HH TYR 122 8.767 -25.540 27.109 848 H LEU 123 H LEU 123 8.860 -17.985 22.296 849 HA LEU 123 HA LEU 123 10.448 -19.830 20.585 850 1HB LEU 123 1HB LEU 123 8.165 -17.946 20.318 851 2HB LEU 123 2HB LEU 123 9.212 -18.094 18.907 852 HG LEU 123 HG LEU 123 7.995 -20.456 20.369 853 1HD1 LEU 123 1HD1 LEU 123 7.107 -18.939 17.904 854 2HD1 LEU 123 2HD1 LEU 123 6.562 -20.577 18.265 855 3HD1 LEU 123 3HD1 LEU 123 6.176 -19.256 19.368 856 1HD2 LEU 123 1HD2 LEU 123 9.912 -20.094 18.155 857 2HD2 LEU 123 2HD2 LEU 123 9.652 -21.490 19.200 858 3HD2 LEU 123 3HD2 LEU 123 8.604 -21.226 17.806 859 H GLN 124 H GLN 124 10.275 -16.421 21.553 860 HA GLN 124 HA GLN 124 11.957 -15.117 19.802 861 1HB GLN 124 1HB GLN 124 10.844 -14.584 22.195 862 2HB GLN 124 2HB GLN 124 12.520 -14.777 22.708 863 1HG GLN 124 1HG GLN 124 13.145 -12.826 21.745 864 2HG GLN 124 2HG GLN 124 12.257 -13.183 20.264 865 2HE2 GLN 124 2HE2 GLN 124 12.247 -10.574 21.559 866 1HE2 GLN 124 1HE2 GLN 124 10.658 -10.268 22.073 867 H ASN 125 H ASN 125 12.893 -17.574 22.145 868 HA ASN 125 HA ASN 125 15.721 -17.110 22.146 869 1HB ASN 125 1HB ASN 125 14.441 -18.482 23.769 870 2HB ASN 125 2HB ASN 125 14.122 -19.665 22.501 871 2HD2 ASN 125 2HD2 ASN 125 16.973 -17.961 23.940 872 1HD2 ASN 125 1HD2 ASN 125 17.989 -19.321 23.892 873 H ARG 126 H ARG 126 13.621 -18.478 19.746 874 HA ARG 126 HA ARG 126 15.487 -20.219 18.419 875 1HB ARG 126 1HB ARG 126 12.825 -19.123 18.085 876 2HB ARG 126 2HB ARG 126 13.681 -19.130 16.544 877 1HG ARG 126 1HG ARG 126 13.993 -21.578 18.182 878 2HG ARG 126 2HG ARG 126 12.372 -21.295 17.546 879 1HD ARG 126 1HD ARG 126 13.034 -21.645 15.374 880 2HD ARG 126 2HD ARG 126 14.607 -20.866 15.626 881 HE ARG 126 HE ARG 126 15.214 -22.976 16.946 882 1HH1 ARG 126 1HH1 ARG 126 12.437 -24.171 16.704 883 2HH1 ARG 126 2HH1 ARG 126 12.666 -25.312 15.421 884 1HH2 ARG 126 1HH2 ARG 126 15.655 -23.914 14.357 885 2HH2 ARG 126 2HH2 ARG 126 14.489 -25.167 14.092 886 H VAL 127 H VAL 127 15.233 -16.770 18.565 887 HA VAL 127 HA VAL 127 16.184 -15.871 16.094 888 HB VAL 127 HB VAL 127 16.745 -15.031 18.948 889 1HG1 VAL 127 1HG1 VAL 127 17.424 -13.562 16.380 890 2HG1 VAL 127 2HG1 VAL 127 17.548 -12.886 18.005 891 3HG1 VAL 127 3HG1 VAL 127 18.587 -14.229 17.527 892 1HG2 VAL 127 1HG2 VAL 127 14.488 -14.860 17.323 893 2HG2 VAL 127 2HG2 VAL 127 14.792 -13.905 18.775 894 3HG2 VAL 127 3HG2 VAL 127 15.223 -13.262 17.190 895 H ILE 128 H ILE 128 18.109 -16.109 14.998 896 HA ILE 128 HA ILE 128 20.233 -17.764 16.220 897 HB ILE 128 HB ILE 128 19.319 -18.124 13.919 898 1HG1 ILE 128 1HG1 ILE 128 22.080 -17.290 13.310 899 2HG1 ILE 128 2HG1 ILE 128 21.929 -18.277 14.764 900 1HG2 ILE 128 1HG2 ILE 128 19.329 -15.420 13.717 901 2HG2 ILE 128 2HG2 ILE 128 20.837 -15.793 12.882 902 3HG2 ILE 128 3HG2 ILE 128 19.320 -16.490 12.315 903 1HD1 ILE 128 1HD1 ILE 128 20.256 -19.358 12.673 904 2HD1 ILE 128 2HD1 ILE 128 21.906 -19.170 12.079 905 3HD1 ILE 128 3HD1 ILE 128 21.594 -20.129 13.526 No H/Q in entry = 905 Start of MODEL 2 1 H2 PRO 1 H2 PRO 1 -18.126 -15.002 11.198 2 H3 PRO 1 H3 PRO 1 -19.549 -15.882 11.508 3 HA PRO 1 HA PRO 1 -19.514 -15.116 13.582 4 1HB PRO 1 1HB PRO 1 -17.261 -16.142 14.748 5 2HB PRO 1 2HB PRO 1 -18.672 -17.134 14.330 6 1HG PRO 1 1HG PRO 1 -16.094 -16.786 12.877 7 2HG PRO 1 2HG PRO 1 -17.055 -18.250 13.129 8 1HD PRO 1 1HD PRO 1 -17.059 -16.836 10.801 9 2HD PRO 1 2HD PRO 1 -18.445 -17.790 11.364 10 H THR 2 H THR 2 -18.004 -13.957 15.324 11 HA THR 2 HA THR 2 -16.387 -11.905 13.850 12 HB THR 2 HB THR 2 -18.028 -11.822 16.401 13 HG1 THR 2 HG1 THR 2 -18.885 -11.684 14.098 14 1HG2 THR 2 1HG2 THR 2 -16.092 -9.866 15.188 15 2HG2 THR 2 2HG2 THR 2 -17.471 -9.286 16.123 16 3HG2 THR 2 3HG2 THR 2 -16.275 -10.341 16.876 17 H VAL 3 H VAL 3 -14.236 -11.772 14.396 18 HA VAL 3 HA VAL 3 -13.356 -12.975 16.997 19 HB VAL 3 HB VAL 3 -12.019 -13.251 14.287 20 1HG1 VAL 3 1HG1 VAL 3 -10.948 -13.493 16.826 21 2HG1 VAL 3 2HG1 VAL 3 -11.394 -15.154 16.431 22 3HG1 VAL 3 3HG1 VAL 3 -10.305 -14.257 15.372 23 1HG2 VAL 3 1HG2 VAL 3 -13.666 -15.244 15.873 24 2HG2 VAL 3 2HG2 VAL 3 -14.166 -14.466 14.372 25 3HG2 VAL 3 3HG2 VAL 3 -12.807 -15.590 14.374 26 H GLU 4 H GLU 4 -12.469 -11.288 18.133 27 HA GLU 4 HA GLU 4 -11.336 -8.948 16.759 28 1HB GLU 4 1HB GLU 4 -12.677 -9.362 19.080 29 2HB GLU 4 2HB GLU 4 -11.021 -9.379 19.684 30 1HG GLU 4 1HG GLU 4 -10.744 -7.156 19.319 31 2HG GLU 4 2HG GLU 4 -11.557 -7.221 17.756 32 H TYR 5 H TYR 5 -9.238 -9.029 16.026 33 HA TYR 5 HA TYR 5 -7.331 -10.951 17.224 34 1HB TYR 5 1HB TYR 5 -5.940 -10.188 15.286 35 2HB TYR 5 2HB TYR 5 -7.532 -10.766 14.798 36 HD1 TYR 5 HD1 TYR 5 -5.820 -7.591 15.850 37 HD2 TYR 5 HD2 TYR 5 -8.819 -9.431 13.388 38 HE1 TYR 5 HE1 TYR 5 -6.295 -5.401 14.788 39 HE2 TYR 5 HE2 TYR 5 -9.296 -7.242 12.329 40 HH TYR 5 HH TYR 5 -8.309 -5.120 11.977 41 H LEU 6 H LEU 6 -5.366 -10.298 18.214 42 HA LEU 6 HA LEU 6 -5.048 -7.375 18.785 43 1HB LEU 6 1HB LEU 6 -5.932 -9.426 20.541 44 2HB LEU 6 2HB LEU 6 -4.290 -9.016 21.034 45 HG LEU 6 HG LEU 6 -6.599 -7.080 20.674 46 1HD1 LEU 6 1HD1 LEU 6 -6.279 -8.644 22.785 47 2HD1 LEU 6 2HD1 LEU 6 -5.022 -7.477 23.195 48 3HD1 LEU 6 3HD1 LEU 6 -6.691 -6.941 22.995 49 1HD2 LEU 6 1HD2 LEU 6 -3.680 -6.633 21.352 50 2HD2 LEU 6 2HD2 LEU 6 -4.558 -5.995 19.961 51 3HD2 LEU 6 3HD2 LEU 6 -4.936 -5.418 21.584 52 H ASN 7 H ASN 7 -2.886 -6.713 18.765 53 HA ASN 7 HA ASN 7 -0.895 -8.524 17.669 54 1HB ASN 7 1HB ASN 7 -1.054 -6.108 17.167 55 2HB ASN 7 2HB ASN 7 -0.713 -5.735 18.853 56 2HD2 ASN 7 2HD2 ASN 7 1.160 -4.579 17.454 57 1HD2 ASN 7 1HD2 ASN 7 2.583 -5.489 17.307 58 H TYR 8 H TYR 8 0.273 -9.957 18.903 59 HA TYR 8 HA TYR 8 0.238 -10.118 21.731 60 1HB TYR 8 1HB TYR 8 0.957 -11.987 20.433 61 2HB TYR 8 2HB TYR 8 2.166 -11.025 19.582 62 HD1 TYR 8 HD1 TYR 8 1.270 -12.502 22.875 63 HD2 TYR 8 HD2 TYR 8 4.344 -10.667 20.502 64 HE1 TYR 8 HE1 TYR 8 2.954 -13.094 24.598 65 HE2 TYR 8 HE2 TYR 8 6.028 -11.259 22.224 66 HH TYR 8 HH TYR 8 5.069 -12.899 25.242 67 H GLU 9 H GLU 9 2.306 -8.277 19.541 68 HA GLU 9 HA GLU 9 4.336 -7.494 21.398 69 1HB GLU 9 1HB GLU 9 3.829 -7.202 18.742 70 2HB GLU 9 2HB GLU 9 3.424 -5.583 19.312 71 1HG GLU 9 1HG GLU 9 5.628 -5.431 20.426 72 2HG GLU 9 2HG GLU 9 6.033 -7.043 19.836 73 H THR 10 H THR 10 1.218 -5.998 20.510 74 HA THR 10 HA THR 10 1.407 -3.630 22.061 75 HB THR 10 HB THR 10 -0.931 -5.422 21.325 76 HG1 THR 10 HG1 THR 10 -1.152 -3.642 19.765 77 1HG2 THR 10 1HG2 THR 10 -0.903 -2.566 22.340 78 2HG2 THR 10 2HG2 THR 10 -2.321 -3.399 21.703 79 3HG2 THR 10 3HG2 THR 10 -1.559 -3.967 23.189 80 H LEU 11 H LEU 11 0.703 -6.952 22.996 81 HA LEU 11 HA LEU 11 -0.405 -6.436 25.598 82 1HB LEU 11 1HB LEU 11 -0.201 -8.578 24.061 83 2HB LEU 11 2HB LEU 11 1.306 -8.821 24.943 84 HG LEU 11 HG LEU 11 -0.380 -10.007 26.165 85 1HD1 LEU 11 1HD1 LEU 11 1.194 -8.471 27.456 86 2HD1 LEU 11 2HD1 LEU 11 -0.150 -7.335 27.567 87 3HD1 LEU 11 3HD1 LEU 11 -0.282 -8.932 28.303 88 1HD2 LEU 11 1HD2 LEU 11 -2.019 -7.708 25.343 89 2HD2 LEU 11 2HD2 LEU 11 -2.505 -9.368 25.691 90 3HD2 LEU 11 3HD2 LEU 11 -2.296 -8.214 27.009 91 H ASP 12 H ASP 12 2.931 -7.181 24.535 92 HA ASP 12 HA ASP 12 4.059 -6.825 27.198 93 1HB ASP 12 1HB ASP 12 5.073 -7.161 24.378 94 2HB ASP 12 2HB ASP 12 6.195 -6.791 25.687 95 H ASP 13 H ASP 13 3.820 -4.833 24.253 96 HA ASP 13 HA ASP 13 5.438 -2.646 25.004 97 1HB ASP 13 1HB ASP 13 3.141 -3.212 23.225 98 2HB ASP 13 2HB ASP 13 3.351 -1.511 23.638 99 H GLN 14 H GLN 14 1.887 -2.938 25.460 100 HA GLN 14 HA GLN 14 1.753 -0.637 27.230 101 1HB GLN 14 1HB GLN 14 -0.049 -1.607 25.714 102 2HB GLN 14 2HB GLN 14 -0.214 -2.918 26.881 103 1HG GLN 14 1HG GLN 14 -1.620 -1.605 28.055 104 2HG GLN 14 2HG GLN 14 -0.257 -0.541 28.398 105 2HE2 GLN 14 2HE2 GLN 14 -2.071 -1.184 25.341 106 1HE2 GLN 14 1HE2 GLN 14 -2.454 0.445 25.054 107 H GLY 15 H GLY 15 2.191 -4.100 27.645 108 1HA GLY 15 1HA GLY 15 3.018 -3.741 30.406 109 2HA GLY 15 2HA GLY 15 2.898 -5.281 29.556 110 H TRP 16 H TRP 16 0.146 -5.076 28.789 111 HA TRP 16 HA TRP 16 -1.336 -4.782 31.353 112 1HB TRP 16 1HB TRP 16 -1.828 -4.399 28.550 113 2HB TRP 16 2HB TRP 16 -2.979 -5.587 29.164 114 HD1 TRP 16 HD1 TRP 16 -5.091 -4.106 29.361 115 HE1 TRP 16 HE1 TRP 16 -5.711 -2.043 30.775 116 HE3 TRP 16 HE3 TRP 16 -0.490 -2.899 31.224 117 HZ2 TRP 16 HZ2 TRP 16 -4.426 -0.132 32.473 118 HZ3 TRP 16 HZ3 TRP 16 -0.218 -0.955 32.736 119 HH2 TRP 16 HH2 TRP 16 -2.178 0.429 33.362 120 H ASP 17 H ASP 17 -3.304 -6.621 31.183 121 HA ASP 17 HA ASP 17 -1.869 -9.170 31.608 122 1HB ASP 17 1HB ASP 17 -4.440 -7.884 32.329 123 2HB ASP 17 2HB ASP 17 -4.501 -9.636 32.135 124 H MET 18 H MET 18 -3.146 -11.192 30.795 125 HA MET 18 HA MET 18 -3.268 -11.082 27.896 126 1HB MET 18 1HB MET 18 -3.412 -13.038 30.102 127 2HB MET 18 2HB MET 18 -4.328 -13.498 28.667 128 1HG MET 18 1HG MET 18 -2.201 -12.855 27.343 129 2HG MET 18 2HG MET 18 -1.376 -12.911 28.901 130 1HE MET 18 1HE MET 18 -0.817 -14.664 30.187 131 2HE MET 18 2HE MET 18 -2.408 -15.308 30.587 132 3HE MET 18 3HE MET 18 -1.153 -16.388 29.984 133 H ASP 19 H ASP 19 -5.720 -11.468 30.477 134 HA ASP 19 HA ASP 19 -7.785 -10.466 28.590 135 1HB ASP 19 1HB ASP 19 -9.161 -12.441 28.913 136 2HB ASP 19 2HB ASP 19 -7.564 -12.964 28.381 137 H ASP 20 H ASP 20 -6.413 -10.087 31.491 138 HA ASP 20 HA ASP 20 -8.765 -10.064 33.236 139 1HB ASP 20 1HB ASP 20 -6.613 -10.518 34.191 140 2HB ASP 20 2HB ASP 20 -5.901 -9.097 33.428 141 H ASP 21 H ASP 21 -6.654 -7.539 31.815 142 HA ASP 21 HA ASP 21 -8.477 -5.389 32.603 143 1HB ASP 21 1HB ASP 21 -5.811 -5.784 31.455 144 2HB ASP 21 2HB ASP 21 -6.670 -4.437 30.708 145 H ASP 22 H ASP 22 -8.850 -7.719 30.351 146 HA ASP 22 HA ASP 22 -10.015 -7.874 28.302 147 1HB ASP 22 1HB ASP 22 -11.214 -5.684 29.948 148 2HB ASP 22 2HB ASP 22 -11.791 -5.869 28.291 149 H LEU 23 H LEU 23 -7.539 -6.787 27.872 150 HA LEU 23 HA LEU 23 -7.162 -4.249 26.840 151 1HB LEU 23 1HB LEU 23 -6.162 -6.980 26.306 152 2HB LEU 23 2HB LEU 23 -5.872 -5.825 25.006 153 HG LEU 23 HG LEU 23 -5.103 -5.464 27.919 154 1HD1 LEU 23 1HD1 LEU 23 -3.757 -6.581 25.579 155 2HD1 LEU 23 2HD1 LEU 23 -2.858 -5.238 26.285 156 3HD1 LEU 23 3HD1 LEU 23 -3.280 -6.635 27.276 157 1HD2 LEU 23 1HD2 LEU 23 -5.652 -3.534 25.915 158 2HD2 LEU 23 2HD2 LEU 23 -4.905 -3.264 27.489 159 3HD2 LEU 23 3HD2 LEU 23 -3.897 -3.602 26.081 160 H PHE 24 H PHE 24 -8.757 -6.979 25.180 161 HA PHE 24 HA PHE 24 -9.148 -5.845 22.631 162 1HB PHE 24 1HB PHE 24 -10.766 -7.700 24.389 163 2HB PHE 24 2HB PHE 24 -11.266 -7.326 22.740 164 HD1 PHE 24 HD1 PHE 24 -9.671 -7.811 20.829 165 HD2 PHE 24 HD2 PHE 24 -9.013 -9.247 24.824 166 HE1 PHE 24 HE1 PHE 24 -8.074 -9.496 19.959 167 HE2 PHE 24 HE2 PHE 24 -7.414 -10.932 23.954 168 HZ PHE 24 HZ PHE 24 -6.945 -11.058 21.522 169 H GLU 25 H GLU 25 -10.657 -5.080 25.685 170 HA GLU 25 HA GLU 25 -12.751 -3.426 24.356 171 1HB GLU 25 1HB GLU 25 -12.825 -5.125 26.463 172 2HB GLU 25 2HB GLU 25 -12.487 -3.618 27.313 173 1HG GLU 25 1HG GLU 25 -14.632 -3.645 25.217 174 2HG GLU 25 2HG GLU 25 -14.983 -4.331 26.802 175 H LYS 26 H LYS 26 -10.102 -3.120 26.744 176 HA LYS 26 HA LYS 26 -10.371 -0.245 27.012 177 1HB LYS 26 1HB LYS 26 -9.345 -1.938 28.622 178 2HB LYS 26 2HB LYS 26 -7.950 -1.988 27.544 179 1HG LYS 26 1HG LYS 26 -7.187 0.016 28.272 180 2HG LYS 26 2HG LYS 26 -8.791 0.744 28.194 181 1HD LYS 26 1HD LYS 26 -8.888 -1.113 30.319 182 2HD LYS 26 2HD LYS 26 -7.362 -0.248 30.503 183 1HE LYS 26 1HE LYS 26 -8.546 1.908 30.407 184 2HE LYS 26 2HE LYS 26 -10.085 1.064 30.153 185 1HZ LYS 26 1HZ LYS 26 -8.363 0.280 32.407 186 2HZ LYS 26 2HZ LYS 26 -9.314 1.679 32.558 187 3HZ LYS 26 3HZ LYS 26 -10.052 0.178 32.260 188 H ALA 27 H ALA 27 -8.608 -2.377 24.843 189 HA ALA 27 HA ALA 27 -6.621 -0.624 23.850 190 1HB ALA 27 1HB ALA 27 -8.285 -2.820 22.586 191 2HB ALA 27 2HB ALA 27 -6.906 -2.078 21.774 192 3HB ALA 27 3HB ALA 27 -6.671 -2.963 23.281 193 H ALA 28 H ALA 28 -10.075 -0.596 23.411 194 HA ALA 28 HA ALA 28 -10.174 0.934 20.960 195 1HB ALA 28 1HB ALA 28 -11.930 -0.189 22.969 196 2HB ALA 28 2HB ALA 28 -12.293 0.217 21.292 197 3HB ALA 28 3HB ALA 28 -12.454 1.442 22.550 198 H ASP 29 H ASP 29 -9.804 1.760 24.355 199 HA ASP 29 HA ASP 29 -10.402 4.594 24.042 200 1HB ASP 29 1HB ASP 29 -9.529 2.675 26.107 201 2HB ASP 29 2HB ASP 29 -8.897 4.305 26.330 202 H ALA 30 H ALA 30 -7.609 2.576 23.547 203 HA ALA 30 HA ALA 30 -5.701 4.830 23.648 204 1HB ALA 30 1HB ALA 30 -4.403 3.064 24.202 205 2HB ALA 30 2HB ALA 30 -4.556 2.487 22.543 206 3HB ALA 30 3HB ALA 30 -5.697 1.945 23.773 207 H GLY 31 H GLY 31 -6.429 2.349 21.184 208 1HA GLY 31 1HA GLY 31 -6.223 4.492 19.108 209 2HA GLY 31 2HA GLY 31 -7.186 3.026 18.921 210 H LEU 32 H LEU 32 -5.616 0.974 19.464 211 HA LEU 32 HA LEU 32 -2.873 1.198 18.555 212 1HB LEU 32 1HB LEU 32 -4.852 -0.957 19.217 213 2HB LEU 32 2HB LEU 32 -3.356 -1.404 18.398 214 HG LEU 32 HG LEU 32 -3.267 -1.470 20.942 215 1HD1 LEU 32 1HD1 LEU 32 -1.382 -0.652 19.041 216 2HD1 LEU 32 2HD1 LEU 32 -1.235 0.527 20.344 217 3HD1 LEU 32 3HD1 LEU 32 -1.042 -1.192 20.685 218 1HD2 LEU 32 1HD2 LEU 32 -4.611 0.578 21.312 219 2HD2 LEU 32 2HD2 LEU 32 -3.030 0.701 22.082 220 3HD2 LEU 32 3HD2 LEU 32 -3.337 1.540 20.562 221 H ASP 33 H ASP 33 -2.074 0.044 16.576 222 HA ASP 33 HA ASP 33 -3.324 0.940 14.183 223 1HB ASP 33 1HB ASP 33 -0.993 -0.461 15.057 224 2HB ASP 33 2HB ASP 33 -1.698 -1.377 13.724 225 H GLY 34 H GLY 34 -4.626 -0.166 12.656 226 1HA GLY 34 1HA GLY 34 -6.272 -1.679 11.947 227 2HA GLY 34 2HA GLY 34 -6.501 -2.071 13.650 228 H GLU 35 H GLU 35 -3.397 -2.448 12.057 229 HA GLU 35 HA GLU 35 -3.714 -5.263 11.409 230 1HB GLU 35 1HB GLU 35 -1.795 -3.110 11.161 231 2HB GLU 35 2HB GLU 35 -0.987 -4.578 11.711 232 1HG GLU 35 1HG GLU 35 -2.092 -5.828 9.848 233 2HG GLU 35 2HG GLU 35 -2.764 -4.304 9.268 234 H ASP 36 H ASP 36 -3.549 -3.739 14.361 235 HA ASP 36 HA ASP 36 -2.122 -6.051 15.646 236 1HB ASP 36 1HB ASP 36 -2.494 -3.153 16.489 237 2HB ASP 36 2HB ASP 36 -1.658 -4.373 17.449 238 H TYR 37 H TYR 37 -4.710 -3.632 16.236 239 HA TYR 37 HA TYR 37 -6.217 -5.763 17.715 240 1HB TYR 37 1HB TYR 37 -5.377 -4.337 19.390 241 2HB TYR 37 2HB TYR 37 -5.547 -2.901 18.383 242 HD1 TYR 37 HD1 TYR 37 -7.781 -5.661 19.628 243 HD2 TYR 37 HD2 TYR 37 -7.231 -1.445 19.025 244 HE1 TYR 37 HE1 TYR 37 -10.016 -5.230 20.614 245 HE2 TYR 37 HE2 TYR 37 -9.466 -1.012 20.010 246 HH TYR 37 HH TYR 37 -11.004 -2.336 21.726 247 H GLY 38 H GLY 38 -8.333 -5.974 17.045 248 1HA GLY 38 1HA GLY 38 -9.271 -4.479 14.751 249 2HA GLY 38 2HA GLY 38 -10.110 -3.986 16.223 250 H THR 39 H THR 39 -11.997 -4.936 14.951 251 HA THR 39 HA THR 39 -12.472 -7.690 15.885 252 HB THR 39 HB THR 39 -14.348 -6.061 14.194 253 HG1 THR 39 HG1 THR 39 -13.790 -5.598 16.935 254 1HG2 THR 39 1HG2 THR 39 -14.946 -8.324 15.089 255 2HG2 THR 39 2HG2 THR 39 -14.755 -7.683 16.721 256 3HG2 THR 39 3HG2 THR 39 -16.013 -7.042 15.663 257 H MET 40 H MET 40 -12.224 -9.468 14.587 258 HA MET 40 HA MET 40 -11.728 -9.044 11.676 259 1HB MET 40 1HB MET 40 -10.376 -10.418 13.607 260 2HB MET 40 2HB MET 40 -11.383 -11.702 12.940 261 1HG MET 40 1HG MET 40 -10.600 -10.925 10.633 262 2HG MET 40 2HG MET 40 -9.393 -9.956 11.477 263 1HE MET 40 1HE MET 40 -10.143 -12.504 9.633 264 2HE MET 40 2HE MET 40 -8.666 -13.480 9.639 265 3HE MET 40 3HE MET 40 -10.097 -14.035 10.505 266 H GLU 41 H GLU 41 -14.090 -8.784 11.249 267 HA GLU 41 HA GLU 41 -15.937 -10.965 11.811 268 1HB GLU 41 1HB GLU 41 -16.403 -8.471 11.466 269 2HB GLU 41 2HB GLU 41 -16.161 -8.764 9.743 270 1HG GLU 41 1HG GLU 41 -18.012 -10.265 9.638 271 2HG GLU 41 2HG GLU 41 -18.111 -10.382 11.395 272 H VAL 42 H VAL 42 -15.568 -12.925 10.786 273 HA VAL 42 HA VAL 42 -15.131 -12.843 7.821 274 HB VAL 42 HB VAL 42 -13.526 -14.676 8.104 275 1HG1 VAL 42 1HG1 VAL 42 -13.034 -12.335 9.970 276 2HG1 VAL 42 2HG1 VAL 42 -11.784 -13.442 9.403 277 3HG1 VAL 42 3HG1 VAL 42 -12.634 -12.409 8.254 278 1HG2 VAL 42 1HG2 VAL 42 -14.734 -14.725 10.777 279 2HG2 VAL 42 2HG2 VAL 42 -13.880 -16.000 9.908 280 3HG2 VAL 42 3HG2 VAL 42 -12.971 -14.792 10.814 281 H ALA 43 H ALA 43 -15.822 -14.900 6.761 282 HA ALA 43 HA ALA 43 -18.410 -15.781 7.700 283 1HB ALA 43 1HB ALA 43 -16.722 -15.928 5.378 284 2HB ALA 43 2HB ALA 43 -18.459 -16.216 5.487 285 3HB ALA 43 3HB ALA 43 -17.328 -17.545 5.744 286 H GLU 44 H GLU 44 -18.985 -17.869 8.499 287 HA GLU 44 HA GLU 44 -17.206 -19.105 10.349 288 1HB GLU 44 1HB GLU 44 -19.869 -19.154 9.766 289 2HB GLU 44 2HB GLU 44 -19.376 -20.730 9.147 290 1HG GLU 44 1HG GLU 44 -18.415 -21.333 11.295 291 2HG GLU 44 2HG GLU 44 -18.709 -19.712 11.924 292 H GLY 45 H GLY 45 -15.400 -20.263 9.823 293 1HA GLY 45 1HA GLY 45 -15.592 -22.230 7.600 294 2HA GLY 45 2HA GLY 45 -14.404 -22.277 8.902 295 H GLU 46 H GLU 46 -14.406 -19.135 8.212 296 HA GLU 46 HA GLU 46 -12.841 -19.183 5.708 297 1HB GLU 46 1HB GLU 46 -14.555 -17.434 6.444 298 2HB GLU 46 2HB GLU 46 -13.360 -16.892 7.622 299 1HG GLU 46 1HG GLU 46 -12.979 -15.501 5.747 300 2HG GLU 46 2HG GLU 46 -11.737 -16.747 5.608 301 H TYR 47 H TYR 47 -10.743 -19.895 5.934 302 HA TYR 47 HA TYR 47 -9.148 -20.137 8.180 303 1HB TYR 47 1HB TYR 47 -8.633 -19.490 5.290 304 2HB TYR 47 2HB TYR 47 -7.274 -19.564 6.411 305 HD1 TYR 47 HD1 TYR 47 -10.195 -21.618 7.144 306 HD2 TYR 47 HD2 TYR 47 -6.404 -21.532 5.124 307 HE1 TYR 47 HE1 TYR 47 -10.214 -24.093 7.002 308 HE2 TYR 47 HE2 TYR 47 -6.424 -24.008 4.984 309 HH TYR 47 HH TYR 47 -7.842 -25.845 5.120 310 H ILE 48 H ILE 48 -8.772 -18.607 9.732 311 HA ILE 48 HA ILE 48 -9.118 -15.886 9.744 312 HB ILE 48 HB ILE 48 -6.942 -17.606 10.958 313 1HG1 ILE 48 1HG1 ILE 48 -9.550 -16.453 11.989 314 2HG1 ILE 48 2HG1 ILE 48 -9.199 -18.153 11.678 315 1HG2 ILE 48 1HG2 ILE 48 -7.652 -14.713 11.524 316 2HG2 ILE 48 2HG2 ILE 48 -6.652 -15.711 12.580 317 3HG2 ILE 48 3HG2 ILE 48 -6.102 -15.329 10.949 318 1HD1 ILE 48 1HD1 ILE 48 -7.169 -17.633 13.348 319 2HD1 ILE 48 2HD1 ILE 48 -8.297 -16.406 13.924 320 3HD1 ILE 48 3HD1 ILE 48 -8.760 -18.109 13.943 321 H LEU 49 H LEU 49 -5.786 -17.117 9.345 322 HA LEU 49 HA LEU 49 -4.518 -14.876 8.377 323 1HB LEU 49 1HB LEU 49 -3.258 -16.846 8.708 324 2HB LEU 49 2HB LEU 49 -4.326 -17.806 7.686 325 HG LEU 49 HG LEU 49 -3.158 -15.578 6.215 326 1HD1 LEU 49 1HD1 LEU 49 -1.422 -17.086 8.017 327 2HD1 LEU 49 2HD1 LEU 49 -0.933 -17.250 6.331 328 3HD1 LEU 49 3HD1 LEU 49 -1.062 -15.649 7.061 329 1HD2 LEU 49 1HD2 LEU 49 -4.189 -18.050 5.671 330 2HD2 LEU 49 2HD2 LEU 49 -3.191 -17.130 4.545 331 3HD2 LEU 49 3HD2 LEU 49 -2.460 -18.376 5.558 332 H GLU 50 H GLU 50 -6.634 -17.040 6.509 333 HA GLU 50 HA GLU 50 -6.184 -15.658 3.978 334 1HB GLU 50 1HB GLU 50 -7.158 -18.090 4.808 335 2HB GLU 50 2HB GLU 50 -8.644 -17.244 4.375 336 1HG GLU 50 1HG GLU 50 -8.088 -17.127 2.148 337 2HG GLU 50 2HG GLU 50 -6.360 -17.002 2.478 338 H ALA 51 H ALA 51 -8.963 -15.856 6.239 339 HA ALA 51 HA ALA 51 -10.654 -13.988 4.972 340 1HB ALA 51 1HB ALA 51 -11.139 -15.530 6.907 341 2HB ALA 51 2HB ALA 51 -10.251 -14.415 7.946 342 3HB ALA 51 3HB ALA 51 -11.734 -13.887 7.148 343 H ALA 52 H ALA 52 -8.035 -13.459 7.297 344 HA ALA 52 HA ALA 52 -8.448 -10.565 7.396 345 1HB ALA 52 1HB ALA 52 -6.194 -10.793 8.639 346 2HB ALA 52 2HB ALA 52 -6.393 -12.533 8.414 347 3HB ALA 52 3HB ALA 52 -7.585 -11.620 9.342 348 H GLU 53 H GLU 53 -6.509 -12.808 5.521 349 HA GLU 53 HA GLU 53 -4.514 -10.996 4.551 350 1HB GLU 53 1HB GLU 53 -5.676 -13.639 3.875 351 2HB GLU 53 2HB GLU 53 -4.866 -12.811 2.545 352 1HG GLU 53 1HG GLU 53 -3.430 -12.773 5.139 353 2HG GLU 53 2HG GLU 53 -3.561 -14.352 4.365 354 H ALA 54 H ALA 54 -7.839 -11.620 3.579 355 HA ALA 54 HA ALA 54 -7.685 -10.176 1.055 356 1HB ALA 54 1HB ALA 54 -9.303 -12.022 1.830 357 2HB ALA 54 2HB ALA 54 -10.020 -10.657 0.972 358 3HB ALA 54 3HB ALA 54 -10.136 -10.754 2.730 359 H GLN 55 H GLN 55 -8.002 -9.232 4.367 360 HA GLN 55 HA GLN 55 -9.286 -6.643 3.700 361 1HB GLN 55 1HB GLN 55 -8.569 -8.214 6.153 362 2HB GLN 55 2HB GLN 55 -8.848 -6.481 6.310 363 1HG GLN 55 1HG GLN 55 -10.773 -8.519 5.151 364 2HG GLN 55 2HG GLN 55 -10.951 -7.663 6.683 365 2HE2 GLN 55 2HE2 GLN 55 -12.903 -7.464 4.557 366 1HE2 GLN 55 1HE2 GLN 55 -12.892 -5.863 3.990 367 H GLY 56 H GLY 56 -6.119 -7.971 4.342 368 1HA GLY 56 1HA GLY 56 -5.008 -5.197 4.206 369 2HA GLY 56 2HA GLY 56 -4.190 -6.615 3.552 370 H TYR 57 H TYR 57 -5.245 -8.043 6.123 371 HA TYR 57 HA TYR 57 -3.746 -6.799 8.295 372 1HB TYR 57 1HB TYR 57 -5.179 -9.417 7.819 373 2HB TYR 57 2HB TYR 57 -4.312 -9.110 9.324 374 HD1 TYR 57 HD1 TYR 57 -4.810 -6.197 9.687 375 HD2 TYR 57 HD2 TYR 57 -7.453 -9.344 8.444 376 HE1 TYR 57 HE1 TYR 57 -6.750 -4.904 10.530 377 HE2 TYR 57 HE2 TYR 57 -9.388 -8.059 9.289 378 HH TYR 57 HH TYR 57 -9.495 -5.011 9.776 379 H ASP 58 H ASP 58 -2.312 -8.790 9.476 380 HA ASP 58 HA ASP 58 -0.458 -9.925 7.441 381 1HB ASP 58 1HB ASP 58 -0.050 -7.482 8.734 382 2HB ASP 58 2HB ASP 58 0.945 -8.620 9.642 383 H TRP 59 H TRP 59 0.194 -11.946 8.082 384 HA TRP 59 HA TRP 59 0.205 -12.602 11.000 385 1HB TRP 59 1HB TRP 59 -0.961 -14.389 8.850 386 2HB TRP 59 2HB TRP 59 -1.129 -14.555 10.598 387 HD1 TRP 59 HD1 TRP 59 -2.096 -12.083 7.793 388 HE1 TRP 59 HE1 TRP 59 -4.307 -10.939 8.457 389 HE3 TRP 59 HE3 TRP 59 -2.783 -14.113 12.427 390 HZ2 TRP 59 HZ2 TRP 59 -6.126 -10.892 10.660 391 HZ3 TRP 59 HZ3 TRP 59 -4.764 -13.502 13.785 392 HH2 TRP 59 HH2 TRP 59 -6.436 -11.895 12.907 393 HA PRO 60 HA PRO 60 4.064 -14.371 9.780 394 1HB PRO 60 1HB PRO 60 4.529 -15.838 12.045 395 2HB PRO 60 2HB PRO 60 4.740 -14.079 11.971 396 1HG PRO 60 1HG PRO 60 2.473 -15.678 13.065 397 2HG PRO 60 2HG PRO 60 3.218 -14.203 13.697 398 1HD PRO 60 1HD PRO 60 0.862 -14.227 12.324 399 2HD PRO 60 2HD PRO 60 1.973 -12.841 12.330 400 H PHE 61 H PHE 61 4.599 -16.262 8.692 401 HA PHE 61 HA PHE 61 3.436 -18.848 9.369 402 1HB PHE 61 1HB PHE 61 2.061 -19.043 7.351 403 2HB PHE 61 2HB PHE 61 1.557 -17.623 8.269 404 HD1 PHE 61 HD1 PHE 61 3.922 -18.623 5.530 405 HD2 PHE 61 HD2 PHE 61 1.405 -15.562 7.186 406 HE1 PHE 61 HE1 PHE 61 4.373 -17.188 3.561 407 HE2 PHE 61 HE2 PHE 61 1.856 -14.126 5.215 408 HZ PHE 61 HZ PHE 61 3.339 -14.939 3.402 409 H SER 62 H SER 62 4.452 -20.541 8.166 410 HA SER 62 HA SER 62 6.515 -19.715 6.172 411 1HB SER 62 1HB SER 62 7.302 -19.926 8.630 412 2HB SER 62 2HB SER 62 7.057 -21.659 8.420 413 HG SER 62 HG SER 62 9.075 -21.434 7.755 414 H CYS 63 H CYS 63 5.316 -22.631 7.878 415 HA CYS 63 HA CYS 63 5.735 -24.341 5.587 416 1HB CYS 63 1HB CYS 63 5.146 -26.002 7.099 417 2HB CYS 63 2HB CYS 63 5.615 -24.715 8.204 418 H ARG 64 H ARG 64 2.866 -22.695 6.919 419 HA ARG 64 HA ARG 64 0.750 -22.279 5.950 420 1HB ARG 64 1HB ARG 64 2.806 -22.243 3.929 421 2HB ARG 64 2HB ARG 64 1.298 -22.833 3.230 422 1HG ARG 64 1HG ARG 64 0.234 -20.829 3.505 423 2HG ARG 64 2HG ARG 64 1.040 -20.498 5.038 424 1HD ARG 64 1HD ARG 64 1.823 -18.900 3.337 425 2HD ARG 64 2HD ARG 64 3.151 -20.002 3.753 426 HE ARG 64 HE ARG 64 1.498 -21.020 1.578 427 1HH1 ARG 64 1HH1 ARG 64 2.632 -18.115 1.110 428 2HH1 ARG 64 2HH1 ARG 64 4.014 -18.507 0.143 429 1HH2 ARG 64 1HH2 ARG 64 3.914 -21.890 0.896 430 2HH2 ARG 64 2HH2 ARG 64 4.740 -20.644 0.022 431 H ALA 65 H ALA 65 1.433 -25.096 6.718 432 HA ALA 65 HA ALA 65 -0.652 -26.463 5.096 433 1HB ALA 65 1HB ALA 65 1.112 -28.472 5.615 434 2HB ALA 65 2HB ALA 65 2.220 -27.106 5.479 435 3HB ALA 65 3HB ALA 65 1.149 -27.510 4.137 436 H GLY 66 H GLY 66 0.296 -25.456 8.112 437 1HA GLY 66 1HA GLY 66 -1.560 -27.289 9.438 438 2HA GLY 66 2HA GLY 66 -0.703 -25.951 10.203 439 H ALA 67 H ALA 67 1.964 -26.758 9.430 440 HA ALA 67 HA ALA 67 2.235 -29.244 11.085 441 1HB ALA 67 1HB ALA 67 2.579 -29.702 8.714 442 2HB ALA 67 2HB ALA 67 4.128 -29.803 9.550 443 3HB ALA 67 3HB ALA 67 3.732 -28.373 8.596 444 H CYS 68 H CYS 68 2.848 -25.998 11.162 445 HA CYS 68 HA CYS 68 5.244 -26.433 12.885 446 1HB CYS 68 1HB CYS 68 6.561 -24.946 11.685 447 2HB CYS 68 2HB CYS 68 5.594 -25.623 10.379 448 H ALA 69 H ALA 69 5.712 -24.019 13.921 449 HA ALA 69 HA ALA 69 3.042 -23.082 14.926 450 1HB ALA 69 1HB ALA 69 5.697 -23.600 16.273 451 2HB ALA 69 2HB ALA 69 4.433 -22.645 17.048 452 3HB ALA 69 3HB ALA 69 4.134 -24.333 16.632 453 H ASN 70 H ASN 70 5.388 -22.069 12.930 454 HA ASN 70 HA ASN 70 6.343 -19.588 13.908 455 1HB ASN 70 1HB ASN 70 5.734 -20.804 11.232 456 2HB ASN 70 2HB ASN 70 6.175 -19.097 11.305 457 2HD2 ASN 70 2HD2 ASN 70 8.374 -18.565 11.821 458 1HD2 ASN 70 1HD2 ASN 70 9.582 -19.741 12.022 459 H CYS 71 H CYS 71 3.261 -20.406 12.318 460 HA CYS 71 HA CYS 71 2.339 -17.599 12.446 461 1HB CYS 71 1HB CYS 71 0.541 -18.417 11.103 462 2HB CYS 71 2HB CYS 71 1.952 -19.330 10.571 463 H ALA 72 H ALA 72 2.778 -19.691 14.798 464 HA ALA 72 HA ALA 72 0.415 -20.363 16.095 465 1HB ALA 72 1HB ALA 72 2.702 -20.892 16.836 466 2HB ALA 72 2HB ALA 72 1.784 -20.158 18.151 467 3HB ALA 72 3HB ALA 72 2.964 -19.200 17.256 468 H SER 73 H SER 73 -0.944 -19.317 17.598 469 HA SER 73 HA SER 73 -0.755 -16.334 17.786 470 1HB SER 73 1HB SER 73 -3.015 -18.125 16.897 471 2HB SER 73 2HB SER 73 -3.348 -16.529 17.571 472 HG SER 73 HG SER 73 -1.570 -17.021 15.421 473 H ILE 74 H ILE 74 -2.952 -15.918 19.402 474 HA ILE 74 HA ILE 74 -2.758 -17.842 21.662 475 HB ILE 74 HB ILE 74 -2.013 -14.909 21.677 476 1HG1 ILE 74 1HG1 ILE 74 -0.242 -16.532 21.087 477 2HG1 ILE 74 2HG1 ILE 74 0.079 -15.785 22.652 478 1HG2 ILE 74 1HG2 ILE 74 -2.948 -16.709 23.876 479 2HG2 ILE 74 2HG2 ILE 74 -1.639 -15.581 24.227 480 3HG2 ILE 74 3HG2 ILE 74 -3.199 -14.976 23.666 481 1HD1 ILE 74 1HD1 ILE 74 -1.175 -17.813 23.657 482 2HD1 ILE 74 2HD1 ILE 74 -0.959 -18.563 22.075 483 3HD1 ILE 74 3HD1 ILE 74 0.448 -18.093 23.031 484 H VAL 75 H VAL 75 -5.024 -18.221 20.949 485 HA VAL 75 HA VAL 75 -7.084 -16.329 20.733 486 HB VAL 75 HB VAL 75 -7.162 -18.807 20.336 487 1HG1 VAL 75 1HG1 VAL 75 -6.026 -19.402 22.492 488 2HG1 VAL 75 2HG1 VAL 75 -7.499 -18.941 23.346 489 3HG1 VAL 75 3HG1 VAL 75 -7.520 -20.299 22.220 490 1HG2 VAL 75 1HG2 VAL 75 -9.189 -17.165 20.860 491 2HG2 VAL 75 2HG2 VAL 75 -9.453 -18.897 20.660 492 3HG2 VAL 75 3HG2 VAL 75 -9.355 -18.202 22.278 493 H LYS 76 H LYS 76 -7.925 -14.874 22.189 494 HA LYS 76 HA LYS 76 -7.098 -15.028 25.022 495 1HB LYS 76 1HB LYS 76 -7.012 -12.917 23.761 496 2HB LYS 76 2HB LYS 76 -8.737 -13.040 23.413 497 1HG LYS 76 1HG LYS 76 -8.192 -13.299 26.265 498 2HG LYS 76 2HG LYS 76 -7.587 -11.772 25.622 499 1HD LYS 76 1HD LYS 76 -9.812 -11.358 24.588 500 2HD LYS 76 2HD LYS 76 -10.406 -12.852 25.312 501 1HE LYS 76 1HE LYS 76 -10.349 -11.976 27.482 502 2HE LYS 76 2HE LYS 76 -9.120 -10.765 27.065 503 1HZ LYS 76 1HZ LYS 76 -10.919 -9.957 25.413 504 2HZ LYS 76 2HZ LYS 76 -12.002 -10.793 26.419 505 3HZ LYS 76 3HZ LYS 76 -11.062 -9.526 27.049 506 H GLU 77 H GLU 77 -9.701 -16.091 23.103 507 HA GLU 77 HA GLU 77 -11.162 -17.303 25.193 508 1HB GLU 77 1HB GLU 77 -11.390 -14.456 25.119 509 2HB GLU 77 2HB GLU 77 -12.947 -15.129 24.637 510 1HG GLU 77 1HG GLU 77 -13.343 -16.024 26.699 511 2HG GLU 77 2HG GLU 77 -11.653 -16.474 26.934 512 H GLY 78 H GLY 78 -12.945 -18.460 24.346 513 1HA GLY 78 1HA GLY 78 -13.637 -17.896 21.492 514 2HA GLY 78 2HA GLY 78 -14.740 -18.651 22.641 515 H GLU 79 H GLU 79 -14.037 -19.840 20.142 516 HA GLU 79 HA GLU 79 -12.131 -22.015 20.861 517 1HB GLU 79 1HB GLU 79 -14.569 -22.465 21.566 518 2HB GLU 79 2HB GLU 79 -14.924 -22.566 19.841 519 1HG GLU 79 1HG GLU 79 -13.880 -24.578 19.619 520 2HG GLU 79 2HG GLU 79 -12.568 -24.124 20.707 521 H ILE 80 H ILE 80 -10.898 -22.503 19.093 522 HA ILE 80 HA ILE 80 -11.876 -21.614 16.404 523 HB ILE 80 HB ILE 80 -9.065 -22.149 17.416 524 1HG1 ILE 80 1HG1 ILE 80 -9.924 -19.386 16.830 525 2HG1 ILE 80 2HG1 ILE 80 -10.694 -20.109 18.242 526 1HG2 ILE 80 1HG2 ILE 80 -10.182 -20.889 14.899 527 2HG2 ILE 80 2HG2 ILE 80 -8.493 -20.744 15.386 528 3HG2 ILE 80 3HG2 ILE 80 -9.172 -22.329 15.016 529 1HD1 ILE 80 1HD1 ILE 80 -7.718 -20.345 17.856 530 2HD1 ILE 80 2HD1 ILE 80 -8.409 -18.878 18.550 531 3HD1 ILE 80 3HD1 ILE 80 -8.650 -20.431 19.350 532 H ASP 81 H ASP 81 -11.890 -23.135 14.723 533 HA ASP 81 HA ASP 81 -11.278 -25.960 15.512 534 1HB ASP 81 1HB ASP 81 -13.427 -24.562 14.077 535 2HB ASP 81 2HB ASP 81 -12.849 -25.999 13.232 536 H MET 82 H MET 82 -10.192 -27.296 13.944 537 HA MET 82 HA MET 82 -9.242 -26.202 11.410 538 1HB MET 82 1HB MET 82 -6.809 -26.327 12.231 539 2HB MET 82 2HB MET 82 -7.763 -24.970 12.828 540 1HG MET 82 1HG MET 82 -8.003 -25.912 14.961 541 2HG MET 82 2HG MET 82 -7.675 -27.545 14.382 542 1HE MET 82 1HE MET 82 -5.946 -28.560 13.967 543 2HE MET 82 2HE MET 82 -4.552 -27.798 13.189 544 3HE MET 82 3HE MET 82 -4.438 -28.357 14.855 545 H ASP 83 H ASP 83 -7.687 -27.811 10.367 546 HA ASP 83 HA ASP 83 -8.688 -30.478 10.524 547 1HB ASP 83 1HB ASP 83 -6.276 -29.111 9.345 548 2HB ASP 83 2HB ASP 83 -6.450 -30.861 9.219 549 H MET 84 H MET 84 -8.066 -32.214 11.787 550 HA MET 84 HA MET 84 -6.533 -31.868 14.165 551 1HB MET 84 1HB MET 84 -7.414 -34.255 12.527 552 2HB MET 84 2HB MET 84 -6.602 -34.431 14.083 553 1HG MET 84 1HG MET 84 -8.742 -32.479 14.256 554 2HG MET 84 2HG MET 84 -9.351 -34.022 13.657 555 1HE MET 84 1HE MET 84 -7.378 -32.132 16.303 556 2HE MET 84 2HE MET 84 -7.000 -33.322 17.544 557 3HE MET 84 3HE MET 84 -6.210 -33.420 15.973 558 H GLN 85 H GLN 85 -4.479 -33.095 14.660 559 HA GLN 85 HA GLN 85 -2.705 -34.039 12.617 560 1HB GLN 85 1HB GLN 85 -3.142 -31.301 12.538 561 2HB GLN 85 2HB GLN 85 -1.640 -31.433 13.454 562 1HG GLN 85 1HG GLN 85 -0.506 -32.475 11.690 563 2HG GLN 85 2HG GLN 85 -1.998 -33.025 10.927 564 2HE2 GLN 85 2HE2 GLN 85 -0.281 -31.710 9.237 565 1HE2 GLN 85 1HE2 GLN 85 -0.825 -30.134 8.917 566 H GLN 86 H GLN 86 -0.333 -32.722 13.878 567 HA GLN 86 HA GLN 86 -0.485 -33.687 16.690 568 1HB GLN 86 1HB GLN 86 1.163 -34.799 14.425 569 2HB GLN 86 2HB GLN 86 1.721 -34.950 16.090 570 1HG GLN 86 1HG GLN 86 -0.468 -36.005 16.680 571 2HG GLN 86 2HG GLN 86 -0.920 -35.944 14.976 572 2HE2 GLN 86 2HE2 GLN 86 0.387 -37.998 17.268 573 1HE2 GLN 86 1HE2 GLN 86 1.263 -39.029 16.243 574 H ILE 87 H ILE 87 -0.154 -31.022 15.470 575 HA ILE 87 HA ILE 87 2.704 -30.352 15.843 576 HB ILE 87 HB ILE 87 1.440 -29.357 14.012 577 1HG1 ILE 87 1HG1 ILE 87 1.744 -26.943 14.556 578 2HG1 ILE 87 2HG1 ILE 87 1.955 -27.377 16.253 579 1HG2 ILE 87 1HG2 ILE 87 -0.508 -28.848 16.213 580 2HG2 ILE 87 2HG2 ILE 87 -0.408 -27.643 14.931 581 3HG2 ILE 87 3HG2 ILE 87 -0.803 -29.315 14.539 582 1HD1 ILE 87 1HD1 ILE 87 3.678 -29.033 14.669 583 2HD1 ILE 87 2HD1 ILE 87 3.927 -27.353 14.196 584 3HD1 ILE 87 3HD1 ILE 87 4.127 -27.834 15.881 585 H LEU 88 H LEU 88 -0.319 -30.197 17.604 586 HA LEU 88 HA LEU 88 1.141 -29.127 19.963 587 1HB LEU 88 1HB LEU 88 -0.471 -27.328 20.235 588 2HB LEU 88 2HB LEU 88 0.179 -27.240 18.598 589 HG LEU 88 HG LEU 88 -2.088 -29.012 18.619 590 1HD1 LEU 88 1HD1 LEU 88 -2.370 -26.419 20.099 591 2HD1 LEU 88 2HD1 LEU 88 -3.702 -26.967 19.082 592 3HD1 LEU 88 3HD1 LEU 88 -3.138 -27.974 20.417 593 1HD2 LEU 88 1HD2 LEU 88 -0.913 -26.971 17.045 594 2HD2 LEU 88 2HD2 LEU 88 -2.262 -28.019 16.604 595 3HD2 LEU 88 3HD2 LEU 88 -2.570 -26.458 17.366 596 H SER 89 H SER 89 -0.480 -29.134 21.911 597 HA SER 89 HA SER 89 -2.190 -31.592 21.698 598 1HB SER 89 1HB SER 89 -0.516 -30.408 23.932 599 2HB SER 89 2HB SER 89 -1.629 -31.754 24.173 600 HG SER 89 HG SER 89 -0.215 -33.022 23.320 601 H ASP 90 H ASP 90 -4.173 -31.564 22.967 602 HA ASP 90 HA ASP 90 -5.804 -29.316 22.779 603 1HB ASP 90 1HB ASP 90 -5.710 -31.836 24.319 604 2HB ASP 90 2HB ASP 90 -6.758 -30.595 25.007 605 H GLU 91 H GLU 91 -3.610 -30.181 25.432 606 HA GLU 91 HA GLU 91 -4.417 -28.183 27.307 607 1HB GLU 91 1HB GLU 91 -1.864 -29.691 26.721 608 2HB GLU 91 2HB GLU 91 -1.963 -28.547 28.060 609 1HG GLU 91 1HG GLU 91 -4.188 -30.502 27.854 610 2HG GLU 91 2HG GLU 91 -2.617 -31.165 28.304 611 H GLU 92 H GLU 92 -2.139 -28.072 24.580 612 HA GLU 92 HA GLU 92 -0.973 -25.524 25.120 613 1HB GLU 92 1HB GLU 92 -0.720 -27.517 23.268 614 2HB GLU 92 2HB GLU 92 -1.520 -26.274 22.306 615 1HG GLU 92 1HG GLU 92 0.225 -24.724 22.635 616 2HG GLU 92 2HG GLU 92 0.855 -25.594 24.034 617 H VAL 93 H VAL 93 -4.027 -26.447 23.590 618 HA VAL 93 HA VAL 93 -4.646 -23.774 22.603 619 HB VAL 93 HB VAL 93 -6.419 -26.179 23.152 620 1HG1 VAL 93 1HG1 VAL 93 -6.723 -23.618 21.614 621 2HG1 VAL 93 2HG1 VAL 93 -7.550 -25.069 21.043 622 3HG1 VAL 93 3HG1 VAL 93 -7.887 -24.438 22.656 623 1HG2 VAL 93 1HG2 VAL 93 -4.409 -25.577 21.045 624 2HG2 VAL 93 2HG2 VAL 93 -4.949 -27.134 21.672 625 3HG2 VAL 93 3HG2 VAL 93 -5.938 -26.265 20.498 626 H GLU 94 H GLU 94 -5.450 -25.675 25.495 627 HA GLU 94 HA GLU 94 -7.233 -23.583 26.554 628 1HB GLU 94 1HB GLU 94 -6.403 -26.360 27.138 629 2HB GLU 94 2HB GLU 94 -6.759 -25.389 28.566 630 1HG GLU 94 1HG GLU 94 -8.980 -25.346 28.117 631 2HG GLU 94 2HG GLU 94 -8.713 -25.034 26.402 632 H GLU 95 H GLU 95 -3.916 -24.716 27.005 633 HA GLU 95 HA GLU 95 -3.511 -22.815 29.261 634 1HB GLU 95 1HB GLU 95 -2.710 -25.071 29.565 635 2HB GLU 95 2HB GLU 95 -1.888 -25.045 28.004 636 1HG GLU 95 1HG GLU 95 -0.199 -24.669 29.666 637 2HG GLU 95 2HG GLU 95 -0.502 -23.108 28.902 638 H LYS 96 H LYS 96 -2.219 -23.547 26.008 639 HA LYS 96 HA LYS 96 -0.593 -21.060 26.083 640 1HB LYS 96 1HB LYS 96 -0.464 -23.674 24.892 641 2HB LYS 96 2HB LYS 96 -0.406 -22.462 23.612 642 1HG LYS 96 1HG LYS 96 1.739 -22.027 24.135 643 2HG LYS 96 2HG LYS 96 1.238 -21.533 25.752 644 1HD LYS 96 1HD LYS 96 2.140 -23.397 26.637 645 2HD LYS 96 2HD LYS 96 1.169 -24.408 25.566 646 1HE LYS 96 1HE LYS 96 3.548 -24.853 25.150 647 2HE LYS 96 2HE LYS 96 2.875 -23.998 23.749 648 1HZ LYS 96 1HZ LYS 96 3.512 -21.947 25.310 649 2HZ LYS 96 2HZ LYS 96 4.709 -23.042 25.808 650 3HZ LYS 96 3HZ LYS 96 4.592 -22.597 24.174 651 H ASP 97 H ASP 97 -3.696 -22.017 25.082 652 HA ASP 97 HA ASP 97 -5.262 -21.049 23.577 653 1HB ASP 97 1HB ASP 97 -3.591 -18.940 24.853 654 2HB ASP 97 2HB ASP 97 -4.584 -18.422 23.489 655 H VAL 98 H VAL 98 -2.565 -22.024 22.484 656 HA VAL 98 HA VAL 98 -2.197 -20.184 20.178 657 HB VAL 98 HB VAL 98 -0.323 -21.141 21.609 658 1HG1 VAL 98 1HG1 VAL 98 -1.228 -23.659 20.184 659 2HG1 VAL 98 2HG1 VAL 98 0.337 -23.496 20.982 660 3HG1 VAL 98 3HG1 VAL 98 -1.150 -23.392 21.926 661 1HG2 VAL 98 1HG2 VAL 98 -0.229 -20.353 19.109 662 2HG2 VAL 98 2HG2 VAL 98 1.144 -21.231 19.783 663 3HG2 VAL 98 3HG2 VAL 98 -0.025 -22.070 18.762 664 H ARG 99 H ARG 99 -2.595 -20.831 18.050 665 HA ARG 99 HA ARG 99 -3.574 -23.590 17.525 666 1HB ARG 99 1HB ARG 99 -5.106 -20.998 17.213 667 2HB ARG 99 2HB ARG 99 -5.556 -22.455 16.330 668 1HG ARG 99 1HG ARG 99 -5.194 -22.459 19.329 669 2HG ARG 99 2HG ARG 99 -6.738 -22.057 18.580 670 1HD ARG 99 1HD ARG 99 -5.897 -24.400 17.267 671 2HD ARG 99 2HD ARG 99 -5.544 -24.676 18.983 672 HE ARG 99 HE ARG 99 -8.117 -23.418 18.706 673 1HH1 ARG 99 1HH1 ARG 99 -6.898 -26.195 17.235 674 2HH1 ARG 99 2HH1 ARG 99 -8.094 -27.268 17.882 675 1HH2 ARG 99 1HH2 ARG 99 -9.481 -24.883 19.983 676 2HH2 ARG 99 2HH2 ARG 99 -9.556 -26.526 19.438 677 H LEU 100 H LEU 100 -4.493 -23.057 14.901 678 HA LEU 100 HA LEU 100 -1.961 -22.125 13.587 679 1HB LEU 100 1HB LEU 100 -4.024 -24.241 12.941 680 2HB LEU 100 2HB LEU 100 -2.873 -23.672 11.731 681 HG LEU 100 HG LEU 100 -1.911 -25.624 12.769 682 1HD1 LEU 100 1HD1 LEU 100 -0.615 -23.257 12.598 683 2HD1 LEU 100 2HD1 LEU 100 -0.455 -23.553 14.329 684 3HD1 LEU 100 3HD1 LEU 100 0.163 -24.732 13.172 685 1HD2 LEU 100 1HD2 LEU 100 -3.425 -25.100 14.911 686 2HD2 LEU 100 2HD2 LEU 100 -1.974 -26.094 15.027 687 3HD2 LEU 100 3HD2 LEU 100 -1.916 -24.394 15.491 688 H THR 101 H THR 101 -2.264 -20.127 12.694 689 HA THR 101 HA THR 101 -4.935 -19.136 11.993 690 HB THR 101 HB THR 101 -3.527 -17.132 11.322 691 HG1 THR 101 HG1 THR 101 -1.334 -17.270 11.776 692 1HG2 THR 101 1HG2 THR 101 -4.342 -17.882 13.744 693 2HG2 THR 101 2HG2 THR 101 -2.605 -17.998 14.029 694 3HG2 THR 101 3HG2 THR 101 -3.314 -16.465 13.522 695 H CYS 102 H CYS 102 -2.211 -20.585 10.330 696 HA CYS 102 HA CYS 102 -2.983 -19.697 7.660 697 1HB CYS 102 1HB CYS 102 -1.208 -21.306 7.010 698 2HB CYS 102 2HB CYS 102 -0.675 -20.262 8.328 699 H ILE 103 H ILE 103 -3.727 -22.447 9.729 700 HA ILE 103 HA ILE 103 -5.558 -23.478 7.589 701 HB ILE 103 HB ILE 103 -4.838 -25.749 8.224 702 1HG1 ILE 103 1HG1 ILE 103 -2.516 -24.864 9.788 703 2HG1 ILE 103 2HG1 ILE 103 -4.056 -24.547 10.586 704 1HG2 ILE 103 1HG2 ILE 103 -2.608 -23.803 7.574 705 2HG2 ILE 103 2HG2 ILE 103 -2.435 -25.554 7.468 706 3HG2 ILE 103 3HG2 ILE 103 -3.590 -24.718 6.430 707 1HD1 ILE 103 1HD1 ILE 103 -3.564 -27.227 9.317 708 2HD1 ILE 103 2HD1 ILE 103 -2.895 -26.881 10.912 709 3HD1 ILE 103 3HD1 ILE 103 -4.638 -26.810 10.652 710 H GLY 104 H GLY 104 -6.117 -21.795 9.977 711 1HA GLY 104 1HA GLY 104 -7.027 -22.457 12.283 712 2HA GLY 104 2HA GLY 104 -7.897 -23.720 11.415 713 H SER 105 H SER 105 -9.945 -22.871 12.042 714 HA SER 105 HA SER 105 -10.641 -20.176 10.937 715 1HB SER 105 1HB SER 105 -12.869 -21.577 10.384 716 2HB SER 105 2HB SER 105 -11.513 -21.511 9.258 717 HG SER 105 HG SER 105 -12.344 -23.658 9.819 718 HA PRO 106 HA PRO 106 -12.612 -19.721 14.844 719 1HB PRO 106 1HB PRO 106 -14.441 -17.788 14.208 720 2HB PRO 106 2HB PRO 106 -12.708 -17.460 14.386 721 1HG PRO 106 1HG PRO 106 -14.329 -17.833 11.914 722 2HG PRO 106 2HG PRO 106 -13.001 -16.709 12.231 723 1HD PRO 106 1HD PRO 106 -12.727 -19.034 10.814 724 2HD PRO 106 2HD PRO 106 -11.402 -18.262 11.709 725 H ALA 107 H ALA 107 -14.164 -21.008 15.777 726 HA ALA 107 HA ALA 107 -16.468 -21.893 14.080 727 1HB ALA 107 1HB ALA 107 -15.653 -23.169 16.670 728 2HB ALA 107 2HB ALA 107 -16.306 -23.922 15.216 729 3HB ALA 107 3HB ALA 107 -14.624 -23.398 15.257 730 H ALA 108 H ALA 108 -15.583 -20.277 17.063 731 HA ALA 108 HA ALA 108 -18.347 -20.329 18.111 732 1HB ALA 108 1HB ALA 108 -15.610 -19.581 19.000 733 2HB ALA 108 2HB ALA 108 -16.937 -18.686 19.742 734 3HB ALA 108 3HB ALA 108 -16.876 -20.444 19.873 735 H ASP 109 H ASP 109 -19.741 -18.558 18.042 736 HA ASP 109 HA ASP 109 -19.610 -16.610 16.036 737 1HB ASP 109 1HB ASP 109 -21.372 -17.389 17.945 738 2HB ASP 109 2HB ASP 109 -20.860 -15.843 18.622 739 H GLU 110 H GLU 110 -19.149 -15.797 19.497 740 HA GLU 110 HA GLU 110 -17.426 -13.515 18.680 741 1HB GLU 110 1HB GLU 110 -17.876 -12.746 20.945 742 2HB GLU 110 2HB GLU 110 -19.393 -13.305 20.243 743 1HG GLU 110 1HG GLU 110 -18.702 -15.611 21.312 744 2HG GLU 110 2HG GLU 110 -17.686 -14.606 22.345 745 H VAL 111 H VAL 111 -15.231 -13.823 18.718 746 HA VAL 111 HA VAL 111 -14.060 -15.542 20.855 747 HB VAL 111 HB VAL 111 -13.831 -15.857 17.857 748 1HG1 VAL 111 1HG1 VAL 111 -11.870 -16.518 20.007 749 2HG1 VAL 111 2HG1 VAL 111 -12.122 -17.723 18.744 750 3HG1 VAL 111 3HG1 VAL 111 -11.585 -16.099 18.319 751 1HG2 VAL 111 1HG2 VAL 111 -14.870 -17.422 20.168 752 2HG2 VAL 111 2HG2 VAL 111 -15.468 -17.331 18.511 753 3HG2 VAL 111 3HG2 VAL 111 -14.069 -18.335 18.889 754 H LYS 112 H LYS 112 -11.944 -14.904 21.430 755 HA LYS 112 HA LYS 112 -10.885 -12.471 20.026 756 1HB LYS 112 1HB LYS 112 -10.887 -13.264 22.957 757 2HB LYS 112 2HB LYS 112 -10.074 -11.836 22.314 758 1HG LYS 112 1HG LYS 112 -12.027 -10.736 22.592 759 2HG LYS 112 2HG LYS 112 -12.657 -11.697 21.253 760 1HD LYS 112 1HD LYS 112 -12.741 -13.371 23.531 761 2HD LYS 112 2HD LYS 112 -13.368 -11.807 24.049 762 1HE LYS 112 1HE LYS 112 -15.185 -11.908 22.605 763 2HE LYS 112 2HE LYS 112 -14.320 -12.909 21.424 764 1HZ LYS 112 1HZ LYS 112 -14.534 -14.134 24.020 765 2HZ LYS 112 2HZ LYS 112 -16.051 -13.837 23.317 766 3HZ LYS 112 3HZ LYS 112 -14.902 -14.775 22.490 767 H ILE 113 H ILE 113 -8.648 -12.460 19.625 768 HA ILE 113 HA ILE 113 -6.881 -14.512 20.762 769 HB ILE 113 HB ILE 113 -8.025 -15.775 19.037 770 1HG1 ILE 113 1HG1 ILE 113 -5.427 -14.911 17.765 771 2HG1 ILE 113 2HG1 ILE 113 -5.452 -15.850 19.258 772 1HG2 ILE 113 1HG2 ILE 113 -7.395 -13.350 17.345 773 2HG2 ILE 113 2HG2 ILE 113 -7.822 -14.905 16.631 774 3HG2 ILE 113 3HG2 ILE 113 -8.973 -14.066 17.671 775 1HD1 ILE 113 1HD1 ILE 113 -7.214 -16.875 17.118 776 2HD1 ILE 113 2HD1 ILE 113 -5.490 -16.955 16.758 777 3HD1 ILE 113 3HD1 ILE 113 -6.128 -17.750 18.197 778 H VAL 114 H VAL 114 -4.645 -14.095 20.247 779 HA VAL 114 HA VAL 114 -4.176 -11.314 19.256 780 HB VAL 114 HB VAL 114 -2.503 -13.206 20.944 781 1HG1 VAL 114 1HG1 VAL 114 -1.391 -11.328 19.498 782 2HG1 VAL 114 2HG1 VAL 114 -2.095 -10.236 20.690 783 3HG1 VAL 114 3HG1 VAL 114 -0.946 -11.472 21.197 784 1HG2 VAL 114 1HG2 VAL 114 -4.705 -11.397 21.548 785 2HG2 VAL 114 2HG2 VAL 114 -3.912 -12.577 22.592 786 3HG2 VAL 114 3HG2 VAL 114 -3.242 -10.954 22.428 787 H TYR 115 H TYR 115 -3.159 -11.099 17.295 788 HA TYR 115 HA TYR 115 -2.129 -13.521 15.955 789 1HB TYR 115 1HB TYR 115 -2.610 -12.352 14.030 790 2HB TYR 115 2HB TYR 115 -3.635 -11.441 15.132 791 HD1 TYR 115 HD1 TYR 115 -2.141 -9.552 16.515 792 HD2 TYR 115 HD2 TYR 115 -1.372 -11.062 12.565 793 HE1 TYR 115 HE1 TYR 115 -0.868 -7.500 15.978 794 HE2 TYR 115 HE2 TYR 115 -0.097 -9.002 12.031 795 HH TYR 115 HH TYR 115 -0.051 -6.605 12.861 796 H ASN 116 H ASN 116 0.031 -13.591 15.040 797 HA ASN 116 HA ASN 116 2.356 -13.117 14.958 798 1HB ASN 116 1HB ASN 116 1.085 -10.658 15.347 799 2HB ASN 116 2HB ASN 116 2.285 -10.726 16.636 800 2HD2 ASN 116 2HD2 ASN 116 2.279 -9.089 14.075 801 1HD2 ASN 116 1HD2 ASN 116 3.739 -9.485 13.304 802 H ALA 117 H ALA 117 1.614 -14.979 16.768 803 HA ALA 117 HA ALA 117 2.434 -14.220 19.494 804 1HB ALA 117 1HB ALA 117 1.871 -16.555 19.965 805 2HB ALA 117 2HB ALA 117 0.620 -15.851 18.942 806 3HB ALA 117 3HB ALA 117 1.835 -16.920 18.241 807 H LYS 118 H LYS 118 3.924 -15.549 16.634 808 HA LYS 118 HA LYS 118 6.061 -17.054 17.673 809 1HB LYS 118 1HB LYS 118 7.207 -16.346 15.582 810 2HB LYS 118 2HB LYS 118 5.520 -16.764 15.286 811 1HG LYS 118 1HG LYS 118 5.115 -14.695 14.500 812 2HG LYS 118 2HG LYS 118 5.691 -13.984 16.008 813 1HD LYS 118 1HD LYS 118 7.077 -13.128 14.221 814 2HD LYS 118 2HD LYS 118 8.047 -14.277 15.146 815 1HE LYS 118 1HE LYS 118 8.270 -15.654 13.348 816 2HE LYS 118 2HE LYS 118 6.536 -15.567 12.983 817 H HIS 119 H HIS 119 5.437 -13.652 17.956 818 HA HIS 119 HA HIS 119 8.101 -12.680 18.373 819 1HB HIS 119 1HB HIS 119 5.332 -11.835 19.256 820 2HB HIS 119 2HB HIS 119 6.764 -10.876 19.632 821 HD1 HIS 119 HD1 HIS 119 8.369 -10.822 17.163 822 HD2 HIS 119 HD2 HIS 119 4.202 -10.737 16.990 823 HE1 HIS 119 HE1 HIS 119 7.765 -9.840 14.909 824 H LEU 120 H LEU 120 5.804 -14.342 20.473 825 HA LEU 120 HA LEU 120 6.708 -13.770 23.041 826 1HB LEU 120 1HB LEU 120 5.078 -15.613 21.806 827 2HB LEU 120 2HB LEU 120 6.350 -16.642 22.463 828 HG LEU 120 HG LEU 120 4.817 -14.565 24.059 829 1HD1 LEU 120 1HD1 LEU 120 4.423 -17.504 23.593 830 2HD1 LEU 120 2HD1 LEU 120 4.031 -16.829 25.175 831 3HD1 LEU 120 3HD1 LEU 120 3.217 -16.225 23.732 832 1HD2 LEU 120 1HD2 LEU 120 7.152 -15.087 24.813 833 2HD2 LEU 120 2HD2 LEU 120 5.922 -15.564 25.983 834 3HD2 LEU 120 3HD2 LEU 120 6.684 -16.780 24.958 835 H ASP 121 H ASP 121 8.705 -13.892 23.981 836 HA ASP 121 HA ASP 121 11.035 -14.893 22.673 837 1HB ASP 121 1HB ASP 121 10.223 -13.991 25.406 838 2HB ASP 121 2HB ASP 121 11.772 -14.821 25.249 839 H TYR 122 H TYR 122 8.723 -16.438 24.854 840 HA TYR 122 HA TYR 122 10.263 -18.737 25.569 841 1HB TYR 122 1HB TYR 122 7.830 -17.686 26.176 842 2HB TYR 122 2HB TYR 122 7.340 -19.015 25.126 843 HD1 TYR 122 HD1 TYR 122 9.783 -18.357 27.906 844 HD2 TYR 122 HD2 TYR 122 6.986 -21.087 26.124 845 HE1 TYR 122 HE1 TYR 122 10.174 -19.964 29.754 846 HE2 TYR 122 HE2 TYR 122 7.377 -22.694 27.972 847 HH TYR 122 HH TYR 122 8.190 -22.445 30.482 848 H LEU 123 H LEU 123 8.819 -17.808 22.567 849 HA LEU 123 HA LEU 123 8.952 -20.613 21.540 850 1HB LEU 123 1HB LEU 123 7.454 -18.107 20.891 851 2HB LEU 123 2HB LEU 123 7.770 -19.235 19.573 852 HG LEU 123 HG LEU 123 6.704 -20.298 22.169 853 1HD1 LEU 123 1HD1 LEU 123 5.391 -18.213 21.046 854 2HD1 LEU 123 2HD1 LEU 123 4.721 -19.536 20.092 855 3HD1 LEU 123 3HD1 LEU 123 4.563 -19.548 21.848 856 1HD2 LEU 123 1HD2 LEU 123 7.028 -21.147 19.371 857 2HD2 LEU 123 2HD2 LEU 123 6.899 -22.124 20.833 858 3HD2 LEU 123 3HD2 LEU 123 5.441 -21.522 20.044 859 H GLN 124 H GLN 124 10.317 -17.389 21.173 860 HA GLN 124 HA GLN 124 11.618 -17.708 18.653 861 1HB GLN 124 1HB GLN 124 11.266 -15.713 20.401 862 2HB GLN 124 2HB GLN 124 12.891 -16.190 20.895 863 1HG GLN 124 1HG GLN 124 13.820 -15.325 19.020 864 2HG GLN 124 2HG GLN 124 12.587 -16.047 17.985 865 2HE2 GLN 124 2HE2 GLN 124 13.553 -13.321 17.664 866 1HE2 GLN 124 1HE2 GLN 124 12.249 -12.278 17.974 867 H ASN 125 H ASN 125 12.380 -18.936 21.841 868 HA ASN 125 HA ASN 125 15.170 -19.462 21.508 869 1HB ASN 125 1HB ASN 125 13.899 -19.508 23.634 870 2HB ASN 125 2HB ASN 125 13.032 -20.940 23.077 871 2HD2 ASN 125 2HD2 ASN 125 13.927 -22.853 23.844 872 1HD2 ASN 125 1HD2 ASN 125 15.564 -23.085 24.225 873 H ARG 126 H ARG 126 12.364 -20.999 20.147 874 HA ARG 126 HA ARG 126 13.850 -23.480 19.478 875 1HB ARG 126 1HB ARG 126 11.015 -22.565 18.893 876 2HB ARG 126 2HB ARG 126 11.636 -24.202 18.678 877 1HG ARG 126 1HG ARG 126 12.192 -23.199 21.353 878 2HG ARG 126 2HG ARG 126 10.465 -23.160 20.999 879 1HD ARG 126 1HD ARG 126 11.604 -25.634 20.013 880 2HD ARG 126 2HD ARG 126 11.984 -25.427 21.734 881 HE ARG 126 HE ARG 126 9.522 -24.994 22.078 882 1HH1 ARG 126 1HH1 ARG 126 9.586 -25.113 18.837 883 2HH1 ARG 126 2HH1 ARG 126 8.540 -26.479 18.635 884 1HH2 ARG 126 1HH2 ARG 126 8.618 -27.371 21.984 885 2HH2 ARG 126 2HH2 ARG 126 7.993 -27.758 20.416 886 H VAL 127 H VAL 127 14.356 -20.669 18.282 887 HA VAL 127 HA VAL 127 13.525 -20.806 15.503 888 HB VAL 127 HB VAL 127 14.087 -18.743 16.805 889 1HG1 VAL 127 1HG1 VAL 127 16.851 -19.971 16.685 890 2HG1 VAL 127 2HG1 VAL 127 16.578 -18.262 17.022 891 3HG1 VAL 127 3HG1 VAL 127 15.948 -19.490 18.120 892 1HG2 VAL 127 1HG2 VAL 127 14.811 -19.404 14.142 893 2HG2 VAL 127 2HG2 VAL 127 14.470 -17.802 14.796 894 3HG2 VAL 127 3HG2 VAL 127 16.122 -18.422 14.796 895 H ILE 128 H ILE 128 14.723 -21.564 13.728 896 HA ILE 128 HA ILE 128 16.287 -22.942 12.612 897 HB ILE 128 HB ILE 128 18.176 -21.850 14.711 898 1HG1 ILE 128 1HG1 ILE 128 16.743 -20.012 13.928 899 2HG1 ILE 128 2HG1 ILE 128 18.370 -19.841 13.269 900 1HG2 ILE 128 1HG2 ILE 128 18.385 -22.851 11.884 901 2HG2 ILE 128 2HG2 ILE 128 19.563 -21.685 12.488 902 3HG2 ILE 128 3HG2 ILE 128 19.385 -23.251 13.280 903 1HD1 ILE 128 1HD1 ILE 128 16.810 -21.488 11.502 904 2HD1 ILE 128 2HD1 ILE 128 15.923 -20.001 11.833 905 3HD1 ILE 128 3HD1 ILE 128 17.556 -19.924 11.172 No H/Q in entry = 905 Start of MODEL 3 1 H2 PRO 1 H2 PRO 1 -20.405 -14.173 13.228 2 H3 PRO 1 H3 PRO 1 -20.805 -15.801 13.518 3 HA PRO 1 HA PRO 1 -18.644 -16.266 13.582 4 1HB PRO 1 1HB PRO 1 -17.682 -15.786 11.065 5 2HB PRO 1 2HB PRO 1 -18.765 -17.138 11.443 6 1HG PRO 1 1HG PRO 1 -19.383 -14.497 10.210 7 2HG PRO 1 2HG PRO 1 -20.024 -16.100 9.821 8 1HD PRO 1 1HD PRO 1 -21.376 -14.250 11.302 9 2HD PRO 1 2HD PRO 1 -21.609 -16.003 11.471 10 H THR 2 H THR 2 -18.570 -14.112 14.966 11 HA THR 2 HA THR 2 -16.776 -12.118 13.626 12 HB THR 2 HB THR 2 -18.697 -11.964 15.967 13 HG1 THR 2 HG1 THR 2 -19.658 -10.414 14.531 14 1HG2 THR 2 1HG2 THR 2 -16.342 -10.501 15.654 15 2HG2 THR 2 2HG2 THR 2 -17.599 -9.440 15.018 16 3HG2 THR 2 3HG2 THR 2 -17.717 -10.058 16.664 17 H VAL 3 H VAL 3 -14.793 -11.649 14.602 18 HA VAL 3 HA VAL 3 -14.160 -12.946 17.218 19 HB VAL 3 HB VAL 3 -12.524 -13.142 14.665 20 1HG1 VAL 3 1HG1 VAL 3 -12.171 -14.270 17.454 21 2HG1 VAL 3 2HG1 VAL 3 -11.276 -14.860 16.053 22 3HG1 VAL 3 3HG1 VAL 3 -11.077 -13.192 16.588 23 1HG2 VAL 3 1HG2 VAL 3 -14.638 -14.837 15.870 24 2HG2 VAL 3 2HG2 VAL 3 -14.114 -14.714 14.190 25 3HG2 VAL 3 3HG2 VAL 3 -13.193 -15.692 15.332 26 H GLU 4 H GLU 4 -11.857 -12.131 17.911 27 HA GLU 4 HA GLU 4 -11.413 -9.323 16.970 28 1HB GLU 4 1HB GLU 4 -12.785 -9.839 19.191 29 2HB GLU 4 2HB GLU 4 -11.170 -10.060 19.865 30 1HG GLU 4 1HG GLU 4 -10.525 -7.830 19.288 31 2HG GLU 4 2HG GLU 4 -11.948 -7.609 18.270 32 H TYR 5 H TYR 5 -9.307 -9.197 16.298 33 HA TYR 5 HA TYR 5 -7.322 -11.113 17.424 34 1HB TYR 5 1HB TYR 5 -5.968 -10.167 15.452 35 2HB TYR 5 2HB TYR 5 -7.402 -11.106 15.048 36 HD1 TYR 5 HD1 TYR 5 -6.241 -7.594 15.625 37 HD2 TYR 5 HD2 TYR 5 -9.097 -10.173 13.722 38 HE1 TYR 5 HE1 TYR 5 -7.171 -5.654 14.389 39 HE2 TYR 5 HE2 TYR 5 -10.030 -8.235 12.489 40 HH TYR 5 HH TYR 5 -9.786 -6.075 12.010 41 H LEU 6 H LEU 6 -5.377 -10.385 18.374 42 HA LEU 6 HA LEU 6 -5.099 -7.444 18.855 43 1HB LEU 6 1HB LEU 6 -6.109 -9.302 20.668 44 2HB LEU 6 2HB LEU 6 -4.416 -9.152 21.137 45 HG LEU 6 HG LEU 6 -6.411 -6.888 20.825 46 1HD1 LEU 6 1HD1 LEU 6 -6.252 -8.511 22.925 47 2HD1 LEU 6 2HD1 LEU 6 -4.859 -7.501 23.312 48 3HD1 LEU 6 3HD1 LEU 6 -6.456 -6.773 23.142 49 1HD2 LEU 6 1HD2 LEU 6 -3.439 -6.969 20.988 50 2HD2 LEU 6 2HD2 LEU 6 -4.492 -5.777 20.225 51 3HD2 LEU 6 3HD2 LEU 6 -4.249 -5.752 21.973 52 H ASN 7 H ASN 7 -2.909 -6.780 19.044 53 HA ASN 7 HA ASN 7 -0.905 -8.579 17.926 54 1HB ASN 7 1HB ASN 7 -1.128 -6.091 17.559 55 2HB ASN 7 2HB ASN 7 -0.591 -5.854 19.222 56 2HD2 ASN 7 2HD2 ASN 7 1.299 -4.699 18.089 57 1HD2 ASN 7 1HD2 ASN 7 2.602 -5.650 17.559 58 H TYR 8 H TYR 8 -0.024 -10.156 19.218 59 HA TYR 8 HA TYR 8 -0.028 -10.238 22.050 60 1HB TYR 8 1HB TYR 8 0.354 -12.189 20.668 61 2HB TYR 8 2HB TYR 8 1.785 -11.455 19.945 62 HD1 TYR 8 HD1 TYR 8 3.852 -11.146 21.276 63 HD2 TYR 8 HD2 TYR 8 0.424 -13.187 22.868 64 HE1 TYR 8 HE1 TYR 8 5.255 -12.082 23.092 65 HE2 TYR 8 HE2 TYR 8 1.827 -14.125 24.686 66 HH TYR 8 HH TYR 8 4.044 -13.397 25.856 67 H GLU 9 H GLU 9 2.169 -8.663 19.803 68 HA GLU 9 HA GLU 9 4.354 -8.229 21.635 69 1HB GLU 9 1HB GLU 9 3.732 -7.808 18.942 70 2HB GLU 9 2HB GLU 9 3.952 -6.182 19.591 71 1HG GLU 9 1HG GLU 9 6.071 -7.317 20.742 72 2HG GLU 9 2HG GLU 9 5.921 -8.423 19.377 73 H THR 10 H THR 10 1.479 -6.302 20.758 74 HA THR 10 HA THR 10 2.147 -3.963 22.275 75 HB THR 10 HB THR 10 -0.600 -5.109 21.693 76 HG1 THR 10 HG1 THR 10 -0.357 -3.989 19.699 77 1HG2 THR 10 1HG2 THR 10 0.407 -2.609 22.741 78 2HG2 THR 10 2HG2 THR 10 -0.457 -2.336 21.228 79 3HG2 THR 10 3HG2 THR 10 -1.264 -3.148 22.571 80 H LEU 11 H LEU 11 0.415 -6.955 23.116 81 HA LEU 11 HA LEU 11 -0.396 -6.138 25.758 82 1HB LEU 11 1HB LEU 11 -1.419 -7.992 24.545 83 2HB LEU 11 2HB LEU 11 0.128 -8.834 24.464 84 HG LEU 11 HG LEU 11 0.156 -9.200 26.831 85 1HD1 LEU 11 1HD1 LEU 11 -1.915 -7.046 26.796 86 2HD1 LEU 11 2HD1 LEU 11 -2.024 -8.266 28.065 87 3HD1 LEU 11 3HD1 LEU 11 -0.566 -7.286 27.905 88 1HD2 LEU 11 1HD2 LEU 11 -1.650 -10.386 25.244 89 2HD2 LEU 11 2HD2 LEU 11 -1.558 -10.737 26.969 90 3HD2 LEU 11 3HD2 LEU 11 -2.764 -9.604 26.363 91 H ASP 12 H ASP 12 2.523 -7.668 24.453 92 HA ASP 12 HA ASP 12 3.693 -8.191 27.084 93 1HB ASP 12 1HB ASP 12 4.213 -8.682 24.255 94 2HB ASP 12 2HB ASP 12 5.684 -8.219 25.113 95 H ASP 13 H ASP 13 4.431 -5.918 24.409 96 HA ASP 13 HA ASP 13 6.482 -4.431 25.628 97 1HB ASP 13 1HB ASP 13 4.585 -4.216 23.445 98 2HB ASP 13 2HB ASP 13 4.847 -2.638 24.186 99 H GLN 14 H GLN 14 2.978 -3.658 25.656 100 HA GLN 14 HA GLN 14 3.212 -1.510 27.563 101 1HB GLN 14 1HB GLN 14 1.309 -2.596 25.866 102 2HB GLN 14 2HB GLN 14 0.667 -2.977 27.463 103 1HG GLN 14 1HG GLN 14 0.035 -0.837 27.752 104 2HG GLN 14 2HG GLN 14 1.688 -0.288 27.476 105 2HE2 GLN 14 2HE2 GLN 14 -1.165 -1.444 25.581 106 1HE2 GLN 14 1HE2 GLN 14 -0.897 -0.402 24.268 107 H GLY 15 H GLY 15 2.744 -4.999 27.872 108 1HA GLY 15 1HA GLY 15 3.505 -4.946 30.665 109 2HA GLY 15 2HA GLY 15 2.947 -6.365 29.778 110 H TRP 16 H TRP 16 0.440 -5.829 29.031 111 HA TRP 16 HA TRP 16 -0.998 -4.911 31.497 112 1HB TRP 16 1HB TRP 16 -1.541 -4.875 28.540 113 2HB TRP 16 2HB TRP 16 -2.895 -4.822 29.669 114 HD1 TRP 16 HD1 TRP 16 -0.051 -3.217 31.285 115 HE1 TRP 16 HE1 TRP 16 -0.200 -0.650 31.111 116 HE3 TRP 16 HE3 TRP 16 -3.682 -2.784 27.722 117 HZ2 TRP 16 HZ2 TRP 16 -1.666 1.326 29.652 118 HZ3 TRP 16 HZ3 TRP 16 -4.436 -0.550 26.958 119 HH2 TRP 16 HH2 TRP 16 -3.433 1.504 27.920 120 H ASP 17 H ASP 17 -3.294 -6.072 31.540 121 HA ASP 17 HA ASP 17 -2.781 -9.014 31.287 122 1HB ASP 17 1HB ASP 17 -4.481 -7.310 33.127 123 2HB ASP 17 2HB ASP 17 -4.603 -9.069 33.079 124 H MET 18 H MET 18 -4.177 -10.202 30.007 125 HA MET 18 HA MET 18 -5.963 -8.907 28.171 126 1HB MET 18 1HB MET 18 -5.785 -11.803 29.063 127 2HB MET 18 2HB MET 18 -6.497 -11.229 27.556 128 1HG MET 18 1HG MET 18 -4.472 -11.006 26.565 129 2HG MET 18 2HG MET 18 -3.772 -10.234 27.988 130 1HE MET 18 1HE MET 18 -4.224 -12.974 25.799 131 2HE MET 18 2HE MET 18 -3.459 -14.416 26.480 132 3HE MET 18 3HE MET 18 -5.111 -13.998 26.925 133 H ASP 19 H ASP 19 -6.428 -10.251 31.378 134 HA ASP 19 HA ASP 19 -9.389 -10.134 31.096 135 1HB ASP 19 1HB ASP 19 -7.492 -11.734 32.463 136 2HB ASP 19 2HB ASP 19 -8.390 -10.863 33.706 137 H ASP 20 H ASP 20 -6.754 -8.730 33.057 138 HA ASP 20 HA ASP 20 -8.551 -6.996 34.569 139 1HB ASP 20 1HB ASP 20 -5.761 -7.802 34.481 140 2HB ASP 20 2HB ASP 20 -5.902 -6.059 34.712 141 H ASP 21 H ASP 21 -5.955 -6.292 32.185 142 HA ASP 21 HA ASP 21 -6.845 -3.545 31.817 143 1HB ASP 21 1HB ASP 21 -4.888 -5.402 30.444 144 2HB ASP 21 2HB ASP 21 -5.110 -3.726 29.942 145 H ASP 22 H ASP 22 -7.629 -6.609 30.337 146 HA ASP 22 HA ASP 22 -9.017 -7.137 28.492 147 1HB ASP 22 1HB ASP 22 -10.092 -4.927 30.056 148 2HB ASP 22 2HB ASP 22 -10.645 -4.853 28.383 149 H LEU 23 H LEU 23 -6.624 -6.200 27.577 150 HA LEU 23 HA LEU 23 -6.409 -3.871 26.073 151 1HB LEU 23 1HB LEU 23 -5.507 -6.719 25.630 152 2HB LEU 23 2HB LEU 23 -5.031 -5.429 24.524 153 HG LEU 23 HG LEU 23 -4.541 -4.307 27.002 154 1HD1 LEU 23 1HD1 LEU 23 -4.034 -7.283 27.078 155 2HD1 LEU 23 2HD1 LEU 23 -3.081 -6.164 28.052 156 3HD1 LEU 23 3HD1 LEU 23 -4.825 -6.275 28.290 157 1HD2 LEU 23 1HD2 LEU 23 -3.135 -4.364 24.887 158 2HD2 LEU 23 2HD2 LEU 23 -2.226 -4.500 26.391 159 3HD2 LEU 23 3HD2 LEU 23 -2.541 -5.936 25.417 160 H PHE 24 H PHE 24 -8.305 -6.757 25.310 161 HA PHE 24 HA PHE 24 -8.845 -6.205 22.558 162 1HB PHE 24 1HB PHE 24 -10.082 -7.760 24.800 163 2HB PHE 24 2HB PHE 24 -11.015 -7.553 23.319 164 HD1 PHE 24 HD1 PHE 24 -9.745 -8.051 21.076 165 HD2 PHE 24 HD2 PHE 24 -8.489 -9.469 24.932 166 HE1 PHE 24 HE1 PHE 24 -8.397 -9.825 19.985 167 HE2 PHE 24 HE2 PHE 24 -7.140 -11.240 23.841 168 HZ PHE 24 HZ PHE 24 -7.095 -11.420 21.369 169 H GLU 25 H GLU 25 -9.795 -4.526 25.377 170 HA GLU 25 HA GLU 25 -12.052 -3.209 23.897 171 1HB GLU 25 1HB GLU 25 -11.596 -4.077 26.724 172 2HB GLU 25 2HB GLU 25 -12.580 -2.639 26.455 173 1HG GLU 25 1HG GLU 25 -14.104 -4.484 26.461 174 2HG GLU 25 2HG GLU 25 -13.905 -4.028 24.769 175 H LYS 26 H LYS 26 -9.428 -2.653 26.268 176 HA LYS 26 HA LYS 26 -9.603 0.208 26.282 177 1HB LYS 26 1HB LYS 26 -7.271 -1.677 26.762 178 2HB LYS 26 2HB LYS 26 -7.343 0.006 27.286 179 1HG LYS 26 1HG LYS 26 -9.333 -2.127 28.112 180 2HG LYS 26 2HG LYS 26 -7.964 -1.609 29.097 181 1HD LYS 26 1HD LYS 26 -9.589 -0.198 29.941 182 2HD LYS 26 2HD LYS 26 -9.004 0.801 28.611 183 1HE LYS 26 1HE LYS 26 -11.232 0.851 28.033 184 2HE LYS 26 2HE LYS 26 -10.878 -0.736 27.326 185 1HZ LYS 26 1HZ LYS 26 -11.708 -0.268 30.146 186 2HZ LYS 26 2HZ LYS 26 -12.742 -0.816 28.916 187 3HZ LYS 26 3HZ LYS 26 -11.435 -1.778 29.417 188 H ALA 27 H ALA 27 -8.047 -2.066 24.099 189 HA ALA 27 HA ALA 27 -6.188 -0.348 22.808 190 1HB ALA 27 1HB ALA 27 -7.879 -2.664 21.814 191 2HB ALA 27 2HB ALA 27 -6.505 -1.999 20.932 192 3HB ALA 27 3HB ALA 27 -6.258 -2.763 22.503 193 H ALA 28 H ALA 28 -9.628 -0.286 22.814 194 HA ALA 28 HA ALA 28 -9.986 0.958 20.194 195 1HB ALA 28 1HB ALA 28 -11.535 -0.296 22.150 196 2HB ALA 28 2HB ALA 28 -12.146 0.472 20.684 197 3HB ALA 28 3HB ALA 28 -12.074 1.383 22.193 198 H ASP 29 H ASP 29 -9.190 2.061 23.399 199 HA ASP 29 HA ASP 29 -9.825 4.886 22.658 200 1HB ASP 29 1HB ASP 29 -10.709 3.879 24.770 201 2HB ASP 29 2HB ASP 29 -9.049 3.625 25.308 202 H ALA 30 H ALA 30 -7.251 2.754 22.547 203 HA ALA 30 HA ALA 30 -5.163 4.652 23.412 204 1HB ALA 30 1HB ALA 30 -4.973 1.948 22.053 205 2HB ALA 30 2HB ALA 30 -5.119 2.164 23.797 206 3HB ALA 30 3HB ALA 30 -3.694 2.766 22.951 207 H GLY 31 H GLY 31 -6.240 3.103 20.389 208 1HA GLY 31 1HA GLY 31 -5.039 5.378 18.891 209 2HA GLY 31 2HA GLY 31 -6.296 4.305 18.273 210 H LEU 32 H LEU 32 -5.161 1.816 18.916 211 HA LEU 32 HA LEU 32 -2.419 1.690 17.874 212 1HB LEU 32 1HB LEU 32 -4.525 -0.352 18.646 213 2HB LEU 32 2HB LEU 32 -2.886 -0.781 18.156 214 HG LEU 32 HG LEU 32 -3.239 1.266 20.314 215 1HD1 LEU 32 1HD1 LEU 32 -4.293 -1.417 20.448 216 2HD1 LEU 32 2HD1 LEU 32 -2.937 -1.256 21.564 217 3HD1 LEU 32 3HD1 LEU 32 -4.313 -0.161 21.686 218 1HD2 LEU 32 1HD2 LEU 32 -1.218 -0.809 19.486 219 2HD2 LEU 32 2HD2 LEU 32 -0.989 0.924 19.720 220 3HD2 LEU 32 3HD2 LEU 32 -1.187 -0.135 21.115 221 H ASP 33 H ASP 33 -2.094 -0.070 16.052 222 HA ASP 33 HA ASP 33 -3.544 0.853 13.690 223 1HB ASP 33 1HB ASP 33 -1.199 -0.794 14.408 224 2HB ASP 33 2HB ASP 33 -2.015 -1.296 12.927 225 H GLY 34 H GLY 34 -4.488 -0.840 12.150 226 1HA GLY 34 1HA GLY 34 -6.330 -2.293 11.850 227 2HA GLY 34 2HA GLY 34 -6.446 -2.450 13.602 228 H GLU 35 H GLU 35 -3.467 -3.023 11.824 229 HA GLU 35 HA GLU 35 -3.740 -5.874 11.529 230 1HB GLU 35 1HB GLU 35 -1.232 -4.195 11.822 231 2HB GLU 35 2HB GLU 35 -1.381 -5.738 10.982 232 1HG GLU 35 1HG GLU 35 -1.811 -4.553 9.108 233 2HG GLU 35 2HG GLU 35 -3.362 -4.137 9.833 234 H ASP 36 H ASP 36 -3.268 -3.939 14.299 235 HA ASP 36 HA ASP 36 -1.969 -6.181 15.800 236 1HB ASP 36 1HB ASP 36 -2.319 -3.208 16.287 237 2HB ASP 36 2HB ASP 36 -1.624 -4.300 17.483 238 H TYR 37 H TYR 37 -4.682 -3.855 15.988 239 HA TYR 37 HA TYR 37 -6.135 -5.839 17.698 240 1HB TYR 37 1HB TYR 37 -5.302 -4.226 19.232 241 2HB TYR 37 2HB TYR 37 -5.612 -2.892 18.121 242 HD1 TYR 37 HD1 TYR 37 -7.458 -5.663 19.860 243 HD2 TYR 37 HD2 TYR 37 -7.531 -1.604 18.453 244 HE1 TYR 37 HE1 TYR 37 -9.709 -5.358 20.856 245 HE2 TYR 37 HE2 TYR 37 -9.782 -1.300 19.448 246 HH TYR 37 HH TYR 37 -11.763 -2.974 20.053 247 H GLY 38 H GLY 38 -8.281 -6.084 17.102 248 1HA GLY 38 1HA GLY 38 -9.200 -4.896 14.632 249 2HA GLY 38 2HA GLY 38 -10.019 -4.182 16.021 250 H THR 39 H THR 39 -11.676 -5.481 14.383 251 HA THR 39 HA THR 39 -12.300 -7.997 15.873 252 HB THR 39 HB THR 39 -14.093 -6.384 14.048 253 HG1 THR 39 HG1 THR 39 -14.505 -5.871 16.636 254 1HG2 THR 39 1HG2 THR 39 -14.433 -8.494 16.151 255 2HG2 THR 39 2HG2 THR 39 -15.727 -7.323 15.895 256 3HG2 THR 39 3HG2 THR 39 -15.201 -8.360 14.569 257 H MET 40 H MET 40 -12.158 -9.926 14.785 258 HA MET 40 HA MET 40 -11.571 -9.865 11.869 259 1HB MET 40 1HB MET 40 -10.576 -11.242 14.087 260 2HB MET 40 2HB MET 40 -11.539 -12.447 13.234 261 1HG MET 40 1HG MET 40 -9.447 -10.696 11.911 262 2HG MET 40 2HG MET 40 -9.158 -12.351 12.449 263 1HE MET 40 1HE MET 40 -9.503 -10.284 9.832 264 2HE MET 40 2HE MET 40 -10.460 -11.003 8.527 265 3HE MET 40 3HE MET 40 -11.255 -10.096 9.811 266 H GLU 41 H GLU 41 -13.000 -10.730 10.369 267 HA GLU 41 HA GLU 41 -15.477 -12.046 11.441 268 1HB GLU 41 1HB GLU 41 -16.588 -10.907 9.474 269 2HB GLU 41 2HB GLU 41 -15.952 -9.793 10.685 270 1HG GLU 41 1HG GLU 41 -13.911 -10.449 8.732 271 2HG GLU 41 2HG GLU 41 -15.353 -9.819 7.935 272 H VAL 42 H VAL 42 -15.502 -14.154 10.779 273 HA VAL 42 HA VAL 42 -15.021 -14.832 7.960 274 HB VAL 42 HB VAL 42 -12.750 -14.788 8.671 275 1HG1 VAL 42 1HG1 VAL 42 -13.828 -16.064 11.187 276 2HG1 VAL 42 2HG1 VAL 42 -12.109 -16.103 10.796 277 3HG1 VAL 42 3HG1 VAL 42 -12.926 -14.557 11.025 278 1HG2 VAL 42 1HG2 VAL 42 -13.943 -17.155 7.888 279 2HG2 VAL 42 2HG2 VAL 42 -12.204 -16.873 7.971 280 3HG2 VAL 42 3HG2 VAL 42 -13.038 -17.636 9.325 281 H ALA 43 H ALA 43 -16.339 -16.553 7.467 282 HA ALA 43 HA ALA 43 -17.979 -17.790 9.524 283 1HB ALA 43 1HB ALA 43 -17.625 -18.735 6.680 284 2HB ALA 43 2HB ALA 43 -19.090 -18.737 7.662 285 3HB ALA 43 3HB ALA 43 -18.452 -17.218 7.032 286 H GLU 44 H GLU 44 -18.154 -20.272 9.565 287 HA GLU 44 HA GLU 44 -15.641 -21.426 10.371 288 1HB GLU 44 1HB GLU 44 -18.282 -22.739 9.650 289 2HB GLU 44 2HB GLU 44 -17.027 -23.421 10.685 290 1HG GLU 44 1HG GLU 44 -18.067 -22.439 12.430 291 2HG GLU 44 2HG GLU 44 -17.548 -20.888 11.769 292 H GLY 45 H GLY 45 -14.081 -22.212 9.017 293 1HA GLY 45 1HA GLY 45 -14.947 -23.292 6.363 294 2HA GLY 45 2HA GLY 45 -13.587 -23.946 7.277 295 H GLU 46 H GLU 46 -13.861 -20.551 7.480 296 HA GLU 46 HA GLU 46 -12.006 -20.120 5.181 297 1HB GLU 46 1HB GLU 46 -14.145 -18.673 6.547 298 2HB GLU 46 2HB GLU 46 -12.704 -17.677 6.340 299 1HG GLU 46 1HG GLU 46 -14.015 -19.265 4.114 300 2HG GLU 46 2HG GLU 46 -14.283 -17.544 4.396 301 H TYR 47 H TYR 47 -9.891 -20.391 5.854 302 HA TYR 47 HA TYR 47 -8.843 -20.242 8.450 303 1HB TYR 47 1HB TYR 47 -7.495 -19.358 5.880 304 2HB TYR 47 2HB TYR 47 -6.709 -20.030 7.309 305 HD1 TYR 47 HD1 TYR 47 -8.747 -22.164 7.972 306 HD2 TYR 47 HD2 TYR 47 -6.939 -21.016 4.248 307 HE1 TYR 47 HE1 TYR 47 -9.106 -24.454 7.092 308 HE2 TYR 47 HE2 TYR 47 -7.298 -23.307 3.369 309 HH TYR 47 HH TYR 47 -8.436 -25.254 3.724 310 H ILE 48 H ILE 48 -8.727 -18.547 9.861 311 HA ILE 48 HA ILE 48 -9.601 -15.944 9.500 312 HB ILE 48 HB ILE 48 -7.296 -17.007 11.162 313 1HG1 ILE 48 1HG1 ILE 48 -10.208 -16.506 11.851 314 2HG1 ILE 48 2HG1 ILE 48 -9.518 -18.090 11.500 315 1HG2 ILE 48 1HG2 ILE 48 -8.892 -14.441 11.428 316 2HG2 ILE 48 2HG2 ILE 48 -7.728 -15.037 12.610 317 3HG2 ILE 48 3HG2 ILE 48 -7.185 -14.559 11.002 318 1HD1 ILE 48 1HD1 ILE 48 -7.831 -17.584 13.375 319 2HD1 ILE 48 2HD1 ILE 48 -8.904 -16.260 13.826 320 3HD1 ILE 48 3HD1 ILE 48 -9.489 -17.923 13.873 321 H LEU 49 H LEU 49 -6.211 -17.052 9.085 322 HA LEU 49 HA LEU 49 -4.920 -14.708 8.387 323 1HB LEU 49 1HB LEU 49 -3.730 -16.769 8.461 324 2HB LEU 49 2HB LEU 49 -4.791 -17.512 7.264 325 HG LEU 49 HG LEU 49 -3.461 -15.061 6.319 326 1HD1 LEU 49 1HD1 LEU 49 -1.903 -16.969 7.770 327 2HD1 LEU 49 2HD1 LEU 49 -1.510 -17.135 6.059 328 3HD1 LEU 49 3HD1 LEU 49 -1.336 -15.571 6.856 329 1HD2 LEU 49 1HD2 LEU 49 -4.773 -16.614 4.894 330 2HD2 LEU 49 2HD2 LEU 49 -3.105 -16.474 4.341 331 3HD2 LEU 49 3HD2 LEU 49 -3.617 -17.897 5.249 332 H GLU 50 H GLU 50 -6.755 -16.778 6.102 333 HA GLU 50 HA GLU 50 -6.476 -15.019 3.845 334 1HB GLU 50 1HB GLU 50 -7.719 -17.507 4.587 335 2HB GLU 50 2HB GLU 50 -8.877 -16.532 3.683 336 1HG GLU 50 1HG GLU 50 -6.322 -16.293 2.415 337 2HG GLU 50 2HG GLU 50 -6.653 -18.006 2.671 338 H ALA 51 H ALA 51 -9.105 -15.444 6.235 339 HA ALA 51 HA ALA 51 -10.973 -13.615 5.184 340 1HB ALA 51 1HB ALA 51 -10.382 -15.001 7.659 341 2HB ALA 51 2HB ALA 51 -11.950 -14.535 7.001 342 3HB ALA 51 3HB ALA 51 -11.035 -13.396 7.987 343 H ALA 52 H ALA 52 -8.505 -12.966 7.667 344 HA ALA 52 HA ALA 52 -8.930 -10.102 7.643 345 1HB ALA 52 1HB ALA 52 -7.664 -12.008 9.219 346 2HB ALA 52 2HB ALA 52 -6.324 -11.064 8.567 347 3HB ALA 52 3HB ALA 52 -7.608 -10.265 9.476 348 H GLU 53 H GLU 53 -6.855 -12.291 5.838 349 HA GLU 53 HA GLU 53 -4.912 -10.424 4.896 350 1HB GLU 53 1HB GLU 53 -4.697 -12.844 4.674 351 2HB GLU 53 2HB GLU 53 -6.142 -12.911 3.665 352 1HG GLU 53 1HG GLU 53 -5.044 -12.124 1.814 353 2HG GLU 53 2HG GLU 53 -4.002 -11.060 2.759 354 H ALA 54 H ALA 54 -8.227 -11.065 3.922 355 HA ALA 54 HA ALA 54 -8.075 -9.593 1.406 356 1HB ALA 54 1HB ALA 54 -9.733 -11.445 2.514 357 2HB ALA 54 2HB ALA 54 -10.208 -10.408 1.170 358 3HB ALA 54 3HB ALA 54 -10.658 -9.976 2.820 359 H GLN 55 H GLN 55 -8.113 -8.659 4.655 360 HA GLN 55 HA GLN 55 -9.507 -6.077 4.092 361 1HB GLN 55 1HB GLN 55 -8.717 -7.619 6.574 362 2HB GLN 55 2HB GLN 55 -9.311 -5.959 6.656 363 1HG GLN 55 1HG GLN 55 -10.769 -8.363 5.517 364 2HG GLN 55 2HG GLN 55 -11.199 -7.450 6.964 365 2HE2 GLN 55 2HE2 GLN 55 -11.885 -5.134 6.606 366 1HE2 GLN 55 1HE2 GLN 55 -12.580 -4.699 5.120 367 H GLY 56 H GLY 56 -6.402 -7.479 5.022 368 1HA GLY 56 1HA GLY 56 -5.229 -4.731 5.078 369 2HA GLY 56 2HA GLY 56 -4.476 -6.016 4.135 370 H TYR 57 H TYR 57 -5.719 -7.555 6.751 371 HA TYR 57 HA TYR 57 -3.773 -6.850 8.802 372 1HB TYR 57 1HB TYR 57 -5.596 -9.253 8.422 373 2HB TYR 57 2HB TYR 57 -4.800 -8.802 9.933 374 HD1 TYR 57 HD1 TYR 57 -5.111 -6.025 10.291 375 HD2 TYR 57 HD2 TYR 57 -7.854 -8.749 8.429 376 HE1 TYR 57 HE1 TYR 57 -6.988 -4.489 10.810 377 HE2 TYR 57 HE2 TYR 57 -9.730 -7.222 8.946 378 HH TYR 57 HH TYR 57 -10.253 -5.111 9.605 379 H ASP 58 H ASP 58 -1.777 -7.829 9.170 380 HA ASP 58 HA ASP 58 -0.927 -9.914 7.193 381 1HB ASP 58 1HB ASP 58 1.370 -9.034 7.869 382 2HB ASP 58 2HB ASP 58 0.333 -7.873 7.039 383 H TRP 59 H TRP 59 -0.195 -11.879 7.957 384 HA TRP 59 HA TRP 59 0.179 -12.191 10.917 385 1HB TRP 59 1HB TRP 59 -1.168 -14.149 9.029 386 2HB TRP 59 2HB TRP 59 -1.102 -14.247 10.788 387 HD1 TRP 59 HD1 TRP 59 -2.353 -11.706 8.144 388 HE1 TRP 59 HE1 TRP 59 -4.542 -10.667 9.012 389 HE3 TRP 59 HE3 TRP 59 -2.719 -14.056 12.663 390 HZ2 TRP 59 HZ2 TRP 59 -6.233 -10.811 11.311 391 HZ3 TRP 59 HZ3 TRP 59 -4.631 -13.587 14.169 392 HH2 TRP 59 HH2 TRP 59 -6.386 -11.969 13.499 393 HA PRO 60 HA PRO 60 3.952 -14.067 9.608 394 1HB PRO 60 1HB PRO 60 4.547 -15.425 11.911 395 2HB PRO 60 2HB PRO 60 4.744 -13.670 11.744 396 1HG PRO 60 1HG PRO 60 2.548 -15.222 13.031 397 2HG PRO 60 2HG PRO 60 3.319 -13.717 13.553 398 1HD PRO 60 1HD PRO 60 0.892 -13.809 12.313 399 2HD PRO 60 2HD PRO 60 1.997 -12.423 12.194 400 H PHE 61 H PHE 61 4.330 -15.948 8.475 401 HA PHE 61 HA PHE 61 3.207 -18.519 9.367 402 1HB PHE 61 1HB PHE 61 1.937 -18.766 7.205 403 2HB PHE 61 2HB PHE 61 1.299 -17.502 8.254 404 HD1 PHE 61 HD1 PHE 61 3.842 -17.951 5.526 405 HD2 PHE 61 HD2 PHE 61 0.895 -15.400 7.334 406 HE1 PHE 61 HE1 PHE 61 4.179 -16.282 3.722 407 HE2 PHE 61 HE2 PHE 61 1.233 -13.733 5.531 408 HZ PHE 61 HZ PHE 61 2.874 -14.173 3.724 409 H SER 62 H SER 62 4.217 -20.285 8.279 410 HA SER 62 HA SER 62 6.318 -19.574 6.268 411 1HB SER 62 1HB SER 62 7.569 -21.455 7.734 412 2HB SER 62 2HB SER 62 7.653 -19.741 8.143 413 HG SER 62 HG SER 62 6.732 -21.668 9.636 414 H CYS 63 H CYS 63 4.977 -22.421 7.990 415 HA CYS 63 HA CYS 63 5.347 -24.133 5.671 416 1HB CYS 63 1HB CYS 63 4.820 -25.807 7.191 417 2HB CYS 63 2HB CYS 63 5.338 -24.534 8.290 418 H ARG 64 H ARG 64 2.559 -22.453 7.127 419 HA ARG 64 HA ARG 64 0.391 -22.056 6.271 420 1HB ARG 64 1HB ARG 64 1.896 -22.605 3.697 421 2HB ARG 64 2HB ARG 64 0.381 -21.711 3.839 422 1HG ARG 64 1HG ARG 64 2.127 -20.524 5.702 423 2HG ARG 64 2HG ARG 64 3.096 -20.778 4.250 424 1HD ARG 64 1HD ARG 64 0.327 -19.606 4.012 425 2HD ARG 64 2HD ARG 64 1.701 -18.569 4.438 426 HE ARG 64 HE ARG 64 2.805 -19.345 2.340 427 1HH1 ARG 64 1HH1 ARG 64 1.453 -21.755 1.566 428 2HH1 ARG 64 2HH1 ARG 64 0.255 -21.236 0.428 429 1HH2 ARG 64 1HH2 ARG 64 0.394 -17.909 1.399 430 2HH2 ARG 64 2HH2 ARG 64 -0.344 -19.057 0.334 431 H ALA 65 H ALA 65 1.115 -24.886 6.918 432 HA ALA 65 HA ALA 65 -1.007 -26.214 5.310 433 1HB ALA 65 1HB ALA 65 0.920 -28.166 5.853 434 2HB ALA 65 2HB ALA 65 0.655 -27.376 4.299 435 3HB ALA 65 3HB ALA 65 1.863 -26.741 5.417 436 H GLY 66 H GLY 66 0.019 -25.297 8.325 437 1HA GLY 66 1HA GLY 66 -1.788 -27.185 9.640 438 2HA GLY 66 2HA GLY 66 -0.938 -25.853 10.420 439 H ALA 67 H ALA 67 1.728 -26.609 9.583 440 HA ALA 67 HA ALA 67 2.051 -29.135 11.168 441 1HB ALA 67 1HB ALA 67 2.618 -29.865 9.066 442 2HB ALA 67 2HB ALA 67 3.057 -28.250 8.512 443 3HB ALA 67 3HB ALA 67 4.177 -29.173 9.513 444 H CYS 68 H CYS 68 2.614 -25.885 11.340 445 HA CYS 68 HA CYS 68 5.007 -26.339 13.058 446 1HB CYS 68 1HB CYS 68 6.346 -24.861 11.874 447 2HB CYS 68 2HB CYS 68 5.383 -25.519 10.557 448 H ALA 69 H ALA 69 5.473 -23.872 14.064 449 HA ALA 69 HA ALA 69 2.789 -22.970 15.072 450 1HB ALA 69 1HB ALA 69 5.354 -23.750 16.381 451 2HB ALA 69 2HB ALA 69 3.694 -24.048 16.899 452 3HB ALA 69 3HB ALA 69 4.422 -22.459 17.138 453 H ASN 70 H ASN 70 5.111 -21.905 13.091 454 HA ASN 70 HA ASN 70 6.086 -19.447 14.100 455 1HB ASN 70 1HB ASN 70 5.364 -20.561 11.399 456 2HB ASN 70 2HB ASN 70 5.906 -18.889 11.533 457 2HD2 ASN 70 2HD2 ASN 70 8.107 -18.532 12.461 458 1HD2 ASN 70 1HD2 ASN 70 9.264 -19.771 12.386 459 H CYS 71 H CYS 71 2.978 -20.214 12.535 460 HA CYS 71 HA CYS 71 2.061 -17.412 12.718 461 1HB CYS 71 1HB CYS 71 0.196 -18.259 11.454 462 2HB CYS 71 2HB CYS 71 1.624 -19.085 10.833 463 H ALA 72 H ALA 72 2.508 -19.595 15.030 464 HA ALA 72 HA ALA 72 0.212 -20.284 16.377 465 1HB ALA 72 1HB ALA 72 2.544 -20.680 17.097 466 2HB ALA 72 2HB ALA 72 1.576 -20.018 18.414 467 3HB ALA 72 3HB ALA 72 2.694 -18.976 17.532 468 H SER 73 H SER 73 -1.104 -19.274 17.989 469 HA SER 73 HA SER 73 -1.088 -16.286 18.104 470 1HB SER 73 1HB SER 73 -3.342 -18.157 17.330 471 2HB SER 73 2HB SER 73 -3.611 -16.475 17.790 472 HG SER 73 HG SER 73 -2.237 -17.522 15.569 473 H ILE 74 H ILE 74 -3.412 -16.053 19.638 474 HA ILE 74 HA ILE 74 -3.125 -17.900 21.946 475 HB ILE 74 HB ILE 74 -2.525 -14.935 21.923 476 1HG1 ILE 74 1HG1 ILE 74 -0.666 -16.490 21.420 477 2HG1 ILE 74 2HG1 ILE 74 -0.424 -15.682 22.969 478 1HG2 ILE 74 1HG2 ILE 74 -3.606 -16.653 24.070 479 2HG2 ILE 74 2HG2 ILE 74 -2.178 -15.720 24.520 480 3HG2 ILE 74 3HG2 ILE 74 -3.617 -14.896 23.922 481 1HD1 ILE 74 1HD1 ILE 74 -1.831 -17.867 23.773 482 2HD1 ILE 74 2HD1 ILE 74 -0.967 -18.539 22.390 483 3HD1 ILE 74 3HD1 ILE 74 -0.069 -17.811 23.722 484 H VAL 75 H VAL 75 -5.364 -18.337 21.040 485 HA VAL 75 HA VAL 75 -7.493 -16.540 20.843 486 HB VAL 75 HB VAL 75 -7.606 -18.923 20.309 487 1HG1 VAL 75 1HG1 VAL 75 -6.391 -19.212 22.822 488 2HG1 VAL 75 2HG1 VAL 75 -7.991 -19.928 23.007 489 3HG1 VAL 75 3HG1 VAL 75 -6.904 -20.512 21.747 490 1HG2 VAL 75 1HG2 VAL 75 -9.576 -17.466 21.727 491 2HG2 VAL 75 2HG2 VAL 75 -9.831 -18.837 20.649 492 3HG2 VAL 75 3HG2 VAL 75 -9.609 -19.105 22.377 493 H LYS 76 H LYS 76 -8.217 -15.047 22.316 494 HA LYS 76 HA LYS 76 -7.606 -15.359 25.186 495 1HB LYS 76 1HB LYS 76 -7.603 -13.260 23.545 496 2HB LYS 76 2HB LYS 76 -9.297 -13.176 24.026 497 1HG LYS 76 1HG LYS 76 -7.895 -13.637 26.413 498 2HG LYS 76 2HG LYS 76 -6.924 -12.451 25.539 499 1HD LYS 76 1HD LYS 76 -8.386 -10.928 26.381 500 2HD LYS 76 2HD LYS 76 -9.479 -11.513 25.128 501 1HE LYS 76 1HE LYS 76 -10.324 -13.241 26.759 502 2HE LYS 76 2HE LYS 76 -9.338 -12.464 28.011 503 1HZ LYS 76 1HZ LYS 76 -10.786 -10.534 26.497 504 2HZ LYS 76 2HZ LYS 76 -11.851 -11.679 27.157 505 3HZ LYS 76 3HZ LYS 76 -10.805 -10.809 28.172 506 H GLU 77 H GLU 77 -10.162 -16.189 23.079 507 HA GLU 77 HA GLU 77 -11.810 -17.309 25.119 508 1HB GLU 77 1HB GLU 77 -11.867 -14.522 25.047 509 2HB GLU 77 2HB GLU 77 -13.324 -14.992 24.173 510 1HG GLU 77 1HG GLU 77 -14.324 -15.442 26.138 511 2HG GLU 77 2HG GLU 77 -13.128 -16.705 26.432 512 H GLY 78 H GLY 78 -13.500 -18.501 24.162 513 1HA GLY 78 1HA GLY 78 -14.073 -17.976 21.284 514 2HA GLY 78 2HA GLY 78 -15.124 -18.881 22.373 515 H GLU 79 H GLU 79 -14.555 -20.120 20.044 516 HA GLU 79 HA GLU 79 -12.331 -22.035 20.654 517 1HB GLU 79 1HB GLU 79 -14.343 -23.090 21.395 518 2HB GLU 79 2HB GLU 79 -15.241 -22.528 19.985 519 1HG GLU 79 1HG GLU 79 -13.859 -23.956 18.528 520 2HG GLU 79 2HG GLU 79 -12.944 -24.511 19.931 521 H ILE 80 H ILE 80 -11.563 -23.179 18.706 522 HA ILE 80 HA ILE 80 -12.398 -21.946 16.113 523 HB ILE 80 HB ILE 80 -9.608 -22.178 17.280 524 1HG1 ILE 80 1HG1 ILE 80 -11.411 -19.865 16.533 525 2HG1 ILE 80 2HG1 ILE 80 -10.719 -20.228 18.114 526 1HG2 ILE 80 1HG2 ILE 80 -10.093 -22.643 14.693 527 2HG2 ILE 80 2HG2 ILE 80 -10.147 -20.881 14.643 528 3HG2 ILE 80 3HG2 ILE 80 -8.695 -21.704 15.211 529 1HD1 ILE 80 1HD1 ILE 80 -8.450 -19.833 17.204 530 2HD1 ILE 80 2HD1 ILE 80 -9.154 -19.446 15.635 531 3HD1 ILE 80 3HD1 ILE 80 -9.470 -18.405 17.022 532 H ASP 81 H ASP 81 -12.381 -23.425 14.415 533 HA ASP 81 HA ASP 81 -11.835 -26.251 15.097 534 1HB ASP 81 1HB ASP 81 -13.385 -24.669 13.150 535 2HB ASP 81 2HB ASP 81 -12.675 -26.136 12.478 536 H MET 82 H MET 82 -10.520 -27.584 13.591 537 HA MET 82 HA MET 82 -8.634 -26.164 11.812 538 1HB MET 82 1HB MET 82 -6.731 -27.299 13.183 539 2HB MET 82 2HB MET 82 -7.469 -25.841 13.843 540 1HG MET 82 1HG MET 82 -8.941 -28.228 14.628 541 2HG MET 82 2HG MET 82 -7.253 -28.316 15.129 542 1HE MET 82 1HE MET 82 -8.495 -28.657 17.195 543 2HE MET 82 2HE MET 82 -8.683 -27.369 18.392 544 3HE MET 82 3HE MET 82 -10.028 -27.802 17.338 545 H ASP 83 H ASP 83 -8.145 -27.509 10.114 546 HA ASP 83 HA ASP 83 -9.330 -29.988 9.625 547 1HB ASP 83 1HB ASP 83 -7.178 -28.329 8.583 548 2HB ASP 83 2HB ASP 83 -6.827 -30.042 8.358 549 H MET 84 H MET 84 -7.918 -32.095 9.288 550 HA MET 84 HA MET 84 -7.011 -32.958 11.914 551 1HB MET 84 1HB MET 84 -7.633 -34.050 9.262 552 2HB MET 84 2HB MET 84 -6.294 -34.885 10.050 553 1HG MET 84 1HG MET 84 -7.980 -34.704 12.146 554 2HG MET 84 2HG MET 84 -9.162 -34.728 10.838 555 1HE MET 84 1HE MET 84 -8.605 -35.909 8.819 556 2HE MET 84 2HE MET 84 -7.523 -37.287 8.639 557 3HE MET 84 3HE MET 84 -9.209 -37.551 9.075 558 H GLN 85 H GLN 85 -5.195 -31.408 12.188 559 HA GLN 85 HA GLN 85 -2.636 -32.528 11.634 560 1HB GLN 85 1HB GLN 85 -3.870 -31.325 9.413 561 2HB GLN 85 2HB GLN 85 -2.677 -30.147 9.962 562 1HG GLN 85 1HG GLN 85 -0.937 -31.907 9.938 563 2HG GLN 85 2HG GLN 85 -2.131 -33.072 9.365 564 2HE2 GLN 85 2HE2 GLN 85 -3.321 -32.299 7.251 565 1HE2 GLN 85 1HE2 GLN 85 -2.352 -31.534 6.085 566 H GLN 86 H GLN 86 -1.845 -31.780 13.594 567 HA GLN 86 HA GLN 86 -1.602 -28.839 13.938 568 1HB GLN 86 1HB GLN 86 -2.532 -29.154 16.293 569 2HB GLN 86 2HB GLN 86 -3.710 -29.325 14.991 570 1HG GLN 86 1HG GLN 86 -2.580 -31.884 15.326 571 2HG GLN 86 2HG GLN 86 -2.873 -31.280 16.958 572 2HE2 GLN 86 2HE2 GLN 86 -4.495 -33.357 16.288 573 1HE2 GLN 86 1HE2 GLN 86 -6.060 -32.830 15.895 574 H ILE 87 H ILE 87 0.541 -28.573 14.394 575 HA ILE 87 HA ILE 87 2.217 -30.721 15.409 576 HB ILE 87 HB ILE 87 2.919 -28.914 13.845 577 1HG1 ILE 87 1HG1 ILE 87 4.546 -30.117 15.376 578 2HG1 ILE 87 2HG1 ILE 87 5.085 -28.541 14.803 579 1HG2 ILE 87 1HG2 ILE 87 1.582 -27.263 15.633 580 2HG2 ILE 87 2HG2 ILE 87 3.280 -26.878 15.911 581 3HG2 ILE 87 3HG2 ILE 87 2.597 -26.729 14.293 582 1HD1 ILE 87 1HD1 ILE 87 3.671 -27.973 17.149 583 2HD1 ILE 87 2HD1 ILE 87 4.580 -29.435 17.527 584 3HD1 ILE 87 3HD1 ILE 87 5.423 -27.994 16.963 585 H LEU 88 H LEU 88 0.356 -28.133 16.827 586 HA LEU 88 HA LEU 88 1.760 -28.128 19.398 587 1HB LEU 88 1HB LEU 88 -0.189 -26.661 19.998 588 2HB LEU 88 2HB LEU 88 0.631 -26.148 18.523 589 HG LEU 88 HG LEU 88 -1.382 -28.088 17.849 590 1HD1 LEU 88 1HD1 LEU 88 -2.417 -27.333 19.995 591 2HD1 LEU 88 2HD1 LEU 88 -2.402 -25.678 19.383 592 3HD1 LEU 88 3HD1 LEU 88 -3.385 -26.905 18.584 593 1HD2 LEU 88 1HD2 LEU 88 -0.255 -25.815 16.785 594 2HD2 LEU 88 2HD2 LEU 88 -1.674 -26.632 16.130 595 3HD2 LEU 88 3HD2 LEU 88 -1.871 -25.254 17.213 596 H SER 89 H SER 89 0.021 -28.364 21.366 597 HA SER 89 HA SER 89 -1.390 -30.988 20.980 598 1HB SER 89 1HB SER 89 -0.269 -31.833 22.804 599 2HB SER 89 2HB SER 89 0.929 -30.629 22.329 600 HG SER 89 HG SER 89 0.605 -29.996 24.319 601 H ASP 90 H ASP 90 -3.175 -31.316 22.566 602 HA ASP 90 HA ASP 90 -4.997 -29.175 22.750 603 1HB ASP 90 1HB ASP 90 -4.633 -31.883 23.817 604 2HB ASP 90 2HB ASP 90 -5.585 -30.848 24.882 605 H GLU 91 H GLU 91 -2.586 -30.284 25.110 606 HA GLU 91 HA GLU 91 -3.292 -28.641 27.308 607 1HB GLU 91 1HB GLU 91 -1.451 -30.521 26.817 608 2HB GLU 91 2HB GLU 91 -0.421 -29.106 26.595 609 1HG GLU 91 1HG GLU 91 -2.170 -29.011 28.978 610 2HG GLU 91 2HG GLU 91 -0.925 -30.261 29.020 611 H GLU 92 H GLU 92 -1.473 -27.919 24.363 612 HA GLU 92 HA GLU 92 -0.581 -25.285 25.221 613 1HB GLU 92 1HB GLU 92 -0.251 -27.119 23.051 614 2HB GLU 92 2HB GLU 92 -0.750 -25.570 22.373 615 1HG GLU 92 1HG GLU 92 1.054 -24.433 23.590 616 2HG GLU 92 2HG GLU 92 1.532 -25.959 24.335 617 H VAL 93 H VAL 93 -3.361 -26.573 23.444 618 HA VAL 93 HA VAL 93 -4.395 -23.937 22.705 619 HB VAL 93 HB VAL 93 -5.503 -26.762 22.694 620 1HG1 VAL 93 1HG1 VAL 93 -6.702 -24.128 21.879 621 2HG1 VAL 93 2HG1 VAL 93 -7.125 -25.593 20.992 622 3HG1 VAL 93 3HG1 VAL 93 -7.459 -25.482 22.719 623 1HG2 VAL 93 1HG2 VAL 93 -3.597 -25.533 21.086 624 2HG2 VAL 93 2HG2 VAL 93 -4.536 -26.963 20.657 625 3HG2 VAL 93 3HG2 VAL 93 -5.086 -25.365 20.157 626 H GLU 94 H GLU 94 -4.547 -25.986 25.491 627 HA GLU 94 HA GLU 94 -6.964 -24.573 26.528 628 1HB GLU 94 1HB GLU 94 -5.638 -27.194 26.869 629 2HB GLU 94 2HB GLU 94 -6.287 -26.499 28.354 630 1HG GLU 94 1HG GLU 94 -8.463 -26.126 27.136 631 2HG GLU 94 2HG GLU 94 -7.794 -27.033 25.779 632 H GLU 95 H GLU 95 -3.522 -25.134 27.185 633 HA GLU 95 HA GLU 95 -3.704 -23.313 29.554 634 1HB GLU 95 1HB GLU 95 -1.642 -25.328 28.611 635 2HB GLU 95 2HB GLU 95 -1.452 -24.325 30.048 636 1HG GLU 95 1HG GLU 95 -4.047 -25.584 30.084 637 2HG GLU 95 2HG GLU 95 -2.799 -26.808 29.855 638 H LYS 96 H LYS 96 -2.732 -23.385 26.278 639 HA LYS 96 HA LYS 96 -0.951 -21.006 26.711 640 1HB LYS 96 1HB LYS 96 -0.375 -23.464 25.582 641 2HB LYS 96 2HB LYS 96 -0.733 -22.471 24.170 642 1HG LYS 96 1HG LYS 96 1.538 -22.031 24.461 643 2HG LYS 96 2HG LYS 96 0.817 -20.716 25.389 644 1HD LYS 96 1HD LYS 96 1.372 -21.668 27.428 645 2HD LYS 96 2HD LYS 96 1.342 -23.310 26.787 646 1HE LYS 96 1HE LYS 96 3.448 -22.866 25.553 647 2HE LYS 96 2HE LYS 96 3.483 -21.223 26.222 648 1HZ LYS 96 1HZ LYS 96 3.182 -23.592 27.969 649 2HZ LYS 96 2HZ LYS 96 4.722 -23.057 27.495 650 3HZ LYS 96 3HZ LYS 96 3.704 -22.030 28.385 651 H ASP 97 H ASP 97 -3.812 -22.234 25.229 652 HA ASP 97 HA ASP 97 -5.453 -21.164 23.906 653 1HB ASP 97 1HB ASP 97 -3.891 -19.091 25.301 654 2HB ASP 97 2HB ASP 97 -4.720 -18.507 23.856 655 H VAL 98 H VAL 98 -2.642 -21.964 22.799 656 HA VAL 98 HA VAL 98 -2.344 -20.101 20.533 657 HB VAL 98 HB VAL 98 -0.414 -21.533 20.032 658 1HG1 VAL 98 1HG1 VAL 98 -0.941 -20.398 22.692 659 2HG1 VAL 98 2HG1 VAL 98 0.334 -21.616 22.689 660 3HG1 VAL 98 3HG1 VAL 98 0.464 -20.201 21.644 661 1HG2 VAL 98 1HG2 VAL 98 -2.013 -23.503 21.298 662 2HG2 VAL 98 2HG2 VAL 98 -0.421 -23.718 20.572 663 3HG2 VAL 98 3HG2 VAL 98 -0.562 -23.321 22.284 664 H ARG 99 H ARG 99 -2.635 -20.750 18.321 665 HA ARG 99 HA ARG 99 -3.967 -23.347 17.782 666 1HB ARG 99 1HB ARG 99 -5.295 -20.811 18.158 667 2HB ARG 99 2HB ARG 99 -5.518 -21.348 16.492 668 1HG ARG 99 1HG ARG 99 -7.251 -22.522 17.442 669 2HG ARG 99 2HG ARG 99 -5.963 -23.685 17.761 670 1HD ARG 99 1HD ARG 99 -6.252 -23.425 19.993 671 2HD ARG 99 2HD ARG 99 -6.003 -21.675 19.846 672 HE ARG 99 HE ARG 99 -8.415 -21.461 19.320 673 1HH1 ARG 99 1HH1 ARG 99 -8.728 -24.393 18.495 674 2HH1 ARG 99 2HH1 ARG 99 -9.649 -25.011 19.825 675 1HH2 ARG 99 1HH2 ARG 99 -8.990 -22.302 21.886 676 2HH2 ARG 99 2HH2 ARG 99 -9.798 -23.827 21.744 677 H LEU 100 H LEU 100 -4.840 -22.704 15.181 678 HA LEU 100 HA LEU 100 -2.244 -22.064 13.820 679 1HB LEU 100 1HB LEU 100 -4.573 -23.858 13.064 680 2HB LEU 100 2HB LEU 100 -3.169 -23.570 12.037 681 HG LEU 100 HG LEU 100 -2.826 -24.527 14.875 682 1HD1 LEU 100 1HD1 LEU 100 -3.950 -25.997 12.593 683 2HD1 LEU 100 2HD1 LEU 100 -2.532 -26.775 13.297 684 3HD1 LEU 100 3HD1 LEU 100 -3.935 -26.420 14.304 685 1HD2 LEU 100 1HD2 LEU 100 -1.205 -24.442 12.342 686 2HD2 LEU 100 2HD2 LEU 100 -0.760 -23.900 13.960 687 3HD2 LEU 100 3HD2 LEU 100 -0.820 -25.624 13.593 688 H THR 101 H THR 101 -2.377 -20.012 12.994 689 HA THR 101 HA THR 101 -4.947 -18.798 12.282 690 HB THR 101 HB THR 101 -2.036 -17.986 12.195 691 HG1 THR 101 HG1 THR 101 -2.666 -16.716 13.899 692 1HG2 THR 101 1HG2 THR 101 -3.361 -16.939 10.327 693 2HG2 THR 101 2HG2 THR 101 -4.419 -16.238 11.551 694 3HG2 THR 101 3HG2 THR 101 -2.716 -15.783 11.492 695 H CYS 102 H CYS 102 -2.302 -20.386 10.587 696 HA CYS 102 HA CYS 102 -3.007 -19.361 7.948 697 1HB CYS 102 1HB CYS 102 -1.345 -21.087 7.247 698 2HB CYS 102 2HB CYS 102 -0.742 -20.068 8.555 699 H ILE 103 H ILE 103 -3.763 -22.290 9.812 700 HA ILE 103 HA ILE 103 -5.751 -23.006 7.685 701 HB ILE 103 HB ILE 103 -5.074 -25.338 7.955 702 1HG1 ILE 103 1HG1 ILE 103 -2.700 -24.996 9.543 703 2HG1 ILE 103 2HG1 ILE 103 -4.092 -24.395 10.444 704 1HG2 ILE 103 1HG2 ILE 103 -2.890 -23.314 7.486 705 2HG2 ILE 103 2HG2 ILE 103 -2.560 -25.043 7.363 706 3HG2 ILE 103 3HG2 ILE 103 -3.757 -24.296 6.304 707 1HD1 ILE 103 1HD1 ILE 103 -5.287 -26.535 9.913 708 2HD1 ILE 103 2HD1 ILE 103 -3.805 -27.132 9.168 709 3HD1 ILE 103 3HD1 ILE 103 -3.843 -26.775 10.895 710 H GLY 104 H GLY 104 -6.116 -21.589 10.266 711 1HA GLY 104 1HA GLY 104 -6.983 -22.308 12.518 712 2HA GLY 104 2HA GLY 104 -7.786 -23.633 11.677 713 H SER 105 H SER 105 -9.937 -23.112 12.012 714 HA SER 105 HA SER 105 -10.835 -20.421 11.026 715 1HB SER 105 1HB SER 105 -12.137 -21.562 9.573 716 2HB SER 105 2HB SER 105 -11.387 -23.058 10.130 717 HG SER 105 HG SER 105 -13.774 -21.836 10.960 718 HA PRO 106 HA PRO 106 -12.600 -20.019 15.051 719 1HB PRO 106 1HB PRO 106 -14.294 -17.939 14.525 720 2HB PRO 106 2HB PRO 106 -12.539 -17.739 14.684 721 1HG PRO 106 1HG PRO 106 -14.225 -17.868 12.236 722 2HG PRO 106 2HG PRO 106 -12.791 -16.889 12.567 723 1HD PRO 106 1HD PRO 106 -12.791 -19.187 11.055 724 2HD PRO 106 2HD PRO 106 -11.365 -18.539 11.892 725 H ALA 107 H ALA 107 -14.419 -20.867 16.089 726 HA ALA 107 HA ALA 107 -16.658 -21.788 14.324 727 1HB ALA 107 1HB ALA 107 -16.805 -23.197 16.688 728 2HB ALA 107 2HB ALA 107 -15.070 -22.918 16.533 729 3HB ALA 107 3HB ALA 107 -15.949 -23.747 15.248 730 H ALA 108 H ALA 108 -16.356 -21.267 17.831 731 HA ALA 108 HA ALA 108 -18.944 -20.542 18.463 732 1HB ALA 108 1HB ALA 108 -16.663 -20.672 19.802 733 2HB ALA 108 2HB ALA 108 -17.995 -19.694 20.420 734 3HB ALA 108 3HB ALA 108 -16.662 -18.925 19.557 735 H ASP 109 H ASP 109 -20.231 -18.700 18.241 736 HA ASP 109 HA ASP 109 -20.017 -16.946 16.097 737 1HB ASP 109 1HB ASP 109 -21.986 -17.259 17.556 738 2HB ASP 109 2HB ASP 109 -21.150 -16.423 18.866 739 H GLU 110 H GLU 110 -19.503 -15.678 19.393 740 HA GLU 110 HA GLU 110 -17.607 -13.678 18.316 741 1HB GLU 110 1HB GLU 110 -19.359 -14.081 20.644 742 2HB GLU 110 2HB GLU 110 -17.807 -13.353 21.059 743 1HG GLU 110 1HG GLU 110 -18.401 -11.386 20.126 744 2HG GLU 110 2HG GLU 110 -18.900 -12.181 18.633 745 H VAL 111 H VAL 111 -15.395 -13.819 18.603 746 HA VAL 111 HA VAL 111 -14.317 -15.679 20.666 747 HB VAL 111 HB VAL 111 -13.626 -15.756 17.712 748 1HG1 VAL 111 1HG1 VAL 111 -12.045 -16.481 19.821 749 2HG1 VAL 111 2HG1 VAL 111 -12.917 -17.986 19.520 750 3HG1 VAL 111 3HG1 VAL 111 -11.974 -17.239 18.230 751 1HG2 VAL 111 1HG2 VAL 111 -15.469 -17.386 19.445 752 2HG2 VAL 111 2HG2 VAL 111 -15.752 -16.740 17.829 753 3HG2 VAL 111 3HG2 VAL 111 -14.682 -18.125 18.050 754 H LYS 112 H LYS 112 -12.174 -15.136 21.306 755 HA LYS 112 HA LYS 112 -11.070 -12.609 20.118 756 1HB LYS 112 1HB LYS 112 -11.314 -13.573 22.980 757 2HB LYS 112 2HB LYS 112 -10.279 -12.223 22.520 758 1HG LYS 112 1HG LYS 112 -12.077 -10.860 21.957 759 2HG LYS 112 2HG LYS 112 -13.135 -12.227 21.608 760 1HD LYS 112 1HD LYS 112 -13.742 -12.491 23.804 761 2HD LYS 112 2HD LYS 112 -12.161 -11.995 24.407 762 1HE LYS 112 1HE LYS 112 -13.251 -10.055 24.969 763 2HE LYS 112 2HE LYS 112 -13.080 -9.664 23.246 764 1HZ LYS 112 1HZ LYS 112 -15.166 -11.075 22.957 765 2HZ LYS 112 2HZ LYS 112 -15.374 -10.927 24.635 766 3HZ LYS 112 3HZ LYS 112 -15.373 -9.541 23.655 767 H ILE 113 H ILE 113 -8.836 -12.633 19.744 768 HA ILE 113 HA ILE 113 -7.122 -14.734 20.873 769 HB ILE 113 HB ILE 113 -8.265 -15.915 19.074 770 1HG1 ILE 113 1HG1 ILE 113 -5.636 -15.174 17.826 771 2HG1 ILE 113 2HG1 ILE 113 -5.651 -15.977 19.396 772 1HG2 ILE 113 1HG2 ILE 113 -8.425 -13.423 17.898 773 2HG2 ILE 113 2HG2 ILE 113 -7.229 -14.242 16.893 774 3HG2 ILE 113 3HG2 ILE 113 -8.834 -14.944 17.105 775 1HD1 ILE 113 1HD1 ILE 113 -7.387 -17.575 18.142 776 2HD1 ILE 113 2HD1 ILE 113 -6.503 -17.010 16.723 777 3HD1 ILE 113 3HD1 ILE 113 -5.646 -17.838 18.023 778 H VAL 114 H VAL 114 -4.877 -14.258 20.529 779 HA VAL 114 HA VAL 114 -4.373 -11.475 19.571 780 HB VAL 114 HB VAL 114 -2.467 -13.295 21.050 781 1HG1 VAL 114 1HG1 VAL 114 -2.902 -10.294 21.008 782 2HG1 VAL 114 2HG1 VAL 114 -1.659 -11.133 21.936 783 3HG1 VAL 114 3HG1 VAL 114 -1.611 -11.158 20.172 784 1HG2 VAL 114 1HG2 VAL 114 -4.779 -11.689 22.165 785 2HG2 VAL 114 2HG2 VAL 114 -4.466 -13.411 22.381 786 3HG2 VAL 114 3HG2 VAL 114 -3.416 -12.221 23.149 787 H TYR 115 H TYR 115 -3.160 -11.160 17.715 788 HA TYR 115 HA TYR 115 -2.208 -13.586 16.291 789 1HB TYR 115 1HB TYR 115 -2.695 -12.389 14.398 790 2HB TYR 115 2HB TYR 115 -3.685 -11.452 15.510 791 HD1 TYR 115 HD1 TYR 115 -2.166 -9.590 16.867 792 HD2 TYR 115 HD2 TYR 115 -1.381 -11.162 12.944 793 HE1 TYR 115 HE1 TYR 115 -0.831 -7.577 16.323 794 HE2 TYR 115 HE2 TYR 115 -0.043 -9.145 12.407 795 HH TYR 115 HH TYR 115 0.187 -6.847 13.133 796 H ASN 116 H ASN 116 -0.058 -13.488 15.221 797 HA ASN 116 HA ASN 116 2.260 -12.994 15.167 798 1HB ASN 116 1HB ASN 116 0.923 -10.609 15.892 799 2HB ASN 116 2HB ASN 116 2.266 -10.769 17.015 800 2HD2 ASN 116 2HD2 ASN 116 2.896 -8.739 15.570 801 1HD2 ASN 116 1HD2 ASN 116 3.849 -9.080 14.208 802 H ALA 117 H ALA 117 1.421 -14.972 16.932 803 HA ALA 117 HA ALA 117 2.282 -14.491 19.667 804 1HB ALA 117 1HB ALA 117 1.616 -16.703 19.959 805 2HB ALA 117 2HB ALA 117 0.722 -16.299 18.494 806 3HB ALA 117 3HB ALA 117 2.233 -17.201 18.384 807 H LYS 118 H LYS 118 3.905 -15.249 16.700 808 HA LYS 118 HA LYS 118 6.167 -16.700 17.443 809 1HB LYS 118 1HB LYS 118 7.272 -15.200 15.658 810 2HB LYS 118 2HB LYS 118 5.813 -16.063 15.172 811 1HG LYS 118 1HG LYS 118 4.545 -14.147 15.084 812 2HG LYS 118 2HG LYS 118 5.432 -13.374 16.397 813 1HD LYS 118 1HD LYS 118 6.389 -13.735 13.541 814 2HD LYS 118 2HD LYS 118 5.924 -12.216 14.305 815 1HE LYS 118 1HE LYS 118 7.779 -12.930 16.080 816 2HE LYS 118 2HE LYS 118 8.403 -13.854 14.700 817 H HIS 119 H HIS 119 5.290 -13.446 18.358 818 HA HIS 119 HA HIS 119 7.905 -12.506 19.138 819 1HB HIS 119 1HB HIS 119 5.078 -11.795 19.983 820 2HB HIS 119 2HB HIS 119 6.501 -10.837 20.393 821 HD1 HIS 119 HD1 HIS 119 8.058 -10.622 17.892 822 HD2 HIS 119 HD2 HIS 119 3.892 -10.564 17.827 823 HE1 HIS 119 HE1 HIS 119 7.391 -9.508 15.717 824 H LEU 120 H LEU 120 5.577 -14.640 20.626 825 HA LEU 120 HA LEU 120 5.972 -14.430 23.352 826 1HB LEU 120 1HB LEU 120 5.615 -16.666 21.407 827 2HB LEU 120 2HB LEU 120 6.041 -17.105 23.062 828 HG LEU 120 HG LEU 120 3.883 -15.073 22.661 829 1HD1 LEU 120 1HD1 LEU 120 3.323 -16.864 21.051 830 2HD1 LEU 120 2HD1 LEU 120 3.489 -18.065 22.333 831 3HD1 LEU 120 3HD1 LEU 120 2.203 -16.861 22.414 832 1HD2 LEU 120 1HD2 LEU 120 4.970 -16.157 24.860 833 2HD2 LEU 120 2HD2 LEU 120 3.266 -15.709 24.790 834 3HD2 LEU 120 3HD2 LEU 120 3.747 -17.387 24.541 835 H ASP 121 H ASP 121 7.799 -14.336 24.587 836 HA ASP 121 HA ASP 121 10.445 -14.712 23.590 837 1HB ASP 121 1HB ASP 121 9.234 -14.703 26.369 838 2HB ASP 121 2HB ASP 121 10.972 -14.662 26.070 839 H TYR 122 H TYR 122 8.206 -16.939 25.191 840 HA TYR 122 HA TYR 122 10.134 -19.018 25.742 841 1HB TYR 122 1HB TYR 122 7.786 -18.577 26.704 842 2HB TYR 122 2HB TYR 122 7.171 -19.345 25.241 843 HD1 TYR 122 HD1 TYR 122 7.609 -21.721 24.779 844 HD2 TYR 122 HD2 TYR 122 8.978 -19.855 28.398 845 HE1 TYR 122 HE1 TYR 122 8.033 -23.955 25.770 846 HE2 TYR 122 HE2 TYR 122 9.402 -22.089 29.389 847 HH TYR 122 HH TYR 122 9.395 -24.956 27.525 848 H LEU 123 H LEU 123 8.686 -17.947 22.813 849 HA LEU 123 HA LEU 123 9.333 -20.571 21.506 850 1HB LEU 123 1HB LEU 123 7.258 -18.432 21.010 851 2HB LEU 123 2HB LEU 123 7.659 -19.625 19.775 852 HG LEU 123 HG LEU 123 7.212 -20.781 22.446 853 1HD1 LEU 123 1HD1 LEU 123 4.981 -19.353 20.969 854 2HD1 LEU 123 2HD1 LEU 123 4.714 -20.552 22.234 855 3HD1 LEU 123 3HD1 LEU 123 5.536 -19.039 22.613 856 1HD2 LEU 123 1HD2 LEU 123 7.391 -21.796 19.992 857 2HD2 LEU 123 2HD2 LEU 123 6.340 -22.532 21.202 858 3HD2 LEU 123 3HD2 LEU 123 5.660 -21.461 19.977 859 H GLN 124 H GLN 124 9.694 -17.055 21.350 860 HA GLN 124 HA GLN 124 10.849 -16.802 18.771 861 1HB GLN 124 1HB GLN 124 10.094 -15.015 20.405 862 2HB GLN 124 2HB GLN 124 11.597 -15.285 21.288 863 1HG GLN 124 1HG GLN 124 12.847 -14.812 19.152 864 2HG GLN 124 2HG GLN 124 11.310 -14.362 18.414 865 2HE2 GLN 124 2HE2 GLN 124 12.213 -12.124 18.190 866 1HE2 GLN 124 1HE2 GLN 124 12.232 -11.090 19.536 867 H ASN 125 H ASN 125 12.252 -17.875 21.828 868 HA ASN 125 HA ASN 125 15.019 -17.738 21.028 869 1HB ASN 125 1HB ASN 125 13.635 -18.167 23.325 870 2HB ASN 125 2HB ASN 125 14.105 -19.823 22.939 871 2HD2 ASN 125 2HD2 ASN 125 16.628 -19.081 21.604 872 1HD2 ASN 125 1HD2 ASN 125 17.686 -18.549 22.820 873 H ARG 126 H ARG 126 12.463 -20.099 20.517 874 HA ARG 126 HA ARG 126 14.002 -22.404 19.891 875 1HB ARG 126 1HB ARG 126 11.535 -22.260 20.219 876 2HB ARG 126 2HB ARG 126 11.401 -21.410 18.679 877 1HG ARG 126 1HG ARG 126 12.951 -23.775 18.253 878 2HG ARG 126 2HG ARG 126 11.492 -24.230 19.132 879 1HD ARG 126 1HD ARG 126 10.180 -22.854 17.421 880 2HD ARG 126 2HD ARG 126 11.678 -22.781 16.475 881 HE ARG 126 HE ARG 126 11.653 -25.278 16.444 882 1HH1 ARG 126 1HH1 ARG 126 9.872 -26.080 18.553 883 2HH1 ARG 126 2HH1 ARG 126 8.347 -26.315 17.767 884 1HH2 ARG 126 1HH2 ARG 126 9.225 -24.508 14.942 885 2HH2 ARG 126 2HH2 ARG 126 7.981 -25.426 15.723 886 H VAL 127 H VAL 127 13.461 -19.457 18.074 887 HA VAL 127 HA VAL 127 14.065 -20.440 15.444 888 HB VAL 127 HB VAL 127 14.509 -17.714 16.707 889 1HG1 VAL 127 1HG1 VAL 127 14.978 -18.760 14.057 890 2HG1 VAL 127 2HG1 VAL 127 13.697 -17.548 14.000 891 3HG1 VAL 127 3HG1 VAL 127 15.276 -17.133 14.669 892 1HG2 VAL 127 1HG2 VAL 127 12.130 -19.157 16.428 893 2HG2 VAL 127 2HG2 VAL 127 12.270 -17.416 16.675 894 3HG2 VAL 127 3HG2 VAL 127 12.143 -18.069 15.041 895 H ILE 128 H ILE 128 16.078 -20.365 14.295 896 HA ILE 128 HA ILE 128 18.451 -20.844 15.960 897 HB ILE 128 HB ILE 128 17.853 -20.851 12.989 898 1HG1 ILE 128 1HG1 ILE 128 18.591 -23.379 13.719 899 2HG1 ILE 128 2HG1 ILE 128 17.798 -22.820 15.193 900 1HG2 ILE 128 1HG2 ILE 128 20.399 -21.606 14.456 901 2HG2 ILE 128 2HG2 ILE 128 20.083 -21.941 12.754 902 3HG2 ILE 128 3HG2 ILE 128 20.209 -20.274 13.316 903 1HD1 ILE 128 1HD1 ILE 128 16.392 -22.164 12.669 904 2HD1 ILE 128 2HD1 ILE 128 16.460 -23.880 13.072 905 3HD1 ILE 128 3HD1 ILE 128 15.740 -22.736 14.205 No H/Q in entry = 905 Start of MODEL 4 1 H2 PRO 1 H2 PRO 1 -19.627 -14.044 13.787 2 H3 PRO 1 H3 PRO 1 -19.920 -15.696 14.069 3 HA PRO 1 HA PRO 1 -17.737 -16.041 14.049 4 1HB PRO 1 1HB PRO 1 -16.879 -15.439 11.520 5 2HB PRO 1 2HB PRO 1 -17.865 -16.867 11.893 6 1HG PRO 1 1HG PRO 1 -18.683 -14.233 10.760 7 2HG PRO 1 2HG PRO 1 -19.226 -15.861 10.330 8 1HD PRO 1 1HD PRO 1 -20.669 -14.169 11.899 9 2HD PRO 1 2HD PRO 1 -20.756 -15.937 12.038 10 H THR 2 H THR 2 -18.066 -13.701 15.346 11 HA THR 2 HA THR 2 -16.394 -11.607 14.068 12 HB THR 2 HB THR 2 -17.999 -11.786 16.638 13 HG1 THR 2 HG1 THR 2 -18.959 -11.619 14.413 14 1HG2 THR 2 1HG2 THR 2 -15.894 -10.221 16.525 15 2HG2 THR 2 2HG2 THR 2 -16.922 -9.231 15.489 16 3HG2 THR 2 3HG2 THR 2 -17.418 -9.587 17.144 17 H VAL 3 H VAL 3 -14.220 -12.147 14.253 18 HA VAL 3 HA VAL 3 -13.250 -13.099 16.926 19 HB VAL 3 HB VAL 3 -12.202 -13.362 14.092 20 1HG1 VAL 3 1HG1 VAL 3 -10.804 -13.474 16.638 21 2HG1 VAL 3 2HG1 VAL 3 -10.730 -15.027 15.803 22 3HG1 VAL 3 3HG1 VAL 3 -10.149 -13.566 15.002 23 1HG2 VAL 3 1HG2 VAL 3 -13.839 -14.991 15.879 24 2HG2 VAL 3 2HG2 VAL 3 -13.542 -15.182 14.152 25 3HG2 VAL 3 3HG2 VAL 3 -12.408 -15.857 15.322 26 H GLU 4 H GLU 4 -12.566 -11.279 18.046 27 HA GLU 4 HA GLU 4 -11.398 -8.973 16.656 28 1HB GLU 4 1HB GLU 4 -11.228 -8.126 19.001 29 2HB GLU 4 2HB GLU 4 -12.842 -8.722 18.619 30 1HG GLU 4 1HG GLU 4 -11.492 -10.980 19.533 31 2HG GLU 4 2HG GLU 4 -10.930 -9.693 20.597 32 H TYR 5 H TYR 5 -9.269 -8.927 16.073 33 HA TYR 5 HA TYR 5 -7.365 -10.808 17.361 34 1HB TYR 5 1HB TYR 5 -5.951 -10.141 15.430 35 2HB TYR 5 2HB TYR 5 -7.549 -10.677 14.910 36 HD1 TYR 5 HD1 TYR 5 -5.534 -7.635 15.699 37 HD2 TYR 5 HD2 TYR 5 -8.984 -9.231 13.700 38 HE1 TYR 5 HE1 TYR 5 -5.906 -5.447 14.592 39 HE2 TYR 5 HE2 TYR 5 -9.357 -7.043 12.594 40 HH TYR 5 HH TYR 5 -7.205 -4.270 13.239 41 H LEU 6 H LEU 6 -5.411 -10.082 18.319 42 HA LEU 6 HA LEU 6 -5.103 -7.143 18.785 43 1HB LEU 6 1HB LEU 6 -6.177 -9.005 20.596 44 2HB LEU 6 2HB LEU 6 -4.517 -8.762 21.134 45 HG LEU 6 HG LEU 6 -6.559 -6.577 20.618 46 1HD1 LEU 6 1HD1 LEU 6 -6.525 -8.172 22.765 47 2HD1 LEU 6 2HD1 LEU 6 -5.247 -7.061 23.258 48 3HD1 LEU 6 3HD1 LEU 6 -6.862 -6.446 22.904 49 1HD2 LEU 6 1HD2 LEU 6 -4.131 -6.034 20.083 50 2HD2 LEU 6 2HD2 LEU 6 -4.869 -5.023 21.326 51 3HD2 LEU 6 3HD2 LEU 6 -3.775 -6.328 21.786 52 H ASN 7 H ASN 7 -2.976 -6.603 18.376 53 HA ASN 7 HA ASN 7 -0.974 -8.475 17.636 54 1HB ASN 7 1HB ASN 7 0.531 -6.496 17.926 55 2HB ASN 7 2HB ASN 7 -0.940 -6.109 17.037 56 2HD2 ASN 7 2HD2 ASN 7 0.211 -3.935 18.169 57 1HD2 ASN 7 1HD2 ASN 7 -0.606 -3.449 19.574 58 H TYR 8 H TYR 8 0.139 -9.890 18.897 59 HA TYR 8 HA TYR 8 -0.060 -10.125 21.706 60 1HB TYR 8 1HB TYR 8 0.704 -11.959 20.396 61 2HB TYR 8 2HB TYR 8 1.957 -10.986 19.626 62 HD1 TYR 8 HD1 TYR 8 0.971 -12.767 22.705 63 HD2 TYR 8 HD2 TYR 8 4.046 -10.484 20.759 64 HE1 TYR 8 HE1 TYR 8 2.585 -13.444 24.462 65 HE2 TYR 8 HE2 TYR 8 5.660 -11.160 22.517 66 HH TYR 8 HH TYR 8 5.964 -12.298 24.391 67 H GLU 9 H GLU 9 1.768 -7.896 19.806 68 HA GLU 9 HA GLU 9 3.948 -7.364 21.603 69 1HB GLU 9 1HB GLU 9 2.934 -6.507 19.104 70 2HB GLU 9 2HB GLU 9 3.054 -5.058 20.103 71 1HG GLU 9 1HG GLU 9 5.410 -5.859 20.717 72 2HG GLU 9 2HG GLU 9 5.247 -7.017 19.397 73 H THR 10 H THR 10 0.771 -5.766 21.172 74 HA THR 10 HA THR 10 1.086 -3.777 23.187 75 HB THR 10 HB THR 10 -1.331 -5.266 22.117 76 HG1 THR 10 HG1 THR 10 0.177 -3.050 21.371 77 1HG2 THR 10 1HG2 THR 10 -1.116 -2.807 23.864 78 2HG2 THR 10 2HG2 THR 10 -2.559 -3.187 22.921 79 3HG2 THR 10 3HG2 THR 10 -2.017 -4.287 24.190 80 H LEU 11 H LEU 11 0.251 -7.191 23.385 81 HA LEU 11 HA LEU 11 -0.749 -7.152 26.101 82 1HB LEU 11 1HB LEU 11 -1.275 -8.932 24.528 83 2HB LEU 11 2HB LEU 11 0.437 -9.297 24.312 84 HG LEU 11 HG LEU 11 0.634 -10.071 26.586 85 1HD1 LEU 11 1HD1 LEU 11 -0.847 -8.344 27.589 86 2HD1 LEU 11 2HD1 LEU 11 -2.249 -9.195 26.940 87 3HD1 LEU 11 3HD1 LEU 11 -1.239 -9.964 28.166 88 1HD2 LEU 11 1HD2 LEU 11 -0.474 -11.575 24.852 89 2HD2 LEU 11 2HD2 LEU 11 -0.806 -11.988 26.535 90 3HD2 LEU 11 3HD2 LEU 11 -2.017 -11.132 25.581 91 H ASP 12 H ASP 12 2.413 -8.085 24.686 92 HA ASP 12 HA ASP 12 3.644 -8.401 27.325 93 1HB ASP 12 1HB ASP 12 4.175 -8.972 24.540 94 2HB ASP 12 2HB ASP 12 5.583 -8.203 25.273 95 H ASP 13 H ASP 13 3.801 -6.012 24.676 96 HA ASP 13 HA ASP 13 5.805 -4.304 25.680 97 1HB ASP 13 1HB ASP 13 4.674 -4.186 23.466 98 2HB ASP 13 2HB ASP 13 3.212 -3.602 24.262 99 H GLN 14 H GLN 14 2.301 -4.297 26.393 100 HA GLN 14 HA GLN 14 2.618 -2.126 28.366 101 1HB GLN 14 1HB GLN 14 0.228 -3.857 27.660 102 2HB GLN 14 2HB GLN 14 0.193 -2.287 28.462 103 1HG GLN 14 1HG GLN 14 1.680 -2.081 25.999 104 2HG GLN 14 2HG GLN 14 0.099 -2.797 25.677 105 2HE2 GLN 14 2HE2 GLN 14 -0.170 -0.544 24.562 106 1HE2 GLN 14 1HE2 GLN 14 -0.748 0.720 25.534 107 H GLY 15 H GLY 15 2.304 -5.630 28.305 108 1HA GLY 15 1HA GLY 15 3.015 -5.763 31.143 109 2HA GLY 15 2HA GLY 15 2.788 -7.142 30.067 110 H TRP 16 H TRP 16 0.163 -6.428 29.141 111 HA TRP 16 HA TRP 16 -1.551 -6.200 31.538 112 1HB TRP 16 1HB TRP 16 -1.711 -5.884 28.636 113 2HB TRP 16 2HB TRP 16 -3.104 -6.750 29.286 114 HD1 TRP 16 HD1 TRP 16 -4.697 -4.657 28.892 115 HE1 TRP 16 HE1 TRP 16 -5.001 -2.459 30.205 116 HE3 TRP 16 HE3 TRP 16 -0.434 -4.709 31.707 117 HZ2 TRP 16 HZ2 TRP 16 -3.621 -0.927 32.183 118 HZ3 TRP 16 HZ3 TRP 16 0.045 -2.867 33.295 119 HH2 TRP 16 HH2 TRP 16 -1.542 -0.978 33.537 120 H ASP 17 H ASP 17 -3.549 -7.850 31.382 121 HA ASP 17 HA ASP 17 -2.373 -10.553 31.605 122 1HB ASP 17 1HB ASP 17 -4.684 -9.028 32.589 123 2HB ASP 17 2HB ASP 17 -5.083 -10.692 32.163 124 H MET 18 H MET 18 -4.334 -12.245 30.880 125 HA MET 18 HA MET 18 -4.263 -12.196 27.975 126 1HB MET 18 1HB MET 18 -5.514 -13.930 30.112 127 2HB MET 18 2HB MET 18 -5.735 -14.272 28.396 128 1HG MET 18 1HG MET 18 -3.176 -14.160 28.209 129 2HG MET 18 2HG MET 18 -3.154 -14.222 29.971 130 1HE MET 18 1HE MET 18 -1.574 -15.816 29.027 131 2HE MET 18 2HE MET 18 -1.948 -17.278 29.949 132 3HE MET 18 3HE MET 18 -1.933 -17.323 28.188 133 H ASP 19 H ASP 19 -6.967 -12.092 30.337 134 HA ASP 19 HA ASP 19 -8.507 -10.445 28.374 135 1HB ASP 19 1HB ASP 19 -8.854 -13.164 28.756 136 2HB ASP 19 2HB ASP 19 -10.072 -12.466 29.823 137 H ASP 20 H ASP 20 -7.220 -10.503 31.341 138 HA ASP 20 HA ASP 20 -9.490 -9.761 33.016 139 1HB ASP 20 1HB ASP 20 -6.478 -9.502 33.288 140 2HB ASP 20 2HB ASP 20 -7.619 -9.187 34.595 141 H ASP 21 H ASP 21 -6.785 -7.950 31.517 142 HA ASP 21 HA ASP 21 -7.877 -5.365 32.342 143 1HB ASP 21 1HB ASP 21 -5.642 -6.266 30.504 144 2HB ASP 21 2HB ASP 21 -5.954 -4.576 30.900 145 H ASP 22 H ASP 22 -9.040 -7.461 30.137 146 HA ASP 22 HA ASP 22 -10.268 -7.239 28.122 147 1HB ASP 22 1HB ASP 22 -10.636 -4.542 29.467 148 2HB ASP 22 2HB ASP 22 -11.652 -5.151 28.160 149 H LEU 23 H LEU 23 -7.612 -6.937 27.573 150 HA LEU 23 HA LEU 23 -6.520 -4.610 26.548 151 1HB LEU 23 1HB LEU 23 -6.557 -7.406 25.369 152 2HB LEU 23 2HB LEU 23 -5.403 -6.152 24.915 153 HG LEU 23 HG LEU 23 -5.305 -6.167 27.699 154 1HD1 LEU 23 1HD1 LEU 23 -6.401 -8.645 26.865 155 2HD1 LEU 23 2HD1 LEU 23 -4.722 -8.961 27.299 156 3HD1 LEU 23 3HD1 LEU 23 -5.810 -8.220 28.473 157 1HD2 LEU 23 1HD2 LEU 23 -3.419 -5.931 26.106 158 2HD2 LEU 23 2HD2 LEU 23 -3.070 -7.131 27.350 159 3HD2 LEU 23 3HD2 LEU 23 -3.536 -7.651 25.731 160 H PHE 24 H PHE 24 -8.883 -6.717 24.888 161 HA PHE 24 HA PHE 24 -8.975 -5.375 22.395 162 1HB PHE 24 1HB PHE 24 -11.027 -6.880 24.037 163 2HB PHE 24 2HB PHE 24 -11.317 -6.384 22.370 164 HD1 PHE 24 HD1 PHE 24 -9.299 -6.970 20.704 165 HD2 PHE 24 HD2 PHE 24 -10.137 -9.002 24.394 166 HE1 PHE 24 HE1 PHE 24 -8.047 -8.952 19.896 167 HE2 PHE 24 HE2 PHE 24 -8.884 -10.984 23.587 168 HZ PHE 24 HZ PHE 24 -7.839 -10.959 21.338 169 H GLU 25 H GLU 25 -10.351 -4.501 25.502 170 HA GLU 25 HA GLU 25 -12.086 -2.416 24.325 171 1HB GLU 25 1HB GLU 25 -12.423 -3.995 26.415 172 2HB GLU 25 2HB GLU 25 -11.488 -2.756 27.250 173 1HG GLU 25 1HG GLU 25 -13.573 -1.624 25.534 174 2HG GLU 25 2HG GLU 25 -14.226 -2.676 26.788 175 H LYS 26 H LYS 26 -9.195 -2.590 26.428 176 HA LYS 26 HA LYS 26 -8.848 0.237 26.737 177 1HB LYS 26 1HB LYS 26 -6.921 -2.105 26.800 178 2HB LYS 26 2HB LYS 26 -6.532 -0.486 27.384 179 1HG LYS 26 1HG LYS 26 -8.980 -1.090 28.594 180 2HG LYS 26 2HG LYS 26 -8.066 -2.596 28.683 181 1HD LYS 26 1HD LYS 26 -7.302 -1.532 30.601 182 2HD LYS 26 2HD LYS 26 -6.105 -0.973 29.432 183 1HE LYS 26 1HE LYS 26 -6.706 1.113 30.179 184 2HE LYS 26 2HE LYS 26 -8.112 0.895 29.121 185 1HZ LYS 26 1HZ LYS 26 -9.073 -0.406 31.088 186 2HZ LYS 26 2HZ LYS 26 -7.878 0.357 32.023 187 3HZ LYS 26 3HZ LYS 26 -9.044 1.288 31.211 188 H ALA 27 H ALA 27 -7.786 -2.042 24.252 189 HA ALA 27 HA ALA 27 -5.883 -0.387 22.918 190 1HB ALA 27 1HB ALA 27 -7.243 -1.988 21.025 191 2HB ALA 27 2HB ALA 27 -7.329 -2.867 22.552 192 3HB ALA 27 3HB ALA 27 -5.763 -2.396 21.892 193 H ALA 28 H ALA 28 -9.411 -0.473 22.801 194 HA ALA 28 HA ALA 28 -9.770 1.072 20.408 195 1HB ALA 28 1HB ALA 28 -11.306 -0.193 22.407 196 2HB ALA 28 2HB ALA 28 -11.910 0.563 20.934 197 3HB ALA 28 3HB ALA 28 -11.806 1.497 22.426 198 H ASP 29 H ASP 29 -9.150 1.945 23.762 199 HA ASP 29 HA ASP 29 -9.672 4.806 23.318 200 1HB ASP 29 1HB ASP 29 -8.745 3.025 25.563 201 2HB ASP 29 2HB ASP 29 -8.614 4.777 25.717 202 H ALA 30 H ALA 30 -6.977 2.612 23.112 203 HA ALA 30 HA ALA 30 -4.919 4.689 23.374 204 1HB ALA 30 1HB ALA 30 -5.013 2.010 23.761 205 2HB ALA 30 2HB ALA 30 -4.357 2.049 22.125 206 3HB ALA 30 3HB ALA 30 -3.510 2.872 23.434 207 H GLY 31 H GLY 31 -6.686 3.092 20.780 208 1HA GLY 31 1HA GLY 31 -5.826 5.115 18.873 209 2HA GLY 31 2HA GLY 31 -6.874 3.742 18.519 210 H LEU 32 H LEU 32 -5.482 1.545 18.904 211 HA LEU 32 HA LEU 32 -2.695 1.743 18.007 212 1HB LEU 32 1HB LEU 32 -4.578 -0.222 19.089 213 2HB LEU 32 2HB LEU 32 -3.550 -0.902 17.828 214 HG LEU 32 HG LEU 32 -2.594 -1.034 20.178 215 1HD1 LEU 32 1HD1 LEU 32 -1.076 0.555 18.085 216 2HD1 LEU 32 2HD1 LEU 32 -0.337 -0.267 19.459 217 3HD1 LEU 32 3HD1 LEU 32 -1.152 -1.203 18.205 218 1HD2 LEU 32 1HD2 LEU 32 -3.331 1.700 20.158 219 2HD2 LEU 32 2HD2 LEU 32 -2.488 0.828 21.439 220 3HD2 LEU 32 3HD2 LEU 32 -1.568 1.662 20.186 221 H ASP 33 H ASP 33 -2.229 -0.045 16.135 222 HA ASP 33 HA ASP 33 -3.454 1.040 13.716 223 1HB ASP 33 1HB ASP 33 -1.377 -1.032 14.420 224 2HB ASP 33 2HB ASP 33 -1.911 -0.825 12.752 225 H GLY 34 H GLY 34 -4.252 -0.599 12.005 226 1HA GLY 34 1HA GLY 34 -6.139 -1.948 11.493 227 2HA GLY 34 2HA GLY 34 -6.373 -2.222 13.220 228 H GLU 35 H GLU 35 -3.261 -2.724 11.692 229 HA GLU 35 HA GLU 35 -3.599 -5.576 11.227 230 1HB GLU 35 1HB GLU 35 -1.133 -3.825 11.506 231 2HB GLU 35 2HB GLU 35 -1.171 -5.433 10.786 232 1HG GLU 35 1HG GLU 35 -2.501 -4.698 8.957 233 2HG GLU 35 2HG GLU 35 -2.924 -3.192 9.769 234 H ASP 36 H ASP 36 -3.446 -3.852 14.060 235 HA ASP 36 HA ASP 36 -2.026 -6.062 15.520 236 1HB ASP 36 1HB ASP 36 -2.309 -3.081 15.936 237 2HB ASP 36 2HB ASP 36 -1.804 -4.141 17.249 238 H TYR 37 H TYR 37 -4.622 -3.618 15.915 239 HA TYR 37 HA TYR 37 -6.141 -5.647 17.520 240 1HB TYR 37 1HB TYR 37 -5.358 -4.114 19.113 241 2HB TYR 37 2HB TYR 37 -5.461 -2.754 17.996 242 HD1 TYR 37 HD1 TYR 37 -7.716 -5.324 19.561 243 HD2 TYR 37 HD2 TYR 37 -7.216 -1.255 18.278 244 HE1 TYR 37 HE1 TYR 37 -9.971 -4.771 20.433 245 HE2 TYR 37 HE2 TYR 37 -9.470 -0.702 19.151 246 HH TYR 37 HH TYR 37 -11.360 -3.059 20.982 247 H GLY 38 H GLY 38 -8.357 -5.746 17.064 248 1HA GLY 38 1HA GLY 38 -9.239 -4.490 14.571 249 2HA GLY 38 2HA GLY 38 -10.088 -3.902 16.001 250 H THR 39 H THR 39 -11.829 -5.032 14.477 251 HA THR 39 HA THR 39 -12.339 -7.699 15.693 252 HB THR 39 HB THR 39 -14.407 -6.581 13.971 253 HG1 THR 39 HG1 THR 39 -14.645 -4.813 15.678 254 1HG2 THR 39 1HG2 THR 39 -14.180 -7.126 16.942 255 2HG2 THR 39 2HG2 THR 39 -15.679 -6.687 16.122 256 3HG2 THR 39 3HG2 THR 39 -14.865 -8.201 15.723 257 H MET 40 H MET 40 -11.962 -9.516 14.486 258 HA MET 40 HA MET 40 -11.465 -9.235 11.573 259 1HB MET 40 1HB MET 40 -10.229 -10.597 13.597 260 2HB MET 40 2HB MET 40 -11.255 -11.861 12.922 261 1HG MET 40 1HG MET 40 -10.351 -11.096 10.622 262 2HG MET 40 2HG MET 40 -9.103 -10.256 11.543 263 1HE MET 40 1HE MET 40 -9.620 -12.650 9.453 264 2HE MET 40 2HE MET 40 -8.696 -14.098 9.847 265 3HE MET 40 3HE MET 40 -10.367 -13.955 10.385 266 H GLU 41 H GLU 41 -13.870 -8.872 11.189 267 HA GLU 41 HA GLU 41 -15.761 -11.009 11.726 268 1HB GLU 41 1HB GLU 41 -15.824 -8.350 10.987 269 2HB GLU 41 2HB GLU 41 -16.293 -9.161 9.492 270 1HG GLU 41 1HG GLU 41 -17.562 -10.157 11.992 271 2HG GLU 41 2HG GLU 41 -18.064 -8.558 11.439 272 H VAL 42 H VAL 42 -15.568 -12.971 10.699 273 HA VAL 42 HA VAL 42 -14.948 -12.950 7.766 274 HB VAL 42 HB VAL 42 -13.441 -14.807 8.130 275 1HG1 VAL 42 1HG1 VAL 42 -12.883 -12.307 8.914 276 2HG1 VAL 42 2HG1 VAL 42 -12.717 -13.109 10.476 277 3HG1 VAL 42 3HG1 VAL 42 -11.724 -13.620 9.111 278 1HG2 VAL 42 1HG2 VAL 42 -14.461 -14.704 10.985 279 2HG2 VAL 42 2HG2 VAL 42 -14.683 -16.018 9.829 280 3HG2 VAL 42 3HG2 VAL 42 -13.077 -15.667 10.467 281 H ALA 43 H ALA 43 -15.869 -14.784 6.612 282 HA ALA 43 HA ALA 43 -18.508 -15.527 7.391 283 1HB ALA 43 1HB ALA 43 -18.201 -17.179 5.503 284 2HB ALA 43 2HB ALA 43 -16.497 -16.725 5.459 285 3HB ALA 43 3HB ALA 43 -17.738 -15.528 5.087 286 H GLU 44 H GLU 44 -19.307 -17.506 8.258 287 HA GLU 44 HA GLU 44 -17.726 -18.793 10.268 288 1HB GLU 44 1HB GLU 44 -20.313 -18.530 9.839 289 2HB GLU 44 2HB GLU 44 -20.127 -20.048 8.962 290 1HG GLU 44 1HG GLU 44 -19.531 -21.235 10.876 291 2HG GLU 44 2HG GLU 44 -18.948 -19.795 11.711 292 H GLY 45 H GLY 45 -16.100 -20.243 9.920 293 1HA GLY 45 1HA GLY 45 -16.450 -22.304 7.814 294 2HA GLY 45 2HA GLY 45 -15.282 -22.374 9.133 295 H GLU 46 H GLU 46 -14.851 -19.346 8.320 296 HA GLU 46 HA GLU 46 -13.317 -19.721 5.809 297 1HB GLU 46 1HB GLU 46 -14.898 -17.764 6.527 298 2HB GLU 46 2HB GLU 46 -13.512 -17.212 7.468 299 1HG GLU 46 1HG GLU 46 -13.178 -16.113 5.430 300 2HG GLU 46 2HG GLU 46 -12.196 -17.563 5.223 301 H TYR 47 H TYR 47 -11.069 -19.736 5.747 302 HA TYR 47 HA TYR 47 -9.556 -20.361 8.102 303 1HB TYR 47 1HB TYR 47 -9.059 -19.695 5.227 304 2HB TYR 47 2HB TYR 47 -7.678 -19.671 6.324 305 HD1 TYR 47 HD1 TYR 47 -10.742 -21.824 6.018 306 HD2 TYR 47 HD2 TYR 47 -6.454 -21.649 6.195 307 HE1 TYR 47 HE1 TYR 47 -10.637 -24.300 5.930 308 HE2 TYR 47 HE2 TYR 47 -6.349 -24.125 6.108 309 HH TYR 47 HH TYR 47 -9.212 -26.095 6.397 310 H ILE 48 H ILE 48 -9.072 -18.902 9.700 311 HA ILE 48 HA ILE 48 -9.426 -16.161 9.765 312 HB ILE 48 HB ILE 48 -7.347 -17.971 11.006 313 1HG1 ILE 48 1HG1 ILE 48 -9.785 -16.569 12.145 314 2HG1 ILE 48 2HG1 ILE 48 -9.758 -18.249 11.608 315 1HG2 ILE 48 1HG2 ILE 48 -7.480 -15.043 10.998 316 2HG2 ILE 48 2HG2 ILE 48 -7.523 -15.725 12.625 317 3HG2 ILE 48 3HG2 ILE 48 -6.181 -16.105 11.546 318 1HD1 ILE 48 1HD1 ILE 48 -7.524 -17.912 13.323 319 2HD1 ILE 48 2HD1 ILE 48 -8.896 -17.151 14.129 320 3HD1 ILE 48 3HD1 ILE 48 -8.989 -18.843 13.640 321 H LEU 49 H LEU 49 -6.184 -17.595 9.178 322 HA LEU 49 HA LEU 49 -4.847 -15.275 8.373 323 1HB LEU 49 1HB LEU 49 -3.587 -17.234 8.693 324 2HB LEU 49 2HB LEU 49 -4.649 -18.198 7.666 325 HG LEU 49 HG LEU 49 -3.831 -17.046 5.674 326 1HD1 LEU 49 1HD1 LEU 49 -3.442 -14.874 7.056 327 2HD1 LEU 49 2HD1 LEU 49 -1.851 -15.558 7.394 328 3HD1 LEU 49 3HD1 LEU 49 -2.333 -15.227 5.731 329 1HD2 LEU 49 1HD2 LEU 49 -1.872 -18.258 7.588 330 2HD2 LEU 49 2HD2 LEU 49 -2.433 -18.862 6.029 331 3HD2 LEU 49 3HD2 LEU 49 -1.256 -17.550 6.096 332 H GLU 50 H GLU 50 -6.844 -17.448 6.351 333 HA GLU 50 HA GLU 50 -6.335 -15.935 3.907 334 1HB GLU 50 1HB GLU 50 -7.936 -18.263 4.835 335 2HB GLU 50 2HB GLU 50 -8.517 -17.445 3.383 336 1HG GLU 50 1HG GLU 50 -5.687 -17.689 3.152 337 2HG GLU 50 2HG GLU 50 -6.312 -19.263 3.643 338 H ALA 51 H ALA 51 -8.924 -16.051 6.339 339 HA ALA 51 HA ALA 51 -10.779 -14.357 4.941 340 1HB ALA 51 1HB ALA 51 -10.950 -15.943 7.050 341 2HB ALA 51 2HB ALA 51 -10.546 -14.470 7.932 342 3HB ALA 51 3HB ALA 51 -11.997 -14.528 6.929 343 H ALA 52 H ALA 52 -8.292 -13.702 7.387 344 HA ALA 52 HA ALA 52 -8.778 -10.813 7.366 345 1HB ALA 52 1HB ALA 52 -6.389 -11.174 8.605 346 2HB ALA 52 2HB ALA 52 -7.039 -12.810 8.714 347 3HB ALA 52 3HB ALA 52 -7.936 -11.457 9.404 348 H GLU 53 H GLU 53 -6.735 -13.082 5.661 349 HA GLU 53 HA GLU 53 -4.699 -11.281 4.755 350 1HB GLU 53 1HB GLU 53 -4.318 -13.610 4.555 351 2HB GLU 53 2HB GLU 53 -5.896 -13.887 3.820 352 1HG GLU 53 1HG GLU 53 -5.193 -13.219 1.730 353 2HG GLU 53 2HG GLU 53 -4.017 -12.075 2.375 354 H ALA 54 H ALA 54 -7.820 -12.244 3.376 355 HA ALA 54 HA ALA 54 -7.547 -10.599 0.993 356 1HB ALA 54 1HB ALA 54 -9.181 -12.077 0.483 357 2HB ALA 54 2HB ALA 54 -9.352 -12.530 2.178 358 3HB ALA 54 3HB ALA 54 -10.262 -11.163 1.534 359 H GLN 55 H GLN 55 -7.971 -9.771 4.196 360 HA GLN 55 HA GLN 55 -9.794 -7.479 3.634 361 1HB GLN 55 1HB GLN 55 -9.341 -9.278 5.786 362 2HB GLN 55 2HB GLN 55 -8.848 -7.682 6.350 363 1HG GLN 55 1HG GLN 55 -11.394 -7.825 4.817 364 2HG GLN 55 2HG GLN 55 -11.409 -8.520 6.438 365 2HE2 GLN 55 2HE2 GLN 55 -12.034 -7.001 7.973 366 1HE2 GLN 55 1HE2 GLN 55 -11.687 -5.340 7.906 367 H GLY 56 H GLY 56 -6.452 -8.269 4.323 368 1HA GLY 56 1HA GLY 56 -5.828 -5.341 4.390 369 2HA GLY 56 2HA GLY 56 -4.834 -6.501 3.509 370 H TYR 57 H TYR 57 -5.668 -8.269 6.058 371 HA TYR 57 HA TYR 57 -3.871 -7.078 8.081 372 1HB TYR 57 1HB TYR 57 -5.526 -9.617 7.938 373 2HB TYR 57 2HB TYR 57 -4.645 -9.090 9.370 374 HD1 TYR 57 HD1 TYR 57 -5.177 -6.047 8.847 375 HD2 TYR 57 HD2 TYR 57 -7.715 -9.509 8.971 376 HE1 TYR 57 HE1 TYR 57 -7.098 -4.617 9.487 377 HE2 TYR 57 HE2 TYR 57 -9.634 -8.083 9.612 378 HH TYR 57 HH TYR 57 -10.008 -5.882 10.688 379 H ASP 58 H ASP 58 -2.076 -8.419 8.982 380 HA ASP 58 HA ASP 58 -0.901 -10.278 6.939 381 1HB ASP 58 1HB ASP 58 1.222 -9.219 7.322 382 2HB ASP 58 2HB ASP 58 0.053 -7.916 7.111 383 H TRP 59 H TRP 59 -0.139 -12.206 7.773 384 HA TRP 59 HA TRP 59 0.188 -12.445 10.742 385 1HB TRP 59 1HB TRP 59 -1.140 -14.519 8.976 386 2HB TRP 59 2HB TRP 59 -1.149 -14.436 10.737 387 HD1 TRP 59 HD1 TRP 59 -2.306 -12.215 7.786 388 HE1 TRP 59 HE1 TRP 59 -4.530 -11.101 8.453 389 HE3 TRP 59 HE3 TRP 59 -2.825 -14.038 12.528 390 HZ2 TRP 59 HZ2 TRP 59 -6.305 -11.002 10.689 391 HZ3 TRP 59 HZ3 TRP 59 -4.796 -13.421 13.901 392 HH2 TRP 59 HH2 TRP 59 -6.534 -11.906 12.989 393 HA PRO 60 HA PRO 60 3.896 -14.497 9.528 394 1HB PRO 60 1HB PRO 60 4.367 -15.944 11.805 395 2HB PRO 60 2HB PRO 60 4.632 -14.194 11.701 396 1HG PRO 60 1HG PRO 60 2.352 -15.704 12.884 397 2HG PRO 60 2HG PRO 60 3.147 -14.233 13.458 398 1HD PRO 60 1HD PRO 60 0.752 -14.252 12.134 399 2HD PRO 60 2HD PRO 60 1.878 -12.877 12.115 400 H PHE 61 H PHE 61 4.214 -16.360 8.333 401 HA PHE 61 HA PHE 61 2.959 -18.905 9.130 402 1HB PHE 61 1HB PHE 61 1.563 -19.056 7.157 403 2HB PHE 61 2HB PHE 61 1.216 -17.513 7.937 404 HD1 PHE 61 HD1 PHE 61 3.308 -19.075 5.257 405 HD2 PHE 61 HD2 PHE 61 1.485 -15.489 6.764 406 HE1 PHE 61 HE1 PHE 61 3.940 -17.879 3.178 407 HE2 PHE 61 HE2 PHE 61 2.116 -14.294 4.685 408 HZ PHE 61 HZ PHE 61 3.343 -15.489 2.892 409 H SER 62 H SER 62 3.948 -20.680 8.058 410 HA SER 62 HA SER 62 5.990 -20.065 5.977 411 1HB SER 62 1HB SER 62 6.409 -21.368 8.679 412 2HB SER 62 2HB SER 62 7.589 -21.473 7.372 413 HG SER 62 HG SER 62 8.063 -19.722 8.709 414 H CYS 63 H CYS 63 4.854 -22.792 8.014 415 HA CYS 63 HA CYS 63 5.230 -24.706 5.862 416 1HB CYS 63 1HB CYS 63 4.836 -26.238 7.560 417 2HB CYS 63 2HB CYS 63 5.323 -24.836 8.504 418 H ARG 64 H ARG 64 2.348 -23.158 7.322 419 HA ARG 64 HA ARG 64 0.133 -22.990 6.510 420 1HB ARG 64 1HB ARG 64 1.523 -23.623 3.894 421 2HB ARG 64 2HB ARG 64 0.007 -22.744 4.098 422 1HG ARG 64 1HG ARG 64 1.774 -21.373 5.747 423 2HG ARG 64 2HG ARG 64 2.761 -21.783 4.343 424 1HD ARG 64 1HD ARG 64 0.136 -20.896 3.486 425 2HD ARG 64 2HD ARG 64 0.899 -19.675 4.522 426 HE ARG 64 HE ARG 64 2.985 -20.396 2.928 427 1HH1 ARG 64 1HH1 ARG 64 -0.245 -19.332 2.392 428 2HH1 ARG 64 2HH1 ARG 64 0.042 -18.855 0.752 429 1HH2 ARG 64 1HH2 ARG 64 3.341 -19.924 0.736 430 2HH2 ARG 64 2HH2 ARG 64 2.071 -19.190 -0.186 431 H ALA 65 H ALA 65 1.139 -25.699 7.307 432 HA ALA 65 HA ALA 65 -0.906 -27.316 5.876 433 1HB ALA 65 1HB ALA 65 1.461 -28.835 6.617 434 2HB ALA 65 2HB ALA 65 0.698 -28.673 5.036 435 3HB ALA 65 3HB ALA 65 1.884 -27.481 5.568 436 H GLY 66 H GLY 66 0.134 -26.112 8.784 437 1HA GLY 66 1HA GLY 66 -1.421 -28.087 10.288 438 2HA GLY 66 2HA GLY 66 -0.699 -26.619 10.945 439 H ALA 67 H ALA 67 2.003 -27.122 10.047 440 HA ALA 67 HA ALA 67 2.669 -29.474 11.788 441 1HB ALA 67 1HB ALA 67 3.679 -30.404 10.003 442 2HB ALA 67 2HB ALA 67 3.057 -29.085 9.011 443 3HB ALA 67 3HB ALA 67 4.650 -28.953 9.758 444 H CYS 68 H CYS 68 2.849 -26.195 11.745 445 HA CYS 68 HA CYS 68 5.363 -26.248 13.337 446 1HB CYS 68 1HB CYS 68 6.500 -24.815 11.936 447 2HB CYS 68 2HB CYS 68 5.474 -25.598 10.740 448 H ALA 69 H ALA 69 5.650 -23.799 14.241 449 HA ALA 69 HA ALA 69 2.937 -22.929 15.193 450 1HB ALA 69 1HB ALA 69 5.561 -23.434 16.566 451 2HB ALA 69 2HB ALA 69 4.422 -22.284 17.268 452 3HB ALA 69 3HB ALA 69 3.945 -23.966 17.031 453 H ASN 70 H ASN 70 5.183 -21.932 13.132 454 HA ASN 70 HA ASN 70 6.135 -19.397 13.962 455 1HB ASN 70 1HB ASN 70 5.383 -20.705 11.358 456 2HB ASN 70 2HB ASN 70 5.875 -19.011 11.365 457 2HD2 ASN 70 2HD2 ASN 70 8.110 -18.554 11.620 458 1HD2 ASN 70 1HD2 ASN 70 9.291 -19.750 11.847 459 H CYS 71 H CYS 71 3.022 -20.331 12.510 460 HA CYS 71 HA CYS 71 2.038 -17.545 12.565 461 1HB CYS 71 1HB CYS 71 0.213 -18.473 11.323 462 2HB CYS 71 2HB CYS 71 1.635 -19.359 10.774 463 H ALA 72 H ALA 72 2.595 -19.610 14.954 464 HA ALA 72 HA ALA 72 0.365 -20.313 16.395 465 1HB ALA 72 1HB ALA 72 2.636 -20.657 17.165 466 2HB ALA 72 2HB ALA 72 1.784 -19.732 18.402 467 3HB ALA 72 3HB ALA 72 2.899 -18.920 17.304 468 H SER 73 H SER 73 -1.005 -19.262 17.929 469 HA SER 73 HA SER 73 -1.086 -16.268 17.837 470 1HB SER 73 1HB SER 73 -2.664 -17.559 16.239 471 2HB SER 73 2HB SER 73 -3.523 -18.049 17.701 472 HG SER 73 HG SER 73 -4.279 -16.076 16.656 473 H ILE 74 H ILE 74 -3.355 -15.995 19.435 474 HA ILE 74 HA ILE 74 -2.909 -17.603 21.889 475 HB ILE 74 HB ILE 74 -2.330 -14.673 21.501 476 1HG1 ILE 74 1HG1 ILE 74 -0.447 -16.200 21.364 477 2HG1 ILE 74 2HG1 ILE 74 -0.340 -15.316 22.885 478 1HG2 ILE 74 1HG2 ILE 74 -3.702 -15.887 23.762 479 2HG2 ILE 74 2HG2 ILE 74 -2.154 -15.196 24.248 480 3HG2 ILE 74 3HG2 ILE 74 -3.359 -14.185 23.451 481 1HD1 ILE 74 1HD1 ILE 74 -1.656 -17.311 23.895 482 2HD1 ILE 74 2HD1 ILE 74 -1.194 -18.174 22.427 483 3HD1 ILE 74 3HD1 ILE 74 0.048 -17.559 23.517 484 H VAL 75 H VAL 75 -5.146 -18.202 21.028 485 HA VAL 75 HA VAL 75 -7.355 -16.484 20.808 486 HB VAL 75 HB VAL 75 -7.277 -18.928 20.348 487 1HG1 VAL 75 1HG1 VAL 75 -6.262 -19.050 22.949 488 2HG1 VAL 75 2HG1 VAL 75 -7.876 -19.752 23.080 489 3HG1 VAL 75 3HG1 VAL 75 -6.711 -20.427 21.941 490 1HG2 VAL 75 1HG2 VAL 75 -9.442 -17.675 20.745 491 2HG2 VAL 75 2HG2 VAL 75 -9.529 -19.407 21.065 492 3HG2 VAL 75 3HG2 VAL 75 -9.402 -18.269 22.406 493 H LYS 76 H LYS 76 -8.016 -14.957 22.271 494 HA LYS 76 HA LYS 76 -7.362 -15.166 25.117 495 1HB LYS 76 1HB LYS 76 -8.071 -13.195 23.185 496 2HB LYS 76 2HB LYS 76 -9.268 -13.114 24.477 497 1HG LYS 76 1HG LYS 76 -7.701 -11.823 25.517 498 2HG LYS 76 2HG LYS 76 -6.966 -13.374 25.924 499 1HD LYS 76 1HD LYS 76 -5.145 -12.818 24.724 500 2HD LYS 76 2HD LYS 76 -6.145 -12.693 23.276 501 1HE LYS 76 1HE LYS 76 -5.779 -10.454 23.289 502 2HE LYS 76 2HE LYS 76 -6.654 -10.359 24.829 503 1HZ LYS 76 1HZ LYS 76 -3.816 -11.213 24.612 504 2HZ LYS 76 2HZ LYS 76 -4.271 -9.603 24.911 505 3HZ LYS 76 3HZ LYS 76 -4.674 -10.820 26.025 506 H GLU 77 H GLU 77 -10.002 -16.134 23.099 507 HA GLU 77 HA GLU 77 -11.414 -17.455 25.194 508 1HB GLU 77 1HB GLU 77 -11.635 -14.668 25.266 509 2HB GLU 77 2HB GLU 77 -13.146 -15.204 24.530 510 1HG GLU 77 1HG GLU 77 -12.977 -17.012 26.520 511 2HG GLU 77 2HG GLU 77 -12.097 -15.682 27.275 512 H GLY 78 H GLY 78 -13.642 -18.155 24.447 513 1HA GLY 78 1HA GLY 78 -14.149 -17.804 21.550 514 2HA GLY 78 2HA GLY 78 -15.251 -18.549 22.708 515 H GLU 79 H GLU 79 -14.163 -19.561 20.089 516 HA GLU 79 HA GLU 79 -12.420 -21.813 20.844 517 1HB GLU 79 1HB GLU 79 -14.609 -22.523 21.664 518 2HB GLU 79 2HB GLU 79 -15.348 -22.139 20.109 519 1HG GLU 79 1HG GLU 79 -14.998 -24.473 20.000 520 2HG GLU 79 2HG GLU 79 -13.627 -23.806 19.116 521 H ILE 80 H ILE 80 -11.183 -22.249 19.060 522 HA ILE 80 HA ILE 80 -12.246 -21.430 16.377 523 HB ILE 80 HB ILE 80 -9.441 -21.599 17.518 524 1HG1 ILE 80 1HG1 ILE 80 -10.240 -19.053 16.415 525 2HG1 ILE 80 2HG1 ILE 80 -11.418 -19.582 17.617 526 1HG2 ILE 80 1HG2 ILE 80 -9.706 -22.216 15.049 527 2HG2 ILE 80 2HG2 ILE 80 -10.249 -20.558 14.795 528 3HG2 ILE 80 3HG2 ILE 80 -8.621 -20.870 15.397 529 1HD1 ILE 80 1HD1 ILE 80 -9.364 -20.135 19.094 530 2HD1 ILE 80 2HD1 ILE 80 -8.454 -19.131 17.965 531 3HD1 ILE 80 3HD1 ILE 80 -9.785 -18.435 18.889 532 H ASP 81 H ASP 81 -12.260 -22.983 14.761 533 HA ASP 81 HA ASP 81 -11.499 -25.754 15.531 534 1HB ASP 81 1HB ASP 81 -13.752 -24.953 14.533 535 2HB ASP 81 2HB ASP 81 -12.876 -24.817 13.009 536 H MET 82 H MET 82 -10.244 -27.054 13.940 537 HA MET 82 HA MET 82 -8.792 -25.621 11.817 538 1HB MET 82 1HB MET 82 -6.581 -26.170 12.970 539 2HB MET 82 2HB MET 82 -7.533 -24.893 13.728 540 1HG MET 82 1HG MET 82 -8.505 -26.632 15.269 541 2HG MET 82 2HG MET 82 -7.369 -27.797 14.586 542 1HE MET 82 1HE MET 82 -7.458 -27.863 17.086 543 2HE MET 82 2HE MET 82 -5.882 -27.572 17.818 544 3HE MET 82 3HE MET 82 -7.214 -26.440 18.097 545 H ASP 83 H ASP 83 -6.807 -27.293 11.218 546 HA ASP 83 HA ASP 83 -8.182 -29.823 10.554 547 1HB ASP 83 1HB ASP 83 -6.168 -28.094 9.465 548 2HB ASP 83 2HB ASP 83 -5.475 -29.705 9.652 549 H MET 84 H MET 84 -6.143 -31.631 10.469 550 HA MET 84 HA MET 84 -5.952 -32.761 13.007 551 1HB MET 84 1HB MET 84 -5.011 -33.237 10.438 552 2HB MET 84 2HB MET 84 -3.530 -33.088 11.384 553 1HG MET 84 1HG MET 84 -5.248 -34.624 12.982 554 2HG MET 84 2HG MET 84 -5.476 -35.248 11.348 555 1HE MET 84 1HE MET 84 -4.294 -36.520 14.023 556 2HE MET 84 2HE MET 84 -4.444 -37.561 12.611 557 3HE MET 84 3HE MET 84 -2.918 -37.494 13.490 558 H GLN 85 H GLN 85 -3.684 -33.070 14.168 559 HA GLN 85 HA GLN 85 -2.051 -30.601 14.239 560 1HB GLN 85 1HB GLN 85 -4.196 -30.406 15.675 561 2HB GLN 85 2HB GLN 85 -3.435 -31.589 16.739 562 1HG GLN 85 1HG GLN 85 -2.261 -29.925 17.696 563 2HG GLN 85 2HG GLN 85 -1.466 -29.630 16.150 564 2HE2 GLN 85 2HE2 GLN 85 -2.864 -27.857 18.419 565 1HE2 GLN 85 1HE2 GLN 85 -3.737 -26.734 17.493 566 H GLN 86 H GLN 86 0.051 -31.191 14.678 567 HA GLN 86 HA GLN 86 0.526 -33.720 16.214 568 1HB GLN 86 1HB GLN 86 1.380 -32.889 13.463 569 2HB GLN 86 2HB GLN 86 2.476 -33.892 14.414 570 1HG GLN 86 1HG GLN 86 0.235 -35.275 14.853 571 2HG GLN 86 2HG GLN 86 -0.227 -34.544 13.317 572 2HE2 GLN 86 2HE2 GLN 86 2.529 -36.340 14.804 573 1HE2 GLN 86 1HE2 GLN 86 2.953 -37.161 13.381 574 H ILE 87 H ILE 87 1.820 -30.627 15.024 575 HA ILE 87 HA ILE 87 4.227 -30.792 16.690 576 HB ILE 87 HB ILE 87 4.183 -29.665 14.507 577 1HG1 ILE 87 1HG1 ILE 87 4.588 -27.196 15.791 578 2HG1 ILE 87 2HG1 ILE 87 4.996 -28.417 16.997 579 1HG2 ILE 87 1HG2 ILE 87 1.792 -28.450 15.694 580 2HG2 ILE 87 2HG2 ILE 87 2.855 -27.273 14.923 581 3HG2 ILE 87 3HG2 ILE 87 2.231 -28.637 13.996 582 1HD1 ILE 87 1HD1 ILE 87 6.042 -28.497 14.157 583 2HD1 ILE 87 2HD1 ILE 87 6.911 -27.715 15.476 584 3HD1 ILE 87 3HD1 ILE 87 6.596 -29.449 15.534 585 H LEU 88 H LEU 88 0.978 -29.529 17.011 586 HA LEU 88 HA LEU 88 1.768 -28.125 19.535 587 1HB LEU 88 1HB LEU 88 -0.453 -27.840 17.516 588 2HB LEU 88 2HB LEU 88 -0.618 -27.146 19.129 589 HG LEU 88 HG LEU 88 1.563 -26.549 17.109 590 1HD1 LEU 88 1HD1 LEU 88 -0.985 -25.459 17.454 591 2HD1 LEU 88 2HD1 LEU 88 0.084 -24.328 18.284 592 3HD1 LEU 88 3HD1 LEU 88 0.357 -24.714 16.584 593 1HD2 LEU 88 1HD2 LEU 88 1.343 -26.080 20.047 594 2HD2 LEU 88 2HD2 LEU 88 2.779 -26.338 19.056 595 3HD2 LEU 88 3HD2 LEU 88 1.986 -24.762 19.069 596 H SER 89 H SER 89 0.496 -28.528 21.440 597 HA SER 89 HA SER 89 -0.970 -31.141 21.382 598 1HB SER 89 1HB SER 89 0.137 -29.786 23.833 599 2HB SER 89 2HB SER 89 -0.078 -31.509 23.524 600 HG SER 89 HG SER 89 2.131 -30.586 23.376 601 H ASP 90 H ASP 90 -2.940 -31.277 22.646 602 HA ASP 90 HA ASP 90 -4.745 -29.119 22.450 603 1HB ASP 90 1HB ASP 90 -5.279 -31.529 22.788 604 2HB ASP 90 2HB ASP 90 -4.696 -31.404 24.448 605 H GLU 91 H GLU 91 -2.584 -30.039 25.102 606 HA GLU 91 HA GLU 91 -3.573 -28.283 27.116 607 1HB GLU 91 1HB GLU 91 -1.632 -30.178 26.880 608 2HB GLU 91 2HB GLU 91 -0.643 -28.717 26.892 609 1HG GLU 91 1HG GLU 91 -2.166 -28.046 28.930 610 2HG GLU 91 2HG GLU 91 -2.480 -29.778 29.021 611 H GLU 92 H GLU 92 -1.444 -27.725 24.349 612 HA GLU 92 HA GLU 92 -0.466 -25.133 25.130 613 1HB GLU 92 1HB GLU 92 -0.182 -26.987 23.037 614 2HB GLU 92 2HB GLU 92 -0.806 -25.528 22.267 615 1HG GLU 92 1HG GLU 92 1.459 -25.049 22.245 616 2HG GLU 92 2HG GLU 92 1.021 -24.356 23.806 617 H VAL 93 H VAL 93 -3.399 -26.236 23.495 618 HA VAL 93 HA VAL 93 -4.267 -23.579 22.670 619 HB VAL 93 HB VAL 93 -5.828 -26.154 23.058 620 1HG1 VAL 93 1HG1 VAL 93 -6.397 -23.503 21.904 621 2HG1 VAL 93 2HG1 VAL 93 -6.813 -24.853 20.848 622 3HG1 VAL 93 3HG1 VAL 93 -7.512 -24.749 22.464 623 1HG2 VAL 93 1HG2 VAL 93 -3.660 -25.517 21.263 624 2HG2 VAL 93 2HG2 VAL 93 -4.566 -27.024 21.408 625 3HG2 VAL 93 3HG2 VAL 93 -5.147 -25.746 20.342 626 H GLU 94 H GLU 94 -4.686 -25.614 25.517 627 HA GLU 94 HA GLU 94 -6.736 -23.788 26.650 628 1HB GLU 94 1HB GLU 94 -6.063 -26.542 26.790 629 2HB GLU 94 2HB GLU 94 -5.814 -25.881 28.405 630 1HG GLU 94 1HG GLU 94 -8.091 -24.873 28.308 631 2HG GLU 94 2HG GLU 94 -8.335 -25.633 26.736 632 H GLU 95 H GLU 95 -3.378 -24.819 27.212 633 HA GLU 95 HA GLU 95 -3.166 -23.005 29.556 634 1HB GLU 95 1HB GLU 95 -2.124 -25.494 28.811 635 2HB GLU 95 2HB GLU 95 -0.755 -24.390 28.682 636 1HG GLU 95 1HG GLU 95 -1.294 -23.546 30.982 637 2HG GLU 95 2HG GLU 95 -2.540 -24.789 31.101 638 H LYS 96 H LYS 96 -2.137 -23.253 26.199 639 HA LYS 96 HA LYS 96 -0.497 -20.766 26.535 640 1HB LYS 96 1HB LYS 96 -0.027 -23.266 25.329 641 2HB LYS 96 2HB LYS 96 -0.266 -22.144 23.989 642 1HG LYS 96 1HG LYS 96 1.953 -21.698 24.334 643 2HG LYS 96 2HG LYS 96 1.322 -20.635 25.594 644 1HD LYS 96 1HD LYS 96 1.667 -22.318 27.286 645 2HD LYS 96 2HD LYS 96 2.043 -23.541 26.072 646 1HE LYS 96 1HE LYS 96 3.891 -21.633 25.438 647 2HE LYS 96 2HE LYS 96 3.772 -21.411 27.193 648 1HZ LYS 96 1HZ LYS 96 3.752 -24.012 27.149 649 2HZ LYS 96 2HZ LYS 96 4.543 -23.801 25.662 650 3HZ LYS 96 3HZ LYS 96 5.225 -23.169 27.083 651 H ASP 97 H ASP 97 -3.429 -21.994 25.243 652 HA ASP 97 HA ASP 97 -5.098 -20.982 23.904 653 1HB ASP 97 1HB ASP 97 -3.572 -18.911 25.310 654 2HB ASP 97 2HB ASP 97 -4.334 -18.308 23.835 655 H VAL 98 H VAL 98 -2.349 -21.793 22.731 656 HA VAL 98 HA VAL 98 -2.085 -19.907 20.474 657 HB VAL 98 HB VAL 98 -0.171 -21.406 19.923 658 1HG1 VAL 98 1HG1 VAL 98 -0.449 -20.493 22.799 659 2HG1 VAL 98 2HG1 VAL 98 1.075 -21.031 22.093 660 3HG1 VAL 98 3HG1 VAL 98 0.268 -19.598 21.458 661 1HG2 VAL 98 1HG2 VAL 98 -1.683 -23.224 21.525 662 2HG2 VAL 98 2HG2 VAL 98 -0.183 -23.535 20.652 663 3HG2 VAL 98 3HG2 VAL 98 -0.131 -22.965 22.321 664 H ARG 99 H ARG 99 -2.307 -20.585 18.265 665 HA ARG 99 HA ARG 99 -3.497 -23.201 17.641 666 1HB ARG 99 1HB ARG 99 -5.196 -21.295 18.533 667 2HB ARG 99 2HB ARG 99 -5.157 -20.868 16.822 668 1HG ARG 99 1HG ARG 99 -6.729 -22.485 16.572 669 2HG ARG 99 2HG ARG 99 -5.386 -23.617 16.741 670 1HD ARG 99 1HD ARG 99 -6.148 -24.328 18.760 671 2HD ARG 99 2HD ARG 99 -6.352 -22.663 19.337 672 HE ARG 99 HE ARG 99 -8.357 -23.213 17.371 673 1HH1 ARG 99 1HH1 ARG 99 -8.879 -22.016 20.083 674 2HH1 ARG 99 2HH1 ARG 99 -9.835 -23.249 20.837 675 1HH2 ARG 99 1HH2 ARG 99 -8.962 -25.698 18.543 676 2HH2 ARG 99 2HH2 ARG 99 -9.881 -25.334 19.964 677 H LEU 100 H LEU 100 -3.886 -23.344 15.218 678 HA LEU 100 HA LEU 100 -1.805 -21.761 13.795 679 1HB LEU 100 1HB LEU 100 -3.400 -24.189 12.921 680 2HB LEU 100 2HB LEU 100 -1.907 -23.586 12.200 681 HG LEU 100 HG LEU 100 -2.276 -24.833 14.933 682 1HD1 LEU 100 1HD1 LEU 100 -1.566 -25.867 12.430 683 2HD1 LEU 100 2HD1 LEU 100 -0.034 -25.688 13.286 684 3HD1 LEU 100 3HD1 LEU 100 -1.331 -26.653 13.991 685 1HD2 LEU 100 1HD2 LEU 100 -0.295 -22.870 13.974 686 2HD2 LEU 100 2HD2 LEU 100 -0.714 -23.328 15.624 687 3HD2 LEU 100 3HD2 LEU 100 0.412 -24.317 14.693 688 H THR 101 H THR 101 -2.676 -19.874 12.980 689 HA THR 101 HA THR 101 -5.452 -19.619 12.163 690 HB THR 101 HB THR 101 -4.690 -17.374 11.491 691 HG1 THR 101 HG1 THR 101 -2.447 -16.934 11.640 692 1HG2 THR 101 1HG2 THR 101 -3.880 -18.594 14.081 693 2HG2 THR 101 2HG2 THR 101 -3.247 -16.986 13.727 694 3HG2 THR 101 3HG2 THR 101 -4.989 -17.260 13.763 695 H CYS 102 H CYS 102 -2.500 -20.603 10.585 696 HA CYS 102 HA CYS 102 -3.241 -20.018 7.864 697 1HB CYS 102 1HB CYS 102 -1.421 -21.643 7.384 698 2HB CYS 102 2HB CYS 102 -0.950 -20.496 8.637 699 H ILE 103 H ILE 103 -3.897 -22.720 10.044 700 HA ILE 103 HA ILE 103 -5.683 -23.893 7.938 701 HB ILE 103 HB ILE 103 -4.975 -26.108 8.883 702 1HG1 ILE 103 1HG1 ILE 103 -2.564 -25.116 10.159 703 2HG1 ILE 103 2HG1 ILE 103 -4.002 -24.487 10.963 704 1HG2 ILE 103 1HG2 ILE 103 -3.746 -24.662 7.000 705 2HG2 ILE 103 2HG2 ILE 103 -2.433 -24.703 8.178 706 3HG2 ILE 103 3HG2 ILE 103 -3.097 -26.209 7.543 707 1HD1 ILE 103 1HD1 ILE 103 -4.445 -27.250 10.339 708 2HD1 ILE 103 2HD1 ILE 103 -2.891 -27.103 11.160 709 3HD1 ILE 103 3HD1 ILE 103 -4.356 -26.489 11.927 710 H GLY 104 H GLY 104 -6.190 -22.058 10.299 711 1HA GLY 104 1HA GLY 104 -7.232 -22.489 12.557 712 2HA GLY 104 2HA GLY 104 -8.034 -23.869 11.810 713 H SER 105 H SER 105 -10.104 -22.950 12.378 714 HA SER 105 HA SER 105 -10.857 -20.447 10.926 715 1HB SER 105 1HB SER 105 -13.026 -22.075 10.551 716 2HB SER 105 2HB SER 105 -11.725 -21.891 9.373 717 HG SER 105 HG SER 105 -12.447 -24.074 10.633 718 HA PRO 106 HA PRO 106 -12.994 -19.608 14.680 719 1HB PRO 106 1HB PRO 106 -14.974 -17.961 13.742 720 2HB PRO 106 2HB PRO 106 -13.283 -17.451 13.904 721 1HG PRO 106 1HG PRO 106 -14.775 -18.348 11.480 722 2HG PRO 106 2HG PRO 106 -13.597 -17.040 11.656 723 1HD PRO 106 1HD PRO 106 -12.980 -19.466 10.588 724 2HD PRO 106 2HD PRO 106 -11.801 -18.462 11.458 725 H ALA 107 H ALA 107 -14.539 -20.765 15.803 726 HA ALA 107 HA ALA 107 -16.692 -22.113 14.204 727 1HB ALA 107 1HB ALA 107 -16.551 -23.811 16.058 728 2HB ALA 107 2HB ALA 107 -15.210 -22.887 16.736 729 3HB ALA 107 3HB ALA 107 -15.051 -23.639 15.149 730 H ALA 108 H ALA 108 -16.072 -19.802 16.651 731 HA ALA 108 HA ALA 108 -18.876 -20.061 17.688 732 1HB ALA 108 1HB ALA 108 -16.629 -20.250 19.104 733 2HB ALA 108 2HB ALA 108 -18.042 -19.424 19.762 734 3HB ALA 108 3HB ALA 108 -16.723 -18.490 19.056 735 H ASP 109 H ASP 109 -19.997 -17.998 18.092 736 HA ASP 109 HA ASP 109 -19.826 -16.129 15.938 737 1HB ASP 109 1HB ASP 109 -21.137 -16.233 18.650 738 2HB ASP 109 2HB ASP 109 -21.292 -14.792 17.645 739 H GLU 110 H GLU 110 -19.446 -15.142 19.342 740 HA GLU 110 HA GLU 110 -17.477 -13.093 18.506 741 1HB GLU 110 1HB GLU 110 -18.979 -13.757 21.051 742 2HB GLU 110 2HB GLU 110 -17.806 -12.445 20.954 743 1HG GLU 110 1HG GLU 110 -19.768 -12.441 18.762 744 2HG GLU 110 2HG GLU 110 -20.486 -12.207 20.355 745 H VAL 111 H VAL 111 -15.320 -13.596 18.577 746 HA VAL 111 HA VAL 111 -14.386 -15.472 20.716 747 HB VAL 111 HB VAL 111 -14.546 -15.889 17.915 748 1HG1 VAL 111 1HG1 VAL 111 -11.710 -15.441 18.868 749 2HG1 VAL 111 2HG1 VAL 111 -12.098 -16.450 17.474 750 3HG1 VAL 111 3HG1 VAL 111 -12.503 -14.733 17.461 751 1HG2 VAL 111 1HG2 VAL 111 -13.058 -17.385 20.090 752 2HG2 VAL 111 2HG2 VAL 111 -14.747 -17.610 19.637 753 3HG2 VAL 111 3HG2 VAL 111 -13.465 -18.049 18.508 754 H LYS 112 H LYS 112 -12.059 -15.185 21.222 755 HA LYS 112 HA LYS 112 -11.024 -12.459 20.523 756 1HB LYS 112 1HB LYS 112 -10.868 -13.888 23.196 757 2HB LYS 112 2HB LYS 112 -10.369 -12.229 22.858 758 1HG LYS 112 1HG LYS 112 -12.880 -12.017 22.006 759 2HG LYS 112 2HG LYS 112 -13.126 -13.370 23.110 760 1HD LYS 112 1HD LYS 112 -11.971 -12.015 24.898 761 2HD LYS 112 2HD LYS 112 -11.975 -10.649 23.783 762 1HE LYS 112 1HE LYS 112 -14.589 -11.360 23.632 763 2HE LYS 112 2HE LYS 112 -14.232 -11.856 25.296 764 1HZ LYS 112 1HZ LYS 112 -13.551 -9.217 24.097 765 2HZ LYS 112 2HZ LYS 112 -14.842 -9.496 25.163 766 3HZ LYS 112 3HZ LYS 112 -13.242 -9.692 25.698 767 H ILE 113 H ILE 113 -8.870 -12.478 19.877 768 HA ILE 113 HA ILE 113 -7.070 -14.654 20.712 769 HB ILE 113 HB ILE 113 -8.446 -15.620 18.899 770 1HG1 ILE 113 1HG1 ILE 113 -5.965 -15.266 17.391 771 2HG1 ILE 113 2HG1 ILE 113 -5.673 -15.614 19.095 772 1HG2 ILE 113 1HG2 ILE 113 -7.733 -13.033 17.645 773 2HG2 ILE 113 2HG2 ILE 113 -7.669 -14.433 16.574 774 3HG2 ILE 113 3HG2 ILE 113 -9.166 -14.037 17.418 775 1HD1 ILE 113 1HD1 ILE 113 -7.737 -17.229 17.645 776 2HD1 ILE 113 2HD1 ILE 113 -6.036 -17.585 17.350 777 3HD1 ILE 113 3HD1 ILE 113 -6.689 -17.697 18.984 778 H VAL 114 H VAL 114 -4.872 -14.185 20.236 779 HA VAL 114 HA VAL 114 -4.360 -11.373 19.357 780 HB VAL 114 HB VAL 114 -3.408 -13.176 21.456 781 1HG1 VAL 114 1HG1 VAL 114 -1.347 -11.776 19.730 782 2HG1 VAL 114 2HG1 VAL 114 -1.030 -12.309 21.381 783 3HG1 VAL 114 3HG1 VAL 114 -1.417 -13.492 20.132 784 1HG2 VAL 114 1HG2 VAL 114 -4.360 -10.733 21.466 785 2HG2 VAL 114 2HG2 VAL 114 -3.105 -11.179 22.621 786 3HG2 VAL 114 3HG2 VAL 114 -2.683 -10.277 21.165 787 H TYR 115 H TYR 115 -3.183 -11.064 17.475 788 HA TYR 115 HA TYR 115 -2.298 -13.491 16.009 789 1HB TYR 115 1HB TYR 115 -2.876 -12.291 14.151 790 2HB TYR 115 2HB TYR 115 -3.751 -11.288 15.302 791 HD1 TYR 115 HD1 TYR 115 -2.053 -9.510 16.553 792 HD2 TYR 115 HD2 TYR 115 -1.595 -11.136 12.601 793 HE1 TYR 115 HE1 TYR 115 -0.637 -7.578 15.925 794 HE2 TYR 115 HE2 TYR 115 -0.179 -9.198 11.974 795 HH TYR 115 HH TYR 115 -0.070 -6.396 13.598 796 H ASN 116 H ASN 116 -0.163 -13.572 15.049 797 HA ASN 116 HA ASN 116 2.162 -13.139 14.922 798 1HB ASN 116 1HB ASN 116 0.926 -10.672 15.340 799 2HB ASN 116 2HB ASN 116 2.156 -10.747 16.600 800 2HD2 ASN 116 2HD2 ASN 116 2.057 -9.168 13.967 801 1HD2 ASN 116 1HD2 ASN 116 3.511 -9.563 13.188 802 H ALA 117 H ALA 117 1.429 -14.985 16.754 803 HA ALA 117 HA ALA 117 2.218 -14.327 19.481 804 1HB ALA 117 1HB ALA 117 1.635 -16.562 19.884 805 2HB ALA 117 2HB ALA 117 0.682 -16.205 18.443 806 3HB ALA 117 3HB ALA 117 2.198 -17.093 18.299 807 H LYS 118 H LYS 118 3.893 -15.299 16.584 808 HA LYS 118 HA LYS 118 6.177 -16.614 17.506 809 1HB LYS 118 1HB LYS 118 7.286 -15.246 15.605 810 2HB LYS 118 2HB LYS 118 5.886 -16.229 15.176 811 1HG LYS 118 1HG LYS 118 4.549 -14.403 14.813 812 2HG LYS 118 2HG LYS 118 5.308 -13.465 16.101 813 1HD LYS 118 1HD LYS 118 6.585 -14.069 13.416 814 2HD LYS 118 2HD LYS 118 5.806 -12.543 13.839 815 1HE LYS 118 1HE LYS 118 7.434 -12.430 15.822 816 2HE LYS 118 2HE LYS 118 8.322 -13.745 15.030 817 H HIS 119 H HIS 119 5.194 -13.309 18.060 818 HA HIS 119 HA HIS 119 7.667 -12.085 18.726 819 1HB HIS 119 1HB HIS 119 4.781 -11.776 19.510 820 2HB HIS 119 2HB HIS 119 6.001 -10.805 20.332 821 HD1 HIS 119 HD1 HIS 119 7.789 -9.664 18.442 822 HD2 HIS 119 HD2 HIS 119 3.884 -10.496 17.241 823 HE1 HIS 119 HE1 HIS 119 7.355 -8.248 16.388 824 H LEU 120 H LEU 120 5.565 -14.253 20.569 825 HA LEU 120 HA LEU 120 6.401 -14.009 23.187 826 1HB LEU 120 1HB LEU 120 5.438 -16.097 21.400 827 2HB LEU 120 2HB LEU 120 6.485 -16.764 22.652 828 HG LEU 120 HG LEU 120 4.357 -14.778 23.400 829 1HD1 LEU 120 1HD1 LEU 120 3.233 -16.512 22.035 830 2HD1 LEU 120 2HD1 LEU 120 3.947 -17.764 23.051 831 3HD1 LEU 120 3HD1 LEU 120 2.777 -16.636 23.733 832 1HD2 LEU 120 1HD2 LEU 120 6.314 -16.308 24.749 833 2HD2 LEU 120 2HD2 LEU 120 5.035 -15.334 25.475 834 3HD2 LEU 120 3HD2 LEU 120 4.761 -17.045 25.146 835 H ASP 121 H ASP 121 8.299 -14.369 24.330 836 HA ASP 121 HA ASP 121 10.821 -14.495 22.987 837 1HB ASP 121 1HB ASP 121 9.867 -14.965 25.819 838 2HB ASP 121 2HB ASP 121 11.577 -15.017 25.392 839 H TYR 122 H TYR 122 8.681 -16.997 24.241 840 HA TYR 122 HA TYR 122 10.525 -19.174 24.345 841 1HB TYR 122 1HB TYR 122 7.939 -18.746 24.988 842 2HB TYR 122 2HB TYR 122 7.713 -19.620 23.473 843 HD1 TYR 122 HD1 TYR 122 9.220 -21.780 23.189 844 HD2 TYR 122 HD2 TYR 122 8.227 -19.969 26.956 845 HE1 TYR 122 HE1 TYR 122 9.710 -23.918 24.346 846 HE2 TYR 122 HE2 TYR 122 8.719 -22.108 28.114 847 HH TYR 122 HH TYR 122 10.179 -24.812 26.432 848 H LEU 123 H LEU 123 8.571 -17.865 21.688 849 HA LEU 123 HA LEU 123 9.684 -19.897 19.817 850 1HB LEU 123 1HB LEU 123 7.349 -18.078 20.001 851 2HB LEU 123 2HB LEU 123 7.998 -18.302 18.377 852 HG LEU 123 HG LEU 123 7.328 -20.593 20.244 853 1HD1 LEU 123 1HD1 LEU 123 5.697 -19.187 18.125 854 2HD1 LEU 123 2HD1 LEU 123 5.380 -20.863 18.573 855 3HD1 LEU 123 3HD1 LEU 123 5.230 -19.585 19.779 856 1HD2 LEU 123 1HD2 LEU 123 8.412 -20.303 17.489 857 2HD2 LEU 123 2HD2 LEU 123 8.707 -21.565 18.685 858 3HD2 LEU 123 3HD2 LEU 123 7.222 -21.581 17.732 859 H GLN 124 H GLN 124 10.193 -16.650 20.830 860 HA GLN 124 HA GLN 124 11.025 -15.241 18.580 861 1HB GLN 124 1HB GLN 124 10.987 -14.685 21.118 862 2HB GLN 124 2HB GLN 124 12.631 -15.324 21.133 863 1HG GLN 124 1HG GLN 124 12.858 -12.974 20.765 864 2HG GLN 124 2HG GLN 124 13.116 -13.730 19.193 865 2HE2 GLN 124 2HE2 GLN 124 11.249 -11.383 20.848 866 1HE2 GLN 124 1HE2 GLN 124 10.067 -11.141 19.655 867 H ASN 125 H ASN 125 12.569 -18.025 20.045 868 HA ASN 125 HA ASN 125 15.193 -17.680 18.899 869 1HB ASN 125 1HB ASN 125 15.410 -20.061 19.526 870 2HB ASN 125 2HB ASN 125 14.625 -19.146 20.812 871 2HD2 ASN 125 2HD2 ASN 125 14.366 -22.018 19.162 872 1HD2 ASN 125 1HD2 ASN 125 12.694 -22.279 19.306 873 H ARG 126 H ARG 126 12.184 -18.433 17.478 874 HA ARG 126 HA ARG 126 13.509 -19.765 15.142 875 1HB ARG 126 1HB ARG 126 10.950 -20.023 16.592 876 2HB ARG 126 2HB ARG 126 10.796 -20.068 14.836 877 1HG ARG 126 1HG ARG 126 12.917 -21.705 16.207 878 2HG ARG 126 2HG ARG 126 11.259 -22.300 16.120 879 1HD ARG 126 1HD ARG 126 11.297 -22.421 13.763 880 2HD ARG 126 2HD ARG 126 12.667 -21.302 13.638 881 HE ARG 126 HE ARG 126 13.323 -23.680 15.186 882 1HH1 ARG 126 1HH1 ARG 126 15.463 -22.636 13.626 883 2HH1 ARG 126 2HH1 ARG 126 15.489 -23.607 12.192 884 1HH2 ARG 126 1HH2 ARG 126 12.273 -24.824 12.639 885 2HH2 ARG 126 2HH2 ARG 126 13.683 -24.846 11.634 886 H VAL 127 H VAL 127 12.235 -16.810 16.184 887 HA VAL 127 HA VAL 127 10.742 -15.786 14.041 888 HB VAL 127 HB VAL 127 11.343 -14.716 16.250 889 1HG1 VAL 127 1HG1 VAL 127 13.917 -15.210 15.509 890 2HG1 VAL 127 2HG1 VAL 127 13.768 -13.515 15.047 891 3HG1 VAL 127 3HG1 VAL 127 13.463 -14.005 16.713 892 1HG2 VAL 127 1HG2 VAL 127 10.990 -13.511 13.675 893 2HG2 VAL 127 2HG2 VAL 127 10.503 -12.884 15.250 894 3HG2 VAL 127 3HG2 VAL 127 12.103 -12.511 14.608 895 H ILE 128 H ILE 128 11.243 -15.605 11.895 896 HA ILE 128 HA ILE 128 14.056 -15.875 11.019 897 HB ILE 128 HB ILE 128 12.065 -17.107 10.045 898 1HG1 ILE 128 1HG1 ILE 128 12.852 -16.923 7.764 899 2HG1 ILE 128 2HG1 ILE 128 13.513 -15.317 8.074 900 1HG2 ILE 128 1HG2 ILE 128 10.968 -14.538 10.003 901 2HG2 ILE 128 2HG2 ILE 128 11.317 -14.886 8.310 902 3HG2 ILE 128 3HG2 ILE 128 10.285 -15.973 9.239 903 1HD1 ILE 128 1HD1 ILE 128 14.477 -17.421 9.910 904 2HD1 ILE 128 2HD1 ILE 128 14.968 -17.629 8.228 905 3HD1 ILE 128 3HD1 ILE 128 15.376 -16.145 9.089 No H/Q in entry = 905 Start of MODEL 5 1 H2 PRO 1 H2 PRO 1 -17.575 -15.220 10.679 2 H3 PRO 1 H3 PRO 1 -19.062 -16.022 10.883 3 HA PRO 1 HA PRO 1 -19.240 -15.052 12.863 4 1HB PRO 1 1HB PRO 1 -17.237 -16.100 14.402 5 2HB PRO 1 2HB PRO 1 -18.644 -17.046 13.872 6 1HG PRO 1 1HG PRO 1 -15.874 -16.984 12.782 7 2HG PRO 1 2HG PRO 1 -16.974 -18.354 12.988 8 1HD PRO 1 1HD PRO 1 -16.526 -17.103 10.598 9 2HD PRO 1 2HD PRO 1 -18.024 -17.966 10.994 10 H THR 2 H THR 2 -18.115 -13.626 14.551 11 HA THR 2 HA THR 2 -16.094 -11.906 13.180 12 HB THR 2 HB THR 2 -18.033 -11.474 15.473 13 HG1 THR 2 HG1 THR 2 -18.830 -9.935 13.853 14 1HG2 THR 2 1HG2 THR 2 -15.691 -10.214 15.387 15 2HG2 THR 2 2HG2 THR 2 -16.530 -9.240 14.180 16 3HG2 THR 2 3HG2 THR 2 -17.172 -9.360 15.818 17 H VAL 3 H VAL 3 -14.013 -12.067 13.899 18 HA VAL 3 HA VAL 3 -13.557 -13.022 16.710 19 HB VAL 3 HB VAL 3 -11.896 -13.412 14.197 20 1HG1 VAL 3 1HG1 VAL 3 -11.389 -13.815 17.061 21 2HG1 VAL 3 2HG1 VAL 3 -11.103 -15.262 16.094 22 3HG1 VAL 3 3HG1 VAL 3 -10.250 -13.764 15.717 23 1HG2 VAL 3 1HG2 VAL 3 -14.237 -14.722 15.003 24 2HG2 VAL 3 2HG2 VAL 3 -13.070 -15.301 13.815 25 3HG2 VAL 3 3HG2 VAL 3 -12.930 -15.798 15.502 26 H GLU 4 H GLU 4 -12.582 -11.478 17.963 27 HA GLU 4 HA GLU 4 -11.494 -9.039 16.742 28 1HB GLU 4 1HB GLU 4 -12.872 -9.493 18.960 29 2HB GLU 4 2HB GLU 4 -11.269 -9.762 19.646 30 1HG GLU 4 1HG GLU 4 -10.806 -7.552 19.635 31 2HG GLU 4 2HG GLU 4 -11.334 -7.385 17.961 32 H TYR 5 H TYR 5 -9.430 -9.138 15.915 33 HA TYR 5 HA TYR 5 -7.451 -11.016 17.051 34 1HB TYR 5 1HB TYR 5 -6.111 -10.186 15.123 35 2HB TYR 5 2HB TYR 5 -7.714 -10.725 14.625 36 HD1 TYR 5 HD1 TYR 5 -5.794 -7.674 15.621 37 HD2 TYR 5 HD2 TYR 5 -9.168 -9.261 13.489 38 HE1 TYR 5 HE1 TYR 5 -6.258 -5.428 14.679 39 HE2 TYR 5 HE2 TYR 5 -9.633 -7.015 12.549 40 HH TYR 5 HH TYR 5 -9.129 -4.826 12.686 41 H LEU 6 H LEU 6 -5.579 -10.364 18.155 42 HA LEU 6 HA LEU 6 -5.276 -7.441 18.741 43 1HB LEU 6 1HB LEU 6 -6.296 -9.387 20.453 44 2HB LEU 6 2HB LEU 6 -4.607 -9.254 20.942 45 HG LEU 6 HG LEU 6 -6.635 -7.010 20.754 46 1HD1 LEU 6 1HD1 LEU 6 -6.592 -8.549 22.787 47 2HD1 LEU 6 2HD1 LEU 6 -4.971 -7.936 23.108 48 3HD1 LEU 6 3HD1 LEU 6 -6.349 -6.836 23.129 49 1HD2 LEU 6 1HD2 LEU 6 -3.636 -7.003 21.024 50 2HD2 LEU 6 2HD2 LEU 6 -4.654 -5.994 19.997 51 3HD2 LEU 6 3HD2 LEU 6 -4.600 -5.709 21.737 52 H ASN 7 H ASN 7 -3.120 -6.770 18.725 53 HA ASN 7 HA ASN 7 -1.106 -8.569 17.663 54 1HB ASN 7 1HB ASN 7 -1.289 -6.141 17.190 55 2HB ASN 7 2HB ASN 7 -0.911 -5.793 18.875 56 2HD2 ASN 7 2HD2 ASN 7 1.016 -4.613 17.814 57 1HD2 ASN 7 1HD2 ASN 7 2.400 -5.531 17.462 58 H TYR 8 H TYR 8 -0.109 -10.076 18.929 59 HA TYR 8 HA TYR 8 -0.122 -10.178 21.764 60 1HB TYR 8 1HB TYR 8 0.321 -12.088 20.324 61 2HB TYR 8 2HB TYR 8 1.761 -11.308 19.670 62 HD1 TYR 8 HD1 TYR 8 3.705 -10.811 21.226 63 HD2 TYR 8 HD2 TYR 8 0.401 -13.318 22.352 64 HE1 TYR 8 HE1 TYR 8 5.058 -11.767 23.071 65 HE2 TYR 8 HE2 TYR 8 1.755 -14.273 24.197 66 HH TYR 8 HH TYR 8 5.089 -13.156 24.797 67 H GLU 9 H GLU 9 1.876 -8.343 19.577 68 HA GLU 9 HA GLU 9 4.125 -7.927 21.353 69 1HB GLU 9 1HB GLU 9 4.130 -7.635 18.881 70 2HB GLU 9 2HB GLU 9 3.028 -6.269 19.056 71 1HG GLU 9 1HG GLU 9 4.662 -4.883 19.891 72 2HG GLU 9 2HG GLU 9 5.523 -6.204 20.683 73 H THR 10 H THR 10 1.131 -6.108 20.671 74 HA THR 10 HA THR 10 1.697 -3.829 22.303 75 HB THR 10 HB THR 10 -0.829 -5.226 21.387 76 HG1 THR 10 HG1 THR 10 0.327 -4.229 19.772 77 1HG2 THR 10 1HG2 THR 10 -0.508 -2.642 22.929 78 2HG2 THR 10 2HG2 THR 10 -1.965 -3.058 22.025 79 3HG2 THR 10 3HG2 THR 10 -1.459 -4.054 23.390 80 H LEU 11 H LEU 11 0.333 -7.017 23.061 81 HA LEU 11 HA LEU 11 -0.532 -6.415 25.738 82 1HB LEU 11 1HB LEU 11 -1.366 -8.365 24.663 83 2HB LEU 11 2HB LEU 11 0.252 -8.901 24.208 84 HG LEU 11 HG LEU 11 0.802 -9.427 26.496 85 1HD1 LEU 11 1HD1 LEU 11 -1.833 -8.072 27.124 86 2HD1 LEU 11 2HD1 LEU 11 -0.955 -9.063 28.291 87 3HD1 LEU 11 3HD1 LEU 11 -0.224 -7.587 27.659 88 1HD2 LEU 11 1HD2 LEU 11 -1.281 -10.670 25.076 89 2HD2 LEU 11 2HD2 LEU 11 -0.341 -11.367 26.396 90 3HD2 LEU 11 3HD2 LEU 11 -1.865 -10.546 26.736 91 H ASP 12 H ASP 12 2.486 -7.854 24.459 92 HA ASP 12 HA ASP 12 3.743 -8.003 27.085 93 1HB ASP 12 1HB ASP 12 4.115 -9.363 24.885 94 2HB ASP 12 2HB ASP 12 5.150 -8.013 24.418 95 H ASP 13 H ASP 13 4.256 -5.944 24.195 96 HA ASP 13 HA ASP 13 6.262 -4.241 25.131 97 1HB ASP 13 1HB ASP 13 5.137 -4.317 22.873 98 2HB ASP 13 2HB ASP 13 3.778 -3.443 23.580 99 H GLN 14 H GLN 14 2.736 -3.637 25.434 100 HA GLN 14 HA GLN 14 3.035 -1.391 27.218 101 1HB GLN 14 1HB GLN 14 1.051 -2.600 25.722 102 2HB GLN 14 2HB GLN 14 0.556 -2.974 27.374 103 1HG GLN 14 1HG GLN 14 -0.437 -0.887 27.069 104 2HG GLN 14 2HG GLN 14 1.104 -0.427 27.793 105 2HE2 GLN 14 2HE2 GLN 14 -0.821 0.774 25.559 106 1HE2 GLN 14 1HE2 GLN 14 0.280 1.242 24.355 107 H GLY 15 H GLY 15 3.244 -4.798 27.685 108 1HA GLY 15 1HA GLY 15 3.920 -4.538 30.464 109 2HA GLY 15 2HA GLY 15 3.621 -6.060 29.627 110 H TRP 16 H TRP 16 0.956 -5.588 28.792 111 HA TRP 16 HA TRP 16 -0.597 -4.929 31.224 112 1HB TRP 16 1HB TRP 16 -1.158 -5.518 28.321 113 2HB TRP 16 2HB TRP 16 -2.473 -5.502 29.496 114 HD1 TRP 16 HD1 TRP 16 0.148 -3.138 30.521 115 HE1 TRP 16 HE1 TRP 16 -0.521 -0.717 29.944 116 HE3 TRP 16 HE3 TRP 16 -3.814 -4.030 27.422 117 HZ2 TRP 16 HZ2 TRP 16 -2.476 0.660 28.378 118 HZ3 TRP 16 HZ3 TRP 16 -5.059 -2.145 26.402 119 HH2 TRP 16 HH2 TRP 16 -4.397 0.197 26.876 120 H ASP 17 H ASP 17 -2.600 -6.591 31.433 121 HA ASP 17 HA ASP 17 -1.354 -9.223 31.993 122 1HB ASP 17 1HB ASP 17 -3.678 -7.602 32.899 123 2HB ASP 17 2HB ASP 17 -3.877 -9.353 32.969 124 H MET 18 H MET 18 -2.851 -11.171 31.565 125 HA MET 18 HA MET 18 -3.499 -11.252 28.728 126 1HB MET 18 1HB MET 18 -2.601 -13.027 30.512 127 2HB MET 18 2HB MET 18 -4.324 -13.367 30.674 128 1HG MET 18 1HG MET 18 -4.425 -13.597 28.160 129 2HG MET 18 2HG MET 18 -2.665 -13.479 28.140 130 1HE MET 18 1HE MET 18 -5.264 -15.533 27.611 131 2HE MET 18 2HE MET 18 -5.095 -17.091 28.432 132 3HE MET 18 3HE MET 18 -5.786 -15.712 29.284 133 H ASP 19 H ASP 19 -5.401 -11.351 31.755 134 HA ASP 19 HA ASP 19 -7.843 -10.774 30.106 135 1HB ASP 19 1HB ASP 19 -7.922 -13.064 30.816 136 2HB ASP 19 2HB ASP 19 -7.397 -12.642 32.446 137 H ASP 20 H ASP 20 -5.874 -9.893 32.796 138 HA ASP 20 HA ASP 20 -7.904 -8.560 34.384 139 1HB ASP 20 1HB ASP 20 -5.387 -9.417 34.793 140 2HB ASP 20 2HB ASP 20 -5.041 -7.726 34.428 141 H ASP 21 H ASP 21 -5.487 -7.433 32.001 142 HA ASP 21 HA ASP 21 -6.348 -4.652 32.178 143 1HB ASP 21 1HB ASP 21 -4.356 -6.325 30.791 144 2HB ASP 21 2HB ASP 21 -4.900 -4.930 29.859 145 H ASP 22 H ASP 22 -7.599 -7.411 30.616 146 HA ASP 22 HA ASP 22 -9.118 -7.679 28.808 147 1HB ASP 22 1HB ASP 22 -9.976 -5.910 30.806 148 2HB ASP 22 2HB ASP 22 -10.387 -5.099 29.293 149 H LEU 23 H LEU 23 -6.801 -6.826 27.692 150 HA LEU 23 HA LEU 23 -6.573 -4.356 26.420 151 1HB LEU 23 1HB LEU 23 -6.040 -7.109 25.260 152 2HB LEU 23 2HB LEU 23 -5.267 -5.607 24.755 153 HG LEU 23 HG LEU 23 -4.875 -5.625 27.500 154 1HD1 LEU 23 1HD1 LEU 23 -5.377 -8.326 26.615 155 2HD1 LEU 23 2HD1 LEU 23 -3.702 -8.173 27.145 156 3HD1 LEU 23 3HD1 LEU 23 -5.017 -7.747 28.241 157 1HD2 LEU 23 1HD2 LEU 23 -3.362 -5.300 25.306 158 2HD2 LEU 23 2HD2 LEU 23 -2.653 -5.567 26.898 159 3HD2 LEU 23 3HD2 LEU 23 -2.816 -6.912 25.769 160 H PHE 24 H PHE 24 -8.470 -7.176 25.299 161 HA PHE 24 HA PHE 24 -9.360 -6.158 22.821 162 1HB PHE 24 1HB PHE 24 -10.525 -7.994 24.915 163 2HB PHE 24 2HB PHE 24 -11.384 -7.675 23.408 164 HD1 PHE 24 HD1 PHE 24 -9.827 -7.823 21.227 165 HD2 PHE 24 HD2 PHE 24 -9.064 -9.806 24.960 166 HE1 PHE 24 HE1 PHE 24 -8.392 -9.473 20.057 167 HE2 PHE 24 HE2 PHE 24 -7.630 -11.456 23.789 168 HZ PHE 24 HZ PHE 24 -7.294 -11.290 21.338 169 H GLU 25 H GLU 25 -10.368 -5.376 26.087 170 HA GLU 25 HA GLU 25 -12.649 -3.747 25.069 171 1HB GLU 25 1HB GLU 25 -12.880 -5.384 26.966 172 2HB GLU 25 2HB GLU 25 -11.752 -4.394 27.894 173 1HG GLU 25 1HG GLU 25 -13.861 -2.765 26.737 174 2HG GLU 25 2HG GLU 25 -14.533 -4.055 27.736 175 H LYS 26 H LYS 26 -9.619 -3.463 26.918 176 HA LYS 26 HA LYS 26 -9.873 -0.586 27.320 177 1HB LYS 26 1HB LYS 26 -8.120 -2.817 28.010 178 2HB LYS 26 2HB LYS 26 -7.204 -1.361 27.627 179 1HG LYS 26 1HG LYS 26 -9.262 -0.369 29.173 180 2HG LYS 26 2HG LYS 26 -8.941 -1.930 29.930 181 1HD LYS 26 1HD LYS 26 -7.544 -0.088 30.885 182 2HD LYS 26 2HD LYS 26 -6.577 -1.375 30.164 183 1HE LYS 26 1HE LYS 26 -5.819 -0.021 28.466 184 2HE LYS 26 2HE LYS 26 -7.362 0.844 28.339 185 1HZ LYS 26 1HZ LYS 26 -6.884 1.921 30.457 186 2HZ LYS 26 2HZ LYS 26 -5.399 1.103 30.563 187 3HZ LYS 26 3HZ LYS 26 -5.651 2.250 29.336 188 H ALA 27 H ALA 27 -8.476 -2.680 24.870 189 HA ALA 27 HA ALA 27 -6.702 -0.799 23.633 190 1HB ALA 27 1HB ALA 27 -8.300 -3.113 22.485 191 2HB ALA 27 2HB ALA 27 -6.880 -2.383 21.737 192 3HB ALA 27 3HB ALA 27 -6.724 -3.248 23.267 193 H ALA 28 H ALA 28 -10.108 -0.851 23.837 194 HA ALA 28 HA ALA 28 -10.695 0.395 21.262 195 1HB ALA 28 1HB ALA 28 -12.342 -0.961 22.416 196 2HB ALA 28 2HB ALA 28 -12.212 0.037 23.864 197 3HB ALA 28 3HB ALA 28 -12.934 0.701 22.398 198 H ASP 29 H ASP 29 -9.853 1.500 24.485 199 HA ASP 29 HA ASP 29 -10.655 4.287 23.967 200 1HB ASP 29 1HB ASP 29 -10.427 2.735 26.173 201 2HB ASP 29 2HB ASP 29 -8.852 3.527 26.209 202 H ALA 30 H ALA 30 -7.914 2.313 23.345 203 HA ALA 30 HA ALA 30 -5.986 4.557 23.368 204 1HB ALA 30 1HB ALA 30 -4.402 2.750 22.813 205 2HB ALA 30 2HB ALA 30 -5.750 1.638 22.575 206 3HB ALA 30 3HB ALA 30 -5.413 2.286 24.180 207 H GLY 31 H GLY 31 -6.755 2.060 20.937 208 1HA GLY 31 1HA GLY 31 -6.796 4.204 18.862 209 2HA GLY 31 2HA GLY 31 -7.579 2.633 18.693 210 H LEU 32 H LEU 32 -5.316 1.129 19.760 211 HA LEU 32 HA LEU 32 -2.823 1.567 18.584 212 1HB LEU 32 1HB LEU 32 -4.432 -0.971 18.990 213 2HB LEU 32 2HB LEU 32 -2.708 -0.959 18.616 214 HG LEU 32 HG LEU 32 -3.482 0.827 20.832 215 1HD1 LEU 32 1HD1 LEU 32 -3.893 -2.165 20.969 216 2HD1 LEU 32 2HD1 LEU 32 -3.558 -1.202 22.406 217 3HD1 LEU 32 3HD1 LEU 32 -5.010 -0.890 21.456 218 1HD2 LEU 32 1HD2 LEU 32 -1.158 -0.116 19.884 219 2HD2 LEU 32 2HD2 LEU 32 -1.372 0.291 21.587 220 3HD2 LEU 32 3HD2 LEU 32 -1.496 -1.388 21.059 221 H ASP 33 H ASP 33 -2.003 0.027 16.681 222 HA ASP 33 HA ASP 33 -3.049 0.993 14.226 223 1HB ASP 33 1HB ASP 33 -0.920 -0.567 15.179 224 2HB ASP 33 2HB ASP 33 -1.760 -1.610 14.032 225 H GLY 34 H GLY 34 -4.073 -0.357 12.490 226 1HA GLY 34 1HA GLY 34 -6.085 -1.449 11.868 227 2HA GLY 34 2HA GLY 34 -6.372 -1.822 13.567 228 H GLU 35 H GLU 35 -3.357 -2.568 11.911 229 HA GLU 35 HA GLU 35 -4.053 -5.346 11.358 230 1HB GLU 35 1HB GLU 35 -1.829 -5.434 10.504 231 2HB GLU 35 2HB GLU 35 -2.361 -3.783 10.194 232 1HG GLU 35 1HG GLU 35 -0.501 -3.117 11.293 233 2HG GLU 35 2HG GLU 35 -1.305 -3.657 12.767 234 H ASP 36 H ASP 36 -3.572 -3.794 14.225 235 HA ASP 36 HA ASP 36 -2.167 -6.118 15.500 236 1HB ASP 36 1HB ASP 36 -2.342 -3.158 15.974 237 2HB ASP 36 2HB ASP 36 -2.027 -4.213 17.351 238 H TYR 37 H TYR 37 -4.813 -3.753 16.038 239 HA TYR 37 HA TYR 37 -6.259 -5.885 17.575 240 1HB TYR 37 1HB TYR 37 -5.321 -4.412 19.201 241 2HB TYR 37 2HB TYR 37 -5.714 -2.985 18.242 242 HD1 TYR 37 HD1 TYR 37 -7.612 -6.001 19.439 243 HD2 TYR 37 HD2 TYR 37 -7.429 -1.718 19.170 244 HE1 TYR 37 HE1 TYR 37 -9.804 -5.835 20.585 245 HE2 TYR 37 HE2 TYR 37 -9.622 -1.553 20.316 246 HH TYR 37 HH TYR 37 -11.751 -3.910 20.559 247 H GLY 38 H GLY 38 -8.465 -5.991 17.121 248 1HA GLY 38 1HA GLY 38 -9.434 -4.532 14.793 249 2HA GLY 38 2HA GLY 38 -10.217 -4.020 16.288 250 H THR 39 H THR 39 -12.122 -4.969 14.977 251 HA THR 39 HA THR 39 -12.553 -7.750 15.920 252 HB THR 39 HB THR 39 -14.572 -6.009 14.526 253 HG1 THR 39 HG1 THR 39 -14.147 -4.531 15.948 254 1HG2 THR 39 1HG2 THR 39 -14.571 -8.439 16.009 255 2HG2 THR 39 2HG2 THR 39 -15.430 -7.233 16.968 256 3HG2 THR 39 3HG2 THR 39 -15.955 -7.589 15.322 257 H MET 40 H MET 40 -12.039 -9.353 14.473 258 HA MET 40 HA MET 40 -11.957 -8.791 11.580 259 1HB MET 40 1HB MET 40 -10.609 -10.431 13.387 260 2HB MET 40 2HB MET 40 -11.601 -11.557 12.463 261 1HG MET 40 1HG MET 40 -10.691 -10.721 10.371 262 2HG MET 40 2HG MET 40 -9.812 -9.448 11.218 263 1HE MET 40 1HE MET 40 -10.424 -13.125 10.695 264 2HE MET 40 2HE MET 40 -9.292 -12.633 9.437 265 3HE MET 40 3HE MET 40 -8.796 -13.816 10.645 266 H GLU 41 H GLU 41 -13.532 -9.446 10.132 267 HA GLU 41 HA GLU 41 -15.823 -11.041 11.233 268 1HB GLU 41 1HB GLU 41 -15.565 -8.535 9.779 269 2HB GLU 41 2HB GLU 41 -16.616 -9.661 8.920 270 1HG GLU 41 1HG GLU 41 -17.855 -10.037 11.081 271 2HG GLU 41 2HG GLU 41 -16.889 -8.746 11.797 272 H VAL 42 H VAL 42 -14.877 -13.088 10.566 273 HA VAL 42 HA VAL 42 -14.531 -13.431 7.611 274 HB VAL 42 HB VAL 42 -13.081 -15.245 8.190 275 1HG1 VAL 42 1HG1 VAL 42 -12.332 -12.843 8.756 276 2HG1 VAL 42 2HG1 VAL 42 -12.620 -13.283 10.439 277 3HG1 VAL 42 3HG1 VAL 42 -11.419 -14.161 9.492 278 1HG2 VAL 42 1HG2 VAL 42 -14.725 -15.251 10.640 279 2HG2 VAL 42 2HG2 VAL 42 -13.925 -16.591 9.819 280 3HG2 VAL 42 3HG2 VAL 42 -13.011 -15.554 10.916 281 H ALA 43 H ALA 43 -15.546 -15.309 6.621 282 HA ALA 43 HA ALA 43 -18.182 -15.930 7.722 283 1HB ALA 43 1HB ALA 43 -18.557 -16.814 5.584 284 2HB ALA 43 2HB ALA 43 -17.299 -15.621 5.258 285 3HB ALA 43 3HB ALA 43 -16.880 -17.329 5.398 286 H GLU 44 H GLU 44 -18.877 -18.297 7.859 287 HA GLU 44 HA GLU 44 -17.184 -19.732 9.701 288 1HB GLU 44 1HB GLU 44 -19.762 -19.686 9.356 289 2HB GLU 44 2HB GLU 44 -19.469 -20.892 8.104 290 1HG GLU 44 1HG GLU 44 -18.015 -21.506 10.556 291 2HG GLU 44 2HG GLU 44 -19.753 -21.391 10.837 292 H GLY 45 H GLY 45 -15.344 -20.776 9.061 293 1HA GLY 45 1HA GLY 45 -15.477 -22.451 6.601 294 2HA GLY 45 2HA GLY 45 -14.345 -22.694 7.931 295 H GLU 46 H GLU 46 -14.322 -19.476 7.652 296 HA GLU 46 HA GLU 46 -12.587 -19.254 5.262 297 1HB GLU 46 1HB GLU 46 -14.341 -17.608 6.801 298 2HB GLU 46 2HB GLU 46 -12.736 -16.877 6.859 299 1HG GLU 46 1HG GLU 46 -12.659 -17.241 4.315 300 2HG GLU 46 2HG GLU 46 -14.392 -17.552 4.422 301 H TYR 47 H TYR 47 -10.493 -19.932 5.601 302 HA TYR 47 HA TYR 47 -9.088 -20.313 7.960 303 1HB TYR 47 1HB TYR 47 -8.104 -19.201 5.310 304 2HB TYR 47 2HB TYR 47 -7.079 -19.956 6.529 305 HD1 TYR 47 HD1 TYR 47 -8.615 -22.213 7.484 306 HD2 TYR 47 HD2 TYR 47 -8.281 -20.665 3.491 307 HE1 TYR 47 HE1 TYR 47 -9.181 -24.448 6.569 308 HE2 TYR 47 HE2 TYR 47 -8.847 -22.900 2.577 309 HH TYR 47 HH TYR 47 -8.558 -25.573 3.949 310 H ILE 48 H ILE 48 -8.730 -18.905 9.626 311 HA ILE 48 HA ILE 48 -9.215 -16.191 9.781 312 HB ILE 48 HB ILE 48 -7.198 -18.022 11.069 313 1HG1 ILE 48 1HG1 ILE 48 -9.203 -16.580 12.667 314 2HG1 ILE 48 2HG1 ILE 48 -9.901 -17.608 11.415 315 1HG2 ILE 48 1HG2 ILE 48 -7.382 -15.050 11.273 316 2HG2 ILE 48 2HG2 ILE 48 -7.147 -15.952 12.771 317 3HG2 ILE 48 3HG2 ILE 48 -5.979 -16.102 11.458 318 1HD1 ILE 48 1HD1 ILE 48 -7.690 -18.906 12.824 319 2HD1 ILE 48 2HD1 ILE 48 -9.012 -18.465 13.904 320 3HD1 ILE 48 3HD1 ILE 48 -9.320 -19.500 12.509 321 H LEU 49 H LEU 49 -5.823 -17.314 9.489 322 HA LEU 49 HA LEU 49 -4.589 -14.958 8.754 323 1HB LEU 49 1HB LEU 49 -3.366 -17.011 9.067 324 2HB LEU 49 2HB LEU 49 -4.209 -17.784 7.724 325 HG LEU 49 HG LEU 49 -2.735 -15.255 7.139 326 1HD1 LEU 49 1HD1 LEU 49 -1.466 -17.426 8.467 327 2HD1 LEU 49 2HD1 LEU 49 -0.968 -17.494 6.776 328 3HD1 LEU 49 3HD1 LEU 49 -0.700 -16.026 7.716 329 1HD2 LEU 49 1HD2 LEU 49 -4.109 -17.058 5.636 330 2HD2 LEU 49 2HD2 LEU 49 -2.806 -16.055 4.999 331 3HD2 LEU 49 3HD2 LEU 49 -2.476 -17.713 5.502 332 H GLU 50 H GLU 50 -6.403 -17.128 6.581 333 HA GLU 50 HA GLU 50 -5.897 -15.546 4.194 334 1HB GLU 50 1HB GLU 50 -6.591 -18.062 4.612 335 2HB GLU 50 2HB GLU 50 -8.226 -17.407 4.560 336 1HG GLU 50 1HG GLU 50 -8.020 -17.688 2.308 337 2HG GLU 50 2HG GLU 50 -7.098 -16.186 2.386 338 H ALA 51 H ALA 51 -8.749 -15.958 6.328 339 HA ALA 51 HA ALA 51 -10.559 -14.242 5.059 340 1HB ALA 51 1HB ALA 51 -10.795 -15.730 7.130 341 2HB ALA 51 2HB ALA 51 -10.111 -14.387 8.046 342 3HB ALA 51 3HB ALA 51 -11.641 -14.183 7.194 343 H ALA 52 H ALA 52 -8.264 -13.332 7.626 344 HA ALA 52 HA ALA 52 -8.782 -10.514 7.486 345 1HB ALA 52 1HB ALA 52 -7.459 -12.233 9.132 346 2HB ALA 52 2HB ALA 52 -6.103 -11.463 8.311 347 3HB ALA 52 3HB ALA 52 -7.265 -10.481 9.200 348 H GLU 53 H GLU 53 -6.442 -12.602 5.846 349 HA GLU 53 HA GLU 53 -4.710 -10.706 4.715 350 1HB GLU 53 1HB GLU 53 -4.715 -13.263 4.599 351 2HB GLU 53 2HB GLU 53 -5.854 -13.102 3.264 352 1HG GLU 53 1HG GLU 53 -3.866 -11.304 2.585 353 2HG GLU 53 2HG GLU 53 -2.957 -12.624 3.320 354 H ALA 54 H ALA 54 -7.903 -11.742 3.577 355 HA ALA 54 HA ALA 54 -7.937 -10.223 1.145 356 1HB ALA 54 1HB ALA 54 -9.488 -12.025 1.533 357 2HB ALA 54 2HB ALA 54 -10.068 -11.283 3.024 358 3HB ALA 54 3HB ALA 54 -10.449 -10.548 1.467 359 H GLN 55 H GLN 55 -8.149 -9.276 4.444 360 HA GLN 55 HA GLN 55 -9.551 -6.729 3.822 361 1HB GLN 55 1HB GLN 55 -8.471 -7.870 6.421 362 2HB GLN 55 2HB GLN 55 -9.598 -6.523 6.259 363 1HG GLN 55 1HG GLN 55 -10.125 -9.377 5.371 364 2HG GLN 55 2HG GLN 55 -10.795 -8.611 6.812 365 2HE2 GLN 55 2HE2 GLN 55 -11.701 -9.435 3.765 366 1HE2 GLN 55 1HE2 GLN 55 -12.796 -8.184 3.424 367 H GLY 56 H GLY 56 -6.359 -8.003 4.532 368 1HA GLY 56 1HA GLY 56 -5.285 -5.210 4.442 369 2HA GLY 56 2HA GLY 56 -4.493 -6.558 3.625 370 H TYR 57 H TYR 57 -5.535 -8.070 6.241 371 HA TYR 57 HA TYR 57 -3.757 -7.034 8.316 372 1HB TYR 57 1HB TYR 57 -5.442 -9.522 7.928 373 2HB TYR 57 2HB TYR 57 -4.509 -9.230 9.397 374 HD1 TYR 57 HD1 TYR 57 -4.772 -6.552 10.134 375 HD2 TYR 57 HD2 TYR 57 -7.693 -8.999 8.150 376 HE1 TYR 57 HE1 TYR 57 -6.581 -5.090 10.992 377 HE2 TYR 57 HE2 TYR 57 -9.502 -7.538 9.010 378 HH TYR 57 HH TYR 57 -9.139 -4.580 10.043 379 H ASP 58 H ASP 58 -1.942 -8.325 9.206 380 HA ASP 58 HA ASP 58 -0.631 -10.064 7.137 381 1HB ASP 58 1HB ASP 58 0.122 -7.549 8.209 382 2HB ASP 58 2HB ASP 58 1.222 -8.737 8.910 383 H TRP 59 H TRP 59 0.113 -12.028 7.906 384 HA TRP 59 HA TRP 59 0.274 -12.421 10.875 385 1HB TRP 59 1HB TRP 59 -0.905 -14.375 8.878 386 2HB TRP 59 2HB TRP 59 -0.981 -14.470 10.638 387 HD1 TRP 59 HD1 TRP 59 -2.079 -12.001 7.865 388 HE1 TRP 59 HE1 TRP 59 -4.333 -10.977 8.560 389 HE3 TRP 59 HE3 TRP 59 -2.708 -14.240 12.411 390 HZ2 TRP 59 HZ2 TRP 59 -6.171 -11.090 10.746 391 HZ3 TRP 59 HZ3 TRP 59 -4.722 -13.767 13.775 392 HH2 TRP 59 HH2 TRP 59 -6.453 -12.195 12.947 393 HA PRO 60 HA PRO 60 4.096 -14.356 9.815 394 1HB PRO 60 1HB PRO 60 4.450 -15.875 12.064 395 2HB PRO 60 2HB PRO 60 4.682 -14.117 12.044 396 1HG PRO 60 1HG PRO 60 2.372 -15.720 13.026 397 2HG PRO 60 2HG PRO 60 3.087 -14.247 13.695 398 1HD PRO 60 1HD PRO 60 0.780 -14.300 12.210 399 2HD PRO 60 2HD PRO 60 1.848 -12.887 12.334 400 H PHE 61 H PHE 61 4.559 -16.214 8.631 401 HA PHE 61 HA PHE 61 3.217 -18.764 9.250 402 1HB PHE 61 1HB PHE 61 2.044 -18.859 7.112 403 2HB PHE 61 2HB PHE 61 1.579 -17.378 7.950 404 HD1 PHE 61 HD1 PHE 61 3.950 -18.721 5.390 405 HD2 PHE 61 HD2 PHE 61 1.920 -15.269 6.945 406 HE1 PHE 61 HE1 PHE 61 4.757 -17.379 3.468 407 HE2 PHE 61 HE2 PHE 61 2.728 -13.927 5.022 408 HZ PHE 61 HZ PHE 61 4.147 -14.982 3.283 409 H SER 62 H SER 62 4.237 -20.532 8.183 410 HA SER 62 HA SER 62 6.507 -19.905 6.355 411 1HB SER 62 1HB SER 62 8.043 -20.398 7.942 412 2HB SER 62 2HB SER 62 6.729 -20.371 9.119 413 HG SER 62 HG SER 62 7.922 -22.356 9.084 414 H CYS 63 H CYS 63 5.069 -22.659 8.145 415 HA CYS 63 HA CYS 63 5.550 -24.478 5.922 416 1HB CYS 63 1HB CYS 63 5.007 -26.090 7.501 417 2HB CYS 63 2HB CYS 63 5.480 -24.759 8.552 418 H ARG 64 H ARG 64 2.814 -22.559 7.037 419 HA ARG 64 HA ARG 64 0.625 -22.320 6.163 420 1HB ARG 64 1HB ARG 64 2.562 -22.708 3.920 421 2HB ARG 64 2HB ARG 64 0.845 -22.636 3.524 422 1HG ARG 64 1HG ARG 64 0.626 -20.441 4.275 423 2HG ARG 64 2HG ARG 64 2.005 -20.570 5.367 424 1HD ARG 64 1HD ARG 64 3.303 -19.628 3.764 425 2HD ARG 64 2HD ARG 64 2.977 -21.023 2.719 426 HE ARG 64 HE ARG 64 1.224 -18.591 2.849 427 1HH1 ARG 64 1HH1 ARG 64 -0.543 -20.142 1.563 428 2HH1 ARG 64 2HH1 ARG 64 0.009 -20.378 -0.063 429 1HH2 ARG 64 1HH2 ARG 64 3.268 -19.415 0.619 430 2HH2 ARG 64 2HH2 ARG 64 2.164 -19.965 -0.596 431 H ALA 65 H ALA 65 1.342 -25.099 7.032 432 HA ALA 65 HA ALA 65 -0.710 -26.551 5.435 433 1HB ALA 65 1HB ALA 65 1.846 -27.827 6.414 434 2HB ALA 65 2HB ALA 65 0.742 -28.407 5.168 435 3HB ALA 65 3HB ALA 65 1.770 -27.010 4.853 436 H GLY 66 H GLY 66 0.175 -25.445 8.436 437 1HA GLY 66 1HA GLY 66 -1.706 -27.227 9.774 438 2HA GLY 66 2HA GLY 66 -0.829 -25.900 10.529 439 H ALA 67 H ALA 67 1.824 -26.791 9.818 440 HA ALA 67 HA ALA 67 2.008 -29.250 11.521 441 1HB ALA 67 1HB ALA 67 2.446 -29.847 9.237 442 2HB ALA 67 2HB ALA 67 4.014 -29.766 10.040 443 3HB ALA 67 3HB ALA 67 3.484 -28.440 9.005 444 H CYS 68 H CYS 68 2.655 -26.017 11.559 445 HA CYS 68 HA CYS 68 4.991 -26.444 13.362 446 1HB CYS 68 1HB CYS 68 6.366 -25.011 12.164 447 2HB CYS 68 2HB CYS 68 5.421 -25.696 10.849 448 H ALA 69 H ALA 69 5.446 -23.957 14.317 449 HA ALA 69 HA ALA 69 2.744 -23.017 15.241 450 1HB ALA 69 1HB ALA 69 5.293 -22.942 16.851 451 2HB ALA 69 2HB ALA 69 3.628 -22.904 17.433 452 3HB ALA 69 3HB ALA 69 4.300 -24.397 16.779 453 H ASN 70 H ASN 70 5.118 -22.019 13.284 454 HA ASN 70 HA ASN 70 6.061 -19.528 14.241 455 1HB ASN 70 1HB ASN 70 5.542 -20.845 11.615 456 2HB ASN 70 2HB ASN 70 5.844 -19.107 11.592 457 2HD2 ASN 70 2HD2 ASN 70 7.627 -21.387 10.676 458 1HD2 ASN 70 1HD2 ASN 70 9.076 -21.181 11.536 459 H CYS 71 H CYS 71 3.003 -20.351 12.608 460 HA CYS 71 HA CYS 71 2.091 -17.540 12.675 461 1HB CYS 71 1HB CYS 71 0.287 -18.399 11.342 462 2HB CYS 71 2HB CYS 71 1.727 -19.269 10.814 463 H ALA 72 H ALA 72 2.472 -19.605 15.068 464 HA ALA 72 HA ALA 72 0.149 -20.309 16.359 465 1HB ALA 72 1HB ALA 72 2.207 -20.764 17.400 466 2HB ALA 72 2HB ALA 72 1.498 -19.545 18.459 467 3HB ALA 72 3HB ALA 72 2.737 -19.086 17.291 468 H SER 73 H SER 73 -1.216 -19.266 17.928 469 HA SER 73 HA SER 73 -1.304 -16.281 17.916 470 1HB SER 73 1HB SER 73 -3.058 -18.148 16.552 471 2HB SER 73 2HB SER 73 -3.960 -17.225 17.754 472 HG SER 73 HG SER 73 -3.923 -16.056 15.864 473 H ILE 74 H ILE 74 -3.625 -16.010 19.425 474 HA ILE 74 HA ILE 74 -3.378 -17.845 21.755 475 HB ILE 74 HB ILE 74 -3.027 -14.832 21.865 476 1HG1 ILE 74 1HG1 ILE 74 -1.047 -16.090 21.007 477 2HG1 ILE 74 2HG1 ILE 74 -0.742 -15.326 22.563 478 1HG2 ILE 74 1HG2 ILE 74 -3.658 -16.878 23.880 479 2HG2 ILE 74 2HG2 ILE 74 -2.283 -15.859 24.303 480 3HG2 ILE 74 3HG2 ILE 74 -3.851 -15.128 23.957 481 1HD1 ILE 74 1HD1 ILE 74 -1.636 -18.208 22.277 482 2HD1 ILE 74 2HD1 ILE 74 0.055 -17.723 22.395 483 3HD1 ILE 74 3HD1 ILE 74 -1.047 -17.409 23.734 484 H VAL 75 H VAL 75 -5.587 -18.214 20.553 485 HA VAL 75 HA VAL 75 -7.721 -16.429 20.457 486 HB VAL 75 HB VAL 75 -7.760 -18.784 19.736 487 1HG1 VAL 75 1HG1 VAL 75 -6.594 -19.358 22.102 488 2HG1 VAL 75 2HG1 VAL 75 -8.266 -19.754 22.500 489 3HG1 VAL 75 3HG1 VAL 75 -7.464 -20.562 21.152 490 1HG2 VAL 75 1HG2 VAL 75 -9.838 -17.996 21.795 491 2HG2 VAL 75 2HG2 VAL 75 -9.924 -17.777 20.047 492 3HG2 VAL 75 3HG2 VAL 75 -10.007 -19.398 20.738 493 H LYS 76 H LYS 76 -8.201 -14.948 22.071 494 HA LYS 76 HA LYS 76 -7.798 -15.601 24.904 495 1HB LYS 76 1HB LYS 76 -7.732 -13.346 23.363 496 2HB LYS 76 2HB LYS 76 -9.326 -13.197 24.105 497 1HG LYS 76 1HG LYS 76 -7.313 -14.059 26.033 498 2HG LYS 76 2HG LYS 76 -6.888 -12.517 25.289 499 1HD LYS 76 1HD LYS 76 -8.255 -11.735 26.975 500 2HD LYS 76 2HD LYS 76 -9.482 -12.028 25.744 501 1HE LYS 76 1HE LYS 76 -10.486 -13.502 27.144 502 2HE LYS 76 2HE LYS 76 -9.020 -14.502 27.110 503 1HZ LYS 76 1HZ LYS 76 -9.089 -12.029 28.716 504 2HZ LYS 76 2HZ LYS 76 -9.780 -13.449 29.342 505 3HZ LYS 76 3HZ LYS 76 -8.132 -13.416 28.930 506 H GLU 77 H GLU 77 -10.424 -15.819 22.641 507 HA GLU 77 HA GLU 77 -12.174 -16.947 24.697 508 1HB GLU 77 1HB GLU 77 -12.122 -14.258 24.656 509 2HB GLU 77 2HB GLU 77 -13.316 -14.524 23.385 510 1HG GLU 77 1HG GLU 77 -14.008 -16.311 25.449 511 2HG GLU 77 2HG GLU 77 -13.617 -14.791 26.256 512 H GLY 78 H GLY 78 -14.239 -17.702 23.736 513 1HA GLY 78 1HA GLY 78 -14.494 -17.571 20.807 514 2HA GLY 78 2HA GLY 78 -15.630 -18.342 21.912 515 H GLU 79 H GLU 79 -14.989 -19.765 19.689 516 HA GLU 79 HA GLU 79 -12.920 -21.742 20.583 517 1HB GLU 79 1HB GLU 79 -14.972 -22.717 21.227 518 2HB GLU 79 2HB GLU 79 -15.817 -22.086 19.815 519 1HG GLU 79 1HG GLU 79 -14.801 -23.670 18.366 520 2HG GLU 79 2HG GLU 79 -13.567 -24.086 19.556 521 H ILE 80 H ILE 80 -11.784 -22.734 18.865 522 HA ILE 80 HA ILE 80 -12.530 -21.915 16.083 523 HB ILE 80 HB ILE 80 -9.723 -21.864 17.218 524 1HG1 ILE 80 1HG1 ILE 80 -11.676 -19.560 16.937 525 2HG1 ILE 80 2HG1 ILE 80 -11.173 -20.282 18.465 526 1HG2 ILE 80 1HG2 ILE 80 -11.011 -20.620 14.770 527 2HG2 ILE 80 2HG2 ILE 80 -9.331 -20.394 15.254 528 3HG2 ILE 80 3HG2 ILE 80 -9.903 -21.993 14.774 529 1HD1 ILE 80 1HD1 ILE 80 -9.040 -19.356 16.583 530 2HD1 ILE 80 2HD1 ILE 80 -9.940 -18.133 17.480 531 3HD1 ILE 80 3HD1 ILE 80 -9.045 -19.382 18.347 532 H ASP 81 H ASP 81 -12.265 -23.584 14.609 533 HA ASP 81 HA ASP 81 -11.111 -26.140 15.654 534 1HB ASP 81 1HB ASP 81 -13.481 -25.372 14.242 535 2HB ASP 81 2HB ASP 81 -12.539 -26.429 13.192 536 H MET 82 H MET 82 -9.666 -27.339 14.279 537 HA MET 82 HA MET 82 -8.560 -25.846 11.929 538 1HB MET 82 1HB MET 82 -6.298 -26.487 12.802 539 2HB MET 82 2HB MET 82 -7.170 -25.408 13.891 540 1HG MET 82 1HG MET 82 -7.485 -27.044 15.478 541 2HG MET 82 2HG MET 82 -7.581 -28.334 14.280 542 1HE MET 82 1HE MET 82 -6.155 -27.161 17.002 543 2HE MET 82 2HE MET 82 -5.598 -28.832 17.028 544 3HE MET 82 3HE MET 82 -4.423 -27.520 17.069 545 H ASP 83 H ASP 83 -6.808 -27.507 10.894 546 HA ASP 83 HA ASP 83 -8.275 -29.721 9.840 547 1HB ASP 83 1HB ASP 83 -6.022 -28.342 9.222 548 2HB ASP 83 2HB ASP 83 -5.304 -29.807 9.893 549 H MET 84 H MET 84 -7.807 -32.034 10.167 550 HA MET 84 HA MET 84 -7.703 -32.820 12.927 551 1HB MET 84 1HB MET 84 -7.278 -34.384 10.359 552 2HB MET 84 2HB MET 84 -7.665 -35.089 11.929 553 1HG MET 84 1HG MET 84 -9.859 -34.568 11.734 554 2HG MET 84 2HG MET 84 -9.501 -32.937 11.164 555 1HE MET 84 1HE MET 84 -11.033 -35.830 10.796 556 2HE MET 84 2HE MET 84 -12.003 -35.028 9.563 557 3HE MET 84 3HE MET 84 -11.037 -36.450 9.147 558 H GLN 85 H GLN 85 -5.565 -31.511 13.283 559 HA GLN 85 HA GLN 85 -3.401 -33.354 13.697 560 1HB GLN 85 1HB GLN 85 -1.882 -32.246 11.947 561 2HB GLN 85 2HB GLN 85 -3.132 -33.321 11.321 562 1HG GLN 85 1HG GLN 85 -4.495 -31.517 10.627 563 2HG GLN 85 2HG GLN 85 -3.628 -30.361 11.638 564 2HE2 GLN 85 2HE2 GLN 85 -2.007 -32.798 9.608 565 1HE2 GLN 85 1HE2 GLN 85 -1.313 -31.684 8.531 566 H GLN 86 H GLN 86 -2.064 -32.444 15.238 567 HA GLN 86 HA GLN 86 -1.952 -29.462 15.446 568 1HB GLN 86 1HB GLN 86 -3.719 -30.506 16.923 569 2HB GLN 86 2HB GLN 86 -2.428 -31.378 17.749 570 1HG GLN 86 1HG GLN 86 -1.376 -29.283 18.412 571 2HG GLN 86 2HG GLN 86 -2.552 -28.360 17.475 572 2HE2 GLN 86 2HE2 GLN 86 -1.922 -29.677 20.575 573 1HE2 GLN 86 1HE2 GLN 86 -3.477 -29.486 21.228 574 H ILE 87 H ILE 87 0.160 -28.840 15.611 575 HA ILE 87 HA ILE 87 2.252 -30.851 16.139 576 HB ILE 87 HB ILE 87 2.475 -29.226 14.325 577 1HG1 ILE 87 1HG1 ILE 87 4.663 -28.279 14.904 578 2HG1 ILE 87 2HG1 ILE 87 4.341 -28.543 16.619 579 1HG2 ILE 87 1HG2 ILE 87 1.981 -27.265 16.563 580 2HG2 ILE 87 2HG2 ILE 87 2.816 -26.768 15.091 581 3HG2 ILE 87 3HG2 ILE 87 1.166 -27.383 15.003 582 1HD1 ILE 87 1HD1 ILE 87 3.951 -30.953 14.993 583 2HD1 ILE 87 2HD1 ILE 87 5.603 -30.341 14.933 584 3HD1 ILE 87 3HD1 ILE 87 4.867 -30.743 16.485 585 H LEU 88 H LEU 88 0.720 -28.127 17.767 586 HA LEU 88 HA LEU 88 2.725 -27.993 19.909 587 1HB LEU 88 1HB LEU 88 0.241 -26.623 19.037 588 2HB LEU 88 2HB LEU 88 0.557 -26.589 20.771 589 HG LEU 88 HG LEU 88 2.904 -26.026 19.062 590 1HD1 LEU 88 1HD1 LEU 88 0.481 -24.216 19.157 591 2HD1 LEU 88 2HD1 LEU 88 2.099 -23.620 18.787 592 3HD1 LEU 88 3HD1 LEU 88 1.333 -24.805 17.729 593 1HD2 LEU 88 1HD2 LEU 88 1.635 -24.860 21.551 594 2HD2 LEU 88 2HD2 LEU 88 3.125 -25.797 21.435 595 3HD2 LEU 88 3HD2 LEU 88 3.065 -24.156 20.795 596 H SER 89 H SER 89 1.443 -27.919 22.240 597 HA SER 89 HA SER 89 0.306 -30.662 22.535 598 1HB SER 89 1HB SER 89 1.005 -30.395 24.858 599 2HB SER 89 2HB SER 89 2.335 -29.905 23.809 600 HG SER 89 HG SER 89 1.932 -28.398 25.489 601 H ASP 90 H ASP 90 -1.590 -30.923 23.953 602 HA ASP 90 HA ASP 90 -3.737 -29.134 23.403 603 1HB ASP 90 1HB ASP 90 -3.792 -31.577 24.072 604 2HB ASP 90 2HB ASP 90 -3.454 -31.063 25.724 605 H GLU 91 H GLU 91 -1.541 -29.368 26.178 606 HA GLU 91 HA GLU 91 -2.858 -27.597 27.965 607 1HB GLU 91 1HB GLU 91 -0.446 -29.028 27.750 608 2HB GLU 91 2HB GLU 91 0.039 -27.349 27.976 609 1HG GLU 91 1HG GLU 91 -2.154 -28.437 29.701 610 2HG GLU 91 2HG GLU 91 -0.493 -28.906 30.065 611 H GLU 92 H GLU 92 -0.816 -26.957 25.153 612 HA GLU 92 HA GLU 92 -0.436 -24.132 25.680 613 1HB GLU 92 1HB GLU 92 -0.050 -26.082 23.446 614 2HB GLU 92 2HB GLU 92 -0.035 -24.365 23.043 615 1HG GLU 92 1HG GLU 92 1.518 -24.713 25.412 616 2HG GLU 92 2HG GLU 92 2.049 -25.919 24.241 617 H VAL 93 H VAL 93 -2.853 -26.045 23.932 618 HA VAL 93 HA VAL 93 -4.181 -23.781 22.692 619 HB VAL 93 HB VAL 93 -4.973 -26.643 23.319 620 1HG1 VAL 93 1HG1 VAL 93 -6.881 -24.915 23.001 621 2HG1 VAL 93 2HG1 VAL 93 -6.341 -24.841 21.324 622 3HG1 VAL 93 3HG1 VAL 93 -6.913 -26.366 21.998 623 1HG2 VAL 93 1HG2 VAL 93 -3.845 -25.210 20.910 624 2HG2 VAL 93 2HG2 VAL 93 -3.198 -26.626 21.739 625 3HG2 VAL 93 3HG2 VAL 93 -4.661 -26.766 20.764 626 H GLU 94 H GLU 94 -4.486 -25.484 25.769 627 HA GLU 94 HA GLU 94 -6.925 -23.941 26.480 628 1HB GLU 94 1HB GLU 94 -5.804 -26.497 27.049 629 2HB GLU 94 2HB GLU 94 -5.873 -25.612 28.573 630 1HG GLU 94 1HG GLU 94 -8.291 -24.970 27.778 631 2HG GLU 94 2HG GLU 94 -8.119 -26.374 26.722 632 H GLU 95 H GLU 95 -3.495 -24.210 27.302 633 HA GLU 95 HA GLU 95 -3.753 -22.267 29.522 634 1HB GLU 95 1HB GLU 95 -2.255 -24.398 29.322 635 2HB GLU 95 2HB GLU 95 -1.205 -23.371 28.347 636 1HG GLU 95 1HG GLU 95 -0.376 -23.129 30.557 637 2HG GLU 95 2HG GLU 95 -1.354 -21.684 30.295 638 H LYS 96 H LYS 96 -1.744 -22.482 26.553 639 HA LYS 96 HA LYS 96 -1.287 -19.573 26.587 640 1HB LYS 96 1HB LYS 96 -0.536 -21.708 24.565 641 2HB LYS 96 2HB LYS 96 0.205 -20.115 24.737 642 1HG LYS 96 1HG LYS 96 0.197 -22.251 26.890 643 2HG LYS 96 2HG LYS 96 1.552 -21.928 25.808 644 1HD LYS 96 1HD LYS 96 1.407 -19.495 26.638 645 2HD LYS 96 2HD LYS 96 0.378 -20.121 27.926 646 1HE LYS 96 1HE LYS 96 2.791 -21.739 27.584 647 2HE LYS 96 2HE LYS 96 3.162 -20.050 27.982 648 1HZ LYS 96 1HZ LYS 96 1.029 -21.574 29.370 649 2HZ LYS 96 2HZ LYS 96 2.635 -21.588 29.922 650 3HZ LYS 96 3HZ LYS 96 1.772 -20.126 29.859 651 H ASP 97 H ASP 97 -3.671 -21.662 25.354 652 HA ASP 97 HA ASP 97 -5.452 -21.307 23.838 653 1HB ASP 97 1HB ASP 97 -4.737 -18.394 23.766 654 2HB ASP 97 2HB ASP 97 -6.319 -19.152 23.934 655 H VAL 98 H VAL 98 -2.670 -21.750 22.823 656 HA VAL 98 HA VAL 98 -2.554 -20.076 20.391 657 HB VAL 98 HB VAL 98 -0.817 -22.291 21.526 658 1HG1 VAL 98 1HG1 VAL 98 -0.640 -20.649 19.016 659 2HG1 VAL 98 2HG1 VAL 98 0.840 -21.153 19.830 660 3HG1 VAL 98 3HG1 VAL 98 -0.301 -22.364 19.248 661 1HG2 VAL 98 1HG2 VAL 98 -0.961 -20.078 22.763 662 2HG2 VAL 98 2HG2 VAL 98 0.656 -20.519 22.215 663 3HG2 VAL 98 3HG2 VAL 98 -0.278 -19.316 21.326 664 H ARG 99 H ARG 99 -2.276 -21.184 18.263 665 HA ARG 99 HA ARG 99 -3.144 -23.934 17.908 666 1HB ARG 99 1HB ARG 99 -5.334 -23.299 16.853 667 2HB ARG 99 2HB ARG 99 -5.264 -22.913 18.572 668 1HG ARG 99 1HG ARG 99 -5.250 -20.652 18.202 669 2HG ARG 99 2HG ARG 99 -4.312 -20.797 16.715 670 1HD ARG 99 1HD ARG 99 -6.721 -20.054 16.368 671 2HD ARG 99 2HD ARG 99 -6.282 -21.526 15.480 672 HE ARG 99 HE ARG 99 -7.944 -21.419 17.947 673 1HH1 ARG 99 1HH1 ARG 99 -7.480 -22.865 14.969 674 2HH1 ARG 99 2HH1 ARG 99 -7.824 -24.479 15.494 675 1HH2 ARG 99 1HH2 ARG 99 -7.899 -23.654 18.860 676 2HH2 ARG 99 2HH2 ARG 99 -8.061 -24.925 17.694 677 H LEU 100 H LEU 100 -4.353 -23.398 15.288 678 HA LEU 100 HA LEU 100 -1.901 -22.468 13.838 679 1HB LEU 100 1HB LEU 100 -4.123 -24.268 12.838 680 2HB LEU 100 2HB LEU 100 -2.499 -24.086 12.172 681 HG LEU 100 HG LEU 100 -3.029 -25.118 14.972 682 1HD1 LEU 100 1HD1 LEU 100 -4.011 -26.542 13.088 683 2HD1 LEU 100 2HD1 LEU 100 -2.351 -26.786 12.544 684 3HD1 LEU 100 3HD1 LEU 100 -2.847 -27.346 14.141 685 1HD2 LEU 100 1HD2 LEU 100 -0.724 -24.166 13.796 686 2HD2 LEU 100 2HD2 LEU 100 -0.773 -25.300 15.145 687 3HD2 LEU 100 3HD2 LEU 100 -0.608 -25.899 13.495 688 H THR 101 H THR 101 -2.249 -20.393 13.116 689 HA THR 101 HA THR 101 -4.944 -19.387 12.546 690 HB THR 101 HB THR 101 -3.611 -17.321 12.008 691 HG1 THR 101 HG1 THR 101 -1.677 -17.829 11.349 692 1HG2 THR 101 1HG2 THR 101 -2.908 -18.765 14.579 693 2HG2 THR 101 2HG2 THR 101 -2.717 -17.033 14.308 694 3HG2 THR 101 3HG2 THR 101 -4.326 -17.753 14.308 695 H CYS 102 H CYS 102 -2.240 -20.680 10.714 696 HA CYS 102 HA CYS 102 -3.110 -19.634 8.135 697 1HB CYS 102 1HB CYS 102 -1.340 -21.164 7.322 698 2HB CYS 102 2HB CYS 102 -0.777 -20.213 8.696 699 H ILE 103 H ILE 103 -3.612 -22.640 9.954 700 HA ILE 103 HA ILE 103 -5.507 -23.514 7.795 701 HB ILE 103 HB ILE 103 -4.759 -25.780 8.211 702 1HG1 ILE 103 1HG1 ILE 103 -2.611 -25.251 10.083 703 2HG1 ILE 103 2HG1 ILE 103 -4.162 -24.779 10.775 704 1HG2 ILE 103 1HG2 ILE 103 -3.064 -23.706 7.309 705 2HG2 ILE 103 2HG2 ILE 103 -2.062 -24.749 8.317 706 3HG2 ILE 103 3HG2 ILE 103 -2.934 -25.426 6.941 707 1HD1 ILE 103 1HD1 ILE 103 -4.002 -27.396 9.334 708 2HD1 ILE 103 2HD1 ILE 103 -3.288 -27.291 10.942 709 3HD1 ILE 103 3HD1 ILE 103 -5.001 -26.937 10.713 710 H GLY 104 H GLY 104 -6.090 -21.932 10.238 711 1HA GLY 104 1HA GLY 104 -7.077 -22.565 12.482 712 2HA GLY 104 2HA GLY 104 -7.833 -23.919 11.641 713 H SER 105 H SER 105 -9.979 -23.248 12.068 714 HA SER 105 HA SER 105 -10.794 -20.627 10.861 715 1HB SER 105 1HB SER 105 -11.654 -21.957 9.223 716 2HB SER 105 2HB SER 105 -11.511 -23.410 10.212 717 HG SER 105 HG SER 105 -13.571 -21.492 10.152 718 HA PRO 106 HA PRO 106 -12.920 -20.141 14.685 719 1HB PRO 106 1HB PRO 106 -14.735 -18.240 13.921 720 2HB PRO 106 2HB PRO 106 -13.016 -17.888 14.183 721 1HG PRO 106 1HG PRO 106 -14.501 -18.322 11.637 722 2HG PRO 106 2HG PRO 106 -13.203 -17.177 12.003 723 1HD PRO 106 1HD PRO 106 -12.831 -19.523 10.642 724 2HD PRO 106 2HD PRO 106 -11.563 -18.719 11.592 725 H ALA 107 H ALA 107 -14.868 -20.855 15.675 726 HA ALA 107 HA ALA 107 -16.915 -22.043 13.830 727 1HB ALA 107 1HB ALA 107 -17.053 -23.874 15.513 728 2HB ALA 107 2HB ALA 107 -15.771 -23.092 16.439 729 3HB ALA 107 3HB ALA 107 -15.434 -23.730 14.830 730 H ALA 108 H ALA 108 -16.272 -20.024 16.557 731 HA ALA 108 HA ALA 108 -19.119 -20.128 17.454 732 1HB ALA 108 1HB ALA 108 -16.967 -20.308 18.934 733 2HB ALA 108 2HB ALA 108 -18.288 -19.280 19.489 734 3HB ALA 108 3HB ALA 108 -16.875 -18.561 18.717 735 H ASP 109 H ASP 109 -20.204 -18.009 17.815 736 HA ASP 109 HA ASP 109 -20.090 -16.270 15.557 737 1HB ASP 109 1HB ASP 109 -22.044 -16.575 17.016 738 2HB ASP 109 2HB ASP 109 -21.164 -15.867 18.370 739 H GLU 110 H GLU 110 -19.565 -15.024 18.849 740 HA GLU 110 HA GLU 110 -17.530 -13.147 17.786 741 1HB GLU 110 1HB GLU 110 -19.491 -13.289 19.925 742 2HB GLU 110 2HB GLU 110 -17.916 -12.809 20.557 743 1HG GLU 110 1HG GLU 110 -17.791 -10.925 19.122 744 2HG GLU 110 2HG GLU 110 -19.079 -11.531 18.080 745 H VAL 111 H VAL 111 -15.380 -13.669 17.941 746 HA VAL 111 HA VAL 111 -14.517 -15.461 20.188 747 HB VAL 111 HB VAL 111 -13.538 -15.471 17.316 748 1HG1 VAL 111 1HG1 VAL 111 -13.073 -17.376 19.633 749 2HG1 VAL 111 2HG1 VAL 111 -12.472 -17.598 17.990 750 3HG1 VAL 111 3HG1 VAL 111 -11.885 -16.254 18.971 751 1HG2 VAL 111 1HG2 VAL 111 -15.905 -16.606 18.518 752 2HG2 VAL 111 2HG2 VAL 111 -15.375 -16.683 16.837 753 3HG2 VAL 111 3HG2 VAL 111 -14.826 -17.898 17.991 754 H LYS 112 H LYS 112 -12.277 -15.119 20.851 755 HA LYS 112 HA LYS 112 -11.129 -12.488 19.967 756 1HB LYS 112 1HB LYS 112 -11.088 -13.705 22.746 757 2HB LYS 112 2HB LYS 112 -10.580 -12.078 22.296 758 1HG LYS 112 1HG LYS 112 -13.387 -12.975 21.693 759 2HG LYS 112 2HG LYS 112 -12.972 -12.452 23.326 760 1HD LYS 112 1HD LYS 112 -11.895 -10.630 21.332 761 2HD LYS 112 2HD LYS 112 -13.642 -10.796 21.167 762 1HE LYS 112 1HE LYS 112 -12.320 -10.300 23.850 763 2HE LYS 112 2HE LYS 112 -12.877 -8.983 22.801 764 1HZ LYS 112 1HZ LYS 112 -14.653 -11.270 23.321 765 2HZ LYS 112 2HZ LYS 112 -14.508 -10.065 24.508 766 3HZ LYS 112 3HZ LYS 112 -15.055 -9.663 22.951 767 H ILE 113 H ILE 113 -8.943 -12.580 19.462 768 HA ILE 113 HA ILE 113 -7.215 -14.696 20.532 769 HB ILE 113 HB ILE 113 -8.419 -15.856 18.743 770 1HG1 ILE 113 1HG1 ILE 113 -5.955 -15.405 17.232 771 2HG1 ILE 113 2HG1 ILE 113 -5.652 -15.628 18.956 772 1HG2 ILE 113 1HG2 ILE 113 -8.529 -13.368 17.558 773 2HG2 ILE 113 2HG2 ILE 113 -7.336 -14.203 16.563 774 3HG2 ILE 113 3HG2 ILE 113 -8.950 -14.884 16.760 775 1HD1 ILE 113 1HD1 ILE 113 -7.607 -17.545 18.254 776 2HD1 ILE 113 2HD1 ILE 113 -6.390 -17.599 16.978 777 3HD1 ILE 113 3HD1 ILE 113 -5.916 -17.844 18.659 778 H VAL 114 H VAL 114 -5.051 -14.109 20.399 779 HA VAL 114 HA VAL 114 -4.482 -11.398 19.320 780 HB VAL 114 HB VAL 114 -2.747 -13.323 20.896 781 1HG1 VAL 114 1HG1 VAL 114 -1.815 -11.232 19.630 782 2HG1 VAL 114 2HG1 VAL 114 -2.585 -10.323 20.932 783 3HG1 VAL 114 3HG1 VAL 114 -1.333 -11.509 21.303 784 1HG2 VAL 114 1HG2 VAL 114 -5.037 -11.642 21.683 785 2HG2 VAL 114 2HG2 VAL 114 -4.301 -13.004 22.527 786 3HG2 VAL 114 3HG2 VAL 114 -3.590 -11.397 22.662 787 H TYR 115 H TYR 115 -3.317 -11.142 17.427 788 HA TYR 115 HA TYR 115 -2.432 -13.597 16.025 789 1HB TYR 115 1HB TYR 115 -2.889 -12.392 14.126 790 2HB TYR 115 2HB TYR 115 -3.850 -11.433 15.244 791 HD1 TYR 115 HD1 TYR 115 -2.402 -9.544 16.542 792 HD2 TYR 115 HD2 TYR 115 -1.440 -11.258 12.722 793 HE1 TYR 115 HE1 TYR 115 -1.027 -7.558 15.999 794 HE2 TYR 115 HE2 TYR 115 -0.061 -9.270 12.180 795 HH TYR 115 HH TYR 115 -0.239 -6.400 13.855 796 H ASN 116 H ASN 116 -0.293 -13.611 14.961 797 HA ASN 116 HA ASN 116 2.046 -13.293 14.927 798 1HB ASN 116 1HB ASN 116 0.838 -10.751 15.636 799 2HB ASN 116 2HB ASN 116 2.392 -10.942 16.439 800 2HD2 ASN 116 2HD2 ASN 116 4.280 -10.780 15.148 801 1HD2 ASN 116 1HD2 ASN 116 4.252 -10.561 13.465 802 H ALA 117 H ALA 117 1.005 -14.989 16.904 803 HA ALA 117 HA ALA 117 1.919 -14.311 19.568 804 1HB ALA 117 1HB ALA 117 1.465 -16.701 19.969 805 2HB ALA 117 2HB ALA 117 0.174 -15.989 19.003 806 3HB ALA 117 3HB ALA 117 1.406 -16.988 18.232 807 H LYS 118 H LYS 118 3.500 -15.476 16.703 808 HA LYS 118 HA LYS 118 5.650 -16.991 17.570 809 1HB LYS 118 1HB LYS 118 6.870 -15.914 15.702 810 2HB LYS 118 2HB LYS 118 5.200 -16.252 15.250 811 1HG LYS 118 1HG LYS 118 4.558 -13.976 15.521 812 2HG LYS 118 2HG LYS 118 6.041 -13.582 16.390 813 1HD LYS 118 1HD LYS 118 5.903 -14.440 13.483 814 2HD LYS 118 2HD LYS 118 6.104 -12.779 14.038 815 1HE LYS 118 1HE LYS 118 8.167 -13.638 15.332 816 2HE LYS 118 2HE LYS 118 8.036 -15.091 14.320 817 H HIS 119 H HIS 119 4.998 -13.618 18.258 818 HA HIS 119 HA HIS 119 7.573 -12.729 19.063 819 1HB HIS 119 1HB HIS 119 4.744 -12.090 19.941 820 2HB HIS 119 2HB HIS 119 6.140 -11.169 20.500 821 HD1 HIS 119 HD1 HIS 119 7.809 -10.650 18.161 822 HD2 HIS 119 HD2 HIS 119 3.656 -10.748 17.787 823 HE1 HIS 119 HE1 HIS 119 7.249 -9.384 16.041 824 H LEU 120 H LEU 120 5.219 -14.795 20.673 825 HA LEU 120 HA LEU 120 5.870 -14.693 23.358 826 1HB LEU 120 1HB LEU 120 4.301 -16.247 22.083 827 2HB LEU 120 2HB LEU 120 5.709 -17.255 21.747 828 HG LEU 120 HG LEU 120 6.120 -17.268 24.273 829 1HD1 LEU 120 1HD1 LEU 120 3.721 -15.606 24.086 830 2HD1 LEU 120 2HD1 LEU 120 3.517 -16.960 25.199 831 3HD1 LEU 120 3HD1 LEU 120 4.837 -15.814 25.436 832 1HD2 LEU 120 1HD2 LEU 120 3.582 -18.514 23.173 833 2HD2 LEU 120 2HD2 LEU 120 5.200 -19.209 23.091 834 3HD2 LEU 120 3HD2 LEU 120 4.399 -19.023 24.651 835 H ASP 121 H ASP 121 7.796 -14.796 24.440 836 HA ASP 121 HA ASP 121 10.320 -15.252 23.239 837 1HB ASP 121 1HB ASP 121 9.167 -14.713 25.815 838 2HB ASP 121 2HB ASP 121 10.406 -15.954 25.999 839 H TYR 122 H TYR 122 8.157 -17.518 24.941 840 HA TYR 122 HA TYR 122 9.896 -19.748 25.121 841 1HB TYR 122 1HB TYR 122 7.218 -19.100 25.607 842 2HB TYR 122 2HB TYR 122 7.139 -20.420 24.439 843 HD1 TYR 122 HD1 TYR 122 8.349 -22.580 24.925 844 HD2 TYR 122 HD2 TYR 122 7.903 -19.475 27.859 845 HE1 TYR 122 HE1 TYR 122 8.902 -24.197 26.723 846 HE2 TYR 122 HE2 TYR 122 8.457 -21.091 29.656 847 HH TYR 122 HH TYR 122 9.055 -24.525 28.916 848 H LEU 123 H LEU 123 8.120 -18.439 22.385 849 HA LEU 123 HA LEU 123 8.853 -20.784 20.697 850 1HB LEU 123 1HB LEU 123 6.805 -18.677 20.773 851 2HB LEU 123 2HB LEU 123 7.450 -18.960 19.157 852 HG LEU 123 HG LEU 123 6.370 -21.107 21.011 853 1HD1 LEU 123 1HD1 LEU 123 5.209 -19.636 18.643 854 2HD1 LEU 123 2HD1 LEU 123 4.624 -21.230 19.119 855 3HD1 LEU 123 3HD1 LEU 123 4.497 -19.874 20.238 856 1HD2 LEU 123 1HD2 LEU 123 8.068 -21.194 18.686 857 2HD2 LEU 123 2HD2 LEU 123 7.467 -22.536 19.662 858 3HD2 LEU 123 3HD2 LEU 123 6.514 -21.937 18.304 859 H GLN 124 H GLN 124 9.628 -17.397 21.218 860 HA GLN 124 HA GLN 124 10.880 -16.731 18.770 861 1HB GLN 124 1HB GLN 124 11.127 -15.949 21.652 862 2HB GLN 124 2HB GLN 124 12.326 -15.334 20.514 863 1HG GLN 124 1HG GLN 124 9.430 -15.157 19.768 864 2HG GLN 124 2HG GLN 124 10.063 -14.011 20.949 865 2HE2 GLN 124 2HE2 GLN 124 9.455 -12.536 18.937 866 1HE2 GLN 124 1HE2 GLN 124 10.709 -12.261 17.826 867 H ASN 125 H ASN 125 12.010 -18.724 21.443 868 HA ASN 125 HA ASN 125 14.794 -18.787 20.924 869 1HB ASN 125 1HB ASN 125 13.908 -19.791 22.898 870 2HB ASN 125 2HB ASN 125 12.781 -20.786 21.977 871 2HD2 ASN 125 2HD2 ASN 125 13.728 -22.745 22.985 872 1HD2 ASN 125 1HD2 ASN 125 15.235 -23.331 22.469 873 H ARG 126 H ARG 126 12.117 -20.272 19.209 874 HA ARG 126 HA ARG 126 13.539 -22.295 17.771 875 1HB ARG 126 1HB ARG 126 10.950 -21.222 17.974 876 2HB ARG 126 2HB ARG 126 11.397 -21.002 16.282 877 1HG ARG 126 1HG ARG 126 10.423 -23.178 16.406 878 2HG ARG 126 2HG ARG 126 12.163 -23.447 16.321 879 1HD ARG 126 1HD ARG 126 12.201 -23.600 18.836 880 2HD ARG 126 2HD ARG 126 10.429 -23.513 18.817 881 HE ARG 126 HE ARG 126 10.399 -25.624 17.570 882 1HH1 ARG 126 1HH1 ARG 126 12.906 -25.644 16.104 883 2HH1 ARG 126 2HH1 ARG 126 13.924 -26.692 17.034 884 1HH2 ARG 126 1HH2 ARG 126 11.956 -26.509 19.884 885 2HH2 ARG 126 2HH2 ARG 126 13.382 -27.187 19.172 886 H VAL 127 H VAL 127 13.607 -18.856 17.537 887 HA VAL 127 HA VAL 127 14.323 -18.642 14.729 888 HB VAL 127 HB VAL 127 14.606 -16.843 17.154 889 1HG1 VAL 127 1HG1 VAL 127 16.270 -16.313 15.353 890 2HG1 VAL 127 2HG1 VAL 127 14.926 -16.118 14.226 891 3HG1 VAL 127 3HG1 VAL 127 15.086 -15.028 15.604 892 1HG2 VAL 127 1HG2 VAL 127 12.373 -17.640 15.700 893 2HG2 VAL 127 2HG2 VAL 127 12.477 -16.210 16.727 894 3HG2 VAL 127 3HG2 VAL 127 12.787 -16.077 14.996 895 H ILE 128 H ILE 128 16.144 -18.835 17.782 896 HA ILE 128 HA ILE 128 18.727 -18.620 16.361 897 HB ILE 128 HB ILE 128 17.863 -18.957 19.247 898 1HG1 ILE 128 1HG1 ILE 128 17.495 -16.754 18.025 899 2HG1 ILE 128 2HG1 ILE 128 18.495 -16.651 19.474 900 1HG2 ILE 128 1HG2 ILE 128 20.557 -19.060 17.952 901 2HG2 ILE 128 2HG2 ILE 128 20.413 -18.221 19.496 902 3HG2 ILE 128 3HG2 ILE 128 19.962 -19.921 19.372 903 1HD1 ILE 128 1HD1 ILE 128 20.177 -17.279 17.233 904 2HD1 ILE 128 2HD1 ILE 128 19.185 -15.880 16.823 905 3HD1 ILE 128 3HD1 ILE 128 20.208 -15.845 18.258 No H/Q in entry = 905 Start of MODEL 6 1 H2 PRO 1 H2 PRO 1 -19.896 -14.236 13.344 2 H3 PRO 1 H3 PRO 1 -20.356 -15.825 13.742 3 HA PRO 1 HA PRO 1 -18.217 -16.348 13.934 4 1HB PRO 1 1HB PRO 1 -17.119 -16.058 11.445 5 2HB PRO 1 2HB PRO 1 -18.255 -17.357 11.856 6 1HG PRO 1 1HG PRO 1 -18.744 -14.783 10.435 7 2HG PRO 1 2HG PRO 1 -19.396 -16.395 10.102 8 1HD PRO 1 1HD PRO 1 -20.799 -14.451 11.392 9 2HD PRO 1 2HD PRO 1 -21.054 -16.185 11.676 10 H THR 2 H THR 2 -17.937 -14.283 15.262 11 HA THR 2 HA THR 2 -16.272 -12.233 13.851 12 HB THR 2 HB THR 2 -17.397 -11.958 16.623 13 HG1 THR 2 HG1 THR 2 -18.935 -11.297 14.378 14 1HG2 THR 2 1HG2 THR 2 -16.708 -10.166 14.307 15 2HG2 THR 2 2HG2 THR 2 -17.806 -9.610 15.571 16 3HG2 THR 2 3HG2 THR 2 -16.155 -10.076 15.979 17 H VAL 3 H VAL 3 -14.143 -11.955 14.486 18 HA VAL 3 HA VAL 3 -13.203 -13.393 16.940 19 HB VAL 3 HB VAL 3 -12.074 -13.412 14.125 20 1HG1 VAL 3 1HG1 VAL 3 -10.774 -13.782 16.728 21 2HG1 VAL 3 2HG1 VAL 3 -10.569 -15.166 15.653 22 3HG1 VAL 3 3HG1 VAL 3 -10.051 -13.562 15.134 23 1HG2 VAL 3 1HG2 VAL 3 -13.983 -15.013 15.189 24 2HG2 VAL 3 2HG2 VAL 3 -12.818 -15.572 13.988 25 3HG2 VAL 3 3HG2 VAL 3 -12.538 -15.885 15.701 26 H GLU 4 H GLU 4 -12.327 -11.825 18.248 27 HA GLU 4 HA GLU 4 -11.368 -9.279 17.119 28 1HB GLU 4 1HB GLU 4 -12.610 -10.074 19.426 29 2HB GLU 4 2HB GLU 4 -10.938 -9.939 19.971 30 1HG GLU 4 1HG GLU 4 -10.810 -7.647 19.177 31 2HG GLU 4 2HG GLU 4 -12.411 -7.770 18.446 32 H TYR 5 H TYR 5 -9.320 -9.356 16.205 33 HA TYR 5 HA TYR 5 -7.267 -11.153 17.353 34 1HB TYR 5 1HB TYR 5 -5.991 -10.408 15.359 35 2HB TYR 5 2HB TYR 5 -7.600 -10.977 14.919 36 HD1 TYR 5 HD1 TYR 5 -5.784 -7.828 15.853 37 HD2 TYR 5 HD2 TYR 5 -8.971 -9.619 13.602 38 HE1 TYR 5 HE1 TYR 5 -6.270 -5.638 14.797 39 HE2 TYR 5 HE2 TYR 5 -9.458 -7.431 12.545 40 HH TYR 5 HH TYR 5 -7.350 -4.668 12.995 41 H LEU 6 H LEU 6 -5.388 -10.412 18.381 42 HA LEU 6 HA LEU 6 -5.163 -7.461 18.857 43 1HB LEU 6 1HB LEU 6 -5.980 -9.481 20.661 44 2HB LEU 6 2HB LEU 6 -4.334 -9.054 21.126 45 HG LEU 6 HG LEU 6 -6.664 -7.142 20.775 46 1HD1 LEU 6 1HD1 LEU 6 -5.158 -8.255 23.138 47 2HD1 LEU 6 2HD1 LEU 6 -5.993 -6.706 23.246 48 3HD1 LEU 6 3HD1 LEU 6 -6.902 -8.173 22.881 49 1HD2 LEU 6 1HD2 LEU 6 -3.710 -6.743 21.021 50 2HD2 LEU 6 2HD2 LEU 6 -4.897 -5.799 20.122 51 3HD2 LEU 6 3HD2 LEU 6 -4.768 -5.617 21.871 52 H ASN 7 H ASN 7 -3.035 -6.714 18.833 53 HA ASN 7 HA ASN 7 -0.975 -8.415 17.718 54 1HB ASN 7 1HB ASN 7 -1.239 -5.985 17.299 55 2HB ASN 7 2HB ASN 7 -0.878 -5.662 18.994 56 2HD2 ASN 7 2HD2 ASN 7 0.969 -4.382 17.783 57 1HD2 ASN 7 1HD2 ASN 7 2.404 -5.243 17.495 58 H TYR 8 H TYR 8 0.118 -9.917 18.947 59 HA TYR 8 HA TYR 8 0.126 -10.093 21.773 60 1HB TYR 8 1HB TYR 8 0.769 -11.963 20.424 61 2HB TYR 8 2HB TYR 8 2.013 -11.028 19.597 62 HD1 TYR 8 HD1 TYR 8 1.081 -12.673 22.778 63 HD2 TYR 8 HD2 TYR 8 4.174 -10.631 20.607 64 HE1 TYR 8 HE1 TYR 8 2.736 -13.359 24.493 65 HE2 TYR 8 HE2 TYR 8 5.830 -11.317 22.323 66 HH TYR 8 HH TYR 8 6.168 -12.414 24.215 67 H GLU 9 H GLU 9 2.010 -8.086 19.632 68 HA GLU 9 HA GLU 9 4.167 -7.492 21.480 69 1HB GLU 9 1HB GLU 9 3.390 -6.966 18.800 70 2HB GLU 9 2HB GLU 9 3.623 -5.399 19.572 71 1HG GLU 9 1HG GLU 9 5.804 -6.589 20.526 72 2HG GLU 9 2HG GLU 9 5.600 -7.592 19.090 73 H THR 10 H THR 10 1.093 -5.891 20.640 74 HA THR 10 HA THR 10 1.432 -3.546 22.234 75 HB THR 10 HB THR 10 -1.003 -5.138 21.373 76 HG1 THR 10 HG1 THR 10 0.623 -3.174 20.270 77 1HG2 THR 10 1HG2 THR 10 -0.722 -2.474 22.747 78 2HG2 THR 10 2HG2 THR 10 -2.095 -2.802 21.691 79 3HG2 THR 10 3HG2 THR 10 -1.825 -3.797 23.121 80 H LEU 11 H LEU 11 0.458 -6.836 23.057 81 HA LEU 11 HA LEU 11 -0.685 -6.270 25.636 82 1HB LEU 11 1HB LEU 11 -0.577 -8.392 24.015 83 2HB LEU 11 2HB LEU 11 0.788 -8.808 25.051 84 HG LEU 11 HG LEU 11 -1.998 -8.124 26.039 85 1HD1 LEU 11 1HD1 LEU 11 -0.642 -10.674 25.306 86 2HD1 LEU 11 2HD1 LEU 11 -1.614 -10.681 26.778 87 3HD1 LEU 11 3HD1 LEU 11 -2.353 -10.250 25.235 88 1HD2 LEU 11 1HD2 LEU 11 0.592 -8.891 27.384 89 2HD2 LEU 11 2HD2 LEU 11 -0.481 -7.541 27.755 90 3HD2 LEU 11 3HD2 LEU 11 -0.963 -9.188 28.162 91 H ASP 12 H ASP 12 2.623 -7.169 24.613 92 HA ASP 12 HA ASP 12 3.667 -7.067 27.346 93 1HB ASP 12 1HB ASP 12 4.375 -8.247 24.977 94 2HB ASP 12 2HB ASP 12 5.499 -6.890 25.030 95 H ASP 13 H ASP 13 3.755 -4.958 24.471 96 HA ASP 13 HA ASP 13 5.552 -2.984 25.466 97 1HB ASP 13 1HB ASP 13 4.817 -3.194 23.131 98 2HB ASP 13 2HB ASP 13 3.165 -2.790 23.600 99 H GLN 14 H GLN 14 1.962 -2.974 25.485 100 HA GLN 14 HA GLN 14 1.775 -0.608 27.147 101 1HB GLN 14 1HB GLN 14 0.129 -1.856 25.474 102 2HB GLN 14 2HB GLN 14 -0.379 -2.685 26.946 103 1HG GLN 14 1HG GLN 14 -1.739 -0.896 27.257 104 2HG GLN 14 2HG GLN 14 -0.275 -0.056 27.767 105 2HE2 GLN 14 2HE2 GLN 14 -2.856 0.191 25.635 106 1HE2 GLN 14 1HE2 GLN 14 -2.153 1.218 24.481 107 H GLY 15 H GLY 15 2.048 -4.050 27.787 108 1HA GLY 15 1HA GLY 15 2.483 -3.530 30.624 109 2HA GLY 15 2HA GLY 15 2.522 -5.112 29.846 110 H TRP 16 H TRP 16 -0.023 -5.188 28.700 111 HA TRP 16 HA TRP 16 -1.954 -4.679 30.906 112 1HB TRP 16 1HB TRP 16 -1.943 -4.831 27.996 113 2HB TRP 16 2HB TRP 16 -3.236 -5.813 28.684 114 HD1 TRP 16 HD1 TRP 16 -5.381 -4.512 28.992 115 HE1 TRP 16 HE1 TRP 16 -6.013 -2.070 29.525 116 HE3 TRP 16 HE3 TRP 16 -0.720 -2.461 29.395 117 HZ2 TRP 16 HZ2 TRP 16 -4.714 0.423 30.053 118 HZ3 TRP 16 HZ3 TRP 16 -0.447 -0.053 29.913 119 HH2 TRP 16 HH2 TRP 16 -2.436 1.391 30.242 120 H ASP 17 H ASP 17 -3.716 -6.592 30.923 121 HA ASP 17 HA ASP 17 -2.190 -9.078 31.525 122 1HB ASP 17 1HB ASP 17 -4.498 -7.632 32.555 123 2HB ASP 17 2HB ASP 17 -4.879 -9.333 32.286 124 H MET 18 H MET 18 -3.792 -11.110 31.127 125 HA MET 18 HA MET 18 -4.151 -11.256 28.226 126 1HB MET 18 1HB MET 18 -4.360 -13.070 30.611 127 2HB MET 18 2HB MET 18 -5.037 -13.599 29.070 128 1HG MET 18 1HG MET 18 -2.746 -14.381 29.187 129 2HG MET 18 2HG MET 18 -2.815 -13.077 28.002 130 1HE MET 18 1HE MET 18 -0.452 -14.455 29.932 131 2HE MET 18 2HE MET 18 0.002 -13.477 31.325 132 3HE MET 18 3HE MET 18 -1.519 -14.380 31.332 133 H ASP 19 H ASP 19 -6.321 -11.528 31.066 134 HA ASP 19 HA ASP 19 -8.580 -10.656 29.306 135 1HB ASP 19 1HB ASP 19 -9.943 -12.449 30.298 136 2HB ASP 19 2HB ASP 19 -8.505 -13.132 29.541 137 H ASP 20 H ASP 20 -6.792 -9.967 31.979 138 HA ASP 20 HA ASP 20 -8.906 -9.357 33.902 139 1HB ASP 20 1HB ASP 20 -6.402 -9.934 34.255 140 2HB ASP 20 2HB ASP 20 -6.098 -8.246 33.843 141 H ASP 21 H ASP 21 -6.589 -7.231 32.168 142 HA ASP 21 HA ASP 21 -8.270 -4.880 32.622 143 1HB ASP 21 1HB ASP 21 -5.636 -5.582 31.408 144 2HB ASP 21 2HB ASP 21 -6.380 -4.069 30.891 145 H ASP 22 H ASP 22 -8.754 -7.393 30.604 146 HA ASP 22 HA ASP 22 -9.760 -7.651 28.470 147 1HB ASP 22 1HB ASP 22 -10.979 -5.116 29.609 148 2HB ASP 22 2HB ASP 22 -11.651 -5.996 28.238 149 H LEU 23 H LEU 23 -7.260 -6.670 28.047 150 HA LEU 23 HA LEU 23 -6.737 -4.194 26.945 151 1HB LEU 23 1HB LEU 23 -5.173 -6.112 27.140 152 2HB LEU 23 2HB LEU 23 -5.997 -6.907 25.799 153 HG LEU 23 HG LEU 23 -5.305 -5.226 24.250 154 1HD1 LEU 23 1HD1 LEU 23 -4.817 -3.654 26.748 155 2HD1 LEU 23 2HD1 LEU 23 -3.812 -3.304 25.342 156 3HD1 LEU 23 3HD1 LEU 23 -5.565 -3.147 25.233 157 1HD2 LEU 23 1HD2 LEU 23 -3.541 -6.863 25.078 158 2HD2 LEU 23 2HD2 LEU 23 -2.911 -5.384 24.353 159 3HD2 LEU 23 3HD2 LEU 23 -2.938 -5.565 26.107 160 H PHE 24 H PHE 24 -8.552 -6.836 25.404 161 HA PHE 24 HA PHE 24 -8.799 -5.839 22.783 162 1HB PHE 24 1HB PHE 24 -10.522 -7.452 24.652 163 2HB PHE 24 2HB PHE 24 -11.123 -7.041 23.046 164 HD1 PHE 24 HD1 PHE 24 -9.542 -7.544 21.038 165 HD2 PHE 24 HD2 PHE 24 -9.097 -9.295 24.934 166 HE1 PHE 24 HE1 PHE 24 -8.176 -9.370 20.061 167 HE2 PHE 24 HE2 PHE 24 -7.731 -11.121 23.959 168 HZ PHE 24 HZ PHE 24 -7.270 -11.158 21.522 169 H GLU 25 H GLU 25 -10.162 -4.647 25.749 170 HA GLU 25 HA GLU 25 -12.073 -2.885 24.273 171 1HB GLU 25 1HB GLU 25 -12.568 -4.398 26.352 172 2HB GLU 25 2HB GLU 25 -11.764 -3.119 27.262 173 1HG GLU 25 1HG GLU 25 -13.529 -1.718 27.046 174 2HG GLU 25 2HG GLU 25 -13.711 -2.086 25.331 175 H LYS 26 H LYS 26 -9.276 -2.797 26.463 176 HA LYS 26 HA LYS 26 -9.260 0.103 26.727 177 1HB LYS 26 1HB LYS 26 -7.594 -2.251 27.485 178 2HB LYS 26 2HB LYS 26 -6.787 -0.684 27.454 179 1HG LYS 26 1HG LYS 26 -9.322 -0.325 28.713 180 2HG LYS 26 2HG LYS 26 -8.555 -1.731 29.451 181 1HD LYS 26 1HD LYS 26 -6.425 -0.237 29.541 182 2HD LYS 26 2HD LYS 26 -7.545 1.104 29.302 183 1HE LYS 26 1HE LYS 26 -7.582 -0.919 31.569 184 2HE LYS 26 2HE LYS 26 -7.287 0.826 31.693 185 1HZ LYS 26 1HZ LYS 26 -9.584 0.757 30.311 186 2HZ LYS 26 2HZ LYS 26 -9.782 -0.611 31.299 187 3HZ LYS 26 3HZ LYS 26 -9.509 0.912 32.000 188 H ALA 27 H ALA 27 -7.932 -2.204 24.446 189 HA ALA 27 HA ALA 27 -5.819 -0.633 23.336 190 1HB ALA 27 1HB ALA 27 -7.663 -2.799 22.314 191 2HB ALA 27 2HB ALA 27 -6.386 -2.125 21.301 192 3HB ALA 27 3HB ALA 27 -5.976 -2.947 22.806 193 H ALA 28 H ALA 28 -9.310 -0.591 22.835 194 HA ALA 28 HA ALA 28 -9.297 1.037 20.442 195 1HB ALA 28 1HB ALA 28 -11.275 0.272 22.589 196 2HB ALA 28 2HB ALA 28 -11.236 -0.237 20.901 197 3HB ALA 28 3HB ALA 28 -11.726 1.406 21.315 198 H ASP 29 H ASP 29 -8.771 1.718 23.784 199 HA ASP 29 HA ASP 29 -9.611 4.533 23.651 200 1HB ASP 29 1HB ASP 29 -9.142 2.573 25.604 201 2HB ASP 29 2HB ASP 29 -7.863 3.762 25.849 202 H ALA 30 H ALA 30 -6.794 2.695 22.894 203 HA ALA 30 HA ALA 30 -4.991 5.049 23.133 204 1HB ALA 30 1HB ALA 30 -3.253 3.423 22.936 205 2HB ALA 30 2HB ALA 30 -4.495 2.646 23.918 206 3HB ALA 30 3HB ALA 30 -4.343 2.243 22.208 207 H GLY 31 H GLY 31 -6.479 2.926 20.736 208 1HA GLY 31 1HA GLY 31 -5.956 4.918 18.642 209 2HA GLY 31 2HA GLY 31 -6.913 3.449 18.458 210 H LEU 32 H LEU 32 -4.984 1.572 19.377 211 HA LEU 32 HA LEU 32 -2.403 1.807 18.200 212 1HB LEU 32 1HB LEU 32 -4.192 -0.600 18.672 213 2HB LEU 32 2HB LEU 32 -2.454 -0.680 18.381 214 HG LEU 32 HG LEU 32 -3.184 1.211 20.503 215 1HD1 LEU 32 1HD1 LEU 32 -4.369 -1.463 20.476 216 2HD1 LEU 32 2HD1 LEU 32 -3.351 -1.194 21.891 217 3HD1 LEU 32 3HD1 LEU 32 -4.696 -0.105 21.553 218 1HD2 LEU 32 1HD2 LEU 32 -0.917 0.045 19.741 219 2HD2 LEU 32 2HD2 LEU 32 -1.207 0.436 21.436 220 3HD2 LEU 32 3HD2 LEU 32 -1.458 -1.210 20.855 221 H ASP 33 H ASP 33 -1.965 -0.148 16.399 222 HA ASP 33 HA ASP 33 -3.026 0.911 13.923 223 1HB ASP 33 1HB ASP 33 -1.428 -1.550 14.689 224 2HB ASP 33 2HB ASP 33 -1.758 -1.098 13.016 225 H GLY 34 H GLY 34 -4.233 -0.467 12.327 226 1HA GLY 34 1HA GLY 34 -6.272 -1.561 11.861 227 2HA GLY 34 2HA GLY 34 -6.538 -1.712 13.596 228 H GLU 35 H GLU 35 -3.748 -2.858 11.734 229 HA GLU 35 HA GLU 35 -4.565 -5.618 11.603 230 1HB GLU 35 1HB GLU 35 -1.749 -4.510 11.632 231 2HB GLU 35 2HB GLU 35 -2.337 -5.938 10.782 232 1HG GLU 35 1HG GLU 35 -2.769 -4.656 8.985 233 2HG GLU 35 2HG GLU 35 -3.946 -3.753 9.939 234 H ASP 36 H ASP 36 -3.301 -3.689 14.178 235 HA ASP 36 HA ASP 36 -2.185 -5.999 15.655 236 1HB ASP 36 1HB ASP 36 -2.477 -3.026 16.159 237 2HB ASP 36 2HB ASP 36 -1.774 -4.128 17.344 238 H TYR 37 H TYR 37 -4.891 -3.674 15.985 239 HA TYR 37 HA TYR 37 -6.257 -5.675 17.743 240 1HB TYR 37 1HB TYR 37 -5.366 -4.151 19.301 241 2HB TYR 37 2HB TYR 37 -5.591 -2.774 18.223 242 HD1 TYR 37 HD1 TYR 37 -7.724 -5.473 19.753 243 HD2 TYR 37 HD2 TYR 37 -7.288 -1.304 18.812 244 HE1 TYR 37 HE1 TYR 37 -9.921 -5.005 20.803 245 HE2 TYR 37 HE2 TYR 37 -9.484 -0.838 19.863 246 HH TYR 37 HH TYR 37 -11.618 -3.407 20.878 247 H GLY 38 H GLY 38 -8.246 -6.099 16.881 248 1HA GLY 38 1HA GLY 38 -9.355 -4.681 14.672 249 2HA GLY 38 2HA GLY 38 -10.137 -4.108 16.144 250 H THR 39 H THR 39 -12.085 -5.122 15.082 251 HA THR 39 HA THR 39 -12.438 -7.871 16.107 252 HB THR 39 HB THR 39 -14.330 -5.919 14.753 253 HG1 THR 39 HG1 THR 39 -13.678 -6.425 17.460 254 1HG2 THR 39 1HG2 THR 39 -14.609 -8.646 15.836 255 2HG2 THR 39 2HG2 THR 39 -15.817 -7.502 16.420 256 3HG2 THR 39 3HG2 THR 39 -15.630 -7.779 14.689 257 H MET 40 H MET 40 -11.885 -9.536 14.745 258 HA MET 40 HA MET 40 -11.778 -9.157 11.836 259 1HB MET 40 1HB MET 40 -10.467 -10.692 13.707 260 2HB MET 40 2HB MET 40 -11.551 -11.868 12.968 261 1HG MET 40 1HG MET 40 -9.939 -9.996 11.246 262 2HG MET 40 2HG MET 40 -9.207 -11.468 11.885 263 1HE MET 40 1HE MET 40 -8.878 -13.061 10.817 264 2HE MET 40 2HE MET 40 -10.227 -14.195 10.797 265 3HE MET 40 3HE MET 40 -9.540 -13.603 9.278 266 H GLU 41 H GLU 41 -13.066 -10.379 10.330 267 HA GLU 41 HA GLU 41 -15.491 -11.729 11.443 268 1HB GLU 41 1HB GLU 41 -15.769 -9.236 10.840 269 2HB GLU 41 2HB GLU 41 -15.564 -9.740 9.162 270 1HG GLU 41 1HG GLU 41 -17.502 -11.333 10.739 271 2HG GLU 41 2HG GLU 41 -17.974 -9.664 10.426 272 H VAL 42 H VAL 42 -15.487 -13.751 10.519 273 HA VAL 42 HA VAL 42 -14.717 -13.965 7.631 274 HB VAL 42 HB VAL 42 -13.292 -15.813 8.141 275 1HG1 VAL 42 1HG1 VAL 42 -12.652 -13.379 8.965 276 2HG1 VAL 42 2HG1 VAL 42 -12.757 -14.124 10.560 277 3HG1 VAL 42 3HG1 VAL 42 -11.623 -14.755 9.365 278 1HG2 VAL 42 1HG2 VAL 42 -14.814 -15.809 10.728 279 2HG2 VAL 42 2HG2 VAL 42 -14.438 -17.160 9.658 280 3HG2 VAL 42 3HG2 VAL 42 -13.182 -16.479 10.692 281 H ALA 43 H ALA 43 -15.852 -15.600 6.484 282 HA ALA 43 HA ALA 43 -18.428 -16.394 7.630 283 1HB ALA 43 1HB ALA 43 -16.972 -16.661 5.006 284 2HB ALA 43 2HB ALA 43 -18.464 -17.559 5.282 285 3HB ALA 43 3HB ALA 43 -18.470 -15.797 5.355 286 H GLU 44 H GLU 44 -19.050 -18.544 8.131 287 HA GLU 44 HA GLU 44 -17.227 -20.302 9.320 288 1HB GLU 44 1HB GLU 44 -19.974 -20.177 8.657 289 2HB GLU 44 2HB GLU 44 -19.401 -21.729 8.044 290 1HG GLU 44 1HG GLU 44 -19.881 -22.326 10.229 291 2HG GLU 44 2HG GLU 44 -18.203 -21.820 10.422 292 H GLY 45 H GLY 45 -15.481 -21.254 8.370 293 1HA GLY 45 1HA GLY 45 -15.860 -22.489 5.676 294 2HA GLY 45 2HA GLY 45 -14.706 -23.062 6.882 295 H GLU 46 H GLU 46 -14.295 -19.968 7.352 296 HA GLU 46 HA GLU 46 -12.447 -19.563 5.019 297 1HB GLU 46 1HB GLU 46 -14.522 -18.052 5.550 298 2HB GLU 46 2HB GLU 46 -13.497 -17.395 6.825 299 1HG GLU 46 1HG GLU 46 -12.598 -16.044 5.254 300 2HG GLU 46 2HG GLU 46 -11.835 -17.482 4.577 301 H TYR 47 H TYR 47 -10.387 -20.061 5.703 302 HA TYR 47 HA TYR 47 -9.407 -20.221 8.328 303 1HB TYR 47 1HB TYR 47 -8.057 -19.413 5.731 304 2HB TYR 47 2HB TYR 47 -7.186 -19.895 7.186 305 HD1 TYR 47 HD1 TYR 47 -8.490 -22.131 8.293 306 HD2 TYR 47 HD2 TYR 47 -8.114 -21.110 4.137 307 HE1 TYR 47 HE1 TYR 47 -8.788 -24.515 7.680 308 HE2 TYR 47 HE2 TYR 47 -8.412 -23.493 3.524 309 HH TYR 47 HH TYR 47 -7.943 -25.929 5.337 310 H ILE 48 H ILE 48 -8.892 -18.683 9.854 311 HA ILE 48 HA ILE 48 -9.645 -15.987 9.711 312 HB ILE 48 HB ILE 48 -7.385 -17.280 11.271 313 1HG1 ILE 48 1HG1 ILE 48 -10.369 -17.065 11.703 314 2HG1 ILE 48 2HG1 ILE 48 -9.367 -18.515 11.717 315 1HG2 ILE 48 1HG2 ILE 48 -7.872 -14.615 11.091 316 2HG2 ILE 48 2HG2 ILE 48 -8.983 -15.045 12.393 317 3HG2 ILE 48 3HG2 ILE 48 -7.260 -15.388 12.553 318 1HD1 ILE 48 1HD1 ILE 48 -8.144 -17.257 13.705 319 2HD1 ILE 48 2HD1 ILE 48 -9.686 -16.409 13.827 320 3HD1 ILE 48 3HD1 ILE 48 -9.628 -18.164 14.000 321 H LEU 49 H LEU 49 -6.250 -17.138 9.504 322 HA LEU 49 HA LEU 49 -4.964 -14.783 8.814 323 1HB LEU 49 1HB LEU 49 -4.300 -17.383 9.005 324 2HB LEU 49 2HB LEU 49 -4.284 -17.227 7.248 325 HG LEU 49 HG LEU 49 -2.933 -15.098 8.846 326 1HD1 LEU 49 1HD1 LEU 49 -2.335 -17.592 9.601 327 2HD1 LEU 49 2HD1 LEU 49 -1.345 -17.531 8.143 328 3HD1 LEU 49 3HD1 LEU 49 -1.086 -16.358 9.434 329 1HD2 LEU 49 1HD2 LEU 49 -3.143 -15.064 6.345 330 2HD2 LEU 49 2HD2 LEU 49 -1.470 -15.056 6.900 331 3HD2 LEU 49 3HD2 LEU 49 -2.187 -16.544 6.285 332 H GLU 50 H GLU 50 -6.921 -16.838 6.675 333 HA GLU 50 HA GLU 50 -6.241 -15.366 4.254 334 1HB GLU 50 1HB GLU 50 -8.025 -17.574 5.140 335 2HB GLU 50 2HB GLU 50 -8.509 -16.726 3.672 336 1HG GLU 50 1HG GLU 50 -5.847 -17.042 3.203 337 2HG GLU 50 2HG GLU 50 -6.174 -18.487 4.159 338 H ALA 51 H ALA 51 -9.136 -15.491 6.363 339 HA ALA 51 HA ALA 51 -10.679 -13.559 4.945 340 1HB ALA 51 1HB ALA 51 -10.573 -14.446 7.837 341 2HB ALA 51 2HB ALA 51 -11.648 -15.047 6.575 342 3HB ALA 51 3HB ALA 51 -11.846 -13.408 7.193 343 H ALA 52 H ALA 52 -8.418 -13.180 7.659 344 HA ALA 52 HA ALA 52 -8.825 -10.302 7.864 345 1HB ALA 52 1HB ALA 52 -6.417 -10.994 9.094 346 2HB ALA 52 2HB ALA 52 -7.382 -12.468 9.185 347 3HB ALA 52 3HB ALA 52 -8.002 -10.964 9.866 348 H GLU 53 H GLU 53 -6.584 -12.409 6.154 349 HA GLU 53 HA GLU 53 -4.575 -10.455 5.539 350 1HB GLU 53 1HB GLU 53 -4.159 -12.815 5.305 351 2HB GLU 53 2HB GLU 53 -5.530 -13.003 4.210 352 1HG GLU 53 1HG GLU 53 -4.206 -12.534 2.451 353 2HG GLU 53 2HG GLU 53 -3.804 -10.969 3.161 354 H ALA 54 H ALA 54 -7.615 -11.340 3.970 355 HA ALA 54 HA ALA 54 -7.205 -9.814 1.552 356 1HB ALA 54 1HB ALA 54 -8.817 -11.706 1.944 357 2HB ALA 54 2HB ALA 54 -9.570 -10.285 1.224 358 3HB ALA 54 3HB ALA 54 -9.779 -10.618 2.943 359 H GLN 55 H GLN 55 -7.988 -8.898 4.790 360 HA GLN 55 HA GLN 55 -9.283 -6.360 3.962 361 1HB GLN 55 1HB GLN 55 -8.594 -7.585 6.653 362 2HB GLN 55 2HB GLN 55 -9.549 -6.120 6.428 363 1HG GLN 55 1HG GLN 55 -10.861 -7.832 4.764 364 2HG GLN 55 2HG GLN 55 -10.303 -8.953 6.004 365 2HE2 GLN 55 2HE2 GLN 55 -13.093 -8.276 5.677 366 1HE2 GLN 55 1HE2 GLN 55 -13.592 -7.429 7.061 367 H GLY 56 H GLY 56 -6.177 -7.576 4.999 368 1HA GLY 56 1HA GLY 56 -5.189 -4.778 5.332 369 2HA GLY 56 2HA GLY 56 -4.346 -5.899 4.264 370 H TYR 57 H TYR 57 -5.684 -7.496 6.934 371 HA TYR 57 HA TYR 57 -3.631 -7.000 8.910 372 1HB TYR 57 1HB TYR 57 -5.513 -9.347 8.498 373 2HB TYR 57 2HB TYR 57 -4.693 -8.937 10.005 374 HD1 TYR 57 HD1 TYR 57 -4.992 -5.834 9.431 375 HD2 TYR 57 HD2 TYR 57 -7.737 -9.135 9.543 376 HE1 TYR 57 HE1 TYR 57 -6.838 -4.282 10.005 377 HE2 TYR 57 HE2 TYR 57 -9.580 -7.585 10.115 378 HH TYR 57 HH TYR 57 -9.472 -4.982 11.367 379 H ASP 58 H ASP 58 -1.762 -8.232 9.355 380 HA ASP 58 HA ASP 58 -0.974 -10.204 7.233 381 1HB ASP 58 1HB ASP 58 1.293 -9.373 7.579 382 2HB ASP 58 2HB ASP 58 0.223 -7.996 7.314 383 H TRP 59 H TRP 59 -0.172 -12.188 7.941 384 HA TRP 59 HA TRP 59 0.173 -12.574 10.895 385 1HB TRP 59 1HB TRP 59 -1.197 -14.482 8.978 386 2HB TRP 59 2HB TRP 59 -1.152 -14.590 10.737 387 HD1 TRP 59 HD1 TRP 59 -2.367 -12.061 8.067 388 HE1 TRP 59 HE1 TRP 59 -4.537 -10.970 8.931 389 HE3 TRP 59 HE3 TRP 59 -2.740 -14.325 12.629 390 HZ2 TRP 59 HZ2 TRP 59 -6.211 -11.049 11.246 391 HZ3 TRP 59 HZ3 TRP 59 -4.634 -13.801 14.140 392 HH2 TRP 59 HH2 TRP 59 -6.369 -12.167 13.454 393 HA PRO 60 HA PRO 60 3.869 -14.601 9.612 394 1HB PRO 60 1HB PRO 60 4.309 -16.140 11.832 395 2HB PRO 60 2HB PRO 60 4.586 -14.388 11.803 396 1HG PRO 60 1HG PRO 60 2.287 -15.934 12.902 397 2HG PRO 60 2HG PRO 60 3.083 -14.491 13.544 398 1HD PRO 60 1HD PRO 60 0.702 -14.447 12.197 399 2HD PRO 60 2HD PRO 60 1.829 -13.076 12.251 400 H PHE 61 H PHE 61 4.163 -16.423 8.339 401 HA PHE 61 HA PHE 61 2.944 -18.993 9.053 402 1HB PHE 61 1HB PHE 61 1.378 -19.071 7.246 403 2HB PHE 61 2HB PHE 61 1.147 -17.496 8.003 404 HD1 PHE 61 HD1 PHE 61 2.925 -19.220 5.208 405 HD2 PHE 61 HD2 PHE 61 1.431 -15.504 6.761 406 HE1 PHE 61 HE1 PHE 61 3.436 -18.112 3.049 407 HE2 PHE 61 HE2 PHE 61 1.942 -14.396 4.601 408 HZ PHE 61 HZ PHE 61 2.944 -15.700 2.746 409 H SER 62 H SER 62 3.780 -20.715 7.728 410 HA SER 62 HA SER 62 5.793 -19.963 5.659 411 1HB SER 62 1HB SER 62 6.202 -21.230 8.333 412 2HB SER 62 2HB SER 62 7.176 -21.838 6.994 413 HG SER 62 HG SER 62 7.180 -19.351 8.228 414 H CYS 63 H CYS 63 4.604 -22.824 7.453 415 HA CYS 63 HA CYS 63 4.841 -24.561 5.155 416 1HB CYS 63 1HB CYS 63 4.327 -26.194 6.720 417 2HB CYS 63 2HB CYS 63 4.882 -24.905 7.782 418 H ARG 64 H ARG 64 2.078 -22.880 6.679 419 HA ARG 64 HA ARG 64 -0.100 -22.465 5.859 420 1HB ARG 64 1HB ARG 64 1.493 -22.960 3.330 421 2HB ARG 64 2HB ARG 64 -0.155 -22.337 3.328 422 1HG ARG 64 1HG ARG 64 0.663 -20.494 4.879 423 2HG ARG 64 2HG ARG 64 2.302 -21.050 4.542 424 1HD ARG 64 1HD ARG 64 2.233 -19.673 2.725 425 2HD ARG 64 2HD ARG 64 1.113 -20.848 2.010 426 HE ARG 64 HE ARG 64 -0.398 -19.246 3.789 427 1HH1 ARG 64 1HH1 ARG 64 -0.164 -19.665 0.586 428 2HH1 ARG 64 2HH1 ARG 64 -0.366 -18.009 0.117 429 1HH2 ARG 64 1HH2 ARG 64 0.042 -16.771 3.330 430 2HH2 ARG 64 2HH2 ARG 64 -0.248 -16.372 1.669 431 H ALA 65 H ALA 65 0.638 -25.294 6.523 432 HA ALA 65 HA ALA 65 -1.535 -26.636 5.003 433 1HB ALA 65 1HB ALA 65 0.595 -28.471 5.628 434 2HB ALA 65 2HB ALA 65 -0.031 -28.017 4.042 435 3HB ALA 65 3HB ALA 65 1.265 -27.076 4.780 436 H GLY 66 H GLY 66 -0.414 -25.692 7.979 437 1HA GLY 66 1HA GLY 66 -2.169 -27.589 9.363 438 2HA GLY 66 2HA GLY 66 -1.312 -26.240 10.107 439 H ALA 67 H ALA 67 1.326 -26.954 9.184 440 HA ALA 67 HA ALA 67 1.766 -29.441 10.797 441 1HB ALA 67 1HB ALA 67 1.957 -29.888 8.402 442 2HB ALA 67 2HB ALA 67 3.559 -29.964 9.137 443 3HB ALA 67 3HB ALA 67 3.078 -28.540 8.216 444 H CYS 68 H CYS 68 2.209 -26.247 11.050 445 HA CYS 68 HA CYS 68 4.754 -26.610 12.535 446 1HB CYS 68 1HB CYS 68 6.000 -25.175 11.217 447 2HB CYS 68 2HB CYS 68 4.925 -25.829 9.987 448 H ALA 69 H ALA 69 5.273 -24.278 13.605 449 HA ALA 69 HA ALA 69 2.652 -23.256 14.660 450 1HB ALA 69 1HB ALA 69 5.272 -24.017 15.904 451 2HB ALA 69 2HB ALA 69 4.276 -22.796 16.697 452 3HB ALA 69 3HB ALA 69 3.635 -24.416 16.424 453 H ASN 70 H ASN 70 4.925 -22.288 12.584 454 HA ASN 70 HA ASN 70 6.010 -19.845 13.530 455 1HB ASN 70 1HB ASN 70 4.997 -20.590 10.764 456 2HB ASN 70 2HB ASN 70 6.180 -19.332 11.122 457 2HD2 ASN 70 2HD2 ASN 70 8.329 -20.006 11.010 458 1HD2 ASN 70 1HD2 ASN 70 8.853 -21.614 11.149 459 H CYS 71 H CYS 71 2.804 -20.594 12.217 460 HA CYS 71 HA CYS 71 1.978 -17.749 12.340 461 1HB CYS 71 1HB CYS 71 0.053 -18.560 11.138 462 2HB CYS 71 2HB CYS 71 1.444 -19.424 10.481 463 H ALA 72 H ALA 72 2.483 -19.859 14.668 464 HA ALA 72 HA ALA 72 0.225 -20.515 16.109 465 1HB ALA 72 1HB ALA 72 2.078 -21.111 17.276 466 2HB ALA 72 2HB ALA 72 3.010 -19.750 16.652 467 3HB ALA 72 3HB ALA 72 1.935 -19.524 18.033 468 H SER 73 H SER 73 -1.131 -19.466 17.608 469 HA SER 73 HA SER 73 -1.030 -16.471 17.709 470 1HB SER 73 1HB SER 73 -2.973 -18.271 16.503 471 2HB SER 73 2HB SER 73 -3.725 -17.269 17.744 472 HG SER 73 HG SER 73 -2.292 -16.462 15.448 473 H ILE 74 H ILE 74 -3.237 -16.117 19.357 474 HA ILE 74 HA ILE 74 -2.923 -17.935 21.682 475 HB ILE 74 HB ILE 74 -2.216 -14.990 21.593 476 1HG1 ILE 74 1HG1 ILE 74 -0.452 -16.632 20.970 477 2HG1 ILE 74 2HG1 ILE 74 -0.067 -15.781 22.467 478 1HG2 ILE 74 1HG2 ILE 74 -3.383 -16.540 23.742 479 2HG2 ILE 74 2HG2 ILE 74 -1.751 -16.028 24.174 480 3HG2 ILE 74 3HG2 ILE 74 -2.960 -14.828 23.715 481 1HD1 ILE 74 1HD1 ILE 74 -1.430 -17.871 23.493 482 2HD1 ILE 74 2HD1 ILE 74 -0.788 -18.637 22.041 483 3HD1 ILE 74 3HD1 ILE 74 0.312 -17.918 23.216 484 H VAL 75 H VAL 75 -5.217 -18.263 20.835 485 HA VAL 75 HA VAL 75 -7.251 -16.360 20.730 486 HB VAL 75 HB VAL 75 -6.931 -19.178 20.867 487 1HG1 VAL 75 1HG1 VAL 75 -7.759 -18.924 23.255 488 2HG1 VAL 75 2HG1 VAL 75 -9.259 -18.281 22.586 489 3HG1 VAL 75 3HG1 VAL 75 -8.769 -19.936 22.223 490 1HG2 VAL 75 1HG2 VAL 75 -8.154 -17.697 19.211 491 2HG2 VAL 75 2HG2 VAL 75 -9.008 -19.170 19.670 492 3HG2 VAL 75 3HG2 VAL 75 -9.476 -17.623 20.377 493 H LYS 76 H LYS 76 -8.216 -15.037 22.217 494 HA LYS 76 HA LYS 76 -7.456 -15.395 25.081 495 1HB LYS 76 1HB LYS 76 -8.597 -13.039 23.538 496 2HB LYS 76 2HB LYS 76 -8.064 -12.997 25.220 497 1HG LYS 76 1HG LYS 76 -5.919 -14.127 23.797 498 2HG LYS 76 2HG LYS 76 -6.482 -12.790 22.794 499 1HD LYS 76 1HD LYS 76 -5.313 -11.430 24.170 500 2HD LYS 76 2HD LYS 76 -6.547 -11.759 25.386 501 1HE LYS 76 1HE LYS 76 -4.154 -13.579 24.984 502 2HE LYS 76 2HE LYS 76 -4.143 -12.223 26.127 503 1HZ LYS 76 1HZ LYS 76 -6.437 -14.062 26.105 504 2HZ LYS 76 2HZ LYS 76 -5.007 -14.566 26.870 505 3HZ LYS 76 3HZ LYS 76 -5.797 -13.157 27.392 506 H GLU 77 H GLU 77 -9.977 -16.081 22.993 507 HA GLU 77 HA GLU 77 -11.812 -16.862 25.034 508 1HB GLU 77 1HB GLU 77 -11.642 -14.087 24.660 509 2HB GLU 77 2HB GLU 77 -13.116 -14.560 23.816 510 1HG GLU 77 1HG GLU 77 -13.827 -15.812 25.867 511 2HG GLU 77 2HG GLU 77 -12.407 -15.181 26.698 512 H GLY 78 H GLY 78 -13.712 -17.829 24.103 513 1HA GLY 78 1HA GLY 78 -14.113 -17.564 21.184 514 2HA GLY 78 2HA GLY 78 -15.183 -18.412 22.301 515 H GLU 79 H GLU 79 -14.710 -19.852 20.139 516 HA GLU 79 HA GLU 79 -12.433 -21.689 20.798 517 1HB GLU 79 1HB GLU 79 -14.495 -22.605 21.690 518 2HB GLU 79 2HB GLU 79 -15.338 -22.302 20.170 519 1HG GLU 79 1HG GLU 79 -14.777 -24.419 19.606 520 2HG GLU 79 2HG GLU 79 -13.137 -23.808 19.394 521 H ILE 80 H ILE 80 -11.250 -22.282 19.003 522 HA ILE 80 HA ILE 80 -12.335 -21.498 16.319 523 HB ILE 80 HB ILE 80 -9.577 -21.623 17.550 524 1HG1 ILE 80 1HG1 ILE 80 -11.160 -19.462 16.123 525 2HG1 ILE 80 2HG1 ILE 80 -10.857 -19.554 17.859 526 1HG2 ILE 80 1HG2 ILE 80 -10.366 -22.027 14.748 527 2HG2 ILE 80 2HG2 ILE 80 -9.215 -20.708 14.967 528 3HG2 ILE 80 3HG2 ILE 80 -8.816 -22.330 15.533 529 1HD1 ILE 80 1HD1 ILE 80 -8.321 -19.677 17.038 530 2HD1 ILE 80 2HD1 ILE 80 -8.987 -18.836 15.638 531 3HD1 ILE 80 3HD1 ILE 80 -9.141 -18.129 17.246 532 H ASP 81 H ASP 81 -12.574 -23.123 14.814 533 HA ASP 81 HA ASP 81 -12.025 -25.897 15.622 534 1HB ASP 81 1HB ASP 81 -14.092 -25.058 14.437 535 2HB ASP 81 2HB ASP 81 -13.088 -24.754 13.019 536 H MET 82 H MET 82 -10.464 -27.247 14.662 537 HA MET 82 HA MET 82 -8.722 -26.067 12.539 538 1HB MET 82 1HB MET 82 -6.761 -26.869 13.902 539 2HB MET 82 2HB MET 82 -7.678 -25.580 14.683 540 1HG MET 82 1HG MET 82 -8.653 -27.036 16.235 541 2HG MET 82 2HG MET 82 -8.384 -28.452 15.220 542 1HE MET 82 1HE MET 82 -8.085 -28.386 18.032 543 2HE MET 82 2HE MET 82 -7.149 -29.809 17.554 544 3HE MET 82 3HE MET 82 -6.464 -28.637 18.677 545 H ASP 83 H ASP 83 -7.458 -27.747 11.403 546 HA ASP 83 HA ASP 83 -8.973 -30.230 11.077 547 1HB ASP 83 1HB ASP 83 -7.330 -30.584 9.272 548 2HB ASP 83 2HB ASP 83 -7.947 -28.934 9.221 549 H MET 84 H MET 84 -8.059 -32.370 11.396 550 HA MET 84 HA MET 84 -6.739 -32.861 13.832 551 1HB MET 84 1HB MET 84 -6.931 -34.399 11.228 552 2HB MET 84 2HB MET 84 -6.252 -35.102 12.695 553 1HG MET 84 1HG MET 84 -8.943 -33.773 12.805 554 2HG MET 84 2HG MET 84 -8.812 -35.413 12.169 555 1HE MET 84 1HE MET 84 -8.135 -37.421 13.347 556 2HE MET 84 2HE MET 84 -8.674 -37.628 15.012 557 3HE MET 84 3HE MET 84 -9.794 -37.020 13.784 558 H GLN 85 H GLN 85 -4.520 -33.285 14.348 559 HA GLN 85 HA GLN 85 -2.420 -33.200 12.336 560 1HB GLN 85 1HB GLN 85 -1.531 -30.972 13.225 561 2HB GLN 85 2HB GLN 85 -2.993 -30.875 12.243 562 1HG GLN 85 1HG GLN 85 -4.337 -30.360 14.051 563 2HG GLN 85 2HG GLN 85 -3.327 -31.249 15.189 564 2HE2 GLN 85 2HE2 GLN 85 -2.651 -29.677 16.681 565 1HE2 GLN 85 1HE2 GLN 85 -1.926 -28.201 16.257 566 H GLN 86 H GLN 86 -0.222 -32.687 13.623 567 HA GLN 86 HA GLN 86 -0.343 -33.739 16.406 568 1HB GLN 86 1HB GLN 86 0.731 -35.051 13.952 569 2HB GLN 86 2HB GLN 86 1.698 -35.208 15.418 570 1HG GLN 86 1HG GLN 86 -1.117 -35.628 15.990 571 2HG GLN 86 2HG GLN 86 -0.562 -36.727 14.728 572 2HE2 GLN 86 2HE2 GLN 86 -0.661 -38.555 16.268 573 1HE2 GLN 86 1HE2 GLN 86 0.526 -38.736 17.468 574 H ILE 87 H ILE 87 0.493 -31.226 14.746 575 HA ILE 87 HA ILE 87 3.380 -31.020 15.240 576 HB ILE 87 HB ILE 87 2.136 -30.010 13.308 577 1HG1 ILE 87 1HG1 ILE 87 3.322 -27.887 13.356 578 2HG1 ILE 87 2HG1 ILE 87 3.438 -27.951 15.115 579 1HG2 ILE 87 1HG2 ILE 87 0.960 -28.329 15.538 580 2HG2 ILE 87 2HG2 ILE 87 0.879 -27.877 13.834 581 3HG2 ILE 87 3HG2 ILE 87 0.086 -29.349 14.395 582 1HD1 ILE 87 1HD1 ILE 87 4.554 -30.189 13.440 583 2HD1 ILE 87 2HD1 ILE 87 5.491 -28.717 13.691 584 3HD1 ILE 87 3HD1 ILE 87 5.005 -29.698 15.073 585 H LEU 88 H LEU 88 0.406 -30.135 16.879 586 HA LEU 88 HA LEU 88 2.040 -28.804 19.020 587 1HB LEU 88 1HB LEU 88 -0.253 -27.952 17.434 588 2HB LEU 88 2HB LEU 88 -0.596 -27.862 19.162 589 HG LEU 88 HG LEU 88 1.687 -26.690 19.376 590 1HD1 LEU 88 1HD1 LEU 88 1.254 -26.660 16.384 591 2HD1 LEU 88 2HD1 LEU 88 2.255 -25.455 17.195 592 3HD1 LEU 88 3HD1 LEU 88 2.694 -27.161 17.273 593 1HD2 LEU 88 1HD2 LEU 88 -0.503 -25.535 19.555 594 2HD2 LEU 88 2HD2 LEU 88 0.710 -24.514 18.783 595 3HD2 LEU 88 3HD2 LEU 88 -0.518 -25.318 17.805 596 H SER 89 H SER 89 0.205 -28.629 21.007 597 HA SER 89 HA SER 89 -0.836 -31.416 21.395 598 1HB SER 89 1HB SER 89 1.404 -30.775 22.502 599 2HB SER 89 2HB SER 89 0.450 -29.710 23.536 600 HG SER 89 HG SER 89 0.769 -32.377 23.669 601 H ASP 90 H ASP 90 -2.714 -31.536 22.774 602 HA ASP 90 HA ASP 90 -4.607 -29.433 22.543 603 1HB ASP 90 1HB ASP 90 -4.540 -32.068 23.339 604 2HB ASP 90 2HB ASP 90 -4.887 -31.239 24.857 605 H GLU 91 H GLU 91 -2.345 -30.231 25.155 606 HA GLU 91 HA GLU 91 -3.318 -28.474 27.166 607 1HB GLU 91 1HB GLU 91 -0.420 -29.107 26.538 608 2HB GLU 91 2HB GLU 91 -1.128 -28.789 28.121 609 1HG GLU 91 1HG GLU 91 -2.674 -30.874 27.315 610 2HG GLU 91 2HG GLU 91 -1.162 -31.270 26.496 611 H GLU 92 H GLU 92 -1.309 -27.860 24.321 612 HA GLU 92 HA GLU 92 -0.485 -25.194 25.050 613 1HB GLU 92 1HB GLU 92 -0.572 -26.951 22.646 614 2HB GLU 92 2HB GLU 92 -0.405 -25.220 22.348 615 1HG GLU 92 1HG GLU 92 1.335 -25.857 24.501 616 2HG GLU 92 2HG GLU 92 1.589 -27.086 23.261 617 H VAL 93 H VAL 93 -3.292 -26.509 23.319 618 HA VAL 93 HA VAL 93 -4.361 -23.870 22.629 619 HB VAL 93 HB VAL 93 -5.291 -26.744 22.496 620 1HG1 VAL 93 1HG1 VAL 93 -7.237 -25.252 23.013 621 2HG1 VAL 93 2HG1 VAL 93 -6.851 -24.312 21.571 622 3HG1 VAL 93 3HG1 VAL 93 -7.342 -25.999 21.419 623 1HG2 VAL 93 1HG2 VAL 93 -3.632 -25.402 20.869 624 2HG2 VAL 93 2HG2 VAL 93 -4.772 -26.601 20.256 625 3HG2 VAL 93 3HG2 VAL 93 -5.166 -24.884 20.167 626 H GLU 94 H GLU 94 -4.675 -26.181 25.252 627 HA GLU 94 HA GLU 94 -7.087 -24.930 26.374 628 1HB GLU 94 1HB GLU 94 -5.432 -27.305 26.708 629 2HB GLU 94 2HB GLU 94 -5.856 -26.596 28.265 630 1HG GLU 94 1HG GLU 94 -8.240 -26.578 27.602 631 2HG GLU 94 2HG GLU 94 -7.810 -27.308 26.055 632 H GLU 95 H GLU 95 -3.586 -24.938 27.032 633 HA GLU 95 HA GLU 95 -4.040 -22.954 29.227 634 1HB GLU 95 1HB GLU 95 -2.721 -25.246 29.332 635 2HB GLU 95 2HB GLU 95 -1.423 -24.288 28.618 636 1HG GLU 95 1HG GLU 95 -1.205 -22.940 30.490 637 2HG GLU 95 2HG GLU 95 -2.887 -23.161 30.974 638 H LYS 96 H LYS 96 -2.085 -23.505 26.281 639 HA LYS 96 HA LYS 96 -0.862 -20.838 26.463 640 1HB LYS 96 1HB LYS 96 -0.390 -23.343 25.208 641 2HB LYS 96 2HB LYS 96 -0.533 -22.144 23.925 642 1HG LYS 96 1HG LYS 96 1.789 -22.240 24.649 643 2HG LYS 96 2HG LYS 96 1.099 -20.701 25.164 644 1HD LYS 96 1HD LYS 96 1.785 -21.223 27.252 645 2HD LYS 96 2HD LYS 96 0.519 -22.451 27.265 646 1HE LYS 96 1HE LYS 96 2.498 -23.672 27.767 647 2HE LYS 96 2HE LYS 96 2.280 -23.941 26.028 648 1HZ LYS 96 1HZ LYS 96 3.589 -21.711 25.868 649 2HZ LYS 96 2HZ LYS 96 4.146 -22.133 27.416 650 3HZ LYS 96 3HZ LYS 96 4.435 -23.165 26.098 651 H ASP 97 H ASP 97 -3.753 -22.147 25.101 652 HA ASP 97 HA ASP 97 -5.420 -21.132 23.757 653 1HB ASP 97 1HB ASP 97 -3.844 -18.994 25.054 654 2HB ASP 97 2HB ASP 97 -4.736 -18.475 23.619 655 H VAL 98 H VAL 98 -2.649 -21.981 22.662 656 HA VAL 98 HA VAL 98 -2.337 -20.183 20.337 657 HB VAL 98 HB VAL 98 -0.431 -21.139 21.640 658 1HG1 VAL 98 1HG1 VAL 98 -1.498 -23.739 20.499 659 2HG1 VAL 98 2HG1 VAL 98 0.083 -23.563 21.261 660 3HG1 VAL 98 3HG1 VAL 98 -1.384 -23.305 22.205 661 1HG2 VAL 98 1HG2 VAL 98 -0.671 -20.828 18.910 662 2HG2 VAL 98 2HG2 VAL 98 0.843 -21.123 19.765 663 3HG2 VAL 98 3HG2 VAL 98 -0.043 -22.470 19.048 664 H ARG 99 H ARG 99 -2.558 -20.944 18.153 665 HA ARG 99 HA ARG 99 -3.711 -23.601 17.629 666 1HB ARG 99 1HB ARG 99 -5.297 -21.208 18.094 667 2HB ARG 99 2HB ARG 99 -5.578 -21.842 16.473 668 1HG ARG 99 1HG ARG 99 -6.894 -23.436 17.364 669 2HG ARG 99 2HG ARG 99 -5.491 -24.080 18.214 670 1HD ARG 99 1HD ARG 99 -6.017 -22.963 20.196 671 2HD ARG 99 2HD ARG 99 -6.908 -21.681 19.354 672 HE ARG 99 HE ARG 99 -8.056 -24.377 19.061 673 1HH1 ARG 99 1HH1 ARG 99 -8.775 -21.190 19.602 674 2HH1 ARG 99 2HH1 ARG 99 -10.000 -21.464 20.796 675 1HH2 ARG 99 1HH2 ARG 99 -9.299 -24.843 21.126 676 2HH2 ARG 99 2HH2 ARG 99 -10.298 -23.531 21.657 677 H LEU 100 H LEU 100 -4.662 -23.231 15.095 678 HA LEU 100 HA LEU 100 -2.313 -22.053 13.649 679 1HB LEU 100 1HB LEU 100 -4.206 -24.344 13.047 680 2HB LEU 100 2HB LEU 100 -3.014 -23.745 11.893 681 HG LEU 100 HG LEU 100 -1.435 -24.050 14.075 682 1HD1 LEU 100 1HD1 LEU 100 -3.780 -25.907 14.363 683 2HD1 LEU 100 2HD1 LEU 100 -2.180 -26.441 14.877 684 3HD1 LEU 100 3HD1 LEU 100 -2.910 -25.012 15.609 685 1HD2 LEU 100 1HD2 LEU 100 -1.544 -25.117 11.608 686 2HD2 LEU 100 2HD2 LEU 100 -0.444 -25.722 12.847 687 3HD2 LEU 100 3HD2 LEU 100 -1.972 -26.549 12.545 688 H THR 101 H THR 101 -2.934 -20.061 12.881 689 HA THR 101 HA THR 101 -5.715 -19.448 12.201 690 HB THR 101 HB THR 101 -4.539 -17.268 11.495 691 HG1 THR 101 HG1 THR 101 -2.425 -17.160 11.748 692 1HG2 THR 101 1HG2 THR 101 -4.180 -18.398 14.283 693 2HG2 THR 101 2HG2 THR 101 -4.000 -16.692 13.872 694 3HG2 THR 101 3HG2 THR 101 -5.564 -17.484 13.683 695 H CYS 102 H CYS 102 -2.844 -20.490 10.477 696 HA CYS 102 HA CYS 102 -3.647 -19.605 7.845 697 1HB CYS 102 1HB CYS 102 -1.849 -21.149 7.142 698 2HB CYS 102 2HB CYS 102 -1.337 -20.185 8.526 699 H ILE 103 H ILE 103 -4.360 -22.457 9.790 700 HA ILE 103 HA ILE 103 -6.192 -23.390 7.610 701 HB ILE 103 HB ILE 103 -5.458 -25.703 8.213 702 1HG1 ILE 103 1HG1 ILE 103 -3.006 -25.157 9.498 703 2HG1 ILE 103 2HG1 ILE 103 -4.226 -24.239 10.380 704 1HG2 ILE 103 1HG2 ILE 103 -3.366 -23.694 7.350 705 2HG2 ILE 103 2HG2 ILE 103 -3.096 -25.436 7.295 706 3HG2 ILE 103 3HG2 ILE 103 -4.373 -24.711 6.320 707 1HD1 ILE 103 1HD1 ILE 103 -5.485 -26.664 9.928 708 2HD1 ILE 103 2HD1 ILE 103 -3.815 -27.140 10.235 709 3HD1 ILE 103 3HD1 ILE 103 -4.694 -26.191 11.433 710 H GLY 104 H GLY 104 -6.649 -21.869 10.183 711 1HA GLY 104 1HA GLY 104 -7.592 -22.632 12.414 712 2HA GLY 104 2HA GLY 104 -8.438 -23.879 11.497 713 H SER 105 H SER 105 -10.503 -23.078 12.185 714 HA SER 105 HA SER 105 -11.253 -20.386 11.099 715 1HB SER 105 1HB SER 105 -11.971 -22.033 9.502 716 2HB SER 105 2HB SER 105 -12.583 -23.089 10.777 717 HG SER 105 HG SER 105 -14.384 -22.099 10.292 718 HA PRO 106 HA PRO 106 -13.056 -19.899 15.089 719 1HB PRO 106 1HB PRO 106 -14.808 -17.875 14.512 720 2HB PRO 106 2HB PRO 106 -13.059 -17.629 14.661 721 1HG PRO 106 1HG PRO 106 -14.739 -17.902 12.215 722 2HG PRO 106 2HG PRO 106 -13.359 -16.837 12.521 723 1HD PRO 106 1HD PRO 106 -13.202 -19.149 11.070 724 2HD PRO 106 2HD PRO 106 -11.833 -18.453 11.963 725 H ALA 107 H ALA 107 -14.846 -20.761 16.167 726 HA ALA 107 HA ALA 107 -17.107 -21.729 14.447 727 1HB ALA 107 1HB ALA 107 -16.264 -22.862 17.114 728 2HB ALA 107 2HB ALA 107 -17.138 -23.664 15.809 729 3HB ALA 107 3HB ALA 107 -15.418 -23.314 15.635 730 H ALA 108 H ALA 108 -16.222 -19.735 17.118 731 HA ALA 108 HA ALA 108 -18.997 -19.706 18.203 732 1HB ALA 108 1HB ALA 108 -16.250 -19.029 19.108 733 2HB ALA 108 2HB ALA 108 -17.541 -18.010 19.747 734 3HB ALA 108 3HB ALA 108 -17.582 -19.754 20.009 735 H ASP 109 H ASP 109 -20.226 -17.765 18.229 736 HA ASP 109 HA ASP 109 -20.130 -16.025 16.028 737 1HB ASP 109 1HB ASP 109 -21.616 -14.614 17.454 738 2HB ASP 109 2HB ASP 109 -22.043 -16.322 17.540 739 H GLU 110 H GLU 110 -18.471 -15.784 19.143 740 HA GLU 110 HA GLU 110 -16.885 -13.494 18.052 741 1HB GLU 110 1HB GLU 110 -18.774 -12.765 19.548 742 2HB GLU 110 2HB GLU 110 -18.046 -13.709 20.848 743 1HG GLU 110 1HG GLU 110 -17.328 -11.392 21.063 744 2HG GLU 110 2HG GLU 110 -15.946 -12.374 20.570 745 H VAL 111 H VAL 111 -14.771 -14.167 18.095 746 HA VAL 111 HA VAL 111 -13.868 -15.809 20.438 747 HB VAL 111 HB VAL 111 -13.157 -16.095 17.501 748 1HG1 VAL 111 1HG1 VAL 111 -11.455 -16.651 19.467 749 2HG1 VAL 111 2HG1 VAL 111 -12.451 -18.101 19.609 750 3HG1 VAL 111 3HG1 VAL 111 -11.631 -17.738 18.090 751 1HG2 VAL 111 1HG2 VAL 111 -14.989 -17.577 19.376 752 2HG2 VAL 111 2HG2 VAL 111 -15.306 -17.019 17.733 753 3HG2 VAL 111 3HG2 VAL 111 -14.255 -18.409 18.004 754 H LYS 112 H LYS 112 -12.529 -14.410 21.539 755 HA LYS 112 HA LYS 112 -10.971 -12.341 20.162 756 1HB LYS 112 1HB LYS 112 -11.480 -13.290 22.965 757 2HB LYS 112 2HB LYS 112 -10.114 -12.216 22.668 758 1HG LYS 112 1HG LYS 112 -11.613 -10.576 21.615 759 2HG LYS 112 2HG LYS 112 -12.984 -11.659 21.853 760 1HD LYS 112 1HD LYS 112 -12.186 -11.589 24.378 761 2HD LYS 112 2HD LYS 112 -11.448 -10.068 23.877 762 1HE LYS 112 1HE LYS 112 -13.521 -9.077 23.390 763 2HE LYS 112 2HE LYS 112 -14.327 -10.642 23.179 764 1HZ LYS 112 1HZ LYS 112 -13.074 -9.968 25.761 765 2HZ LYS 112 2HZ LYS 112 -14.615 -9.349 25.400 766 3HZ LYS 112 3HZ LYS 112 -14.363 -11.028 25.441 767 H ILE 113 H ILE 113 -8.743 -12.420 19.770 768 HA ILE 113 HA ILE 113 -7.066 -14.549 20.893 769 HB ILE 113 HB ILE 113 -8.110 -15.808 19.159 770 1HG1 ILE 113 1HG1 ILE 113 -5.497 -14.654 18.141 771 2HG1 ILE 113 2HG1 ILE 113 -5.698 -16.099 19.134 772 1HG2 ILE 113 1HG2 ILE 113 -8.368 -13.221 17.949 773 2HG2 ILE 113 2HG2 ILE 113 -7.586 -14.304 16.798 774 3HG2 ILE 113 3HG2 ILE 113 -9.154 -14.730 17.483 775 1HD1 ILE 113 1HD1 ILE 113 -7.232 -16.926 17.189 776 2HD1 ILE 113 2HD1 ILE 113 -6.417 -15.683 16.238 777 3HD1 ILE 113 3HD1 ILE 113 -5.484 -16.988 16.968 778 H VAL 114 H VAL 114 -4.793 -14.255 20.306 779 HA VAL 114 HA VAL 114 -4.192 -11.440 19.502 780 HB VAL 114 HB VAL 114 -3.223 -13.383 21.477 781 1HG1 VAL 114 1HG1 VAL 114 -1.180 -11.854 19.836 782 2HG1 VAL 114 2HG1 VAL 114 -0.844 -12.631 21.384 783 3HG1 VAL 114 3HG1 VAL 114 -1.302 -13.606 19.988 784 1HG2 VAL 114 1HG2 VAL 114 -4.134 -10.918 21.636 785 2HG2 VAL 114 2HG2 VAL 114 -2.877 -11.464 22.746 786 3HG2 VAL 114 3HG2 VAL 114 -2.449 -10.488 21.339 787 H TYR 115 H TYR 115 -2.961 -11.082 17.645 788 HA TYR 115 HA TYR 115 -2.245 -13.493 16.051 789 1HB TYR 115 1HB TYR 115 -2.807 -12.215 14.234 790 2HB TYR 115 2HB TYR 115 -3.694 -11.290 15.439 791 HD1 TYR 115 HD1 TYR 115 -2.268 -9.399 16.665 792 HD2 TYR 115 HD2 TYR 115 -1.319 -11.103 12.836 793 HE1 TYR 115 HE1 TYR 115 -0.916 -7.399 16.108 794 HE2 TYR 115 HE2 TYR 115 0.034 -9.100 12.281 795 HH TYR 115 HH TYR 115 0.607 -7.037 12.915 796 H ASN 116 H ASN 116 -0.157 -13.614 15.022 797 HA ASN 116 HA ASN 116 2.177 -13.250 14.820 798 1HB ASN 116 1HB ASN 116 1.100 -10.769 15.190 799 2HB ASN 116 2HB ASN 116 2.143 -10.885 16.608 800 2HD2 ASN 116 2HD2 ASN 116 2.806 -9.035 14.585 801 1HD2 ASN 116 1HD2 ASN 116 4.196 -9.567 13.768 802 H ALA 117 H ALA 117 1.471 -15.144 16.586 803 HA ALA 117 HA ALA 117 2.308 -14.609 19.325 804 1HB ALA 117 1HB ALA 117 1.895 -16.979 19.587 805 2HB ALA 117 2HB ALA 117 0.664 -16.347 18.493 806 3HB ALA 117 3HB ALA 117 2.038 -17.245 17.850 807 H LYS 118 H LYS 118 3.923 -15.642 16.386 808 HA LYS 118 HA LYS 118 6.180 -17.003 17.292 809 1HB LYS 118 1HB LYS 118 7.303 -15.857 15.340 810 2HB LYS 118 2HB LYS 118 5.723 -16.540 14.950 811 1HG LYS 118 1HG LYS 118 4.730 -14.474 14.737 812 2HG LYS 118 2HG LYS 118 5.781 -13.728 15.941 813 1HD LYS 118 1HD LYS 118 7.054 -14.681 13.415 814 2HD LYS 118 2HD LYS 118 6.060 -13.228 13.321 815 1HE LYS 118 1HE LYS 118 7.406 -12.102 14.976 816 2HE LYS 118 2HE LYS 118 8.269 -13.599 15.371 817 H HIS 119 H HIS 119 5.322 -13.659 17.840 818 HA HIS 119 HA HIS 119 7.868 -12.546 18.459 819 1HB HIS 119 1HB HIS 119 5.022 -12.059 19.342 820 2HB HIS 119 2HB HIS 119 6.344 -11.062 19.951 821 HD1 HIS 119 HD1 HIS 119 8.049 -10.419 17.670 822 HD2 HIS 119 HD2 HIS 119 3.926 -10.776 17.169 823 HE1 HIS 119 HE1 HIS 119 7.474 -9.165 15.546 824 H LEU 120 H LEU 120 5.656 -14.541 20.371 825 HA LEU 120 HA LEU 120 6.554 -14.223 22.976 826 1HB LEU 120 1HB LEU 120 5.162 -16.131 21.410 827 2HB LEU 120 2HB LEU 120 6.373 -17.031 22.322 828 HG LEU 120 HG LEU 120 4.822 -14.938 23.783 829 1HD1 LEU 120 1HD1 LEU 120 3.313 -16.508 22.253 830 2HD1 LEU 120 2HD1 LEU 120 3.620 -17.671 23.544 831 3HD1 LEU 120 3HD1 LEU 120 2.840 -16.133 23.912 832 1HD2 LEU 120 1HD2 LEU 120 6.711 -16.552 24.627 833 2HD2 LEU 120 2HD2 LEU 120 5.291 -16.288 25.639 834 3HD2 LEU 120 3HD2 LEU 120 5.420 -17.752 24.664 835 H ASP 121 H ASP 121 8.606 -14.227 23.803 836 HA ASP 121 HA ASP 121 10.893 -15.224 22.336 837 1HB ASP 121 1HB ASP 121 10.352 -14.196 25.126 838 2HB ASP 121 2HB ASP 121 11.962 -14.730 24.642 839 H TYR 122 H TYR 122 9.010 -16.441 25.110 840 HA TYR 122 HA TYR 122 10.620 -18.651 25.835 841 1HB TYR 122 1HB TYR 122 8.372 -17.571 26.747 842 2HB TYR 122 2HB TYR 122 7.625 -18.833 25.769 843 HD1 TYR 122 HD1 TYR 122 8.144 -21.236 26.213 844 HD2 TYR 122 HD2 TYR 122 9.563 -18.087 28.767 845 HE1 TYR 122 HE1 TYR 122 8.637 -22.898 27.986 846 HE2 TYR 122 HE2 TYR 122 10.058 -19.749 30.541 847 HH TYR 122 HH TYR 122 9.044 -23.091 30.260 848 H LEU 123 H LEU 123 8.717 -18.118 22.990 849 HA LEU 123 HA LEU 123 8.772 -21.019 22.279 850 1HB LEU 123 1HB LEU 123 6.921 -18.911 22.022 851 2HB LEU 123 2HB LEU 123 7.502 -19.223 20.386 852 HG LEU 123 HG LEU 123 6.282 -21.222 22.309 853 1HD1 LEU 123 1HD1 LEU 123 5.164 -19.517 20.384 854 2HD1 LEU 123 2HD1 LEU 123 5.247 -21.093 19.594 855 3HD1 LEU 123 3HD1 LEU 123 4.386 -20.916 21.123 856 1HD2 LEU 123 1HD2 LEU 123 7.975 -21.565 19.875 857 2HD2 LEU 123 2HD2 LEU 123 7.840 -22.593 21.302 858 3HD2 LEU 123 3HD2 LEU 123 6.590 -22.641 20.059 859 H GLN 124 H GLN 124 9.884 -17.826 21.181 860 HA GLN 124 HA GLN 124 10.942 -18.536 18.651 861 1HB GLN 124 1HB GLN 124 11.058 -16.388 20.580 862 2HB GLN 124 2HB GLN 124 12.654 -16.641 19.873 863 1HG GLN 124 1HG GLN 124 11.644 -16.545 17.608 864 2HG GLN 124 2HG GLN 124 10.068 -16.236 18.337 865 2HE2 GLN 124 2HE2 GLN 124 10.946 -14.456 20.444 866 1HE2 GLN 124 1HE2 GLN 124 11.495 -13.022 19.719 867 H ASN 125 H ASN 125 12.000 -19.442 21.813 868 HA ASN 125 HA ASN 125 14.805 -19.833 21.304 869 1HB ASN 125 1HB ASN 125 12.740 -20.588 23.291 870 2HB ASN 125 2HB ASN 125 14.143 -21.655 23.223 871 2HD2 ASN 125 2HD2 ASN 125 13.246 -19.420 25.209 872 1HD2 ASN 125 1HD2 ASN 125 14.641 -18.468 25.381 873 H ARG 126 H ARG 126 11.936 -21.729 20.579 874 HA ARG 126 HA ARG 126 13.612 -24.045 19.721 875 1HB ARG 126 1HB ARG 126 10.742 -23.542 20.447 876 2HB ARG 126 2HB ARG 126 11.128 -24.926 19.425 877 1HG ARG 126 1HG ARG 126 11.256 -25.811 21.607 878 2HG ARG 126 2HG ARG 126 12.938 -25.461 21.212 879 1HD ARG 126 1HD ARG 126 13.032 -23.634 22.655 880 2HD ARG 126 2HD ARG 126 11.291 -23.321 22.532 881 HE ARG 126 HE ARG 126 12.290 -25.804 23.874 882 1HH1 ARG 126 1HH1 ARG 126 9.532 -24.082 23.402 883 2HH1 ARG 126 2HH1 ARG 126 9.139 -23.852 25.073 884 1HH2 ARG 126 1HH2 ARG 126 12.204 -24.993 26.225 885 2HH2 ARG 126 2HH2 ARG 126 10.651 -24.368 26.672 886 H VAL 127 H VAL 127 12.756 -21.235 18.372 887 HA VAL 127 HA VAL 127 11.299 -21.628 16.036 888 HB VAL 127 HB VAL 127 12.296 -19.506 16.830 889 1HG1 VAL 127 1HG1 VAL 127 14.519 -20.679 17.396 890 2HG1 VAL 127 2HG1 VAL 127 14.917 -20.481 15.689 891 3HG1 VAL 127 3HG1 VAL 127 14.626 -19.063 16.696 892 1HG2 VAL 127 1HG2 VAL 127 11.643 -19.884 14.399 893 2HG2 VAL 127 2HG2 VAL 127 12.812 -18.591 14.671 894 3HG2 VAL 127 3HG2 VAL 127 13.354 -20.158 14.068 895 H ILE 128 H ILE 128 14.634 -22.644 16.702 896 HA ILE 128 HA ILE 128 15.372 -23.379 14.038 897 HB ILE 128 HB ILE 128 16.176 -24.419 16.773 898 1HG1 ILE 128 1HG1 ILE 128 18.130 -22.834 15.356 899 2HG1 ILE 128 2HG1 ILE 128 16.608 -21.951 15.461 900 1HG2 ILE 128 1HG2 ILE 128 17.255 -24.937 14.007 901 2HG2 ILE 128 2HG2 ILE 128 18.311 -25.022 15.416 902 3HG2 ILE 128 3HG2 ILE 128 16.918 -26.095 15.292 903 1HD1 ILE 128 1HD1 ILE 128 17.199 -23.289 17.969 904 2HD1 ILE 128 2HD1 ILE 128 18.530 -22.234 17.492 905 3HD1 ILE 128 3HD1 ILE 128 16.903 -21.576 17.666 No H/Q in entry = 905 Start of MODEL 7 1 H2 PRO 1 H2 PRO 1 -20.130 -13.384 12.986 2 H3 PRO 1 H3 PRO 1 -20.623 -14.997 13.217 3 HA PRO 1 HA PRO 1 -18.494 -15.592 13.252 4 1HB PRO 1 1HB PRO 1 -17.497 -15.050 10.761 5 2HB PRO 1 2HB PRO 1 -18.655 -16.357 11.078 6 1HG PRO 1 1HG PRO 1 -19.124 -13.630 9.972 7 2HG PRO 1 2HG PRO 1 -19.844 -15.175 9.502 8 1HD PRO 1 1HD PRO 1 -21.115 -13.342 11.065 9 2HD PRO 1 2HD PRO 1 -21.423 -15.086 11.161 10 H THR 2 H THR 2 -18.284 -13.526 14.740 11 HA THR 2 HA THR 2 -16.373 -11.581 13.491 12 HB THR 2 HB THR 2 -18.053 -11.296 16.000 13 HG1 THR 2 HG1 THR 2 -19.551 -11.362 14.475 14 1HG2 THR 2 1HG2 THR 2 -15.976 -9.737 14.802 15 2HG2 THR 2 2HG2 THR 2 -17.491 -8.846 14.656 16 3HG2 THR 2 3HG2 THR 2 -16.925 -9.369 16.242 17 H VAL 3 H VAL 3 -14.324 -11.465 14.356 18 HA VAL 3 HA VAL 3 -13.806 -12.797 16.986 19 HB VAL 3 HB VAL 3 -12.428 -13.197 14.316 20 1HG1 VAL 3 1HG1 VAL 3 -11.201 -13.102 16.854 21 2HG1 VAL 3 2HG1 VAL 3 -11.378 -14.815 16.475 22 3HG1 VAL 3 3HG1 VAL 3 -10.514 -13.752 15.365 23 1HG2 VAL 3 1HG2 VAL 3 -14.485 -14.570 15.682 24 2HG2 VAL 3 2HG2 VAL 3 -13.607 -15.115 14.253 25 3HG2 VAL 3 3HG2 VAL 3 -13.039 -15.562 15.862 26 H GLU 4 H GLU 4 -12.858 -11.257 18.270 27 HA GLU 4 HA GLU 4 -11.675 -8.842 17.122 28 1HB GLU 4 1HB GLU 4 -12.831 -9.727 19.546 29 2HB GLU 4 2HB GLU 4 -11.177 -9.258 19.940 30 1HG GLU 4 1HG GLU 4 -11.512 -7.049 19.323 31 2HG GLU 4 2HG GLU 4 -12.778 -7.455 18.165 32 H TYR 5 H TYR 5 -9.648 -9.022 16.221 33 HA TYR 5 HA TYR 5 -7.672 -10.914 17.358 34 1HB TYR 5 1HB TYR 5 -6.385 -10.215 15.360 35 2HB TYR 5 2HB TYR 5 -8.029 -10.678 14.923 36 HD1 TYR 5 HD1 TYR 5 -5.779 -7.791 15.559 37 HD2 TYR 5 HD2 TYR 5 -9.575 -9.085 14.023 38 HE1 TYR 5 HE1 TYR 5 -6.151 -5.541 14.580 39 HE2 TYR 5 HE2 TYR 5 -9.947 -6.838 13.044 40 HH TYR 5 HH TYR 5 -7.546 -4.230 13.467 41 H LEU 6 H LEU 6 -5.902 -10.271 18.568 42 HA LEU 6 HA LEU 6 -5.493 -7.325 18.982 43 1HB LEU 6 1HB LEU 6 -6.377 -9.330 20.778 44 2HB LEU 6 2HB LEU 6 -4.716 -8.958 21.238 45 HG LEU 6 HG LEU 6 -7.013 -7.003 20.956 46 1HD1 LEU 6 1HD1 LEU 6 -6.186 -8.562 23.097 47 2HD1 LEU 6 2HD1 LEU 6 -5.379 -7.020 23.390 48 3HD1 LEU 6 3HD1 LEU 6 -7.134 -7.080 23.217 49 1HD2 LEU 6 1HD2 LEU 6 -4.214 -6.588 20.527 50 2HD2 LEU 6 2HD2 LEU 6 -5.500 -5.382 20.567 51 3HD2 LEU 6 3HD2 LEU 6 -4.654 -5.819 22.051 52 H ASN 7 H ASN 7 -3.395 -6.691 18.619 53 HA ASN 7 HA ASN 7 -1.396 -8.491 17.630 54 1HB ASN 7 1HB ASN 7 -1.594 -6.074 17.126 55 2HB ASN 7 2HB ASN 7 -1.180 -5.698 18.798 56 2HD2 ASN 7 2HD2 ASN 7 0.714 -4.522 17.673 57 1HD2 ASN 7 1HD2 ASN 7 2.097 -5.436 17.310 58 H TYR 8 H TYR 8 -0.141 -9.883 18.819 59 HA TYR 8 HA TYR 8 -0.117 -10.021 21.667 60 1HB TYR 8 1HB TYR 8 0.493 -11.927 20.365 61 2HB TYR 8 2HB TYR 8 1.703 -11.015 19.462 62 HD1 TYR 8 HD1 TYR 8 0.891 -12.559 22.724 63 HD2 TYR 8 HD2 TYR 8 3.902 -10.585 20.382 64 HE1 TYR 8 HE1 TYR 8 2.608 -13.188 24.400 65 HE2 TYR 8 HE2 TYR 8 5.619 -11.213 22.060 66 HH TYR 8 HH TYR 8 5.869 -11.924 24.254 67 H GLU 9 H GLU 9 1.943 -8.286 19.376 68 HA GLU 9 HA GLU 9 4.052 -7.555 21.172 69 1HB GLU 9 1HB GLU 9 3.684 -7.372 18.557 70 2HB GLU 9 2HB GLU 9 3.070 -5.769 18.965 71 1HG GLU 9 1HG GLU 9 5.384 -5.926 20.468 72 2HG GLU 9 2HG GLU 9 5.829 -6.777 18.989 73 H THR 10 H THR 10 0.887 -6.110 20.479 74 HA THR 10 HA THR 10 1.252 -3.636 21.869 75 HB THR 10 HB THR 10 -1.190 -5.374 21.377 76 HG1 THR 10 HG1 THR 10 0.147 -3.349 19.947 77 1HG2 THR 10 1HG2 THR 10 -1.015 -3.195 23.069 78 2HG2 THR 10 2HG2 THR 10 -1.547 -2.470 21.552 79 3HG2 THR 10 3HG2 THR 10 -2.490 -3.765 22.290 80 H LEU 11 H LEU 11 0.070 -6.825 22.955 81 HA LEU 11 HA LEU 11 -0.598 -6.084 25.635 82 1HB LEU 11 1HB LEU 11 -1.382 -8.155 24.801 83 2HB LEU 11 2HB LEU 11 0.212 -8.616 24.204 84 HG LEU 11 HG LEU 11 1.029 -8.877 26.494 85 1HD1 LEU 11 1HD1 LEU 11 -0.430 -7.056 27.441 86 2HD1 LEU 11 2HD1 LEU 11 -1.787 -8.181 27.376 87 3HD1 LEU 11 3HD1 LEU 11 -0.404 -8.526 28.415 88 1HD2 LEU 11 1HD2 LEU 11 -1.623 -10.250 25.964 89 2HD2 LEU 11 2HD2 LEU 11 -0.018 -10.840 25.529 90 3HD2 LEU 11 3HD2 LEU 11 -0.492 -10.742 27.225 91 H ASP 12 H ASP 12 2.436 -7.245 24.170 92 HA ASP 12 HA ASP 12 3.891 -7.230 26.709 93 1HB ASP 12 1HB ASP 12 4.140 -8.331 24.145 94 2HB ASP 12 2HB ASP 12 5.469 -7.177 24.256 95 H ASP 13 H ASP 13 3.716 -5.145 23.818 96 HA ASP 13 HA ASP 13 5.756 -3.289 24.584 97 1HB ASP 13 1HB ASP 13 4.688 -3.600 22.330 98 2HB ASP 13 2HB ASP 13 3.232 -2.831 22.962 99 H GLN 14 H GLN 14 2.245 -3.356 25.209 100 HA GLN 14 HA GLN 14 2.296 -0.807 26.657 101 1HB GLN 14 1HB GLN 14 0.411 -1.920 25.262 102 2HB GLN 14 2HB GLN 14 0.128 -2.909 26.693 103 1HG GLN 14 1HG GLN 14 -0.985 -1.221 27.684 104 2HG GLN 14 2HG GLN 14 0.399 -0.148 27.474 105 2HE2 GLN 14 2HE2 GLN 14 -1.788 -1.700 25.055 106 1HE2 GLN 14 1HE2 GLN 14 -2.232 -0.243 24.306 107 H GLY 15 H GLY 15 2.848 -4.138 27.417 108 1HA GLY 15 1HA GLY 15 3.487 -3.498 30.173 109 2HA GLY 15 2HA GLY 15 3.509 -5.109 29.458 110 H TRP 16 H TRP 16 0.700 -4.818 28.505 111 HA TRP 16 HA TRP 16 -0.936 -4.488 30.922 112 1HB TRP 16 1HB TRP 16 -1.237 -4.823 28.017 113 2HB TRP 16 2HB TRP 16 -2.480 -5.660 28.947 114 HD1 TRP 16 HD1 TRP 16 -4.473 -4.053 28.650 115 HE1 TRP 16 HE1 TRP 16 -4.923 -1.600 29.295 116 HE3 TRP 16 HE3 TRP 16 0.229 -2.632 30.049 117 HZ2 TRP 16 HZ2 TRP 16 -3.481 0.667 30.276 118 HZ3 TRP 16 HZ3 TRP 16 0.661 -0.321 30.834 119 HH2 TRP 16 HH2 TRP 16 -1.187 1.328 30.950 120 H ASP 17 H ASP 17 -2.618 -6.414 31.236 121 HA ASP 17 HA ASP 17 -1.027 -8.797 31.909 122 1HB ASP 17 1HB ASP 17 -3.639 -7.564 32.545 123 2HB ASP 17 2HB ASP 17 -3.636 -9.327 32.557 124 H MET 18 H MET 18 -2.659 -10.911 31.537 125 HA MET 18 HA MET 18 -2.528 -11.416 28.681 126 1HB MET 18 1HB MET 18 -3.592 -12.860 31.118 127 2HB MET 18 2HB MET 18 -3.717 -13.556 29.502 128 1HG MET 18 1HG MET 18 -1.067 -12.521 30.470 129 2HG MET 18 2HG MET 18 -1.622 -14.112 30.989 130 1HE MET 18 1HE MET 18 -2.684 -15.611 29.682 131 2HE MET 18 2HE MET 18 -2.794 -15.692 27.918 132 3HE MET 18 3HE MET 18 -1.434 -16.435 28.755 133 H ASP 19 H ASP 19 -5.271 -11.269 30.981 134 HA ASP 19 HA ASP 19 -6.973 -10.023 28.908 135 1HB ASP 19 1HB ASP 19 -8.646 -11.885 29.166 136 2HB ASP 19 2HB ASP 19 -7.136 -12.411 28.426 137 H ASP 20 H ASP 20 -5.875 -9.673 31.795 138 HA ASP 20 HA ASP 20 -8.232 -9.695 33.514 139 1HB ASP 20 1HB ASP 20 -5.925 -10.003 34.323 140 2HB ASP 20 2HB ASP 20 -5.495 -8.397 33.736 141 H ASP 21 H ASP 21 -6.285 -7.108 31.973 142 HA ASP 21 HA ASP 21 -8.175 -5.025 32.771 143 1HB ASP 21 1HB ASP 21 -6.588 -3.583 31.689 144 2HB ASP 21 2HB ASP 21 -5.654 -4.855 32.478 145 H ASP 22 H ASP 22 -8.786 -7.380 30.700 146 HA ASP 22 HA ASP 22 -10.083 -7.581 28.734 147 1HB ASP 22 1HB ASP 22 -10.980 -4.806 29.559 148 2HB ASP 22 2HB ASP 22 -11.924 -6.025 28.702 149 H LEU 23 H LEU 23 -7.529 -6.851 28.103 150 HA LEU 23 HA LEU 23 -6.803 -4.529 26.848 151 1HB LEU 23 1HB LEU 23 -6.547 -7.416 25.995 152 2HB LEU 23 2HB LEU 23 -5.733 -6.119 25.121 153 HG LEU 23 HG LEU 23 -5.132 -5.540 27.753 154 1HD1 LEU 23 1HD1 LEU 23 -5.360 -8.519 27.354 155 2HD1 LEU 23 2HD1 LEU 23 -4.182 -7.845 28.479 156 3HD1 LEU 23 3HD1 LEU 23 -5.902 -7.547 28.722 157 1HD2 LEU 23 1HD2 LEU 23 -3.717 -5.713 25.573 158 2HD2 LEU 23 2HD2 LEU 23 -2.917 -6.013 27.116 159 3HD2 LEU 23 3HD2 LEU 23 -3.403 -7.368 26.097 160 H PHE 24 H PHE 24 -8.946 -6.996 25.385 161 HA PHE 24 HA PHE 24 -9.330 -5.830 22.851 162 1HB PHE 24 1HB PHE 24 -11.016 -7.483 24.724 163 2HB PHE 24 2HB PHE 24 -11.649 -6.990 23.154 164 HD1 PHE 24 HD1 PHE 24 -10.037 -7.399 21.102 165 HD2 PHE 24 HD2 PHE 24 -9.749 -9.441 24.870 166 HE1 PHE 24 HE1 PHE 24 -8.762 -9.227 20.014 167 HE2 PHE 24 HE2 PHE 24 -8.473 -11.268 23.782 168 HZ PHE 24 HZ PHE 24 -7.979 -11.161 21.353 169 H GLU 25 H GLU 25 -10.529 -4.828 25.970 170 HA GLU 25 HA GLU 25 -12.487 -2.950 24.747 171 1HB GLU 25 1HB GLU 25 -12.095 -4.366 27.254 172 2HB GLU 25 2HB GLU 25 -12.370 -2.648 27.544 173 1HG GLU 25 1HG GLU 25 -14.145 -3.762 25.491 174 2HG GLU 25 2HG GLU 25 -14.347 -4.528 27.066 175 H LYS 26 H LYS 26 -9.405 -2.981 26.484 176 HA LYS 26 HA LYS 26 -9.320 -0.077 26.832 177 1HB LYS 26 1HB LYS 26 -8.130 -2.277 27.970 178 2HB LYS 26 2HB LYS 26 -6.829 -1.658 26.952 179 1HG LYS 26 1HG LYS 26 -6.581 -0.526 29.033 180 2HG LYS 26 2HG LYS 26 -7.353 0.645 27.964 181 1HD LYS 26 1HD LYS 26 -9.505 -0.729 29.039 182 2HD LYS 26 2HD LYS 26 -8.386 -0.621 30.399 183 1HE LYS 26 1HE LYS 26 -9.163 1.763 28.680 184 2HE LYS 26 2HE LYS 26 -9.939 1.363 30.224 185 1HZ LYS 26 1HZ LYS 26 -7.374 1.129 30.884 186 2HZ LYS 26 2HZ LYS 26 -7.241 2.332 29.694 187 3HZ LYS 26 3HZ LYS 26 -8.234 2.583 31.048 188 H ALA 27 H ALA 27 -8.103 -2.432 24.500 189 HA ALA 27 HA ALA 27 -6.196 -0.830 23.131 190 1HB ALA 27 1HB ALA 27 -7.799 -2.539 21.398 191 2HB ALA 27 2HB ALA 27 -7.417 -3.346 22.918 192 3HB ALA 27 3HB ALA 27 -6.118 -2.730 21.897 193 H ALA 28 H ALA 28 -9.705 -0.802 23.068 194 HA ALA 28 HA ALA 28 -10.005 0.704 20.609 195 1HB ALA 28 1HB ALA 28 -11.670 -0.073 22.984 196 2HB ALA 28 2HB ALA 28 -11.897 -0.486 21.284 197 3HB ALA 28 3HB ALA 28 -12.298 1.133 21.860 198 H ASP 29 H ASP 29 -8.970 1.546 23.767 199 HA ASP 29 HA ASP 29 -9.709 4.417 23.370 200 1HB ASP 29 1HB ASP 29 -10.240 2.964 25.466 201 2HB ASP 29 2HB ASP 29 -8.530 3.160 25.846 202 H ALA 30 H ALA 30 -7.231 2.466 22.543 203 HA ALA 30 HA ALA 30 -5.083 4.389 23.345 204 1HB ALA 30 1HB ALA 30 -5.283 1.472 22.710 205 2HB ALA 30 2HB ALA 30 -4.397 2.275 24.006 206 3HB ALA 30 3HB ALA 30 -3.757 2.284 22.362 207 H GLY 31 H GLY 31 -7.113 3.700 20.769 208 1HA GLY 31 1HA GLY 31 -5.798 5.440 18.945 209 2HA GLY 31 2HA GLY 31 -7.066 4.298 18.500 210 H LEU 32 H LEU 32 -5.595 1.942 19.393 211 HA LEU 32 HA LEU 32 -3.004 1.752 18.181 212 1HB LEU 32 1HB LEU 32 -5.188 -0.208 18.918 213 2HB LEU 32 2HB LEU 32 -3.634 -0.740 18.276 214 HG LEU 32 HG LEU 32 -3.584 1.214 20.530 215 1HD1 LEU 32 1HD1 LEU 32 -5.332 -0.513 21.125 216 2HD1 LEU 32 2HD1 LEU 32 -4.078 -1.743 20.972 217 3HD1 LEU 32 3HD1 LEU 32 -3.939 -0.490 22.205 218 1HD2 LEU 32 1HD2 LEU 32 -1.981 -1.245 19.766 219 2HD2 LEU 32 2HD2 LEU 32 -1.503 0.434 19.516 220 3HD2 LEU 32 3HD2 LEU 32 -1.632 -0.213 21.153 221 H ASP 33 H ASP 33 -2.557 0.339 16.221 222 HA ASP 33 HA ASP 33 -4.017 1.304 13.914 223 1HB ASP 33 1HB ASP 33 -1.755 -0.568 14.521 224 2HB ASP 33 2HB ASP 33 -2.468 -0.613 12.909 225 H GLY 34 H GLY 34 -4.993 -0.228 12.284 226 1HA GLY 34 1HA GLY 34 -6.841 -1.661 11.896 227 2HA GLY 34 2HA GLY 34 -6.870 -2.037 13.618 228 H GLU 35 H GLU 35 -3.837 -2.299 11.963 229 HA GLU 35 HA GLU 35 -4.102 -5.104 11.206 230 1HB GLU 35 1HB GLU 35 -2.188 -2.895 11.061 231 2HB GLU 35 2HB GLU 35 -1.400 -4.441 11.377 232 1HG GLU 35 1HG GLU 35 -1.618 -4.937 9.192 233 2HG GLU 35 2HG GLU 35 -3.368 -4.955 9.414 234 H ASP 36 H ASP 36 -3.921 -3.661 14.192 235 HA ASP 36 HA ASP 36 -2.436 -5.989 15.378 236 1HB ASP 36 1HB ASP 36 -2.526 -3.037 15.964 237 2HB ASP 36 2HB ASP 36 -2.119 -4.166 17.254 238 H TYR 37 H TYR 37 -4.968 -3.544 16.047 239 HA TYR 37 HA TYR 37 -6.407 -5.628 17.657 240 1HB TYR 37 1HB TYR 37 -5.496 -4.088 19.216 241 2HB TYR 37 2HB TYR 37 -5.815 -2.709 18.163 242 HD1 TYR 37 HD1 TYR 37 -7.544 -5.401 20.108 243 HD2 TYR 37 HD2 TYR 37 -7.804 -1.475 18.386 244 HE1 TYR 37 HE1 TYR 37 -9.745 -5.066 21.202 245 HE2 TYR 37 HE2 TYR 37 -10.003 -1.139 19.479 246 HH TYR 37 HH TYR 37 -11.744 -3.707 20.931 247 H GLY 38 H GLY 38 -8.589 -5.827 17.157 248 1HA GLY 38 1HA GLY 38 -9.593 -4.415 14.811 249 2HA GLY 38 2HA GLY 38 -10.396 -3.918 16.300 250 H THR 39 H THR 39 -12.178 -4.971 14.778 251 HA THR 39 HA THR 39 -12.660 -7.683 15.882 252 HB THR 39 HB THR 39 -14.733 -6.545 14.187 253 HG1 THR 39 HG1 THR 39 -13.833 -4.969 16.364 254 1HG2 THR 39 1HG2 THR 39 -14.532 -7.071 17.165 255 2HG2 THR 39 2HG2 THR 39 -16.025 -6.740 16.288 256 3HG2 THR 39 3HG2 THR 39 -15.111 -8.210 15.951 257 H MET 40 H MET 40 -12.628 -9.504 14.608 258 HA MET 40 HA MET 40 -11.967 -9.152 11.720 259 1HB MET 40 1HB MET 40 -10.710 -10.526 13.675 260 2HB MET 40 2HB MET 40 -11.809 -11.782 13.107 261 1HG MET 40 1HG MET 40 -10.232 -10.174 11.115 262 2HG MET 40 2HG MET 40 -9.460 -11.514 11.963 263 1HE MET 40 1HE MET 40 -9.156 -13.263 11.263 264 2HE MET 40 2HE MET 40 -10.402 -14.481 10.996 265 3HE MET 40 3HE MET 40 -9.548 -13.766 9.621 266 H GLU 41 H GLU 41 -13.155 -10.389 10.139 267 HA GLU 41 HA GLU 41 -15.648 -11.718 11.135 268 1HB GLU 41 1HB GLU 41 -16.725 -10.552 9.101 269 2HB GLU 41 2HB GLU 41 -16.332 -9.532 10.485 270 1HG GLU 41 1HG GLU 41 -14.233 -8.848 9.410 271 2HG GLU 41 2HG GLU 41 -14.573 -9.907 8.041 272 H VAL 42 H VAL 42 -15.421 -13.814 10.450 273 HA VAL 42 HA VAL 42 -14.935 -14.328 7.577 274 HB VAL 42 HB VAL 42 -12.689 -14.248 8.471 275 1HG1 VAL 42 1HG1 VAL 42 -13.943 -15.076 10.848 276 2HG1 VAL 42 2HG1 VAL 42 -12.858 -16.396 10.411 277 3HG1 VAL 42 3HG1 VAL 42 -12.223 -14.764 10.614 278 1HG2 VAL 42 1HG2 VAL 42 -13.737 -17.074 8.163 279 2HG2 VAL 42 2HG2 VAL 42 -12.991 -16.065 6.922 280 3HG2 VAL 42 3HG2 VAL 42 -12.019 -16.685 8.257 281 H ALA 43 H ALA 43 -16.102 -16.124 6.932 282 HA ALA 43 HA ALA 43 -17.872 -17.431 8.839 283 1HB ALA 43 1HB ALA 43 -17.579 -18.671 6.209 284 2HB ALA 43 2HB ALA 43 -17.739 -16.918 6.099 285 3HB ALA 43 3HB ALA 43 -18.983 -17.868 6.912 286 H GLU 44 H GLU 44 -17.930 -19.797 9.161 287 HA GLU 44 HA GLU 44 -15.429 -20.939 9.925 288 1HB GLU 44 1HB GLU 44 -18.273 -21.686 9.701 289 2HB GLU 44 2HB GLU 44 -17.165 -23.053 9.577 290 1HG GLU 44 1HG GLU 44 -16.017 -21.854 11.661 291 2HG GLU 44 2HG GLU 44 -17.639 -21.195 11.874 292 H GLY 45 H GLY 45 -13.850 -21.701 8.581 293 1HA GLY 45 1HA GLY 45 -14.681 -22.778 5.915 294 2HA GLY 45 2HA GLY 45 -13.419 -23.543 6.882 295 H GLU 46 H GLU 46 -13.408 -20.157 7.168 296 HA GLU 46 HA GLU 46 -11.405 -19.849 4.966 297 1HB GLU 46 1HB GLU 46 -13.437 -18.162 6.330 298 2HB GLU 46 2HB GLU 46 -11.948 -17.343 5.857 299 1HG GLU 46 1HG GLU 46 -12.919 -19.109 3.753 300 2HG GLU 46 2HG GLU 46 -14.126 -17.901 4.196 301 H TYR 47 H TYR 47 -9.414 -20.391 5.882 302 HA TYR 47 HA TYR 47 -8.508 -20.272 8.486 303 1HB TYR 47 1HB TYR 47 -7.017 -19.395 5.990 304 2HB TYR 47 2HB TYR 47 -6.277 -19.993 7.476 305 HD1 TYR 47 HD1 TYR 47 -7.880 -22.238 8.281 306 HD2 TYR 47 HD2 TYR 47 -6.781 -21.009 4.315 307 HE1 TYR 47 HE1 TYR 47 -8.157 -24.569 7.482 308 HE2 TYR 47 HE2 TYR 47 -7.059 -23.341 3.515 309 HH TYR 47 HH TYR 47 -8.375 -25.854 5.609 310 H ILE 48 H ILE 48 -8.406 -18.637 9.974 311 HA ILE 48 HA ILE 48 -9.168 -15.984 9.644 312 HB ILE 48 HB ILE 48 -7.051 -17.204 11.447 313 1HG1 ILE 48 1HG1 ILE 48 -9.941 -16.543 12.053 314 2HG1 ILE 48 2HG1 ILE 48 -9.434 -18.126 11.464 315 1HG2 ILE 48 1HG2 ILE 48 -7.699 -14.478 11.066 316 2HG2 ILE 48 2HG2 ILE 48 -8.484 -14.961 12.571 317 3HG2 ILE 48 3HG2 ILE 48 -6.744 -15.174 12.375 318 1HD1 ILE 48 1HD1 ILE 48 -7.763 -18.151 13.401 319 2HD1 ILE 48 2HD1 ILE 48 -8.633 -16.757 14.040 320 3HD1 ILE 48 3HD1 ILE 48 -9.463 -18.301 13.847 321 H LEU 49 H LEU 49 -5.804 -17.222 9.476 322 HA LEU 49 HA LEU 49 -4.396 -14.886 8.929 323 1HB LEU 49 1HB LEU 49 -3.411 -17.119 9.170 324 2HB LEU 49 2HB LEU 49 -4.168 -17.639 7.665 325 HG LEU 49 HG LEU 49 -2.413 -15.213 7.609 326 1HD1 LEU 49 1HD1 LEU 49 -1.509 -18.071 7.940 327 2HD1 LEU 49 2HD1 LEU 49 -0.518 -16.904 7.063 328 3HD1 LEU 49 3HD1 LEU 49 -0.914 -16.627 8.759 329 1HD2 LEU 49 1HD2 LEU 49 -3.301 -17.403 5.750 330 2HD2 LEU 49 2HD2 LEU 49 -3.376 -15.655 5.523 331 3HD2 LEU 49 3HD2 LEU 49 -1.831 -16.496 5.391 332 H GLU 50 H GLU 50 -6.353 -16.815 6.661 333 HA GLU 50 HA GLU 50 -5.732 -15.105 4.368 334 1HB GLU 50 1HB GLU 50 -6.490 -17.658 4.665 335 2HB GLU 50 2HB GLU 50 -8.089 -16.939 4.475 336 1HG GLU 50 1HG GLU 50 -5.808 -16.378 2.566 337 2HG GLU 50 2HG GLU 50 -6.960 -17.691 2.315 338 H ALA 51 H ALA 51 -8.715 -15.741 6.266 339 HA ALA 51 HA ALA 51 -10.393 -13.829 5.068 340 1HB ALA 51 1HB ALA 51 -10.523 -15.648 7.098 341 2HB ALA 51 2HB ALA 51 -10.578 -14.137 8.005 342 3HB ALA 51 3HB ALA 51 -11.788 -14.466 6.764 343 H ALA 52 H ALA 52 -8.084 -13.398 7.729 344 HA ALA 52 HA ALA 52 -8.752 -10.572 8.083 345 1HB ALA 52 1HB ALA 52 -6.400 -10.975 9.391 346 2HB ALA 52 2HB ALA 52 -6.965 -12.639 9.241 347 3HB ALA 52 3HB ALA 52 -7.967 -11.437 10.055 348 H GLU 53 H GLU 53 -6.284 -12.431 6.378 349 HA GLU 53 HA GLU 53 -4.465 -10.304 5.807 350 1HB GLU 53 1HB GLU 53 -3.857 -12.611 5.497 351 2HB GLU 53 2HB GLU 53 -5.210 -12.878 4.397 352 1HG GLU 53 1HG GLU 53 -4.203 -11.645 2.666 353 2HG GLU 53 2HG GLU 53 -3.116 -10.805 3.772 354 H ALA 54 H ALA 54 -7.402 -11.407 4.176 355 HA ALA 54 HA ALA 54 -7.160 -9.806 1.808 356 1HB ALA 54 1HB ALA 54 -8.753 -11.508 1.711 357 2HB ALA 54 2HB ALA 54 -9.332 -11.193 3.346 358 3HB ALA 54 3HB ALA 54 -9.788 -10.116 2.026 359 H GLN 55 H GLN 55 -7.845 -8.992 5.081 360 HA GLN 55 HA GLN 55 -9.205 -6.447 4.367 361 1HB GLN 55 1HB GLN 55 -8.710 -8.112 6.815 362 2HB GLN 55 2HB GLN 55 -9.091 -6.402 7.018 363 1HG GLN 55 1HG GLN 55 -11.072 -8.050 7.012 364 2HG GLN 55 2HG GLN 55 -11.206 -6.636 5.967 365 2HE2 GLN 55 2HE2 GLN 55 -12.034 -7.215 3.959 366 1HE2 GLN 55 1HE2 GLN 55 -11.700 -8.666 3.142 367 H GLY 56 H GLY 56 -6.073 -7.675 5.171 368 1HA GLY 56 1HA GLY 56 -5.098 -4.892 5.670 369 2HA GLY 56 2HA GLY 56 -4.236 -6.002 4.604 370 H TYR 57 H TYR 57 -5.655 -7.607 7.234 371 HA TYR 57 HA TYR 57 -3.707 -7.169 9.297 372 1HB TYR 57 1HB TYR 57 -5.501 -9.526 8.632 373 2HB TYR 57 2HB TYR 57 -4.694 -9.291 10.180 374 HD1 TYR 57 HD1 TYR 57 -5.328 -6.063 9.184 375 HD2 TYR 57 HD2 TYR 57 -7.455 -9.561 10.489 376 HE1 TYR 57 HE1 TYR 57 -7.207 -4.638 9.946 377 HE2 TYR 57 HE2 TYR 57 -9.333 -8.133 11.250 378 HH TYR 57 HH TYR 57 -9.075 -4.650 11.337 379 H ASP 58 H ASP 58 -1.819 -8.378 9.801 380 HA ASP 58 HA ASP 58 -0.817 -10.155 7.598 381 1HB ASP 58 1HB ASP 58 0.153 -7.748 8.380 382 2HB ASP 58 2HB ASP 58 1.051 -8.800 9.476 383 H TRP 59 H TRP 59 -0.097 -12.187 8.213 384 HA TRP 59 HA TRP 59 0.162 -12.751 11.148 385 1HB TRP 59 1HB TRP 59 -1.139 -14.529 9.061 386 2HB TRP 59 2HB TRP 59 -1.135 -14.772 10.808 387 HD1 TRP 59 HD1 TRP 59 -2.279 -12.031 8.320 388 HE1 TRP 59 HE1 TRP 59 -4.476 -11.019 9.206 389 HE3 TRP 59 HE3 TRP 59 -2.784 -14.669 12.665 390 HZ2 TRP 59 HZ2 TRP 59 -6.212 -11.284 11.456 391 HZ3 TRP 59 HZ3 TRP 59 -4.723 -14.268 14.158 392 HH2 TRP 59 HH2 TRP 59 -6.436 -12.579 13.556 393 HA PRO 60 HA PRO 60 3.941 -14.587 9.814 394 1HB PRO 60 1HB PRO 60 4.479 -16.049 12.065 395 2HB PRO 60 2HB PRO 60 4.691 -14.290 11.982 396 1HG PRO 60 1HG PRO 60 2.478 -15.887 13.175 397 2HG PRO 60 2HG PRO 60 3.225 -14.389 13.750 398 1HD PRO 60 1HD PRO 60 0.816 -14.503 12.446 399 2HD PRO 60 2HD PRO 60 1.876 -13.077 12.449 400 H PHE 61 H PHE 61 4.368 -16.448 8.648 401 HA PHE 61 HA PHE 61 3.165 -19.027 9.399 402 1HB PHE 61 1HB PHE 61 2.020 -19.173 7.138 403 2HB PHE 61 2HB PHE 61 1.312 -17.995 8.241 404 HD1 PHE 61 HD1 PHE 61 3.921 -18.261 5.560 405 HD2 PHE 61 HD2 PHE 61 0.996 -15.799 7.516 406 HE1 PHE 61 HE1 PHE 61 4.323 -16.464 3.898 407 HE2 PHE 61 HE2 PHE 61 1.398 -14.002 5.855 408 HZ PHE 61 HZ PHE 61 3.060 -14.334 4.045 409 H SER 62 H SER 62 4.135 -20.781 8.197 410 HA SER 62 HA SER 62 6.330 -20.047 6.316 411 1HB SER 62 1HB SER 62 6.483 -21.122 9.067 412 2HB SER 62 2HB SER 62 7.487 -21.969 7.890 413 HG SER 62 HG SER 62 7.958 -19.586 7.275 414 H CYS 63 H CYS 63 4.988 -22.905 8.021 415 HA CYS 63 HA CYS 63 5.435 -24.614 5.706 416 1HB CYS 63 1HB CYS 63 4.980 -26.297 7.232 417 2HB CYS 63 2HB CYS 63 5.434 -24.999 8.330 418 H ARG 64 H ARG 64 2.696 -22.811 6.990 419 HA ARG 64 HA ARG 64 0.485 -22.548 6.183 420 1HB ARG 64 1HB ARG 64 1.930 -23.192 3.598 421 2HB ARG 64 2HB ARG 64 0.469 -22.219 3.776 422 1HG ARG 64 1HG ARG 64 2.111 -20.923 5.503 423 2HG ARG 64 2HG ARG 64 3.296 -21.510 4.335 424 1HD ARG 64 1HD ARG 64 1.074 -20.517 2.846 425 2HD ARG 64 2HD ARG 64 1.499 -19.291 4.056 426 HE ARG 64 HE ARG 64 3.960 -19.950 3.183 427 1HH1 ARG 64 1HH1 ARG 64 2.990 -21.258 0.734 428 2HH1 ARG 64 2HH1 ARG 64 2.901 -19.953 -0.402 429 1HH2 ARG 64 1HH2 ARG 64 3.006 -17.481 2.030 430 2HH2 ARG 64 2HH2 ARG 64 2.911 -17.814 0.332 431 H ALA 65 H ALA 65 1.243 -25.356 6.929 432 HA ALA 65 HA ALA 65 -0.851 -26.753 5.339 433 1HB ALA 65 1HB ALA 65 0.941 -28.736 5.774 434 2HB ALA 65 2HB ALA 65 2.037 -27.356 5.688 435 3HB ALA 65 3HB ALA 65 0.970 -27.722 4.333 436 H GLY 66 H GLY 66 0.122 -25.771 8.359 437 1HA GLY 66 1HA GLY 66 -1.698 -27.650 9.668 438 2HA GLY 66 2HA GLY 66 -0.856 -26.314 10.447 439 H ALA 67 H ALA 67 1.814 -27.082 9.672 440 HA ALA 67 HA ALA 67 2.124 -29.554 11.334 441 1HB ALA 67 1HB ALA 67 2.416 -29.996 8.925 442 2HB ALA 67 2HB ALA 67 3.947 -30.185 9.781 443 3HB ALA 67 3HB ALA 67 3.638 -28.728 8.837 444 H CYS 68 H CYS 68 2.542 -26.407 11.634 445 HA CYS 68 HA CYS 68 5.009 -26.715 13.234 446 1HB CYS 68 1HB CYS 68 6.333 -25.308 11.956 447 2HB CYS 68 2HB CYS 68 5.344 -26.017 10.685 448 H ALA 69 H ALA 69 5.464 -24.387 14.300 449 HA ALA 69 HA ALA 69 2.792 -23.331 15.172 450 1HB ALA 69 1HB ALA 69 4.771 -24.623 16.595 451 2HB ALA 69 2HB ALA 69 3.533 -23.585 17.304 452 3HB ALA 69 3HB ALA 69 5.123 -22.925 16.919 453 H ASN 70 H ASN 70 5.154 -22.449 13.161 454 HA ASN 70 HA ASN 70 6.165 -19.942 13.998 455 1HB ASN 70 1HB ASN 70 5.653 -21.427 11.485 456 2HB ASN 70 2HB ASN 70 5.825 -19.681 11.298 457 2HD2 ASN 70 2HD2 ASN 70 7.796 -18.850 12.852 458 1HD2 ASN 70 1HD2 ASN 70 9.225 -19.747 12.673 459 H CYS 71 H CYS 71 2.989 -20.830 12.741 460 HA CYS 71 HA CYS 71 2.171 -17.963 12.633 461 1HB CYS 71 1HB CYS 71 0.366 -18.784 11.283 462 2HB CYS 71 2HB CYS 71 1.792 -19.686 10.771 463 H ALA 72 H ALA 72 2.485 -20.029 15.040 464 HA ALA 72 HA ALA 72 0.085 -20.640 16.282 465 1HB ALA 72 1HB ALA 72 2.508 -20.983 17.014 466 2HB ALA 72 2HB ALA 72 1.366 -20.602 18.304 467 3HB ALA 72 3HB ALA 72 2.439 -19.350 17.678 468 H SER 73 H SER 73 -1.287 -19.540 17.772 469 HA SER 73 HA SER 73 -1.164 -16.543 17.745 470 1HB SER 73 1HB SER 73 -2.947 -18.191 16.369 471 2HB SER 73 2HB SER 73 -3.840 -17.712 17.812 472 HG SER 73 HG SER 73 -2.990 -15.515 17.243 473 H ILE 74 H ILE 74 -3.442 -16.188 19.356 474 HA ILE 74 HA ILE 74 -2.995 -17.822 21.796 475 HB ILE 74 HB ILE 74 -2.466 -14.877 21.427 476 1HG1 ILE 74 1HG1 ILE 74 -0.568 -16.378 21.144 477 2HG1 ILE 74 2HG1 ILE 74 -0.387 -15.504 22.665 478 1HG2 ILE 74 1HG2 ILE 74 -3.397 -16.346 23.859 479 2HG2 ILE 74 2HG2 ILE 74 -2.145 -15.121 24.065 480 3HG2 ILE 74 3HG2 ILE 74 -3.706 -14.679 23.371 481 1HD1 ILE 74 1HD1 ILE 74 -1.555 -17.510 23.767 482 2HD1 ILE 74 2HD1 ILE 74 -1.270 -18.366 22.252 483 3HD1 ILE 74 3HD1 ILE 74 0.095 -17.772 23.200 484 H VAL 75 H VAL 75 -5.257 -18.365 20.834 485 HA VAL 75 HA VAL 75 -7.471 -16.684 20.693 486 HB VAL 75 HB VAL 75 -7.401 -19.128 20.262 487 1HG1 VAL 75 1HG1 VAL 75 -6.170 -19.327 22.665 488 2HG1 VAL 75 2HG1 VAL 75 -7.816 -19.748 23.137 489 3HG1 VAL 75 3HG1 VAL 75 -6.989 -20.684 21.892 490 1HG2 VAL 75 1HG2 VAL 75 -9.520 -17.669 21.160 491 2HG2 VAL 75 2HG2 VAL 75 -9.642 -19.349 20.636 492 3HG2 VAL 75 3HG2 VAL 75 -9.494 -18.969 22.352 493 H LYS 76 H LYS 76 -8.252 -15.196 22.154 494 HA LYS 76 HA LYS 76 -7.501 -15.414 25.006 495 1HB LYS 76 1HB LYS 76 -7.451 -13.321 23.532 496 2HB LYS 76 2HB LYS 76 -9.213 -13.336 23.623 497 1HG LYS 76 1HG LYS 76 -9.072 -12.266 25.599 498 2HG LYS 76 2HG LYS 76 -8.280 -13.692 26.271 499 1HD LYS 76 1HD LYS 76 -6.943 -11.324 24.932 500 2HD LYS 76 2HD LYS 76 -6.818 -11.796 26.626 501 1HE LYS 76 1HE LYS 76 -6.104 -13.996 24.832 502 2HE LYS 76 2HE LYS 76 -5.068 -12.574 24.601 503 1HZ LYS 76 1HZ LYS 76 -4.930 -12.451 27.082 504 2HZ LYS 76 2HZ LYS 76 -5.690 -13.968 27.153 505 3HZ LYS 76 3HZ LYS 76 -4.170 -13.813 26.410 506 H GLU 77 H GLU 77 -10.119 -16.358 23.017 507 HA GLU 77 HA GLU 77 -11.638 -17.519 25.122 508 1HB GLU 77 1HB GLU 77 -11.761 -14.719 25.088 509 2HB GLU 77 2HB GLU 77 -13.273 -15.235 24.342 510 1HG GLU 77 1HG GLU 77 -14.092 -15.933 26.324 511 2HG GLU 77 2HG GLU 77 -12.641 -16.879 26.652 512 H GLY 78 H GLY 78 -13.672 -18.427 24.323 513 1HA GLY 78 1HA GLY 78 -14.223 -18.020 21.431 514 2HA GLY 78 2HA GLY 78 -15.311 -18.799 22.579 515 H GLU 79 H GLU 79 -14.358 -19.859 20.004 516 HA GLU 79 HA GLU 79 -12.460 -22.010 20.719 517 1HB GLU 79 1HB GLU 79 -14.654 -22.734 21.606 518 2HB GLU 79 2HB GLU 79 -15.371 -22.510 20.010 519 1HG GLU 79 1HG GLU 79 -14.827 -24.675 19.629 520 2HG GLU 79 2HG GLU 79 -13.162 -24.108 19.492 521 H ILE 80 H ILE 80 -11.308 -22.538 18.893 522 HA ILE 80 HA ILE 80 -12.378 -21.601 16.258 523 HB ILE 80 HB ILE 80 -9.576 -22.216 17.251 524 1HG1 ILE 80 1HG1 ILE 80 -10.997 -19.602 16.654 525 2HG1 ILE 80 2HG1 ILE 80 -10.542 -20.193 18.252 526 1HG2 ILE 80 1HG2 ILE 80 -10.179 -22.530 14.730 527 2HG2 ILE 80 2HG2 ILE 80 -10.276 -20.769 14.704 528 3HG2 ILE 80 3HG2 ILE 80 -8.764 -21.562 15.144 529 1HD1 ILE 80 1HD1 ILE 80 -8.180 -20.345 16.763 530 2HD1 ILE 80 2HD1 ILE 80 -8.915 -18.821 16.261 531 3HD1 ILE 80 3HD1 ILE 80 -8.576 -19.118 17.967 532 H ASP 81 H ASP 81 -12.307 -23.053 14.468 533 HA ASP 81 HA ASP 81 -12.346 -25.922 15.206 534 1HB ASP 81 1HB ASP 81 -13.918 -24.357 13.652 535 2HB ASP 81 2HB ASP 81 -12.809 -24.972 12.426 536 H MET 82 H MET 82 -10.331 -26.882 15.171 537 HA MET 82 HA MET 82 -8.159 -25.952 13.472 538 1HB MET 82 1HB MET 82 -8.622 -27.693 15.699 539 2HB MET 82 2HB MET 82 -7.756 -28.605 14.463 540 1HG MET 82 1HG MET 82 -6.240 -26.489 14.303 541 2HG MET 82 2HG MET 82 -6.921 -26.079 15.877 542 1HE MET 82 1HE MET 82 -6.779 -27.066 17.805 543 2HE MET 82 2HE MET 82 -7.067 -28.801 17.694 544 3HE MET 82 3HE MET 82 -5.555 -28.195 18.383 545 H ASP 83 H ASP 83 -7.082 -27.489 11.890 546 HA ASP 83 HA ASP 83 -9.141 -28.709 10.136 547 1HB ASP 83 1HB ASP 83 -6.891 -27.141 9.763 548 2HB ASP 83 2HB ASP 83 -6.322 -28.747 9.309 549 H MET 84 H MET 84 -8.055 -30.747 8.895 550 HA MET 84 HA MET 84 -7.985 -32.914 10.764 551 1HB MET 84 1HB MET 84 -7.955 -32.425 7.932 552 2HB MET 84 2HB MET 84 -6.713 -33.620 8.310 553 1HG MET 84 1HG MET 84 -8.760 -34.830 7.933 554 2HG MET 84 2HG MET 84 -8.462 -34.855 9.671 555 1HE MET 84 1HE MET 84 -10.366 -34.056 6.799 556 2HE MET 84 2HE MET 84 -11.861 -33.265 7.296 557 3HE MET 84 3HE MET 84 -10.405 -32.306 6.997 558 H GLN 85 H GLN 85 -6.235 -31.927 12.225 559 HA GLN 85 HA GLN 85 -3.768 -33.323 11.954 560 1HB GLN 85 1HB GLN 85 -4.068 -30.919 10.376 561 2HB GLN 85 2HB GLN 85 -2.771 -30.705 11.552 562 1HG GLN 85 1HG GLN 85 -2.311 -33.266 10.648 563 2HG GLN 85 2HG GLN 85 -2.888 -32.458 9.191 564 2HE2 GLN 85 2HE2 GLN 85 -0.141 -32.901 11.199 565 1HE2 GLN 85 1HE2 GLN 85 0.829 -31.676 10.536 566 H GLN 86 H GLN 86 -2.273 -32.782 13.701 567 HA GLN 86 HA GLN 86 -3.127 -30.694 15.633 568 1HB GLN 86 1HB GLN 86 -3.806 -33.479 15.789 569 2HB GLN 86 2HB GLN 86 -2.680 -33.107 17.095 570 1HG GLN 86 1HG GLN 86 -4.609 -32.448 18.149 571 2HG GLN 86 2HG GLN 86 -4.290 -30.949 17.277 572 2HE2 GLN 86 2HE2 GLN 86 -6.952 -31.528 17.921 573 1HE2 GLN 86 1HE2 GLN 86 -7.805 -31.956 16.517 574 H ILE 87 H ILE 87 -0.994 -29.823 15.004 575 HA ILE 87 HA ILE 87 1.405 -31.428 15.602 576 HB ILE 87 HB ILE 87 1.343 -29.932 13.678 577 1HG1 ILE 87 1HG1 ILE 87 3.282 -28.405 14.293 578 2HG1 ILE 87 2HG1 ILE 87 3.105 -28.981 15.950 579 1HG2 ILE 87 1HG2 ILE 87 0.001 -28.217 15.563 580 2HG2 ILE 87 2HG2 ILE 87 1.383 -27.363 14.877 581 3HG2 ILE 87 3HG2 ILE 87 0.146 -28.031 13.815 582 1HD1 ILE 87 1HD1 ILE 87 3.177 -31.359 14.771 583 2HD1 ILE 87 2HD1 ILE 87 4.022 -30.460 13.512 584 3HD1 ILE 87 3HD1 ILE 87 4.669 -30.499 15.153 585 H LEU 88 H LEU 88 -0.582 -29.006 17.165 586 HA LEU 88 HA LEU 88 1.470 -28.390 19.203 587 1HB LEU 88 1HB LEU 88 -1.445 -27.576 18.975 588 2HB LEU 88 2HB LEU 88 -0.210 -26.796 19.964 589 HG LEU 88 HG LEU 88 0.850 -26.893 17.352 590 1HD1 LEU 88 1HD1 LEU 88 -1.676 -27.310 16.826 591 2HD1 LEU 88 2HD1 LEU 88 -1.867 -25.603 17.230 592 3HD1 LEU 88 3HD1 LEU 88 -0.809 -26.082 15.902 593 1HD2 LEU 88 1HD2 LEU 88 0.838 -25.132 19.327 594 2HD2 LEU 88 2HD2 LEU 88 1.057 -24.595 17.662 595 3HD2 LEU 88 3HD2 LEU 88 -0.523 -24.453 18.432 596 H SER 89 H SER 89 0.339 -28.347 21.562 597 HA SER 89 HA SER 89 -0.734 -31.112 22.004 598 1HB SER 89 1HB SER 89 0.535 -29.445 24.143 599 2HB SER 89 2HB SER 89 0.619 -31.188 23.891 600 HG SER 89 HG SER 89 2.433 -29.495 23.243 601 H ASP 90 H ASP 90 -2.366 -31.318 23.714 602 HA ASP 90 HA ASP 90 -4.470 -29.425 23.628 603 1HB ASP 90 1HB ASP 90 -3.746 -31.444 25.775 604 2HB ASP 90 2HB ASP 90 -5.348 -30.755 25.515 605 H GLU 91 H GLU 91 -2.043 -29.952 26.193 606 HA GLU 91 HA GLU 91 -2.854 -27.926 27.984 607 1HB GLU 91 1HB GLU 91 -0.623 -28.159 28.862 608 2HB GLU 91 2HB GLU 91 -1.075 -29.738 28.221 609 1HG GLU 91 1HG GLU 91 0.032 -28.369 26.038 610 2HG GLU 91 2HG GLU 91 1.083 -27.972 27.399 611 H GLU 92 H GLU 92 -1.390 -27.675 24.853 612 HA GLU 92 HA GLU 92 -0.328 -24.968 25.209 613 1HB GLU 92 1HB GLU 92 0.066 -27.075 23.491 614 2HB GLU 92 2HB GLU 92 -0.919 -25.996 22.502 615 1HG GLU 92 1HG GLU 92 0.906 -24.738 22.112 616 2HG GLU 92 2HG GLU 92 0.996 -24.375 23.835 617 H VAL 93 H VAL 93 -3.220 -26.445 23.748 618 HA VAL 93 HA VAL 93 -4.309 -23.912 22.797 619 HB VAL 93 HB VAL 93 -4.664 -26.329 21.952 620 1HG1 VAL 93 1HG1 VAL 93 -5.595 -26.649 24.579 621 2HG1 VAL 93 2HG1 VAL 93 -7.048 -26.665 23.578 622 3HG1 VAL 93 3HG1 VAL 93 -5.745 -27.811 23.262 623 1HG2 VAL 93 1HG2 VAL 93 -5.972 -24.290 21.241 624 2HG2 VAL 93 2HG2 VAL 93 -6.877 -25.800 21.136 625 3HG2 VAL 93 3HG2 VAL 93 -7.162 -24.694 22.480 626 H GLU 94 H GLU 94 -4.235 -25.544 25.830 627 HA GLU 94 HA GLU 94 -6.581 -23.975 26.831 628 1HB GLU 94 1HB GLU 94 -5.716 -26.654 27.080 629 2HB GLU 94 2HB GLU 94 -5.460 -25.918 28.662 630 1HG GLU 94 1HG GLU 94 -8.014 -25.152 27.439 631 2HG GLU 94 2HG GLU 94 -7.876 -26.887 27.719 632 H GLU 95 H GLU 95 -3.134 -24.612 27.332 633 HA GLU 95 HA GLU 95 -3.073 -22.727 29.636 634 1HB GLU 95 1HB GLU 95 -1.934 -25.115 29.295 635 2HB GLU 95 2HB GLU 95 -0.678 -24.144 28.529 636 1HG GLU 95 1HG GLU 95 -0.022 -23.213 30.502 637 2HG GLU 95 2HG GLU 95 -1.678 -23.071 31.095 638 H LYS 96 H LYS 96 -1.895 -23.074 26.308 639 HA LYS 96 HA LYS 96 -0.599 -20.385 26.515 640 1HB LYS 96 1HB LYS 96 0.147 -22.881 25.427 641 2HB LYS 96 2HB LYS 96 -0.162 -21.831 24.045 642 1HG LYS 96 1HG LYS 96 2.002 -21.182 24.436 643 2HG LYS 96 2HG LYS 96 1.225 -20.116 25.607 644 1HD LYS 96 1HD LYS 96 1.894 -21.388 27.415 645 2HD LYS 96 2HD LYS 96 1.901 -22.889 26.490 646 1HE LYS 96 1HE LYS 96 4.110 -22.657 26.024 647 2HE LYS 96 2HE LYS 96 3.865 -20.995 25.452 648 1HZ LYS 96 1HZ LYS 96 3.595 -20.395 27.872 649 2HZ LYS 96 2HZ LYS 96 4.201 -21.936 28.248 650 3HZ LYS 96 3HZ LYS 96 5.169 -20.826 27.402 651 H ASP 97 H ASP 97 -3.407 -21.928 25.337 652 HA ASP 97 HA ASP 97 -5.145 -21.163 23.920 653 1HB ASP 97 1HB ASP 97 -3.697 -18.789 24.990 654 2HB ASP 97 2HB ASP 97 -4.805 -18.495 23.647 655 H VAL 98 H VAL 98 -2.445 -21.948 22.754 656 HA VAL 98 HA VAL 98 -2.246 -20.177 20.387 657 HB VAL 98 HB VAL 98 -0.243 -21.575 19.949 658 1HG1 VAL 98 1HG1 VAL 98 -0.738 -20.334 22.632 659 2HG1 VAL 98 2HG1 VAL 98 0.777 -21.198 22.372 660 3HG1 VAL 98 3HG1 VAL 98 0.359 -19.823 21.349 661 1HG2 VAL 98 1HG2 VAL 98 -1.670 -23.479 21.429 662 2HG2 VAL 98 2HG2 VAL 98 -0.015 -23.636 20.840 663 3HG2 VAL 98 3HG2 VAL 98 -0.317 -23.030 22.468 664 H ARG 99 H ARG 99 -2.303 -21.118 18.210 665 HA ARG 99 HA ARG 99 -3.455 -23.794 17.825 666 1HB ARG 99 1HB ARG 99 -5.162 -21.708 18.413 667 2HB ARG 99 2HB ARG 99 -5.167 -21.705 16.649 668 1HG ARG 99 1HG ARG 99 -6.718 -23.353 16.852 669 2HG ARG 99 2HG ARG 99 -5.338 -24.391 17.210 670 1HD ARG 99 1HD ARG 99 -6.398 -24.803 19.190 671 2HD ARG 99 2HD ARG 99 -5.871 -23.176 19.660 672 HE ARG 99 HE ARG 99 -8.083 -22.499 18.350 673 1HH1 ARG 99 1HH1 ARG 99 -9.024 -25.336 18.182 674 2HH1 ARG 99 2HH1 ARG 99 -10.020 -25.475 19.592 675 1HH2 ARG 99 1HH2 ARG 99 -8.727 -22.635 21.107 676 2HH2 ARG 99 2HH2 ARG 99 -9.853 -23.944 21.248 677 H LEU 100 H LEU 100 -4.496 -23.328 15.234 678 HA LEU 100 HA LEU 100 -2.005 -22.541 13.765 679 1HB LEU 100 1HB LEU 100 -4.326 -24.339 12.989 680 2HB LEU 100 2HB LEU 100 -2.847 -24.105 12.057 681 HG LEU 100 HG LEU 100 -2.376 -24.847 14.865 682 1HD1 LEU 100 1HD1 LEU 100 -4.458 -26.202 13.556 683 2HD1 LEU 100 2HD1 LEU 100 -3.054 -27.256 13.395 684 3HD1 LEU 100 3HD1 LEU 100 -3.592 -26.741 14.994 685 1HD2 LEU 100 1HD2 LEU 100 -0.870 -24.760 12.654 686 2HD2 LEU 100 2HD2 LEU 100 -0.548 -25.916 13.947 687 3HD2 LEU 100 3HD2 LEU 100 -1.436 -26.424 12.510 688 H THR 101 H THR 101 -2.240 -20.479 12.964 689 HA THR 101 HA THR 101 -4.879 -19.352 12.356 690 HB THR 101 HB THR 101 -2.175 -18.194 11.675 691 HG1 THR 101 HG1 THR 101 -2.386 -17.364 13.919 692 1HG2 THR 101 1HG2 THR 101 -4.893 -17.265 11.754 693 2HG2 THR 101 2HG2 THR 101 -3.943 -16.376 12.944 694 3HG2 THR 101 3HG2 THR 101 -3.445 -16.392 11.252 695 H CYS 102 H CYS 102 -2.265 -20.872 10.572 696 HA CYS 102 HA CYS 102 -3.080 -19.876 7.952 697 1HB CYS 102 1HB CYS 102 -1.400 -21.545 7.201 698 2HB CYS 102 2HB CYS 102 -0.779 -20.556 8.523 699 H ILE 103 H ILE 103 -3.770 -22.731 9.920 700 HA ILE 103 HA ILE 103 -5.735 -23.600 7.827 701 HB ILE 103 HB ILE 103 -5.086 -25.899 8.345 702 1HG1 ILE 103 1HG1 ILE 103 -2.764 -25.384 9.977 703 2HG1 ILE 103 2HG1 ILE 103 -4.200 -24.731 10.765 704 1HG2 ILE 103 1HG2 ILE 103 -3.328 -23.911 7.259 705 2HG2 ILE 103 2HG2 ILE 103 -2.357 -25.102 8.126 706 3HG2 ILE 103 3HG2 ILE 103 -3.441 -25.619 6.834 707 1HD1 ILE 103 1HD1 ILE 103 -4.825 -27.301 9.628 708 2HD1 ILE 103 2HD1 ILE 103 -3.383 -27.446 10.634 709 3HD1 ILE 103 3HD1 ILE 103 -4.878 -26.806 11.319 710 H GLY 104 H GLY 104 -6.146 -21.932 10.248 711 1HA GLY 104 1HA GLY 104 -7.052 -22.535 12.560 712 2HA GLY 104 2HA GLY 104 -7.980 -23.779 11.722 713 H SER 105 H SER 105 -10.059 -22.998 12.056 714 HA SER 105 HA SER 105 -10.625 -20.203 11.124 715 1HB SER 105 1HB SER 105 -12.732 -21.254 10.146 716 2HB SER 105 2HB SER 105 -11.226 -21.721 9.355 717 HG SER 105 HG SER 105 -11.546 -23.690 9.962 718 HA PRO 106 HA PRO 106 -12.784 -19.947 14.954 719 1HB PRO 106 1HB PRO 106 -14.383 -17.802 14.383 720 2HB PRO 106 2HB PRO 106 -12.646 -17.653 14.713 721 1HG PRO 106 1HG PRO 106 -14.094 -17.649 12.107 722 2HG PRO 106 2HG PRO 106 -12.703 -16.686 12.625 723 1HD PRO 106 1HD PRO 106 -12.517 -18.889 11.012 724 2HD PRO 106 2HD PRO 106 -11.206 -18.327 12.070 725 H ALA 107 H ALA 107 -14.661 -20.888 15.756 726 HA ALA 107 HA ALA 107 -16.766 -21.625 13.757 727 1HB ALA 107 1HB ALA 107 -17.108 -23.565 15.127 728 2HB ALA 107 2HB ALA 107 -16.200 -22.856 16.463 729 3HB ALA 107 3HB ALA 107 -15.360 -23.365 14.999 730 H ALA 108 H ALA 108 -16.252 -20.422 17.058 731 HA ALA 108 HA ALA 108 -19.048 -20.080 17.698 732 1HB ALA 108 1HB ALA 108 -16.375 -19.405 18.776 733 2HB ALA 108 2HB ALA 108 -17.673 -18.324 19.284 734 3HB ALA 108 3HB ALA 108 -17.789 -20.054 19.608 735 H ASP 109 H ASP 109 -20.278 -18.122 17.665 736 HA ASP 109 HA ASP 109 -19.958 -16.399 15.424 737 1HB ASP 109 1HB ASP 109 -21.795 -15.195 16.440 738 2HB ASP 109 2HB ASP 109 -22.023 -16.905 16.805 739 H GLU 110 H GLU 110 -19.075 -15.934 18.855 740 HA GLU 110 HA GLU 110 -17.439 -13.562 18.011 741 1HB GLU 110 1HB GLU 110 -19.487 -13.997 20.056 742 2HB GLU 110 2HB GLU 110 -18.003 -13.326 20.731 743 1HG GLU 110 1HG GLU 110 -18.355 -11.878 18.384 744 2HG GLU 110 2HG GLU 110 -19.996 -12.061 19.002 745 H VAL 111 H VAL 111 -15.312 -14.206 18.083 746 HA VAL 111 HA VAL 111 -14.414 -15.770 20.479 747 HB VAL 111 HB VAL 111 -13.677 -16.117 17.554 748 1HG1 VAL 111 1HG1 VAL 111 -12.052 -16.552 19.769 749 2HG1 VAL 111 2HG1 VAL 111 -12.749 -18.141 19.451 750 3HG1 VAL 111 3HG1 VAL 111 -11.856 -17.300 18.183 751 1HG2 VAL 111 1HG2 VAL 111 -15.864 -17.072 18.221 752 2HG2 VAL 111 2HG2 VAL 111 -14.695 -18.338 17.842 753 3HG2 VAL 111 3HG2 VAL 111 -15.071 -17.959 19.524 754 H LYS 112 H LYS 112 -12.309 -15.205 21.228 755 HA LYS 112 HA LYS 112 -11.125 -12.758 19.954 756 1HB LYS 112 1HB LYS 112 -11.410 -13.682 22.823 757 2HB LYS 112 2HB LYS 112 -10.326 -12.369 22.362 758 1HG LYS 112 1HG LYS 112 -12.081 -10.958 22.418 759 2HG LYS 112 2HG LYS 112 -12.802 -11.854 21.082 760 1HD LYS 112 1HD LYS 112 -14.067 -13.224 22.523 761 2HD LYS 112 2HD LYS 112 -13.050 -12.852 23.916 762 1HE LYS 112 1HE LYS 112 -14.261 -10.989 24.420 763 2HE LYS 112 2HE LYS 112 -14.308 -10.468 22.724 764 1HZ LYS 112 1HZ LYS 112 -15.923 -12.279 22.316 765 2HZ LYS 112 2HZ LYS 112 -15.955 -12.602 23.983 766 3HZ LYS 112 3HZ LYS 112 -16.513 -11.109 23.397 767 H ILE 113 H ILE 113 -8.916 -12.814 19.537 768 HA ILE 113 HA ILE 113 -7.178 -14.869 20.711 769 HB ILE 113 HB ILE 113 -8.406 -16.068 18.930 770 1HG1 ILE 113 1HG1 ILE 113 -5.660 -15.558 17.817 771 2HG1 ILE 113 2HG1 ILE 113 -5.832 -16.303 19.406 772 1HG2 ILE 113 1HG2 ILE 113 -7.556 -13.653 17.386 773 2HG2 ILE 113 2HG2 ILE 113 -7.638 -15.193 16.530 774 3HG2 ILE 113 3HG2 ILE 113 -9.075 -14.547 17.321 775 1HD1 ILE 113 1HD1 ILE 113 -7.589 -17.448 17.331 776 2HD1 ILE 113 2HD1 ILE 113 -5.867 -17.686 17.036 777 3HD1 ILE 113 3HD1 ILE 113 -6.592 -18.263 18.535 778 H VAL 114 H VAL 114 -4.980 -14.341 20.442 779 HA VAL 114 HA VAL 114 -4.461 -11.607 19.418 780 HB VAL 114 HB VAL 114 -3.527 -13.379 21.511 781 1HG1 VAL 114 1HG1 VAL 114 -1.625 -13.779 19.931 782 2HG1 VAL 114 2HG1 VAL 114 -1.326 -12.042 19.906 783 3HG1 VAL 114 3HG1 VAL 114 -1.131 -12.948 21.406 784 1HG2 VAL 114 1HG2 VAL 114 -4.133 -10.708 21.135 785 2HG2 VAL 114 2HG2 VAL 114 -3.446 -11.403 22.601 786 3HG2 VAL 114 3HG2 VAL 114 -2.387 -10.684 21.386 787 H TYR 115 H TYR 115 -3.305 -11.254 17.540 788 HA TYR 115 HA TYR 115 -2.468 -13.638 15.986 789 1HB TYR 115 1HB TYR 115 -2.986 -12.335 14.174 790 2HB TYR 115 2HB TYR 115 -3.863 -11.380 15.364 791 HD1 TYR 115 HD1 TYR 115 -2.687 -9.381 16.435 792 HD2 TYR 115 HD2 TYR 115 -1.144 -11.442 12.998 793 HE1 TYR 115 HE1 TYR 115 -1.248 -7.434 15.913 794 HE2 TYR 115 HE2 TYR 115 0.299 -9.493 12.478 795 HH TYR 115 HH TYR 115 0.969 -7.480 13.118 796 H ASN 116 H ASN 116 -0.311 -13.823 15.141 797 HA ASN 116 HA ASN 116 2.036 -13.474 15.086 798 1HB ASN 116 1HB ASN 116 0.872 -10.948 15.478 799 2HB ASN 116 2HB ASN 116 2.103 -11.074 16.733 800 2HD2 ASN 116 2HD2 ASN 116 3.189 -9.322 15.328 801 1HD2 ASN 116 1HD2 ASN 116 4.149 -9.842 14.029 802 H ALA 117 H ALA 117 1.134 -15.258 16.932 803 HA ALA 117 HA ALA 117 1.908 -14.550 19.660 804 1HB ALA 117 1HB ALA 117 1.377 -16.906 20.074 805 2HB ALA 117 2HB ALA 117 0.149 -16.206 19.021 806 3HB ALA 117 3HB ALA 117 1.407 -17.237 18.342 807 H LYS 118 H LYS 118 3.455 -16.062 16.883 808 HA LYS 118 HA LYS 118 5.605 -17.445 17.947 809 1HB LYS 118 1HB LYS 118 6.847 -16.479 15.930 810 2HB LYS 118 2HB LYS 118 5.288 -17.223 15.576 811 1HG LYS 118 1HG LYS 118 4.242 -15.173 15.214 812 2HG LYS 118 2HG LYS 118 5.395 -14.294 16.219 813 1HD LYS 118 1HD LYS 118 6.209 -15.610 13.622 814 2HD LYS 118 2HD LYS 118 5.602 -13.956 13.683 815 1HE LYS 118 1HE LYS 118 7.401 -13.362 15.288 816 2HE LYS 118 2HE LYS 118 8.021 -15.020 15.191 817 H HIS 119 H HIS 119 5.002 -13.996 18.096 818 HA HIS 119 HA HIS 119 7.598 -13.022 18.718 819 1HB HIS 119 1HB HIS 119 4.755 -12.247 19.316 820 2HB HIS 119 2HB HIS 119 6.070 -11.332 20.054 821 HD1 HIS 119 HD1 HIS 119 8.101 -11.005 17.942 822 HD2 HIS 119 HD2 HIS 119 4.033 -10.894 17.025 823 HE1 HIS 119 HE1 HIS 119 7.896 -9.773 15.738 824 H LEU 120 H LEU 120 5.261 -14.795 20.648 825 HA LEU 120 HA LEU 120 5.976 -14.260 23.281 826 1HB LEU 120 1HB LEU 120 4.781 -16.377 21.728 827 2HB LEU 120 2HB LEU 120 5.782 -17.079 22.999 828 HG LEU 120 HG LEU 120 3.577 -15.030 23.364 829 1HD1 LEU 120 1HD1 LEU 120 3.829 -17.978 23.730 830 2HD1 LEU 120 2HD1 LEU 120 2.926 -17.093 24.959 831 3HD1 LEU 120 3HD1 LEU 120 2.422 -17.019 23.271 832 1HD2 LEU 120 1HD2 LEU 120 5.881 -15.258 24.871 833 2HD2 LEU 120 2HD2 LEU 120 4.350 -14.604 25.454 834 3HD2 LEU 120 3HD2 LEU 120 4.752 -16.298 25.740 835 H ASP 121 H ASP 121 7.721 -14.800 24.619 836 HA ASP 121 HA ASP 121 10.283 -15.334 23.415 837 1HB ASP 121 1HB ASP 121 9.257 -15.443 26.271 838 2HB ASP 121 2HB ASP 121 10.964 -15.474 25.828 839 H TYR 122 H TYR 122 7.717 -17.387 24.494 840 HA TYR 122 HA TYR 122 9.296 -19.737 25.124 841 1HB TYR 122 1HB TYR 122 7.016 -19.330 25.953 842 2HB TYR 122 2HB TYR 122 6.401 -19.342 24.300 843 HD1 TYR 122 HD1 TYR 122 6.669 -21.460 22.910 844 HD2 TYR 122 HD2 TYR 122 7.334 -21.350 27.152 845 HE1 TYR 122 HE1 TYR 122 6.444 -23.927 23.010 846 HE2 TYR 122 HE2 TYR 122 7.109 -23.817 27.251 847 HH TYR 122 HH TYR 122 6.909 -25.763 24.346 848 H LEU 123 H LEU 123 7.806 -18.442 22.192 849 HA LEU 123 HA LEU 123 8.650 -20.856 20.656 850 1HB LEU 123 1HB LEU 123 6.433 -19.106 20.651 851 2HB LEU 123 2HB LEU 123 7.307 -18.775 19.155 852 HG LEU 123 HG LEU 123 6.837 -21.625 19.973 853 1HD1 LEU 123 1HD1 LEU 123 4.714 -19.857 19.790 854 2HD1 LEU 123 2HD1 LEU 123 4.814 -20.519 18.158 855 3HD1 LEU 123 3HD1 LEU 123 4.613 -21.599 19.537 856 1HD2 LEU 123 1HD2 LEU 123 8.242 -20.680 17.962 857 2HD2 LEU 123 2HD2 LEU 123 7.180 -22.065 17.704 858 3HD2 LEU 123 3HD2 LEU 123 6.662 -20.452 17.212 859 H GLN 124 H GLN 124 9.771 -17.748 21.445 860 HA GLN 124 HA GLN 124 10.957 -16.876 18.993 861 1HB GLN 124 1HB GLN 124 11.142 -16.360 21.895 862 2HB GLN 124 2HB GLN 124 12.610 -15.976 20.995 863 1HG GLN 124 1HG GLN 124 9.816 -14.974 20.361 864 2HG GLN 124 2HG GLN 124 11.124 -14.019 21.059 865 2HE2 GLN 124 2HE2 GLN 124 9.999 -13.194 18.604 866 1HE2 GLN 124 1HE2 GLN 124 11.120 -13.450 17.356 867 H ASN 125 H ASN 125 11.926 -19.287 21.358 868 HA ASN 125 HA ASN 125 14.684 -19.549 20.783 869 1HB ASN 125 1HB ASN 125 12.458 -21.202 21.843 870 2HB ASN 125 2HB ASN 125 13.861 -22.104 21.269 871 2HD2 ASN 125 2HD2 ASN 125 13.408 -19.003 23.084 872 1HD2 ASN 125 1HD2 ASN 125 14.532 -19.385 24.297 873 H ARG 126 H ARG 126 11.899 -20.331 18.857 874 HA ARG 126 HA ARG 126 13.332 -22.176 17.063 875 1HB ARG 126 1HB ARG 126 10.658 -21.471 17.751 876 2HB ARG 126 2HB ARG 126 10.852 -21.147 16.028 877 1HG ARG 126 1HG ARG 126 11.842 -23.449 15.780 878 2HG ARG 126 2HG ARG 126 11.424 -23.755 17.466 879 1HD ARG 126 1HD ARG 126 9.072 -22.716 16.317 880 2HD ARG 126 2HD ARG 126 9.710 -23.863 15.124 881 HE ARG 126 HE ARG 126 9.152 -24.531 17.992 882 1HH1 ARG 126 1HH1 ARG 126 11.066 -25.835 15.685 883 2HH1 ARG 126 2HH1 ARG 126 10.187 -27.314 15.482 884 1HH2 ARG 126 1HH2 ARG 126 7.445 -26.248 17.316 885 2HH2 ARG 126 2HH2 ARG 126 8.138 -27.547 16.404 886 H VAL 127 H VAL 127 13.526 -18.921 17.499 887 HA VAL 127 HA VAL 127 13.132 -17.634 15.048 888 HB VAL 127 HB VAL 127 13.926 -16.726 17.288 889 1HG1 VAL 127 1HG1 VAL 127 15.793 -18.415 17.482 890 2HG1 VAL 127 2HG1 VAL 127 16.647 -17.526 16.221 891 3HG1 VAL 127 3HG1 VAL 127 16.295 -16.748 17.764 892 1HG2 VAL 127 1HG2 VAL 127 13.943 -15.471 15.057 893 2HG2 VAL 127 2HG2 VAL 127 15.033 -14.856 16.298 894 3HG2 VAL 127 3HG2 VAL 127 15.666 -15.839 14.978 895 H ILE 128 H ILE 128 14.020 -17.919 13.038 896 HA ILE 128 HA ILE 128 16.548 -19.524 12.832 897 HB ILE 128 HB ILE 128 15.618 -20.273 10.679 898 1HG1 ILE 128 1HG1 ILE 128 12.947 -19.363 10.820 899 2HG1 ILE 128 2HG1 ILE 128 13.958 -17.940 11.073 900 1HG2 ILE 128 1HG2 ILE 128 14.609 -20.876 13.229 901 2HG2 ILE 128 2HG2 ILE 128 13.184 -20.698 12.204 902 3HG2 ILE 128 3HG2 ILE 128 14.442 -21.856 11.772 903 1HD1 ILE 128 1HD1 ILE 128 15.276 -19.235 9.027 904 2HD1 ILE 128 2HD1 ILE 128 13.585 -19.569 8.651 905 3HD1 ILE 128 3HD1 ILE 128 14.140 -17.903 8.810 No H/Q in entry = 905 Start of MODEL 8 1 H2 PRO 1 H2 PRO 1 -18.003 -15.515 11.128 2 H3 PRO 1 H3 PRO 1 -19.509 -16.243 11.442 3 HA PRO 1 HA PRO 1 -19.475 -15.355 13.465 4 1HB PRO 1 1HB PRO 1 -17.339 -16.463 14.770 5 2HB PRO 1 2HB PRO 1 -18.810 -17.373 14.376 6 1HG PRO 1 1HG PRO 1 -16.178 -17.310 12.974 7 2HG PRO 1 2HG PRO 1 -17.243 -18.685 13.307 8 1HD PRO 1 1HD PRO 1 -17.106 -17.466 10.884 9 2HD PRO 1 2HD PRO 1 -18.579 -18.250 11.490 10 H THR 2 H THR 2 -17.985 -14.150 15.158 11 HA THR 2 HA THR 2 -16.172 -12.334 13.612 12 HB THR 2 HB THR 2 -17.972 -12.027 16.020 13 HG1 THR 2 HG1 THR 2 -17.831 -10.231 13.909 14 1HG2 THR 2 1HG2 THR 2 -15.532 -10.510 15.291 15 2HG2 THR 2 2HG2 THR 2 -16.951 -9.540 15.684 16 3HG2 THR 2 3HG2 THR 2 -16.319 -10.694 16.858 17 H VAL 3 H VAL 3 -14.038 -12.213 14.248 18 HA VAL 3 HA VAL 3 -13.282 -13.461 16.872 19 HB VAL 3 HB VAL 3 -11.721 -13.591 14.276 20 1HG1 VAL 3 1HG1 VAL 3 -11.481 -14.775 17.020 21 2HG1 VAL 3 2HG1 VAL 3 -10.893 -15.701 15.640 22 3HG1 VAL 3 3HG1 VAL 3 -10.224 -14.106 15.981 23 1HG2 VAL 3 1HG2 VAL 3 -13.947 -14.697 14.055 24 2HG2 VAL 3 2HG2 VAL 3 -12.614 -15.849 13.993 25 3HG2 VAL 3 3HG2 VAL 3 -13.568 -15.681 15.467 26 H GLU 4 H GLU 4 -12.489 -11.802 18.113 27 HA GLU 4 HA GLU 4 -11.370 -9.371 16.923 28 1HB GLU 4 1HB GLU 4 -12.695 -10.041 19.222 29 2HB GLU 4 2HB GLU 4 -11.035 -9.934 19.808 30 1HG GLU 4 1HG GLU 4 -10.818 -7.676 19.086 31 2HG GLU 4 2HG GLU 4 -12.268 -7.777 18.087 32 H TYR 5 H TYR 5 -9.260 -9.277 16.255 33 HA TYR 5 HA TYR 5 -7.292 -11.196 17.399 34 1HB TYR 5 1HB TYR 5 -5.985 -10.569 15.427 35 2HB TYR 5 2HB TYR 5 -7.638 -10.942 14.937 36 HD1 TYR 5 HD1 TYR 5 -5.345 -8.129 15.801 37 HD2 TYR 5 HD2 TYR 5 -8.985 -9.320 13.860 38 HE1 TYR 5 HE1 TYR 5 -5.562 -5.862 14.819 39 HE2 TYR 5 HE2 TYR 5 -9.204 -7.053 12.879 40 HH TYR 5 HH TYR 5 -7.343 -4.409 13.928 41 H LEU 6 H LEU 6 -5.391 -10.476 18.422 42 HA LEU 6 HA LEU 6 -5.099 -7.535 18.898 43 1HB LEU 6 1HB LEU 6 -6.215 -9.319 20.678 44 2HB LEU 6 2HB LEU 6 -4.526 -9.313 21.182 45 HG LEU 6 HG LEU 6 -6.342 -6.902 20.892 46 1HD1 LEU 6 1HD1 LEU 6 -6.293 -8.564 22.971 47 2HD1 LEU 6 2HD1 LEU 6 -4.839 -7.649 23.372 48 3HD1 LEU 6 3HD1 LEU 6 -6.388 -6.819 23.209 49 1HD2 LEU 6 1HD2 LEU 6 -3.370 -7.181 21.276 50 2HD2 LEU 6 2HD2 LEU 6 -4.250 -6.086 20.209 51 3HD2 LEU 6 3HD2 LEU 6 -4.227 -5.794 21.949 52 H ASN 7 H ASN 7 -2.924 -6.875 19.051 53 HA ASN 7 HA ASN 7 -0.889 -8.714 18.061 54 1HB ASN 7 1HB ASN 7 -1.160 -6.216 17.640 55 2HB ASN 7 2HB ASN 7 -0.545 -5.962 19.272 56 2HD2 ASN 7 2HD2 ASN 7 1.506 -5.056 18.661 57 1HD2 ASN 7 1HD2 ASN 7 2.687 -5.941 17.822 58 H TYR 8 H TYR 8 0.187 -10.138 19.368 59 HA TYR 8 HA TYR 8 0.054 -10.168 22.218 60 1HB TYR 8 1HB TYR 8 0.594 -12.155 20.999 61 2HB TYR 8 2HB TYR 8 1.919 -11.357 20.152 62 HD1 TYR 8 HD1 TYR 8 4.001 -10.731 21.386 63 HD2 TYR 8 HD2 TYR 8 0.876 -13.048 23.207 64 HE1 TYR 8 HE1 TYR 8 5.561 -11.420 23.186 65 HE2 TYR 8 HE2 TYR 8 2.435 -13.737 25.007 66 HH TYR 8 HH TYR 8 4.481 -13.004 26.043 67 H GLU 9 H GLU 9 2.387 -8.728 19.972 68 HA GLU 9 HA GLU 9 4.404 -8.022 21.877 69 1HB GLU 9 1HB GLU 9 3.914 -7.825 19.138 70 2HB GLU 9 2HB GLU 9 4.001 -6.146 19.669 71 1HG GLU 9 1HG GLU 9 6.079 -8.286 20.229 72 2HG GLU 9 2HG GLU 9 6.237 -6.983 19.049 73 H THR 10 H THR 10 1.393 -6.453 20.883 74 HA THR 10 HA THR 10 1.851 -3.894 22.100 75 HB THR 10 HB THR 10 -0.580 -5.534 21.359 76 HG1 THR 10 HG1 THR 10 -0.645 -4.030 19.685 77 1HG2 THR 10 1HG2 THR 10 -0.457 -2.714 22.458 78 2HG2 THR 10 2HG2 THR 10 -1.871 -3.403 21.659 79 3HG2 THR 10 3HG2 THR 10 -1.290 -4.094 23.174 80 H LEU 11 H LEU 11 0.448 -6.926 23.327 81 HA LEU 11 HA LEU 11 -0.434 -5.904 25.863 82 1HB LEU 11 1HB LEU 11 -1.277 -7.978 25.031 83 2HB LEU 11 2HB LEU 11 0.345 -8.619 24.782 84 HG LEU 11 HG LEU 11 0.736 -8.701 27.180 85 1HD1 LEU 11 1HD1 LEU 11 -0.609 -6.630 27.674 86 2HD1 LEU 11 2HD1 LEU 11 -2.070 -7.602 27.502 87 3HD1 LEU 11 3HD1 LEU 11 -0.918 -7.961 28.789 88 1HD2 LEU 11 1HD2 LEU 11 -0.601 -10.534 26.010 89 2HD2 LEU 11 2HD2 LEU 11 -0.799 -10.444 27.760 90 3HD2 LEU 11 3HD2 LEU 11 -2.045 -9.790 26.696 91 H ASP 12 H ASP 12 2.636 -7.346 24.775 92 HA ASP 12 HA ASP 12 3.831 -7.303 27.444 93 1HB ASP 12 1HB ASP 12 4.245 -8.706 25.181 94 2HB ASP 12 2HB ASP 12 5.456 -7.445 24.947 95 H ASP 13 H ASP 13 4.307 -5.426 24.429 96 HA ASP 13 HA ASP 13 6.291 -3.638 25.344 97 1HB ASP 13 1HB ASP 13 5.021 -4.076 23.042 98 2HB ASP 13 2HB ASP 13 4.062 -2.696 23.580 99 H GLN 14 H GLN 14 2.744 -3.068 25.288 100 HA GLN 14 HA GLN 14 2.842 -0.604 26.752 101 1HB GLN 14 1HB GLN 14 0.982 -2.227 25.434 102 2HB GLN 14 2HB GLN 14 0.416 -2.187 27.104 103 1HG GLN 14 1HG GLN 14 -0.572 -0.243 26.361 104 2HG GLN 14 2HG GLN 14 1.000 0.419 26.809 105 2HE2 GLN 14 2HE2 GLN 14 -0.085 1.949 24.931 106 1HE2 GLN 14 1HE2 GLN 14 0.496 1.613 23.372 107 H GLY 15 H GLY 15 2.968 -3.944 27.775 108 1HA GLY 15 1HA GLY 15 3.488 -3.126 30.529 109 2HA GLY 15 2HA GLY 15 3.455 -4.785 29.931 110 H TRP 16 H TRP 16 0.854 -4.760 28.794 111 HA TRP 16 HA TRP 16 -1.026 -3.960 30.937 112 1HB TRP 16 1HB TRP 16 -1.027 -4.445 28.094 113 2HB TRP 16 2HB TRP 16 -2.270 -5.439 28.855 114 HD1 TRP 16 HD1 TRP 16 -3.047 -3.464 31.216 115 HE1 TRP 16 HE1 TRP 16 -4.373 -1.318 30.682 116 HE3 TRP 16 HE3 TRP 16 -1.971 -2.974 26.247 117 HZ2 TRP 16 HZ2 TRP 16 -4.908 0.381 28.441 118 HZ3 TRP 16 HZ3 TRP 16 -2.902 -1.088 24.939 119 HH2 TRP 16 HH2 TRP 16 -4.368 0.589 26.028 120 H ASP 17 H ASP 17 -2.901 -5.907 30.939 121 HA ASP 17 HA ASP 17 -1.471 -8.226 32.150 122 1HB ASP 17 1HB ASP 17 -4.005 -6.753 32.514 123 2HB ASP 17 2HB ASP 17 -4.162 -8.503 32.665 124 H MET 18 H MET 18 -3.015 -10.328 31.857 125 HA MET 18 HA MET 18 -2.921 -10.976 29.018 126 1HB MET 18 1HB MET 18 -3.717 -12.323 31.591 127 2HB MET 18 2HB MET 18 -4.060 -13.105 30.047 128 1HG MET 18 1HG MET 18 -1.563 -12.602 29.502 129 2HG MET 18 2HG MET 18 -1.390 -12.384 31.244 130 1HE MET 18 1HE MET 18 0.204 -13.848 31.509 131 2HE MET 18 2HE MET 18 0.050 -15.589 31.731 132 3HE MET 18 3HE MET 18 0.418 -14.940 30.134 133 H ASP 19 H ASP 19 -5.606 -10.869 31.399 134 HA ASP 19 HA ASP 19 -7.425 -10.018 29.184 135 1HB ASP 19 1HB ASP 19 -7.336 -12.558 29.755 136 2HB ASP 19 2HB ASP 19 -8.205 -12.101 31.221 137 H ASP 20 H ASP 20 -6.175 -9.243 32.102 138 HA ASP 20 HA ASP 20 -8.518 -8.568 33.665 139 1HB ASP 20 1HB ASP 20 -6.149 -8.926 34.462 140 2HB ASP 20 2HB ASP 20 -5.725 -7.383 33.719 141 H ASP 21 H ASP 21 -6.306 -6.610 31.632 142 HA ASP 21 HA ASP 21 -7.983 -4.222 31.872 143 1HB ASP 21 1HB ASP 21 -5.505 -5.059 30.372 144 2HB ASP 21 2HB ASP 21 -6.279 -3.513 30.028 145 H ASP 22 H ASP 22 -8.340 -7.046 30.144 146 HA ASP 22 HA ASP 22 -9.540 -7.616 28.187 147 1HB ASP 22 1HB ASP 22 -10.828 -5.328 29.565 148 2HB ASP 22 2HB ASP 22 -11.373 -5.614 27.912 149 H LEU 23 H LEU 23 -7.147 -6.531 27.467 150 HA LEU 23 HA LEU 23 -6.835 -4.207 26.038 151 1HB LEU 23 1HB LEU 23 -6.106 -7.001 25.102 152 2HB LEU 23 2HB LEU 23 -5.302 -5.509 24.617 153 HG LEU 23 HG LEU 23 -5.308 -5.430 27.418 154 1HD1 LEU 23 1HD1 LEU 23 -5.607 -8.127 26.596 155 2HD1 LEU 23 2HD1 LEU 23 -3.924 -7.936 27.089 156 3HD1 LEU 23 3HD1 LEU 23 -5.224 -7.535 28.212 157 1HD2 LEU 23 1HD2 LEU 23 -3.545 -4.946 25.478 158 2HD2 LEU 23 2HD2 LEU 23 -3.017 -5.246 27.134 159 3HD2 LEU 23 3HD2 LEU 23 -2.956 -6.544 25.940 160 H PHE 24 H PHE 24 -8.672 -7.053 24.961 161 HA PHE 24 HA PHE 24 -9.206 -6.288 22.284 162 1HB PHE 24 1HB PHE 24 -10.598 -7.912 24.403 163 2HB PHE 24 2HB PHE 24 -11.364 -7.678 22.832 164 HD1 PHE 24 HD1 PHE 24 -9.760 -8.074 20.746 165 HD2 PHE 24 HD2 PHE 24 -9.141 -9.709 24.670 166 HE1 PHE 24 HE1 PHE 24 -8.320 -9.847 19.780 167 HE2 PHE 24 HE2 PHE 24 -7.702 -11.484 23.703 168 HZ PHE 24 HZ PHE 24 -7.294 -11.553 21.259 169 H GLU 25 H GLU 25 -10.282 -4.872 25.232 170 HA GLU 25 HA GLU 25 -12.516 -3.456 23.820 171 1HB GLU 25 1HB GLU 25 -12.544 -4.910 26.108 172 2HB GLU 25 2HB GLU 25 -12.173 -3.319 26.770 173 1HG GLU 25 1HG GLU 25 -14.168 -2.745 24.956 174 2HG GLU 25 2HG GLU 25 -14.671 -4.317 25.579 175 H LYS 26 H LYS 26 -9.808 -2.933 26.102 176 HA LYS 26 HA LYS 26 -10.017 -0.056 26.121 177 1HB LYS 26 1HB LYS 26 -7.790 -2.020 26.735 178 2HB LYS 26 2HB LYS 26 -7.695 -0.296 27.094 179 1HG LYS 26 1HG LYS 26 -10.012 -1.970 28.063 180 2HG LYS 26 2HG LYS 26 -8.511 -1.867 28.983 181 1HD LYS 26 1HD LYS 26 -9.130 0.784 28.269 182 2HD LYS 26 2HD LYS 26 -10.661 0.068 28.773 183 1HE LYS 26 1HE LYS 26 -10.015 0.114 30.947 184 2HE LYS 26 2HE LYS 26 -8.509 -0.741 30.560 185 1HZ LYS 26 1HZ LYS 26 -7.602 1.354 29.719 186 2HZ LYS 26 2HZ LYS 26 -9.033 2.162 30.148 187 3HZ LYS 26 3HZ LYS 26 -8.039 1.497 31.355 188 H ALA 27 H ALA 27 -8.566 -2.334 23.904 189 HA ALA 27 HA ALA 27 -6.606 -0.641 22.684 190 1HB ALA 27 1HB ALA 27 -8.297 -2.903 21.570 191 2HB ALA 27 2HB ALA 27 -6.807 -2.299 20.845 192 3HB ALA 27 3HB ALA 27 -6.764 -3.090 22.421 193 H ALA 28 H ALA 28 -10.096 -0.858 22.315 194 HA ALA 28 HA ALA 28 -10.167 0.682 19.824 195 1HB ALA 28 1HB ALA 28 -11.827 -1.047 21.210 196 2HB ALA 28 2HB ALA 28 -12.312 -0.069 19.825 197 3HB ALA 28 3HB ALA 28 -12.599 0.519 21.463 198 H ASP 29 H ASP 29 -9.779 1.458 23.123 199 HA ASP 29 HA ASP 29 -10.766 4.252 22.640 200 1HB ASP 29 1HB ASP 29 -10.440 2.687 25.223 201 2HB ASP 29 2HB ASP 29 -11.137 4.299 25.073 202 H ALA 30 H ALA 30 -7.996 2.582 22.531 203 HA ALA 30 HA ALA 30 -6.391 4.599 24.056 204 1HB ALA 30 1HB ALA 30 -5.748 2.529 24.862 205 2HB ALA 30 2HB ALA 30 -6.142 1.709 23.350 206 3HB ALA 30 3HB ALA 30 -4.649 2.639 23.486 207 H GLY 31 H GLY 31 -6.653 2.903 20.947 208 1HA GLY 31 1HA GLY 31 -5.129 5.142 19.698 209 2HA GLY 31 2HA GLY 31 -6.274 4.106 18.846 210 H LEU 32 H LEU 32 -5.560 1.618 19.167 211 HA LEU 32 HA LEU 32 -2.600 1.369 18.905 212 1HB LEU 32 1HB LEU 32 -4.840 -0.218 19.892 213 2HB LEU 32 2HB LEU 32 -3.831 -1.147 18.785 214 HG LEU 32 HG LEU 32 -2.981 -1.386 21.068 215 1HD1 LEU 32 1HD1 LEU 32 -1.478 -0.180 18.879 216 2HD1 LEU 32 2HD1 LEU 32 -0.765 0.197 20.447 217 3HD1 LEU 32 3HD1 LEU 32 -1.009 -1.483 19.971 218 1HD2 LEU 32 1HD2 LEU 32 -3.094 1.623 20.982 219 2HD2 LEU 32 2HD2 LEU 32 -3.711 0.529 22.219 220 3HD2 LEU 32 3HD2 LEU 32 -1.975 0.799 22.069 221 H ASP 33 H ASP 33 -1.715 0.224 17.055 222 HA ASP 33 HA ASP 33 -2.733 0.925 14.515 223 1HB ASP 33 1HB ASP 33 -0.778 -1.043 15.638 224 2HB ASP 33 2HB ASP 33 -1.201 -1.185 13.933 225 H GLY 34 H GLY 34 -4.228 -0.037 13.151 226 1HA GLY 34 1HA GLY 34 -5.918 -1.502 12.442 227 2HA GLY 34 2HA GLY 34 -6.121 -1.910 14.145 228 H GLU 35 H GLU 35 -3.112 -2.356 12.370 229 HA GLU 35 HA GLU 35 -3.463 -5.111 11.653 230 1HB GLU 35 1HB GLU 35 -1.406 -3.048 11.722 231 2HB GLU 35 2HB GLU 35 -0.740 -4.631 12.122 232 1HG GLU 35 1HG GLU 35 -1.214 -5.508 10.042 233 2HG GLU 35 2HG GLU 35 -2.628 -4.478 9.815 234 H ASP 36 H ASP 36 -3.121 -3.640 14.699 235 HA ASP 36 HA ASP 36 -1.938 -6.088 15.945 236 1HB ASP 36 1HB ASP 36 -2.390 -3.213 16.798 237 2HB ASP 36 2HB ASP 36 -1.845 -4.455 17.925 238 H TYR 37 H TYR 37 -4.605 -3.756 16.539 239 HA TYR 37 HA TYR 37 -6.166 -6.030 17.722 240 1HB TYR 37 1HB TYR 37 -5.579 -4.613 19.513 241 2HB TYR 37 2HB TYR 37 -5.750 -3.156 18.535 242 HD1 TYR 37 HD1 TYR 37 -7.744 -6.025 19.891 243 HD2 TYR 37 HD2 TYR 37 -7.746 -1.924 18.612 244 HE1 TYR 37 HE1 TYR 37 -10.097 -5.790 20.642 245 HE2 TYR 37 HE2 TYR 37 -10.098 -1.691 19.360 246 HH TYR 37 HH TYR 37 -11.569 -3.031 21.241 247 H GLY 38 H GLY 38 -8.340 -6.166 17.090 248 1HA GLY 38 1HA GLY 38 -9.078 -4.814 14.623 249 2HA GLY 38 2HA GLY 38 -10.007 -4.236 16.006 250 H THR 39 H THR 39 -11.740 -5.276 14.494 251 HA THR 39 HA THR 39 -12.360 -7.943 15.610 252 HB THR 39 HB THR 39 -13.948 -6.193 13.710 253 HG1 THR 39 HG1 THR 39 -14.569 -5.041 15.397 254 1HG2 THR 39 1HG2 THR 39 -14.689 -8.344 15.709 255 2HG2 THR 39 2HG2 THR 39 -15.861 -7.329 14.868 256 3HG2 THR 39 3HG2 THR 39 -14.837 -8.435 13.953 257 H MET 40 H MET 40 -11.874 -9.780 14.476 258 HA MET 40 HA MET 40 -11.135 -9.545 11.606 259 1HB MET 40 1HB MET 40 -10.061 -10.850 13.784 260 2HB MET 40 2HB MET 40 -10.944 -12.147 12.976 261 1HG MET 40 1HG MET 40 -9.822 -11.327 10.808 262 2HG MET 40 2HG MET 40 -8.744 -10.404 11.855 263 1HE MET 40 1HE MET 40 -9.123 -12.806 9.803 264 2HE MET 40 2HE MET 40 -7.592 -13.668 10.015 265 3HE MET 40 3HE MET 40 -9.108 -14.420 10.507 266 H GLU 41 H GLU 41 -13.415 -9.305 10.877 267 HA GLU 41 HA GLU 41 -15.488 -11.187 11.406 268 1HB GLU 41 1HB GLU 41 -15.346 -8.858 10.149 269 2HB GLU 41 2HB GLU 41 -15.127 -9.878 8.727 270 1HG GLU 41 1HG GLU 41 -17.265 -10.723 8.834 271 2HG GLU 41 2HG GLU 41 -17.329 -10.618 10.594 272 H VAL 42 H VAL 42 -14.960 -13.375 11.197 273 HA VAL 42 HA VAL 42 -13.783 -14.245 8.576 274 HB VAL 42 HB VAL 42 -13.736 -15.610 11.286 275 1HG1 VAL 42 1HG1 VAL 42 -12.638 -16.210 8.572 276 2HG1 VAL 42 2HG1 VAL 42 -11.649 -16.629 9.969 277 3HG1 VAL 42 3HG1 VAL 42 -13.265 -17.313 9.795 278 1HG2 VAL 42 1HG2 VAL 42 -12.392 -13.284 10.533 279 2HG2 VAL 42 2HG2 VAL 42 -11.942 -14.360 11.856 280 3HG2 VAL 42 3HG2 VAL 42 -11.210 -14.565 10.265 281 H ALA 43 H ALA 43 -15.097 -15.521 7.329 282 HA ALA 43 HA ALA 43 -17.782 -16.210 8.210 283 1HB ALA 43 1HB ALA 43 -17.505 -17.500 5.888 284 2HB ALA 43 2HB ALA 43 -17.645 -15.743 5.941 285 3HB ALA 43 3HB ALA 43 -16.059 -16.497 5.779 286 H GLU 44 H GLU 44 -18.588 -18.324 8.634 287 HA GLU 44 HA GLU 44 -16.872 -20.156 9.990 288 1HB GLU 44 1HB GLU 44 -19.633 -19.783 9.355 289 2HB GLU 44 2HB GLU 44 -19.212 -21.449 8.957 290 1HG GLU 44 1HG GLU 44 -17.960 -21.280 11.322 291 2HG GLU 44 2HG GLU 44 -19.211 -20.070 11.603 292 H GLY 45 H GLY 45 -15.323 -21.416 9.043 293 1HA GLY 45 1HA GLY 45 -16.002 -22.777 6.483 294 2HA GLY 45 2HA GLY 45 -14.778 -23.324 7.628 295 H GLU 46 H GLU 46 -14.457 -20.034 7.441 296 HA GLU 46 HA GLU 46 -12.689 -20.090 5.034 297 1HB GLU 46 1HB GLU 46 -14.264 -18.093 6.577 298 2HB GLU 46 2HB GLU 46 -12.759 -17.510 5.865 299 1HG GLU 46 1HG GLU 46 -14.339 -19.196 4.049 300 2HG GLU 46 2HG GLU 46 -15.164 -17.712 4.529 301 H TYR 47 H TYR 47 -10.477 -19.982 5.276 302 HA TYR 47 HA TYR 47 -9.176 -20.456 7.751 303 1HB TYR 47 1HB TYR 47 -8.438 -19.545 5.000 304 2HB TYR 47 2HB TYR 47 -7.215 -19.410 6.262 305 HD1 TYR 47 HD1 TYR 47 -9.793 -21.998 6.514 306 HD2 TYR 47 HD2 TYR 47 -5.814 -21.127 5.147 307 HE1 TYR 47 HE1 TYR 47 -9.327 -24.426 6.323 308 HE2 TYR 47 HE2 TYR 47 -5.348 -23.555 4.957 309 HH TYR 47 HH TYR 47 -7.886 -25.955 5.411 310 H ILE 48 H ILE 48 -8.874 -19.086 9.450 311 HA ILE 48 HA ILE 48 -9.708 -16.476 9.760 312 HB ILE 48 HB ILE 48 -7.236 -17.864 10.836 313 1HG1 ILE 48 1HG1 ILE 48 -9.929 -17.452 12.149 314 2HG1 ILE 48 2HG1 ILE 48 -9.558 -18.880 11.184 315 1HG2 ILE 48 1HG2 ILE 48 -7.260 -15.327 11.069 316 2HG2 ILE 48 2HG2 ILE 48 -8.709 -15.518 12.057 317 3HG2 ILE 48 3HG2 ILE 48 -7.182 -16.225 12.585 318 1HD1 ILE 48 1HD1 ILE 48 -7.767 -17.997 13.449 319 2HD1 ILE 48 2HD1 ILE 48 -9.159 -19.043 13.730 320 3HD1 ILE 48 3HD1 ILE 48 -7.852 -19.580 12.674 321 H LEU 49 H LEU 49 -6.257 -17.223 9.107 322 HA LEU 49 HA LEU 49 -5.283 -14.696 8.575 323 1HB LEU 49 1HB LEU 49 -3.793 -16.520 8.523 324 2HB LEU 49 2HB LEU 49 -4.775 -17.408 7.362 325 HG LEU 49 HG LEU 49 -2.584 -16.276 6.524 326 1HD1 LEU 49 1HD1 LEU 49 -4.922 -17.007 5.291 327 2HD1 LEU 49 2HD1 LEU 49 -4.763 -15.326 4.784 328 3HD1 LEU 49 3HD1 LEU 49 -3.469 -16.475 4.444 329 1HD2 LEU 49 1HD2 LEU 49 -3.814 -14.035 7.624 330 2HD2 LEU 49 2HD2 LEU 49 -2.440 -14.023 6.519 331 3HD2 LEU 49 3HD2 LEU 49 -4.078 -13.849 5.890 332 H GLU 50 H GLU 50 -6.974 -16.786 6.207 333 HA GLU 50 HA GLU 50 -6.804 -15.005 3.984 334 1HB GLU 50 1HB GLU 50 -7.948 -17.502 4.692 335 2HB GLU 50 2HB GLU 50 -9.259 -16.523 4.033 336 1HG GLU 50 1HG GLU 50 -8.430 -17.293 2.037 337 2HG GLU 50 2HG GLU 50 -7.316 -15.941 2.243 338 H ALA 51 H ALA 51 -9.200 -15.283 6.601 339 HA ALA 51 HA ALA 51 -11.168 -13.502 5.633 340 1HB ALA 51 1HB ALA 51 -10.784 -15.023 7.835 341 2HB ALA 51 2HB ALA 51 -10.454 -13.430 8.516 342 3HB ALA 51 3HB ALA 51 -12.011 -13.759 7.756 343 H ALA 52 H ALA 52 -8.558 -12.723 7.926 344 HA ALA 52 HA ALA 52 -8.929 -9.856 7.657 345 1HB ALA 52 1HB ALA 52 -7.524 -11.737 9.279 346 2HB ALA 52 2HB ALA 52 -6.343 -10.582 8.665 347 3HB ALA 52 3HB ALA 52 -7.745 -10.011 9.570 348 H GLU 53 H GLU 53 -7.293 -12.216 5.767 349 HA GLU 53 HA GLU 53 -5.118 -10.604 4.766 350 1HB GLU 53 1HB GLU 53 -5.201 -13.054 4.641 351 2HB GLU 53 2HB GLU 53 -6.633 -12.971 3.618 352 1HG GLU 53 1HG GLU 53 -5.331 -11.766 1.899 353 2HG GLU 53 2HG GLU 53 -3.899 -11.851 2.923 354 H ALA 54 H ALA 54 -8.454 -11.138 3.726 355 HA ALA 54 HA ALA 54 -8.217 -9.640 1.248 356 1HB ALA 54 1HB ALA 54 -10.044 -11.329 2.566 357 2HB ALA 54 2HB ALA 54 -10.242 -10.609 0.968 358 3HB ALA 54 3HB ALA 54 -10.883 -9.787 2.390 359 H GLN 55 H GLN 55 -8.228 -8.667 4.479 360 HA GLN 55 HA GLN 55 -9.599 -6.079 3.908 361 1HB GLN 55 1HB GLN 55 -8.543 -7.239 6.505 362 2HB GLN 55 2HB GLN 55 -9.666 -5.890 6.329 363 1HG GLN 55 1HG GLN 55 -10.585 -8.272 4.912 364 2HG GLN 55 2HG GLN 55 -10.362 -8.573 6.636 365 2HE2 GLN 55 2HE2 GLN 55 -12.909 -8.159 4.946 366 1HE2 GLN 55 1HE2 GLN 55 -13.754 -6.939 5.769 367 H GLY 56 H GLY 56 -6.452 -7.459 4.750 368 1HA GLY 56 1HA GLY 56 -5.294 -4.703 4.594 369 2HA GLY 56 2HA GLY 56 -4.534 -6.077 3.793 370 H TYR 57 H TYR 57 -5.546 -7.619 6.366 371 HA TYR 57 HA TYR 57 -3.708 -6.570 8.417 372 1HB TYR 57 1HB TYR 57 -5.591 -8.929 8.173 373 2HB TYR 57 2HB TYR 57 -4.601 -8.656 9.606 374 HD1 TYR 57 HD1 TYR 57 -4.625 -5.796 9.997 375 HD2 TYR 57 HD2 TYR 57 -7.799 -8.368 8.669 376 HE1 TYR 57 HE1 TYR 57 -6.297 -4.166 10.836 377 HE2 TYR 57 HE2 TYR 57 -9.470 -6.740 9.507 378 HH TYR 57 HH TYR 57 -8.892 -3.667 10.122 379 H ASP 58 H ASP 58 -1.787 -7.646 9.087 380 HA ASP 58 HA ASP 58 -0.765 -9.717 7.169 381 1HB ASP 58 1HB ASP 58 0.211 -7.277 7.528 382 2HB ASP 58 2HB ASP 58 0.976 -8.024 8.932 383 H TRP 59 H TRP 59 -0.005 -11.642 8.031 384 HA TRP 59 HA TRP 59 0.220 -11.861 11.012 385 1HB TRP 59 1HB TRP 59 -1.079 -13.866 9.143 386 2HB TRP 59 2HB TRP 59 -1.068 -13.917 10.905 387 HD1 TRP 59 HD1 TRP 59 -2.255 -11.519 8.114 388 HE1 TRP 59 HE1 TRP 59 -4.435 -10.403 8.900 389 HE3 TRP 59 HE3 TRP 59 -2.673 -13.563 12.768 390 HZ2 TRP 59 HZ2 TRP 59 -6.142 -10.377 11.189 391 HZ3 TRP 59 HZ3 TRP 59 -4.587 -12.979 14.231 392 HH2 TRP 59 HH2 TRP 59 -6.322 -11.389 13.447 393 HA PRO 60 HA PRO 60 3.939 -14.010 10.054 394 1HB PRO 60 1HB PRO 60 4.138 -15.636 12.249 395 2HB PRO 60 2HB PRO 60 4.452 -13.891 12.309 396 1HG PRO 60 1HG PRO 60 2.031 -15.419 13.139 397 2HG PRO 60 2HG PRO 60 2.790 -14.012 13.898 398 1HD PRO 60 1HD PRO 60 0.545 -13.880 12.336 399 2HD PRO 60 2HD PRO 60 1.684 -12.534 12.546 400 H PHE 61 H PHE 61 4.311 -15.782 8.749 401 HA PHE 61 HA PHE 61 2.926 -18.345 9.210 402 1HB PHE 61 1HB PHE 61 2.342 -16.441 6.938 403 2HB PHE 61 2HB PHE 61 2.077 -18.172 6.754 404 HD1 PHE 61 HD1 PHE 61 1.151 -18.943 9.453 405 HD2 PHE 61 HD2 PHE 61 0.195 -15.502 7.069 406 HE1 PHE 61 HE1 PHE 61 -1.027 -18.735 10.624 407 HE2 PHE 61 HE2 PHE 61 -1.981 -15.295 8.239 408 HZ PHE 61 HZ PHE 61 -2.592 -16.912 10.016 409 H SER 62 H SER 62 4.009 -20.056 8.106 410 HA SER 62 HA SER 62 6.241 -19.311 6.277 411 1HB SER 62 1HB SER 62 6.864 -19.450 8.785 412 2HB SER 62 2HB SER 62 6.623 -21.188 8.611 413 HG SER 62 HG SER 62 8.787 -19.925 8.077 414 H CYS 63 H CYS 63 4.910 -22.178 7.980 415 HA CYS 63 HA CYS 63 5.410 -23.849 5.631 416 1HB CYS 63 1HB CYS 63 5.085 -25.583 7.142 417 2HB CYS 63 2HB CYS 63 5.548 -24.284 8.236 418 H ARG 64 H ARG 64 2.593 -22.292 7.118 419 HA ARG 64 HA ARG 64 0.363 -22.082 6.352 420 1HB ARG 64 1HB ARG 64 1.877 -22.591 3.775 421 2HB ARG 64 2HB ARG 64 0.247 -21.926 3.865 422 1HG ARG 64 1HG ARG 64 1.913 -20.437 5.653 423 2HG ARG 64 2HG ARG 64 2.732 -20.535 4.094 424 1HD ARG 64 1HD ARG 64 -0.142 -20.010 3.815 425 2HD ARG 64 2HD ARG 64 0.709 -18.738 4.714 426 HE ARG 64 HE ARG 64 2.006 -19.725 2.234 427 1HH1 ARG 64 1HH1 ARG 64 2.531 -17.100 3.743 428 2HH1 ARG 64 2HH1 ARG 64 1.811 -15.957 2.659 429 1HH2 ARG 64 1HH2 ARG 64 0.044 -18.353 0.882 430 2HH2 ARG 64 2HH2 ARG 64 0.403 -16.667 1.040 431 H ALA 65 H ALA 65 1.283 -24.849 7.061 432 HA ALA 65 HA ALA 65 -0.808 -26.347 5.561 433 1HB ALA 65 1HB ALA 65 1.118 -28.232 5.941 434 2HB ALA 65 2HB ALA 65 2.118 -26.791 5.760 435 3HB ALA 65 3HB ALA 65 0.998 -27.253 4.479 436 H GLY 66 H GLY 66 0.250 -25.299 8.517 437 1HA GLY 66 1HA GLY 66 -1.412 -27.218 9.950 438 2HA GLY 66 2HA GLY 66 -0.528 -25.874 10.672 439 H ALA 67 H ALA 67 2.072 -26.592 9.658 440 HA ALA 67 HA ALA 67 2.560 -29.122 11.191 441 1HB ALA 67 1HB ALA 67 2.750 -29.130 8.629 442 2HB ALA 67 2HB ALA 67 4.150 -29.731 9.519 443 3HB ALA 67 3HB ALA 67 4.168 -28.103 8.841 444 H CYS 68 H CYS 68 2.985 -25.861 11.402 445 HA CYS 68 HA CYS 68 5.466 -26.219 13.013 446 1HB CYS 68 1HB CYS 68 6.684 -24.668 11.790 447 2HB CYS 68 2HB CYS 68 5.691 -25.350 10.507 448 H ALA 69 H ALA 69 5.869 -23.808 14.071 449 HA ALA 69 HA ALA 69 3.190 -22.935 15.111 450 1HB ALA 69 1HB ALA 69 5.510 -24.093 16.390 451 2HB ALA 69 2HB ALA 69 3.931 -23.730 17.089 452 3HB ALA 69 3HB ALA 69 5.188 -22.493 17.060 453 H ASN 70 H ASN 70 5.554 -21.878 13.168 454 HA ASN 70 HA ASN 70 6.490 -19.429 14.263 455 1HB ASN 70 1HB ASN 70 7.411 -19.242 12.178 456 2HB ASN 70 2HB ASN 70 6.799 -20.878 11.961 457 2HD2 ASN 70 2HD2 ASN 70 6.207 -17.474 11.167 458 1HD2 ASN 70 1HD2 ASN 70 5.052 -17.774 9.962 459 H CYS 71 H CYS 71 3.352 -20.330 13.051 460 HA CYS 71 HA CYS 71 2.463 -17.481 12.978 461 1HB CYS 71 1HB CYS 71 0.635 -18.332 11.684 462 2HB CYS 71 2HB CYS 71 2.060 -19.194 11.111 463 H ALA 72 H ALA 72 2.926 -19.555 15.339 464 HA ALA 72 HA ALA 72 0.649 -20.292 16.690 465 1HB ALA 72 1HB ALA 72 3.283 -19.112 17.497 466 2HB ALA 72 2HB ALA 72 2.079 -19.437 18.744 467 3HB ALA 72 3HB ALA 72 2.676 -20.752 17.731 468 H SER 73 H SER 73 -0.809 -19.301 18.133 469 HA SER 73 HA SER 73 -0.867 -16.311 18.233 470 1HB SER 73 1HB SER 73 -3.263 -18.084 17.688 471 2HB SER 73 2HB SER 73 -3.168 -16.330 17.535 472 HG SER 73 HG SER 73 -1.386 -16.907 15.962 473 H ILE 74 H ILE 74 -3.196 -16.048 19.710 474 HA ILE 74 HA ILE 74 -2.995 -17.909 22.019 475 HB ILE 74 HB ILE 74 -2.333 -14.966 21.968 476 1HG1 ILE 74 1HG1 ILE 74 -0.482 -16.547 21.714 477 2HG1 ILE 74 2HG1 ILE 74 -0.389 -15.775 23.296 478 1HG2 ILE 74 1HG2 ILE 74 -3.823 -16.402 24.002 479 2HG2 ILE 74 2HG2 ILE 74 -2.279 -15.837 24.640 480 3HG2 ILE 74 3HG2 ILE 74 -3.413 -14.689 23.929 481 1HD1 ILE 74 1HD1 ILE 74 -1.860 -17.850 24.036 482 2HD1 ILE 74 2HD1 ILE 74 -1.152 -18.589 22.600 483 3HD1 ILE 74 3HD1 ILE 74 -0.109 -18.002 23.896 484 H VAL 75 H VAL 75 -5.202 -18.359 21.040 485 HA VAL 75 HA VAL 75 -7.327 -16.521 20.835 486 HB VAL 75 HB VAL 75 -7.228 -18.973 20.219 487 1HG1 VAL 75 1HG1 VAL 75 -6.338 -19.570 22.566 488 2HG1 VAL 75 2HG1 VAL 75 -8.019 -19.463 23.093 489 3HG1 VAL 75 3HG1 VAL 75 -7.551 -20.645 21.869 490 1HG2 VAL 75 1HG2 VAL 75 -9.508 -17.700 21.692 491 2HG2 VAL 75 2HG2 VAL 75 -9.379 -18.121 19.984 492 3HG2 VAL 75 3HG2 VAL 75 -9.656 -19.383 21.185 493 H LYS 76 H LYS 76 -7.969 -15.074 22.419 494 HA LYS 76 HA LYS 76 -7.493 -15.650 25.264 495 1HB LYS 76 1HB LYS 76 -7.805 -13.411 23.570 496 2HB LYS 76 2HB LYS 76 -9.158 -13.351 24.699 497 1HG LYS 76 1HG LYS 76 -7.474 -12.224 25.880 498 2HG LYS 76 2HG LYS 76 -7.337 -13.866 26.508 499 1HD LYS 76 1HD LYS 76 -5.714 -13.997 24.304 500 2HD LYS 76 2HD LYS 76 -5.461 -12.330 24.821 501 1HE LYS 76 1HE LYS 76 -3.836 -13.685 25.999 502 2HE LYS 76 2HE LYS 76 -5.089 -13.261 27.181 503 1HZ LYS 76 1HZ LYS 76 -5.622 -15.608 25.551 504 2HZ LYS 76 2HZ LYS 76 -4.346 -15.777 26.659 505 3HZ LYS 76 3HZ LYS 76 -5.898 -15.354 27.208 506 H GLU 77 H GLU 77 -10.052 -16.167 23.019 507 HA GLU 77 HA GLU 77 -11.731 -17.475 24.943 508 1HB GLU 77 1HB GLU 77 -11.822 -14.611 24.873 509 2HB GLU 77 2HB GLU 77 -13.360 -15.226 24.266 510 1HG GLU 77 1HG GLU 77 -13.008 -16.879 26.382 511 2HG GLU 77 2HG GLU 77 -12.166 -15.449 26.978 512 H GLY 78 H GLY 78 -13.590 -18.412 23.919 513 1HA GLY 78 1HA GLY 78 -13.780 -17.912 20.974 514 2HA GLY 78 2HA GLY 78 -15.152 -18.402 21.968 515 H GLU 79 H GLU 79 -13.780 -19.729 19.605 516 HA GLU 79 HA GLU 79 -12.475 -22.117 20.640 517 1HB GLU 79 1HB GLU 79 -14.637 -22.671 21.460 518 2HB GLU 79 2HB GLU 79 -15.431 -22.059 20.009 519 1HG GLU 79 1HG GLU 79 -15.221 -24.050 18.969 520 2HG GLU 79 2HG GLU 79 -13.500 -24.126 19.345 521 H ILE 80 H ILE 80 -11.019 -21.972 18.909 522 HA ILE 80 HA ILE 80 -11.985 -21.608 16.150 523 HB ILE 80 HB ILE 80 -9.269 -22.107 17.407 524 1HG1 ILE 80 1HG1 ILE 80 -10.456 -19.578 16.233 525 2HG1 ILE 80 2HG1 ILE 80 -10.458 -19.952 17.957 526 1HG2 ILE 80 1HG2 ILE 80 -10.112 -21.527 14.562 527 2HG2 ILE 80 2HG2 ILE 80 -8.483 -21.183 15.145 528 3HG2 ILE 80 3HG2 ILE 80 -9.090 -22.840 15.146 529 1HD1 ILE 80 1HD1 ILE 80 -7.813 -20.394 17.057 530 2HD1 ILE 80 2HD1 ILE 80 -8.325 -18.864 16.347 531 3HD1 ILE 80 3HD1 ILE 80 -8.384 -19.087 18.094 532 H ASP 81 H ASP 81 -12.035 -23.239 14.579 533 HA ASP 81 HA ASP 81 -11.956 -26.030 15.572 534 1HB ASP 81 1HB ASP 81 -13.757 -24.833 14.110 535 2HB ASP 81 2HB ASP 81 -12.621 -25.084 12.784 536 H MET 82 H MET 82 -10.570 -27.628 14.638 537 HA MET 82 HA MET 82 -8.431 -26.613 12.802 538 1HB MET 82 1HB MET 82 -6.807 -27.832 14.234 539 2HB MET 82 2HB MET 82 -7.660 -26.583 15.141 540 1HG MET 82 1HG MET 82 -9.052 -28.164 16.226 541 2HG MET 82 2HG MET 82 -8.659 -29.432 15.065 542 1HE MET 82 1HE MET 82 -8.690 -28.414 18.099 543 2HE MET 82 2HE MET 82 -7.616 -29.556 18.919 544 3HE MET 82 3HE MET 82 -7.124 -27.878 18.702 545 H ASP 83 H ASP 83 -7.125 -28.592 11.954 546 HA ASP 83 HA ASP 83 -9.080 -30.716 11.179 547 1HB ASP 83 1HB ASP 83 -6.669 -29.395 9.985 548 2HB ASP 83 2HB ASP 83 -7.062 -31.035 9.469 549 H MET 84 H MET 84 -8.161 -32.952 10.987 550 HA MET 84 HA MET 84 -6.779 -33.753 13.392 551 1HB MET 84 1HB MET 84 -6.984 -35.975 12.385 552 2HB MET 84 2HB MET 84 -8.472 -35.071 12.101 553 1HG MET 84 1HG MET 84 -8.180 -35.135 9.862 554 2HG MET 84 2HG MET 84 -6.504 -34.605 9.999 555 1HE MET 84 1HE MET 84 -8.803 -37.138 11.114 556 2HE MET 84 2HE MET 84 -8.491 -38.560 10.121 557 3HE MET 84 3HE MET 84 -7.690 -38.391 11.681 558 H GLN 85 H GLN 85 -4.947 -32.049 12.673 559 HA GLN 85 HA GLN 85 -2.598 -33.616 12.001 560 1HB GLN 85 1HB GLN 85 -2.188 -32.239 9.867 561 2HB GLN 85 2HB GLN 85 -3.433 -33.484 9.768 562 1HG GLN 85 1HG GLN 85 -5.146 -31.955 9.653 563 2HG GLN 85 2HG GLN 85 -4.308 -30.786 10.675 564 2HE2 GLN 85 2HE2 GLN 85 -5.565 -30.526 7.872 565 1HE2 GLN 85 1HE2 GLN 85 -4.326 -29.850 6.928 566 H GLN 86 H GLN 86 -2.808 -32.183 14.220 567 HA GLN 86 HA GLN 86 -1.608 -29.490 13.703 568 1HB GLN 86 1HB GLN 86 -2.390 -29.010 15.980 569 2HB GLN 86 2HB GLN 86 -3.714 -29.690 15.033 570 1HG GLN 86 1HG GLN 86 -3.470 -31.836 16.054 571 2HG GLN 86 2HG GLN 86 -1.913 -31.401 16.760 572 2HE2 GLN 86 2HE2 GLN 86 -5.375 -31.242 17.207 573 1HE2 GLN 86 1HE2 GLN 86 -5.348 -30.423 18.692 574 H ILE 87 H ILE 87 0.352 -28.929 14.804 575 HA ILE 87 HA ILE 87 2.082 -31.226 15.469 576 HB ILE 87 HB ILE 87 3.831 -29.543 15.370 577 1HG1 ILE 87 1HG1 ILE 87 2.816 -27.111 14.845 578 2HG1 ILE 87 2HG1 ILE 87 1.522 -27.727 15.874 579 1HG2 ILE 87 1HG2 ILE 87 2.286 -30.219 13.266 580 2HG2 ILE 87 2HG2 ILE 87 2.015 -28.477 13.266 581 3HG2 ILE 87 3HG2 ILE 87 3.652 -29.114 13.120 582 1HD1 ILE 87 1HD1 ILE 87 3.746 -28.508 17.274 583 2HD1 ILE 87 2HD1 ILE 87 4.294 -26.985 16.571 584 3HD1 ILE 87 3HD1 ILE 87 2.850 -27.020 17.583 585 H LEU 88 H LEU 88 0.268 -28.738 17.108 586 HA LEU 88 HA LEU 88 1.727 -29.135 19.660 587 1HB LEU 88 1HB LEU 88 0.148 -27.324 20.390 588 2HB LEU 88 2HB LEU 88 1.091 -26.882 18.966 589 HG LEU 88 HG LEU 88 -1.330 -28.258 18.178 590 1HD1 LEU 88 1HD1 LEU 88 -2.045 -27.239 20.417 591 2HD1 LEU 88 2HD1 LEU 88 -1.790 -25.664 19.662 592 3HD1 LEU 88 3HD1 LEU 88 -2.999 -26.770 19.009 593 1HD2 LEU 88 1HD2 LEU 88 0.277 -25.917 17.510 594 2HD2 LEU 88 2HD2 LEU 88 -0.732 -26.916 16.462 595 3HD2 LEU 88 3HD2 LEU 88 -1.451 -25.588 17.374 596 H SER 89 H SER 89 -0.188 -29.043 21.558 597 HA SER 89 HA SER 89 -1.983 -31.375 20.963 598 1HB SER 89 1HB SER 89 -0.038 -30.758 23.137 599 2HB SER 89 2HB SER 89 -1.522 -31.585 23.611 600 HG SER 89 HG SER 89 0.631 -32.560 22.345 601 H ASP 90 H ASP 90 -3.854 -31.456 22.585 602 HA ASP 90 HA ASP 90 -5.438 -29.122 22.488 603 1HB ASP 90 1HB ASP 90 -5.600 -31.782 23.370 604 2HB ASP 90 2HB ASP 90 -5.999 -30.810 24.788 605 H GLU 91 H GLU 91 -3.230 -30.263 25.020 606 HA GLU 91 HA GLU 91 -3.881 -28.470 27.102 607 1HB GLU 91 1HB GLU 91 -1.573 -28.914 27.833 608 2HB GLU 91 2HB GLU 91 -2.295 -30.391 27.195 609 1HG GLU 91 1HG GLU 91 -1.237 -29.810 24.960 610 2HG GLU 91 2HG GLU 91 -0.349 -28.538 25.798 611 H GLU 92 H GLU 92 -2.332 -27.887 24.043 612 HA GLU 92 HA GLU 92 -1.081 -25.353 24.785 613 1HB GLU 92 1HB GLU 92 -0.844 -27.197 22.770 614 2HB GLU 92 2HB GLU 92 -1.755 -25.921 21.962 615 1HG GLU 92 1HG GLU 92 0.142 -24.732 21.744 616 2HG GLU 92 2HG GLU 92 0.274 -24.656 23.501 617 H VAL 93 H VAL 93 -4.092 -26.352 23.167 618 HA VAL 93 HA VAL 93 -4.955 -23.617 22.615 619 HB VAL 93 HB VAL 93 -6.554 -26.192 22.706 620 1HG1 VAL 93 1HG1 VAL 93 -6.862 -23.528 21.311 621 2HG1 VAL 93 2HG1 VAL 93 -7.722 -24.971 20.773 622 3HG1 VAL 93 3HG1 VAL 93 -8.002 -24.330 22.391 623 1HG2 VAL 93 1HG2 VAL 93 -4.567 -25.139 20.709 624 2HG2 VAL 93 2HG2 VAL 93 -4.778 -26.787 21.302 625 3HG2 VAL 93 3HG2 VAL 93 -5.935 -26.106 20.158 626 H GLU 94 H GLU 94 -4.928 -25.593 25.403 627 HA GLU 94 HA GLU 94 -7.200 -24.063 26.623 628 1HB GLU 94 1HB GLU 94 -6.313 -26.818 26.614 629 2HB GLU 94 2HB GLU 94 -6.385 -26.211 28.268 630 1HG GLU 94 1HG GLU 94 -8.702 -25.215 27.452 631 2HG GLU 94 2HG GLU 94 -8.586 -26.506 26.257 632 H GLU 95 H GLU 95 -3.829 -25.099 27.126 633 HA GLU 95 HA GLU 95 -3.658 -23.409 29.572 634 1HB GLU 95 1HB GLU 95 -1.639 -25.270 28.279 635 2HB GLU 95 2HB GLU 95 -1.576 -24.625 29.920 636 1HG GLU 95 1HG GLU 95 -4.124 -25.900 29.490 637 2HG GLU 95 2HG GLU 95 -2.830 -27.015 29.051 638 H LYS 96 H LYS 96 -2.916 -23.313 26.214 639 HA LYS 96 HA LYS 96 -1.176 -20.912 26.672 640 1HB LYS 96 1HB LYS 96 -0.788 -23.417 25.157 641 2HB LYS 96 2HB LYS 96 -0.368 -21.955 24.265 642 1HG LYS 96 1HG LYS 96 0.755 -21.407 26.689 643 2HG LYS 96 2HG LYS 96 0.934 -23.161 26.633 644 1HD LYS 96 1HD LYS 96 1.630 -22.293 24.060 645 2HD LYS 96 2HD LYS 96 2.373 -21.118 25.145 646 1HE LYS 96 1HE LYS 96 2.660 -24.136 25.401 647 2HE LYS 96 2HE LYS 96 3.892 -23.046 24.738 648 1HZ LYS 96 1HZ LYS 96 3.271 -21.773 26.985 649 2HZ LYS 96 2HZ LYS 96 2.977 -23.368 27.490 650 3HZ LYS 96 3HZ LYS 96 4.510 -22.930 26.903 651 H ASP 97 H ASP 97 -4.039 -22.113 25.320 652 HA ASP 97 HA ASP 97 -5.555 -21.221 23.729 653 1HB ASP 97 1HB ASP 97 -4.071 -18.964 25.022 654 2HB ASP 97 2HB ASP 97 -5.148 -18.582 23.677 655 H VAL 98 H VAL 98 -2.773 -22.064 22.819 656 HA VAL 98 HA VAL 98 -2.181 -20.181 20.628 657 HB VAL 98 HB VAL 98 -1.008 -22.750 21.704 658 1HG1 VAL 98 1HG1 VAL 98 -0.468 -21.326 19.117 659 2HG1 VAL 98 2HG1 VAL 98 0.873 -22.085 19.976 660 3HG1 VAL 98 3HG1 VAL 98 -0.501 -23.059 19.451 661 1HG2 VAL 98 1HG2 VAL 98 -0.670 -20.439 22.787 662 2HG2 VAL 98 2HG2 VAL 98 0.784 -21.364 22.414 663 3HG2 VAL 98 3HG2 VAL 98 0.286 -20.043 21.358 664 H ARG 99 H ARG 99 -3.022 -20.405 18.610 665 HA ARG 99 HA ARG 99 -3.979 -23.103 17.733 666 1HB ARG 99 1HB ARG 99 -5.385 -20.440 17.839 667 2HB ARG 99 2HB ARG 99 -5.864 -21.643 16.641 668 1HG ARG 99 1HG ARG 99 -5.680 -22.195 19.617 669 2HG ARG 99 2HG ARG 99 -7.177 -21.778 18.783 670 1HD ARG 99 1HD ARG 99 -5.423 -24.201 18.230 671 2HD ARG 99 2HD ARG 99 -7.052 -24.209 18.932 672 HE ARG 99 HE ARG 99 -7.797 -23.134 16.736 673 1HH1 ARG 99 1HH1 ARG 99 -5.711 -25.759 17.029 674 2HH1 ARG 99 2HH1 ARG 99 -5.305 -25.846 15.348 675 1HH2 ARG 99 1HH2 ARG 99 -6.929 -22.893 14.532 676 2HH2 ARG 99 2HH2 ARG 99 -5.995 -24.223 13.934 677 H LEU 100 H LEU 100 -4.251 -23.121 15.276 678 HA LEU 100 HA LEU 100 -1.999 -21.614 14.051 679 1HB LEU 100 1HB LEU 100 -3.707 -23.864 12.948 680 2HB LEU 100 2HB LEU 100 -2.128 -23.342 12.360 681 HG LEU 100 HG LEU 100 -1.882 -23.880 15.154 682 1HD1 LEU 100 1HD1 LEU 100 -3.919 -25.463 13.988 683 2HD1 LEU 100 2HD1 LEU 100 -2.501 -26.502 14.126 684 3HD1 LEU 100 3HD1 LEU 100 -3.147 -25.697 15.555 685 1HD2 LEU 100 1HD2 LEU 100 -0.454 -24.242 12.822 686 2HD2 LEU 100 2HD2 LEU 100 0.023 -24.856 14.404 687 3HD2 LEU 100 3HD2 LEU 100 -0.852 -25.897 13.281 688 H THR 101 H THR 101 -2.554 -19.713 13.068 689 HA THR 101 HA THR 101 -5.306 -19.171 12.206 690 HB THR 101 HB THR 101 -3.939 -17.044 11.384 691 HG1 THR 101 HG1 THR 101 -1.914 -17.142 11.861 692 1HG2 THR 101 1HG2 THR 101 -5.495 -17.428 13.438 693 2HG2 THR 101 2HG2 THR 101 -3.990 -17.535 14.351 694 3HG2 THR 101 3HG2 THR 101 -4.381 -16.060 13.466 695 H CYS 102 H CYS 102 -2.416 -20.419 10.757 696 HA CYS 102 HA CYS 102 -2.994 -19.600 8.019 697 1HB CYS 102 1HB CYS 102 -1.171 -21.252 7.549 698 2HB CYS 102 2HB CYS 102 -0.734 -20.112 8.818 699 H ILE 103 H ILE 103 -3.736 -22.398 10.045 700 HA ILE 103 HA ILE 103 -5.480 -23.445 7.843 701 HB ILE 103 HB ILE 103 -4.687 -25.703 8.465 702 1HG1 ILE 103 1HG1 ILE 103 -2.412 -25.305 9.974 703 2HG1 ILE 103 2HG1 ILE 103 -3.547 -24.166 10.698 704 1HG2 ILE 103 1HG2 ILE 103 -3.160 -23.652 7.213 705 2HG2 ILE 103 2HG2 ILE 103 -2.042 -24.625 8.168 706 3HG2 ILE 103 3HG2 ILE 103 -3.056 -25.392 6.946 707 1HD1 ILE 103 1HD1 ILE 103 -4.833 -26.711 10.125 708 2HD1 ILE 103 2HD1 ILE 103 -3.429 -26.925 11.171 709 3HD1 ILE 103 3HD1 ILE 103 -4.728 -25.835 11.653 710 H GLY 104 H GLY 104 -6.094 -21.843 10.301 711 1HA GLY 104 1HA GLY 104 -7.062 -22.517 12.544 712 2HA GLY 104 2HA GLY 104 -7.803 -23.870 11.690 713 H SER 105 H SER 105 -9.962 -23.340 11.951 714 HA SER 105 HA SER 105 -10.839 -20.715 10.789 715 1HB SER 105 1HB SER 105 -12.679 -21.900 9.820 716 2HB SER 105 2HB SER 105 -11.262 -22.907 9.520 717 HG SER 105 HG SER 105 -13.187 -23.972 10.417 718 HA PRO 106 HA PRO 106 -12.833 -19.978 14.629 719 1HB PRO 106 1HB PRO 106 -14.931 -18.426 13.806 720 2HB PRO 106 2HB PRO 106 -13.259 -17.839 13.871 721 1HG PRO 106 1HG PRO 106 -14.851 -18.791 11.536 722 2HG PRO 106 2HG PRO 106 -13.703 -17.448 11.644 723 1HD PRO 106 1HD PRO 106 -13.094 -19.873 10.548 724 2HD PRO 106 2HD PRO 106 -11.889 -18.812 11.308 725 H ALA 107 H ALA 107 -14.385 -21.022 15.869 726 HA ALA 107 HA ALA 107 -16.559 -22.489 14.408 727 1HB ALA 107 1HB ALA 107 -15.973 -23.859 16.777 728 2HB ALA 107 2HB ALA 107 -15.452 -24.321 15.158 729 3HB ALA 107 3HB ALA 107 -14.399 -23.340 16.176 730 H ALA 108 H ALA 108 -16.228 -19.859 16.148 731 HA ALA 108 HA ALA 108 -18.762 -20.283 17.654 732 1HB ALA 108 1HB ALA 108 -16.856 -20.762 19.168 733 2HB ALA 108 2HB ALA 108 -17.710 -19.302 19.667 734 3HB ALA 108 3HB ALA 108 -16.177 -19.176 18.804 735 H ASP 109 H ASP 109 -20.010 -18.379 17.753 736 HA ASP 109 HA ASP 109 -19.779 -16.359 15.857 737 1HB ASP 109 1HB ASP 109 -20.846 -16.153 18.693 738 2HB ASP 109 2HB ASP 109 -21.304 -15.111 17.346 739 H GLU 110 H GLU 110 -19.173 -15.556 19.281 740 HA GLU 110 HA GLU 110 -17.240 -13.484 18.446 741 1HB GLU 110 1HB GLU 110 -18.660 -14.330 20.962 742 2HB GLU 110 2HB GLU 110 -17.302 -13.209 21.055 743 1HG GLU 110 1HG GLU 110 -18.482 -11.803 19.301 744 2HG GLU 110 2HG GLU 110 -19.886 -12.848 19.516 745 H VAL 111 H VAL 111 -15.024 -13.696 18.674 746 HA VAL 111 HA VAL 111 -13.939 -15.878 20.384 747 HB VAL 111 HB VAL 111 -13.366 -15.511 17.425 748 1HG1 VAL 111 1HG1 VAL 111 -11.619 -16.447 19.252 749 2HG1 VAL 111 2HG1 VAL 111 -12.526 -17.928 18.945 750 3HG1 VAL 111 3HG1 VAL 111 -11.717 -17.099 17.616 751 1HG2 VAL 111 1HG2 VAL 111 -15.057 -17.459 18.991 752 2HG2 VAL 111 2HG2 VAL 111 -15.490 -16.535 17.553 753 3HG2 VAL 111 3HG2 VAL 111 -14.381 -17.899 17.422 754 H LYS 112 H LYS 112 -12.237 -15.028 21.518 755 HA LYS 112 HA LYS 112 -10.931 -12.548 20.483 756 1HB LYS 112 1HB LYS 112 -11.316 -13.848 23.179 757 2HB LYS 112 2HB LYS 112 -10.108 -12.582 22.955 758 1HG LYS 112 1HG LYS 112 -11.775 -11.094 23.274 759 2HG LYS 112 2HG LYS 112 -12.389 -11.579 21.693 760 1HD LYS 112 1HD LYS 112 -13.868 -13.189 22.655 761 2HD LYS 112 2HD LYS 112 -13.077 -13.080 24.228 762 1HE LYS 112 1HE LYS 112 -14.066 -11.018 24.727 763 2HE LYS 112 2HE LYS 112 -14.306 -10.609 23.019 764 1HZ LYS 112 1HZ LYS 112 -15.644 -12.971 23.348 765 2HZ LYS 112 2HZ LYS 112 -15.989 -12.127 24.779 766 3HZ LYS 112 3HZ LYS 112 -16.357 -11.431 23.275 767 H ILE 113 H ILE 113 -8.754 -12.585 19.960 768 HA ILE 113 HA ILE 113 -6.976 -14.715 20.920 769 HB ILE 113 HB ILE 113 -8.087 -15.890 19.144 770 1HG1 ILE 113 1HG1 ILE 113 -5.617 -14.781 17.806 771 2HG1 ILE 113 2HG1 ILE 113 -5.505 -15.837 19.214 772 1HG2 ILE 113 1HG2 ILE 113 -8.318 -13.250 18.049 773 2HG2 ILE 113 2HG2 ILE 113 -7.536 -14.283 16.852 774 3HG2 ILE 113 3HG2 ILE 113 -9.111 -14.730 17.508 775 1HD1 ILE 113 1HD1 ILE 113 -7.184 -16.621 16.837 776 2HD1 ILE 113 2HD1 ILE 113 -5.447 -16.925 16.849 777 3HD1 ILE 113 3HD1 ILE 113 -6.478 -17.656 18.079 778 H VAL 114 H VAL 114 -4.774 -14.161 20.610 779 HA VAL 114 HA VAL 114 -4.314 -11.379 19.620 780 HB VAL 114 HB VAL 114 -2.740 -13.244 21.424 781 1HG1 VAL 114 1HG1 VAL 114 -1.404 -11.583 19.992 782 2HG1 VAL 114 2HG1 VAL 114 -2.204 -10.314 20.921 783 3HG1 VAL 114 3HG1 VAL 114 -1.170 -11.486 21.738 784 1HG2 VAL 114 1HG2 VAL 114 -4.959 -11.528 21.891 785 2HG2 VAL 114 2HG2 VAL 114 -3.991 -12.391 23.088 786 3HG2 VAL 114 3HG2 VAL 114 -3.545 -10.754 22.607 787 H TYR 115 H TYR 115 -3.116 -11.111 17.756 788 HA TYR 115 HA TYR 115 -2.035 -13.549 16.459 789 1HB TYR 115 1HB TYR 115 -2.537 -12.456 14.510 790 2HB TYR 115 2HB TYR 115 -3.590 -11.527 15.566 791 HD1 TYR 115 HD1 TYR 115 -2.059 -9.588 16.914 792 HD2 TYR 115 HD2 TYR 115 -1.404 -11.158 12.964 793 HE1 TYR 115 HE1 TYR 115 -0.827 -7.534 16.300 794 HE2 TYR 115 HE2 TYR 115 -0.167 -9.095 12.359 795 HH TYR 115 HH TYR 115 -0.300 -6.283 14.132 796 H ASN 116 H ASN 116 0.123 -13.455 15.450 797 HA ASN 116 HA ASN 116 2.425 -12.875 15.383 798 1HB ASN 116 1HB ASN 116 1.074 -10.502 15.945 799 2HB ASN 116 2HB ASN 116 2.253 -10.624 17.247 800 2HD2 ASN 116 2HD2 ASN 116 2.237 -8.791 14.833 801 1HD2 ASN 116 1HD2 ASN 116 3.720 -9.075 14.056 802 H ALA 117 H ALA 117 1.718 -14.886 17.089 803 HA ALA 117 HA ALA 117 2.515 -14.325 19.851 804 1HB ALA 117 1HB ALA 117 2.067 -16.678 20.141 805 2HB ALA 117 2HB ALA 117 0.853 -16.060 19.022 806 3HB ALA 117 3HB ALA 117 2.229 -16.977 18.412 807 H LYS 118 H LYS 118 4.142 -15.198 16.905 808 HA LYS 118 HA LYS 118 6.382 -16.644 17.791 809 1HB LYS 118 1HB LYS 118 7.508 -15.483 15.857 810 2HB LYS 118 2HB LYS 118 5.919 -16.136 15.454 811 1HG LYS 118 1HG LYS 118 4.896 -13.971 15.626 812 2HG LYS 118 2HG LYS 118 6.347 -13.273 16.345 813 1HD LYS 118 1HD LYS 118 6.429 -14.537 13.607 814 2HD LYS 118 2HD LYS 118 5.923 -12.860 13.816 815 1HE LYS 118 1HE LYS 118 8.149 -12.719 15.271 816 2HE LYS 118 2HE LYS 118 8.622 -14.091 14.251 817 H HIS 119 H HIS 119 5.479 -13.357 18.471 818 HA HIS 119 HA HIS 119 8.007 -12.191 19.071 819 1HB HIS 119 1HB HIS 119 5.164 -11.835 20.020 820 2HB HIS 119 2HB HIS 119 6.461 -10.841 20.683 821 HD1 HIS 119 HD1 HIS 119 8.118 -9.947 18.488 822 HD2 HIS 119 HD2 HIS 119 4.030 -10.511 17.883 823 HE1 HIS 119 HE1 HIS 119 7.503 -8.591 16.440 824 H LEU 120 H LEU 120 5.837 -14.233 21.005 825 HA LEU 120 HA LEU 120 6.888 -14.038 23.568 826 1HB LEU 120 1HB LEU 120 5.046 -15.480 23.108 827 2HB LEU 120 2HB LEU 120 5.959 -16.386 21.902 828 HG LEU 120 HG LEU 120 7.359 -17.375 23.594 829 1HD1 LEU 120 1HD1 LEU 120 5.974 -15.438 25.469 830 2HD1 LEU 120 2HD1 LEU 120 6.974 -16.781 26.019 831 3HD1 LEU 120 3HD1 LEU 120 7.689 -15.485 25.061 832 1HD2 LEU 120 1HD2 LEU 120 4.454 -17.536 23.722 833 2HD2 LEU 120 2HD2 LEU 120 5.649 -18.828 23.834 834 3HD2 LEU 120 3HD2 LEU 120 5.192 -17.922 25.277 835 H ASP 121 H ASP 121 8.949 -14.259 24.353 836 HA ASP 121 HA ASP 121 11.174 -15.097 22.751 837 1HB ASP 121 1HB ASP 121 11.100 -13.576 24.792 838 2HB ASP 121 2HB ASP 121 10.957 -15.035 25.774 839 H TYR 122 H TYR 122 9.093 -16.814 25.046 840 HA TYR 122 HA TYR 122 10.689 -19.184 25.325 841 1HB TYR 122 1HB TYR 122 8.665 -18.302 26.662 842 2HB TYR 122 2HB TYR 122 7.670 -19.016 25.393 843 HD1 TYR 122 HD1 TYR 122 10.403 -19.821 27.814 844 HD2 TYR 122 HD2 TYR 122 7.164 -21.317 25.425 845 HE1 TYR 122 HE1 TYR 122 10.648 -22.047 28.879 846 HE2 TYR 122 HE2 TYR 122 7.409 -23.545 26.489 847 HH TYR 122 HH TYR 122 9.881 -24.651 27.886 848 H LEU 123 H LEU 123 9.009 -17.949 22.627 849 HA LEU 123 HA LEU 123 8.985 -20.670 21.355 850 1HB LEU 123 1HB LEU 123 6.936 -18.662 21.750 851 2HB LEU 123 2HB LEU 123 7.176 -18.956 20.027 852 HG LEU 123 HG LEU 123 7.235 -21.474 21.393 853 1HD1 LEU 123 1HD1 LEU 123 5.039 -19.575 22.188 854 2HD1 LEU 123 2HD1 LEU 123 4.717 -21.305 22.069 855 3HD1 LEU 123 3HD1 LEU 123 5.937 -20.710 23.194 856 1HD2 LEU 123 1HD2 LEU 123 6.173 -20.272 19.062 857 2HD2 LEU 123 2HD2 LEU 123 6.178 -21.987 19.472 858 3HD2 LEU 123 3HD2 LEU 123 4.803 -20.978 19.919 859 H GLN 124 H GLN 124 9.894 -17.307 21.120 860 HA GLN 124 HA GLN 124 10.357 -17.111 18.304 861 1HB GLN 124 1HB GLN 124 10.264 -15.251 19.962 862 2HB GLN 124 2HB GLN 124 11.797 -15.804 20.637 863 1HG GLN 124 1HG GLN 124 12.446 -14.108 19.132 864 2HG GLN 124 2HG GLN 124 12.695 -15.589 18.208 865 2HE2 GLN 124 2HE2 GLN 124 11.934 -12.743 17.318 866 1HE2 GLN 124 1HE2 GLN 124 10.541 -12.963 16.374 867 H ASN 125 H ASN 125 12.119 -18.731 20.840 868 HA ASN 125 HA ASN 125 14.716 -18.811 19.597 869 1HB ASN 125 1HB ASN 125 14.103 -19.276 22.000 870 2HB ASN 125 2HB ASN 125 13.403 -20.806 21.471 871 2HD2 ASN 125 2HD2 ASN 125 14.843 -22.550 21.064 872 1HD2 ASN 125 1HD2 ASN 125 16.532 -22.422 21.191 873 H ARG 126 H ARG 126 11.749 -20.477 18.942 874 HA ARG 126 HA ARG 126 12.783 -22.907 17.813 875 1HB ARG 126 1HB ARG 126 10.423 -22.362 18.523 876 2HB ARG 126 2HB ARG 126 10.280 -21.357 17.081 877 1HG ARG 126 1HG ARG 126 10.746 -23.302 15.655 878 2HG ARG 126 2HG ARG 126 10.956 -24.314 17.084 879 1HD ARG 126 1HD ARG 126 8.632 -24.058 17.699 880 2HD ARG 126 2HD ARG 126 8.388 -22.816 16.458 881 HE ARG 126 HE ARG 126 8.228 -24.560 14.867 882 1HH1 ARG 126 1HH1 ARG 126 10.943 -25.665 15.206 883 2HH1 ARG 126 2HH1 ARG 126 10.641 -27.269 15.784 884 1HH2 ARG 126 1HH2 ARG 126 7.362 -26.605 16.698 885 2HH2 ARG 126 2HH2 ARG 126 8.612 -27.802 16.630 886 H VAL 127 H VAL 127 12.886 -19.654 16.705 887 HA VAL 127 HA VAL 127 12.703 -19.873 13.900 888 HB VAL 127 HB VAL 127 12.953 -17.786 15.205 889 1HG1 VAL 127 1HG1 VAL 127 15.772 -18.823 15.624 890 2HG1 VAL 127 2HG1 VAL 127 15.257 -17.178 15.995 891 3HG1 VAL 127 3HG1 VAL 127 14.558 -18.539 16.870 892 1HG2 VAL 127 1HG2 VAL 127 14.395 -18.467 12.796 893 2HG2 VAL 127 2HG2 VAL 127 13.612 -16.945 13.223 894 3HG2 VAL 127 3HG2 VAL 127 15.284 -17.242 13.701 895 H ILE 128 H ILE 128 14.058 -20.733 12.337 896 HA ILE 128 HA ILE 128 16.080 -22.632 13.018 897 HB ILE 128 HB ILE 128 15.530 -21.083 10.465 898 1HG1 ILE 128 1HG1 ILE 128 14.655 -23.797 10.395 899 2HG1 ILE 128 2HG1 ILE 128 14.040 -23.077 11.883 900 1HG2 ILE 128 1HG2 ILE 128 17.441 -23.223 11.175 901 2HG2 ILE 128 2HG2 ILE 128 16.494 -23.530 9.719 902 3HG2 ILE 128 3HG2 ILE 128 17.484 -22.074 9.837 903 1HD1 ILE 128 1HD1 ILE 128 13.826 -21.335 9.513 904 2HD1 ILE 128 2HD1 ILE 128 12.853 -22.803 9.425 905 3HD1 ILE 128 3HD1 ILE 128 12.635 -21.679 10.766 No H/Q in entry = 905 Start of MODEL 9 1 H2 PRO 1 H2 PRO 1 -17.880 -15.572 10.642 2 H3 PRO 1 H3 PRO 1 -19.384 -16.367 10.684 3 HA PRO 1 HA PRO 1 -19.792 -15.406 12.630 4 1HB PRO 1 1HB PRO 1 -17.926 -16.376 14.382 5 2HB PRO 1 2HB PRO 1 -19.254 -17.359 13.738 6 1HG PRO 1 1HG PRO 1 -16.395 -17.244 12.903 7 2HG PRO 1 2HG PRO 1 -17.468 -18.643 13.055 8 1HD PRO 1 1HD PRO 1 -16.857 -17.474 10.673 9 2HD PRO 1 2HD PRO 1 -18.389 -18.318 10.980 10 H THR 2 H THR 2 -18.689 -14.103 14.556 11 HA THR 2 HA THR 2 -16.939 -12.070 13.286 12 HB THR 2 HB THR 2 -18.680 -12.272 15.744 13 HG1 THR 2 HG1 THR 2 -19.123 -11.524 13.356 14 1HG2 THR 2 1HG2 THR 2 -16.358 -10.498 15.281 15 2HG2 THR 2 2HG2 THR 2 -17.839 -9.686 15.790 16 3HG2 THR 2 3HG2 THR 2 -17.141 -10.958 16.792 17 H VAL 3 H VAL 3 -14.937 -11.422 14.284 18 HA VAL 3 HA VAL 3 -13.899 -13.148 16.481 19 HB VAL 3 HB VAL 3 -12.786 -12.798 13.689 20 1HG1 VAL 3 1HG1 VAL 3 -11.407 -13.857 16.174 21 2HG1 VAL 3 2HG1 VAL 3 -10.793 -14.061 14.533 22 3HG1 VAL 3 3HG1 VAL 3 -10.932 -12.446 15.229 23 1HG2 VAL 3 1HG2 VAL 3 -14.462 -14.645 14.341 24 2HG2 VAL 3 2HG2 VAL 3 -12.970 -15.159 13.553 25 3HG2 VAL 3 3HG2 VAL 3 -13.147 -15.328 15.299 26 H GLU 4 H GLU 4 -11.692 -12.255 17.218 27 HA GLU 4 HA GLU 4 -11.435 -9.317 16.719 28 1HB GLU 4 1HB GLU 4 -12.550 -10.592 18.996 29 2HB GLU 4 2HB GLU 4 -10.970 -9.980 19.487 30 1HG GLU 4 1HG GLU 4 -11.813 -7.896 19.581 31 2HG GLU 4 2HG GLU 4 -12.216 -7.984 17.866 32 H TYR 5 H TYR 5 -9.332 -9.013 16.083 33 HA TYR 5 HA TYR 5 -7.248 -10.913 17.067 34 1HB TYR 5 1HB TYR 5 -5.985 -9.975 15.116 35 2HB TYR 5 2HB TYR 5 -7.530 -10.687 14.653 36 HD1 TYR 5 HD1 TYR 5 -5.772 -7.489 15.337 37 HD2 TYR 5 HD2 TYR 5 -9.295 -9.350 13.732 38 HE1 TYR 5 HE1 TYR 5 -6.472 -5.321 14.360 39 HE2 TYR 5 HE2 TYR 5 -9.996 -7.180 12.755 40 HH TYR 5 HH TYR 5 -7.887 -4.476 12.588 41 H LEU 6 H LEU 6 -5.641 -10.190 18.420 42 HA LEU 6 HA LEU 6 -5.329 -7.229 18.796 43 1HB LEU 6 1HB LEU 6 -6.612 -8.063 20.645 44 2HB LEU 6 2HB LEU 6 -5.586 -9.484 20.805 45 HG LEU 6 HG LEU 6 -3.869 -8.293 21.839 46 1HD1 LEU 6 1HD1 LEU 6 -4.938 -5.992 20.255 47 2HD1 LEU 6 2HD1 LEU 6 -4.066 -5.633 21.746 48 3HD1 LEU 6 3HD1 LEU 6 -3.272 -6.535 20.455 49 1HD2 LEU 6 1HD2 LEU 6 -6.556 -7.200 22.561 50 2HD2 LEU 6 2HD2 LEU 6 -5.459 -8.199 23.514 51 3HD2 LEU 6 3HD2 LEU 6 -5.128 -6.480 23.305 52 H ASN 7 H ASN 7 -3.258 -6.692 18.252 53 HA ASN 7 HA ASN 7 -1.157 -8.452 17.630 54 1HB ASN 7 1HB ASN 7 -1.352 -6.040 17.060 55 2HB ASN 7 2HB ASN 7 -1.027 -5.633 18.744 56 2HD2 ASN 7 2HD2 ASN 7 0.936 -4.483 17.771 57 1HD2 ASN 7 1HD2 ASN 7 2.331 -5.401 17.470 58 H TYR 8 H TYR 8 0.052 -9.771 18.916 59 HA TYR 8 HA TYR 8 -0.123 -9.816 21.780 60 1HB TYR 8 1HB TYR 8 0.458 -11.795 20.566 61 2HB TYR 8 2HB TYR 8 1.764 -10.973 19.714 62 HD1 TYR 8 HD1 TYR 8 3.819 -10.257 20.977 63 HD2 TYR 8 HD2 TYR 8 0.784 -12.734 22.741 64 HE1 TYR 8 HE1 TYR 8 5.400 -10.920 22.768 65 HE2 TYR 8 HE2 TYR 8 2.365 -13.396 24.532 66 HH TYR 8 HH TYR 8 5.418 -11.812 24.965 67 H GLU 9 H GLU 9 2.231 -8.391 19.524 68 HA GLU 9 HA GLU 9 4.232 -7.620 21.389 69 1HB GLU 9 1HB GLU 9 3.244 -6.727 18.705 70 2HB GLU 9 2HB GLU 9 4.417 -5.708 19.539 71 1HG GLU 9 1HG GLU 9 4.996 -8.626 19.483 72 2HG GLU 9 2HG GLU 9 5.149 -7.764 17.952 73 H THR 10 H THR 10 1.089 -6.217 20.642 74 HA THR 10 HA THR 10 1.522 -3.639 21.864 75 HB THR 10 HB THR 10 -0.893 -5.353 21.229 76 HG1 THR 10 HG1 THR 10 0.382 -3.105 20.090 77 1HG2 THR 10 1HG2 THR 10 -0.772 -3.159 23.039 78 2HG2 THR 10 2HG2 THR 10 -1.570 -2.591 21.573 79 3HG2 THR 10 3HG2 THR 10 -2.206 -3.991 22.439 80 H LEU 11 H LEU 11 0.560 -6.806 23.089 81 HA LEU 11 HA LEU 11 -0.259 -5.847 25.716 82 1HB LEU 11 1HB LEU 11 -1.041 -7.935 24.566 83 2HB LEU 11 2HB LEU 11 0.577 -8.603 24.758 84 HG LEU 11 HG LEU 11 0.393 -8.657 27.126 85 1HD1 LEU 11 1HD1 LEU 11 -1.985 -6.830 26.717 86 2HD1 LEU 11 2HD1 LEU 11 -1.662 -7.641 28.248 87 3HD1 LEU 11 3HD1 LEU 11 -0.498 -6.486 27.602 88 1HD2 LEU 11 1HD2 LEU 11 -1.212 -10.172 25.640 89 2HD2 LEU 11 2HD2 LEU 11 -1.307 -10.208 27.401 90 3HD2 LEU 11 3HD2 LEU 11 -2.466 -9.255 26.474 91 H ASP 12 H ASP 12 2.644 -7.496 24.421 92 HA ASP 12 HA ASP 12 4.087 -7.504 26.924 93 1HB ASP 12 1HB ASP 12 4.365 -8.384 24.217 94 2HB ASP 12 2HB ASP 12 5.815 -7.469 24.636 95 H ASP 13 H ASP 13 4.289 -5.402 24.026 96 HA ASP 13 HA ASP 13 6.289 -3.624 24.993 97 1HB ASP 13 1HB ASP 13 5.492 -3.777 22.663 98 2HB ASP 13 2HB ASP 13 3.913 -3.166 23.155 99 H GLN 14 H GLN 14 2.729 -3.174 24.985 100 HA GLN 14 HA GLN 14 2.729 -0.813 26.603 101 1HB GLN 14 1HB GLN 14 0.930 -1.995 25.097 102 2HB GLN 14 2HB GLN 14 0.521 -2.861 26.579 103 1HG GLN 14 1HG GLN 14 -0.677 -1.080 27.258 104 2HG GLN 14 2HG GLN 14 0.799 -0.116 27.266 105 2HE2 GLN 14 2HE2 GLN 14 -2.219 0.131 26.129 106 1HE2 GLN 14 1HE2 GLN 14 -1.947 0.893 24.637 107 H GLY 15 H GLY 15 3.191 -4.152 27.387 108 1HA GLY 15 1HA GLY 15 3.672 -3.520 30.182 109 2HA GLY 15 2HA GLY 15 3.749 -5.127 29.459 110 H TRP 16 H TRP 16 0.947 -4.635 28.338 111 HA TRP 16 HA TRP 16 -0.755 -4.501 30.732 112 1HB TRP 16 1HB TRP 16 -0.980 -4.444 27.806 113 2HB TRP 16 2HB TRP 16 -2.280 -5.354 28.576 114 HD1 TRP 16 HD1 TRP 16 -4.209 -3.644 28.445 115 HE1 TRP 16 HE1 TRP 16 -4.596 -1.286 29.415 116 HE3 TRP 16 HE3 TRP 16 0.488 -2.615 30.166 117 HZ2 TRP 16 HZ2 TRP 16 -3.109 0.764 30.745 118 HZ3 TRP 16 HZ3 TRP 16 0.976 -0.456 31.278 119 HH2 TRP 16 HH2 TRP 16 -0.815 1.234 31.571 120 H ASP 17 H ASP 17 -2.638 -6.409 30.419 121 HA ASP 17 HA ASP 17 -1.110 -8.989 30.572 122 1HB ASP 17 1HB ASP 17 -3.447 -7.848 32.116 123 2HB ASP 17 2HB ASP 17 -3.040 -9.563 32.175 124 H MET 18 H MET 18 -2.796 -10.905 30.302 125 HA MET 18 HA MET 18 -3.968 -10.629 27.646 126 1HB MET 18 1HB MET 18 -3.764 -12.782 29.755 127 2HB MET 18 2HB MET 18 -4.670 -13.045 28.265 128 1HG MET 18 1HG MET 18 -2.678 -12.539 26.932 129 2HG MET 18 2HG MET 18 -1.764 -12.183 28.397 130 1HE MET 18 1HE MET 18 -0.185 -13.527 29.080 131 2HE MET 18 2HE MET 18 0.057 -15.243 28.761 132 3HE MET 18 3HE MET 18 0.094 -14.091 27.428 133 H ASP 19 H ASP 19 -5.371 -11.444 30.858 134 HA ASP 19 HA ASP 19 -8.001 -10.433 29.821 135 1HB ASP 19 1HB ASP 19 -7.414 -12.945 30.551 136 2HB ASP 19 2HB ASP 19 -7.787 -12.295 32.147 137 H ASP 20 H ASP 20 -5.494 -9.800 32.008 138 HA ASP 20 HA ASP 20 -6.988 -8.828 34.281 139 1HB ASP 20 1HB ASP 20 -4.326 -9.239 33.492 140 2HB ASP 20 2HB ASP 20 -4.445 -7.504 33.784 141 H ASP 21 H ASP 21 -5.085 -6.861 31.968 142 HA ASP 21 HA ASP 21 -6.714 -4.497 32.534 143 1HB ASP 21 1HB ASP 21 -4.544 -5.048 30.484 144 2HB ASP 21 2HB ASP 21 -5.126 -3.453 30.963 145 H ASP 22 H ASP 22 -7.539 -7.121 30.822 146 HA ASP 22 HA ASP 22 -8.944 -7.516 28.959 147 1HB ASP 22 1HB ASP 22 -9.795 -5.205 30.508 148 2HB ASP 22 2HB ASP 22 -10.318 -5.068 28.830 149 H LEU 23 H LEU 23 -6.453 -6.813 28.069 150 HA LEU 23 HA LEU 23 -5.915 -4.582 26.551 151 1HB LEU 23 1HB LEU 23 -4.822 -7.003 26.825 152 2HB LEU 23 2HB LEU 23 -5.579 -7.260 25.253 153 HG LEU 23 HG LEU 23 -4.476 -5.102 24.493 154 1HD1 LEU 23 1HD1 LEU 23 -3.710 -5.135 27.295 155 2HD1 LEU 23 2HD1 LEU 23 -2.290 -5.048 26.253 156 3HD1 LEU 23 3HD1 LEU 23 -3.560 -3.831 26.116 157 1HD2 LEU 23 1HD2 LEU 23 -3.237 -7.704 25.050 158 2HD2 LEU 23 2HD2 LEU 23 -3.203 -6.737 23.575 159 3HD2 LEU 23 3HD2 LEU 23 -2.063 -6.398 24.878 160 H PHE 24 H PHE 24 -7.605 -7.414 25.147 161 HA PHE 24 HA PHE 24 -8.407 -6.410 22.698 162 1HB PHE 24 1HB PHE 24 -9.474 -8.298 24.729 163 2HB PHE 24 2HB PHE 24 -10.622 -7.781 23.496 164 HD1 PHE 24 HD1 PHE 24 -9.922 -7.985 21.033 165 HD2 PHE 24 HD2 PHE 24 -7.827 -9.915 24.249 166 HE1 PHE 24 HE1 PHE 24 -8.888 -9.557 19.418 167 HE2 PHE 24 HE2 PHE 24 -6.795 -11.487 22.632 168 HZ PHE 24 HZ PHE 24 -7.328 -11.310 20.218 169 H GLU 25 H GLU 25 -9.586 -5.534 25.872 170 HA GLU 25 HA GLU 25 -11.783 -3.889 24.699 171 1HB GLU 25 1HB GLU 25 -11.433 -5.473 27.002 172 2HB GLU 25 2HB GLU 25 -11.487 -3.809 27.584 173 1HG GLU 25 1HG GLU 25 -13.759 -4.632 27.508 174 2HG GLU 25 2HG GLU 25 -13.565 -3.476 26.190 175 H LYS 26 H LYS 26 -8.909 -3.556 26.799 176 HA LYS 26 HA LYS 26 -9.159 -0.675 27.064 177 1HB LYS 26 1HB LYS 26 -7.726 -2.785 28.205 178 2HB LYS 26 2HB LYS 26 -6.492 -1.809 27.409 179 1HG LYS 26 1HG LYS 26 -8.616 -0.614 29.203 180 2HG LYS 26 2HG LYS 26 -7.043 -1.136 29.806 181 1HD LYS 26 1HD LYS 26 -5.895 0.428 28.372 182 2HD LYS 26 2HD LYS 26 -7.387 0.822 27.518 183 1HE LYS 26 1HE LYS 26 -7.988 1.296 30.217 184 2HE LYS 26 2HE LYS 26 -6.352 1.945 29.997 185 1HZ LYS 26 1HZ LYS 26 -7.194 2.960 27.888 186 2HZ LYS 26 2HZ LYS 26 -8.766 2.518 28.357 187 3HZ LYS 26 3HZ LYS 26 -7.877 3.620 29.296 188 H ALA 27 H ALA 27 -8.177 -2.660 24.493 189 HA ALA 27 HA ALA 27 -6.086 -0.923 23.411 190 1HB ALA 27 1HB ALA 27 -6.978 -2.556 21.379 191 2HB ALA 27 2HB ALA 27 -7.454 -3.464 22.813 192 3HB ALA 27 3HB ALA 27 -5.765 -3.017 22.573 193 H ALA 28 H ALA 28 -9.566 -1.100 23.236 194 HA ALA 28 HA ALA 28 -9.804 0.433 20.751 195 1HB ALA 28 1HB ALA 28 -11.414 -1.143 22.498 196 2HB ALA 28 2HB ALA 28 -11.861 -0.481 20.926 197 3HB ALA 28 3HB ALA 28 -12.162 0.451 22.392 198 H ASP 29 H ASP 29 -9.418 1.161 24.127 199 HA ASP 29 HA ASP 29 -10.445 3.930 23.802 200 1HB ASP 29 1HB ASP 29 -10.784 2.252 25.785 201 2HB ASP 29 2HB ASP 29 -9.161 2.755 26.260 202 H ALA 30 H ALA 30 -7.513 2.226 23.487 203 HA ALA 30 HA ALA 30 -5.802 4.513 24.284 204 1HB ALA 30 1HB ALA 30 -4.521 2.724 24.807 205 2HB ALA 30 2HB ALA 30 -4.301 2.455 23.078 206 3HB ALA 30 3HB ALA 30 -5.605 1.638 23.939 207 H GLY 31 H GLY 31 -7.054 2.935 21.406 208 1HA GLY 31 1HA GLY 31 -6.121 5.180 19.760 209 2HA GLY 31 2HA GLY 31 -7.158 3.860 19.220 210 H LEU 32 H LEU 32 -5.799 1.611 19.536 211 HA LEU 32 HA LEU 32 -2.972 1.900 18.748 212 1HB LEU 32 1HB LEU 32 -4.813 -0.128 19.777 213 2HB LEU 32 2HB LEU 32 -3.762 -0.764 18.513 214 HG LEU 32 HG LEU 32 -2.775 -0.950 20.815 215 1HD1 LEU 32 1HD1 LEU 32 -1.373 0.877 18.841 216 2HD1 LEU 32 2HD1 LEU 32 -0.575 0.046 20.176 217 3HD1 LEU 32 3HD1 LEU 32 -1.305 -0.885 18.867 218 1HD2 LEU 32 1HD2 LEU 32 -3.673 1.749 20.954 219 2HD2 LEU 32 2HD2 LEU 32 -2.859 0.815 22.208 220 3HD2 LEU 32 3HD2 LEU 32 -1.914 1.773 21.068 221 H ASP 33 H ASP 33 -2.393 0.217 16.842 222 HA ASP 33 HA ASP 33 -3.474 1.306 14.409 223 1HB ASP 33 1HB ASP 33 -1.889 -1.222 14.980 224 2HB ASP 33 2HB ASP 33 -2.065 -0.470 13.394 225 H GLY 34 H GLY 34 -4.711 0.098 12.772 226 1HA GLY 34 1HA GLY 34 -6.764 -0.993 12.289 227 2HA GLY 34 2HA GLY 34 -6.862 -1.482 13.981 228 H GLU 35 H GLU 35 -3.963 -2.071 12.115 229 HA GLU 35 HA GLU 35 -4.670 -4.795 11.340 230 1HB GLU 35 1HB GLU 35 -3.092 -3.466 10.052 231 2HB GLU 35 2HB GLU 35 -2.081 -3.216 11.475 232 1HG GLU 35 1HG GLU 35 -1.736 -5.698 11.593 233 2HG GLU 35 2HG GLU 35 -2.619 -5.851 10.074 234 H ASP 36 H ASP 36 -3.225 -3.241 14.118 235 HA ASP 36 HA ASP 36 -2.108 -5.725 15.236 236 1HB ASP 36 1HB ASP 36 -2.534 -2.930 16.352 237 2HB ASP 36 2HB ASP 36 -1.556 -4.187 17.110 238 H TYR 37 H TYR 37 -4.792 -3.484 16.031 239 HA TYR 37 HA TYR 37 -6.117 -5.755 17.474 240 1HB TYR 37 1HB TYR 37 -5.264 -4.356 19.181 241 2HB TYR 37 2HB TYR 37 -5.607 -2.887 18.267 242 HD1 TYR 37 HD1 TYR 37 -7.380 -5.847 19.750 243 HD2 TYR 37 HD2 TYR 37 -7.526 -1.665 18.785 244 HE1 TYR 37 HE1 TYR 37 -9.588 -5.667 20.867 245 HE2 TYR 37 HE2 TYR 37 -9.733 -1.484 19.901 246 HH TYR 37 HH TYR 37 -10.879 -3.250 22.002 247 H GLY 38 H GLY 38 -8.363 -5.877 17.144 248 1HA GLY 38 1HA GLY 38 -9.420 -4.428 14.845 249 2HA GLY 38 2HA GLY 38 -10.176 -3.952 16.366 250 H THR 39 H THR 39 -12.050 -4.958 14.985 251 HA THR 39 HA THR 39 -12.444 -7.720 15.994 252 HB THR 39 HB THR 39 -14.299 -5.733 14.642 253 HG1 THR 39 HG1 THR 39 -13.268 -5.328 16.821 254 1HG2 THR 39 1HG2 THR 39 -14.709 -8.395 14.855 255 2HG2 THR 39 2HG2 THR 39 -15.300 -7.876 16.433 256 3HG2 THR 39 3HG2 THR 39 -16.012 -7.212 14.964 257 H MET 40 H MET 40 -12.194 -9.446 14.635 258 HA MET 40 HA MET 40 -11.840 -8.967 11.732 259 1HB MET 40 1HB MET 40 -10.745 -10.649 13.705 260 2HB MET 40 2HB MET 40 -11.670 -11.716 12.649 261 1HG MET 40 1HG MET 40 -9.944 -9.640 11.366 262 2HG MET 40 2HG MET 40 -9.150 -11.044 12.078 263 1HE MET 40 1HE MET 40 -8.878 -13.009 11.306 264 2HE MET 40 2HE MET 40 -10.478 -13.735 11.423 265 3HE MET 40 3HE MET 40 -9.581 -13.836 9.910 266 H GLU 41 H GLU 41 -13.262 -9.793 10.171 267 HA GLU 41 HA GLU 41 -15.692 -11.232 11.187 268 1HB GLU 41 1HB GLU 41 -15.433 -8.641 10.077 269 2HB GLU 41 2HB GLU 41 -16.173 -9.638 8.824 270 1HG GLU 41 1HG GLU 41 -17.147 -9.591 11.692 271 2HG GLU 41 2HG GLU 41 -17.813 -8.554 10.429 272 H VAL 42 H VAL 42 -15.603 -13.271 10.318 273 HA VAL 42 HA VAL 42 -15.086 -13.540 7.397 274 HB VAL 42 HB VAL 42 -12.917 -13.888 8.310 275 1HG1 VAL 42 1HG1 VAL 42 -14.456 -15.156 10.542 276 2HG1 VAL 42 2HG1 VAL 42 -12.803 -15.697 10.252 277 3HG1 VAL 42 3HG1 VAL 42 -13.125 -14.001 10.615 278 1HG2 VAL 42 1HG2 VAL 42 -14.322 -16.564 8.067 279 2HG2 VAL 42 2HG2 VAL 42 -13.511 -15.677 6.776 280 3HG2 VAL 42 3HG2 VAL 42 -12.570 -16.365 8.100 281 H ALA 43 H ALA 43 -16.072 -15.439 6.512 282 HA ALA 43 HA ALA 43 -18.362 -16.453 8.014 283 1HB ALA 43 1HB ALA 43 -18.709 -17.701 5.864 284 2HB ALA 43 2HB ALA 43 -18.465 -15.971 5.624 285 3HB ALA 43 3HB ALA 43 -17.147 -17.098 5.309 286 H GLU 44 H GLU 44 -18.727 -18.743 8.456 287 HA GLU 44 HA GLU 44 -16.472 -20.098 9.629 288 1HB GLU 44 1HB GLU 44 -19.222 -20.173 9.774 289 2HB GLU 44 2HB GLU 44 -18.860 -21.684 8.939 290 1HG GLU 44 1HG GLU 44 -17.010 -21.915 10.811 291 2HG GLU 44 2HG GLU 44 -18.052 -20.795 11.689 292 H GLY 45 H GLY 45 -14.928 -21.204 8.504 293 1HA GLY 45 1HA GLY 45 -15.736 -22.523 5.940 294 2HA GLY 45 2HA GLY 45 -14.570 -23.235 7.058 295 H GLU 46 H GLU 46 -14.323 -19.852 6.883 296 HA GLU 46 HA GLU 46 -12.328 -19.902 4.676 297 1HB GLU 46 1HB GLU 46 -13.786 -17.788 6.271 298 2HB GLU 46 2HB GLU 46 -12.456 -17.372 5.192 299 1HG GLU 46 1HG GLU 46 -13.824 -18.865 3.476 300 2HG GLU 46 2HG GLU 46 -15.173 -18.445 4.530 301 H TYR 47 H TYR 47 -10.194 -20.134 5.206 302 HA TYR 47 HA TYR 47 -9.100 -20.494 7.739 303 1HB TYR 47 1HB TYR 47 -8.018 -19.370 5.153 304 2HB TYR 47 2HB TYR 47 -6.967 -19.646 6.542 305 HD1 TYR 47 HD1 TYR 47 -7.866 -22.073 7.755 306 HD2 TYR 47 HD2 TYR 47 -7.725 -21.069 3.580 307 HE1 TYR 47 HE1 TYR 47 -7.738 -24.482 7.178 308 HE2 TYR 47 HE2 TYR 47 -7.598 -23.477 3.005 309 HH TYR 47 HH TYR 47 -6.814 -25.843 5.162 310 H ILE 48 H ILE 48 -8.888 -19.146 9.474 311 HA ILE 48 HA ILE 48 -9.721 -16.482 9.646 312 HB ILE 48 HB ILE 48 -7.520 -17.953 11.130 313 1HG1 ILE 48 1HG1 ILE 48 -10.497 -17.644 11.606 314 2HG1 ILE 48 2HG1 ILE 48 -9.631 -19.137 11.247 315 1HG2 ILE 48 1HG2 ILE 48 -8.288 -15.228 11.275 316 2HG2 ILE 48 2HG2 ILE 48 -8.964 -16.017 12.700 317 3HG2 ILE 48 3HG2 ILE 48 -7.231 -16.105 12.382 318 1HD1 ILE 48 1HD1 ILE 48 -9.061 -17.430 13.686 319 2HD1 ILE 48 2HD1 ILE 48 -10.180 -18.793 13.699 320 3HD1 ILE 48 3HD1 ILE 48 -8.470 -19.059 13.357 321 H LEU 49 H LEU 49 -6.285 -17.509 9.448 322 HA LEU 49 HA LEU 49 -5.080 -15.015 9.108 323 1HB LEU 49 1HB LEU 49 -3.751 -16.971 9.351 324 2HB LEU 49 2HB LEU 49 -4.527 -17.765 7.980 325 HG LEU 49 HG LEU 49 -3.129 -15.173 7.473 326 1HD1 LEU 49 1HD1 LEU 49 -1.776 -17.802 8.103 327 2HD1 LEU 49 2HD1 LEU 49 -1.012 -16.584 7.083 328 3HD1 LEU 49 3HD1 LEU 49 -1.414 -16.204 8.757 329 1HD2 LEU 49 1HD2 LEU 49 -4.380 -17.117 5.940 330 2HD2 LEU 49 2HD2 LEU 49 -3.280 -15.881 5.327 331 3HD2 LEU 49 3HD2 LEU 49 -2.667 -17.484 5.732 332 H GLU 50 H GLU 50 -6.723 -17.001 6.654 333 HA GLU 50 HA GLU 50 -6.017 -15.325 4.400 334 1HB GLU 50 1HB GLU 50 -6.653 -17.640 4.115 335 2HB GLU 50 2HB GLU 50 -8.182 -17.375 4.950 336 1HG GLU 50 1HG GLU 50 -8.837 -17.303 2.704 337 2HG GLU 50 2HG GLU 50 -8.595 -15.595 3.066 338 H ALA 51 H ALA 51 -9.014 -15.659 6.333 339 HA ALA 51 HA ALA 51 -10.517 -13.626 5.043 340 1HB ALA 51 1HB ALA 51 -10.902 -15.466 7.001 341 2HB ALA 51 2HB ALA 51 -10.816 -13.994 7.969 342 3HB ALA 51 3HB ALA 51 -12.023 -14.140 6.691 343 H ALA 52 H ALA 52 -8.634 -13.408 8.059 344 HA ALA 52 HA ALA 52 -8.929 -10.581 8.400 345 1HB ALA 52 1HB ALA 52 -7.954 -11.230 10.330 346 2HB ALA 52 2HB ALA 52 -7.648 -12.819 9.630 347 3HB ALA 52 3HB ALA 52 -6.448 -11.537 9.466 348 H GLU 53 H GLU 53 -6.593 -12.536 6.616 349 HA GLU 53 HA GLU 53 -4.669 -10.480 6.075 350 1HB GLU 53 1HB GLU 53 -4.132 -12.792 5.724 351 2HB GLU 53 2HB GLU 53 -5.530 -13.025 4.674 352 1HG GLU 53 1HG GLU 53 -4.555 -11.566 2.981 353 2HG GLU 53 2HG GLU 53 -3.203 -11.184 4.046 354 H ALA 54 H ALA 54 -7.791 -11.256 4.685 355 HA ALA 54 HA ALA 54 -7.475 -9.727 2.236 356 1HB ALA 54 1HB ALA 54 -9.205 -11.596 3.225 357 2HB ALA 54 2HB ALA 54 -9.562 -10.582 1.827 358 3HB ALA 54 3HB ALA 54 -10.162 -10.128 3.423 359 H GLN 55 H GLN 55 -8.305 -8.964 5.541 360 HA GLN 55 HA GLN 55 -9.504 -6.354 4.877 361 1HB GLN 55 1HB GLN 55 -8.917 -8.003 7.317 362 2HB GLN 55 2HB GLN 55 -9.276 -6.287 7.512 363 1HG GLN 55 1HG GLN 55 -11.040 -8.186 5.944 364 2HG GLN 55 2HG GLN 55 -11.294 -7.816 7.649 365 2HE2 GLN 55 2HE2 GLN 55 -13.408 -7.042 6.210 366 1HE2 GLN 55 1HE2 GLN 55 -13.403 -5.380 5.869 367 H GLY 56 H GLY 56 -6.358 -7.615 5.349 368 1HA GLY 56 1HA GLY 56 -5.310 -4.851 5.823 369 2HA GLY 56 2HA GLY 56 -4.500 -6.026 4.787 370 H TYR 57 H TYR 57 -5.718 -7.799 7.268 371 HA TYR 57 HA TYR 57 -3.781 -7.206 9.372 372 1HB TYR 57 1HB TYR 57 -5.596 -9.583 8.841 373 2HB TYR 57 2HB TYR 57 -4.812 -9.219 10.380 374 HD1 TYR 57 HD1 TYR 57 -5.159 -6.114 9.990 375 HD2 TYR 57 HD2 TYR 57 -7.846 -9.455 9.774 376 HE1 TYR 57 HE1 TYR 57 -7.055 -4.629 10.586 377 HE2 TYR 57 HE2 TYR 57 -9.740 -7.976 10.371 378 HH TYR 57 HH TYR 57 -9.402 -4.513 10.476 379 H ASP 58 H ASP 58 -1.732 -8.058 9.537 380 HA ASP 58 HA ASP 58 -0.888 -10.067 7.495 381 1HB ASP 58 1HB ASP 58 0.381 -8.031 7.494 382 2HB ASP 58 2HB ASP 58 0.533 -8.050 9.252 383 H TRP 59 H TRP 59 -0.098 -12.075 8.138 384 HA TRP 59 HA TRP 59 0.168 -12.582 11.084 385 1HB TRP 59 1HB TRP 59 -1.114 -14.373 8.995 386 2HB TRP 59 2HB TRP 59 -1.041 -14.678 10.730 387 HD1 TRP 59 HD1 TRP 59 -2.396 -11.964 8.335 388 HE1 TRP 59 HE1 TRP 59 -4.569 -11.022 9.345 389 HE3 TRP 59 HE3 TRP 59 -2.546 -14.583 12.716 390 HZ2 TRP 59 HZ2 TRP 59 -6.157 -11.327 11.699 391 HZ3 TRP 59 HZ3 TRP 59 -4.403 -14.238 14.322 392 HH2 TRP 59 HH2 TRP 59 -6.208 -12.613 13.817 393 HA PRO 60 HA PRO 60 3.985 -14.401 9.839 394 1HB PRO 60 1HB PRO 60 4.472 -15.885 12.086 395 2HB PRO 60 2HB PRO 60 4.665 -14.123 12.033 396 1HG PRO 60 1HG PRO 60 2.435 -15.758 13.140 397 2HG PRO 60 2HG PRO 60 3.151 -14.263 13.758 398 1HD PRO 60 1HD PRO 60 0.783 -14.379 12.381 399 2HD PRO 60 2HD PRO 60 1.829 -12.945 12.436 400 H PHE 61 H PHE 61 4.512 -16.283 8.726 401 HA PHE 61 HA PHE 61 3.221 -18.850 9.374 402 1HB PHE 61 1HB PHE 61 2.039 -19.010 7.261 403 2HB PHE 61 2HB PHE 61 1.580 -17.484 8.017 404 HD1 PHE 61 HD1 PHE 61 3.586 -19.057 5.344 405 HD2 PHE 61 HD2 PHE 61 2.307 -15.355 7.107 406 HE1 PHE 61 HE1 PHE 61 4.408 -17.825 3.355 407 HE2 PHE 61 HE2 PHE 61 3.130 -14.123 5.117 408 HZ PHE 61 HZ PHE 61 4.180 -15.358 3.240 409 H SER 62 H SER 62 4.300 -20.611 8.307 410 HA SER 62 HA SER 62 6.590 -19.908 6.531 411 1HB SER 62 1HB SER 62 8.085 -21.207 8.002 412 2HB SER 62 2HB SER 62 7.330 -19.892 8.901 413 HG SER 62 HG SER 62 6.924 -22.638 9.062 414 H CYS 63 H CYS 63 5.207 -22.728 8.265 415 HA CYS 63 HA CYS 63 5.836 -24.515 6.062 416 1HB CYS 63 1HB CYS 63 5.293 -26.146 7.614 417 2HB CYS 63 2HB CYS 63 5.651 -24.798 8.687 418 H ARG 64 H ARG 64 2.885 -22.851 7.154 419 HA ARG 64 HA ARG 64 0.806 -22.564 6.053 420 1HB ARG 64 1HB ARG 64 2.408 -23.536 3.673 421 2HB ARG 64 2HB ARG 64 0.987 -22.493 3.640 422 1HG ARG 64 1HG ARG 64 2.704 -21.166 5.370 423 2HG ARG 64 2HG ARG 64 3.792 -21.807 4.138 424 1HD ARG 64 1HD ARG 64 1.281 -20.189 3.565 425 2HD ARG 64 2HD ARG 64 2.941 -19.568 3.485 426 HE ARG 64 HE ARG 64 1.688 -21.357 1.539 427 1HH1 ARG 64 1HH1 ARG 64 3.915 -23.052 2.092 428 2HH1 ARG 64 2HH1 ARG 64 5.230 -22.362 1.202 429 1HH2 ARG 64 1HH2 ARG 64 3.689 -19.283 0.794 430 2HH2 ARG 64 2HH2 ARG 64 5.103 -20.229 0.466 431 H ALA 65 H ALA 65 1.481 -25.274 7.155 432 HA ALA 65 HA ALA 65 -0.525 -26.839 5.615 433 1HB ALA 65 1HB ALA 65 1.803 -28.282 6.774 434 2HB ALA 65 2HB ALA 65 0.956 -28.559 5.252 435 3HB ALA 65 3HB ALA 65 2.142 -27.261 5.377 436 H GLY 66 H GLY 66 0.295 -25.503 8.532 437 1HA GLY 66 1HA GLY 66 -1.621 -27.132 9.989 438 2HA GLY 66 2HA GLY 66 -0.686 -25.795 10.655 439 H ALA 67 H ALA 67 1.920 -26.814 9.969 440 HA ALA 67 HA ALA 67 2.055 -29.147 11.846 441 1HB ALA 67 1HB ALA 67 2.870 -30.351 10.127 442 2HB ALA 67 2HB ALA 67 2.693 -28.954 9.065 443 3HB ALA 67 3HB ALA 67 4.195 -29.201 9.955 444 H CYS 68 H CYS 68 2.622 -26.084 12.066 445 HA CYS 68 HA CYS 68 5.172 -26.441 13.524 446 1HB CYS 68 1HB CYS 68 6.427 -25.000 12.197 447 2HB CYS 68 2HB CYS 68 5.405 -25.752 10.978 448 H ALA 69 H ALA 69 5.712 -23.886 14.301 449 HA ALA 69 HA ALA 69 3.119 -22.921 15.475 450 1HB ALA 69 1HB ALA 69 5.886 -23.193 16.685 451 2HB ALA 69 2HB ALA 69 4.519 -22.434 17.501 452 3HB ALA 69 3HB ALA 69 4.460 -24.148 17.092 453 H ASN 70 H ASN 70 5.397 -22.037 13.301 454 HA ASN 70 HA ASN 70 6.349 -19.482 14.067 455 1HB ASN 70 1HB ASN 70 5.614 -20.835 11.477 456 2HB ASN 70 2HB ASN 70 6.185 -19.167 11.471 457 2HD2 ASN 70 2HD2 ASN 70 8.269 -19.628 10.524 458 1HD2 ASN 70 1HD2 ASN 70 9.455 -20.532 11.335 459 H CYS 71 H CYS 71 3.218 -20.460 12.714 460 HA CYS 71 HA CYS 71 2.277 -17.644 12.650 461 1HB CYS 71 1HB CYS 71 0.475 -18.564 11.358 462 2HB CYS 71 2HB CYS 71 1.924 -19.418 10.833 463 H ALA 72 H ALA 72 2.714 -19.637 15.100 464 HA ALA 72 HA ALA 72 0.356 -20.303 16.396 465 1HB ALA 72 1HB ALA 72 3.055 -19.323 17.217 466 2HB ALA 72 2HB ALA 72 1.819 -19.465 18.467 467 3HB ALA 72 3HB ALA 72 2.287 -20.881 17.526 468 H SER 73 H SER 73 -0.957 -19.211 17.984 469 HA SER 73 HA SER 73 -0.906 -16.224 17.984 470 1HB SER 73 1HB SER 73 -2.671 -17.921 16.508 471 2HB SER 73 2HB SER 73 -3.604 -17.169 17.802 472 HG SER 73 HG SER 73 -3.126 -15.200 17.036 473 H ILE 74 H ILE 74 -3.310 -15.924 19.409 474 HA ILE 74 HA ILE 74 -3.072 -17.665 21.811 475 HB ILE 74 HB ILE 74 -2.598 -14.685 21.643 476 1HG1 ILE 74 1HG1 ILE 74 -0.664 -16.222 21.386 477 2HG1 ILE 74 2HG1 ILE 74 -0.549 -15.264 22.862 478 1HG2 ILE 74 1HG2 ILE 74 -3.878 -16.233 23.767 479 2HG2 ILE 74 2HG2 ILE 74 -2.420 -15.411 24.324 480 3HG2 ILE 74 3HG2 ILE 74 -3.730 -14.483 23.592 481 1HD1 ILE 74 1HD1 ILE 74 -1.744 -17.265 24.003 482 2HD1 ILE 74 2HD1 ILE 74 -1.286 -18.173 22.561 483 3HD1 ILE 74 3HD1 ILE 74 -0.042 -17.454 23.583 484 H VAL 75 H VAL 75 -5.233 -18.274 20.830 485 HA VAL 75 HA VAL 75 -7.451 -16.609 20.449 486 HB VAL 75 HB VAL 75 -7.528 -18.958 19.969 487 1HG1 VAL 75 1HG1 VAL 75 -6.277 -19.129 22.576 488 2HG1 VAL 75 2HG1 VAL 75 -7.642 -20.241 22.472 489 3HG1 VAL 75 3HG1 VAL 75 -6.334 -20.336 21.292 490 1HG2 VAL 75 1HG2 VAL 75 -9.582 -17.720 21.134 491 2HG2 VAL 75 2HG2 VAL 75 -9.655 -19.439 20.745 492 3HG2 VAL 75 3HG2 VAL 75 -9.285 -18.922 22.390 493 H LYS 76 H LYS 76 -8.261 -15.064 21.838 494 HA LYS 76 HA LYS 76 -7.769 -15.238 24.732 495 1HB LYS 76 1HB LYS 76 -7.783 -13.187 23.121 496 2HB LYS 76 2HB LYS 76 -9.535 -13.255 23.306 497 1HG LYS 76 1HG LYS 76 -8.578 -13.512 25.912 498 2HG LYS 76 2HG LYS 76 -7.512 -12.309 25.187 499 1HD LYS 76 1HD LYS 76 -9.169 -10.826 25.638 500 2HD LYS 76 2HD LYS 76 -10.000 -11.544 24.257 501 1HE LYS 76 1HE LYS 76 -11.539 -12.576 25.592 502 2HE LYS 76 2HE LYS 76 -10.309 -13.069 26.772 503 1HZ LYS 76 1HZ LYS 76 -10.968 -10.216 26.463 504 2HZ LYS 76 2HZ LYS 76 -12.008 -11.201 27.374 505 3HZ LYS 76 3HZ LYS 76 -10.380 -11.039 27.828 506 H GLU 77 H GLU 77 -10.246 -16.235 22.558 507 HA GLU 77 HA GLU 77 -11.839 -17.459 24.599 508 1HB GLU 77 1HB GLU 77 -12.081 -14.687 24.485 509 2HB GLU 77 2HB GLU 77 -13.481 -15.259 23.580 510 1HG GLU 77 1HG GLU 77 -14.271 -16.549 25.424 511 2HG GLU 77 2HG GLU 77 -12.739 -16.394 26.283 512 H GLY 78 H GLY 78 -14.096 -18.058 23.631 513 1HA GLY 78 1HA GLY 78 -14.340 -17.921 20.727 514 2HA GLY 78 2HA GLY 78 -15.409 -18.807 21.814 515 H GLU 79 H GLU 79 -14.430 -19.898 19.367 516 HA GLU 79 HA GLU 79 -12.263 -21.777 20.125 517 1HB GLU 79 1HB GLU 79 -14.551 -22.572 20.961 518 2HB GLU 79 2HB GLU 79 -14.997 -22.753 19.263 519 1HG GLU 79 1HG GLU 79 -13.956 -24.746 19.205 520 2HG GLU 79 2HG GLU 79 -12.433 -23.961 19.628 521 H ILE 80 H ILE 80 -11.281 -22.726 18.281 522 HA ILE 80 HA ILE 80 -12.263 -21.690 15.642 523 HB ILE 80 HB ILE 80 -9.479 -22.372 16.642 524 1HG1 ILE 80 1HG1 ILE 80 -10.753 -19.704 15.962 525 2HG1 ILE 80 2HG1 ILE 80 -10.483 -20.301 17.599 526 1HG2 ILE 80 1HG2 ILE 80 -10.119 -22.668 14.115 527 2HG2 ILE 80 2HG2 ILE 80 -10.110 -20.905 14.094 528 3HG2 ILE 80 3HG2 ILE 80 -8.648 -21.788 14.532 529 1HD1 ILE 80 1HD1 ILE 80 -8.230 -20.072 15.599 530 2HD1 ILE 80 2HD1 ILE 80 -8.696 -18.720 16.632 531 3HD1 ILE 80 3HD1 ILE 80 -8.121 -20.224 17.353 532 H ASP 81 H ASP 81 -12.406 -23.186 13.932 533 HA ASP 81 HA ASP 81 -12.407 -26.041 14.712 534 1HB ASP 81 1HB ASP 81 -13.834 -24.304 12.966 535 2HB ASP 81 2HB ASP 81 -13.056 -25.525 11.958 536 H MET 82 H MET 82 -10.872 -27.502 14.021 537 HA MET 82 HA MET 82 -8.928 -26.623 11.917 538 1HB MET 82 1HB MET 82 -8.525 -26.972 14.715 539 2HB MET 82 2HB MET 82 -7.690 -28.295 13.900 540 1HG MET 82 1HG MET 82 -6.053 -26.886 13.266 541 2HG MET 82 2HG MET 82 -7.232 -25.882 12.421 542 1HE MET 82 1HE MET 82 -6.976 -27.091 15.880 543 2HE MET 82 2HE MET 82 -5.393 -26.346 16.087 544 3HE MET 82 3HE MET 82 -6.799 -25.693 16.938 545 H ASP 83 H ASP 83 -7.429 -28.859 11.650 546 HA ASP 83 HA ASP 83 -9.437 -31.012 11.061 547 1HB ASP 83 1HB ASP 83 -6.835 -30.305 9.666 548 2HB ASP 83 2HB ASP 83 -7.997 -31.521 9.139 549 H MET 84 H MET 84 -8.033 -33.187 10.684 550 HA MET 84 HA MET 84 -7.033 -33.980 13.249 551 1HB MET 84 1HB MET 84 -8.016 -35.261 11.156 552 2HB MET 84 2HB MET 84 -6.320 -35.375 10.685 553 1HG MET 84 1HG MET 84 -6.434 -36.018 13.443 554 2HG MET 84 2HG MET 84 -7.745 -36.907 12.668 555 1HE MET 84 1HE MET 84 -6.028 -38.235 14.097 556 2HE MET 84 2HE MET 84 -5.252 -39.529 13.187 557 3HE MET 84 3HE MET 84 -4.293 -38.162 13.751 558 H GLN 85 H GLN 85 -5.016 -33.691 14.108 559 HA GLN 85 HA GLN 85 -2.606 -33.692 12.436 560 1HB GLN 85 1HB GLN 85 -2.018 -31.359 12.966 561 2HB GLN 85 2HB GLN 85 -3.569 -31.418 12.128 562 1HG GLN 85 1HG GLN 85 -4.574 -31.544 14.544 563 2HG GLN 85 2HG GLN 85 -3.012 -30.893 15.038 564 2HE2 GLN 85 2HE2 GLN 85 -2.341 -28.996 13.269 565 1HE2 GLN 85 1HE2 GLN 85 -3.558 -27.831 13.065 566 H GLN 86 H GLN 86 -0.867 -32.444 14.235 567 HA GLN 86 HA GLN 86 -1.321 -33.263 16.985 568 1HB GLN 86 1HB GLN 86 -0.606 -35.247 15.103 569 2HB GLN 86 2HB GLN 86 0.850 -34.929 16.045 570 1HG GLN 86 1HG GLN 86 -1.844 -35.371 17.345 571 2HG GLN 86 2HG GLN 86 -0.745 -36.703 16.987 572 2HE2 GLN 86 2HE2 GLN 86 -1.482 -35.898 19.692 573 1HE2 GLN 86 1HE2 GLN 86 -0.070 -35.350 20.459 574 H ILE 87 H ILE 87 -0.213 -30.993 15.359 575 HA ILE 87 HA ILE 87 2.668 -30.958 16.003 576 HB ILE 87 HB ILE 87 1.646 -30.037 13.904 577 1HG1 ILE 87 1HG1 ILE 87 2.846 -27.806 14.046 578 2HG1 ILE 87 2HG1 ILE 87 3.111 -28.141 15.757 579 1HG2 ILE 87 1HG2 ILE 87 -0.392 -29.148 15.186 580 2HG2 ILE 87 2HG2 ILE 87 0.635 -27.800 15.669 581 3HG2 ILE 87 3HG2 ILE 87 0.289 -28.075 13.963 582 1HD1 ILE 87 1HD1 ILE 87 3.943 -30.050 13.557 583 2HD1 ILE 87 2HD1 ILE 87 5.019 -28.817 14.216 584 3HD1 ILE 87 3HD1 ILE 87 4.407 -30.102 15.258 585 H LEU 88 H LEU 88 -0.312 -29.298 17.057 586 HA LEU 88 HA LEU 88 1.210 -27.864 19.170 587 1HB LEU 88 1HB LEU 88 -0.875 -26.605 19.387 588 2HB LEU 88 2HB LEU 88 -0.461 -26.740 17.679 589 HG LEU 88 HG LEU 88 -1.938 -28.977 17.932 590 1HD1 LEU 88 1HD1 LEU 88 -2.560 -27.272 20.265 591 2HD1 LEU 88 2HD1 LEU 88 -3.967 -27.824 19.354 592 3HD1 LEU 88 3HD1 LEU 88 -2.835 -28.998 20.026 593 1HD2 LEU 88 1HD2 LEU 88 -2.211 -26.490 16.736 594 2HD2 LEU 88 2HD2 LEU 88 -3.288 -27.866 16.494 595 3HD2 LEU 88 3HD2 LEU 88 -3.684 -26.636 17.694 596 H SER 89 H SER 89 0.197 -27.872 21.402 597 HA SER 89 HA SER 89 -0.702 -30.639 22.098 598 1HB SER 89 1HB SER 89 1.255 -30.172 23.277 599 2HB SER 89 2HB SER 89 0.879 -28.454 23.414 600 HG SER 89 HG SER 89 0.629 -29.722 25.376 601 H ASP 90 H ASP 90 -2.543 -30.898 23.461 602 HA ASP 90 HA ASP 90 -4.704 -29.081 23.142 603 1HB ASP 90 1HB ASP 90 -4.034 -31.528 24.636 604 2HB ASP 90 2HB ASP 90 -5.281 -30.545 25.405 605 H GLU 91 H GLU 91 -2.631 -29.644 25.994 606 HA GLU 91 HA GLU 91 -3.763 -27.737 27.738 607 1HB GLU 91 1HB GLU 91 -1.646 -29.506 27.705 608 2HB GLU 91 2HB GLU 91 -0.823 -27.948 27.770 609 1HG GLU 91 1HG GLU 91 -1.495 -27.563 29.901 610 2HG GLU 91 2HG GLU 91 -3.138 -28.112 29.570 611 H GLU 92 H GLU 92 -1.912 -27.269 24.849 612 HA GLU 92 HA GLU 92 -0.959 -24.582 25.489 613 1HB GLU 92 1HB GLU 92 -0.464 -26.587 23.604 614 2HB GLU 92 2HB GLU 92 -1.182 -25.277 22.666 615 1HG GLU 92 1HG GLU 92 0.632 -23.942 22.938 616 2HG GLU 92 2HG GLU 92 0.786 -24.357 24.644 617 H VAL 93 H VAL 93 -3.674 -25.968 23.649 618 HA VAL 93 HA VAL 93 -4.672 -23.424 22.681 619 HB VAL 93 HB VAL 93 -6.188 -26.012 23.109 620 1HG1 VAL 93 1HG1 VAL 93 -6.508 -23.541 21.482 621 2HG1 VAL 93 2HG1 VAL 93 -6.938 -25.061 20.699 622 3HG1 VAL 93 3HG1 VAL 93 -7.737 -24.583 22.198 623 1HG2 VAL 93 1HG2 VAL 93 -3.837 -25.448 21.448 624 2HG2 VAL 93 2HG2 VAL 93 -4.574 -26.997 21.859 625 3HG2 VAL 93 3HG2 VAL 93 -5.209 -26.047 20.515 626 H GLU 94 H GLU 94 -5.041 -25.239 25.653 627 HA GLU 94 HA GLU 94 -7.384 -23.638 26.511 628 1HB GLU 94 1HB GLU 94 -7.404 -25.986 27.022 629 2HB GLU 94 2HB GLU 94 -5.766 -25.919 27.675 630 1HG GLU 94 1HG GLU 94 -6.451 -24.985 29.664 631 2HG GLU 94 2HG GLU 94 -7.790 -24.115 28.914 632 H GLU 95 H GLU 95 -4.059 -24.296 27.700 633 HA GLU 95 HA GLU 95 -4.231 -22.001 29.552 634 1HB GLU 95 1HB GLU 95 -2.002 -23.958 28.900 635 2HB GLU 95 2HB GLU 95 -2.046 -22.870 30.288 636 1HG GLU 95 1HG GLU 95 -4.171 -23.986 31.022 637 2HG GLU 95 2HG GLU 95 -3.969 -25.142 29.706 638 H LYS 96 H LYS 96 -2.337 -22.955 26.668 639 HA LYS 96 HA LYS 96 -0.980 -20.333 26.602 640 1HB LYS 96 1HB LYS 96 -0.318 -22.883 25.895 641 2HB LYS 96 2HB LYS 96 -0.797 -22.225 24.329 642 1HG LYS 96 1HG LYS 96 1.141 -21.091 24.189 643 2HG LYS 96 2HG LYS 96 0.796 -20.275 25.713 644 1HD LYS 96 1HD LYS 96 1.602 -23.050 26.122 645 2HD LYS 96 2HD LYS 96 2.837 -22.124 25.269 646 1HE LYS 96 1HE LYS 96 2.157 -20.323 27.187 647 2HE LYS 96 2HE LYS 96 1.857 -21.838 28.059 648 1HZ LYS 96 1HZ LYS 96 4.268 -21.607 26.394 649 2HZ LYS 96 2HZ LYS 96 4.265 -20.841 27.910 650 3HZ LYS 96 3HZ LYS 96 4.018 -22.518 27.807 651 H ASP 97 H ASP 97 -3.956 -21.534 25.548 652 HA ASP 97 HA ASP 97 -5.509 -20.788 23.914 653 1HB ASP 97 1HB ASP 97 -3.994 -18.481 25.040 654 2HB ASP 97 2HB ASP 97 -5.001 -18.149 23.628 655 H VAL 98 H VAL 98 -2.690 -21.658 22.996 656 HA VAL 98 HA VAL 98 -2.113 -19.976 20.684 657 HB VAL 98 HB VAL 98 -0.418 -21.251 21.965 658 1HG1 VAL 98 1HG1 VAL 98 -2.116 -23.555 21.026 659 2HG1 VAL 98 2HG1 VAL 98 -0.406 -23.793 21.389 660 3HG1 VAL 98 3HG1 VAL 98 -1.503 -23.223 22.647 661 1HG2 VAL 98 1HG2 VAL 98 -0.282 -20.752 19.415 662 2HG2 VAL 98 2HG2 VAL 98 0.852 -21.919 20.095 663 3HG2 VAL 98 3HG2 VAL 98 -0.570 -22.480 19.216 664 H ARG 99 H ARG 99 -2.213 -20.773 18.453 665 HA ARG 99 HA ARG 99 -3.746 -23.125 17.731 666 1HB ARG 99 1HB ARG 99 -5.206 -20.957 18.669 667 2HB ARG 99 2HB ARG 99 -5.279 -20.757 16.918 668 1HG ARG 99 1HG ARG 99 -6.989 -22.255 17.039 669 2HG ARG 99 2HG ARG 99 -5.702 -23.454 17.177 670 1HD ARG 99 1HD ARG 99 -6.095 -23.798 19.418 671 2HD ARG 99 2HD ARG 99 -6.505 -22.096 19.706 672 HE ARG 99 HE ARG 99 -8.471 -23.311 17.986 673 1HH1 ARG 99 1HH1 ARG 99 -8.517 -21.650 20.704 674 2HH1 ARG 99 2HH1 ARG 99 -9.537 -22.696 21.633 675 1HH2 ARG 99 1HH2 ARG 99 -9.290 -25.347 19.411 676 2HH2 ARG 99 2HH2 ARG 99 -9.975 -24.790 20.902 677 H LEU 100 H LEU 100 -3.923 -23.303 15.374 678 HA LEU 100 HA LEU 100 -1.896 -21.640 13.968 679 1HB LEU 100 1HB LEU 100 -3.388 -24.114 13.052 680 2HB LEU 100 2HB LEU 100 -1.876 -23.479 12.404 681 HG LEU 100 HG LEU 100 -2.282 -24.539 15.218 682 1HD1 LEU 100 1HD1 LEU 100 -1.344 -25.733 12.664 683 2HD1 LEU 100 2HD1 LEU 100 -0.392 -26.116 14.099 684 3HD1 LEU 100 3HD1 LEU 100 -2.111 -26.504 14.052 685 1HD2 LEU 100 1HD2 LEU 100 -0.604 -22.654 14.896 686 2HD2 LEU 100 2HD2 LEU 100 0.067 -24.155 15.536 687 3HD2 LEU 100 3HD2 LEU 100 0.292 -23.743 13.837 688 H THR 101 H THR 101 -2.829 -19.791 13.126 689 HA THR 101 HA THR 101 -5.609 -19.722 12.219 690 HB THR 101 HB THR 101 -5.030 -17.381 11.730 691 HG1 THR 101 HG1 THR 101 -2.472 -18.470 11.858 692 1HG2 THR 101 1HG2 THR 101 -4.587 -18.711 14.260 693 2HG2 THR 101 2HG2 THR 101 -3.558 -17.286 14.127 694 3HG2 THR 101 3HG2 THR 101 -5.305 -17.131 13.948 695 H CYS 102 H CYS 102 -2.522 -20.407 10.763 696 HA CYS 102 HA CYS 102 -3.167 -19.662 8.046 697 1HB CYS 102 1HB CYS 102 -1.142 -20.879 7.543 698 2HB CYS 102 2HB CYS 102 -0.895 -20.072 9.090 699 H ILE 103 H ILE 103 -3.768 -22.536 10.000 700 HA ILE 103 HA ILE 103 -5.240 -23.719 7.666 701 HB ILE 103 HB ILE 103 -4.382 -25.894 8.374 702 1HG1 ILE 103 1HG1 ILE 103 -2.422 -25.205 10.296 703 2HG1 ILE 103 2HG1 ILE 103 -3.926 -24.456 10.831 704 1HG2 ILE 103 1HG2 ILE 103 -2.745 -23.713 7.492 705 2HG2 ILE 103 2HG2 ILE 103 -1.782 -24.739 8.555 706 3HG2 ILE 103 3HG2 ILE 103 -2.564 -25.430 7.132 707 1HD1 ILE 103 1HD1 ILE 103 -4.490 -27.102 9.854 708 2HD1 ILE 103 2HD1 ILE 103 -3.184 -27.191 11.034 709 3HD1 ILE 103 3HD1 ILE 103 -4.725 -26.458 11.478 710 H GLY 104 H GLY 104 -6.040 -22.120 10.182 711 1HA GLY 104 1HA GLY 104 -7.237 -22.935 12.277 712 2HA GLY 104 2HA GLY 104 -7.968 -24.153 11.234 713 H SER 105 H SER 105 -10.110 -23.503 11.345 714 HA SER 105 HA SER 105 -10.722 -20.787 10.229 715 1HB SER 105 1HB SER 105 -12.744 -21.856 9.370 716 2HB SER 105 2HB SER 105 -11.349 -22.835 8.919 717 HG SER 105 HG SER 105 -12.412 -24.371 9.863 718 HA PRO 106 HA PRO 106 -12.743 -19.791 14.000 719 1HB PRO 106 1HB PRO 106 -14.748 -18.161 13.099 720 2HB PRO 106 2HB PRO 106 -13.048 -17.662 13.156 721 1HG PRO 106 1HG PRO 106 -14.676 -18.606 10.846 722 2HG PRO 106 2HG PRO 106 -13.448 -17.336 10.913 723 1HD PRO 106 1HD PRO 106 -12.992 -19.843 9.917 724 2HD PRO 106 2HD PRO 106 -11.725 -18.819 10.623 725 H ALA 107 H ALA 107 -14.441 -20.596 15.266 726 HA ALA 107 HA ALA 107 -16.523 -22.204 13.825 727 1HB ALA 107 1HB ALA 107 -16.421 -23.310 16.269 728 2HB ALA 107 2HB ALA 107 -14.800 -22.618 16.225 729 3HB ALA 107 3HB ALA 107 -15.297 -23.777 14.992 730 H ALA 108 H ALA 108 -16.234 -21.150 17.203 731 HA ALA 108 HA ALA 108 -18.945 -20.640 17.686 732 1HB ALA 108 1HB ALA 108 -16.336 -19.598 18.749 733 2HB ALA 108 2HB ALA 108 -17.843 -18.910 19.353 734 3HB ALA 108 3HB ALA 108 -17.524 -20.634 19.540 735 H ASP 109 H ASP 109 -19.894 -18.366 18.088 736 HA ASP 109 HA ASP 109 -19.856 -16.864 15.603 737 1HB ASP 109 1HB ASP 109 -21.883 -17.073 16.880 738 2HB ASP 109 2HB ASP 109 -21.093 -16.485 18.343 739 H GLU 110 H GLU 110 -19.257 -15.674 18.932 740 HA GLU 110 HA GLU 110 -17.426 -13.616 17.800 741 1HB GLU 110 1HB GLU 110 -19.269 -13.917 20.066 742 2HB GLU 110 2HB GLU 110 -17.736 -13.175 20.521 743 1HG GLU 110 1HG GLU 110 -17.992 -11.489 18.772 744 2HG GLU 110 2HG GLU 110 -19.469 -12.267 18.202 745 H VAL 111 H VAL 111 -15.346 -14.423 17.651 746 HA VAL 111 HA VAL 111 -14.258 -15.886 20.039 747 HB VAL 111 HB VAL 111 -13.460 -16.138 17.123 748 1HG1 VAL 111 1HG1 VAL 111 -12.864 -17.798 19.591 749 2HG1 VAL 111 2HG1 VAL 111 -12.415 -18.252 17.947 750 3HG1 VAL 111 3HG1 VAL 111 -11.713 -16.814 18.688 751 1HG2 VAL 111 1HG2 VAL 111 -15.770 -17.152 18.523 752 2HG2 VAL 111 2HG2 VAL 111 -15.321 -17.372 16.832 753 3HG2 VAL 111 3HG2 VAL 111 -14.724 -18.492 18.057 754 H LYS 112 H LYS 112 -12.232 -15.178 20.793 755 HA LYS 112 HA LYS 112 -11.066 -12.795 19.386 756 1HB LYS 112 1HB LYS 112 -11.322 -13.520 22.318 757 2HB LYS 112 2HB LYS 112 -10.353 -12.167 21.738 758 1HG LYS 112 1HG LYS 112 -12.251 -10.942 21.869 759 2HG LYS 112 2HG LYS 112 -12.777 -11.816 20.431 760 1HD LYS 112 1HD LYS 112 -14.283 -13.055 21.596 761 2HD LYS 112 2HD LYS 112 -13.171 -13.303 22.942 762 1HE LYS 112 1HE LYS 112 -14.811 -11.941 23.933 763 2HE LYS 112 2HE LYS 112 -13.643 -10.724 23.385 764 1HZ LYS 112 1HZ LYS 112 -14.868 -10.575 21.289 765 2HZ LYS 112 2HZ LYS 112 -16.006 -11.701 21.858 766 3HZ LYS 112 3HZ LYS 112 -15.869 -10.181 22.603 767 H ILE 113 H ILE 113 -8.812 -12.775 19.143 768 HA ILE 113 HA ILE 113 -7.118 -14.798 20.429 769 HB ILE 113 HB ILE 113 -8.090 -16.124 18.667 770 1HG1 ILE 113 1HG1 ILE 113 -5.520 -15.185 17.412 771 2HG1 ILE 113 2HG1 ILE 113 -5.497 -16.002 18.975 772 1HG2 ILE 113 1HG2 ILE 113 -8.098 -13.576 17.297 773 2HG2 ILE 113 2HG2 ILE 113 -7.346 -14.808 16.284 774 3HG2 ILE 113 3HG2 ILE 113 -8.981 -15.049 16.899 775 1HD1 ILE 113 1HD1 ILE 113 -7.128 -17.262 16.824 776 2HD1 ILE 113 2HD1 ILE 113 -5.375 -17.349 16.648 777 3HD1 ILE 113 3HD1 ILE 113 -6.151 -18.018 18.083 778 H VAL 114 H VAL 114 -4.970 -14.127 20.431 779 HA VAL 114 HA VAL 114 -4.425 -11.425 19.387 780 HB VAL 114 HB VAL 114 -3.595 -13.135 21.528 781 1HG1 VAL 114 1HG1 VAL 114 -1.294 -12.141 19.817 782 2HG1 VAL 114 2HG1 VAL 114 -1.137 -12.773 21.457 783 3HG1 VAL 114 3HG1 VAL 114 -1.684 -13.828 20.154 784 1HG2 VAL 114 1HG2 VAL 114 -4.032 -10.477 21.079 785 2HG2 VAL 114 2HG2 VAL 114 -3.284 -11.124 22.538 786 3HG2 VAL 114 3HG2 VAL 114 -2.276 -10.514 21.226 787 H TYR 115 H TYR 115 -3.177 -11.013 17.571 788 HA TYR 115 HA TYR 115 -2.297 -13.371 15.991 789 1HB TYR 115 1HB TYR 115 -2.900 -12.080 14.217 790 2HB TYR 115 2HB TYR 115 -3.669 -11.044 15.412 791 HD1 TYR 115 HD1 TYR 115 -2.361 -9.082 16.360 792 HD2 TYR 115 HD2 TYR 115 -1.038 -11.340 12.956 793 HE1 TYR 115 HE1 TYR 115 -0.833 -7.235 15.732 794 HE2 TYR 115 HE2 TYR 115 0.493 -9.493 12.325 795 HH TYR 115 HH TYR 115 0.385 -6.391 13.926 796 H ASN 116 H ASN 116 -0.129 -13.543 15.206 797 HA ASN 116 HA ASN 116 2.216 -13.179 15.195 798 1HB ASN 116 1HB ASN 116 1.015 -10.652 15.573 799 2HB ASN 116 2HB ASN 116 2.274 -10.764 16.797 800 2HD2 ASN 116 2HD2 ASN 116 3.183 -8.965 15.231 801 1HD2 ASN 116 1HD2 ASN 116 4.171 -9.514 13.964 802 H ALA 117 H ALA 117 1.270 -14.935 17.069 803 HA ALA 117 HA ALA 117 1.986 -14.183 19.794 804 1HB ALA 117 1HB ALA 117 1.674 -16.681 20.114 805 2HB ALA 117 2HB ALA 117 0.300 -15.864 19.370 806 3HB ALA 117 3HB ALA 117 1.415 -16.800 18.375 807 H LYS 118 H LYS 118 3.688 -15.482 17.034 808 HA LYS 118 HA LYS 118 5.822 -16.903 18.091 809 1HB LYS 118 1HB LYS 118 7.125 -15.772 16.211 810 2HB LYS 118 2HB LYS 118 5.590 -16.496 15.728 811 1HG LYS 118 1HG LYS 118 5.002 -14.483 14.899 812 2HG LYS 118 2HG LYS 118 4.937 -13.894 16.561 813 1HD LYS 118 1HD LYS 118 6.441 -12.428 15.435 814 2HD LYS 118 2HD LYS 118 7.468 -13.522 16.360 815 1HE LYS 118 1HE LYS 118 8.198 -14.657 14.458 816 2HE LYS 118 2HE LYS 118 6.732 -14.263 13.539 817 H HIS 119 H HIS 119 5.126 -13.486 18.466 818 HA HIS 119 HA HIS 119 7.663 -12.507 19.283 819 1HB HIS 119 1HB HIS 119 4.788 -11.843 19.933 820 2HB HIS 119 2HB HIS 119 6.114 -10.909 20.625 821 HD1 HIS 119 HD1 HIS 119 7.980 -10.213 18.590 822 HD2 HIS 119 HD2 HIS 119 3.978 -10.738 17.536 823 HE1 HIS 119 HE1 HIS 119 7.659 -9.024 16.377 824 H LEU 120 H LEU 120 5.277 -14.462 20.978 825 HA LEU 120 HA LEU 120 5.956 -14.122 23.668 826 1HB LEU 120 1HB LEU 120 4.215 -15.622 22.546 827 2HB LEU 120 2HB LEU 120 5.514 -16.791 22.304 828 HG LEU 120 HG LEU 120 5.925 -16.860 24.727 829 1HD1 LEU 120 1HD1 LEU 120 4.102 -14.536 24.631 830 2HD1 LEU 120 2HD1 LEU 120 3.795 -15.664 25.952 831 3HD1 LEU 120 3HD1 LEU 120 5.383 -14.916 25.783 832 1HD2 LEU 120 1HD2 LEU 120 3.573 -17.769 23.392 833 2HD2 LEU 120 2HD2 LEU 120 4.370 -18.484 24.794 834 3HD2 LEU 120 3HD2 LEU 120 3.106 -17.275 25.020 835 H ASP 121 H ASP 121 7.818 -14.470 24.820 836 HA ASP 121 HA ASP 121 10.320 -15.078 23.692 837 1HB ASP 121 1HB ASP 121 11.011 -15.340 26.020 838 2HB ASP 121 2HB ASP 121 9.808 -14.055 25.922 839 H TYR 122 H TYR 122 7.750 -17.249 24.623 840 HA TYR 122 HA TYR 122 9.349 -19.643 24.923 841 1HB TYR 122 1HB TYR 122 6.872 -18.957 25.588 842 2HB TYR 122 2HB TYR 122 6.493 -19.649 24.009 843 HD1 TYR 122 HD1 TYR 122 7.419 -22.011 23.495 844 HD2 TYR 122 HD2 TYR 122 7.200 -20.355 27.452 845 HE1 TYR 122 HE1 TYR 122 7.579 -24.291 24.459 846 HE2 TYR 122 HE2 TYR 122 7.360 -22.633 28.415 847 HH TYR 122 HH TYR 122 8.028 -25.435 26.403 848 H LEU 123 H LEU 123 8.355 -17.814 22.181 849 HA LEU 123 HA LEU 123 8.903 -20.151 20.379 850 1HB LEU 123 1HB LEU 123 6.747 -18.319 20.580 851 2HB LEU 123 2HB LEU 123 7.615 -17.903 19.103 852 HG LEU 123 HG LEU 123 7.164 -20.801 19.603 853 1HD1 LEU 123 1HD1 LEU 123 5.008 -19.490 20.208 854 2HD1 LEU 123 2HD1 LEU 123 4.918 -19.126 18.484 855 3HD1 LEU 123 3HD1 LEU 123 4.872 -20.801 19.037 856 1HD2 LEU 123 1HD2 LEU 123 7.314 -18.884 17.298 857 2HD2 LEU 123 2HD2 LEU 123 8.196 -20.390 17.556 858 3HD2 LEU 123 3HD2 LEU 123 6.501 -20.432 17.071 859 H GLN 124 H GLN 124 9.784 -16.883 21.251 860 HA GLN 124 HA GLN 124 11.137 -15.989 18.942 861 1HB GLN 124 1HB GLN 124 11.429 -15.625 21.910 862 2HB GLN 124 2HB GLN 124 12.625 -14.900 20.836 863 1HG GLN 124 1HG GLN 124 10.524 -14.021 19.532 864 2HG GLN 124 2HG GLN 124 9.679 -14.328 21.051 865 2HE2 GLN 124 2HE2 GLN 124 10.230 -11.665 19.867 866 1HE2 GLN 124 1HE2 GLN 124 11.193 -10.833 20.991 867 H ASN 125 H ASN 125 12.047 -18.445 21.276 868 HA ASN 125 HA ASN 125 14.856 -18.578 20.730 869 1HB ASN 125 1HB ASN 125 12.813 -20.646 21.605 870 2HB ASN 125 2HB ASN 125 14.559 -20.884 21.690 871 2HD2 ASN 125 2HD2 ASN 125 15.321 -18.241 22.524 872 1HD2 ASN 125 1HD2 ASN 125 14.717 -17.982 24.089 873 H ARG 126 H ARG 126 12.099 -19.525 18.860 874 HA ARG 126 HA ARG 126 13.475 -21.558 17.263 875 1HB ARG 126 1HB ARG 126 10.821 -20.301 17.529 876 2HB ARG 126 2HB ARG 126 11.234 -20.757 15.876 877 1HG ARG 126 1HG ARG 126 12.067 -22.906 17.515 878 2HG ARG 126 2HG ARG 126 10.459 -22.454 18.080 879 1HD ARG 126 1HD ARG 126 9.450 -23.022 16.070 880 2HD ARG 126 2HD ARG 126 10.897 -22.635 15.119 881 HE ARG 126 HE ARG 126 10.667 -25.067 16.864 882 1HH1 ARG 126 1HH1 ARG 126 12.823 -23.334 14.986 883 2HH1 ARG 126 2HH1 ARG 126 13.290 -24.659 13.973 884 1HH2 ARG 126 1HH2 ARG 126 10.848 -26.798 15.195 885 2HH2 ARG 126 2HH2 ARG 126 12.172 -26.621 14.091 886 H VAL 127 H VAL 127 13.490 -18.156 17.339 887 HA VAL 127 HA VAL 127 13.739 -17.623 14.493 888 HB VAL 127 HB VAL 127 14.403 -16.122 17.040 889 1HG1 VAL 127 1HG1 VAL 127 14.897 -15.449 14.173 890 2HG1 VAL 127 2HG1 VAL 127 14.292 -14.163 15.218 891 3HG1 VAL 127 3HG1 VAL 127 15.807 -14.978 15.609 892 1HG2 VAL 127 1HG2 VAL 127 12.122 -16.168 15.072 893 2HG2 VAL 127 2HG2 VAL 127 12.066 -16.280 16.831 894 3HG2 VAL 127 3HG2 VAL 127 12.424 -14.736 16.057 895 H ILE 128 H ILE 128 15.737 -17.005 13.410 896 HA ILE 128 HA ILE 128 18.176 -18.245 14.644 897 HB ILE 128 HB ILE 128 18.812 -18.613 12.238 898 1HG1 ILE 128 1HG1 ILE 128 15.987 -18.019 11.464 899 2HG1 ILE 128 2HG1 ILE 128 17.099 -16.660 11.625 900 1HG2 ILE 128 1HG2 ILE 128 16.392 -19.761 13.549 901 2HG2 ILE 128 2HG2 ILE 128 16.659 -20.169 11.854 902 3HG2 ILE 128 3HG2 ILE 128 17.888 -20.557 13.058 903 1HD1 ILE 128 1HD1 ILE 128 18.706 -18.006 10.144 904 2HD1 ILE 128 2HD1 ILE 128 17.331 -19.052 9.791 905 3HD1 ILE 128 3HD1 ILE 128 17.278 -17.345 9.351 No H/Q in entry = 905 Start of MODEL 10 1 H2 PRO 1 H2 PRO 1 -19.929 -14.242 13.582 2 H3 PRO 1 H3 PRO 1 -20.193 -15.924 13.580 3 HA PRO 1 HA PRO 1 -18.193 -16.189 12.676 4 1HB PRO 1 1HB PRO 1 -18.303 -15.020 10.203 5 2HB PRO 1 2HB PRO 1 -19.157 -16.523 10.602 6 1HG PRO 1 1HG PRO 1 -20.191 -13.733 10.440 7 2HG PRO 1 2HG PRO 1 -20.946 -15.246 9.921 8 1HD PRO 1 1HD PRO 1 -21.590 -13.957 12.235 9 2HD PRO 1 2HD PRO 1 -21.741 -15.713 12.019 10 H THR 2 H THR 2 -17.859 -14.218 14.474 11 HA THR 2 HA THR 2 -16.231 -12.147 13.034 12 HB THR 2 HB THR 2 -17.437 -11.558 15.693 13 HG1 THR 2 HG1 THR 2 -18.979 -11.487 13.323 14 1HG2 THR 2 1HG2 THR 2 -16.546 -10.164 13.252 15 2HG2 THR 2 2HG2 THR 2 -18.009 -9.501 13.981 16 3HG2 THR 2 3HG2 THR 2 -16.527 -9.622 14.930 17 H VAL 3 H VAL 3 -14.150 -11.882 13.830 18 HA VAL 3 HA VAL 3 -13.460 -13.222 16.421 19 HB VAL 3 HB VAL 3 -12.062 -13.365 13.731 20 1HG1 VAL 3 1HG1 VAL 3 -10.806 -13.294 16.180 21 2HG1 VAL 3 2HG1 VAL 3 -11.065 -15.024 15.951 22 3HG1 VAL 3 3HG1 VAL 3 -10.166 -14.099 14.747 23 1HG2 VAL 3 1HG2 VAL 3 -13.825 -15.145 15.314 24 2HG2 VAL 3 2HG2 VAL 3 -13.565 -15.078 13.571 25 3HG2 VAL 3 3HG2 VAL 3 -12.408 -15.917 14.603 26 H GLU 4 H GLU 4 -12.467 -11.756 17.757 27 HA GLU 4 HA GLU 4 -11.572 -9.161 16.713 28 1HB GLU 4 1HB GLU 4 -12.739 -10.004 18.997 29 2HB GLU 4 2HB GLU 4 -11.053 -10.036 19.512 30 1HG GLU 4 1HG GLU 4 -11.048 -7.795 19.715 31 2HG GLU 4 2HG GLU 4 -11.517 -7.625 18.023 32 H TYR 5 H TYR 5 -9.478 -8.715 16.127 33 HA TYR 5 HA TYR 5 -7.365 -10.703 16.847 34 1HB TYR 5 1HB TYR 5 -6.188 -9.709 14.920 35 2HB TYR 5 2HB TYR 5 -7.817 -10.207 14.462 36 HD1 TYR 5 HD1 TYR 5 -5.656 -7.314 15.280 37 HD2 TYR 5 HD2 TYR 5 -9.512 -8.588 13.879 38 HE1 TYR 5 HE1 TYR 5 -6.159 -4.996 14.554 39 HE2 TYR 5 HE2 TYR 5 -10.014 -6.270 13.155 40 HH TYR 5 HH TYR 5 -7.582 -3.804 13.077 41 H LEU 6 H LEU 6 -5.752 -10.109 18.242 42 HA LEU 6 HA LEU 6 -5.401 -7.193 18.862 43 1HB LEU 6 1HB LEU 6 -6.704 -8.403 20.583 44 2HB LEU 6 2HB LEU 6 -5.412 -9.591 20.731 45 HG LEU 6 HG LEU 6 -3.997 -8.110 21.838 46 1HD1 LEU 6 1HD1 LEU 6 -5.602 -5.871 20.572 47 2HD1 LEU 6 2HD1 LEU 6 -4.329 -5.612 21.764 48 3HD1 LEU 6 3HD1 LEU 6 -3.939 -6.326 20.198 49 1HD2 LEU 6 1HD2 LEU 6 -6.847 -7.377 22.489 50 2HD2 LEU 6 2HD2 LEU 6 -5.763 -8.454 23.371 51 3HD2 LEU 6 3HD2 LEU 6 -5.488 -6.712 23.398 52 H ASN 7 H ASN 7 -3.346 -6.647 18.232 53 HA ASN 7 HA ASN 7 -1.279 -8.421 17.500 54 1HB ASN 7 1HB ASN 7 -1.526 -5.961 17.018 55 2HB ASN 7 2HB ASN 7 -0.992 -5.640 18.668 56 2HD2 ASN 7 2HD2 ASN 7 1.034 -4.646 17.989 57 1HD2 ASN 7 1HD2 ASN 7 2.284 -5.557 17.291 58 H TYR 8 H TYR 8 -0.041 -9.764 18.723 59 HA TYR 8 HA TYR 8 -0.153 -9.923 21.569 60 1HB TYR 8 1HB TYR 8 0.545 -11.821 20.330 61 2HB TYR 8 2HB TYR 8 1.725 -10.891 19.409 62 HD1 TYR 8 HD1 TYR 8 1.000 -12.515 22.637 63 HD2 TYR 8 HD2 TYR 8 3.889 -10.297 20.361 64 HE1 TYR 8 HE1 TYR 8 2.749 -13.088 24.300 65 HE2 TYR 8 HE2 TYR 8 5.638 -10.868 22.024 66 HH TYR 8 HH TYR 8 5.180 -11.745 24.945 67 H GLU 9 H GLU 9 2.039 -8.181 19.389 68 HA GLU 9 HA GLU 9 4.006 -7.420 21.324 69 1HB GLU 9 1HB GLU 9 3.871 -7.266 18.705 70 2HB GLU 9 2HB GLU 9 3.146 -5.688 19.016 71 1HG GLU 9 1HG GLU 9 5.152 -4.794 19.529 72 2HG GLU 9 2HG GLU 9 5.494 -6.090 20.675 73 H THR 10 H THR 10 0.878 -6.013 20.418 74 HA THR 10 HA THR 10 1.084 -3.506 21.739 75 HB THR 10 HB THR 10 -1.163 -5.432 21.118 76 HG1 THR 10 HG1 THR 10 0.147 -3.898 19.638 77 1HG2 THR 10 1HG2 THR 10 -1.311 -2.729 22.467 78 2HG2 THR 10 2HG2 THR 10 -2.684 -3.465 21.640 79 3HG2 THR 10 3HG2 THR 10 -1.972 -4.260 23.044 80 H LEU 11 H LEU 11 0.194 -6.723 22.952 81 HA LEU 11 HA LEU 11 -0.557 -5.923 25.607 82 1HB LEU 11 1HB LEU 11 -1.222 -8.065 24.896 83 2HB LEU 11 2HB LEU 11 0.363 -8.434 24.219 84 HG LEU 11 HG LEU 11 1.298 -8.489 26.533 85 1HD1 LEU 11 1HD1 LEU 11 -1.620 -8.146 27.294 86 2HD1 LEU 11 2HD1 LEU 11 -0.332 -8.577 28.420 87 3HD1 LEU 11 3HD1 LEU 11 -0.314 -7.005 27.619 88 1HD2 LEU 11 1HD2 LEU 11 0.398 -10.537 25.347 89 2HD2 LEU 11 2HD2 LEU 11 0.393 -10.651 27.108 90 3HD2 LEU 11 3HD2 LEU 11 -1.105 -10.313 26.241 91 H ASP 12 H ASP 12 2.540 -6.986 24.185 92 HA ASP 12 HA ASP 12 3.998 -6.762 26.710 93 1HB ASP 12 1HB ASP 12 4.496 -7.447 23.853 94 2HB ASP 12 2HB ASP 12 5.888 -6.896 24.785 95 H ASP 13 H ASP 13 4.140 -4.952 23.608 96 HA ASP 13 HA ASP 13 5.920 -2.930 24.220 97 1HB ASP 13 1HB ASP 13 4.396 -3.409 22.159 98 2HB ASP 13 2HB ASP 13 3.246 -2.335 22.955 99 H GLN 14 H GLN 14 2.389 -2.535 24.731 100 HA GLN 14 HA GLN 14 2.648 -0.217 26.404 101 1HB GLN 14 1HB GLN 14 0.654 -1.194 25.072 102 2HB GLN 14 2HB GLN 14 0.396 -2.230 26.475 103 1HG GLN 14 1HG GLN 14 -0.809 -0.508 27.322 104 2HG GLN 14 2HG GLN 14 0.747 0.273 27.610 105 2HE2 GLN 14 2HE2 GLN 14 -1.658 -0.147 24.945 106 1HE2 GLN 14 1HE2 GLN 14 -1.434 1.408 24.303 107 H GLY 15 H GLY 15 2.934 -3.633 27.053 108 1HA GLY 15 1HA GLY 15 3.773 -3.089 29.795 109 2HA GLY 15 2HA GLY 15 3.705 -4.677 29.030 110 H TRP 16 H TRP 16 1.000 -4.729 28.255 111 HA TRP 16 HA TRP 16 -0.558 -4.250 30.747 112 1HB TRP 16 1HB TRP 16 -1.026 -4.347 27.866 113 2HB TRP 16 2HB TRP 16 -2.224 -5.276 28.768 114 HD1 TRP 16 HD1 TRP 16 -2.436 -2.262 27.318 115 HE1 TRP 16 HE1 TRP 16 -3.507 -0.392 28.734 116 HE3 TRP 16 HE3 TRP 16 -1.937 -4.291 31.979 117 HZ2 TRP 16 HZ2 TRP 16 -4.076 0.167 31.480 118 HZ3 TRP 16 HZ3 TRP 16 -2.752 -3.069 33.974 119 HH2 TRP 16 HH2 TRP 16 -3.821 -0.846 33.731 120 H ASP 17 H ASP 17 -2.487 -6.203 30.445 121 HA ASP 17 HA ASP 17 -0.932 -8.693 31.046 122 1HB ASP 17 1HB ASP 17 -3.245 -7.276 32.181 123 2HB ASP 17 2HB ASP 17 -3.509 -9.010 32.004 124 H MET 18 H MET 18 -2.150 -10.755 30.467 125 HA MET 18 HA MET 18 -2.956 -10.693 27.673 126 1HB MET 18 1HB MET 18 -1.860 -12.502 29.417 127 2HB MET 18 2HB MET 18 -3.524 -13.080 29.325 128 1HG MET 18 1HG MET 18 -2.583 -12.364 26.688 129 2HG MET 18 2HG MET 18 -1.463 -13.501 27.438 130 1HE MET 18 1HE MET 18 -4.142 -12.716 25.590 131 2HE MET 18 2HE MET 18 -4.783 -14.265 25.048 132 3HE MET 18 3HE MET 18 -5.607 -13.377 26.328 133 H ASP 19 H ASP 19 -4.679 -11.729 30.643 134 HA ASP 19 HA ASP 19 -7.241 -10.896 29.319 135 1HB ASP 19 1HB ASP 19 -7.177 -13.279 29.334 136 2HB ASP 19 2HB ASP 19 -6.487 -13.325 30.956 137 H ASP 20 H ASP 20 -5.127 -10.251 31.813 138 HA ASP 20 HA ASP 20 -7.005 -9.848 34.003 139 1HB ASP 20 1HB ASP 20 -4.327 -10.130 33.766 140 2HB ASP 20 2HB ASP 20 -4.424 -8.372 33.843 141 H ASP 21 H ASP 21 -5.109 -7.507 32.049 142 HA ASP 21 HA ASP 21 -6.854 -5.297 32.840 143 1HB ASP 21 1HB ASP 21 -4.394 -5.142 32.423 144 2HB ASP 21 2HB ASP 21 -4.689 -5.505 30.723 145 H ASP 22 H ASP 22 -7.394 -7.793 30.787 146 HA ASP 22 HA ASP 22 -8.779 -8.101 28.897 147 1HB ASP 22 1HB ASP 22 -9.847 -6.004 30.662 148 2HB ASP 22 2HB ASP 22 -10.482 -5.927 29.019 149 H LEU 23 H LEU 23 -6.384 -7.005 28.126 150 HA LEU 23 HA LEU 23 -6.186 -4.541 26.879 151 1HB LEU 23 1HB LEU 23 -4.661 -6.686 26.972 152 2HB LEU 23 2HB LEU 23 -5.404 -7.053 25.416 153 HG LEU 23 HG LEU 23 -4.629 -4.953 24.483 154 1HD1 LEU 23 1HD1 LEU 23 -4.248 -4.311 27.340 155 2HD1 LEU 23 2HD1 LEU 23 -2.942 -3.765 26.287 156 3HD1 LEU 23 3HD1 LEU 23 -4.599 -3.241 25.982 157 1HD2 LEU 23 1HD2 LEU 23 -3.009 -6.824 24.533 158 2HD2 LEU 23 2HD2 LEU 23 -2.191 -5.267 24.664 159 3HD2 LEU 23 3HD2 LEU 23 -2.421 -6.265 26.100 160 H PHE 24 H PHE 24 -7.597 -7.468 25.350 161 HA PHE 24 HA PHE 24 -8.431 -6.478 22.900 162 1HB PHE 24 1HB PHE 24 -9.375 -8.470 24.883 163 2HB PHE 24 2HB PHE 24 -10.574 -7.985 23.685 164 HD1 PHE 24 HD1 PHE 24 -10.175 -8.340 21.281 165 HD2 PHE 24 HD2 PHE 24 -7.377 -9.685 24.249 166 HE1 PHE 24 HE1 PHE 24 -9.075 -9.780 19.591 167 HE2 PHE 24 HE2 PHE 24 -6.278 -11.126 22.559 168 HZ PHE 24 HZ PHE 24 -7.130 -11.172 20.232 169 H GLU 25 H GLU 25 -9.721 -5.775 26.078 170 HA GLU 25 HA GLU 25 -12.004 -4.236 24.958 171 1HB GLU 25 1HB GLU 25 -11.639 -5.817 27.170 172 2HB GLU 25 2HB GLU 25 -11.420 -4.208 27.857 173 1HG GLU 25 1HG GLU 25 -13.655 -4.146 26.055 174 2HG GLU 25 2HG GLU 25 -13.865 -5.493 27.174 175 H LYS 26 H LYS 26 -9.134 -3.698 27.028 176 HA LYS 26 HA LYS 26 -9.471 -0.828 27.174 177 1HB LYS 26 1HB LYS 26 -7.197 -2.770 27.658 178 2HB LYS 26 2HB LYS 26 -7.046 -1.041 27.970 179 1HG LYS 26 1HG LYS 26 -9.362 -2.584 29.116 180 2HG LYS 26 2HG LYS 26 -7.793 -2.614 29.922 181 1HD LYS 26 1HD LYS 26 -7.819 -0.286 30.314 182 2HD LYS 26 2HD LYS 26 -9.069 -0.007 29.102 183 1HE LYS 26 1HE LYS 26 -10.500 0.000 30.888 184 2HE LYS 26 2HE LYS 26 -10.311 -1.763 30.851 185 1HZ LYS 26 1HZ LYS 26 -8.278 -1.457 32.222 186 2HZ LYS 26 2HZ LYS 26 -8.665 0.189 32.378 187 3HZ LYS 26 3HZ LYS 26 -9.701 -0.993 33.023 188 H ALA 27 H ALA 27 -8.376 -2.928 24.702 189 HA ALA 27 HA ALA 27 -6.441 -1.155 23.445 190 1HB ALA 27 1HB ALA 27 -8.062 -3.548 22.520 191 2HB ALA 27 2HB ALA 27 -6.792 -2.798 21.553 192 3HB ALA 27 3HB ALA 27 -6.396 -3.557 23.096 193 H ALA 28 H ALA 28 -9.875 -1.273 23.597 194 HA ALA 28 HA ALA 28 -10.371 0.050 21.025 195 1HB ALA 28 1HB ALA 28 -12.005 -1.472 21.961 196 2HB ALA 28 2HB ALA 28 -12.028 -0.585 23.484 197 3HB ALA 28 3HB ALA 28 -12.699 0.147 22.027 198 H ASP 29 H ASP 29 -9.710 0.995 24.319 199 HA ASP 29 HA ASP 29 -10.726 3.738 23.986 200 1HB ASP 29 1HB ASP 29 -9.915 1.933 26.075 201 2HB ASP 29 2HB ASP 29 -9.018 3.441 26.243 202 H ALA 30 H ALA 30 -7.690 2.004 23.691 203 HA ALA 30 HA ALA 30 -6.022 4.415 23.681 204 1HB ALA 30 1HB ALA 30 -4.343 2.607 22.876 205 2HB ALA 30 2HB ALA 30 -5.024 2.422 24.492 206 3HB ALA 30 3HB ALA 30 -5.657 1.464 23.153 207 H GLY 31 H GLY 31 -7.401 2.197 21.282 208 1HA GLY 31 1HA GLY 31 -7.258 4.237 19.210 209 2HA GLY 31 2HA GLY 31 -7.840 2.587 18.996 210 H LEU 32 H LEU 32 -5.686 1.050 19.668 211 HA LEU 32 HA LEU 32 -3.162 1.958 18.599 212 1HB LEU 32 1HB LEU 32 -4.459 -0.618 19.418 213 2HB LEU 32 2HB LEU 32 -2.949 -0.696 18.511 214 HG LEU 32 HG LEU 32 -2.470 1.281 20.411 215 1HD1 LEU 32 1HD1 LEU 32 -4.702 0.008 21.352 216 2HD1 LEU 32 2HD1 LEU 32 -3.423 -0.954 22.092 217 3HD1 LEU 32 3HD1 LEU 32 -3.500 0.785 22.382 218 1HD2 LEU 32 1HD2 LEU 32 -1.163 -0.839 19.525 219 2HD2 LEU 32 2HD2 LEU 32 -0.777 -0.157 21.104 220 3HD2 LEU 32 3HD2 LEU 32 -1.804 -1.585 20.988 221 H ASP 33 H ASP 33 -2.159 0.885 16.612 222 HA ASP 33 HA ASP 33 -3.436 1.493 14.225 223 1HB ASP 33 1HB ASP 33 -1.060 0.393 15.016 224 2HB ASP 33 2HB ASP 33 -1.807 -0.979 14.197 225 H GLY 34 H GLY 34 -5.232 0.679 13.219 226 1HA GLY 34 1HA GLY 34 -6.900 -0.837 12.563 227 2HA GLY 34 2HA GLY 34 -6.843 -1.396 14.235 228 H GLU 35 H GLU 35 -3.914 -1.582 12.408 229 HA GLU 35 HA GLU 35 -4.323 -4.259 11.334 230 1HB GLU 35 1HB GLU 35 -2.638 -2.156 10.883 231 2HB GLU 35 2HB GLU 35 -1.590 -3.221 11.819 232 1HG GLU 35 1HG GLU 35 -2.419 -5.091 10.219 233 2HG GLU 35 2HG GLU 35 -2.956 -3.765 9.186 234 H ASP 36 H ASP 36 -3.613 -3.034 14.443 235 HA ASP 36 HA ASP 36 -2.288 -5.581 15.291 236 1HB ASP 36 1HB ASP 36 -2.521 -2.798 16.477 237 2HB ASP 36 2HB ASP 36 -1.774 -4.148 17.331 238 H TYR 37 H TYR 37 -4.882 -3.307 16.272 239 HA TYR 37 HA TYR 37 -6.220 -5.612 17.657 240 1HB TYR 37 1HB TYR 37 -5.356 -4.184 19.350 241 2HB TYR 37 2HB TYR 37 -5.789 -2.729 18.451 242 HD1 TYR 37 HD1 TYR 37 -7.375 -5.775 19.971 243 HD2 TYR 37 HD2 TYR 37 -7.770 -1.612 18.984 244 HE1 TYR 37 HE1 TYR 37 -9.571 -5.708 21.123 245 HE2 TYR 37 HE2 TYR 37 -9.965 -1.547 20.135 246 HH TYR 37 HH TYR 37 -11.293 -4.453 21.724 247 H GLY 38 H GLY 38 -8.502 -5.687 17.431 248 1HA GLY 38 1HA GLY 38 -9.569 -4.184 15.134 249 2HA GLY 38 2HA GLY 38 -10.362 -3.866 16.676 250 H THR 39 H THR 39 -12.158 -4.848 15.164 251 HA THR 39 HA THR 39 -12.448 -7.693 15.961 252 HB THR 39 HB THR 39 -14.411 -5.783 14.658 253 HG1 THR 39 HG1 THR 39 -14.619 -4.885 16.532 254 1HG2 THR 39 1HG2 THR 39 -14.530 -8.518 15.787 255 2HG2 THR 39 2HG2 THR 39 -15.845 -7.441 16.259 256 3HG2 THR 39 3HG2 THR 39 -15.538 -7.764 14.552 257 H MET 40 H MET 40 -12.133 -9.306 14.480 258 HA MET 40 HA MET 40 -11.724 -8.596 11.633 259 1HB MET 40 1HB MET 40 -10.346 -10.172 13.261 260 2HB MET 40 2HB MET 40 -11.553 -11.365 12.781 261 1HG MET 40 1HG MET 40 -10.322 -9.752 10.601 262 2HG MET 40 2HG MET 40 -9.292 -10.955 11.376 263 1HE MET 40 1HE MET 40 -8.933 -12.753 10.781 264 2HE MET 40 2HE MET 40 -10.141 -14.015 11.009 265 3HE MET 40 3HE MET 40 -9.588 -13.601 9.381 266 H GLU 41 H GLU 41 -12.800 -10.047 9.971 267 HA GLU 41 HA GLU 41 -15.439 -11.113 10.895 268 1HB GLU 41 1HB GLU 41 -15.427 -8.701 9.978 269 2HB GLU 41 2HB GLU 41 -15.079 -9.431 8.410 270 1HG GLU 41 1HG GLU 41 -17.121 -10.960 8.925 271 2HG GLU 41 2HG GLU 41 -17.535 -9.741 10.131 272 H VAL 42 H VAL 42 -15.407 -13.235 10.286 273 HA VAL 42 HA VAL 42 -14.816 -13.930 7.479 274 HB VAL 42 HB VAL 42 -12.605 -13.940 8.487 275 1HG1 VAL 42 1HG1 VAL 42 -13.667 -14.214 10.850 276 2HG1 VAL 42 2HG1 VAL 42 -13.543 -15.944 10.531 277 3HG1 VAL 42 3HG1 VAL 42 -12.090 -14.944 10.550 278 1HG2 VAL 42 1HG2 VAL 42 -13.718 -16.757 8.312 279 2HG2 VAL 42 2HG2 VAL 42 -13.112 -15.804 6.957 280 3HG2 VAL 42 3HG2 VAL 42 -12.010 -16.328 8.230 281 H ALA 43 H ALA 43 -15.911 -15.828 6.889 282 HA ALA 43 HA ALA 43 -17.949 -16.824 8.718 283 1HB ALA 43 1HB ALA 43 -18.815 -17.736 6.778 284 2HB ALA 43 2HB ALA 43 -17.742 -16.538 6.054 285 3HB ALA 43 3HB ALA 43 -17.229 -18.220 6.179 286 H GLU 44 H GLU 44 -18.114 -19.053 9.448 287 HA GLU 44 HA GLU 44 -15.675 -20.190 10.446 288 1HB GLU 44 1HB GLU 44 -17.203 -22.029 11.113 289 2HB GLU 44 2HB GLU 44 -17.912 -20.452 11.462 290 1HG GLU 44 1HG GLU 44 -19.695 -21.037 10.218 291 2HG GLU 44 2HG GLU 44 -18.644 -21.071 8.802 292 H GLY 45 H GLY 45 -14.176 -21.216 9.204 293 1HA GLY 45 1HA GLY 45 -15.131 -22.753 6.820 294 2HA GLY 45 2HA GLY 45 -13.887 -23.392 7.898 295 H GLU 46 H GLU 46 -13.715 -20.017 7.536 296 HA GLU 46 HA GLU 46 -11.785 -20.196 5.265 297 1HB GLU 46 1HB GLU 46 -13.229 -17.916 6.654 298 2HB GLU 46 2HB GLU 46 -12.084 -17.689 5.331 299 1HG GLU 46 1HG GLU 46 -13.483 -18.752 3.771 300 2HG GLU 46 2HG GLU 46 -14.403 -19.586 5.024 301 H TYR 47 H TYR 47 -9.676 -20.426 5.895 302 HA TYR 47 HA TYR 47 -8.548 -20.311 8.413 303 1HB TYR 47 1HB TYR 47 -7.337 -19.292 5.822 304 2HB TYR 47 2HB TYR 47 -6.440 -19.897 7.216 305 HD1 TYR 47 HD1 TYR 47 -8.599 -22.092 7.847 306 HD2 TYR 47 HD2 TYR 47 -6.428 -20.997 4.304 307 HE1 TYR 47 HE1 TYR 47 -8.828 -24.406 6.992 308 HE2 TYR 47 HE2 TYR 47 -6.659 -23.314 3.449 309 HH TYR 47 HH TYR 47 -8.657 -25.328 4.118 310 H ILE 48 H ILE 48 -8.306 -18.709 9.918 311 HA ILE 48 HA ILE 48 -9.265 -16.070 9.668 312 HB ILE 48 HB ILE 48 -7.037 -17.186 11.404 313 1HG1 ILE 48 1HG1 ILE 48 -9.812 -16.828 12.405 314 2HG1 ILE 48 2HG1 ILE 48 -9.559 -18.147 11.260 315 1HG2 ILE 48 1HG2 ILE 48 -7.973 -14.542 11.141 316 2HG2 ILE 48 2HG2 ILE 48 -8.730 -15.166 12.607 317 3HG2 ILE 48 3HG2 ILE 48 -6.975 -15.187 12.443 318 1HD1 ILE 48 1HD1 ILE 48 -7.702 -18.992 12.675 319 2HD1 ILE 48 2HD1 ILE 48 -8.009 -17.696 13.831 320 3HD1 ILE 48 3HD1 ILE 48 -9.225 -18.944 13.561 321 H LEU 49 H LEU 49 -5.946 -17.301 9.197 322 HA LEU 49 HA LEU 49 -4.576 -14.872 8.802 323 1HB LEU 49 1HB LEU 49 -3.344 -16.884 8.938 324 2HB LEU 49 2HB LEU 49 -4.334 -17.676 7.712 325 HG LEU 49 HG LEU 49 -2.928 -15.228 6.814 326 1HD1 LEU 49 1HD1 LEU 49 -1.237 -16.308 8.299 327 2HD1 LEU 49 2HD1 LEU 49 -1.405 -17.794 7.364 328 3HD1 LEU 49 3HD1 LEU 49 -0.763 -16.340 6.601 329 1HD2 LEU 49 1HD2 LEU 49 -4.319 -16.882 5.435 330 2HD2 LEU 49 2HD2 LEU 49 -2.728 -16.478 4.790 331 3HD2 LEU 49 3HD2 LEU 49 -2.977 -18.010 5.627 332 H GLU 50 H GLU 50 -6.466 -16.790 6.458 333 HA GLU 50 HA GLU 50 -5.873 -15.021 4.222 334 1HB GLU 50 1HB GLU 50 -6.993 -17.567 4.710 335 2HB GLU 50 2HB GLU 50 -8.264 -16.621 3.933 336 1HG GLU 50 1HG GLU 50 -7.060 -16.356 1.978 337 2HG GLU 50 2HG GLU 50 -5.503 -16.433 2.803 338 H ALA 51 H ALA 51 -8.751 -15.530 6.303 339 HA ALA 51 HA ALA 51 -10.404 -13.570 5.044 340 1HB ALA 51 1HB ALA 51 -10.574 -15.452 7.069 341 2HB ALA 51 2HB ALA 51 -10.761 -13.926 7.932 342 3HB ALA 51 3HB ALA 51 -11.858 -14.333 6.612 343 H ALA 52 H ALA 52 -8.266 -13.335 7.876 344 HA ALA 52 HA ALA 52 -8.808 -10.529 8.353 345 1HB ALA 52 1HB ALA 52 -7.728 -11.095 10.249 346 2HB ALA 52 2HB ALA 52 -7.468 -12.702 9.568 347 3HB ALA 52 3HB ALA 52 -6.255 -11.442 9.342 348 H GLU 53 H GLU 53 -6.472 -12.298 6.401 349 HA GLU 53 HA GLU 53 -4.624 -10.146 5.947 350 1HB GLU 53 1HB GLU 53 -4.088 -12.473 5.492 351 2HB GLU 53 2HB GLU 53 -5.415 -12.591 4.336 352 1HG GLU 53 1HG GLU 53 -3.652 -10.365 3.701 353 2HG GLU 53 2HG GLU 53 -2.763 -11.887 3.765 354 H ALA 54 H ALA 54 -7.651 -11.097 4.407 355 HA ALA 54 HA ALA 54 -7.417 -9.236 2.175 356 1HB ALA 54 1HB ALA 54 -8.923 -10.842 1.591 357 2HB ALA 54 2HB ALA 54 -9.273 -11.237 3.274 358 3HB ALA 54 3HB ALA 54 -10.090 -9.880 2.499 359 H GLN 55 H GLN 55 -8.138 -8.892 5.486 360 HA GLN 55 HA GLN 55 -9.860 -6.499 5.095 361 1HB GLN 55 1HB GLN 55 -9.035 -8.296 7.368 362 2HB GLN 55 2HB GLN 55 -9.743 -6.717 7.709 363 1HG GLN 55 1HG GLN 55 -11.190 -8.265 5.661 364 2HG GLN 55 2HG GLN 55 -11.192 -9.008 7.260 365 2HE2 GLN 55 2HE2 GLN 55 -13.325 -8.467 7.939 366 1HE2 GLN 55 1HE2 GLN 55 -13.880 -6.869 8.091 367 H GLY 56 H GLY 56 -6.560 -7.304 5.508 368 1HA GLY 56 1HA GLY 56 -5.974 -4.486 6.330 369 2HA GLY 56 2HA GLY 56 -4.958 -5.406 5.219 370 H TYR 57 H TYR 57 -5.301 -7.880 6.869 371 HA TYR 57 HA TYR 57 -3.639 -7.106 9.244 372 1HB TYR 57 1HB TYR 57 -5.455 -9.485 8.718 373 2HB TYR 57 2HB TYR 57 -4.558 -9.209 10.212 374 HD1 TYR 57 HD1 TYR 57 -4.856 -6.223 10.411 375 HD2 TYR 57 HD2 TYR 57 -7.700 -9.296 9.456 376 HE1 TYR 57 HE1 TYR 57 -6.695 -4.781 11.245 377 HE2 TYR 57 HE2 TYR 57 -9.538 -7.857 10.288 378 HH TYR 57 HH TYR 57 -9.539 -4.853 10.565 379 H ASP 58 H ASP 58 -1.724 -8.311 9.621 380 HA ASP 58 HA ASP 58 -0.884 -10.134 7.389 381 1HB ASP 58 1HB ASP 58 1.416 -9.268 7.943 382 2HB ASP 58 2HB ASP 58 0.313 -8.012 7.379 383 H TRP 59 H TRP 59 -0.182 -12.166 8.024 384 HA TRP 59 HA TRP 59 0.256 -12.614 10.960 385 1HB TRP 59 1HB TRP 59 -1.105 -14.476 8.990 386 2HB TRP 59 2HB TRP 59 -1.024 -14.662 10.741 387 HD1 TRP 59 HD1 TRP 59 -2.285 -11.989 8.235 388 HE1 TRP 59 HE1 TRP 59 -4.458 -10.980 9.174 389 HE3 TRP 59 HE3 TRP 59 -2.620 -14.553 12.638 390 HZ2 TRP 59 HZ2 TRP 59 -6.117 -11.219 11.487 391 HZ3 TRP 59 HZ3 TRP 59 -4.510 -14.143 14.189 392 HH2 TRP 59 HH2 TRP 59 -6.259 -12.479 13.617 393 HA PRO 60 HA PRO 60 3.993 -14.525 9.640 394 1HB PRO 60 1HB PRO 60 4.491 -16.029 11.871 395 2HB PRO 60 2HB PRO 60 4.717 -14.271 11.823 396 1HG PRO 60 1HG PRO 60 2.476 -15.869 12.962 397 2HG PRO 60 2HG PRO 60 3.231 -14.391 13.574 398 1HD PRO 60 1HD PRO 60 0.838 -14.455 12.240 399 2HD PRO 60 2HD PRO 60 1.911 -13.041 12.283 400 H PHE 61 H PHE 61 4.362 -16.355 8.409 401 HA PHE 61 HA PHE 61 3.156 -18.942 9.132 402 1HB PHE 61 1HB PHE 61 1.972 -19.029 6.886 403 2HB PHE 61 2HB PHE 61 1.288 -17.879 8.033 404 HD1 PHE 61 HD1 PHE 61 3.837 -18.086 5.288 405 HD2 PHE 61 HD2 PHE 61 0.973 -15.656 7.373 406 HE1 PHE 61 HE1 PHE 61 4.217 -16.247 3.668 407 HE2 PHE 61 HE2 PHE 61 1.353 -13.817 5.754 408 HZ PHE 61 HZ PHE 61 2.976 -14.112 3.901 409 H SER 62 H SER 62 4.121 -20.672 7.939 410 HA SER 62 HA SER 62 6.246 -19.960 5.976 411 1HB SER 62 1HB SER 62 6.878 -21.950 8.105 412 2HB SER 62 2HB SER 62 7.932 -20.770 7.325 413 HG SER 62 HG SER 62 5.955 -20.279 9.294 414 H CYS 63 H CYS 63 4.967 -22.791 7.772 415 HA CYS 63 HA CYS 63 5.345 -24.541 5.479 416 1HB CYS 63 1HB CYS 63 4.896 -26.203 7.037 417 2HB CYS 63 2HB CYS 63 5.413 -24.898 8.097 418 H ARG 64 H ARG 64 2.527 -22.933 6.964 419 HA ARG 64 HA ARG 64 0.345 -22.593 6.118 420 1HB ARG 64 1HB ARG 64 1.707 -23.287 3.503 421 2HB ARG 64 2HB ARG 64 0.284 -22.268 3.724 422 1HG ARG 64 1HG ARG 64 1.621 -20.634 4.979 423 2HG ARG 64 2HG ARG 64 3.043 -21.668 4.839 424 1HD ARG 64 1HD ARG 64 3.033 -19.840 3.127 425 2HD ARG 64 2HD ARG 64 2.972 -21.446 2.376 426 HE ARG 64 HE ARG 64 0.312 -20.449 2.960 427 1HH1 ARG 64 1HH1 ARG 64 2.093 -21.640 0.494 428 2HH1 ARG 64 2HH1 ARG 64 1.527 -20.554 -0.730 429 1HH2 ARG 64 1HH2 ARG 64 -0.046 -18.427 1.508 430 2HH2 ARG 64 2HH2 ARG 64 0.315 -18.735 -0.157 431 H ALA 65 H ALA 65 1.141 -25.376 6.886 432 HA ALA 65 HA ALA 65 -0.990 -26.819 5.391 433 1HB ALA 65 1HB ALA 65 0.515 -28.758 5.237 434 2HB ALA 65 2HB ALA 65 1.770 -27.867 6.097 435 3HB ALA 65 3HB ALA 65 1.268 -27.351 4.487 436 H GLY 66 H GLY 66 0.079 -25.745 8.336 437 1HA GLY 66 1HA GLY 66 -1.660 -27.593 9.784 438 2HA GLY 66 2HA GLY 66 -0.788 -26.231 10.483 439 H ALA 67 H ALA 67 1.848 -27.002 9.577 440 HA ALA 67 HA ALA 67 2.250 -29.464 11.245 441 1HB ALA 67 1HB ALA 67 2.495 -29.417 8.595 442 2HB ALA 67 2HB ALA 67 3.616 -30.343 9.593 443 3HB ALA 67 3HB ALA 67 4.080 -28.753 8.988 444 H CYS 68 H CYS 68 2.713 -26.243 11.389 445 HA CYS 68 HA CYS 68 5.194 -26.580 12.984 446 1HB CYS 68 1HB CYS 68 6.486 -25.172 11.679 447 2HB CYS 68 2HB CYS 68 5.466 -25.877 10.431 448 H ALA 69 H ALA 69 5.680 -24.088 13.870 449 HA ALA 69 HA ALA 69 3.025 -23.127 14.901 450 1HB ALA 69 1HB ALA 69 5.293 -24.266 16.204 451 2HB ALA 69 2HB ALA 69 3.810 -23.662 16.943 452 3HB ALA 69 3HB ALA 69 5.182 -22.579 16.704 453 H ASN 70 H ASN 70 5.344 -22.191 12.839 454 HA ASN 70 HA ASN 70 6.318 -19.678 13.701 455 1HB ASN 70 1HB ASN 70 5.681 -21.022 11.103 456 2HB ASN 70 2HB ASN 70 6.080 -19.305 11.069 457 2HD2 ASN 70 2HD2 ASN 70 8.221 -18.693 12.115 458 1HD2 ASN 70 1HD2 ASN 70 9.484 -19.827 12.098 459 H CYS 71 H CYS 71 3.127 -20.601 12.504 460 HA CYS 71 HA CYS 71 2.269 -17.746 12.409 461 1HB CYS 71 1HB CYS 71 0.416 -18.607 11.150 462 2HB CYS 71 2HB CYS 71 1.829 -19.499 10.588 463 H ALA 72 H ALA 72 2.658 -19.879 14.794 464 HA ALA 72 HA ALA 72 0.363 -20.482 16.158 465 1HB ALA 72 1HB ALA 72 2.842 -20.653 16.812 466 2HB ALA 72 2HB ALA 72 1.700 -20.353 18.121 467 3HB ALA 72 3HB ALA 72 2.662 -19.026 17.470 468 H SER 73 H SER 73 -0.968 -19.386 17.719 469 HA SER 73 HA SER 73 -0.944 -16.401 17.690 470 1HB SER 73 1HB SER 73 -2.778 -18.214 16.337 471 2HB SER 73 2HB SER 73 -3.634 -17.195 17.495 472 HG SER 73 HG SER 73 -1.770 -16.208 15.607 473 H ILE 74 H ILE 74 -3.236 -15.976 19.155 474 HA ILE 74 HA ILE 74 -3.169 -17.791 21.505 475 HB ILE 74 HB ILE 74 -2.366 -14.875 21.426 476 1HG1 ILE 74 1HG1 ILE 74 -0.609 -16.579 21.063 477 2HG1 ILE 74 2HG1 ILE 74 -0.372 -15.732 22.590 478 1HG2 ILE 74 1HG2 ILE 74 -4.029 -15.314 23.264 479 2HG2 ILE 74 2HG2 ILE 74 -2.934 -16.543 23.895 480 3HG2 ILE 74 3HG2 ILE 74 -2.433 -14.852 23.854 481 1HD1 ILE 74 1HD1 ILE 74 -1.715 -17.645 23.665 482 2HD1 ILE 74 2HD1 ILE 74 -1.479 -18.510 22.146 483 3HD1 ILE 74 3HD1 ILE 74 -0.085 -18.035 23.117 484 H VAL 75 H VAL 75 -5.385 -18.239 20.895 485 HA VAL 75 HA VAL 75 -7.396 -16.316 20.367 486 HB VAL 75 HB VAL 75 -7.114 -19.099 20.705 487 1HG1 VAL 75 1HG1 VAL 75 -9.307 -17.986 22.486 488 2HG1 VAL 75 2HG1 VAL 75 -9.164 -19.676 22.002 489 3HG1 VAL 75 3HG1 VAL 75 -7.920 -18.940 23.014 490 1HG2 VAL 75 1HG2 VAL 75 -8.859 -17.166 19.469 491 2HG2 VAL 75 2HG2 VAL 75 -8.503 -18.818 18.962 492 3HG2 VAL 75 3HG2 VAL 75 -9.811 -18.508 20.104 493 H LYS 76 H LYS 76 -8.353 -14.805 21.677 494 HA LYS 76 HA LYS 76 -7.846 -14.986 24.611 495 1HB LYS 76 1HB LYS 76 -7.317 -12.986 22.972 496 2HB LYS 76 2HB LYS 76 -9.032 -12.629 23.175 497 1HG LYS 76 1HG LYS 76 -7.643 -13.227 25.698 498 2HG LYS 76 2HG LYS 76 -7.038 -11.786 24.881 499 1HD LYS 76 1HD LYS 76 -8.932 -10.621 25.319 500 2HD LYS 76 2HD LYS 76 -9.965 -11.973 24.855 501 1HE LYS 76 1HE LYS 76 -8.876 -12.895 27.211 502 2HE LYS 76 2HE LYS 76 -9.044 -11.159 27.537 503 1HZ LYS 76 1HZ LYS 76 -11.319 -11.408 26.445 504 2HZ LYS 76 2HZ LYS 76 -11.123 -13.080 26.662 505 3HZ LYS 76 3HZ LYS 76 -11.146 -12.048 28.010 506 H GLU 77 H GLU 77 -10.183 -15.914 22.484 507 HA GLU 77 HA GLU 77 -12.211 -16.399 24.403 508 1HB GLU 77 1HB GLU 77 -11.937 -13.674 23.736 509 2HB GLU 77 2HB GLU 77 -13.371 -14.221 22.869 510 1HG GLU 77 1HG GLU 77 -13.327 -15.321 25.550 511 2HG GLU 77 2HG GLU 77 -13.198 -13.563 25.603 512 H GLY 78 H GLY 78 -13.850 -17.643 23.439 513 1HA GLY 78 1HA GLY 78 -14.073 -17.586 20.471 514 2HA GLY 78 2HA GLY 78 -15.261 -18.291 21.568 515 H GLU 79 H GLU 79 -14.428 -19.837 19.466 516 HA GLU 79 HA GLU 79 -12.281 -21.636 20.477 517 1HB GLU 79 1HB GLU 79 -14.365 -22.382 21.526 518 2HB GLU 79 2HB GLU 79 -15.171 -22.407 19.958 519 1HG GLU 79 1HG GLU 79 -14.258 -24.408 19.399 520 2HG GLU 79 2HG GLU 79 -12.671 -23.952 20.019 521 H ILE 80 H ILE 80 -10.987 -21.711 18.664 522 HA ILE 80 HA ILE 80 -12.145 -21.554 15.960 523 HB ILE 80 HB ILE 80 -9.347 -21.835 17.096 524 1HG1 ILE 80 1HG1 ILE 80 -10.830 -19.532 15.791 525 2HG1 ILE 80 2HG1 ILE 80 -10.437 -19.671 17.505 526 1HG2 ILE 80 1HG2 ILE 80 -9.789 -22.821 14.732 527 2HG2 ILE 80 2HG2 ILE 80 -10.001 -21.142 14.236 528 3HG2 ILE 80 3HG2 ILE 80 -8.463 -21.673 14.916 529 1HD1 ILE 80 1HD1 ILE 80 -8.024 -19.720 16.932 530 2HD1 ILE 80 2HD1 ILE 80 -8.437 -19.532 15.227 531 3HD1 ILE 80 3HD1 ILE 80 -8.794 -18.236 16.368 532 H ASP 81 H ASP 81 -12.084 -23.260 14.428 533 HA ASP 81 HA ASP 81 -11.993 -25.984 15.582 534 1HB ASP 81 1HB ASP 81 -13.501 -24.620 13.666 535 2HB ASP 81 2HB ASP 81 -12.493 -25.713 12.717 536 H MET 82 H MET 82 -10.507 -27.573 14.905 537 HA MET 82 HA MET 82 -8.468 -26.847 12.863 538 1HB MET 82 1HB MET 82 -7.947 -26.190 15.372 539 2HB MET 82 2HB MET 82 -7.588 -27.909 15.533 540 1HG MET 82 1HG MET 82 -6.419 -26.363 13.237 541 2HG MET 82 2HG MET 82 -5.676 -26.245 14.833 542 1HE MET 82 1HE MET 82 -4.943 -27.747 16.153 543 2HE MET 82 2HE MET 82 -4.679 -29.477 15.943 544 3HE MET 82 3HE MET 82 -3.511 -28.329 15.294 545 H ASP 83 H ASP 83 -8.405 -28.620 11.536 546 HA ASP 83 HA ASP 83 -9.559 -31.142 12.025 547 1HB ASP 83 1HB ASP 83 -7.309 -30.162 10.257 548 2HB ASP 83 2HB ASP 83 -7.909 -31.819 10.163 549 H MET 84 H MET 84 -8.592 -33.193 12.597 550 HA MET 84 HA MET 84 -6.979 -33.323 14.863 551 1HB MET 84 1HB MET 84 -6.688 -35.667 14.242 552 2HB MET 84 2HB MET 84 -8.309 -35.151 13.779 553 1HG MET 84 1HG MET 84 -7.354 -34.648 11.470 554 2HG MET 84 2HG MET 84 -5.891 -35.488 11.987 555 1HE MET 84 1HE MET 84 -5.556 -36.995 10.763 556 2HE MET 84 2HE MET 84 -5.949 -38.567 11.475 557 3HE MET 84 3HE MET 84 -6.644 -38.098 9.925 558 H GLN 85 H GLN 85 -4.792 -33.177 15.259 559 HA GLN 85 HA GLN 85 -2.822 -33.487 13.088 560 1HB GLN 85 1HB GLN 85 -3.998 -31.000 13.611 561 2HB GLN 85 2HB GLN 85 -2.439 -30.925 14.431 562 1HG GLN 85 1HG GLN 85 -1.538 -30.463 12.410 563 2HG GLN 85 2HG GLN 85 -1.858 -32.147 11.991 564 2HE2 GLN 85 2HE2 GLN 85 -4.036 -32.592 10.956 565 1HE2 GLN 85 1HE2 GLN 85 -4.767 -31.367 10.036 566 H GLN 86 H GLN 86 -0.556 -33.278 14.015 567 HA GLN 86 HA GLN 86 -0.547 -33.850 16.963 568 1HB GLN 86 1HB GLN 86 -0.043 -35.595 14.916 569 2HB GLN 86 2HB GLN 86 1.581 -35.003 15.267 570 1HG GLN 86 1HG GLN 86 1.519 -35.780 17.484 571 2HG GLN 86 2HG GLN 86 -0.244 -35.851 17.507 572 2HE2 GLN 86 2HE2 GLN 86 1.258 -38.137 18.272 573 1HE2 GLN 86 1HE2 GLN 86 1.071 -39.341 17.091 574 H ILE 87 H ILE 87 0.064 -31.352 15.208 575 HA ILE 87 HA ILE 87 2.944 -30.936 15.700 576 HB ILE 87 HB ILE 87 1.766 -30.138 13.666 577 1HG1 ILE 87 1HG1 ILE 87 3.764 -28.926 14.726 578 2HG1 ILE 87 2HG1 ILE 87 2.800 -28.002 13.577 579 1HG2 ILE 87 1HG2 ILE 87 0.203 -28.533 15.697 580 2HG2 ILE 87 2HG2 ILE 87 0.249 -28.117 13.984 581 3HG2 ILE 87 3HG2 ILE 87 -0.424 -29.663 14.498 582 1HD1 ILE 87 1HD1 ILE 87 1.599 -27.643 16.132 583 2HD1 ILE 87 2HD1 ILE 87 3.335 -27.423 16.344 584 3HD1 ILE 87 3HD1 ILE 87 2.458 -26.445 15.167 585 H LEU 88 H LEU 88 -0.164 -29.983 17.077 586 HA LEU 88 HA LEU 88 1.316 -28.612 19.299 587 1HB LEU 88 1HB LEU 88 -0.877 -27.782 17.512 588 2HB LEU 88 2HB LEU 88 -1.196 -27.477 19.220 589 HG LEU 88 HG LEU 88 1.389 -26.679 17.859 590 1HD1 LEU 88 1HD1 LEU 88 -0.704 -25.573 16.898 591 2HD1 LEU 88 2HD1 LEU 88 -0.943 -24.858 18.493 592 3HD1 LEU 88 3HD1 LEU 88 0.507 -24.476 17.563 593 1HD2 LEU 88 1HD2 LEU 88 0.113 -26.252 20.543 594 2HD2 LEU 88 2HD2 LEU 88 1.782 -26.672 20.157 595 3HD2 LEU 88 3HD2 LEU 88 1.206 -25.024 19.904 596 H SER 89 H SER 89 -0.688 -28.295 21.099 597 HA SER 89 HA SER 89 -1.863 -31.032 21.467 598 1HB SER 89 1HB SER 89 -1.326 -30.014 24.002 599 2HB SER 89 2HB SER 89 -0.338 -31.195 23.142 600 HG SER 89 HG SER 89 1.134 -29.738 22.942 601 H ASP 90 H ASP 90 -3.960 -31.053 22.334 602 HA ASP 90 HA ASP 90 -5.679 -28.841 21.990 603 1HB ASP 90 1HB ASP 90 -5.739 -31.538 22.957 604 2HB ASP 90 2HB ASP 90 -6.648 -30.527 24.081 605 H GLU 91 H GLU 91 -3.989 -29.964 24.906 606 HA GLU 91 HA GLU 91 -5.105 -28.167 26.797 607 1HB GLU 91 1HB GLU 91 -3.684 -30.091 27.342 608 2HB GLU 91 2HB GLU 91 -2.316 -29.339 26.523 609 1HG GLU 91 1HG GLU 91 -3.338 -27.443 28.388 610 2HG GLU 91 2HG GLU 91 -3.180 -28.982 29.234 611 H GLU 92 H GLU 92 -2.588 -27.711 24.363 612 HA GLU 92 HA GLU 92 -1.578 -25.190 25.320 613 1HB GLU 92 1HB GLU 92 -1.130 -27.041 23.247 614 2HB GLU 92 2HB GLU 92 -1.541 -25.532 22.432 615 1HG GLU 92 1HG GLU 92 0.645 -25.000 22.760 616 2HG GLU 92 2HG GLU 92 0.150 -24.660 24.418 617 H VAL 93 H VAL 93 -4.372 -26.122 23.400 618 HA VAL 93 HA VAL 93 -4.966 -23.428 22.443 619 HB VAL 93 HB VAL 93 -6.675 -25.929 22.650 620 1HG1 VAL 93 1HG1 VAL 93 -7.090 -23.242 21.565 621 2HG1 VAL 93 2HG1 VAL 93 -7.356 -24.507 20.366 622 3HG1 VAL 93 3HG1 VAL 93 -8.265 -24.519 21.876 623 1HG2 VAL 93 1HG2 VAL 93 -4.494 -26.251 21.447 624 2HG2 VAL 93 2HG2 VAL 93 -5.901 -26.448 20.404 625 3HG2 VAL 93 3HG2 VAL 93 -4.961 -24.956 20.345 626 H GLU 94 H GLU 94 -5.957 -25.464 25.166 627 HA GLU 94 HA GLU 94 -7.947 -23.471 26.076 628 1HB GLU 94 1HB GLU 94 -7.955 -26.123 26.123 629 2HB GLU 94 2HB GLU 94 -7.061 -25.886 27.625 630 1HG GLU 94 1HG GLU 94 -9.188 -25.798 28.494 631 2HG GLU 94 2HG GLU 94 -9.037 -24.104 28.027 632 H GLU 95 H GLU 95 -4.725 -24.674 26.944 633 HA GLU 95 HA GLU 95 -4.648 -22.863 29.308 634 1HB GLU 95 1HB GLU 95 -3.951 -25.206 29.549 635 2HB GLU 95 2HB GLU 95 -2.774 -25.005 28.251 636 1HG GLU 95 1HG GLU 95 -1.316 -23.827 29.576 637 2HG GLU 95 2HG GLU 95 -2.610 -23.064 30.499 638 H LYS 96 H LYS 96 -3.433 -23.141 26.044 639 HA LYS 96 HA LYS 96 -1.647 -20.780 26.539 640 1HB LYS 96 1HB LYS 96 -1.027 -23.307 25.615 641 2HB LYS 96 2HB LYS 96 -1.212 -22.393 24.117 642 1HG LYS 96 1HG LYS 96 0.932 -21.737 24.495 643 2HG LYS 96 2HG LYS 96 0.219 -20.638 25.675 644 1HD LYS 96 1HD LYS 96 0.838 -21.948 27.476 645 2HD LYS 96 2HD LYS 96 0.778 -23.444 26.544 646 1HE LYS 96 1HE LYS 96 2.851 -22.759 25.345 647 2HE LYS 96 2HE LYS 96 2.923 -21.296 26.345 648 1HZ LYS 96 1HZ LYS 96 2.761 -24.059 27.436 649 2HZ LYS 96 2HZ LYS 96 4.218 -23.204 27.255 650 3HZ LYS 96 3HZ LYS 96 3.020 -22.628 28.312 651 H ASP 97 H ASP 97 -4.422 -21.944 24.894 652 HA ASP 97 HA ASP 97 -5.855 -20.915 23.322 653 1HB ASP 97 1HB ASP 97 -4.290 -18.775 24.676 654 2HB ASP 97 2HB ASP 97 -5.177 -18.304 23.223 655 H VAL 98 H VAL 98 -3.062 -21.928 22.497 656 HA VAL 98 HA VAL 98 -2.486 -20.152 20.187 657 HB VAL 98 HB VAL 98 -0.732 -21.118 21.734 658 1HG1 VAL 98 1HG1 VAL 98 -2.019 -23.372 21.789 659 2HG1 VAL 98 2HG1 VAL 98 -1.193 -23.712 20.268 660 3HG1 VAL 98 3HG1 VAL 98 -0.257 -23.428 21.735 661 1HG2 VAL 98 1HG2 VAL 98 -0.276 -20.375 19.368 662 2HG2 VAL 98 2HG2 VAL 98 0.828 -21.621 19.953 663 3HG2 VAL 98 3HG2 VAL 98 -0.490 -22.050 18.860 664 H ARG 99 H ARG 99 -2.754 -20.838 18.033 665 HA ARG 99 HA ARG 99 -3.773 -23.576 17.500 666 1HB ARG 99 1HB ARG 99 -5.520 -21.558 18.059 667 2HB ARG 99 2HB ARG 99 -5.362 -21.371 16.312 668 1HG ARG 99 1HG ARG 99 -7.101 -22.930 16.476 669 2HG ARG 99 2HG ARG 99 -5.694 -23.973 16.276 670 1HD ARG 99 1HD ARG 99 -5.596 -24.432 18.644 671 2HD ARG 99 2HD ARG 99 -6.806 -23.181 18.990 672 HE ARG 99 HE ARG 99 -8.368 -24.606 17.515 673 1HH1 ARG 99 1HH1 ARG 99 -5.843 -26.498 17.229 674 2HH1 ARG 99 2HH1 ARG 99 -6.392 -27.830 18.192 675 1HH2 ARG 99 1HH2 ARG 99 -9.013 -26.061 19.616 676 2HH2 ARG 99 2HH2 ARG 99 -8.189 -27.583 19.541 677 H LEU 100 H LEU 100 -4.594 -23.139 14.866 678 HA LEU 100 HA LEU 100 -2.036 -22.263 13.574 679 1HB LEU 100 1HB LEU 100 -4.224 -24.140 12.618 680 2HB LEU 100 2HB LEU 100 -2.669 -23.872 11.831 681 HG LEU 100 HG LEU 100 -2.606 -24.661 14.703 682 1HD1 LEU 100 1HD1 LEU 100 -4.054 -26.179 12.734 683 2HD1 LEU 100 2HD1 LEU 100 -2.596 -27.062 13.186 684 3HD1 LEU 100 3HD1 LEU 100 -3.754 -26.577 14.425 685 1HD2 LEU 100 1HD2 LEU 100 -0.689 -24.219 12.902 686 2HD2 LEU 100 2HD2 LEU 100 -0.510 -25.462 14.141 687 3HD2 LEU 100 3HD2 LEU 100 -1.005 -25.909 12.508 688 H THR 101 H THR 101 -2.275 -20.232 12.701 689 HA THR 101 HA THR 101 -4.899 -19.175 11.937 690 HB THR 101 HB THR 101 -3.027 -17.393 11.052 691 HG1 THR 101 HG1 THR 101 -1.200 -17.621 12.175 692 1HG2 THR 101 1HG2 THR 101 -4.209 -17.928 13.764 693 2HG2 THR 101 2HG2 THR 101 -3.095 -16.580 13.533 694 3HG2 THR 101 3HG2 THR 101 -4.600 -16.647 12.616 695 H CYS 102 H CYS 102 -2.226 -20.753 10.335 696 HA CYS 102 HA CYS 102 -2.871 -19.818 7.647 697 1HB CYS 102 1HB CYS 102 -1.211 -21.592 7.052 698 2HB CYS 102 2HB CYS 102 -0.624 -20.511 8.315 699 H ILE 103 H ILE 103 -3.659 -22.666 9.610 700 HA ILE 103 HA ILE 103 -5.619 -23.476 7.491 701 HB ILE 103 HB ILE 103 -4.946 -25.796 7.897 702 1HG1 ILE 103 1HG1 ILE 103 -2.580 -25.318 9.483 703 2HG1 ILE 103 2HG1 ILE 103 -4.006 -24.730 10.339 704 1HG2 ILE 103 1HG2 ILE 103 -3.601 -24.210 6.359 705 2HG2 ILE 103 2HG2 ILE 103 -2.384 -24.222 7.634 706 3HG2 ILE 103 3HG2 ILE 103 -2.835 -25.726 6.830 707 1HD1 ILE 103 1HD1 ILE 103 -3.906 -27.459 9.037 708 2HD1 ILE 103 2HD1 ILE 103 -3.419 -27.193 10.710 709 3HD1 ILE 103 3HD1 ILE 103 -5.077 -26.864 10.212 710 H GLY 104 H GLY 104 -5.910 -21.961 10.071 711 1HA GLY 104 1HA GLY 104 -6.826 -22.617 12.325 712 2HA GLY 104 2HA GLY 104 -7.697 -23.901 11.486 713 H SER 105 H SER 105 -9.801 -23.194 11.927 714 HA SER 105 HA SER 105 -10.519 -20.450 10.950 715 1HB SER 105 1HB SER 105 -12.022 -23.048 10.506 716 2HB SER 105 2HB SER 105 -12.456 -21.468 9.857 717 HG SER 105 HG SER 105 -10.388 -23.196 9.138 718 HA PRO 106 HA PRO 106 -12.703 -20.167 14.752 719 1HB PRO 106 1HB PRO 106 -14.617 -18.337 14.066 720 2HB PRO 106 2HB PRO 106 -12.914 -17.908 14.312 721 1HG PRO 106 1HG PRO 106 -14.422 -18.337 11.780 722 2HG PRO 106 2HG PRO 106 -13.164 -17.152 12.155 723 1HD PRO 106 1HD PRO 106 -12.733 -19.454 10.727 724 2HD PRO 106 2HD PRO 106 -11.475 -18.609 11.651 725 H ALA 107 H ALA 107 -14.388 -21.305 15.699 726 HA ALA 107 HA ALA 107 -16.432 -22.494 13.857 727 1HB ALA 107 1HB ALA 107 -16.027 -23.585 16.577 728 2HB ALA 107 2HB ALA 107 -16.124 -24.430 15.032 729 3HB ALA 107 3HB ALA 107 -14.612 -23.672 15.529 730 H ALA 108 H ALA 108 -15.980 -20.332 16.498 731 HA ALA 108 HA ALA 108 -18.867 -20.506 17.265 732 1HB ALA 108 1HB ALA 108 -16.333 -20.068 18.614 733 2HB ALA 108 2HB ALA 108 -17.453 -18.748 18.953 734 3HB ALA 108 3HB ALA 108 -17.914 -20.411 19.316 735 H ASP 109 H ASP 109 -19.752 -18.211 17.880 736 HA ASP 109 HA ASP 109 -19.679 -16.542 15.522 737 1HB ASP 109 1HB ASP 109 -20.865 -16.430 18.288 738 2HB ASP 109 2HB ASP 109 -20.984 -15.028 17.225 739 H GLU 110 H GLU 110 -19.049 -15.398 18.845 740 HA GLU 110 HA GLU 110 -17.096 -13.441 17.799 741 1HB GLU 110 1HB GLU 110 -19.009 -13.469 19.778 742 2HB GLU 110 2HB GLU 110 -17.530 -13.716 20.706 743 1HG GLU 110 1HG GLU 110 -16.698 -11.745 19.054 744 2HG GLU 110 2HG GLU 110 -18.414 -11.348 19.142 745 H VAL 111 H VAL 111 -14.948 -13.973 17.695 746 HA VAL 111 HA VAL 111 -13.839 -15.803 19.786 747 HB VAL 111 HB VAL 111 -13.105 -15.947 16.857 748 1HG1 VAL 111 1HG1 VAL 111 -12.365 -17.320 19.323 749 2HG1 VAL 111 2HG1 VAL 111 -12.923 -18.446 18.086 750 3HG1 VAL 111 3HG1 VAL 111 -11.578 -17.357 17.745 751 1HG2 VAL 111 1HG2 VAL 111 -15.404 -17.222 18.332 752 2HG2 VAL 111 2HG2 VAL 111 -15.403 -16.454 16.745 753 3HG2 VAL 111 3HG2 VAL 111 -14.656 -18.038 16.957 754 H LYS 112 H LYS 112 -12.572 -14.244 20.833 755 HA LYS 112 HA LYS 112 -11.004 -12.281 19.302 756 1HB LYS 112 1HB LYS 112 -10.981 -13.011 22.251 757 2HB LYS 112 2HB LYS 112 -10.380 -11.515 21.534 758 1HG LYS 112 1HG LYS 112 -12.958 -11.626 20.565 759 2HG LYS 112 2HG LYS 112 -13.140 -12.307 22.181 760 1HD LYS 112 1HD LYS 112 -11.597 -9.755 21.708 761 2HD LYS 112 2HD LYS 112 -13.343 -9.745 21.958 762 1HE LYS 112 1HE LYS 112 -12.648 -11.305 24.042 763 2HE LYS 112 2HE LYS 112 -11.155 -10.361 23.896 764 1HZ LYS 112 1HZ LYS 112 -13.602 -8.843 23.566 765 2HZ LYS 112 2HZ LYS 112 -13.386 -9.483 25.124 766 3HZ LYS 112 3HZ LYS 112 -12.204 -8.466 24.454 767 H ILE 113 H ILE 113 -8.713 -12.337 19.096 768 HA ILE 113 HA ILE 113 -7.159 -14.521 20.299 769 HB ILE 113 HB ILE 113 -8.363 -15.534 18.361 770 1HG1 ILE 113 1HG1 ILE 113 -5.359 -15.200 18.194 771 2HG1 ILE 113 2HG1 ILE 113 -6.262 -16.539 18.904 772 1HG2 ILE 113 1HG2 ILE 113 -8.461 -13.408 17.039 773 2HG2 ILE 113 2HG2 ILE 113 -6.731 -13.565 16.730 774 3HG2 ILE 113 3HG2 ILE 113 -7.853 -14.773 16.102 775 1HD1 ILE 113 1HD1 ILE 113 -7.249 -16.540 16.358 776 2HD1 ILE 113 2HD1 ILE 113 -5.592 -16.007 16.075 777 3HD1 ILE 113 3HD1 ILE 113 -5.898 -17.541 16.890 778 H VAL 114 H VAL 114 -4.918 -14.113 20.193 779 HA VAL 114 HA VAL 114 -4.186 -11.373 19.355 780 HB VAL 114 HB VAL 114 -3.410 -13.355 21.324 781 1HG1 VAL 114 1HG1 VAL 114 -1.202 -12.208 19.602 782 2HG1 VAL 114 2HG1 VAL 114 -0.927 -12.738 21.261 783 3HG1 VAL 114 3HG1 VAL 114 -1.465 -13.895 20.044 784 1HG2 VAL 114 1HG2 VAL 114 -4.087 -10.958 21.664 785 2HG2 VAL 114 2HG2 VAL 114 -2.598 -11.409 22.493 786 3HG2 VAL 114 3HG2 VAL 114 -2.526 -10.480 20.997 787 H TYR 115 H TYR 115 -3.167 -11.001 17.416 788 HA TYR 115 HA TYR 115 -2.355 -13.335 15.786 789 1HB TYR 115 1HB TYR 115 -2.958 -11.988 14.046 790 2HB TYR 115 2HB TYR 115 -3.722 -11.011 15.293 791 HD1 TYR 115 HD1 TYR 115 -2.540 -9.003 16.212 792 HD2 TYR 115 HD2 TYR 115 -1.016 -11.233 12.873 793 HE1 TYR 115 HE1 TYR 115 -1.056 -7.108 15.624 794 HE2 TYR 115 HE2 TYR 115 0.472 -9.337 12.286 795 HH TYR 115 HH TYR 115 1.250 -6.918 14.311 796 H ASN 116 H ASN 116 -0.244 -13.644 15.024 797 HA ASN 116 HA ASN 116 2.102 -13.354 14.866 798 1HB ASN 116 1HB ASN 116 1.076 -10.808 15.023 799 2HB ASN 116 2HB ASN 116 2.139 -10.851 16.430 800 2HD2 ASN 116 2HD2 ASN 116 4.078 -12.735 15.270 801 1HD2 ASN 116 1HD2 ASN 116 4.910 -11.895 14.053 802 H ALA 117 H ALA 117 1.351 -15.091 16.732 803 HA ALA 117 HA ALA 117 2.138 -14.301 19.447 804 1HB ALA 117 1HB ALA 117 1.846 -16.829 19.760 805 2HB ALA 117 2HB ALA 117 0.428 -15.957 19.178 806 3HB ALA 117 3HB ALA 117 1.415 -16.888 18.051 807 H LYS 118 H LYS 118 3.718 -15.650 16.635 808 HA LYS 118 HA LYS 118 5.878 -17.074 17.696 809 1HB LYS 118 1HB LYS 118 7.035 -16.368 15.646 810 2HB LYS 118 2HB LYS 118 5.335 -16.675 15.291 811 1HG LYS 118 1HG LYS 118 5.151 -14.574 14.503 812 2HG LYS 118 2HG LYS 118 5.532 -13.962 16.112 813 1HD LYS 118 1HD LYS 118 7.571 -14.735 14.001 814 2HD LYS 118 2HD LYS 118 7.115 -13.084 14.423 815 1HE LYS 118 1HE LYS 118 7.909 -13.456 16.740 816 2HE LYS 118 2HE LYS 118 8.378 -15.111 16.307 817 H HIS 119 H HIS 119 5.205 -13.649 17.910 818 HA HIS 119 HA HIS 119 7.801 -12.622 18.475 819 1HB HIS 119 1HB HIS 119 4.970 -11.907 19.258 820 2HB HIS 119 2HB HIS 119 6.336 -10.931 19.797 821 HD1 HIS 119 HD1 HIS 119 8.080 -10.450 17.564 822 HD2 HIS 119 HD2 HIS 119 3.990 -10.897 16.897 823 HE1 HIS 119 HE1 HIS 119 7.600 -9.386 15.317 824 H LEU 120 H LEU 120 5.505 -14.420 20.437 825 HA LEU 120 HA LEU 120 6.183 -13.967 23.059 826 1HB LEU 120 1HB LEU 120 5.352 -16.235 21.396 827 2HB LEU 120 2HB LEU 120 6.192 -16.737 22.862 828 HG LEU 120 HG LEU 120 4.614 -14.919 23.982 829 1HD1 LEU 120 1HD1 LEU 120 3.656 -14.189 21.812 830 2HD1 LEU 120 2HD1 LEU 120 3.037 -15.819 21.550 831 3HD1 LEU 120 3HD1 LEU 120 2.416 -14.844 22.882 832 1HD2 LEU 120 1HD2 LEU 120 4.648 -17.695 23.785 833 2HD2 LEU 120 2HD2 LEU 120 3.664 -16.754 24.906 834 3HD2 LEU 120 3HD2 LEU 120 2.990 -17.271 23.361 835 H ASP 121 H ASP 121 8.085 -13.976 24.207 836 HA ASP 121 HA ASP 121 10.622 -14.605 23.013 837 1HB ASP 121 1HB ASP 121 10.133 -13.023 24.912 838 2HB ASP 121 2HB ASP 121 9.843 -14.425 25.943 839 H TYR 122 H TYR 122 8.230 -16.524 24.642 840 HA TYR 122 HA TYR 122 9.989 -18.694 25.463 841 1HB TYR 122 1HB TYR 122 7.906 -18.305 26.605 842 2HB TYR 122 2HB TYR 122 7.003 -18.339 25.091 843 HD1 TYR 122 HD1 TYR 122 6.689 -20.471 23.860 844 HD2 TYR 122 HD2 TYR 122 8.589 -20.337 27.710 845 HE1 TYR 122 HE1 TYR 122 6.381 -22.922 24.097 846 HE2 TYR 122 HE2 TYR 122 8.281 -22.786 27.947 847 HH TYR 122 HH TYR 122 7.563 -24.801 25.423 848 H LEU 123 H LEU 123 8.276 -17.825 22.537 849 HA LEU 123 HA LEU 123 8.929 -20.492 21.334 850 1HB LEU 123 1HB LEU 123 6.587 -19.016 21.460 851 2HB LEU 123 2HB LEU 123 7.200 -18.638 19.851 852 HG LEU 123 HG LEU 123 6.945 -21.459 20.929 853 1HD1 LEU 123 1HD1 LEU 123 4.785 -19.977 20.529 854 2HD1 LEU 123 2HD1 LEU 123 5.130 -20.319 18.833 855 3HD1 LEU 123 3HD1 LEU 123 4.841 -21.645 19.959 856 1HD2 LEU 123 1HD2 LEU 123 8.125 -20.245 18.571 857 2HD2 LEU 123 2HD2 LEU 123 8.202 -21.921 19.114 858 3HD2 LEU 123 3HD2 LEU 123 6.849 -21.375 18.123 859 H GLN 124 H GLN 124 9.457 -17.035 21.119 860 HA GLN 124 HA GLN 124 10.388 -16.679 18.503 861 1HB GLN 124 1HB GLN 124 10.139 -14.875 20.098 862 2HB GLN 124 2HB GLN 124 11.357 -15.585 21.157 863 1HG GLN 124 1HG GLN 124 13.115 -15.096 19.637 864 2HG GLN 124 2HG GLN 124 11.992 -14.791 18.312 865 2HE2 GLN 124 2HE2 GLN 124 11.273 -13.553 21.531 866 1HE2 GLN 124 1HE2 GLN 124 11.572 -11.920 21.175 867 H ASN 125 H ASN 125 12.706 -17.020 21.179 868 HA ASN 125 HA ASN 125 14.962 -17.730 19.718 869 1HB ASN 125 1HB ASN 125 13.900 -18.272 22.454 870 2HB ASN 125 2HB ASN 125 15.327 -19.180 21.953 871 2HD2 ASN 125 2HD2 ASN 125 17.178 -18.120 22.669 872 1HD2 ASN 125 1HD2 ASN 125 17.402 -16.437 22.673 873 H ARG 126 H ARG 126 12.161 -19.718 20.439 874 HA ARG 126 HA ARG 126 13.246 -22.313 20.010 875 1HB ARG 126 1HB ARG 126 10.773 -21.093 20.487 876 2HB ARG 126 2HB ARG 126 10.560 -21.912 18.940 877 1HG ARG 126 1HG ARG 126 10.069 -23.661 20.377 878 2HG ARG 126 2HG ARG 126 11.811 -23.887 20.218 879 1HD ARG 126 1HD ARG 126 12.062 -23.544 22.444 880 2HD ARG 126 2HD ARG 126 11.300 -21.949 22.294 881 HE ARG 126 HE ARG 126 9.152 -22.978 22.736 882 1HH1 ARG 126 1HH1 ARG 126 9.443 -25.575 21.373 883 2HH1 ARG 126 2HH1 ARG 126 9.612 -26.689 22.688 884 1HH2 ARG 126 1HH2 ARG 126 10.391 -24.236 25.012 885 2HH2 ARG 126 2HH2 ARG 126 10.150 -25.931 24.749 886 H VAL 127 H VAL 127 12.637 -19.715 17.784 887 HA VAL 127 HA VAL 127 12.443 -21.367 15.384 888 HB VAL 127 HB VAL 127 12.493 -19.200 14.276 889 1HG1 VAL 127 1HG1 VAL 127 10.878 -19.669 16.689 890 2HG1 VAL 127 2HG1 VAL 127 10.979 -17.970 16.225 891 3HG1 VAL 127 3HG1 VAL 127 10.370 -19.163 15.076 892 1HG2 VAL 127 1HG2 VAL 127 13.949 -18.458 16.748 893 2HG2 VAL 127 2HG2 VAL 127 14.125 -17.836 15.106 894 3HG2 VAL 127 3HG2 VAL 127 12.824 -17.242 16.139 895 H ILE 128 H ILE 128 15.011 -20.265 17.394 896 HA ILE 128 HA ILE 128 16.992 -21.125 15.317 897 HB ILE 128 HB ILE 128 16.759 -18.626 15.558 898 1HG1 ILE 128 1HG1 ILE 128 19.373 -18.547 16.424 899 2HG1 ILE 128 2HG1 ILE 128 19.206 -20.224 15.905 900 1HG2 ILE 128 1HG2 ILE 128 16.885 -19.370 18.340 901 2HG2 ILE 128 2HG2 ILE 128 18.209 -18.265 17.965 902 3HG2 ILE 128 3HG2 ILE 128 16.542 -17.790 17.637 903 1HD1 ILE 128 1HD1 ILE 128 17.904 -18.697 13.931 904 2HD1 ILE 128 2HD1 ILE 128 19.398 -17.829 14.288 905 3HD1 ILE 128 3HD1 ILE 128 19.458 -19.517 13.782 No H/Q in entry = 905 Start of MODEL 11 1 H2 PRO 1 H2 PRO 1 -20.042 -14.017 13.262 2 H3 PRO 1 H3 PRO 1 -20.337 -15.682 13.449 3 HA PRO 1 HA PRO 1 -18.170 -16.045 13.212 4 1HB PRO 1 1HB PRO 1 -17.532 -15.281 10.662 5 2HB PRO 1 2HB PRO 1 -18.506 -16.719 11.026 6 1HG PRO 1 1HG PRO 1 -19.373 -14.005 10.149 7 2HG PRO 1 2HG PRO 1 -19.984 -15.593 9.665 8 1HD PRO 1 1HD PRO 1 -21.245 -13.988 11.469 9 2HD PRO 1 2HD PRO 1 -21.359 -15.760 11.493 10 H THR 2 H THR 2 -18.391 -13.764 14.665 11 HA THR 2 HA THR 2 -16.548 -11.772 13.395 12 HB THR 2 HB THR 2 -18.082 -11.325 15.937 13 HG1 THR 2 HG1 THR 2 -19.614 -12.211 14.575 14 1HG2 THR 2 1HG2 THR 2 -16.545 -9.774 14.134 15 2HG2 THR 2 2HG2 THR 2 -18.219 -9.249 13.950 16 3HG2 THR 2 3HG2 THR 2 -17.451 -9.207 15.537 17 H VAL 3 H VAL 3 -14.454 -11.923 14.087 18 HA VAL 3 HA VAL 3 -13.957 -12.932 16.871 19 HB VAL 3 HB VAL 3 -12.234 -13.250 14.392 20 1HG1 VAL 3 1HG1 VAL 3 -12.139 -14.397 17.193 21 2HG1 VAL 3 2HG1 VAL 3 -11.214 -15.067 15.849 22 3HG1 VAL 3 3HG1 VAL 3 -10.912 -13.417 16.391 23 1HG2 VAL 3 1HG2 VAL 3 -14.659 -14.469 14.813 24 2HG2 VAL 3 2HG2 VAL 3 -13.344 -15.163 13.866 25 3HG2 VAL 3 3HG2 VAL 3 -13.549 -15.617 15.558 26 H GLU 4 H GLU 4 -12.921 -11.447 18.141 27 HA GLU 4 HA GLU 4 -11.906 -8.950 16.964 28 1HB GLU 4 1HB GLU 4 -13.242 -9.445 19.180 29 2HB GLU 4 2HB GLU 4 -11.644 -9.792 19.840 30 1HG GLU 4 1HG GLU 4 -11.914 -7.491 20.272 31 2HG GLU 4 2HG GLU 4 -10.964 -7.511 18.786 32 H TYR 5 H TYR 5 -9.781 -8.678 16.386 33 HA TYR 5 HA TYR 5 -7.789 -10.686 17.337 34 1HB TYR 5 1HB TYR 5 -6.499 -9.910 15.398 35 2HB TYR 5 2HB TYR 5 -8.144 -10.301 14.903 36 HD1 TYR 5 HD1 TYR 5 -9.745 -8.537 14.323 37 HD2 TYR 5 HD2 TYR 5 -5.718 -7.600 15.483 38 HE1 TYR 5 HE1 TYR 5 -10.032 -6.233 13.453 39 HE2 TYR 5 HE2 TYR 5 -6.003 -5.295 14.612 40 HH TYR 5 HH TYR 5 -8.889 -4.351 12.828 41 H LEU 6 H LEU 6 -5.764 -9.963 18.214 42 HA LEU 6 HA LEU 6 -5.510 -7.080 18.915 43 1HB LEU 6 1HB LEU 6 -6.793 -8.040 20.724 44 2HB LEU 6 2HB LEU 6 -5.715 -9.430 20.820 45 HG LEU 6 HG LEU 6 -3.986 -8.178 21.802 46 1HD1 LEU 6 1HD1 LEU 6 -5.364 -5.853 20.506 47 2HD1 LEU 6 2HD1 LEU 6 -4.370 -5.560 21.934 48 3HD1 LEU 6 3HD1 LEU 6 -3.654 -6.284 20.496 49 1HD2 LEU 6 1HD2 LEU 6 -6.627 -7.938 22.854 50 2HD2 LEU 6 2HD2 LEU 6 -5.100 -7.984 23.733 51 3HD2 LEU 6 3HD2 LEU 6 -5.763 -6.440 23.198 52 H ASN 7 H ASN 7 -3.401 -6.507 18.558 53 HA ASN 7 HA ASN 7 -1.364 -8.345 17.773 54 1HB ASN 7 1HB ASN 7 -1.466 -5.964 17.177 55 2HB ASN 7 2HB ASN 7 -1.226 -5.517 18.863 56 2HD2 ASN 7 2HD2 ASN 7 0.725 -4.412 17.547 57 1HD2 ASN 7 1HD2 ASN 7 2.154 -5.323 17.507 58 H TYR 8 H TYR 8 -0.214 -9.721 19.061 59 HA TYR 8 HA TYR 8 -0.338 -9.755 21.917 60 1HB TYR 8 1HB TYR 8 0.199 -11.745 20.708 61 2HB TYR 8 2HB TYR 8 1.506 -10.945 19.833 62 HD1 TYR 8 HD1 TYR 8 3.625 -10.371 20.979 63 HD2 TYR 8 HD2 TYR 8 0.506 -12.557 22.965 64 HE1 TYR 8 HE1 TYR 8 5.224 -11.039 22.753 65 HE2 TYR 8 HE2 TYR 8 2.105 -13.226 24.739 66 HH TYR 8 HH TYR 8 4.197 -13.128 25.457 67 H GLU 9 H GLU 9 2.002 -8.322 19.654 68 HA GLU 9 HA GLU 9 4.042 -7.627 21.506 69 1HB GLU 9 1HB GLU 9 3.367 -7.222 18.797 70 2HB GLU 9 2HB GLU 9 3.585 -5.607 19.472 71 1HG GLU 9 1HG GLU 9 5.686 -7.074 20.569 72 2HG GLU 9 2HG GLU 9 5.582 -7.666 18.911 73 H THR 10 H THR 10 0.957 -6.070 20.733 74 HA THR 10 HA THR 10 1.407 -3.579 22.076 75 HB THR 10 HB THR 10 -1.140 -5.187 21.672 76 HG1 THR 10 HG1 THR 10 0.458 -4.408 19.874 77 1HG2 THR 10 1HG2 THR 10 -0.623 -2.244 22.173 78 2HG2 THR 10 2HG2 THR 10 -2.176 -2.895 21.646 79 3HG2 THR 10 3HG2 THR 10 -1.511 -3.359 23.212 80 H LEU 11 H LEU 11 0.172 -6.719 23.218 81 HA LEU 11 HA LEU 11 -0.575 -5.902 25.858 82 1HB LEU 11 1HB LEU 11 -1.356 -7.991 25.105 83 2HB LEU 11 2HB LEU 11 0.223 -8.459 24.476 84 HG LEU 11 HG LEU 11 1.090 -8.775 26.718 85 1HD1 LEU 11 1HD1 LEU 11 -0.372 -6.827 27.614 86 2HD1 LEU 11 2HD1 LEU 11 -1.613 -8.057 27.847 87 3HD1 LEU 11 3HD1 LEU 11 -0.072 -8.191 28.692 88 1HD2 LEU 11 1HD2 LEU 11 -0.531 -10.494 25.591 89 2HD2 LEU 11 2HD2 LEU 11 -0.101 -10.714 27.288 90 3HD2 LEU 11 3HD2 LEU 11 -1.655 -10.000 26.857 91 H ASP 12 H ASP 12 2.475 -7.222 24.550 92 HA ASP 12 HA ASP 12 3.867 -7.091 27.109 93 1HB ASP 12 1HB ASP 12 4.210 -8.151 24.478 94 2HB ASP 12 2HB ASP 12 5.617 -7.150 24.838 95 H ASP 13 H ASP 13 4.273 -5.279 24.031 96 HA ASP 13 HA ASP 13 6.122 -3.359 24.798 97 1HB ASP 13 1HB ASP 13 5.280 -3.425 22.564 98 2HB ASP 13 2HB ASP 13 3.616 -3.215 23.108 99 H GLN 14 H GLN 14 2.577 -3.151 25.289 100 HA GLN 14 HA GLN 14 2.738 -0.690 26.830 101 1HB GLN 14 1HB GLN 14 0.815 -2.156 25.497 102 2HB GLN 14 2HB GLN 14 0.402 -2.449 27.187 103 1HG GLN 14 1HG GLN 14 0.548 0.058 27.548 104 2HG GLN 14 2HG GLN 14 0.676 0.229 25.797 105 2HE2 GLN 14 2HE2 GLN 14 -1.182 -0.970 24.548 106 1HE2 GLN 14 1HE2 GLN 14 -2.731 -0.879 25.237 107 H GLY 15 H GLY 15 2.991 -4.097 27.555 108 1HA GLY 15 1HA GLY 15 3.782 -3.524 30.296 109 2HA GLY 15 2HA GLY 15 3.664 -5.125 29.569 110 H TRP 16 H TRP 16 0.901 -4.839 28.710 111 HA TRP 16 HA TRP 16 -0.678 -4.277 31.133 112 1HB TRP 16 1HB TRP 16 -1.047 -4.678 28.262 113 2HB TRP 16 2HB TRP 16 -2.277 -5.516 29.208 114 HD1 TRP 16 HD1 TRP 16 -4.221 -3.835 28.697 115 HE1 TRP 16 HE1 TRP 16 -4.686 -1.407 29.428 116 HE3 TRP 16 HE3 TRP 16 0.357 -2.590 30.583 117 HZ2 TRP 16 HZ2 TRP 16 -3.298 0.776 30.650 118 HZ3 TRP 16 HZ3 TRP 16 0.759 -0.333 31.523 119 HH2 TRP 16 HH2 TRP 16 -1.060 1.351 31.559 120 H ASP 17 H ASP 17 -2.483 -6.156 31.463 121 HA ASP 17 HA ASP 17 -0.960 -8.522 32.331 122 1HB ASP 17 1HB ASP 17 -3.597 -7.241 32.777 123 2HB ASP 17 2HB ASP 17 -3.579 -8.999 32.927 124 H MET 18 H MET 18 -2.323 -10.698 31.969 125 HA MET 18 HA MET 18 -2.284 -11.214 29.109 126 1HB MET 18 1HB MET 18 -1.624 -12.756 31.011 127 2HB MET 18 2HB MET 18 -3.342 -12.926 31.375 128 1HG MET 18 1HG MET 18 -3.245 -14.663 29.905 129 2HG MET 18 2HG MET 18 -3.322 -13.396 28.679 130 1HE MET 18 1HE MET 18 -1.941 -16.248 29.957 131 2HE MET 18 2HE MET 18 -1.711 -16.466 28.216 132 3HE MET 18 3HE MET 18 -0.323 -16.495 29.301 133 H ASP 19 H ASP 19 -4.899 -11.401 31.566 134 HA ASP 19 HA ASP 19 -6.846 -10.672 29.411 135 1HB ASP 19 1HB ASP 19 -6.955 -12.976 31.384 136 2HB ASP 19 2HB ASP 19 -8.322 -12.476 30.390 137 H ASP 20 H ASP 20 -5.565 -9.791 32.285 138 HA ASP 20 HA ASP 20 -7.995 -9.228 33.816 139 1HB ASP 20 1HB ASP 20 -5.718 -9.708 34.757 140 2HB ASP 20 2HB ASP 20 -5.166 -8.168 34.098 141 H ASP 21 H ASP 21 -5.643 -7.258 31.962 142 HA ASP 21 HA ASP 21 -7.203 -4.811 32.315 143 1HB ASP 21 1HB ASP 21 -4.683 -5.716 31.012 144 2HB ASP 21 2HB ASP 21 -5.420 -4.248 30.370 145 H ASP 22 H ASP 22 -7.872 -7.481 30.549 146 HA ASP 22 HA ASP 22 -9.024 -7.885 28.512 147 1HB ASP 22 1HB ASP 22 -10.222 -5.272 29.489 148 2HB ASP 22 2HB ASP 22 -11.008 -6.413 28.397 149 H LEU 23 H LEU 23 -6.612 -6.907 27.775 150 HA LEU 23 HA LEU 23 -6.147 -4.522 26.516 151 1HB LEU 23 1HB LEU 23 -5.741 -7.274 25.310 152 2HB LEU 23 2HB LEU 23 -4.806 -5.831 24.925 153 HG LEU 23 HG LEU 23 -4.793 -6.138 27.760 154 1HD1 LEU 23 1HD1 LEU 23 -4.774 -8.665 26.264 155 2HD1 LEU 23 2HD1 LEU 23 -3.357 -8.454 27.292 156 3HD1 LEU 23 3HD1 LEU 23 -4.974 -8.388 27.994 157 1HD2 LEU 23 1HD2 LEU 23 -3.028 -5.644 25.584 158 2HD2 LEU 23 2HD2 LEU 23 -2.707 -5.424 27.304 159 3HD2 LEU 23 3HD2 LEU 23 -2.332 -6.962 26.526 160 H PHE 24 H PHE 24 -7.883 -7.219 24.908 161 HA PHE 24 HA PHE 24 -8.589 -6.095 22.486 162 1HB PHE 24 1HB PHE 24 -10.027 -7.842 24.476 163 2HB PHE 24 2HB PHE 24 -10.823 -7.391 22.970 164 HD1 PHE 24 HD1 PHE 24 -9.775 -7.996 20.773 165 HD2 PHE 24 HD2 PHE 24 -8.244 -9.435 24.521 166 HE1 PHE 24 HE1 PHE 24 -8.505 -9.760 19.579 167 HE2 PHE 24 HE2 PHE 24 -6.976 -11.198 23.326 168 HZ PHE 24 HZ PHE 24 -7.107 -11.361 20.855 169 H GLU 25 H GLU 25 -9.770 -5.246 25.666 170 HA GLU 25 HA GLU 25 -11.879 -3.474 24.543 171 1HB GLU 25 1HB GLU 25 -11.499 -5.044 26.866 172 2HB GLU 25 2HB GLU 25 -11.525 -3.366 27.408 173 1HG GLU 25 1HG GLU 25 -13.791 -3.651 27.346 174 2HG GLU 25 2HG GLU 25 -13.583 -3.344 25.622 175 H LYS 26 H LYS 26 -8.964 -3.239 26.609 176 HA LYS 26 HA LYS 26 -9.075 -0.350 26.822 177 1HB LYS 26 1HB LYS 26 -7.743 -2.476 28.004 178 2HB LYS 26 2HB LYS 26 -6.461 -1.648 27.120 179 1HG LYS 26 1HG LYS 26 -6.452 0.054 28.600 180 2HG LYS 26 2HG LYS 26 -8.197 0.263 28.445 181 1HD LYS 26 1HD LYS 26 -8.352 -1.860 29.943 182 2HD LYS 26 2HD LYS 26 -6.672 -1.510 30.345 183 1HE LYS 26 1HE LYS 26 -7.283 0.194 31.718 184 2HE LYS 26 2HE LYS 26 -8.346 0.888 30.479 185 1HZ LYS 26 1HZ LYS 26 -9.203 -1.646 31.620 186 2HZ LYS 26 2HZ LYS 26 -9.252 -0.325 32.684 187 3HZ LYS 26 3HZ LYS 26 -10.119 -0.272 31.225 188 H ALA 27 H ALA 27 -7.880 -2.547 24.404 189 HA ALA 27 HA ALA 27 -5.885 -0.834 23.213 190 1HB ALA 27 1HB ALA 27 -6.601 -2.442 21.208 191 2HB ALA 27 2HB ALA 27 -7.466 -3.275 22.500 192 3HB ALA 27 3HB ALA 27 -5.717 -3.069 22.600 193 H ALA 28 H ALA 28 -9.284 -0.624 23.325 194 HA ALA 28 HA ALA 28 -9.618 0.676 20.703 195 1HB ALA 28 1HB ALA 28 -11.307 -0.097 23.063 196 2HB ALA 28 2HB ALA 28 -11.490 -0.551 21.369 197 3HB ALA 28 3HB ALA 28 -11.947 1.066 21.903 198 H ASP 29 H ASP 29 -8.808 1.603 23.936 199 HA ASP 29 HA ASP 29 -9.714 4.395 23.632 200 1HB ASP 29 1HB ASP 29 -9.125 2.580 25.714 201 2HB ASP 29 2HB ASP 29 -7.916 3.857 25.838 202 H ALA 30 H ALA 30 -6.882 2.523 22.963 203 HA ALA 30 HA ALA 30 -5.076 4.871 23.040 204 1HB ALA 30 1HB ALA 30 -3.415 3.273 23.070 205 2HB ALA 30 2HB ALA 30 -4.272 2.217 21.947 206 3HB ALA 30 3HB ALA 30 -4.746 2.268 23.646 207 H GLY 31 H GLY 31 -7.001 3.086 20.762 208 1HA GLY 31 1HA GLY 31 -6.335 4.951 18.633 209 2HA GLY 31 2HA GLY 31 -7.417 3.566 18.490 210 H LEU 32 H LEU 32 -5.503 1.602 19.416 211 HA LEU 32 HA LEU 32 -3.004 1.583 18.125 212 1HB LEU 32 1HB LEU 32 -5.025 -0.620 18.647 213 2HB LEU 32 2HB LEU 32 -3.340 -0.913 18.214 214 HG LEU 32 HG LEU 32 -4.205 0.748 20.598 215 1HD1 LEU 32 1HD1 LEU 32 -3.559 -2.181 20.303 216 2HD1 LEU 32 2HD1 LEU 32 -3.256 -1.342 21.826 217 3HD1 LEU 32 3HD1 LEU 32 -4.893 -1.429 21.176 218 1HD2 LEU 32 1HD2 LEU 32 -1.957 1.227 19.649 219 2HD2 LEU 32 2HD2 LEU 32 -1.855 0.513 21.257 220 3HD2 LEU 32 3HD2 LEU 32 -1.536 -0.475 19.832 221 H ASP 33 H ASP 33 -2.560 -0.018 16.184 222 HA ASP 33 HA ASP 33 -3.986 1.040 13.860 223 1HB ASP 33 1HB ASP 33 -1.953 -1.201 13.991 224 2HB ASP 33 2HB ASP 33 -2.253 -0.092 12.652 225 H GLY 34 H GLY 34 -5.163 -0.280 12.324 226 1HA GLY 34 1HA GLY 34 -6.782 -1.892 11.779 227 2HA GLY 34 2HA GLY 34 -6.907 -2.234 13.505 228 H GLU 35 H GLU 35 -3.782 -2.443 12.010 229 HA GLU 35 HA GLU 35 -3.926 -5.281 11.344 230 1HB GLU 35 1HB GLU 35 -1.592 -3.378 11.754 231 2HB GLU 35 2HB GLU 35 -1.506 -4.946 10.951 232 1HG GLU 35 1HG GLU 35 -3.616 -3.632 9.671 233 2HG GLU 35 2HG GLU 35 -2.393 -2.380 9.892 234 H ASP 36 H ASP 36 -4.000 -3.768 14.273 235 HA ASP 36 HA ASP 36 -2.456 -5.966 15.615 236 1HB ASP 36 1HB ASP 36 -2.793 -3.015 16.201 237 2HB ASP 36 2HB ASP 36 -2.213 -4.141 17.428 238 H TYR 37 H TYR 37 -5.091 -3.584 16.177 239 HA TYR 37 HA TYR 37 -6.591 -5.750 17.607 240 1HB TYR 37 1HB TYR 37 -5.709 -4.385 19.331 241 2HB TYR 37 2HB TYR 37 -5.959 -2.906 18.403 242 HD1 TYR 37 HD1 TYR 37 -8.091 -5.823 19.452 243 HD2 TYR 37 HD2 TYR 37 -7.655 -1.554 19.247 244 HE1 TYR 37 HE1 TYR 37 -10.324 -5.544 20.493 245 HE2 TYR 37 HE2 TYR 37 -9.888 -1.276 20.289 246 HH TYR 37 HH TYR 37 -11.440 -3.554 21.942 247 H GLY 38 H GLY 38 -8.864 -5.663 17.317 248 1HA GLY 38 1HA GLY 38 -9.756 -4.145 14.961 249 2HA GLY 38 2HA GLY 38 -10.555 -3.709 16.472 250 H THR 39 H THR 39 -12.187 -4.713 14.571 251 HA THR 39 HA THR 39 -12.961 -7.340 15.715 252 HB THR 39 HB THR 39 -14.534 -5.893 13.623 253 HG1 THR 39 HG1 THR 39 -14.295 -4.112 14.709 254 1HG2 THR 39 1HG2 THR 39 -15.045 -7.996 15.268 255 2HG2 THR 39 2HG2 THR 39 -15.669 -6.666 16.245 256 3HG2 THR 39 3HG2 THR 39 -16.298 -6.938 14.620 257 H MET 40 H MET 40 -12.529 -9.209 14.610 258 HA MET 40 HA MET 40 -11.673 -8.995 11.752 259 1HB MET 40 1HB MET 40 -10.576 -10.183 14.027 260 2HB MET 40 2HB MET 40 -11.265 -11.538 13.134 261 1HG MET 40 1HG MET 40 -10.108 -10.468 11.064 262 2HG MET 40 2HG MET 40 -9.153 -9.577 12.249 263 1HE MET 40 1HE MET 40 -10.709 -12.751 11.347 264 2HE MET 40 2HE MET 40 -9.305 -13.163 10.366 265 3HE MET 40 3HE MET 40 -9.639 -14.070 11.838 266 H GLU 41 H GLU 41 -13.031 -9.834 10.215 267 HA GLU 41 HA GLU 41 -15.305 -11.559 11.121 268 1HB GLU 41 1HB GLU 41 -15.558 -9.282 9.918 269 2HB GLU 41 2HB GLU 41 -14.987 -10.123 8.477 270 1HG GLU 41 1HG GLU 41 -17.247 -10.493 8.224 271 2HG GLU 41 2HG GLU 41 -16.863 -11.879 9.244 272 H VAL 42 H VAL 42 -14.983 -13.716 10.706 273 HA VAL 42 HA VAL 42 -13.373 -14.448 8.277 274 HB VAL 42 HB VAL 42 -13.627 -15.743 11.008 275 1HG1 VAL 42 1HG1 VAL 42 -12.800 -16.811 8.405 276 2HG1 VAL 42 2HG1 VAL 42 -11.557 -16.984 9.643 277 3HG1 VAL 42 3HG1 VAL 42 -13.161 -17.667 9.905 278 1HG2 VAL 42 1HG2 VAL 42 -11.869 -13.765 9.885 279 2HG2 VAL 42 2HG2 VAL 42 -11.854 -14.450 11.510 280 3HG2 VAL 42 3HG2 VAL 42 -10.946 -15.230 10.214 281 H ALA 43 H ALA 43 -14.554 -15.546 6.771 282 HA ALA 43 HA ALA 43 -17.285 -16.331 7.152 283 1HB ALA 43 1HB ALA 43 -15.261 -16.239 5.104 284 2HB ALA 43 2HB ALA 43 -16.088 -17.795 5.028 285 3HB ALA 43 3HB ALA 43 -17.014 -16.299 4.908 286 H GLU 44 H GLU 44 -18.126 -18.244 7.938 287 HA GLU 44 HA GLU 44 -16.610 -20.109 9.416 288 1HB GLU 44 1HB GLU 44 -19.152 -19.611 9.275 289 2HB GLU 44 2HB GLU 44 -19.164 -20.769 7.945 290 1HG GLU 44 1HG GLU 44 -18.381 -22.536 9.358 291 2HG GLU 44 2HG GLU 44 -17.990 -21.411 10.659 292 H GLY 45 H GLY 45 -14.984 -21.348 8.575 293 1HA GLY 45 1HA GLY 45 -15.546 -22.816 6.032 294 2HA GLY 45 2HA GLY 45 -14.509 -23.429 7.320 295 H GLU 46 H GLU 46 -13.762 -20.274 7.297 296 HA GLU 46 HA GLU 46 -11.768 -20.518 5.066 297 1HB GLU 46 1HB GLU 46 -13.667 -18.610 5.584 298 2HB GLU 46 2HB GLU 46 -12.250 -17.908 6.366 299 1HG GLU 46 1HG GLU 46 -10.967 -18.340 4.233 300 2HG GLU 46 2HG GLU 46 -12.494 -18.800 3.480 301 H TYR 47 H TYR 47 -9.576 -19.818 5.520 302 HA TYR 47 HA TYR 47 -8.655 -20.479 8.213 303 1HB TYR 47 1HB TYR 47 -7.202 -19.332 5.806 304 2HB TYR 47 2HB TYR 47 -6.457 -20.145 7.181 305 HD1 TYR 47 HD1 TYR 47 -7.115 -22.576 7.655 306 HD2 TYR 47 HD2 TYR 47 -8.025 -20.567 3.970 307 HE1 TYR 47 HE1 TYR 47 -7.461 -24.768 6.548 308 HE2 TYR 47 HE2 TYR 47 -8.374 -22.758 2.862 309 HH TYR 47 HH TYR 47 -7.339 -25.647 4.137 310 H ILE 48 H ILE 48 -8.126 -19.031 9.826 311 HA ILE 48 HA ILE 48 -9.034 -16.395 9.950 312 HB ILE 48 HB ILE 48 -6.650 -17.769 11.222 313 1HG1 ILE 48 1HG1 ILE 48 -8.922 -18.717 11.648 314 2HG1 ILE 48 2HG1 ILE 48 -8.172 -18.068 13.106 315 1HG2 ILE 48 1HG2 ILE 48 -7.758 -15.014 11.540 316 2HG2 ILE 48 2HG2 ILE 48 -7.255 -15.866 13.001 317 3HG2 ILE 48 3HG2 ILE 48 -6.095 -15.581 11.702 318 1HD1 ILE 48 1HD1 ILE 48 -9.427 -15.934 12.747 319 2HD1 ILE 48 2HD1 ILE 48 -10.245 -16.685 11.376 320 3HD1 ILE 48 3HD1 ILE 48 -10.492 -17.317 13.003 321 H LEU 49 H LEU 49 -5.602 -17.294 9.371 322 HA LEU 49 HA LEU 49 -4.515 -14.822 8.767 323 1HB LEU 49 1HB LEU 49 -3.127 -16.745 8.793 324 2HB LEU 49 2HB LEU 49 -4.124 -17.582 7.603 325 HG LEU 49 HG LEU 49 -2.918 -14.995 6.754 326 1HD1 LEU 49 1HD1 LEU 49 -1.349 -17.240 7.780 327 2HD1 LEU 49 2HD1 LEU 49 -0.964 -16.863 6.101 328 3HD1 LEU 49 3HD1 LEU 49 -0.823 -15.616 7.339 329 1HD2 LEU 49 1HD2 LEU 49 -4.136 -17.322 5.602 330 2HD2 LEU 49 2HD2 LEU 49 -3.641 -15.833 4.795 331 3HD2 LEU 49 3HD2 LEU 49 -2.500 -17.168 4.960 332 H GLU 50 H GLU 50 -6.389 -16.890 6.538 333 HA GLU 50 HA GLU 50 -6.130 -15.042 4.297 334 1HB GLU 50 1HB GLU 50 -6.601 -17.650 4.506 335 2HB GLU 50 2HB GLU 50 -8.282 -17.115 4.538 336 1HG GLU 50 1HG GLU 50 -7.041 -15.640 2.475 337 2HG GLU 50 2HG GLU 50 -6.479 -17.300 2.284 338 H ALA 51 H ALA 51 -8.786 -15.896 6.547 339 HA ALA 51 HA ALA 51 -10.778 -14.187 5.503 340 1HB ALA 51 1HB ALA 51 -10.096 -15.301 8.214 341 2HB ALA 51 2HB ALA 51 -11.416 -15.754 7.136 342 3HB ALA 51 3HB ALA 51 -11.485 -14.232 8.024 343 H ALA 52 H ALA 52 -8.254 -13.498 7.904 344 HA ALA 52 HA ALA 52 -9.093 -10.712 8.235 345 1HB ALA 52 1HB ALA 52 -6.427 -11.234 9.140 346 2HB ALA 52 2HB ALA 52 -7.417 -12.646 9.504 347 3HB ALA 52 3HB ALA 52 -7.889 -11.056 10.108 348 H GLU 53 H GLU 53 -6.885 -12.477 6.170 349 HA GLU 53 HA GLU 53 -5.148 -10.315 5.426 350 1HB GLU 53 1HB GLU 53 -4.512 -12.552 4.919 351 2HB GLU 53 2HB GLU 53 -6.062 -12.901 4.156 352 1HG GLU 53 1HG GLU 53 -4.853 -10.651 2.833 353 2HG GLU 53 2HG GLU 53 -3.684 -11.968 2.909 354 H ALA 54 H ALA 54 -8.350 -11.312 4.361 355 HA ALA 54 HA ALA 54 -8.499 -9.766 1.950 356 1HB ALA 54 1HB ALA 54 -10.073 -11.517 2.386 357 2HB ALA 54 2HB ALA 54 -10.512 -10.825 3.947 358 3HB ALA 54 3HB ALA 54 -10.999 -10.019 2.456 359 H GLN 55 H GLN 55 -8.568 -8.859 5.291 360 HA GLN 55 HA GLN 55 -9.858 -6.241 4.694 361 1HB GLN 55 1HB GLN 55 -9.063 -7.764 7.186 362 2HB GLN 55 2HB GLN 55 -9.628 -6.094 7.252 363 1HG GLN 55 1HG GLN 55 -11.154 -8.421 6.041 364 2HG GLN 55 2HG GLN 55 -11.493 -7.679 7.605 365 2HE2 GLN 55 2HE2 GLN 55 -11.094 -4.925 6.859 366 1HE2 GLN 55 1HE2 GLN 55 -12.321 -4.490 5.769 367 H GLY 56 H GLY 56 -6.739 -7.680 5.307 368 1HA GLY 56 1HA GLY 56 -5.543 -4.944 5.499 369 2HA GLY 56 2HA GLY 56 -4.846 -6.192 4.466 370 H TYR 57 H TYR 57 -6.105 -7.589 7.255 371 HA TYR 57 HA TYR 57 -4.072 -7.083 9.202 372 1HB TYR 57 1HB TYR 57 -5.807 -9.524 8.698 373 2HB TYR 57 2HB TYR 57 -4.996 -9.144 10.217 374 HD1 TYR 57 HD1 TYR 57 -5.391 -6.146 10.216 375 HD2 TYR 57 HD2 TYR 57 -8.094 -9.366 9.341 376 HE1 TYR 57 HE1 TYR 57 -7.309 -4.720 10.878 377 HE2 TYR 57 HE2 TYR 57 -10.006 -7.948 10.004 378 HH TYR 57 HH TYR 57 -9.577 -4.529 10.775 379 H ASP 58 H ASP 58 -1.974 -7.785 9.268 380 HA ASP 58 HA ASP 58 -1.085 -9.807 7.259 381 1HB ASP 58 1HB ASP 58 1.095 -8.791 7.605 382 2HB ASP 58 2HB ASP 58 -0.085 -7.494 7.421 383 H TRP 59 H TRP 59 -0.131 -11.743 7.930 384 HA TRP 59 HA TRP 59 0.202 -12.161 10.883 385 1HB TRP 59 1HB TRP 59 -0.969 -14.093 8.857 386 2HB TRP 59 2HB TRP 59 -0.872 -14.335 10.601 387 HD1 TRP 59 HD1 TRP 59 -2.358 -11.708 8.176 388 HE1 TRP 59 HE1 TRP 59 -4.601 -10.903 9.152 389 HE3 TRP 59 HE3 TRP 59 -2.446 -14.392 12.519 390 HZ2 TRP 59 HZ2 TRP 59 -6.222 -11.341 11.464 391 HZ3 TRP 59 HZ3 TRP 59 -4.354 -14.181 14.087 392 HH2 TRP 59 HH2 TRP 59 -6.241 -12.659 13.565 393 HA PRO 60 HA PRO 60 4.123 -13.740 9.620 394 1HB PRO 60 1HB PRO 60 4.762 -15.077 11.919 395 2HB PRO 60 2HB PRO 60 4.828 -13.310 11.782 396 1HG PRO 60 1HG PRO 60 2.745 -15.045 13.016 397 2HG PRO 60 2HG PRO 60 3.364 -13.476 13.548 398 1HD PRO 60 1HD PRO 60 0.981 -13.825 12.237 399 2HD PRO 60 2HD PRO 60 1.919 -12.318 12.203 400 H PHE 61 H PHE 61 4.730 -15.632 8.558 401 HA PHE 61 HA PHE 61 3.651 -18.243 9.388 402 1HB PHE 61 1HB PHE 61 2.601 -18.542 7.093 403 2HB PHE 61 2HB PHE 61 1.786 -17.370 8.129 404 HD1 PHE 61 HD1 PHE 61 4.517 -17.563 5.563 405 HD2 PHE 61 HD2 PHE 61 1.356 -15.232 7.299 406 HE1 PHE 61 HE1 PHE 61 4.880 -15.800 3.856 407 HE2 PHE 61 HE2 PHE 61 1.718 -13.468 5.593 408 HZ PHE 61 HZ PHE 61 3.480 -13.753 3.871 409 H SER 62 H SER 62 4.760 -19.985 8.323 410 HA SER 62 HA SER 62 6.963 -19.236 6.455 411 1HB SER 62 1HB SER 62 8.592 -20.261 7.884 412 2HB SER 62 2HB SER 62 7.622 -19.228 8.934 413 HG SER 62 HG SER 62 7.968 -21.885 9.022 414 H CYS 63 H CYS 63 5.711 -22.046 8.282 415 HA CYS 63 HA CYS 63 6.296 -23.885 6.113 416 1HB CYS 63 1HB CYS 63 5.755 -25.474 7.723 417 2HB CYS 63 2HB CYS 63 6.166 -24.101 8.744 418 H ARG 64 H ARG 64 3.295 -22.387 7.370 419 HA ARG 64 HA ARG 64 1.191 -22.101 6.326 420 1HB ARG 64 1HB ARG 64 3.176 -21.700 4.485 421 2HB ARG 64 2HB ARG 64 2.216 -22.950 3.692 422 1HG ARG 64 1HG ARG 64 0.658 -21.421 3.147 423 2HG ARG 64 2HG ARG 64 0.429 -21.035 4.852 424 1HD ARG 64 1HD ARG 64 1.129 -19.042 3.476 425 2HD ARG 64 2HD ARG 64 2.288 -19.424 4.763 426 HE ARG 64 HE ARG 64 3.837 -19.964 3.061 427 1HH1 ARG 64 1HH1 ARG 64 2.704 -22.321 1.908 428 2HH1 ARG 64 2HH1 ARG 64 2.226 -21.846 0.312 429 1HH2 ARG 64 1HH2 ARG 64 2.313 -18.450 1.010 430 2HH2 ARG 64 2HH2 ARG 64 2.005 -19.654 -0.196 431 H ALA 65 H ALA 65 2.043 -24.856 7.248 432 HA ALA 65 HA ALA 65 0.007 -26.396 5.725 433 1HB ALA 65 1HB ALA 65 1.679 -28.345 5.997 434 2HB ALA 65 2HB ALA 65 2.872 -27.104 6.377 435 3HB ALA 65 3HB ALA 65 2.081 -27.113 4.801 436 H GLY 66 H GLY 66 0.942 -25.208 8.677 437 1HA GLY 66 1HA GLY 66 -0.785 -27.099 10.105 438 2HA GLY 66 2HA GLY 66 -0.043 -25.654 10.790 439 H ALA 67 H ALA 67 2.680 -26.278 10.056 440 HA ALA 67 HA ALA 67 3.155 -28.642 11.838 441 1HB ALA 67 1HB ALA 67 3.632 -29.335 9.622 442 2HB ALA 67 2HB ALA 67 4.399 -27.798 9.221 443 3HB ALA 67 3HB ALA 67 5.209 -28.932 10.304 444 H CYS 68 H CYS 68 3.478 -25.356 11.773 445 HA CYS 68 HA CYS 68 5.885 -25.510 13.526 446 1HB CYS 68 1HB CYS 68 7.112 -24.022 12.243 447 2HB CYS 68 2HB CYS 68 6.200 -24.832 10.976 448 H ALA 69 H ALA 69 6.174 -23.072 14.492 449 HA ALA 69 HA ALA 69 3.433 -22.263 15.417 450 1HB ALA 69 1HB ALA 69 5.969 -22.941 16.725 451 2HB ALA 69 2HB ALA 69 4.335 -22.920 17.391 452 3HB ALA 69 3HB ALA 69 5.275 -21.429 17.313 453 H ASN 70 H ASN 70 5.670 -21.186 13.333 454 HA ASN 70 HA ASN 70 6.419 -18.576 14.121 455 1HB ASN 70 1HB ASN 70 5.684 -19.756 11.423 456 2HB ASN 70 2HB ASN 70 6.530 -18.223 11.633 457 2HD2 ASN 70 2HD2 ASN 70 8.757 -18.289 12.363 458 1HD2 ASN 70 1HD2 ASN 70 9.637 -19.739 12.431 459 H CYS 71 H CYS 71 3.360 -19.778 12.785 460 HA CYS 71 HA CYS 71 2.251 -17.009 12.758 461 1HB CYS 71 1HB CYS 71 0.628 -17.924 11.286 462 2HB CYS 71 2HB CYS 71 2.109 -18.776 10.859 463 H ALA 72 H ALA 72 2.621 -19.391 14.986 464 HA ALA 72 HA ALA 72 0.224 -20.097 16.150 465 1HB ALA 72 1HB ALA 72 2.755 -20.355 16.821 466 2HB ALA 72 2HB ALA 72 1.513 -20.438 18.070 467 3HB ALA 72 3HB ALA 72 2.430 -18.950 17.837 468 H SER 73 H SER 73 -1.158 -19.153 17.745 469 HA SER 73 HA SER 73 -1.031 -16.169 18.029 470 1HB SER 73 1HB SER 73 -3.300 -16.013 17.382 471 2HB SER 73 2HB SER 73 -2.639 -17.201 16.259 472 HG SER 73 HG SER 73 -4.150 -18.438 17.002 473 H ILE 74 H ILE 74 -3.306 -15.916 19.614 474 HA ILE 74 HA ILE 74 -3.036 -17.829 21.872 475 HB ILE 74 HB ILE 74 -2.554 -14.836 22.024 476 1HG1 ILE 74 1HG1 ILE 74 -0.650 -16.244 21.186 477 2HG1 ILE 74 2HG1 ILE 74 -0.306 -15.439 22.713 478 1HG2 ILE 74 1HG2 ILE 74 -3.857 -15.886 23.947 479 2HG2 ILE 74 2HG2 ILE 74 -2.417 -16.849 24.277 480 3HG2 ILE 74 3HG2 ILE 74 -2.349 -15.090 24.393 481 1HD1 ILE 74 1HD1 ILE 74 -1.388 -18.261 22.585 482 2HD1 ILE 74 2HD1 ILE 74 0.339 -17.909 22.584 483 3HD1 ILE 74 3HD1 ILE 74 -0.653 -17.442 23.963 484 H VAL 75 H VAL 75 -5.281 -18.188 20.854 485 HA VAL 75 HA VAL 75 -7.404 -16.434 20.676 486 HB VAL 75 HB VAL 75 -7.656 -18.774 20.207 487 1HG1 VAL 75 1HG1 VAL 75 -6.545 -19.028 22.939 488 2HG1 VAL 75 2HG1 VAL 75 -7.766 -20.221 22.499 489 3HG1 VAL 75 3HG1 VAL 75 -6.301 -20.054 21.529 490 1HG2 VAL 75 1HG2 VAL 75 -9.302 -17.828 22.557 491 2HG2 VAL 75 2HG2 VAL 75 -9.760 -17.894 20.856 492 3HG2 VAL 75 3HG2 VAL 75 -9.603 -19.384 21.786 493 H LYS 76 H LYS 76 -8.196 -14.911 22.062 494 HA LYS 76 HA LYS 76 -7.537 -15.037 24.937 495 1HB LYS 76 1HB LYS 76 -7.452 -13.009 23.338 496 2HB LYS 76 2HB LYS 76 -9.211 -12.993 23.467 497 1HG LYS 76 1HG LYS 76 -7.864 -13.226 26.065 498 2HG LYS 76 2HG LYS 76 -7.473 -11.734 25.211 499 1HD LYS 76 1HD LYS 76 -9.961 -11.420 24.834 500 2HD LYS 76 2HD LYS 76 -10.225 -12.772 25.935 501 1HE LYS 76 1HE LYS 76 -8.821 -11.494 27.647 502 2HE LYS 76 2HE LYS 76 -8.940 -10.097 26.561 503 1HZ LYS 76 1HZ LYS 76 -11.470 -11.011 26.589 504 2HZ LYS 76 2HZ LYS 76 -10.988 -11.358 28.180 505 3HZ LYS 76 3HZ LYS 76 -10.899 -9.768 27.596 506 H GLU 77 H GLU 77 -10.143 -15.878 22.847 507 HA GLU 77 HA GLU 77 -11.733 -17.042 24.915 508 1HB GLU 77 1HB GLU 77 -11.786 -14.313 25.033 509 2HB GLU 77 2HB GLU 77 -13.167 -14.623 23.982 510 1HG GLU 77 1HG GLU 77 -13.072 -16.462 26.250 511 2HG GLU 77 2HG GLU 77 -13.165 -14.778 26.763 512 H GLY 78 H GLY 78 -13.104 -18.452 23.883 513 1HA GLY 78 1HA GLY 78 -13.775 -17.868 21.025 514 2HA GLY 78 2HA GLY 78 -14.925 -18.629 22.126 515 H GLU 79 H GLU 79 -14.591 -20.165 20.050 516 HA GLU 79 HA GLU 79 -12.484 -22.169 20.799 517 1HB GLU 79 1HB GLU 79 -14.692 -22.924 21.452 518 2HB GLU 79 2HB GLU 79 -15.355 -22.496 19.875 519 1HG GLU 79 1HG GLU 79 -14.983 -24.703 19.414 520 2HG GLU 79 2HG GLU 79 -13.333 -24.157 19.126 521 H ILE 80 H ILE 80 -11.255 -22.956 19.099 522 HA ILE 80 HA ILE 80 -11.938 -21.949 16.355 523 HB ILE 80 HB ILE 80 -9.330 -22.452 17.811 524 1HG1 ILE 80 1HG1 ILE 80 -10.100 -19.938 16.371 525 2HG1 ILE 80 2HG1 ILE 80 -10.819 -20.268 17.947 526 1HG2 ILE 80 1HG2 ILE 80 -9.924 -22.546 14.956 527 2HG2 ILE 80 2HG2 ILE 80 -8.752 -21.285 15.343 528 3HG2 ILE 80 3HG2 ILE 80 -8.432 -22.957 15.801 529 1HD1 ILE 80 1HD1 ILE 80 -8.528 -20.585 18.883 530 2HD1 ILE 80 2HD1 ILE 80 -7.854 -20.144 17.314 531 3HD1 ILE 80 3HD1 ILE 80 -8.775 -18.961 18.244 532 H ASP 81 H ASP 81 -12.246 -23.515 14.810 533 HA ASP 81 HA ASP 81 -12.037 -26.345 15.545 534 1HB ASP 81 1HB ASP 81 -13.373 -24.649 13.639 535 2HB ASP 81 2HB ASP 81 -12.571 -25.962 12.777 536 H MET 82 H MET 82 -10.285 -27.628 15.115 537 HA MET 82 HA MET 82 -8.224 -26.601 13.188 538 1HB MET 82 1HB MET 82 -7.795 -26.787 15.738 539 2HB MET 82 2HB MET 82 -7.778 -28.530 15.471 540 1HG MET 82 1HG MET 82 -5.670 -28.419 14.692 541 2HG MET 82 2HG MET 82 -6.162 -27.255 13.462 542 1HE MET 82 1HE MET 82 -3.467 -27.699 15.332 543 2HE MET 82 2HE MET 82 -3.304 -26.567 16.672 544 3HE MET 82 3HE MET 82 -4.432 -27.924 16.789 545 H ASP 83 H ASP 83 -7.180 -28.232 11.858 546 HA ASP 83 HA ASP 83 -8.918 -30.597 11.341 547 1HB ASP 83 1HB ASP 83 -6.685 -29.264 9.773 548 2HB ASP 83 2HB ASP 83 -7.673 -30.601 9.185 549 H MET 84 H MET 84 -7.240 -32.394 10.239 550 HA MET 84 HA MET 84 -5.987 -33.735 12.374 551 1HB MET 84 1HB MET 84 -6.459 -34.084 9.643 552 2HB MET 84 2HB MET 84 -4.703 -34.164 9.786 553 1HG MET 84 1HG MET 84 -4.810 -36.198 10.752 554 2HG MET 84 2HG MET 84 -5.973 -35.623 11.946 555 1HE MET 84 1HE MET 84 -5.282 -36.829 8.457 556 2HE MET 84 2HE MET 84 -6.838 -37.252 7.749 557 3HE MET 84 3HE MET 84 -6.410 -35.556 7.969 558 H GLN 85 H GLN 85 -4.106 -33.329 13.466 559 HA GLN 85 HA GLN 85 -1.725 -32.291 12.150 560 1HB GLN 85 1HB GLN 85 -1.755 -30.158 13.545 561 2HB GLN 85 2HB GLN 85 -2.955 -30.224 12.254 562 1HG GLN 85 1HG GLN 85 -4.380 -29.622 13.942 563 2HG GLN 85 2HG GLN 85 -4.379 -31.354 14.267 564 2HE2 GLN 85 2HE2 GLN 85 -4.411 -31.426 16.545 565 1HE2 GLN 85 1HE2 GLN 85 -3.270 -30.654 17.537 566 H GLN 86 H GLN 86 0.107 -32.241 13.640 567 HA GLN 86 HA GLN 86 -0.433 -33.563 16.281 568 1HB GLN 86 1HB GLN 86 1.419 -34.188 14.012 569 2HB GLN 86 2HB GLN 86 1.964 -34.549 15.649 570 1HG GLN 86 1HG GLN 86 0.132 -36.021 16.042 571 2HG GLN 86 2HG GLN 86 -0.736 -35.440 14.622 572 2HE2 GLN 86 2HE2 GLN 86 1.223 -35.525 12.636 573 1HE2 GLN 86 1HE2 GLN 86 1.773 -37.117 12.426 574 H ILE 87 H ILE 87 0.804 -30.856 14.729 575 HA ILE 87 HA ILE 87 3.159 -30.373 16.381 576 HB ILE 87 HB ILE 87 2.727 -29.497 14.067 577 1HG1 ILE 87 1HG1 ILE 87 3.559 -27.214 14.526 578 2HG1 ILE 87 2HG1 ILE 87 3.105 -27.393 16.221 579 1HG2 ILE 87 1HG2 ILE 87 0.311 -29.017 14.423 580 2HG2 ILE 87 2HG2 ILE 87 0.753 -27.702 15.513 581 3HG2 ILE 87 3HG2 ILE 87 1.180 -27.613 13.804 582 1HD1 ILE 87 1HD1 ILE 87 5.008 -29.282 14.814 583 2HD1 ILE 87 2HD1 ILE 87 5.549 -27.861 15.707 584 3HD1 ILE 87 3HD1 ILE 87 4.701 -29.160 16.546 585 H LEU 88 H LEU 88 -0.276 -29.794 16.712 586 HA LEU 88 HA LEU 88 0.282 -28.214 19.204 587 1HB LEU 88 1HB LEU 88 -0.767 -27.119 17.079 588 2HB LEU 88 2HB LEU 88 -2.225 -27.997 17.547 589 HG LEU 88 HG LEU 88 -1.144 -26.756 19.887 590 1HD1 LEU 88 1HD1 LEU 88 -1.373 -24.975 17.450 591 2HD1 LEU 88 2HD1 LEU 88 -1.464 -24.356 19.098 592 3HD1 LEU 88 3HD1 LEU 88 0.008 -25.147 18.534 593 1HD2 LEU 88 1HD2 LEU 88 -3.570 -27.369 19.010 594 2HD2 LEU 88 2HD2 LEU 88 -3.337 -26.039 20.146 595 3HD2 LEU 88 3HD2 LEU 88 -3.538 -25.705 18.426 596 H SER 89 H SER 89 -1.679 -28.349 20.741 597 HA SER 89 HA SER 89 -3.140 -30.939 20.574 598 1HB SER 89 1HB SER 89 -0.798 -30.390 22.143 599 2HB SER 89 2HB SER 89 -2.165 -30.607 23.237 600 HG SER 89 HG SER 89 -1.336 -32.369 21.176 601 H ASP 90 H ASP 90 -5.046 -30.947 21.939 602 HA ASP 90 HA ASP 90 -6.511 -28.577 22.171 603 1HB ASP 90 1HB ASP 90 -7.130 -31.087 22.447 604 2HB ASP 90 2HB ASP 90 -6.735 -30.843 24.148 605 H GLU 91 H GLU 91 -4.382 -30.074 24.597 606 HA GLU 91 HA GLU 91 -4.922 -28.335 26.777 607 1HB GLU 91 1HB GLU 91 -3.369 -30.504 26.310 608 2HB GLU 91 2HB GLU 91 -2.130 -29.248 26.300 609 1HG GLU 91 1HG GLU 91 -2.224 -29.079 28.544 610 2HG GLU 91 2HG GLU 91 -3.962 -28.784 28.480 611 H GLU 92 H GLU 92 -3.054 -27.841 23.853 612 HA GLU 92 HA GLU 92 -1.574 -25.523 24.814 613 1HB GLU 92 1HB GLU 92 -2.225 -26.628 22.063 614 2HB GLU 92 2HB GLU 92 -1.068 -25.329 22.361 615 1HG GLU 92 1HG GLU 92 -0.845 -27.980 23.785 616 2HG GLU 92 2HG GLU 92 -0.141 -27.740 22.187 617 H VAL 93 H VAL 93 -4.644 -26.048 23.114 618 HA VAL 93 HA VAL 93 -5.047 -23.207 22.543 619 HB VAL 93 HB VAL 93 -5.914 -25.282 21.287 620 1HG1 VAL 93 1HG1 VAL 93 -7.072 -25.765 23.828 621 2HG1 VAL 93 2HG1 VAL 93 -8.401 -25.373 22.738 622 3HG1 VAL 93 3HG1 VAL 93 -7.303 -26.697 22.351 623 1HG2 VAL 93 1HG2 VAL 93 -6.732 -22.788 21.183 624 2HG2 VAL 93 2HG2 VAL 93 -7.694 -24.049 20.412 625 3HG2 VAL 93 3HG2 VAL 93 -8.165 -23.421 21.993 626 H GLU 94 H GLU 94 -5.585 -25.306 25.240 627 HA GLU 94 HA GLU 94 -7.550 -23.420 26.463 628 1HB GLU 94 1HB GLU 94 -7.915 -25.924 26.340 629 2HB GLU 94 2HB GLU 94 -6.538 -26.113 27.426 630 1HG GLU 94 1HG GLU 94 -7.704 -24.629 29.074 631 2HG GLU 94 2HG GLU 94 -9.106 -24.605 28.006 632 H GLU 95 H GLU 95 -4.415 -25.006 27.128 633 HA GLU 95 HA GLU 95 -3.978 -23.348 29.528 634 1HB GLU 95 1HB GLU 95 -3.187 -25.851 28.575 635 2HB GLU 95 2HB GLU 95 -1.721 -24.878 28.474 636 1HG GLU 95 1HG GLU 95 -3.400 -24.736 30.959 637 2HG GLU 95 2HG GLU 95 -2.326 -26.116 30.725 638 H LYS 96 H LYS 96 -2.831 -23.541 26.176 639 HA LYS 96 HA LYS 96 -1.139 -21.114 26.661 640 1HB LYS 96 1HB LYS 96 -0.814 -23.631 25.258 641 2HB LYS 96 2HB LYS 96 -0.565 -22.276 24.157 642 1HG LYS 96 1HG LYS 96 0.909 -21.290 26.059 643 2HG LYS 96 2HG LYS 96 0.915 -22.932 26.701 644 1HD LYS 96 1HD LYS 96 1.761 -23.757 24.513 645 2HD LYS 96 2HD LYS 96 1.816 -22.094 23.928 646 1HE LYS 96 1HE LYS 96 3.785 -21.706 24.996 647 2HE LYS 96 2HE LYS 96 3.174 -22.405 26.508 648 1HZ LYS 96 1HZ LYS 96 3.320 -24.601 25.116 649 2HZ LYS 96 2HZ LYS 96 4.477 -23.732 24.229 650 3HZ LYS 96 3HZ LYS 96 4.700 -23.989 25.893 651 H ASP 97 H ASP 97 -4.064 -22.135 25.273 652 HA ASP 97 HA ASP 97 -5.547 -21.111 23.729 653 1HB ASP 97 1HB ASP 97 -4.058 -19.065 25.252 654 2HB ASP 97 2HB ASP 97 -4.801 -18.464 23.766 655 H VAL 98 H VAL 98 -2.663 -21.919 22.845 656 HA VAL 98 HA VAL 98 -2.251 -20.022 20.611 657 HB VAL 98 HB VAL 98 -0.409 -20.894 22.081 658 1HG1 VAL 98 1HG1 VAL 98 -1.692 -23.351 21.557 659 2HG1 VAL 98 2HG1 VAL 98 -0.138 -23.437 20.727 660 3HG1 VAL 98 3HG1 VAL 98 -0.195 -23.104 22.458 661 1HG2 VAL 98 1HG2 VAL 98 -0.371 -21.470 19.111 662 2HG2 VAL 98 2HG2 VAL 98 0.256 -20.050 19.948 663 3HG2 VAL 98 3HG2 VAL 98 1.071 -21.604 20.118 664 H ARG 99 H ARG 99 -2.070 -20.793 18.415 665 HA ARG 99 HA ARG 99 -2.977 -23.468 17.673 666 1HB ARG 99 1HB ARG 99 -4.934 -21.710 18.404 667 2HB ARG 99 2HB ARG 99 -4.813 -21.359 16.679 668 1HG ARG 99 1HG ARG 99 -5.981 -23.229 16.225 669 2HG ARG 99 2HG ARG 99 -4.722 -24.195 16.996 670 1HD ARG 99 1HD ARG 99 -5.799 -24.009 19.154 671 2HD ARG 99 2HD ARG 99 -6.956 -22.818 18.529 672 HE ARG 99 HE ARG 99 -7.462 -24.831 16.837 673 1HH1 ARG 99 1HH1 ARG 99 -5.878 -26.589 18.818 674 2HH1 ARG 99 2HH1 ARG 99 -7.177 -27.298 19.718 675 1HH2 ARG 99 1HH2 ARG 99 -9.547 -25.031 18.596 676 2HH2 ARG 99 2HH2 ARG 99 -9.252 -26.416 19.592 677 H LEU 100 H LEU 100 -3.454 -23.342 15.119 678 HA LEU 100 HA LEU 100 -1.195 -21.781 13.967 679 1HB LEU 100 1HB LEU 100 -2.915 -24.017 12.847 680 2HB LEU 100 2HB LEU 100 -1.434 -23.392 12.124 681 HG LEU 100 HG LEU 100 -1.735 -24.892 14.735 682 1HD1 LEU 100 1HD1 LEU 100 -1.286 -25.800 12.197 683 2HD1 LEU 100 2HD1 LEU 100 0.366 -25.546 12.759 684 3HD1 LEU 100 3HD1 LEU 100 -0.714 -26.618 13.651 685 1HD2 LEU 100 1HD2 LEU 100 0.651 -23.348 13.672 686 2HD2 LEU 100 2HD2 LEU 100 -0.240 -23.013 15.157 687 3HD2 LEU 100 3HD2 LEU 100 0.719 -24.487 15.018 688 H THR 101 H THR 101 -1.901 -19.748 13.345 689 HA THR 101 HA THR 101 -4.567 -19.065 12.575 690 HB THR 101 HB THR 101 -3.051 -17.167 11.398 691 HG1 THR 101 HG1 THR 101 -1.173 -17.266 13.073 692 1HG2 THR 101 1HG2 THR 101 -4.521 -17.213 13.571 693 2HG2 THR 101 2HG2 THR 101 -2.966 -17.333 14.394 694 3HG2 THR 101 3HG2 THR 101 -3.313 -15.944 13.365 695 H CYS 102 H CYS 102 -1.817 -20.309 10.745 696 HA CYS 102 HA CYS 102 -3.000 -19.803 8.123 697 1HB CYS 102 1HB CYS 102 -1.037 -21.006 7.355 698 2HB CYS 102 2HB CYS 102 -0.544 -19.980 8.700 699 H ILE 103 H ILE 103 -3.342 -22.221 10.563 700 HA ILE 103 HA ILE 103 -4.955 -23.897 8.670 701 HB ILE 103 HB ILE 103 -2.936 -24.748 10.767 702 1HG1 ILE 103 1HG1 ILE 103 -2.184 -23.954 8.446 703 2HG1 ILE 103 2HG1 ILE 103 -1.636 -25.551 8.950 704 1HG2 ILE 103 1HG2 ILE 103 -5.263 -26.112 9.708 705 2HG2 ILE 103 2HG2 ILE 103 -3.788 -26.961 9.245 706 3HG2 ILE 103 3HG2 ILE 103 -4.130 -26.652 10.948 707 1HD1 ILE 103 1HD1 ILE 103 -4.232 -25.353 7.475 708 2HD1 ILE 103 2HD1 ILE 103 -2.740 -25.158 6.555 709 3HD1 ILE 103 3HD1 ILE 103 -3.031 -26.644 7.461 710 H GLY 104 H GLY 104 -5.702 -21.827 10.710 711 1HA GLY 104 1HA GLY 104 -6.659 -22.007 13.030 712 2HA GLY 104 2HA GLY 104 -7.228 -23.610 12.565 713 H SER 105 H SER 105 -9.440 -23.224 12.763 714 HA SER 105 HA SER 105 -10.582 -21.064 11.024 715 1HB SER 105 1HB SER 105 -12.303 -22.723 10.385 716 2HB SER 105 2HB SER 105 -10.688 -23.309 9.986 717 HG SER 105 HG SER 105 -11.770 -24.941 11.032 718 HA PRO 106 HA PRO 106 -12.608 -20.128 14.876 719 1HB PRO 106 1HB PRO 106 -14.206 -18.128 13.903 720 2HB PRO 106 2HB PRO 106 -12.481 -17.904 14.251 721 1HG PRO 106 1HG PRO 106 -13.848 -18.383 11.643 722 2HG PRO 106 2HG PRO 106 -12.498 -17.306 12.024 723 1HD PRO 106 1HD PRO 106 -12.193 -19.735 10.823 724 2HD PRO 106 2HD PRO 106 -10.946 -18.988 11.843 725 H ALA 107 H ALA 107 -14.225 -21.458 15.621 726 HA ALA 107 HA ALA 107 -16.447 -22.189 13.762 727 1HB ALA 107 1HB ALA 107 -16.683 -24.116 15.213 728 2HB ALA 107 2HB ALA 107 -15.622 -23.390 16.421 729 3HB ALA 107 3HB ALA 107 -14.966 -23.911 14.869 730 H ALA 108 H ALA 108 -15.772 -20.724 16.902 731 HA ALA 108 HA ALA 108 -18.590 -20.572 17.685 732 1HB ALA 108 1HB ALA 108 -15.994 -20.261 18.823 733 2HB ALA 108 2HB ALA 108 -16.870 -18.755 19.095 734 3HB ALA 108 3HB ALA 108 -17.544 -20.283 19.664 735 H ASP 109 H ASP 109 -19.850 -18.638 17.727 736 HA ASP 109 HA ASP 109 -19.638 -16.854 15.532 737 1HB ASP 109 1HB ASP 109 -21.330 -17.393 17.745 738 2HB ASP 109 2HB ASP 109 -20.973 -15.668 17.803 739 H GLU 110 H GLU 110 -19.445 -15.658 18.880 740 HA GLU 110 HA GLU 110 -17.563 -13.551 18.042 741 1HB GLU 110 1HB GLU 110 -19.373 -12.972 19.522 742 2HB GLU 110 2HB GLU 110 -18.989 -14.308 20.607 743 1HG GLU 110 1HG GLU 110 -16.705 -13.188 20.927 744 2HG GLU 110 2HG GLU 110 -17.409 -11.774 20.143 745 H VAL 111 H VAL 111 -15.357 -13.733 18.298 746 HA VAL 111 HA VAL 111 -14.284 -15.547 20.398 747 HB VAL 111 HB VAL 111 -13.694 -15.711 17.426 748 1HG1 VAL 111 1HG1 VAL 111 -12.075 -16.381 19.678 749 2HG1 VAL 111 2HG1 VAL 111 -12.630 -17.890 18.950 750 3HG1 VAL 111 3HG1 VAL 111 -11.754 -16.710 17.975 751 1HG2 VAL 111 1HG2 VAL 111 -15.030 -17.632 19.359 752 2HG2 VAL 111 2HG2 VAL 111 -15.821 -16.755 18.048 753 3HG2 VAL 111 3HG2 VAL 111 -14.631 -18.004 17.681 754 H LYS 112 H LYS 112 -12.149 -14.984 21.033 755 HA LYS 112 HA LYS 112 -11.034 -12.499 19.771 756 1HB LYS 112 1HB LYS 112 -11.329 -13.351 22.664 757 2HB LYS 112 2HB LYS 112 -10.273 -12.028 22.172 758 1HG LYS 112 1HG LYS 112 -12.064 -10.699 21.442 759 2HG LYS 112 2HG LYS 112 -13.142 -12.083 21.264 760 1HD LYS 112 1HD LYS 112 -13.418 -12.298 23.623 761 2HD LYS 112 2HD LYS 112 -12.065 -11.216 23.952 762 1HE LYS 112 1HE LYS 112 -13.381 -9.366 22.823 763 2HE LYS 112 2HE LYS 112 -14.767 -10.473 22.779 764 1HZ LYS 112 1HZ LYS 112 -13.330 -10.309 25.304 765 2HZ LYS 112 2HZ LYS 112 -14.205 -8.919 24.874 766 3HZ LYS 112 3HZ LYS 112 -15.000 -10.412 25.014 767 H ILE 113 H ILE 113 -8.783 -12.515 19.468 768 HA ILE 113 HA ILE 113 -7.102 -14.609 20.659 769 HB ILE 113 HB ILE 113 -8.283 -15.739 18.797 770 1HG1 ILE 113 1HG1 ILE 113 -5.515 -15.300 17.751 771 2HG1 ILE 113 2HG1 ILE 113 -5.692 -15.953 19.379 772 1HG2 ILE 113 1HG2 ILE 113 -8.523 -13.523 17.510 773 2HG2 ILE 113 2HG2 ILE 113 -6.874 -13.802 16.953 774 3HG2 ILE 113 3HG2 ILE 113 -8.147 -14.956 16.554 775 1HD1 ILE 113 1HD1 ILE 113 -7.486 -17.225 17.442 776 2HD1 ILE 113 2HD1 ILE 113 -5.783 -17.431 17.036 777 3HD1 ILE 113 3HD1 ILE 113 -6.386 -17.965 18.604 778 H VAL 114 H VAL 114 -4.922 -14.031 20.578 779 HA VAL 114 HA VAL 114 -4.337 -11.315 19.539 780 HB VAL 114 HB VAL 114 -2.601 -13.223 21.128 781 1HG1 VAL 114 1HG1 VAL 114 -1.596 -11.156 20.056 782 2HG1 VAL 114 2HG1 VAL 114 -2.657 -10.198 21.088 783 3HG1 VAL 114 3HG1 VAL 114 -1.432 -11.240 21.808 784 1HG2 VAL 114 1HG2 VAL 114 -4.831 -11.385 21.987 785 2HG2 VAL 114 2HG2 VAL 114 -4.534 -13.056 22.468 786 3HG2 VAL 114 3HG2 VAL 114 -3.502 -11.764 23.082 787 H TYR 115 H TYR 115 -3.321 -11.098 17.577 788 HA TYR 115 HA TYR 115 -2.217 -13.503 16.262 789 1HB TYR 115 1HB TYR 115 -2.743 -12.369 14.342 790 2HB TYR 115 2HB TYR 115 -3.733 -11.404 15.430 791 HD1 TYR 115 HD1 TYR 115 -2.429 -9.394 16.625 792 HD2 TYR 115 HD2 TYR 115 -1.242 -11.279 12.950 793 HE1 TYR 115 HE1 TYR 115 -1.111 -7.386 16.021 794 HE2 TYR 115 HE2 TYR 115 0.077 -9.268 12.347 795 HH TYR 115 HH TYR 115 0.696 -6.729 14.611 796 H ASN 116 H ASN 116 -0.030 -13.453 15.319 797 HA ASN 116 HA ASN 116 2.285 -12.924 15.325 798 1HB ASN 116 1HB ASN 116 0.905 -10.510 15.825 799 2HB ASN 116 2HB ASN 116 2.181 -10.588 17.038 800 2HD2 ASN 116 2HD2 ASN 116 3.167 -8.743 15.744 801 1HD2 ASN 116 1HD2 ASN 116 4.089 -9.121 14.370 802 H ALA 117 H ALA 117 1.471 -14.825 17.107 803 HA ALA 117 HA ALA 117 2.158 -14.147 19.866 804 1HB ALA 117 1HB ALA 117 1.635 -16.455 20.255 805 2HB ALA 117 2HB ALA 117 0.525 -15.909 19.000 806 3HB ALA 117 3HB ALA 117 1.937 -16.873 18.569 807 H LYS 118 H LYS 118 3.868 -15.411 17.067 808 HA LYS 118 HA LYS 118 6.049 -16.762 18.091 809 1HB LYS 118 1HB LYS 118 7.314 -15.623 16.216 810 2HB LYS 118 2HB LYS 118 5.761 -16.305 15.731 811 1HG LYS 118 1HG LYS 118 5.216 -14.260 14.947 812 2HG LYS 118 2HG LYS 118 5.160 -13.713 16.623 813 1HD LYS 118 1HD LYS 118 6.682 -12.317 15.234 814 2HD LYS 118 2HD LYS 118 7.539 -13.133 16.542 815 1HE LYS 118 1HE LYS 118 8.919 -14.046 14.994 816 2HE LYS 118 2HE LYS 118 7.530 -14.916 14.315 817 H HIS 119 H HIS 119 5.277 -13.373 18.526 818 HA HIS 119 HA HIS 119 7.843 -12.427 19.389 819 1HB HIS 119 1HB HIS 119 4.988 -11.595 19.996 820 2HB HIS 119 2HB HIS 119 6.402 -10.624 20.408 821 HD1 HIS 119 HD1 HIS 119 8.113 -10.507 18.076 822 HD2 HIS 119 HD2 HIS 119 3.974 -10.704 17.590 823 HE1 HIS 119 HE1 HIS 119 7.623 -9.634 15.751 824 H LEU 120 H LEU 120 5.489 -14.468 20.913 825 HA LEU 120 HA LEU 120 5.811 -13.933 23.657 826 1HB LEU 120 1HB LEU 120 4.880 -16.033 21.924 827 2HB LEU 120 2HB LEU 120 5.787 -16.750 23.255 828 HG LEU 120 HG LEU 120 4.134 -14.638 24.285 829 1HD1 LEU 120 1HD1 LEU 120 2.969 -15.763 22.023 830 2HD1 LEU 120 2HD1 LEU 120 2.262 -16.681 23.352 831 3HD1 LEU 120 3HD1 LEU 120 2.110 -14.925 23.316 832 1HD2 LEU 120 1HD2 LEU 120 5.098 -16.803 25.336 833 2HD2 LEU 120 2HD2 LEU 120 3.473 -16.313 25.815 834 3HD2 LEU 120 3HD2 LEU 120 3.692 -17.602 24.631 835 H ASP 121 H ASP 121 7.576 -14.042 24.990 836 HA ASP 121 HA ASP 121 10.215 -14.464 24.235 837 1HB ASP 121 1HB ASP 121 8.612 -14.599 26.727 838 2HB ASP 121 2HB ASP 121 10.206 -15.351 26.809 839 H TYR 122 H TYR 122 8.059 -16.951 25.674 840 HA TYR 122 HA TYR 122 9.886 -19.126 25.509 841 1HB TYR 122 1HB TYR 122 7.726 -19.012 26.771 842 2HB TYR 122 2HB TYR 122 6.863 -19.126 25.237 843 HD1 TYR 122 HD1 TYR 122 9.343 -20.890 27.400 844 HD2 TYR 122 HD2 TYR 122 6.490 -21.226 24.207 845 HE1 TYR 122 HE1 TYR 122 9.567 -23.360 27.458 846 HE2 TYR 122 HE2 TYR 122 6.715 -23.695 24.265 847 HH TYR 122 HH TYR 122 7.432 -25.429 26.153 848 H LEU 123 H LEU 123 7.944 -17.566 23.049 849 HA LEU 123 HA LEU 123 8.429 -19.783 21.122 850 1HB LEU 123 1HB LEU 123 6.534 -17.561 21.505 851 2HB LEU 123 2HB LEU 123 7.041 -17.780 19.829 852 HG LEU 123 HG LEU 123 6.212 -20.154 21.484 853 1HD1 LEU 123 1HD1 LEU 123 4.399 -18.453 21.643 854 2HD1 LEU 123 2HD1 LEU 123 4.354 -18.370 19.882 855 3HD1 LEU 123 3HD1 LEU 123 3.910 -19.865 20.705 856 1HD2 LEU 123 1HD2 LEU 123 7.311 -20.477 19.282 857 2HD2 LEU 123 2HD2 LEU 123 5.644 -21.053 19.270 858 3HD2 LEU 123 3HD2 LEU 123 6.048 -19.507 18.525 859 H GLN 124 H GLN 124 9.411 -16.485 21.848 860 HA GLN 124 HA GLN 124 10.628 -15.837 19.329 861 1HB GLN 124 1HB GLN 124 10.509 -14.865 22.103 862 2HB GLN 124 2HB GLN 124 12.029 -14.482 21.293 863 1HG GLN 124 1HG GLN 124 9.512 -14.038 19.755 864 2HG GLN 124 2HG GLN 124 9.866 -12.912 21.065 865 2HE2 GLN 124 2HE2 GLN 124 10.156 -11.318 19.188 866 1HE2 GLN 124 1HE2 GLN 124 11.667 -11.266 18.416 867 H ASN 125 H ASN 125 11.720 -17.650 22.141 868 HA ASN 125 HA ASN 125 14.531 -17.697 21.507 869 1HB ASN 125 1HB ASN 125 12.596 -18.965 23.331 870 2HB ASN 125 2HB ASN 125 13.982 -19.983 22.944 871 2HD2 ASN 125 2HD2 ASN 125 13.866 -16.400 23.235 872 1HD2 ASN 125 1HD2 ASN 125 14.997 -16.314 24.498 873 H ARG 126 H ARG 126 11.780 -19.446 20.263 874 HA ARG 126 HA ARG 126 13.429 -21.629 19.146 875 1HB ARG 126 1HB ARG 126 11.062 -21.779 20.120 876 2HB ARG 126 2HB ARG 126 10.516 -20.985 18.642 877 1HG ARG 126 1HG ARG 126 10.796 -22.863 17.401 878 2HG ARG 126 2HG ARG 126 12.345 -23.234 18.157 879 1HD ARG 126 1HD ARG 126 11.259 -24.911 19.248 880 2HD ARG 126 2HD ARG 126 10.451 -23.644 20.193 881 HE ARG 126 HE ARG 126 9.273 -24.138 17.543 882 1HH1 ARG 126 1HH1 ARG 126 9.478 -25.408 20.719 883 2HH1 ARG 126 2HH1 ARG 126 7.787 -25.758 20.842 884 1HH2 ARG 126 1HH2 ARG 126 7.003 -24.359 17.767 885 2HH2 ARG 126 2HH2 ARG 126 6.384 -25.165 19.170 886 H VAL 127 H VAL 127 12.454 -18.477 18.203 887 HA VAL 127 HA VAL 127 12.319 -18.988 15.323 888 HB VAL 127 HB VAL 127 12.607 -16.462 16.985 889 1HG1 VAL 127 1HG1 VAL 127 13.180 -16.568 14.381 890 2HG1 VAL 127 2HG1 VAL 127 11.423 -16.515 14.240 891 3HG1 VAL 127 3HG1 VAL 127 12.280 -15.214 15.065 892 1HG2 VAL 127 1HG2 VAL 127 10.460 -18.273 16.714 893 2HG2 VAL 127 2HG2 VAL 127 10.402 -16.654 17.411 894 3HG2 VAL 127 3HG2 VAL 127 10.051 -16.890 15.699 895 H ILE 128 H ILE 128 14.757 -17.830 17.630 896 HA ILE 128 HA ILE 128 16.837 -18.227 15.523 897 HB ILE 128 HB ILE 128 16.093 -15.831 15.663 898 1HG1 ILE 128 1HG1 ILE 128 18.790 -15.623 16.789 899 2HG1 ILE 128 2HG1 ILE 128 18.661 -16.867 15.546 900 1HG2 ILE 128 1HG2 ILE 128 17.193 -16.081 18.479 901 2HG2 ILE 128 2HG2 ILE 128 16.721 -14.568 17.706 902 3HG2 ILE 128 3HG2 ILE 128 15.506 -15.801 18.048 903 1HD1 ILE 128 1HD1 ILE 128 17.332 -14.266 14.972 904 2HD1 ILE 128 2HD1 ILE 128 19.096 -14.272 14.956 905 3HD1 ILE 128 3HD1 ILE 128 18.202 -15.349 13.884 No H/Q in entry = 905 Start of MODEL 12 1 H2 PRO 1 H2 PRO 1 -20.126 -14.291 12.958 2 H3 PRO 1 H3 PRO 1 -20.552 -15.850 13.490 3 HA PRO 1 HA PRO 1 -18.415 -16.251 13.887 4 1HB PRO 1 1HB PRO 1 -17.143 -16.161 11.464 5 2HB PRO 1 2HB PRO 1 -18.250 -17.466 11.929 6 1HG PRO 1 1HG PRO 1 -18.739 -15.079 10.213 7 2HG PRO 1 2HG PRO 1 -19.298 -16.745 10.009 8 1HD PRO 1 1HD PRO 1 -20.871 -14.750 10.983 9 2HD PRO 1 2HD PRO 1 -21.075 -16.456 11.431 10 H THR 2 H THR 2 -18.144 -14.175 15.073 11 HA THR 2 HA THR 2 -16.596 -12.109 13.553 12 HB THR 2 HB THR 2 -17.947 -11.901 16.259 13 HG1 THR 2 HG1 THR 2 -19.554 -10.772 14.863 14 1HG2 THR 2 1HG2 THR 2 -16.693 -10.001 14.310 15 2HG2 THR 2 2HG2 THR 2 -18.027 -9.437 15.318 16 3HG2 THR 2 3HG2 THR 2 -16.552 -10.051 16.068 17 H VAL 3 H VAL 3 -14.418 -12.436 13.833 18 HA VAL 3 HA VAL 3 -13.453 -13.454 16.480 19 HB VAL 3 HB VAL 3 -12.011 -13.322 13.816 20 1HG1 VAL 3 1HG1 VAL 3 -10.815 -13.691 16.098 21 2HG1 VAL 3 2HG1 VAL 3 -11.576 -15.282 16.065 22 3HG1 VAL 3 3HG1 VAL 3 -10.461 -14.810 14.782 23 1HG2 VAL 3 1HG2 VAL 3 -14.098 -15.178 14.829 24 2HG2 VAL 3 2HG2 VAL 3 -13.657 -14.778 13.168 25 3HG2 VAL 3 3HG2 VAL 3 -12.688 -15.932 14.085 26 H GLU 4 H GLU 4 -12.472 -11.942 17.771 27 HA GLU 4 HA GLU 4 -11.689 -9.324 16.615 28 1HB GLU 4 1HB GLU 4 -13.027 -9.995 18.834 29 2HB GLU 4 2HB GLU 4 -11.395 -10.056 19.501 30 1HG GLU 4 1HG GLU 4 -10.987 -7.756 18.659 31 2HG GLU 4 2HG GLU 4 -12.643 -7.699 18.055 32 H TYR 5 H TYR 5 -9.572 -9.006 16.010 33 HA TYR 5 HA TYR 5 -7.493 -10.860 17.071 34 1HB TYR 5 1HB TYR 5 -6.207 -10.030 15.143 35 2HB TYR 5 2HB TYR 5 -7.810 -10.555 14.632 36 HD1 TYR 5 HD1 TYR 5 -5.853 -7.533 15.632 37 HD2 TYR 5 HD2 TYR 5 -9.278 -9.061 13.542 38 HE1 TYR 5 HE1 TYR 5 -6.296 -5.276 14.708 39 HE2 TYR 5 HE2 TYR 5 -9.723 -6.803 12.619 40 HH TYR 5 HH TYR 5 -9.201 -4.611 12.799 41 H LEU 6 H LEU 6 -5.723 -10.118 18.234 42 HA LEU 6 HA LEU 6 -5.501 -7.180 18.779 43 1HB LEU 6 1HB LEU 6 -6.746 -8.159 20.607 44 2HB LEU 6 2HB LEU 6 -5.630 -9.516 20.708 45 HG LEU 6 HG LEU 6 -3.973 -8.254 21.754 46 1HD1 LEU 6 1HD1 LEU 6 -5.329 -5.794 20.611 47 2HD1 LEU 6 2HD1 LEU 6 -3.970 -5.740 21.735 48 3HD1 LEU 6 3HD1 LEU 6 -3.765 -6.455 20.137 49 1HD2 LEU 6 1HD2 LEU 6 -6.721 -7.450 22.563 50 2HD2 LEU 6 2HD2 LEU 6 -5.473 -8.286 23.488 51 3HD2 LEU 6 3HD2 LEU 6 -5.381 -6.539 23.261 52 H ASN 7 H ASN 7 -3.478 -6.701 17.985 53 HA ASN 7 HA ASN 7 -1.383 -8.460 17.389 54 1HB ASN 7 1HB ASN 7 -0.029 -6.441 17.321 55 2HB ASN 7 2HB ASN 7 -1.652 -6.043 16.764 56 2HD2 ASN 7 2HD2 ASN 7 0.271 -4.161 17.990 57 1HD2 ASN 7 1HD2 ASN 7 -0.466 -3.579 19.403 58 H TYR 8 H TYR 8 -0.076 -9.690 18.664 59 HA TYR 8 HA TYR 8 -0.175 -9.721 21.515 60 1HB TYR 8 1HB TYR 8 0.557 -11.625 20.216 61 2HB TYR 8 2HB TYR 8 1.852 -10.685 19.474 62 HD1 TYR 8 HD1 TYR 8 0.707 -12.369 22.547 63 HD2 TYR 8 HD2 TYR 8 3.882 -10.131 20.712 64 HE1 TYR 8 HE1 TYR 8 2.221 -12.988 24.411 65 HE2 TYR 8 HE2 TYR 8 5.395 -10.750 22.576 66 HH TYR 8 HH TYR 8 5.173 -11.452 24.966 67 H GLU 9 H GLU 9 1.526 -7.678 19.299 68 HA GLU 9 HA GLU 9 3.783 -6.906 20.874 69 1HB GLU 9 1HB GLU 9 2.090 -5.633 18.721 70 2HB GLU 9 2HB GLU 9 3.454 -4.768 19.426 71 1HG GLU 9 1HG GLU 9 4.639 -5.832 17.789 72 2HG GLU 9 2HG GLU 9 4.608 -7.180 18.925 73 H THR 10 H THR 10 0.464 -5.600 20.691 74 HA THR 10 HA THR 10 0.822 -3.414 22.496 75 HB THR 10 HB THR 10 -1.517 -5.165 21.699 76 HG1 THR 10 HG1 THR 10 -2.047 -3.234 20.568 77 1HG2 THR 10 1HG2 THR 10 -1.878 -4.217 23.978 78 2HG2 THR 10 2HG2 THR 10 -1.607 -2.604 23.316 79 3HG2 THR 10 3HG2 THR 10 -2.993 -3.555 22.781 80 H LEU 11 H LEU 11 0.004 -6.832 23.044 81 HA LEU 11 HA LEU 11 -0.529 -6.608 25.860 82 1HB LEU 11 1HB LEU 11 -1.280 -8.530 24.662 83 2HB LEU 11 2HB LEU 11 0.321 -8.823 23.983 84 HG LEU 11 HG LEU 11 1.195 -9.452 26.152 85 1HD1 LEU 11 1HD1 LEU 11 -0.236 -7.753 27.387 86 2HD1 LEU 11 2HD1 LEU 11 -1.557 -8.916 27.294 87 3HD1 LEU 11 3HD1 LEU 11 -0.087 -9.320 28.180 88 1HD2 LEU 11 1HD2 LEU 11 -0.521 -10.970 24.743 89 2HD2 LEU 11 2HD2 LEU 11 0.200 -11.523 26.253 90 3HD2 LEU 11 3HD2 LEU 11 -1.432 -10.855 26.249 91 H ASP 12 H ASP 12 2.403 -7.529 24.031 92 HA ASP 12 HA ASP 12 4.061 -7.798 26.405 93 1HB ASP 12 1HB ASP 12 4.140 -8.541 23.747 94 2HB ASP 12 2HB ASP 12 5.350 -7.261 23.811 95 H ASP 13 H ASP 13 3.532 -5.256 23.963 96 HA ASP 13 HA ASP 13 5.592 -3.463 24.787 97 1HB ASP 13 1HB ASP 13 4.092 -3.443 22.718 98 2HB ASP 13 2HB ASP 13 2.839 -2.743 23.744 99 H GLN 14 H GLN 14 2.141 -3.601 25.746 100 HA GLN 14 HA GLN 14 2.442 -1.519 27.766 101 1HB GLN 14 1HB GLN 14 0.395 -2.631 26.343 102 2HB GLN 14 2HB GLN 14 0.195 -3.450 27.893 103 1HG GLN 14 1HG GLN 14 -0.445 -1.540 28.961 104 2HG GLN 14 2HG GLN 14 0.719 -0.547 28.084 105 2HE2 GLN 14 2HE2 GLN 14 0.078 0.226 25.908 106 1HE2 GLN 14 1HE2 GLN 14 -1.559 0.272 25.461 107 H GLY 15 H GLY 15 2.755 -5.006 27.670 108 1HA GLY 15 1HA GLY 15 3.994 -5.091 30.269 109 2HA GLY 15 2HA GLY 15 3.535 -6.497 29.308 110 H TRP 16 H TRP 16 0.825 -6.270 29.091 111 HA TRP 16 HA TRP 16 -0.151 -6.073 31.921 112 1HB TRP 16 1HB TRP 16 -1.058 -5.070 29.386 113 2HB TRP 16 2HB TRP 16 -2.274 -6.175 30.027 114 HD1 TRP 16 HD1 TRP 16 -2.315 -2.848 29.923 115 HE1 TRP 16 HE1 TRP 16 -2.906 -1.635 32.120 116 HE3 TRP 16 HE3 TRP 16 -1.342 -6.574 33.276 117 HZ2 TRP 16 HZ2 TRP 16 -2.960 -2.175 34.929 118 HZ3 TRP 16 HZ3 TRP 16 -1.672 -6.199 35.704 119 HH2 TRP 16 HH2 TRP 16 -2.479 -4.006 36.533 120 H ASP 17 H ASP 17 -2.458 -7.509 31.743 121 HA ASP 17 HA ASP 17 -1.460 -10.278 31.536 122 1HB ASP 17 1HB ASP 17 -3.951 -8.896 32.543 123 2HB ASP 17 2HB ASP 17 -3.846 -10.655 32.462 124 H MET 18 H MET 18 -2.980 -11.916 30.476 125 HA MET 18 HA MET 18 -3.517 -11.100 27.724 126 1HB MET 18 1HB MET 18 -3.305 -13.529 29.365 127 2HB MET 18 2HB MET 18 -4.532 -13.647 28.104 128 1HG MET 18 1HG MET 18 -2.799 -12.804 26.467 129 2HG MET 18 2HG MET 18 -1.601 -12.965 27.752 130 1HE MET 18 1HE MET 18 -0.803 -14.752 28.768 131 2HE MET 18 2HE MET 18 -0.773 -16.423 28.188 132 3HE MET 18 3HE MET 18 0.003 -15.147 27.252 133 H ASP 19 H ASP 19 -5.458 -11.869 30.595 134 HA ASP 19 HA ASP 19 -7.890 -10.983 29.074 135 1HB ASP 19 1HB ASP 19 -7.343 -13.504 29.987 136 2HB ASP 19 2HB ASP 19 -8.217 -12.830 31.363 137 H ASP 20 H ASP 20 -6.035 -10.864 32.056 138 HA ASP 20 HA ASP 20 -7.903 -9.715 33.837 139 1HB ASP 20 1HB ASP 20 -5.199 -10.315 33.758 140 2HB ASP 20 2HB ASP 20 -5.202 -8.558 33.916 141 H ASP 21 H ASP 21 -5.408 -7.776 32.145 142 HA ASP 21 HA ASP 21 -6.923 -5.323 32.418 143 1HB ASP 21 1HB ASP 21 -4.493 -5.362 32.309 144 2HB ASP 21 2HB ASP 21 -4.540 -6.157 30.735 145 H ASP 22 H ASP 22 -7.307 -7.963 30.362 146 HA ASP 22 HA ASP 22 -8.369 -8.245 28.258 147 1HB ASP 22 1HB ASP 22 -9.839 -6.478 30.079 148 2HB ASP 22 2HB ASP 22 -10.307 -6.260 28.393 149 H LEU 23 H LEU 23 -6.075 -6.895 27.731 150 HA LEU 23 HA LEU 23 -5.998 -4.307 26.767 151 1HB LEU 23 1HB LEU 23 -4.946 -6.863 25.512 152 2HB LEU 23 2HB LEU 23 -4.386 -5.245 25.083 153 HG LEU 23 HG LEU 23 -4.389 -5.624 27.965 154 1HD1 LEU 23 1HD1 LEU 23 -4.013 -7.996 27.320 155 2HD1 LEU 23 2HD1 LEU 23 -2.644 -7.491 26.330 156 3HD1 LEU 23 3HD1 LEU 23 -2.590 -7.286 28.080 157 1HD2 LEU 23 1HD2 LEU 23 -2.595 -4.687 25.784 158 2HD2 LEU 23 2HD2 LEU 23 -3.015 -3.907 27.309 159 3HD2 LEU 23 3HD2 LEU 23 -1.817 -5.201 27.282 160 H PHE 24 H PHE 24 -7.524 -7.105 25.176 161 HA PHE 24 HA PHE 24 -8.133 -6.161 22.641 162 1HB PHE 24 1HB PHE 24 -9.541 -7.802 24.715 163 2HB PHE 24 2HB PHE 24 -10.454 -7.342 23.279 164 HD1 PHE 24 HD1 PHE 24 -7.553 -9.235 24.545 165 HD2 PHE 24 HD2 PHE 24 -9.863 -8.191 21.078 166 HE1 PHE 24 HE1 PHE 24 -6.442 -11.042 23.262 167 HE2 PHE 24 HE2 PHE 24 -8.750 -9.998 19.793 168 HZ PHE 24 HZ PHE 24 -7.039 -11.424 20.885 169 H GLU 25 H GLU 25 -9.380 -5.080 25.724 170 HA GLU 25 HA GLU 25 -11.345 -3.265 24.396 171 1HB GLU 25 1HB GLU 25 -11.737 -4.863 26.438 172 2HB GLU 25 2HB GLU 25 -10.920 -3.602 27.360 173 1HG GLU 25 1HG GLU 25 -13.432 -3.305 25.691 174 2HG GLU 25 2HG GLU 25 -13.298 -3.157 27.443 175 H LYS 26 H LYS 26 -8.602 -3.195 26.687 176 HA LYS 26 HA LYS 26 -8.511 -0.364 27.065 177 1HB LYS 26 1HB LYS 26 -6.859 -2.753 27.517 178 2HB LYS 26 2HB LYS 26 -5.906 -1.292 27.258 179 1HG LYS 26 1HG LYS 26 -8.042 -0.549 28.959 180 2HG LYS 26 2HG LYS 26 -7.415 -2.072 29.590 181 1HD LYS 26 1HD LYS 26 -5.138 -1.148 29.602 182 2HD LYS 26 2HD LYS 26 -5.736 0.365 28.921 183 1HE LYS 26 1HE LYS 26 -6.486 1.093 30.948 184 2HE LYS 26 2HE LYS 26 -7.180 -0.490 31.348 185 1HZ LYS 26 1HZ LYS 26 -4.281 0.193 31.379 186 2HZ LYS 26 2HZ LYS 26 -5.260 0.021 32.756 187 3HZ LYS 26 3HZ LYS 26 -4.947 -1.321 31.764 188 H ALA 27 H ALA 27 -7.314 -2.451 24.500 189 HA ALA 27 HA ALA 27 -5.476 -0.651 23.254 190 1HB ALA 27 1HB ALA 27 -6.362 -2.152 21.213 191 2HB ALA 27 2HB ALA 27 -7.085 -3.065 22.537 192 3HB ALA 27 3HB ALA 27 -5.338 -2.828 22.479 193 H ALA 28 H ALA 28 -8.993 -0.928 23.105 194 HA ALA 28 HA ALA 28 -9.366 0.760 20.784 195 1HB ALA 28 1HB ALA 28 -10.873 -0.881 22.472 196 2HB ALA 28 2HB ALA 28 -11.496 0.059 21.116 197 3HB ALA 28 3HB ALA 28 -11.528 0.733 22.747 198 H ASP 29 H ASP 29 -8.789 1.375 24.173 199 HA ASP 29 HA ASP 29 -9.779 4.144 24.085 200 1HB ASP 29 1HB ASP 29 -9.879 2.638 26.080 201 2HB ASP 29 2HB ASP 29 -8.117 2.647 26.138 202 H ALA 30 H ALA 30 -6.859 2.488 23.311 203 HA ALA 30 HA ALA 30 -5.178 4.915 23.675 204 1HB ALA 30 1HB ALA 30 -3.370 3.402 23.468 205 2HB ALA 30 2HB ALA 30 -4.340 2.235 22.569 206 3HB ALA 30 3HB ALA 30 -4.605 2.455 24.298 207 H GLY 31 H GLY 31 -6.893 3.169 21.212 208 1HA GLY 31 1HA GLY 31 -6.219 5.178 19.219 209 2HA GLY 31 2HA GLY 31 -7.234 3.761 18.953 210 H LEU 32 H LEU 32 -5.233 1.857 19.902 211 HA LEU 32 HA LEU 32 -2.701 2.002 18.704 212 1HB LEU 32 1HB LEU 32 -4.675 -0.229 19.206 213 2HB LEU 32 2HB LEU 32 -3.080 -0.562 18.529 214 HG LEU 32 HG LEU 32 -3.527 0.988 21.096 215 1HD1 LEU 32 1HD1 LEU 32 -3.481 -1.902 20.531 216 2HD1 LEU 32 2HD1 LEU 32 -2.348 -1.401 21.785 217 3HD1 LEU 32 3HD1 LEU 32 -4.067 -1.045 21.957 218 1HD2 LEU 32 1HD2 LEU 32 -1.080 -0.258 19.806 219 2HD2 LEU 32 2HD2 LEU 32 -1.407 1.466 19.975 220 3HD2 LEU 32 3HD2 LEU 32 -1.104 0.482 21.407 221 H ASP 33 H ASP 33 -2.196 0.350 16.735 222 HA ASP 33 HA ASP 33 -3.249 1.582 14.352 223 1HB ASP 33 1HB ASP 33 -1.493 -0.748 15.069 224 2HB ASP 33 2HB ASP 33 -2.022 -0.559 13.397 225 H GLY 34 H GLY 34 -4.473 0.438 12.645 226 1HA GLY 34 1HA GLY 34 -6.510 -0.609 12.054 227 2HA GLY 34 2HA GLY 34 -6.729 -1.047 13.747 228 H GLU 35 H GLU 35 -3.877 -1.806 11.805 229 HA GLU 35 HA GLU 35 -4.661 -4.531 11.195 230 1HB GLU 35 1HB GLU 35 -2.436 -4.665 10.310 231 2HB GLU 35 2HB GLU 35 -2.975 -3.011 10.020 232 1HG GLU 35 1HG GLU 35 -1.884 -2.561 12.379 233 2HG GLU 35 2HG GLU 35 -0.982 -4.034 12.020 234 H ASP 36 H ASP 36 -3.667 -3.030 14.071 235 HA ASP 36 HA ASP 36 -2.380 -5.480 15.167 236 1HB ASP 36 1HB ASP 36 -2.567 -2.571 15.828 237 2HB ASP 36 2HB ASP 36 -2.298 -3.690 17.164 238 H TYR 37 H TYR 37 -5.097 -3.259 15.885 239 HA TYR 37 HA TYR 37 -6.421 -5.520 17.342 240 1HB TYR 37 1HB TYR 37 -5.575 -4.099 19.039 241 2HB TYR 37 2HB TYR 37 -5.952 -2.641 18.122 242 HD1 TYR 37 HD1 TYR 37 -7.753 -5.674 19.431 243 HD2 TYR 37 HD2 TYR 37 -7.802 -1.421 18.826 244 HE1 TYR 37 HE1 TYR 37 -9.961 -5.539 20.553 245 HE2 TYR 37 HE2 TYR 37 -10.011 -1.286 19.947 246 HH TYR 37 HH TYR 37 -11.380 -2.517 21.459 247 H GLY 38 H GLY 38 -8.591 -5.763 16.838 248 1HA GLY 38 1HA GLY 38 -9.671 -4.220 14.616 249 2HA GLY 38 2HA GLY 38 -10.484 -3.869 16.141 250 H THR 39 H THR 39 -12.132 -4.938 14.362 251 HA THR 39 HA THR 39 -12.673 -7.635 15.443 252 HB THR 39 HB THR 39 -14.338 -6.290 13.353 253 HG1 THR 39 HG1 THR 39 -14.967 -4.724 14.698 254 1HG2 THR 39 1HG2 THR 39 -14.899 -8.458 14.581 255 2HG2 THR 39 2HG2 THR 39 -15.110 -7.469 16.026 256 3HG2 THR 39 3HG2 THR 39 -16.140 -7.206 14.619 257 H MET 40 H MET 40 -12.708 -9.520 14.168 258 HA MET 40 HA MET 40 -11.596 -9.243 11.395 259 1HB MET 40 1HB MET 40 -10.514 -10.450 13.647 260 2HB MET 40 2HB MET 40 -11.223 -11.804 12.768 261 1HG MET 40 1HG MET 40 -10.070 -10.813 10.682 262 2HG MET 40 2HG MET 40 -9.127 -9.850 11.821 263 1HE MET 40 1HE MET 40 -10.135 -12.855 10.278 264 2HE MET 40 2HE MET 40 -8.823 -14.024 10.476 265 3HE MET 40 3HE MET 40 -10.149 -13.978 11.635 266 H GLU 41 H GLU 41 -13.833 -9.228 10.551 267 HA GLU 41 HA GLU 41 -15.771 -11.257 11.118 268 1HB GLU 41 1HB GLU 41 -16.767 -10.430 9.000 269 2HB GLU 41 2HB GLU 41 -16.216 -9.093 10.010 270 1HG GLU 41 1HG GLU 41 -15.053 -8.391 8.201 271 2HG GLU 41 2HG GLU 41 -13.965 -9.745 8.512 272 H VAL 42 H VAL 42 -15.377 -13.423 10.795 273 HA VAL 42 HA VAL 42 -13.870 -14.219 8.323 274 HB VAL 42 HB VAL 42 -14.117 -15.628 11.000 275 1HG1 VAL 42 1HG1 VAL 42 -13.183 -16.456 8.415 276 2HG1 VAL 42 2HG1 VAL 42 -11.805 -16.367 9.511 277 3HG1 VAL 42 3HG1 VAL 42 -13.195 -17.374 9.919 278 1HG2 VAL 42 1HG2 VAL 42 -12.423 -13.431 10.079 279 2HG2 VAL 42 2HG2 VAL 42 -12.646 -14.063 11.710 280 3HG2 VAL 42 3HG2 VAL 42 -11.480 -14.819 10.623 281 H ALA 43 H ALA 43 -14.770 -15.889 7.070 282 HA ALA 43 HA ALA 43 -17.636 -16.388 7.400 283 1HB ALA 43 1HB ALA 43 -15.701 -16.354 5.352 284 2HB ALA 43 2HB ALA 43 -16.259 -18.025 5.439 285 3HB ALA 43 3HB ALA 43 -17.417 -16.721 5.173 286 H GLU 44 H GLU 44 -18.584 -18.398 7.946 287 HA GLU 44 HA GLU 44 -17.341 -20.073 9.835 288 1HB GLU 44 1HB GLU 44 -19.521 -20.733 7.824 289 2HB GLU 44 2HB GLU 44 -19.248 -21.560 9.357 290 1HG GLU 44 1HG GLU 44 -19.385 -18.898 10.109 291 2HG GLU 44 2HG GLU 44 -20.594 -19.008 8.829 292 H GLY 45 H GLY 45 -15.619 -21.433 9.556 293 1HA GLY 45 1HA GLY 45 -15.548 -23.252 7.255 294 2HA GLY 45 2HA GLY 45 -14.418 -23.250 8.610 295 H GLU 46 H GLU 46 -14.363 -20.143 7.956 296 HA GLU 46 HA GLU 46 -12.655 -20.239 5.520 297 1HB GLU 46 1HB GLU 46 -14.589 -18.563 6.181 298 2HB GLU 46 2HB GLU 46 -13.314 -17.779 7.113 299 1HG GLU 46 1HG GLU 46 -13.391 -16.768 4.902 300 2HG GLU 46 2HG GLU 46 -11.912 -17.717 5.034 301 H TYR 47 H TYR 47 -10.459 -20.332 5.747 302 HA TYR 47 HA TYR 47 -9.031 -20.571 8.141 303 1HB TYR 47 1HB TYR 47 -8.114 -19.315 5.535 304 2HB TYR 47 2HB TYR 47 -7.083 -20.103 6.729 305 HD1 TYR 47 HD1 TYR 47 -8.606 -22.468 7.498 306 HD2 TYR 47 HD2 TYR 47 -8.118 -20.678 3.624 307 HE1 TYR 47 HE1 TYR 47 -9.046 -24.662 6.428 308 HE2 TYR 47 HE2 TYR 47 -8.557 -22.871 2.555 309 HH TYR 47 HH TYR 47 -9.880 -25.051 3.310 310 H ILE 48 H ILE 48 -8.582 -19.124 9.748 311 HA ILE 48 HA ILE 48 -9.461 -16.474 9.912 312 HB ILE 48 HB ILE 48 -7.044 -17.865 11.107 313 1HG1 ILE 48 1HG1 ILE 48 -9.841 -17.355 12.162 314 2HG1 ILE 48 2HG1 ILE 48 -9.225 -18.908 11.599 315 1HG2 ILE 48 1HG2 ILE 48 -7.018 -15.300 11.158 316 2HG2 ILE 48 2HG2 ILE 48 -8.437 -15.415 12.200 317 3HG2 ILE 48 3HG2 ILE 48 -6.904 -16.116 12.718 318 1HD1 ILE 48 1HD1 ILE 48 -7.712 -17.431 13.727 319 2HD1 ILE 48 2HD1 ILE 48 -9.170 -18.316 14.174 320 3HD1 ILE 48 3HD1 ILE 48 -7.815 -19.166 13.432 321 H LEU 49 H LEU 49 -6.151 -17.544 9.035 322 HA LEU 49 HA LEU 49 -4.959 -15.075 8.499 323 1HB LEU 49 1HB LEU 49 -3.765 -17.181 8.448 324 2HB LEU 49 2HB LEU 49 -4.748 -17.760 7.103 325 HG LEU 49 HG LEU 49 -3.807 -16.091 5.619 326 1HD1 LEU 49 1HD1 LEU 49 -3.137 -14.815 8.143 327 2HD1 LEU 49 2HD1 LEU 49 -1.729 -14.904 7.084 328 3HD1 LEU 49 3HD1 LEU 49 -3.204 -14.116 6.525 329 1HD2 LEU 49 1HD2 LEU 49 -1.935 -17.750 7.265 330 2HD2 LEU 49 2HD2 LEU 49 -2.354 -17.898 5.559 331 3HD2 LEU 49 3HD2 LEU 49 -1.250 -16.630 6.088 332 H GLU 50 H GLU 50 -7.003 -17.018 6.296 333 HA GLU 50 HA GLU 50 -6.769 -15.162 4.078 334 1HB GLU 50 1HB GLU 50 -7.534 -17.733 4.397 335 2HB GLU 50 2HB GLU 50 -9.122 -16.965 4.366 336 1HG GLU 50 1HG GLU 50 -8.051 -15.684 2.283 337 2HG GLU 50 2HG GLU 50 -7.050 -17.134 2.217 338 H ALA 51 H ALA 51 -9.222 -15.709 6.616 339 HA ALA 51 HA ALA 51 -11.202 -13.907 5.715 340 1HB ALA 51 1HB ALA 51 -10.473 -15.384 8.078 341 2HB ALA 51 2HB ALA 51 -12.072 -14.833 7.580 342 3HB ALA 51 3HB ALA 51 -11.037 -13.779 8.543 343 H ALA 52 H ALA 52 -8.473 -13.289 7.915 344 HA ALA 52 HA ALA 52 -8.995 -10.413 7.988 345 1HB ALA 52 1HB ALA 52 -7.748 -12.247 9.596 346 2HB ALA 52 2HB ALA 52 -6.366 -11.465 8.828 347 3HB ALA 52 3HB ALA 52 -7.531 -10.501 9.739 348 H GLU 53 H GLU 53 -6.815 -12.594 6.271 349 HA GLU 53 HA GLU 53 -4.929 -10.786 5.221 350 1HB GLU 53 1HB GLU 53 -4.672 -13.122 4.857 351 2HB GLU 53 2HB GLU 53 -6.283 -13.270 4.158 352 1HG GLU 53 1HG GLU 53 -4.749 -11.331 2.669 353 2HG GLU 53 2HG GLU 53 -3.849 -12.843 2.781 354 H ALA 54 H ALA 54 -8.279 -11.342 4.291 355 HA ALA 54 HA ALA 54 -8.179 -9.801 1.829 356 1HB ALA 54 1HB ALA 54 -10.071 -11.298 3.484 357 2HB ALA 54 2HB ALA 54 -10.057 -11.072 1.734 358 3HB ALA 54 3HB ALA 54 -10.803 -9.859 2.774 359 H GLN 55 H GLN 55 -8.115 -8.936 5.119 360 HA GLN 55 HA GLN 55 -9.367 -6.270 4.604 361 1HB GLN 55 1HB GLN 55 -8.789 -7.993 7.004 362 2HB GLN 55 2HB GLN 55 -9.054 -6.263 7.215 363 1HG GLN 55 1HG GLN 55 -10.996 -7.758 5.510 364 2HG GLN 55 2HG GLN 55 -11.082 -8.010 7.254 365 2HE2 GLN 55 2HE2 GLN 55 -11.252 -5.942 8.605 366 1HE2 GLN 55 1HE2 GLN 55 -12.077 -4.618 7.936 367 H GLY 56 H GLY 56 -6.328 -7.817 4.891 368 1HA GLY 56 1HA GLY 56 -5.014 -5.152 5.212 369 2HA GLY 56 2HA GLY 56 -4.320 -6.502 4.314 370 H TYR 57 H TYR 57 -5.413 -8.259 6.638 371 HA TYR 57 HA TYR 57 -3.608 -7.484 8.850 372 1HB TYR 57 1HB TYR 57 -5.583 -9.736 8.370 373 2HB TYR 57 2HB TYR 57 -4.685 -9.530 9.874 374 HD1 TYR 57 HD1 TYR 57 -4.708 -6.856 10.627 375 HD2 TYR 57 HD2 TYR 57 -7.763 -8.957 8.461 376 HE1 TYR 57 HE1 TYR 57 -6.393 -5.210 11.404 377 HE2 TYR 57 HE2 TYR 57 -9.446 -7.315 9.236 378 HH TYR 57 HH TYR 57 -8.690 -4.368 10.507 379 H ASP 58 H ASP 58 -1.536 -8.253 8.945 380 HA ASP 58 HA ASP 58 -0.740 -10.483 7.140 381 1HB ASP 58 1HB ASP 58 0.504 -8.134 8.465 382 2HB ASP 58 2HB ASP 58 1.540 -9.550 8.292 383 H TRP 59 H TRP 59 -0.012 -12.452 7.961 384 HA TRP 59 HA TRP 59 0.180 -12.709 10.945 385 1HB TRP 59 1HB TRP 59 -1.042 -14.664 8.969 386 2HB TRP 59 2HB TRP 59 -1.022 -14.829 10.724 387 HD1 TRP 59 HD1 TRP 59 -2.248 -12.238 8.122 388 HE1 TRP 59 HE1 TRP 59 -4.471 -11.253 8.971 389 HE3 TRP 59 HE3 TRP 59 -2.657 -14.678 12.591 390 HZ2 TRP 59 HZ2 TRP 59 -6.196 -11.463 11.237 391 HZ3 TRP 59 HZ3 TRP 59 -4.600 -14.265 14.073 392 HH2 TRP 59 HH2 TRP 59 -6.368 -12.662 13.402 393 HA PRO 60 HA PRO 60 4.015 -14.665 10.030 394 1HB PRO 60 1HB PRO 60 4.303 -16.157 12.309 395 2HB PRO 60 2HB PRO 60 4.547 -14.401 12.265 396 1HG PRO 60 1HG PRO 60 2.198 -15.970 13.212 397 2HG PRO 60 2HG PRO 60 2.910 -14.495 13.877 398 1HD PRO 60 1HD PRO 60 0.644 -14.539 12.341 399 2HD PRO 60 2HD PRO 60 1.733 -13.142 12.452 400 H PHE 61 H PHE 61 4.474 -16.491 8.828 401 HA PHE 61 HA PHE 61 3.196 -19.074 9.446 402 1HB PHE 61 1HB PHE 61 2.141 -19.173 7.180 403 2HB PHE 61 2HB PHE 61 1.471 -17.880 8.175 404 HD1 PHE 61 HD1 PHE 61 4.241 -18.487 5.712 405 HD2 PHE 61 HD2 PHE 61 1.349 -15.730 7.285 406 HE1 PHE 61 HE1 PHE 61 4.900 -16.819 3.999 407 HE2 PHE 61 HE2 PHE 61 2.008 -14.062 5.574 408 HZ PHE 61 HZ PHE 61 3.783 -14.606 3.929 409 H SER 62 H SER 62 4.247 -20.812 8.337 410 HA SER 62 HA SER 62 6.507 -20.113 6.527 411 1HB SER 62 1HB SER 62 7.474 -22.074 8.304 412 2HB SER 62 2HB SER 62 7.948 -20.375 8.251 413 HG SER 62 HG SER 62 6.501 -19.902 9.802 414 H CYS 63 H CYS 63 5.117 -22.914 8.270 415 HA CYS 63 HA CYS 63 5.641 -24.704 6.040 416 1HB CYS 63 1HB CYS 63 5.075 -26.330 7.600 417 2HB CYS 63 2HB CYS 63 5.531 -25.003 8.663 418 H ARG 64 H ARG 64 2.693 -23.145 7.353 419 HA ARG 64 HA ARG 64 0.593 -22.765 6.326 420 1HB ARG 64 1HB ARG 64 2.057 -23.611 3.813 421 2HB ARG 64 2HB ARG 64 0.666 -22.535 3.930 422 1HG ARG 64 1HG ARG 64 2.247 -21.127 5.493 423 2HG ARG 64 2HG ARG 64 3.530 -22.015 4.670 424 1HD ARG 64 1HD ARG 64 3.295 -20.179 3.239 425 2HD ARG 64 2HD ARG 64 2.138 -21.302 2.500 426 HE ARG 64 HE ARG 64 0.630 -20.057 4.442 427 1HH1 ARG 64 1HH1 ARG 64 3.048 -18.163 3.288 428 2HH1 ARG 64 2HH1 ARG 64 2.048 -17.032 2.441 429 1HH2 ARG 64 1HH2 ARG 64 -0.832 -18.936 2.759 430 2HH2 ARG 64 2HH2 ARG 64 -0.149 -17.468 2.142 431 H ALA 65 H ALA 65 1.346 -25.546 7.229 432 HA ALA 65 HA ALA 65 -0.751 -27.012 5.714 433 1HB ALA 65 1HB ALA 65 1.759 -28.379 6.645 434 2HB ALA 65 2HB ALA 65 0.690 -28.811 5.310 435 3HB ALA 65 3HB ALA 65 1.793 -27.444 5.149 436 H GLY 66 H GLY 66 0.244 -25.861 8.660 437 1HA GLY 66 1HA GLY 66 -1.555 -27.656 10.107 438 2HA GLY 66 2HA GLY 66 -0.696 -26.276 10.792 439 H ALA 67 H ALA 67 1.954 -27.079 9.982 440 HA ALA 67 HA ALA 67 2.314 -29.508 11.704 441 1HB ALA 67 1HB ALA 67 2.649 -29.955 9.309 442 2HB ALA 67 2HB ALA 67 4.182 -30.074 10.173 443 3HB ALA 67 3HB ALA 67 3.817 -28.637 9.218 444 H CYS 68 H CYS 68 2.805 -26.250 11.712 445 HA CYS 68 HA CYS 68 5.212 -26.552 13.444 446 1HB CYS 68 1HB CYS 68 6.493 -25.090 12.178 447 2HB CYS 68 2HB CYS 68 5.538 -25.839 10.904 448 H ALA 69 H ALA 69 5.614 -24.058 14.341 449 HA ALA 69 HA ALA 69 2.913 -23.126 15.267 450 1HB ALA 69 1HB ALA 69 5.230 -24.172 16.656 451 2HB ALA 69 2HB ALA 69 3.624 -23.816 17.292 452 3HB ALA 69 3HB ALA 69 4.847 -22.548 17.229 453 H ASN 70 H ASN 70 5.275 -22.164 13.288 454 HA ASN 70 HA ASN 70 6.242 -19.664 14.208 455 1HB ASN 70 1HB ASN 70 5.579 -20.884 11.533 456 2HB ASN 70 2HB ASN 70 6.156 -19.220 11.623 457 2HD2 ASN 70 2HD2 ASN 70 8.255 -18.989 13.051 458 1HD2 ASN 70 1HD2 ASN 70 9.417 -20.212 12.869 459 H CYS 71 H CYS 71 3.137 -20.546 12.748 460 HA CYS 71 HA CYS 71 2.215 -17.738 12.677 461 1HB CYS 71 1HB CYS 71 0.297 -18.723 11.564 462 2HB CYS 71 2HB CYS 71 1.739 -19.516 10.933 463 H ALA 72 H ALA 72 2.753 -19.642 15.164 464 HA ALA 72 HA ALA 72 0.535 -20.288 16.648 465 1HB ALA 72 1HB ALA 72 3.176 -19.014 17.291 466 2HB ALA 72 2HB ALA 72 2.023 -19.320 18.590 467 3HB ALA 72 3HB ALA 72 2.628 -20.659 17.614 468 H SER 73 H SER 73 -0.724 -19.167 18.268 469 HA SER 73 HA SER 73 -0.806 -16.206 18.235 470 1HB SER 73 1HB SER 73 -3.416 -17.517 17.742 471 2HB SER 73 2HB SER 73 -2.753 -16.040 17.042 472 HG SER 73 HG SER 73 -2.973 -18.241 15.807 473 H ILE 74 H ILE 74 -3.190 -15.841 19.577 474 HA ILE 74 HA ILE 74 -3.240 -17.757 21.851 475 HB ILE 74 HB ILE 74 -2.522 -14.819 21.957 476 1HG1 ILE 74 1HG1 ILE 74 -0.711 -16.514 21.612 477 2HG1 ILE 74 2HG1 ILE 74 -0.549 -15.634 23.132 478 1HG2 ILE 74 1HG2 ILE 74 -3.393 -16.670 24.193 479 2HG2 ILE 74 2HG2 ILE 74 -2.605 -15.114 24.452 480 3HG2 ILE 74 3HG2 ILE 74 -4.190 -15.183 23.681 481 1HD1 ILE 74 1HD1 ILE 74 -1.782 -17.530 24.258 482 2HD1 ILE 74 2HD1 ILE 74 -1.671 -18.421 22.740 483 3HD1 ILE 74 3HD1 ILE 74 -0.203 -17.976 23.611 484 H VAL 75 H VAL 75 -5.406 -18.237 21.165 485 HA VAL 75 HA VAL 75 -7.429 -16.335 20.562 486 HB VAL 75 HB VAL 75 -7.100 -19.128 20.865 487 1HG1 VAL 75 1HG1 VAL 75 -8.109 -18.916 23.131 488 2HG1 VAL 75 2HG1 VAL 75 -9.518 -18.139 22.411 489 3HG1 VAL 75 3HG1 VAL 75 -9.145 -19.820 22.028 490 1HG2 VAL 75 1HG2 VAL 75 -9.390 -17.379 19.949 491 2HG2 VAL 75 2HG2 VAL 75 -8.135 -18.116 18.953 492 3HG2 VAL 75 3HG2 VAL 75 -9.360 -19.128 19.718 493 H LYS 76 H LYS 76 -8.436 -14.850 21.861 494 HA LYS 76 HA LYS 76 -8.071 -15.079 24.804 495 1HB LYS 76 1HB LYS 76 -8.074 -13.002 22.843 496 2HB LYS 76 2HB LYS 76 -9.406 -12.688 23.956 497 1HG LYS 76 1HG LYS 76 -6.502 -13.155 24.700 498 2HG LYS 76 2HG LYS 76 -7.386 -11.633 24.823 499 1HD LYS 76 1HD LYS 76 -8.132 -12.217 26.865 500 2HD LYS 76 2HD LYS 76 -8.884 -13.660 26.186 501 1HE LYS 76 1HE LYS 76 -6.136 -14.259 26.256 502 2HE LYS 76 2HE LYS 76 -6.476 -13.456 27.801 503 1HZ LYS 76 1HZ LYS 76 -8.466 -14.885 27.999 504 2HZ LYS 76 2HZ LYS 76 -7.988 -15.719 26.598 505 3HZ LYS 76 3HZ LYS 76 -7.023 -15.780 27.994 506 H GLU 77 H GLU 77 -10.313 -16.046 22.557 507 HA GLU 77 HA GLU 77 -12.350 -16.721 24.405 508 1HB GLU 77 1HB GLU 77 -12.191 -13.947 23.862 509 2HB GLU 77 2HB GLU 77 -13.619 -14.530 23.007 510 1HG GLU 77 1HG GLU 77 -13.776 -15.842 25.443 511 2HG GLU 77 2HG GLU 77 -13.157 -14.251 25.889 512 H GLY 78 H GLY 78 -14.157 -17.729 23.342 513 1HA GLY 78 1HA GLY 78 -14.278 -17.607 20.391 514 2HA GLY 78 2HA GLY 78 -15.447 -18.406 21.440 515 H GLU 79 H GLU 79 -15.007 -20.099 19.634 516 HA GLU 79 HA GLU 79 -12.699 -21.824 20.480 517 1HB GLU 79 1HB GLU 79 -14.967 -22.577 21.202 518 2HB GLU 79 2HB GLU 79 -15.465 -22.615 19.510 519 1HG GLU 79 1HG GLU 79 -13.936 -24.370 18.996 520 2HG GLU 79 2HG GLU 79 -13.065 -24.158 20.513 521 H ILE 80 H ILE 80 -11.327 -22.370 18.822 522 HA ILE 80 HA ILE 80 -12.175 -21.724 16.028 523 HB ILE 80 HB ILE 80 -9.477 -22.127 17.360 524 1HG1 ILE 80 1HG1 ILE 80 -10.901 -19.656 16.327 525 2HG1 ILE 80 2HG1 ILE 80 -10.600 -20.049 18.020 526 1HG2 ILE 80 1HG2 ILE 80 -10.176 -22.372 14.634 527 2HG2 ILE 80 2HG2 ILE 80 -9.417 -20.788 14.800 528 3HG2 ILE 80 3HG2 ILE 80 -8.553 -22.238 15.309 529 1HD1 ILE 80 1HD1 ILE 80 -8.440 -19.647 15.927 530 2HD1 ILE 80 2HD1 ILE 80 -8.929 -18.437 17.113 531 3HD1 ILE 80 3HD1 ILE 80 -8.184 -19.943 17.647 532 H ASP 81 H ASP 81 -12.448 -23.396 14.590 533 HA ASP 81 HA ASP 81 -12.118 -26.163 15.490 534 1HB ASP 81 1HB ASP 81 -14.003 -25.304 14.094 535 2HB ASP 81 2HB ASP 81 -12.857 -24.978 12.793 536 H MET 82 H MET 82 -10.394 -27.494 14.996 537 HA MET 82 HA MET 82 -8.375 -26.474 13.021 538 1HB MET 82 1HB MET 82 -6.729 -27.610 14.602 539 2HB MET 82 2HB MET 82 -7.541 -26.190 15.262 540 1HG MET 82 1HG MET 82 -8.914 -27.460 16.658 541 2HG MET 82 2HG MET 82 -8.773 -28.901 15.651 542 1HE MET 82 1HE MET 82 -8.763 -28.481 18.570 543 2HE MET 82 2HE MET 82 -8.153 -30.131 18.484 544 3HE MET 82 3HE MET 82 -7.292 -28.931 19.441 545 H ASP 83 H ASP 83 -7.202 -28.169 11.883 546 HA ASP 83 HA ASP 83 -8.813 -30.643 11.533 547 1HB ASP 83 1HB ASP 83 -7.323 -30.830 9.504 548 2HB ASP 83 2HB ASP 83 -8.256 -29.334 9.565 549 H MET 84 H MET 84 -6.959 -32.448 10.691 550 HA MET 84 HA MET 84 -5.838 -33.520 13.072 551 1HB MET 84 1HB MET 84 -6.149 -34.176 10.346 552 2HB MET 84 2HB MET 84 -4.419 -34.304 10.666 553 1HG MET 84 1HG MET 84 -4.694 -36.151 11.946 554 2HG MET 84 2HG MET 84 -6.051 -35.437 12.818 555 1HE MET 84 1HE MET 84 -5.512 -38.133 12.265 556 2HE MET 84 2HE MET 84 -7.236 -38.488 12.344 557 3HE MET 84 3HE MET 84 -6.289 -38.990 10.937 558 H GLN 85 H GLN 85 -3.818 -33.265 14.036 559 HA GLN 85 HA GLN 85 -1.492 -32.210 12.707 560 1HB GLN 85 1HB GLN 85 -1.543 -29.940 13.490 561 2HB GLN 85 2HB GLN 85 -3.129 -30.249 12.784 562 1HG GLN 85 1HG GLN 85 -3.886 -30.899 15.147 563 2HG GLN 85 2HG GLN 85 -2.376 -30.181 15.711 564 2HE2 GLN 85 2HE2 GLN 85 -4.328 -28.775 16.750 565 1HE2 GLN 85 1HE2 GLN 85 -4.720 -27.378 15.872 566 H GLN 86 H GLN 86 0.292 -32.592 14.017 567 HA GLN 86 HA GLN 86 -0.248 -33.243 16.898 568 1HB GLN 86 1HB GLN 86 1.640 -34.431 14.843 569 2HB GLN 86 2HB GLN 86 1.714 -34.822 16.560 570 1HG GLN 86 1HG GLN 86 -0.760 -35.164 14.842 571 2HG GLN 86 2HG GLN 86 0.366 -36.466 15.228 572 2HE2 GLN 86 2HE2 GLN 86 0.104 -37.504 17.244 573 1HE2 GLN 86 1HE2 GLN 86 -0.980 -36.989 18.444 574 H ILE 87 H ILE 87 0.667 -30.684 15.465 575 HA ILE 87 HA ILE 87 3.450 -30.363 16.407 576 HB ILE 87 HB ILE 87 2.532 -29.471 14.238 577 1HG1 ILE 87 1HG1 ILE 87 3.532 -27.199 14.503 578 2HG1 ILE 87 2HG1 ILE 87 3.553 -27.442 16.249 579 1HG2 ILE 87 1HG2 ILE 87 0.307 -28.846 15.391 580 2HG2 ILE 87 2HG2 ILE 87 1.149 -27.399 15.945 581 3HG2 ILE 87 3HG2 ILE 87 0.955 -27.699 14.218 582 1HD1 ILE 87 1HD1 ILE 87 4.781 -29.590 14.598 583 2HD1 ILE 87 2HD1 ILE 87 5.652 -28.059 14.670 584 3HD1 ILE 87 3HD1 ILE 87 5.291 -28.938 16.156 585 H LEU 88 H LEU 88 0.180 -29.320 17.295 586 HA LEU 88 HA LEU 88 1.329 -27.842 19.634 587 1HB LEU 88 1HB LEU 88 -0.611 -27.240 17.665 588 2HB LEU 88 2HB LEU 88 -1.501 -27.464 19.170 589 HG LEU 88 HG LEU 88 0.331 -25.957 20.227 590 1HD1 LEU 88 1HD1 LEU 88 1.246 -26.091 17.537 591 2HD1 LEU 88 2HD1 LEU 88 0.696 -24.438 17.816 592 3HD1 LEU 88 3HD1 LEU 88 1.927 -25.148 18.862 593 1HD2 LEU 88 1HD2 LEU 88 -2.168 -25.451 19.174 594 2HD2 LEU 88 2HD2 LEU 88 -1.223 -24.305 20.127 595 3HD2 LEU 88 3HD2 LEU 88 -1.169 -24.243 18.365 596 H SER 89 H SER 89 -0.126 -27.981 21.633 597 HA SER 89 HA SER 89 -1.151 -30.784 21.948 598 1HB SER 89 1HB SER 89 0.456 -30.816 23.548 599 2HB SER 89 2HB SER 89 0.708 -29.077 23.416 600 HG SER 89 HG SER 89 -0.084 -29.639 25.466 601 H ASP 90 H ASP 90 -3.172 -31.031 22.977 602 HA ASP 90 HA ASP 90 -5.146 -29.043 22.716 603 1HB ASP 90 1HB ASP 90 -6.474 -30.547 24.106 604 2HB ASP 90 2HB ASP 90 -5.439 -31.509 23.051 605 H GLU 91 H GLU 91 -3.037 -29.753 25.478 606 HA GLU 91 HA GLU 91 -4.297 -28.089 27.419 607 1HB GLU 91 1HB GLU 91 -1.736 -29.453 26.948 608 2HB GLU 91 2HB GLU 91 -1.577 -28.008 27.946 609 1HG GLU 91 1HG GLU 91 -3.907 -29.592 28.700 610 2HG GLU 91 2HG GLU 91 -2.415 -30.525 28.816 611 H GLU 92 H GLU 92 -1.904 -27.355 24.897 612 HA GLU 92 HA GLU 92 -1.432 -24.620 25.728 613 1HB GLU 92 1HB GLU 92 -0.734 -26.487 23.575 614 2HB GLU 92 2HB GLU 92 -0.878 -24.822 23.015 615 1HG GLU 92 1HG GLU 92 0.548 -24.275 25.155 616 2HG GLU 92 2HG GLU 92 1.000 -25.978 25.057 617 H VAL 93 H VAL 93 -3.840 -26.213 23.721 618 HA VAL 93 HA VAL 93 -4.805 -23.804 22.404 619 HB VAL 93 HB VAL 93 -5.893 -26.597 22.864 620 1HG1 VAL 93 1HG1 VAL 93 -7.643 -24.730 22.498 621 2HG1 VAL 93 2HG1 VAL 93 -6.975 -24.604 20.872 622 3HG1 VAL 93 3HG1 VAL 93 -7.701 -26.118 21.411 623 1HG2 VAL 93 1HG2 VAL 93 -4.038 -25.377 21.003 624 2HG2 VAL 93 2HG2 VAL 93 -4.461 -27.079 21.190 625 3HG2 VAL 93 3HG2 VAL 93 -5.426 -26.041 20.140 626 H GLU 94 H GLU 94 -5.682 -25.617 25.329 627 HA GLU 94 HA GLU 94 -7.917 -23.729 25.876 628 1HB GLU 94 1HB GLU 94 -8.131 -26.231 26.042 629 2HB GLU 94 2HB GLU 94 -6.962 -26.195 27.363 630 1HG GLU 94 1HG GLU 94 -8.426 -25.054 28.797 631 2HG GLU 94 2HG GLU 94 -9.409 -24.446 27.465 632 H GLU 95 H GLU 95 -4.706 -24.622 27.033 633 HA GLU 95 HA GLU 95 -4.970 -22.848 29.402 634 1HB GLU 95 1HB GLU 95 -3.886 -25.239 29.179 635 2HB GLU 95 2HB GLU 95 -2.498 -24.341 28.566 636 1HG GLU 95 1HG GLU 95 -3.556 -23.055 30.933 637 2HG GLU 95 2HG GLU 95 -3.200 -24.749 31.267 638 H LYS 96 H LYS 96 -3.082 -23.127 26.385 639 HA LYS 96 HA LYS 96 -1.843 -20.469 26.938 640 1HB LYS 96 1HB LYS 96 -0.786 -22.813 26.104 641 2HB LYS 96 2HB LYS 96 -1.166 -22.094 24.538 642 1HG LYS 96 1HG LYS 96 0.449 -20.506 24.745 643 2HG LYS 96 2HG LYS 96 0.088 -20.232 26.450 644 1HD LYS 96 1HD LYS 96 1.145 -22.764 26.508 645 2HD LYS 96 2HD LYS 96 2.081 -22.020 25.212 646 1HE LYS 96 1HE LYS 96 3.294 -21.509 27.209 647 2HE LYS 96 2HE LYS 96 2.384 -20.026 26.858 648 1HZ LYS 96 1HZ LYS 96 1.056 -22.136 28.399 649 2HZ LYS 96 2HZ LYS 96 2.229 -21.207 29.200 650 3HZ LYS 96 3HZ LYS 96 0.879 -20.450 28.503 651 H ASP 97 H ASP 97 -4.498 -21.765 25.302 652 HA ASP 97 HA ASP 97 -5.944 -20.856 23.659 653 1HB ASP 97 1HB ASP 97 -4.430 -18.574 24.878 654 2HB ASP 97 2HB ASP 97 -5.452 -18.242 23.476 655 H VAL 98 H VAL 98 -3.102 -21.794 22.956 656 HA VAL 98 HA VAL 98 -2.389 -20.073 20.677 657 HB VAL 98 HB VAL 98 -1.319 -22.645 21.871 658 1HG1 VAL 98 1HG1 VAL 98 -0.920 -22.575 19.415 659 2HG1 VAL 98 2HG1 VAL 98 -0.159 -20.995 19.603 660 3HG1 VAL 98 3HG1 VAL 98 0.577 -22.421 20.334 661 1HG2 VAL 98 1HG2 VAL 98 -0.323 -19.780 21.807 662 2HG2 VAL 98 2HG2 VAL 98 -0.926 -20.651 23.218 663 3HG2 VAL 98 3HG2 VAL 98 0.590 -21.139 22.461 664 H ARG 99 H ARG 99 -2.603 -20.654 18.508 665 HA ARG 99 HA ARG 99 -3.644 -23.283 17.715 666 1HB ARG 99 1HB ARG 99 -5.301 -20.774 17.871 667 2HB ARG 99 2HB ARG 99 -5.662 -21.982 16.638 668 1HG ARG 99 1HG ARG 99 -5.484 -23.640 18.713 669 2HG ARG 99 2HG ARG 99 -5.888 -22.180 19.616 670 1HD ARG 99 1HD ARG 99 -7.615 -22.273 17.343 671 2HD ARG 99 2HD ARG 99 -7.659 -23.867 18.121 672 HE ARG 99 HE ARG 99 -8.113 -21.292 19.596 673 1HH1 ARG 99 1HH1 ARG 99 -9.463 -24.202 18.576 674 2HH1 ARG 99 2HH1 ARG 99 -10.174 -24.606 20.104 675 1HH2 ARG 99 1HH2 ARG 99 -8.635 -22.008 21.808 676 2HH2 ARG 99 2HH2 ARG 99 -9.705 -23.364 21.933 677 H LEU 100 H LEU 100 -4.023 -23.239 15.235 678 HA LEU 100 HA LEU 100 -1.927 -21.492 14.014 679 1HB LEU 100 1HB LEU 100 -3.258 -23.998 12.948 680 2HB LEU 100 2HB LEU 100 -1.768 -23.257 12.366 681 HG LEU 100 HG LEU 100 -2.214 -24.533 15.080 682 1HD1 LEU 100 1HD1 LEU 100 -0.747 -25.299 12.570 683 2HD1 LEU 100 2HD1 LEU 100 -0.170 -25.878 14.133 684 3HD1 LEU 100 3HD1 LEU 100 -1.797 -26.286 13.586 685 1HD2 LEU 100 1HD2 LEU 100 -0.790 -22.512 15.229 686 2HD2 LEU 100 2HD2 LEU 100 0.148 -23.980 15.508 687 3HD2 LEU 100 3HD2 LEU 100 0.242 -23.155 13.951 688 H THR 101 H THR 101 -2.766 -19.716 12.994 689 HA THR 101 HA THR 101 -5.545 -19.603 12.091 690 HB THR 101 HB THR 101 -4.858 -17.323 11.417 691 HG1 THR 101 HG1 THR 101 -2.375 -18.525 11.605 692 1HG2 THR 101 1HG2 THR 101 -5.353 -17.784 13.797 693 2HG2 THR 101 2HG2 THR 101 -3.653 -18.168 14.066 694 3HG2 THR 101 3HG2 THR 101 -4.127 -16.529 13.622 695 H CYS 102 H CYS 102 -2.547 -20.627 10.733 696 HA CYS 102 HA CYS 102 -3.105 -20.033 7.947 697 1HB CYS 102 1HB CYS 102 -1.172 -21.508 7.590 698 2HB CYS 102 2HB CYS 102 -0.857 -20.435 8.953 699 H ILE 103 H ILE 103 -3.843 -22.702 10.130 700 HA ILE 103 HA ILE 103 -5.457 -23.958 7.940 701 HB ILE 103 HB ILE 103 -4.658 -26.152 8.853 702 1HG1 ILE 103 1HG1 ILE 103 -2.320 -25.315 10.205 703 2HG1 ILE 103 2HG1 ILE 103 -3.648 -24.393 10.909 704 1HG2 ILE 103 1HG2 ILE 103 -3.022 -24.118 7.503 705 2HG2 ILE 103 2HG2 ILE 103 -2.068 -25.384 8.274 706 3HG2 ILE 103 3HG2 ILE 103 -3.289 -25.808 7.076 707 1HD1 ILE 103 1HD1 ILE 103 -3.647 -27.403 10.531 708 2HD1 ILE 103 2HD1 ILE 103 -3.295 -26.583 12.052 709 3HD1 ILE 103 3HD1 ILE 103 -4.898 -26.450 11.330 710 H GLY 104 H GLY 104 -5.961 -22.252 10.493 711 1HA GLY 104 1HA GLY 104 -7.074 -22.891 12.666 712 2HA GLY 104 2HA GLY 104 -7.899 -24.154 11.754 713 H SER 105 H SER 105 -10.008 -23.381 12.088 714 HA SER 105 HA SER 105 -10.606 -20.645 11.009 715 1HB SER 105 1HB SER 105 -12.374 -21.576 9.718 716 2HB SER 105 2HB SER 105 -11.035 -22.704 9.503 717 HG SER 105 HG SER 105 -12.246 -24.165 10.351 718 HA PRO 106 HA PRO 106 -12.866 -20.246 14.771 719 1HB PRO 106 1HB PRO 106 -14.506 -18.176 14.059 720 2HB PRO 106 2HB PRO 106 -12.781 -17.963 14.415 721 1HG PRO 106 1HG PRO 106 -14.176 -18.118 11.788 722 2HG PRO 106 2HG PRO 106 -12.811 -17.107 12.282 723 1HD PRO 106 1HD PRO 106 -12.571 -19.393 10.783 724 2HD PRO 106 2HD PRO 106 -11.279 -18.740 11.812 725 H ALA 107 H ALA 107 -14.733 -21.204 15.574 726 HA ALA 107 HA ALA 107 -16.820 -22.003 13.574 727 1HB ALA 107 1HB ALA 107 -16.706 -23.465 16.110 728 2HB ALA 107 2HB ALA 107 -16.656 -24.087 14.461 729 3HB ALA 107 3HB ALA 107 -15.177 -23.513 15.233 730 H ALA 108 H ALA 108 -16.200 -20.576 16.730 731 HA ALA 108 HA ALA 108 -19.055 -20.441 17.444 732 1HB ALA 108 1HB ALA 108 -17.391 -20.787 19.169 733 2HB ALA 108 2HB ALA 108 -18.060 -19.172 19.397 734 3HB ALA 108 3HB ALA 108 -16.480 -19.373 18.640 735 H ASP 109 H ASP 109 -19.811 -18.132 18.182 736 HA ASP 109 HA ASP 109 -19.778 -16.393 15.856 737 1HB ASP 109 1HB ASP 109 -21.337 -16.866 18.139 738 2HB ASP 109 2HB ASP 109 -20.736 -15.221 18.347 739 H GLU 110 H GLU 110 -19.093 -15.375 19.204 740 HA GLU 110 HA GLU 110 -17.174 -13.365 18.245 741 1HB GLU 110 1HB GLU 110 -18.887 -13.835 20.470 742 2HB GLU 110 2HB GLU 110 -17.244 -13.728 21.102 743 1HG GLU 110 1HG GLU 110 -16.916 -11.577 20.007 744 2HG GLU 110 2HG GLU 110 -18.489 -11.700 19.220 745 H VAL 111 H VAL 111 -15.045 -13.922 17.904 746 HA VAL 111 HA VAL 111 -13.809 -15.929 19.751 747 HB VAL 111 HB VAL 111 -13.269 -15.777 16.780 748 1HG1 VAL 111 1HG1 VAL 111 -11.734 -16.958 18.494 749 2HG1 VAL 111 2HG1 VAL 111 -13.032 -18.142 18.641 750 3HG1 VAL 111 3HG1 VAL 111 -12.242 -17.888 17.085 751 1HG2 VAL 111 1HG2 VAL 111 -15.518 -17.077 18.267 752 2HG2 VAL 111 2HG2 VAL 111 -15.504 -16.368 16.653 753 3HG2 VAL 111 3HG2 VAL 111 -14.793 -17.958 16.922 754 H LYS 112 H LYS 112 -12.629 -14.299 20.862 755 HA LYS 112 HA LYS 112 -11.007 -12.363 19.337 756 1HB LYS 112 1HB LYS 112 -11.401 -13.010 22.273 757 2HB LYS 112 2HB LYS 112 -10.374 -11.697 21.698 758 1HG LYS 112 1HG LYS 112 -12.154 -10.371 21.261 759 2HG LYS 112 2HG LYS 112 -13.016 -11.675 20.443 760 1HD LYS 112 1HD LYS 112 -14.403 -11.601 22.243 761 2HD LYS 112 2HD LYS 112 -13.122 -12.493 23.064 762 1HE LYS 112 1HE LYS 112 -12.315 -10.577 24.154 763 2HE LYS 112 2HE LYS 112 -13.024 -9.480 22.954 764 1HZ LYS 112 1HZ LYS 112 -15.233 -10.517 23.698 765 2HZ LYS 112 2HZ LYS 112 -14.381 -11.039 25.071 766 3HZ LYS 112 3HZ LYS 112 -14.510 -9.379 24.732 767 H ILE 113 H ILE 113 -8.745 -12.471 19.156 768 HA ILE 113 HA ILE 113 -7.187 -14.510 20.578 769 HB ILE 113 HB ILE 113 -8.129 -15.895 18.866 770 1HG1 ILE 113 1HG1 ILE 113 -5.529 -15.007 17.619 771 2HG1 ILE 113 2HG1 ILE 113 -5.557 -15.849 19.168 772 1HG2 ILE 113 1HG2 ILE 113 -7.633 -13.478 17.144 773 2HG2 ILE 113 2HG2 ILE 113 -7.760 -15.075 16.406 774 3HG2 ILE 113 3HG2 ILE 113 -9.111 -14.421 17.332 775 1HD1 ILE 113 1HD1 ILE 113 -7.241 -17.106 17.110 776 2HD1 ILE 113 2HD1 ILE 113 -5.526 -17.084 16.704 777 3HD1 ILE 113 3HD1 ILE 113 -6.067 -17.839 18.203 778 H VAL 114 H VAL 114 -4.958 -14.010 20.527 779 HA VAL 114 HA VAL 114 -4.264 -11.331 19.528 780 HB VAL 114 HB VAL 114 -2.455 -13.425 20.749 781 1HG1 VAL 114 1HG1 VAL 114 -1.586 -11.200 19.823 782 2HG1 VAL 114 2HG1 VAL 114 -2.481 -10.426 21.131 783 3HG1 VAL 114 3HG1 VAL 114 -1.178 -11.556 21.502 784 1HG2 VAL 114 1HG2 VAL 114 -4.845 -12.299 21.876 785 2HG2 VAL 114 2HG2 VAL 114 -3.690 -13.396 22.631 786 3HG2 VAL 114 3HG2 VAL 114 -3.450 -11.652 22.739 787 H TYR 115 H TYR 115 -3.281 -10.966 17.572 788 HA TYR 115 HA TYR 115 -2.514 -13.319 15.935 789 1HB TYR 115 1HB TYR 115 -3.310 -12.039 14.234 790 2HB TYR 115 2HB TYR 115 -3.929 -10.976 15.493 791 HD1 TYR 115 HD1 TYR 115 -2.757 -8.888 16.079 792 HD2 TYR 115 HD2 TYR 115 -1.311 -11.471 12.963 793 HE1 TYR 115 HE1 TYR 115 -1.274 -7.078 15.266 794 HE2 TYR 115 HE2 TYR 115 0.174 -9.657 12.153 795 HH TYR 115 HH TYR 115 -0.128 -6.711 12.575 796 H ASN 116 H ASN 116 -0.418 -13.622 15.139 797 HA ASN 116 HA ASN 116 1.911 -13.271 14.874 798 1HB ASN 116 1HB ASN 116 0.756 -10.717 15.076 799 2HB ASN 116 2HB ASN 116 2.086 -10.708 16.228 800 2HD2 ASN 116 2HD2 ASN 116 4.203 -11.797 15.235 801 1HD2 ASN 116 1HD2 ASN 116 4.568 -11.343 13.640 802 H ALA 117 H ALA 117 1.284 -14.890 16.895 803 HA ALA 117 HA ALA 117 2.095 -13.923 19.523 804 1HB ALA 117 1HB ALA 117 2.106 -16.468 19.925 805 2HB ALA 117 2HB ALA 117 0.580 -15.758 19.398 806 3HB ALA 117 3HB ALA 117 1.599 -16.617 18.243 807 H LYS 118 H LYS 118 3.774 -15.162 16.727 808 HA LYS 118 HA LYS 118 6.078 -16.348 17.727 809 1HB LYS 118 1HB LYS 118 7.173 -15.329 15.727 810 2HB LYS 118 2HB LYS 118 5.582 -15.990 15.351 811 1HG LYS 118 1HG LYS 118 4.650 -13.915 15.020 812 2HG LYS 118 2HG LYS 118 5.679 -13.146 16.229 813 1HD LYS 118 1HD LYS 118 6.576 -14.066 13.481 814 2HD LYS 118 2HD LYS 118 6.274 -12.394 13.952 815 1HE LYS 118 1HE LYS 118 8.013 -12.801 15.828 816 2HE LYS 118 2HE LYS 118 8.474 -14.241 14.902 817 H HIS 119 H HIS 119 5.064 -13.017 18.058 818 HA HIS 119 HA HIS 119 7.553 -11.780 18.696 819 1HB HIS 119 1HB HIS 119 4.660 -11.321 19.454 820 2HB HIS 119 2HB HIS 119 5.938 -10.231 19.994 821 HD1 HIS 119 HD1 HIS 119 7.678 -9.832 17.638 822 HD2 HIS 119 HD2 HIS 119 3.545 -10.173 17.210 823 HE1 HIS 119 HE1 HIS 119 7.098 -8.764 15.416 824 H LEU 120 H LEU 120 5.455 -13.904 20.534 825 HA LEU 120 HA LEU 120 6.021 -13.407 23.192 826 1HB LEU 120 1HB LEU 120 5.229 -15.600 21.532 827 2HB LEU 120 2HB LEU 120 6.389 -16.205 22.715 828 HG LEU 120 HG LEU 120 4.809 -14.545 24.246 829 1HD1 LEU 120 1HD1 LEU 120 3.318 -14.430 22.139 830 2HD1 LEU 120 2HD1 LEU 120 2.902 -16.105 22.502 831 3HD1 LEU 120 3HD1 LEU 120 2.533 -14.832 23.664 832 1HD2 LEU 120 1HD2 LEU 120 5.257 -17.393 23.864 833 2HD2 LEU 120 2HD2 LEU 120 4.979 -16.501 25.359 834 3HD2 LEU 120 3HD2 LEU 120 3.610 -17.074 24.407 835 H ASP 121 H ASP 121 7.709 -14.246 24.651 836 HA ASP 121 HA ASP 121 10.395 -13.871 23.597 837 1HB ASP 121 1HB ASP 121 8.982 -14.063 26.128 838 2HB ASP 121 2HB ASP 121 10.489 -14.978 26.182 839 H TYR 122 H TYR 122 8.305 -16.600 23.995 840 HA TYR 122 HA TYR 122 10.394 -18.618 24.264 841 1HB TYR 122 1HB TYR 122 8.093 -18.911 25.081 842 2HB TYR 122 2HB TYR 122 7.474 -18.739 23.438 843 HD1 TYR 122 HD1 TYR 122 10.575 -20.517 24.459 844 HD2 TYR 122 HD2 TYR 122 6.523 -20.906 23.090 845 HE1 TYR 122 HE1 TYR 122 10.940 -22.939 24.072 846 HE2 TYR 122 HE2 TYR 122 6.886 -23.329 22.703 847 HH TYR 122 HH TYR 122 9.770 -24.733 22.429 848 H LEU 123 H LEU 123 8.937 -16.889 21.618 849 HA LEU 123 HA LEU 123 10.052 -18.842 19.649 850 1HB LEU 123 1HB LEU 123 7.980 -16.641 19.569 851 2HB LEU 123 2HB LEU 123 8.594 -17.393 18.096 852 HG LEU 123 HG LEU 123 7.849 -19.354 20.140 853 1HD1 LEU 123 1HD1 LEU 123 6.190 -17.474 20.559 854 2HD1 LEU 123 2HD1 LEU 123 5.619 -17.717 18.908 855 3HD1 LEU 123 3HD1 LEU 123 5.470 -19.015 20.093 856 1HD2 LEU 123 1HD2 LEU 123 8.331 -19.864 17.765 857 2HD2 LEU 123 2HD2 LEU 123 6.698 -20.359 18.211 858 3HD2 LEU 123 3HD2 LEU 123 6.949 -18.881 17.281 859 H GLN 124 H GLN 124 10.208 -15.466 20.707 860 HA GLN 124 HA GLN 124 11.792 -14.409 18.583 861 1HB GLN 124 1HB GLN 124 11.033 -13.765 21.359 862 2HB GLN 124 2HB GLN 124 12.570 -13.060 20.856 863 1HG GLN 124 1HG GLN 124 10.928 -12.642 18.657 864 2HG GLN 124 2HG GLN 124 9.848 -12.372 20.025 865 2HE2 GLN 124 2HE2 GLN 124 10.572 -10.162 18.439 866 1HE2 GLN 124 1HE2 GLN 124 11.621 -9.154 19.314 867 H ASN 125 H ASN 125 12.628 -16.352 21.396 868 HA ASN 125 HA ASN 125 15.375 -15.973 21.675 869 1HB ASN 125 1HB ASN 125 13.382 -17.910 22.308 870 2HB ASN 125 2HB ASN 125 14.775 -18.785 21.668 871 2HD2 ASN 125 2HD2 ASN 125 14.610 -15.761 23.631 872 1HD2 ASN 125 1HD2 ASN 125 15.595 -16.346 24.883 873 H ARG 126 H ARG 126 13.680 -17.834 19.162 874 HA ARG 126 HA ARG 126 16.236 -18.625 17.896 875 1HB ARG 126 1HB ARG 126 13.813 -19.812 18.195 876 2HB ARG 126 2HB ARG 126 13.600 -19.089 16.602 877 1HG ARG 126 1HG ARG 126 14.702 -20.894 15.797 878 2HG ARG 126 2HG ARG 126 16.157 -20.168 16.478 879 1HD ARG 126 1HD ARG 126 14.360 -21.839 18.233 880 2HD ARG 126 2HD ARG 126 15.553 -22.619 17.177 881 HE ARG 126 HE ARG 126 17.290 -21.183 18.293 882 1HH1 ARG 126 1HH1 ARG 126 14.723 -22.563 19.972 883 2HH1 ARG 126 2HH1 ARG 126 15.017 -21.722 21.458 884 1HH2 ARG 126 1HH2 ARG 126 17.451 -19.651 20.115 885 2HH2 ARG 126 2HH2 ARG 126 16.561 -20.074 21.539 886 H VAL 127 H VAL 127 15.388 -15.736 18.015 887 HA VAL 127 HA VAL 127 14.489 -14.947 15.369 888 HB VAL 127 HB VAL 127 14.197 -13.629 17.452 889 1HG1 VAL 127 1HG1 VAL 127 17.028 -14.154 17.652 890 2HG1 VAL 127 2HG1 VAL 127 16.740 -12.414 17.700 891 3HG1 VAL 127 3HG1 VAL 127 15.943 -13.472 18.865 892 1HG2 VAL 127 1HG2 VAL 127 15.455 -12.606 14.990 893 2HG2 VAL 127 2HG2 VAL 127 14.009 -12.047 15.831 894 3HG2 VAL 127 3HG2 VAL 127 15.603 -11.528 16.378 895 H ILE 128 H ILE 128 16.326 -16.569 14.496 896 HA ILE 128 HA ILE 128 19.045 -15.516 14.437 897 HB ILE 128 HB ILE 128 19.345 -17.390 12.840 898 1HG1 ILE 128 1HG1 ILE 128 16.570 -18.337 13.096 899 2HG1 ILE 128 2HG1 ILE 128 16.732 -16.862 12.141 900 1HG2 ILE 128 1HG2 ILE 128 17.600 -18.003 15.244 901 2HG2 ILE 128 2HG2 ILE 128 18.526 -19.210 14.351 902 3HG2 ILE 128 3HG2 ILE 128 19.362 -17.921 15.218 903 1HD1 ILE 128 1HD1 ILE 128 18.781 -18.895 11.554 904 2HD1 ILE 128 2HD1 ILE 128 17.137 -19.407 11.173 905 3HD1 ILE 128 3HD1 ILE 128 17.796 -17.940 10.447 No H/Q in entry = 905 Start of MODEL 13 1 H2 PRO 1 H2 PRO 1 -19.965 -14.078 13.481 2 H3 PRO 1 H3 PRO 1 -20.280 -15.750 13.502 3 HA PRO 1 HA PRO 1 -18.116 -16.104 13.217 4 1HB PRO 1 1HB PRO 1 -17.503 -15.130 10.735 5 2HB PRO 1 2HB PRO 1 -18.491 -16.582 10.986 6 1HG PRO 1 1HG PRO 1 -19.332 -13.797 10.347 7 2HG PRO 1 2HG PRO 1 -19.977 -15.333 9.752 8 1HD PRO 1 1HD PRO 1 -21.170 -13.844 11.705 9 2HD PRO 1 2HD PRO 1 -21.339 -15.606 11.572 10 H THR 2 H THR 2 -18.237 -13.989 14.887 11 HA THR 2 HA THR 2 -16.389 -11.919 13.749 12 HB THR 2 HB THR 2 -18.299 -11.835 16.108 13 HG1 THR 2 HG1 THR 2 -18.510 -10.478 13.643 14 1HG2 THR 2 1HG2 THR 2 -16.349 -10.321 16.328 15 2HG2 THR 2 2HG2 THR 2 -16.725 -9.629 14.750 16 3HG2 THR 2 3HG2 THR 2 -17.849 -9.423 16.092 17 H VAL 3 H VAL 3 -14.453 -11.512 14.845 18 HA VAL 3 HA VAL 3 -13.948 -12.760 17.483 19 HB VAL 3 HB VAL 3 -13.437 -14.577 16.015 20 1HG1 VAL 3 1HG1 VAL 3 -12.945 -12.493 14.153 21 2HG1 VAL 3 2HG1 VAL 3 -11.465 -13.445 14.268 22 3HG1 VAL 3 3HG1 VAL 3 -12.987 -14.229 13.845 23 1HG2 VAL 3 1HG2 VAL 3 -11.507 -13.407 17.598 24 2HG2 VAL 3 2HG2 VAL 3 -11.366 -14.995 16.843 25 3HG2 VAL 3 3HG2 VAL 3 -10.673 -13.578 16.054 26 H GLU 4 H GLU 4 -12.937 -11.134 18.606 27 HA GLU 4 HA GLU 4 -11.661 -8.899 17.223 28 1HB GLU 4 1HB GLU 4 -12.941 -9.374 19.633 29 2HB GLU 4 2HB GLU 4 -11.258 -9.168 20.113 30 1HG GLU 4 1HG GLU 4 -11.308 -6.952 19.669 31 2HG GLU 4 2HG GLU 4 -12.076 -7.213 18.102 32 H TYR 5 H TYR 5 -9.627 -9.186 16.379 33 HA TYR 5 HA TYR 5 -7.715 -11.042 17.664 34 1HB TYR 5 1HB TYR 5 -6.354 -10.435 15.670 35 2HB TYR 5 2HB TYR 5 -7.983 -10.937 15.221 36 HD1 TYR 5 HD1 TYR 5 -5.790 -7.980 15.765 37 HD2 TYR 5 HD2 TYR 5 -9.500 -9.432 14.163 38 HE1 TYR 5 HE1 TYR 5 -6.154 -5.804 14.633 39 HE2 TYR 5 HE2 TYR 5 -9.865 -7.257 13.032 40 HH TYR 5 HH TYR 5 -7.928 -4.483 13.714 41 H LEU 6 H LEU 6 -5.694 -10.347 18.558 42 HA LEU 6 HA LEU 6 -5.396 -7.402 19.037 43 1HB LEU 6 1HB LEU 6 -6.186 -9.437 20.862 44 2HB LEU 6 2HB LEU 6 -4.545 -8.965 21.301 45 HG LEU 6 HG LEU 6 -6.912 -7.098 20.949 46 1HD1 LEU 6 1HD1 LEU 6 -5.314 -7.989 23.367 47 2HD1 LEU 6 2HD1 LEU 6 -6.486 -6.672 23.386 48 3HD1 LEU 6 3HD1 LEU 6 -7.016 -8.320 23.047 49 1HD2 LEU 6 1HD2 LEU 6 -3.969 -6.626 21.448 50 2HD2 LEU 6 2HD2 LEU 6 -4.999 -5.890 20.220 51 3HD2 LEU 6 3HD2 LEU 6 -5.189 -5.441 21.915 52 H ASN 7 H ASN 7 -3.220 -6.704 19.120 53 HA ASN 7 HA ASN 7 -1.219 -8.403 17.886 54 1HB ASN 7 1HB ASN 7 -1.326 -5.997 17.523 55 2HB ASN 7 2HB ASN 7 -1.155 -5.695 19.250 56 2HD2 ASN 7 2HD2 ASN 7 0.781 -4.409 18.025 57 1HD2 ASN 7 1HD2 ASN 7 2.254 -5.252 17.990 58 H TYR 8 H TYR 8 0.055 -9.863 18.959 59 HA TYR 8 HA TYR 8 0.002 -10.326 21.762 60 1HB TYR 8 1HB TYR 8 0.741 -12.021 20.236 61 2HB TYR 8 2HB TYR 8 1.974 -10.962 19.553 62 HD1 TYR 8 HD1 TYR 8 0.942 -12.685 22.700 63 HD2 TYR 8 HD2 TYR 8 4.146 -10.873 20.486 64 HE1 TYR 8 HE1 TYR 8 2.567 -13.487 24.394 65 HE2 TYR 8 HE2 TYR 8 5.771 -11.676 22.179 66 HH TYR 8 HH TYR 8 5.596 -12.313 24.735 67 H GLU 9 H GLU 9 2.067 -8.242 19.791 68 HA GLU 9 HA GLU 9 4.059 -7.676 21.784 69 1HB GLU 9 1HB GLU 9 3.872 -7.247 19.182 70 2HB GLU 9 2HB GLU 9 3.182 -5.705 19.691 71 1HG GLU 9 1HG GLU 9 5.158 -5.074 20.841 72 2HG GLU 9 2HG GLU 9 5.786 -6.723 20.838 73 H THR 10 H THR 10 0.927 -6.174 21.009 74 HA THR 10 HA THR 10 1.203 -3.887 22.729 75 HB THR 10 HB THR 10 -1.240 -5.445 21.812 76 HG1 THR 10 HG1 THR 10 -0.152 -3.096 20.694 77 1HG2 THR 10 1HG2 THR 10 -0.907 -3.088 23.476 78 2HG2 THR 10 2HG2 THR 10 -1.817 -2.711 22.013 79 3HG2 THR 10 3HG2 THR 10 -2.376 -3.985 23.096 80 H LEU 11 H LEU 11 0.471 -7.245 23.317 81 HA LEU 11 HA LEU 11 -0.776 -6.883 25.920 82 1HB LEU 11 1HB LEU 11 -0.586 -8.868 24.067 83 2HB LEU 11 2HB LEU 11 0.633 -9.404 25.223 84 HG LEU 11 HG LEU 11 -2.295 -8.847 25.753 85 1HD1 LEU 11 1HD1 LEU 11 -0.543 -11.235 25.536 86 2HD1 LEU 11 2HD1 LEU 11 -1.723 -11.257 26.846 87 3HD1 LEU 11 3HD1 LEU 11 -2.260 -11.063 25.177 88 1HD2 LEU 11 1HD2 LEU 11 -0.890 -7.884 27.558 89 2HD2 LEU 11 2HD2 LEU 11 -1.802 -9.284 28.122 90 3HD2 LEU 11 3HD2 LEU 11 -0.087 -9.442 27.747 91 H ASP 12 H ASP 12 2.492 -7.838 24.814 92 HA ASP 12 HA ASP 12 3.598 -7.990 27.498 93 1HB ASP 12 1HB ASP 12 4.860 -7.728 24.746 94 2HB ASP 12 2HB ASP 12 5.719 -8.196 26.214 95 H ASP 13 H ASP 13 3.918 -5.621 24.827 96 HA ASP 13 HA ASP 13 5.581 -3.731 26.078 97 1HB ASP 13 1HB ASP 13 4.519 -3.903 23.699 98 2HB ASP 13 2HB ASP 13 3.193 -2.974 24.397 99 H GLN 14 H GLN 14 1.996 -3.857 26.144 100 HA GLN 14 HA GLN 14 1.818 -1.683 28.094 101 1HB GLN 14 1HB GLN 14 -0.237 -3.722 27.179 102 2HB GLN 14 2HB GLN 14 -0.569 -2.154 27.915 103 1HG GLN 14 1HG GLN 14 1.102 -2.264 25.425 104 2HG GLN 14 2HG GLN 14 -0.649 -2.432 25.286 105 2HE2 GLN 14 2HE2 GLN 14 -0.247 -0.221 24.101 106 1HE2 GLN 14 1HE2 GLN 14 -0.300 1.173 25.070 107 H GLY 15 H GLY 15 2.413 -5.055 28.266 108 1HA GLY 15 1HA GLY 15 2.680 -5.082 31.099 109 2HA GLY 15 2HA GLY 15 2.576 -6.523 30.088 110 H TRP 16 H TRP 16 -0.052 -5.837 28.998 111 HA TRP 16 HA TRP 16 -1.863 -5.699 31.330 112 1HB TRP 16 1HB TRP 16 -2.119 -5.778 28.323 113 2HB TRP 16 2HB TRP 16 -3.538 -5.940 29.357 114 HD1 TRP 16 HD1 TRP 16 -2.407 -3.899 31.630 115 HE1 TRP 16 HE1 TRP 16 -2.534 -1.371 31.140 116 HE3 TRP 16 HE3 TRP 16 -2.805 -4.005 26.540 117 HZ2 TRP 16 HZ2 TRP 16 -2.776 0.376 28.885 118 HZ3 TRP 16 HZ3 TRP 16 -2.983 -1.899 25.247 119 HH2 TRP 16 HH2 TRP 16 -2.969 0.290 26.412 120 H ASP 17 H ASP 17 -3.662 -7.387 31.419 121 HA ASP 17 HA ASP 17 -2.469 -10.089 31.290 122 1HB ASP 17 1HB ASP 17 -4.320 -8.658 32.897 123 2HB ASP 17 2HB ASP 17 -5.219 -9.979 32.151 124 H MET 18 H MET 18 -4.765 -11.622 30.845 125 HA MET 18 HA MET 18 -4.953 -11.577 27.954 126 1HB MET 18 1HB MET 18 -6.480 -13.061 30.117 127 2HB MET 18 2HB MET 18 -6.519 -13.468 28.402 128 1HG MET 18 1HG MET 18 -3.811 -13.192 29.562 129 2HG MET 18 2HG MET 18 -4.751 -14.549 30.182 130 1HE MET 18 1HE MET 18 -2.751 -15.936 29.251 131 2HE MET 18 2HE MET 18 -2.327 -16.104 27.550 132 3HE MET 18 3HE MET 18 -1.984 -14.594 28.405 133 H ASP 19 H ASP 19 -7.351 -10.961 30.553 134 HA ASP 19 HA ASP 19 -8.672 -8.921 28.894 135 1HB ASP 19 1HB ASP 19 -9.388 -11.610 28.636 136 2HB ASP 19 2HB ASP 19 -10.618 -10.939 29.708 137 H ASP 20 H ASP 20 -7.477 -9.497 31.708 138 HA ASP 20 HA ASP 20 -9.698 -9.210 33.565 139 1HB ASP 20 1HB ASP 20 -7.147 -10.037 33.739 140 2HB ASP 20 2HB ASP 20 -6.917 -8.362 34.237 141 H ASP 21 H ASP 21 -7.159 -6.953 32.402 142 HA ASP 21 HA ASP 21 -8.467 -4.662 33.660 143 1HB ASP 21 1HB ASP 21 -6.189 -4.915 31.670 144 2HB ASP 21 2HB ASP 21 -6.588 -3.457 32.579 145 H ASP 22 H ASP 22 -7.334 -3.958 30.515 146 HA ASP 22 HA ASP 22 -10.075 -4.058 29.352 147 1HB ASP 22 1HB ASP 22 -8.362 -1.692 30.010 148 2HB ASP 22 2HB ASP 22 -9.327 -1.621 28.535 149 H LEU 23 H LEU 23 -8.013 -5.778 28.714 150 HA LEU 23 HA LEU 23 -6.131 -5.158 26.766 151 1HB LEU 23 1HB LEU 23 -7.926 -7.463 27.370 152 2HB LEU 23 2HB LEU 23 -7.031 -7.514 25.852 153 HG LEU 23 HG LEU 23 -5.724 -8.578 27.640 154 1HD1 LEU 23 1HD1 LEU 23 -4.750 -6.895 25.829 155 2HD1 LEU 23 2HD1 LEU 23 -4.364 -5.937 27.258 156 3HD1 LEU 23 3HD1 LEU 23 -3.711 -7.566 27.085 157 1HD2 LEU 23 1HD2 LEU 23 -6.831 -7.146 29.452 158 2HD2 LEU 23 2HD2 LEU 23 -5.098 -7.426 29.637 159 3HD2 LEU 23 3HD2 LEU 23 -5.681 -5.883 29.012 160 H PHE 24 H PHE 24 -9.010 -6.764 25.511 161 HA PHE 24 HA PHE 24 -8.883 -5.488 22.959 162 1HB PHE 24 1HB PHE 24 -10.942 -7.059 24.510 163 2HB PHE 24 2HB PHE 24 -11.292 -6.463 22.888 164 HD1 PHE 24 HD1 PHE 24 -9.535 -7.003 21.038 165 HD2 PHE 24 HD2 PHE 24 -9.782 -9.083 24.788 166 HE1 PHE 24 HE1 PHE 24 -8.273 -8.903 20.066 167 HE2 PHE 24 HE2 PHE 24 -8.519 -10.984 23.816 168 HZ PHE 24 HZ PHE 24 -7.762 -10.894 21.456 169 H GLU 25 H GLU 25 -9.967 -4.248 25.944 170 HA GLU 25 HA GLU 25 -12.020 -2.467 24.778 171 1HB GLU 25 1HB GLU 25 -11.900 -3.655 27.121 172 2HB GLU 25 2HB GLU 25 -10.874 -2.288 27.556 173 1HG GLU 25 1HG GLU 25 -12.987 -1.471 28.115 174 2HG GLU 25 2HG GLU 25 -12.805 -0.865 26.470 175 H LYS 26 H LYS 26 -8.968 -1.976 26.612 176 HA LYS 26 HA LYS 26 -8.788 0.832 25.992 177 1HB LYS 26 1HB LYS 26 -7.713 -0.492 27.881 178 2HB LYS 26 2HB LYS 26 -6.557 -1.094 26.693 179 1HG LYS 26 1HG LYS 26 -5.520 0.951 26.463 180 2HG LYS 26 2HG LYS 26 -6.996 1.856 26.797 181 1HD LYS 26 1HD LYS 26 -6.712 0.756 29.203 182 2HD LYS 26 2HD LYS 26 -5.021 0.672 28.709 183 1HE LYS 26 1HE LYS 26 -4.973 3.080 28.300 184 2HE LYS 26 2HE LYS 26 -6.709 3.202 28.643 185 1HZ LYS 26 1HZ LYS 26 -5.124 1.808 30.639 186 2HZ LYS 26 2HZ LYS 26 -4.801 3.469 30.509 187 3HZ LYS 26 3HZ LYS 26 -6.377 2.935 30.846 188 H ALA 27 H ALA 27 -7.639 -2.087 24.380 189 HA ALA 27 HA ALA 27 -5.697 -1.015 22.631 190 1HB ALA 27 1HB ALA 27 -7.635 -3.286 22.658 191 2HB ALA 27 2HB ALA 27 -5.876 -3.318 22.527 192 3HB ALA 27 3HB ALA 27 -6.860 -2.915 21.119 193 H ALA 28 H ALA 28 -9.213 -0.846 22.530 194 HA ALA 28 HA ALA 28 -9.313 0.262 19.816 195 1HB ALA 28 1HB ALA 28 -11.033 -1.130 21.296 196 2HB ALA 28 2HB ALA 28 -11.524 0.477 21.832 197 3HB ALA 28 3HB ALA 28 -11.613 0.052 20.123 198 H ASP 29 H ASP 29 -8.619 1.485 22.924 199 HA ASP 29 HA ASP 29 -9.270 4.279 22.034 200 1HB ASP 29 1HB ASP 29 -9.548 2.759 24.585 201 2HB ASP 29 2HB ASP 29 -9.099 4.458 24.720 202 H ALA 30 H ALA 30 -6.750 2.191 22.322 203 HA ALA 30 HA ALA 30 -4.847 4.075 23.606 204 1HB ALA 30 1HB ALA 30 -5.016 1.203 22.885 205 2HB ALA 30 2HB ALA 30 -4.279 1.964 24.295 206 3HB ALA 30 3HB ALA 30 -3.407 1.915 22.763 207 H GLY 31 H GLY 31 -5.806 2.920 20.439 208 1HA GLY 31 1HA GLY 31 -3.963 4.881 19.206 209 2HA GLY 31 2HA GLY 31 -5.291 4.056 18.388 210 H LEU 32 H LEU 32 -4.900 1.488 18.513 211 HA LEU 32 HA LEU 32 -2.024 0.886 17.982 212 1HB LEU 32 1HB LEU 32 -4.489 -0.773 18.578 213 2HB LEU 32 2HB LEU 32 -2.927 -1.486 18.173 214 HG LEU 32 HG LEU 32 -3.238 0.528 20.407 215 1HD1 LEU 32 1HD1 LEU 32 -3.404 -2.497 20.557 216 2HD1 LEU 32 2HD1 LEU 32 -3.286 -1.421 21.949 217 3HD1 LEU 32 3HD1 LEU 32 -4.711 -1.368 20.912 218 1HD2 LEU 32 1HD2 LEU 32 -1.164 -1.572 19.706 219 2HD2 LEU 32 2HD2 LEU 32 -0.966 0.178 19.595 220 3HD2 LEU 32 3HD2 LEU 32 -1.135 -0.593 21.173 221 H ASP 33 H ASP 33 -1.569 -0.518 16.070 222 HA ASP 33 HA ASP 33 -2.688 0.488 13.645 223 1HB ASP 33 1HB ASP 33 -0.526 -1.007 14.440 224 2HB ASP 33 2HB ASP 33 -1.501 -2.216 13.606 225 H GLY 34 H GLY 34 -3.997 -0.704 12.057 226 1HA GLY 34 1HA GLY 34 -5.927 -1.910 11.469 227 2HA GLY 34 2HA GLY 34 -6.329 -1.933 13.185 228 H GLU 35 H GLU 35 -3.448 -3.262 11.612 229 HA GLU 35 HA GLU 35 -4.320 -6.022 11.669 230 1HB GLU 35 1HB GLU 35 -1.833 -6.362 11.268 231 2HB GLU 35 2HB GLU 35 -2.610 -5.250 10.141 232 1HG GLU 35 1HG GLU 35 -1.443 -3.459 10.921 233 2HG GLU 35 2HG GLU 35 -1.597 -3.973 12.600 234 H ASP 36 H ASP 36 -3.516 -3.915 14.158 235 HA ASP 36 HA ASP 36 -2.222 -5.968 15.874 236 1HB ASP 36 1HB ASP 36 -1.202 -3.826 15.940 237 2HB ASP 36 2HB ASP 36 -2.754 -2.995 15.977 238 H TYR 37 H TYR 37 -5.170 -3.943 15.764 239 HA TYR 37 HA TYR 37 -6.506 -5.932 17.531 240 1HB TYR 37 1HB TYR 37 -5.710 -4.398 19.137 241 2HB TYR 37 2HB TYR 37 -5.973 -3.015 18.077 242 HD1 TYR 37 HD1 TYR 37 -7.612 -5.499 20.274 243 HD2 TYR 37 HD2 TYR 37 -8.155 -1.987 17.860 244 HE1 TYR 37 HE1 TYR 37 -9.859 -5.162 21.268 245 HE2 TYR 37 HE2 TYR 37 -10.400 -1.651 18.855 246 HH TYR 37 HH TYR 37 -11.428 -3.210 21.636 247 H GLY 38 H GLY 38 -8.713 -6.109 17.094 248 1HA GLY 38 1HA GLY 38 -9.688 -4.794 14.668 249 2HA GLY 38 2HA GLY 38 -10.524 -4.279 16.132 250 H THR 39 H THR 39 -12.440 -5.301 15.085 251 HA THR 39 HA THR 39 -12.788 -8.056 16.034 252 HB THR 39 HB THR 39 -14.863 -6.801 14.354 253 HG1 THR 39 HG1 THR 39 -14.514 -5.549 16.798 254 1HG2 THR 39 1HG2 THR 39 -15.209 -8.728 15.899 255 2HG2 THR 39 2HG2 THR 39 -14.822 -7.670 17.257 256 3HG2 THR 39 3HG2 THR 39 -16.254 -7.358 16.276 257 H MET 40 H MET 40 -12.294 -9.808 14.756 258 HA MET 40 HA MET 40 -11.934 -9.404 11.845 259 1HB MET 40 1HB MET 40 -10.182 -10.600 12.897 260 2HB MET 40 2HB MET 40 -11.303 -11.561 13.857 261 1HG MET 40 1HG MET 40 -12.089 -12.705 11.829 262 2HG MET 40 2HG MET 40 -11.016 -11.712 10.842 263 1HE MET 40 1HE MET 40 -8.706 -11.543 10.957 264 2HE MET 40 2HE MET 40 -7.609 -12.903 11.228 265 3HE MET 40 3HE MET 40 -8.816 -12.982 9.947 266 H GLU 41 H GLU 41 -13.255 -10.439 10.299 267 HA GLU 41 HA GLU 41 -15.696 -11.804 11.390 268 1HB GLU 41 1HB GLU 41 -16.081 -9.608 10.356 269 2HB GLU 41 2HB GLU 41 -15.251 -10.137 8.892 270 1HG GLU 41 1HG GLU 41 -17.519 -10.467 8.360 271 2HG GLU 41 2HG GLU 41 -16.999 -12.070 8.882 272 H VAL 42 H VAL 42 -14.824 -13.954 11.226 273 HA VAL 42 HA VAL 42 -14.129 -14.842 8.445 274 HB VAL 42 HB VAL 42 -13.509 -16.124 11.125 275 1HG1 VAL 42 1HG1 VAL 42 -13.490 -17.617 9.124 276 2HG1 VAL 42 2HG1 VAL 42 -12.307 -16.547 8.372 277 3HG1 VAL 42 3HG1 VAL 42 -11.890 -17.428 9.842 278 1HG2 VAL 42 1HG2 VAL 42 -12.505 -13.730 10.283 279 2HG2 VAL 42 2HG2 VAL 42 -11.614 -14.868 11.293 280 3HG2 VAL 42 3HG2 VAL 42 -11.355 -14.848 9.548 281 H ALA 43 H ALA 43 -15.885 -15.833 7.510 282 HA ALA 43 HA ALA 43 -18.079 -16.937 9.068 283 1HB ALA 43 1HB ALA 43 -17.849 -17.769 6.270 284 2HB ALA 43 2HB ALA 43 -17.597 -16.036 6.476 285 3HB ALA 43 3HB ALA 43 -19.091 -16.783 7.042 286 H GLU 44 H GLU 44 -18.709 -19.228 9.031 287 HA GLU 44 HA GLU 44 -16.618 -21.053 9.664 288 1HB GLU 44 1HB GLU 44 -19.380 -20.926 9.783 289 2HB GLU 44 2HB GLU 44 -19.108 -22.211 8.607 290 1HG GLU 44 1HG GLU 44 -18.343 -23.634 10.192 291 2HG GLU 44 2HG GLU 44 -17.316 -22.397 10.917 292 H GLY 45 H GLY 45 -15.105 -21.765 8.220 293 1HA GLY 45 1HA GLY 45 -16.051 -22.542 5.492 294 2HA GLY 45 2HA GLY 45 -14.715 -23.330 6.332 295 H GLU 46 H GLU 46 -14.180 -20.304 7.208 296 HA GLU 46 HA GLU 46 -12.640 -19.620 4.719 297 1HB GLU 46 1HB GLU 46 -14.583 -18.195 6.322 298 2HB GLU 46 2HB GLU 46 -13.053 -17.318 6.301 299 1HG GLU 46 1HG GLU 46 -13.258 -16.792 4.102 300 2HG GLU 46 2HG GLU 46 -13.830 -18.406 3.680 301 H TYR 47 H TYR 47 -10.452 -19.684 5.051 302 HA TYR 47 HA TYR 47 -9.187 -20.242 7.527 303 1HB TYR 47 1HB TYR 47 -8.203 -18.871 5.005 304 2HB TYR 47 2HB TYR 47 -7.144 -19.502 6.266 305 HD1 TYR 47 HD1 TYR 47 -8.319 -22.011 7.050 306 HD2 TYR 47 HD2 TYR 47 -8.074 -20.260 3.137 307 HE1 TYR 47 HE1 TYR 47 -8.461 -24.267 6.032 308 HE2 TYR 47 HE2 TYR 47 -8.216 -22.514 2.117 309 HH TYR 47 HH TYR 47 -7.603 -24.962 2.980 310 H ILE 48 H ILE 48 -8.939 -18.927 9.289 311 HA ILE 48 HA ILE 48 -9.802 -16.290 9.572 312 HB ILE 48 HB ILE 48 -7.547 -17.833 10.883 313 1HG1 ILE 48 1HG1 ILE 48 -10.269 -17.166 12.003 314 2HG1 ILE 48 2HG1 ILE 48 -10.026 -18.577 10.974 315 1HG2 ILE 48 1HG2 ILE 48 -8.015 -15.065 11.057 316 2HG2 ILE 48 2HG2 ILE 48 -8.739 -15.749 12.513 317 3HG2 ILE 48 3HG2 ILE 48 -7.038 -16.041 12.154 318 1HD1 ILE 48 1HD1 ILE 48 -7.975 -18.367 13.039 319 2HD1 ILE 48 2HD1 ILE 48 -9.596 -18.461 13.727 320 3HD1 ILE 48 3HD1 ILE 48 -9.024 -19.728 12.640 321 H LEU 49 H LEU 49 -6.326 -17.153 9.260 322 HA LEU 49 HA LEU 49 -5.216 -14.650 8.907 323 1HB LEU 49 1HB LEU 49 -3.856 -16.614 8.958 324 2HB LEU 49 2HB LEU 49 -4.663 -17.293 7.544 325 HG LEU 49 HG LEU 49 -3.275 -14.639 7.313 326 1HD1 LEU 49 1HD1 LEU 49 -1.969 -17.029 8.136 327 2HD1 LEU 49 2HD1 LEU 49 -1.554 -16.766 6.442 328 3HD1 LEU 49 3HD1 LEU 49 -1.226 -15.509 7.635 329 1HD2 LEU 49 1HD2 LEU 49 -4.371 -16.750 5.567 330 2HD2 LEU 49 2HD2 LEU 49 -4.173 -15.026 5.258 331 3HD2 LEU 49 3HD2 LEU 49 -2.807 -16.121 5.053 332 H GLU 50 H GLU 50 -6.928 -16.542 6.410 333 HA GLU 50 HA GLU 50 -6.378 -14.695 4.252 334 1HB GLU 50 1HB GLU 50 -7.478 -17.226 4.629 335 2HB GLU 50 2HB GLU 50 -8.837 -16.262 4.057 336 1HG GLU 50 1HG GLU 50 -6.317 -15.770 2.610 337 2HG GLU 50 2HG GLU 50 -6.943 -17.408 2.428 338 H ALA 51 H ALA 51 -9.297 -15.244 6.268 339 HA ALA 51 HA ALA 51 -11.014 -13.321 5.224 340 1HB ALA 51 1HB ALA 51 -10.431 -14.349 7.989 341 2HB ALA 51 2HB ALA 51 -11.822 -14.682 6.958 342 3HB ALA 51 3HB ALA 51 -11.671 -13.117 7.756 343 H ALA 52 H ALA 52 -8.420 -12.804 7.596 344 HA ALA 52 HA ALA 52 -8.874 -9.920 7.734 345 1HB ALA 52 1HB ALA 52 -7.774 -10.375 9.652 346 2HB ALA 52 2HB ALA 52 -7.373 -11.992 9.070 347 3HB ALA 52 3HB ALA 52 -6.310 -10.633 8.702 348 H GLU 53 H GLU 53 -6.753 -12.106 5.963 349 HA GLU 53 HA GLU 53 -4.825 -10.249 5.010 350 1HB GLU 53 1HB GLU 53 -5.784 -12.935 4.478 351 2HB GLU 53 2HB GLU 53 -5.359 -12.120 2.973 352 1HG GLU 53 1HG GLU 53 -3.255 -11.385 4.523 353 2HG GLU 53 2HG GLU 53 -3.625 -12.957 5.231 354 H ALA 54 H ALA 54 -8.126 -10.911 3.991 355 HA ALA 54 HA ALA 54 -7.986 -9.418 1.496 356 1HB ALA 54 1HB ALA 54 -9.612 -11.292 2.442 357 2HB ALA 54 2HB ALA 54 -10.219 -10.074 1.321 358 3HB ALA 54 3HB ALA 54 -10.508 -9.901 3.052 359 H GLN 55 H GLN 55 -8.255 -8.561 4.816 360 HA GLN 55 HA GLN 55 -9.563 -5.955 4.251 361 1HB GLN 55 1HB GLN 55 -8.821 -7.613 6.641 362 2HB GLN 55 2HB GLN 55 -9.097 -5.886 6.862 363 1HG GLN 55 1HG GLN 55 -11.185 -6.895 5.195 364 2HG GLN 55 2HG GLN 55 -11.043 -7.966 6.589 365 2HE2 GLN 55 2HE2 GLN 55 -13.342 -6.654 6.745 366 1HE2 GLN 55 1HE2 GLN 55 -13.275 -5.300 7.768 367 H GLY 56 H GLY 56 -6.408 -7.321 4.669 368 1HA GLY 56 1HA GLY 56 -5.264 -4.560 4.789 369 2HA GLY 56 2HA GLY 56 -4.511 -5.889 3.908 370 H TYR 57 H TYR 57 -5.442 -7.627 6.325 371 HA TYR 57 HA TYR 57 -3.608 -6.688 8.448 372 1HB TYR 57 1HB TYR 57 -5.496 -9.036 8.111 373 2HB TYR 57 2HB TYR 57 -4.551 -8.755 9.574 374 HD1 TYR 57 HD1 TYR 57 -4.639 -5.771 9.705 375 HD2 TYR 57 HD2 TYR 57 -7.718 -8.632 8.820 376 HE1 TYR 57 HE1 TYR 57 -6.357 -4.171 10.505 377 HE2 TYR 57 HE2 TYR 57 -9.434 -7.035 9.619 378 HH TYR 57 HH TYR 57 -8.709 -3.730 10.266 379 H ASP 58 H ASP 58 -1.719 -7.840 9.062 380 HA ASP 58 HA ASP 58 -0.766 -9.873 7.070 381 1HB ASP 58 1HB ASP 58 0.423 -7.718 7.034 382 2HB ASP 58 2HB ASP 58 0.735 -7.848 8.765 383 H TRP 59 H TRP 59 -0.063 -11.836 7.902 384 HA TRP 59 HA TRP 59 0.163 -12.079 10.883 385 1HB TRP 59 1HB TRP 59 -1.107 -14.062 8.969 386 2HB TRP 59 2HB TRP 59 -1.122 -14.133 10.731 387 HD1 TRP 59 HD1 TRP 59 -2.234 -11.646 7.978 388 HE1 TRP 59 HE1 TRP 59 -4.437 -10.548 8.736 389 HE3 TRP 59 HE3 TRP 59 -2.795 -13.850 12.549 390 HZ2 TRP 59 HZ2 TRP 59 -6.208 -10.600 10.975 391 HZ3 TRP 59 HZ3 TRP 59 -4.751 -13.309 13.971 392 HH2 TRP 59 HH2 TRP 59 -6.457 -11.687 13.189 393 HA PRO 60 HA PRO 60 3.931 -14.144 9.982 394 1HB PRO 60 1HB PRO 60 4.124 -15.778 12.169 395 2HB PRO 60 2HB PRO 60 4.398 -14.027 12.243 396 1HG PRO 60 1HG PRO 60 1.989 -15.607 13.007 397 2HG PRO 60 2HG PRO 60 2.713 -14.203 13.802 398 1HD PRO 60 1HD PRO 60 0.499 -14.068 12.207 399 2HD PRO 60 2HD PRO 60 1.629 -12.716 12.433 400 H PHE 61 H PHE 61 4.390 -15.891 8.684 401 HA PHE 61 HA PHE 61 3.091 -18.496 9.111 402 1HB PHE 61 1HB PHE 61 2.078 -18.454 6.824 403 2HB PHE 61 2HB PHE 61 1.387 -17.228 7.887 404 HD1 PHE 61 HD1 PHE 61 4.207 -17.673 5.444 405 HD2 PHE 61 HD2 PHE 61 1.270 -15.027 7.125 406 HE1 PHE 61 HE1 PHE 61 4.887 -15.902 3.845 407 HE2 PHE 61 HE2 PHE 61 1.949 -13.257 5.525 408 HZ PHE 61 HZ PHE 61 3.757 -13.695 3.886 409 H SER 62 H SER 62 4.190 -20.164 7.948 410 HA SER 62 HA SER 62 6.465 -19.349 6.206 411 1HB SER 62 1HB SER 62 7.465 -19.448 8.370 412 2HB SER 62 2HB SER 62 6.549 -20.892 8.807 413 HG SER 62 HG SER 62 8.772 -20.617 7.125 414 H CYS 63 H CYS 63 5.091 -22.254 7.791 415 HA CYS 63 HA CYS 63 5.640 -23.908 5.454 416 1HB CYS 63 1HB CYS 63 5.103 -25.636 6.914 417 2HB CYS 63 2HB CYS 63 5.555 -24.376 8.055 418 H ARG 64 H ARG 64 2.705 -22.474 6.900 419 HA ARG 64 HA ARG 64 0.575 -22.072 5.964 420 1HB ARG 64 1HB ARG 64 2.556 -22.126 3.764 421 2HB ARG 64 2HB ARG 64 0.870 -22.280 3.269 422 1HG ARG 64 1HG ARG 64 0.376 -20.137 3.861 423 2HG ARG 64 2HG ARG 64 1.362 -20.213 5.321 424 1HD ARG 64 1HD ARG 64 2.521 -18.661 3.944 425 2HD ARG 64 2HD ARG 64 3.388 -20.182 3.658 426 HE ARG 64 HE ARG 64 1.111 -19.398 1.883 427 1HH1 ARG 64 1HH1 ARG 64 2.001 -21.627 0.660 428 2HH1 ARG 64 2HH1 ARG 64 3.428 -21.223 -0.234 429 1HH2 ARG 64 1HH2 ARG 64 3.995 -18.268 1.488 430 2HH2 ARG 64 2HH2 ARG 64 4.556 -19.323 0.234 431 H ALA 65 H ALA 65 1.368 -24.887 6.599 432 HA ALA 65 HA ALA 65 -0.687 -26.259 4.947 433 1HB ALA 65 1HB ALA 65 0.899 -28.226 4.909 434 2HB ALA 65 2HB ALA 65 2.126 -27.176 5.615 435 3HB ALA 65 3HB ALA 65 1.482 -26.822 4.012 436 H GLY 66 H GLY 66 0.270 -25.343 7.989 437 1HA GLY 66 1HA GLY 66 -1.485 -27.320 9.256 438 2HA GLY 66 2HA GLY 66 -0.714 -25.954 10.060 439 H ALA 67 H ALA 67 1.996 -26.559 9.266 440 HA ALA 67 HA ALA 67 2.436 -29.062 10.856 441 1HB ALA 67 1HB ALA 67 3.448 -29.940 9.048 442 2HB ALA 67 2HB ALA 67 2.969 -28.513 8.130 443 3HB ALA 67 3HB ALA 67 4.530 -28.551 8.948 444 H CYS 68 H CYS 68 2.756 -25.862 11.192 445 HA CYS 68 HA CYS 68 5.221 -26.165 12.812 446 1HB CYS 68 1HB CYS 68 6.496 -24.672 11.587 447 2HB CYS 68 2HB CYS 68 5.527 -25.362 10.290 448 H ALA 69 H ALA 69 5.612 -23.796 13.892 449 HA ALA 69 HA ALA 69 2.911 -22.877 14.833 450 1HB ALA 69 1HB ALA 69 5.323 -23.867 16.159 451 2HB ALA 69 2HB ALA 69 3.681 -23.730 16.784 452 3HB ALA 69 3HB ALA 69 4.762 -22.338 16.835 453 H ASN 70 H ASN 70 5.232 -21.820 12.864 454 HA ASN 70 HA ASN 70 6.193 -19.347 13.861 455 1HB ASN 70 1HB ASN 70 5.645 -20.626 11.228 456 2HB ASN 70 2HB ASN 70 5.876 -18.878 11.214 457 2HD2 ASN 70 2HD2 ASN 70 7.991 -19.044 10.180 458 1HD2 ASN 70 1HD2 ASN 70 9.343 -19.639 11.017 459 H CYS 71 H CYS 71 3.105 -20.170 12.302 460 HA CYS 71 HA CYS 71 2.152 -17.376 12.436 461 1HB CYS 71 1HB CYS 71 0.283 -18.272 11.199 462 2HB CYS 71 2HB CYS 71 1.727 -19.065 10.568 463 H ALA 72 H ALA 72 2.646 -19.495 14.781 464 HA ALA 72 HA ALA 72 0.337 -20.193 16.129 465 1HB ALA 72 1HB ALA 72 3.031 -19.159 16.966 466 2HB ALA 72 2HB ALA 72 1.825 -19.538 18.195 467 3HB ALA 72 3HB ALA 72 2.383 -20.795 17.090 468 H SER 73 H SER 73 -0.926 -19.161 17.788 469 HA SER 73 HA SER 73 -0.921 -16.165 17.809 470 1HB SER 73 1HB SER 73 -2.715 -17.849 16.460 471 2HB SER 73 2HB SER 73 -3.568 -17.366 17.927 472 HG SER 73 HG SER 73 -2.169 -15.399 16.546 473 H ILE 74 H ILE 74 -3.192 -15.960 19.464 474 HA ILE 74 HA ILE 74 -2.674 -17.630 21.857 475 HB ILE 74 HB ILE 74 -2.175 -14.669 21.565 476 1HG1 ILE 74 1HG1 ILE 74 -0.259 -16.139 21.267 477 2HG1 ILE 74 2HG1 ILE 74 -0.104 -15.318 22.820 478 1HG2 ILE 74 1HG2 ILE 74 -3.105 -16.203 23.960 479 2HG2 ILE 74 2HG2 ILE 74 -1.876 -14.960 24.198 480 3HG2 ILE 74 3HG2 ILE 74 -3.440 -14.533 23.502 481 1HD1 ILE 74 1HD1 ILE 74 -1.483 -17.492 23.621 482 2HD1 ILE 74 2HD1 ILE 74 -0.641 -18.189 22.237 483 3HD1 ILE 74 3HD1 ILE 74 0.279 -17.463 23.554 484 H VAL 75 H VAL 75 -4.912 -18.253 21.069 485 HA VAL 75 HA VAL 75 -7.154 -16.563 20.893 486 HB VAL 75 HB VAL 75 -7.000 -19.016 20.415 487 1HG1 VAL 75 1HG1 VAL 75 -5.792 -19.458 22.638 488 2HG1 VAL 75 2HG1 VAL 75 -7.385 -19.393 23.390 489 3HG1 VAL 75 3HG1 VAL 75 -7.033 -20.621 22.174 490 1HG2 VAL 75 1HG2 VAL 75 -9.180 -17.613 21.042 491 2HG2 VAL 75 2HG2 VAL 75 -9.263 -19.351 20.755 492 3HG2 VAL 75 3HG2 VAL 75 -9.213 -18.730 22.405 493 H LYS 76 H LYS 76 -7.890 -15.088 22.391 494 HA LYS 76 HA LYS 76 -7.248 -15.446 25.259 495 1HB LYS 76 1HB LYS 76 -8.565 -13.282 23.591 496 2HB LYS 76 2HB LYS 76 -8.320 -13.147 25.332 497 1HG LYS 76 1HG LYS 76 -5.902 -13.984 23.900 498 2HG LYS 76 2HG LYS 76 -6.488 -12.400 23.394 499 1HD LYS 76 1HD LYS 76 -6.703 -11.892 25.923 500 2HD LYS 76 2HD LYS 76 -5.675 -13.306 26.155 501 1HE LYS 76 1HE LYS 76 -3.864 -12.020 25.705 502 2HE LYS 76 2HE LYS 76 -4.507 -11.716 24.080 503 1HZ LYS 76 1HZ LYS 76 -5.652 -10.322 26.413 504 2HZ LYS 76 2HZ LYS 76 -4.219 -9.738 25.715 505 3HZ LYS 76 3HZ LYS 76 -5.635 -9.842 24.784 506 H GLU 77 H GLU 77 -9.844 -16.133 23.112 507 HA GLU 77 HA GLU 77 -11.486 -17.305 25.152 508 1HB GLU 77 1HB GLU 77 -11.579 -14.454 24.881 509 2HB GLU 77 2HB GLU 77 -13.128 -15.109 24.350 510 1HG GLU 77 1HG GLU 77 -13.271 -16.419 26.457 511 2HG GLU 77 2HG GLU 77 -11.755 -15.695 26.991 512 H GLY 78 H GLY 78 -13.692 -17.893 24.244 513 1HA GLY 78 1HA GLY 78 -14.024 -17.600 21.336 514 2HA GLY 78 2HA GLY 78 -15.156 -18.388 22.432 515 H GLU 79 H GLU 79 -14.022 -19.376 19.867 516 HA GLU 79 HA GLU 79 -12.197 -21.562 20.639 517 1HB GLU 79 1HB GLU 79 -14.471 -22.251 21.401 518 2HB GLU 79 2HB GLU 79 -15.056 -22.070 19.748 519 1HG GLU 79 1HG GLU 79 -14.524 -24.417 20.158 520 2HG GLU 79 2HG GLU 79 -13.364 -23.751 19.010 521 H ILE 80 H ILE 80 -11.284 -22.574 18.771 522 HA ILE 80 HA ILE 80 -12.088 -21.367 16.141 523 HB ILE 80 HB ILE 80 -9.384 -21.970 17.370 524 1HG1 ILE 80 1HG1 ILE 80 -9.972 -19.377 16.085 525 2HG1 ILE 80 2HG1 ILE 80 -10.945 -19.726 17.514 526 1HG2 ILE 80 1HG2 ILE 80 -9.772 -22.555 14.820 527 2HG2 ILE 80 2HG2 ILE 80 -9.697 -20.804 14.624 528 3HG2 ILE 80 3HG2 ILE 80 -8.330 -21.673 15.317 529 1HD1 ILE 80 1HD1 ILE 80 -8.397 -20.526 18.272 530 2HD1 ILE 80 2HD1 ILE 80 -8.097 -19.073 17.318 531 3HD1 ILE 80 3HD1 ILE 80 -9.169 -19.004 18.715 532 H ASP 81 H ASP 81 -12.159 -22.805 14.389 533 HA ASP 81 HA ASP 81 -12.265 -25.673 15.033 534 1HB ASP 81 1HB ASP 81 -13.734 -24.113 13.466 535 2HB ASP 81 2HB ASP 81 -12.493 -24.507 12.276 536 H MET 82 H MET 82 -10.593 -27.084 14.651 537 HA MET 82 HA MET 82 -8.335 -26.143 12.909 538 1HB MET 82 1HB MET 82 -8.343 -26.615 15.620 539 2HB MET 82 2HB MET 82 -7.802 -28.170 14.989 540 1HG MET 82 1HG MET 82 -6.190 -26.750 13.515 541 2HG MET 82 2HG MET 82 -6.526 -25.459 14.670 542 1HE MET 82 1HE MET 82 -5.373 -28.888 13.929 543 2HE MET 82 2HE MET 82 -4.450 -29.466 15.323 544 3HE MET 82 3HE MET 82 -6.211 -29.462 15.368 545 H ASP 83 H ASP 83 -6.923 -28.412 12.584 546 HA ASP 83 HA ASP 83 -8.884 -30.375 11.437 547 1HB ASP 83 1HB ASP 83 -6.410 -29.042 10.423 548 2HB ASP 83 2HB ASP 83 -6.709 -30.699 9.903 549 H MET 84 H MET 84 -7.557 -32.546 10.980 550 HA MET 84 HA MET 84 -6.598 -33.479 13.584 551 1HB MET 84 1HB MET 84 -6.961 -34.698 10.833 552 2HB MET 84 2HB MET 84 -6.395 -35.627 12.221 553 1HG MET 84 1HG MET 84 -9.001 -34.077 12.118 554 2HG MET 84 2HG MET 84 -8.856 -35.821 11.904 555 1HE MET 84 1HE MET 84 -9.901 -36.868 13.294 556 2HE MET 84 2HE MET 84 -9.658 -37.065 15.028 557 3HE MET 84 3HE MET 84 -10.748 -35.815 14.434 558 H GLN 85 H GLN 85 -4.474 -33.433 14.200 559 HA GLN 85 HA GLN 85 -2.294 -34.048 12.382 560 1HB GLN 85 1HB GLN 85 -3.277 -31.514 12.145 561 2HB GLN 85 2HB GLN 85 -2.050 -31.268 13.388 562 1HG GLN 85 1HG GLN 85 -0.415 -31.391 11.845 563 2HG GLN 85 2HG GLN 85 -0.989 -32.976 11.327 564 2HE2 GLN 85 2HE2 GLN 85 -3.273 -32.658 10.016 565 1HE2 GLN 85 1HE2 GLN 85 -3.190 -31.481 8.795 566 H GLN 86 H GLN 86 -0.174 -32.903 13.699 567 HA GLN 86 HA GLN 86 -0.565 -33.536 16.597 568 1HB GLN 86 1HB GLN 86 0.545 -35.242 14.716 569 2HB GLN 86 2HB GLN 86 1.961 -34.460 15.419 570 1HG GLN 86 1HG GLN 86 1.771 -35.868 17.170 571 2HG GLN 86 2HG GLN 86 0.276 -35.035 17.597 572 2HE2 GLN 86 2HE2 GLN 86 0.897 -37.968 17.837 573 1HE2 GLN 86 1HE2 GLN 86 -0.290 -38.759 16.916 574 H ILE 87 H ILE 87 0.179 -31.159 14.580 575 HA ILE 87 HA ILE 87 2.805 -30.291 15.457 576 HB ILE 87 HB ILE 87 1.766 -29.636 13.328 577 1HG1 ILE 87 1HG1 ILE 87 2.158 -27.199 13.476 578 2HG1 ILE 87 2HG1 ILE 87 2.100 -27.302 15.236 579 1HG2 ILE 87 1HG2 ILE 87 -0.410 -28.828 15.164 580 2HG2 ILE 87 2HG2 ILE 87 -0.078 -27.697 13.853 581 3HG2 ILE 87 3HG2 ILE 87 -0.493 -29.371 13.489 582 1HD1 ILE 87 1HD1 ILE 87 3.995 -29.081 13.734 583 2HD1 ILE 87 2HD1 ILE 87 4.424 -27.388 13.983 584 3HD1 ILE 87 3HD1 ILE 87 4.131 -28.435 15.371 585 H LEU 88 H LEU 88 -0.452 -29.933 16.703 586 HA LEU 88 HA LEU 88 0.652 -28.474 19.055 587 1HB LEU 88 1HB LEU 88 -1.398 -27.550 17.063 588 2HB LEU 88 2HB LEU 88 -1.544 -27.029 18.742 589 HG LEU 88 HG LEU 88 1.197 -26.797 17.782 590 1HD1 LEU 88 1HD1 LEU 88 -0.514 -26.353 15.735 591 2HD1 LEU 88 2HD1 LEU 88 -0.552 -24.763 16.501 592 3HD1 LEU 88 3HD1 LEU 88 0.980 -25.440 15.946 593 1HD2 LEU 88 1HD2 LEU 88 -0.890 -24.986 19.001 594 2HD2 LEU 88 2HD2 LEU 88 0.556 -25.650 19.761 595 3HD2 LEU 88 3HD2 LEU 88 0.703 -24.386 18.539 596 H SER 89 H SER 89 -0.420 -29.041 20.966 597 HA SER 89 HA SER 89 -2.595 -31.080 20.698 598 1HB SER 89 1HB SER 89 -1.229 -30.605 23.285 599 2HB SER 89 2HB SER 89 -1.578 -32.125 22.463 600 HG SER 89 HG SER 89 0.628 -30.466 22.287 601 H ASP 90 H ASP 90 -4.073 -31.008 22.784 602 HA ASP 90 HA ASP 90 -5.512 -28.526 22.776 603 1HB ASP 90 1HB ASP 90 -6.404 -30.819 23.240 604 2HB ASP 90 2HB ASP 90 -5.548 -30.801 24.782 605 H GLU 91 H GLU 91 -3.153 -29.920 25.037 606 HA GLU 91 HA GLU 91 -3.406 -28.059 27.162 607 1HB GLU 91 1HB GLU 91 -1.172 -29.728 26.012 608 2HB GLU 91 2HB GLU 91 -0.882 -28.686 27.405 609 1HG GLU 91 1HG GLU 91 -2.712 -29.804 28.626 610 2HG GLU 91 2HG GLU 91 -3.008 -30.843 27.231 611 H GLU 92 H GLU 92 -1.992 -27.706 23.985 612 HA GLU 92 HA GLU 92 -0.418 -25.327 24.645 613 1HB GLU 92 1HB GLU 92 -1.003 -27.093 22.362 614 2HB GLU 92 2HB GLU 92 -0.753 -25.407 21.909 615 1HG GLU 92 1HG GLU 92 1.466 -25.726 22.113 616 2HG GLU 92 2HG GLU 92 1.231 -26.019 23.837 617 H VAL 93 H VAL 93 -3.600 -26.009 23.227 618 HA VAL 93 HA VAL 93 -4.127 -23.208 22.569 619 HB VAL 93 HB VAL 93 -4.993 -25.355 21.450 620 1HG1 VAL 93 1HG1 VAL 93 -5.955 -25.795 24.066 621 2HG1 VAL 93 2HG1 VAL 93 -7.377 -25.447 23.084 622 3HG1 VAL 93 3HG1 VAL 93 -6.294 -26.763 22.632 623 1HG2 VAL 93 1HG2 VAL 93 -6.416 -22.855 22.083 624 2HG2 VAL 93 2HG2 VAL 93 -6.147 -23.632 20.522 625 3HG2 VAL 93 3HG2 VAL 93 -7.470 -24.169 21.559 626 H GLU 94 H GLU 94 -4.377 -25.145 25.419 627 HA GLU 94 HA GLU 94 -6.438 -23.352 26.612 628 1HB GLU 94 1HB GLU 94 -5.447 -26.100 26.953 629 2HB GLU 94 2HB GLU 94 -5.731 -25.261 28.478 630 1HG GLU 94 1HG GLU 94 -8.001 -25.056 28.101 631 2HG GLU 94 2HG GLU 94 -7.811 -25.010 26.348 632 H GLU 95 H GLU 95 -3.173 -24.623 27.386 633 HA GLU 95 HA GLU 95 -2.824 -22.622 29.517 634 1HB GLU 95 1HB GLU 95 -1.971 -24.896 29.766 635 2HB GLU 95 2HB GLU 95 -1.035 -24.739 28.280 636 1HG GLU 95 1HG GLU 95 0.543 -23.355 29.257 637 2HG GLU 95 2HG GLU 95 -0.600 -22.711 30.436 638 H LYS 96 H LYS 96 -1.828 -23.117 26.174 639 HA LYS 96 HA LYS 96 -0.138 -20.650 26.303 640 1HB LYS 96 1HB LYS 96 -0.053 -23.236 24.950 641 2HB LYS 96 2HB LYS 96 0.157 -21.900 23.819 642 1HG LYS 96 1HG LYS 96 2.351 -22.254 24.537 643 2HG LYS 96 2HG LYS 96 1.818 -20.990 25.644 644 1HD LYS 96 1HD LYS 96 1.241 -22.713 27.325 645 2HD LYS 96 2HD LYS 96 1.795 -23.970 26.218 646 1HE LYS 96 1HE LYS 96 3.782 -21.838 26.611 647 2HE LYS 96 2HE LYS 96 3.393 -22.722 28.099 648 1HZ LYS 96 1HZ LYS 96 3.643 -24.802 26.833 649 2HZ LYS 96 2HZ LYS 96 4.126 -23.912 25.470 650 3HZ LYS 96 3HZ LYS 96 5.087 -23.910 26.871 651 H ASP 97 H ASP 97 -3.144 -21.887 25.160 652 HA ASP 97 HA ASP 97 -4.839 -20.908 23.827 653 1HB ASP 97 1HB ASP 97 -3.414 -18.277 23.987 654 2HB ASP 97 2HB ASP 97 -5.114 -18.648 24.256 655 H VAL 98 H VAL 98 -2.081 -21.716 22.659 656 HA VAL 98 HA VAL 98 -1.793 -19.897 20.373 657 HB VAL 98 HB VAL 98 -0.516 -22.536 21.157 658 1HG1 VAL 98 1HG1 VAL 98 -0.402 -22.159 18.718 659 2HG1 VAL 98 2HG1 VAL 98 0.272 -20.553 19.000 660 3HG1 VAL 98 3HG1 VAL 98 1.188 -21.988 19.461 661 1HG2 VAL 98 1HG2 VAL 98 -0.220 -20.301 22.515 662 2HG2 VAL 98 2HG2 VAL 98 1.197 -21.277 22.124 663 3HG2 VAL 98 3HG2 VAL 98 0.820 -19.845 21.165 664 H ARG 99 H ARG 99 -1.929 -20.693 18.147 665 HA ARG 99 HA ARG 99 -3.316 -23.175 17.524 666 1HB ARG 99 1HB ARG 99 -4.785 -20.806 18.254 667 2HB ARG 99 2HB ARG 99 -5.099 -21.180 16.559 668 1HG ARG 99 1HG ARG 99 -5.141 -23.410 18.563 669 2HG ARG 99 2HG ARG 99 -6.531 -22.328 18.468 670 1HD ARG 99 1HD ARG 99 -6.595 -22.774 15.971 671 2HD ARG 99 2HD ARG 99 -5.372 -24.032 16.238 672 HE ARG 99 HE ARG 99 -8.164 -24.281 16.890 673 1HH1 ARG 99 1HH1 ARG 99 -5.001 -25.400 17.494 674 2HH1 ARG 99 2HH1 ARG 99 -5.470 -26.519 18.731 675 1HH2 ARG 99 1HH2 ARG 99 -8.789 -25.510 18.751 676 2HH2 ARG 99 2HH2 ARG 99 -7.615 -26.580 19.443 677 H LEU 100 H LEU 100 -3.903 -23.135 15.085 678 HA LEU 100 HA LEU 100 -1.750 -21.651 13.651 679 1HB LEU 100 1HB LEU 100 -3.479 -24.038 12.930 680 2HB LEU 100 2HB LEU 100 -2.175 -23.400 11.928 681 HG LEU 100 HG LEU 100 -1.898 -24.503 14.742 682 1HD1 LEU 100 1HD1 LEU 100 -1.632 -25.635 12.045 683 2HD1 LEU 100 2HD1 LEU 100 -0.208 -25.888 13.053 684 3HD1 LEU 100 3HD1 LEU 100 -1.785 -26.456 13.598 685 1HD2 LEU 100 1HD2 LEU 100 -0.127 -22.878 12.993 686 2HD2 LEU 100 2HD2 LEU 100 -0.171 -22.993 14.754 687 3HD2 LEU 100 3HD2 LEU 100 0.630 -24.248 13.807 688 H THR 101 H THR 101 -2.545 -19.690 12.951 689 HA THR 101 HA THR 101 -5.333 -19.282 12.207 690 HB THR 101 HB THR 101 -4.524 -17.014 11.749 691 HG1 THR 101 HG1 THR 101 -2.597 -16.857 10.971 692 1HG2 THR 101 1HG2 THR 101 -4.304 -18.366 14.181 693 2HG2 THR 101 2HG2 THR 101 -2.777 -17.498 14.030 694 3HG2 THR 101 3HG2 THR 101 -4.303 -16.616 13.958 695 H CYS 102 H CYS 102 -2.437 -20.254 10.530 696 HA CYS 102 HA CYS 102 -3.269 -19.422 7.871 697 1HB CYS 102 1HB CYS 102 -1.329 -20.729 7.196 698 2HB CYS 102 2HB CYS 102 -0.922 -19.861 8.675 699 H ILE 103 H ILE 103 -3.647 -22.340 9.834 700 HA ILE 103 HA ILE 103 -5.405 -23.469 7.679 701 HB ILE 103 HB ILE 103 -4.537 -25.679 8.392 702 1HG1 ILE 103 1HG1 ILE 103 -2.249 -24.899 9.881 703 2HG1 ILE 103 2HG1 ILE 103 -3.640 -24.121 10.637 704 1HG2 ILE 103 1HG2 ILE 103 -2.658 -23.505 7.520 705 2HG2 ILE 103 2HG2 ILE 103 -2.026 -25.125 7.815 706 3HG2 ILE 103 3HG2 ILE 103 -3.279 -24.875 6.598 707 1HD1 ILE 103 1HD1 ILE 103 -4.804 -26.381 10.550 708 2HD1 ILE 103 2HD1 ILE 103 -3.250 -27.074 10.084 709 3HD1 ILE 103 3HD1 ILE 103 -3.431 -26.289 11.653 710 H GLY 104 H GLY 104 -6.067 -21.819 10.104 711 1HA GLY 104 1HA GLY 104 -7.035 -22.491 12.358 712 2HA GLY 104 2HA GLY 104 -7.778 -23.840 11.497 713 H SER 105 H SER 105 -9.921 -23.155 11.984 714 HA SER 105 HA SER 105 -10.766 -20.607 10.639 715 1HB SER 105 1HB SER 105 -11.396 -23.336 10.106 716 2HB SER 105 2HB SER 105 -12.853 -22.579 10.749 717 HG SER 105 HG SER 105 -12.083 -20.800 9.175 718 HA PRO 106 HA PRO 106 -12.952 -19.602 14.315 719 1HB PRO 106 1HB PRO 106 -15.366 -18.693 13.407 720 2HB PRO 106 2HB PRO 106 -13.857 -17.786 13.208 721 1HG PRO 106 1HG PRO 106 -15.346 -19.453 11.246 722 2HG PRO 106 2HG PRO 106 -14.459 -17.943 10.997 723 1HD PRO 106 1HD PRO 106 -13.494 -20.435 10.351 724 2HD PRO 106 2HD PRO 106 -12.470 -19.026 10.698 725 H ALA 107 H ALA 107 -14.370 -20.543 15.846 726 HA ALA 107 HA ALA 107 -16.107 -22.778 14.840 727 1HB ALA 107 1HB ALA 107 -14.695 -22.785 17.499 728 2HB ALA 107 2HB ALA 107 -15.242 -24.156 16.535 729 3HB ALA 107 3HB ALA 107 -13.822 -23.237 16.036 730 H ALA 108 H ALA 108 -15.959 -19.865 16.588 731 HA ALA 108 HA ALA 108 -18.609 -20.467 17.861 732 1HB ALA 108 1HB ALA 108 -16.045 -19.761 19.018 733 2HB ALA 108 2HB ALA 108 -17.253 -18.540 19.413 734 3HB ALA 108 3HB ALA 108 -17.535 -20.229 19.836 735 H ASP 109 H ASP 109 -19.905 -18.471 18.233 736 HA ASP 109 HA ASP 109 -20.008 -16.748 15.950 737 1HB ASP 109 1HB ASP 109 -21.762 -15.654 17.223 738 2HB ASP 109 2HB ASP 109 -21.848 -17.383 17.563 739 H GLU 110 H GLU 110 -18.722 -16.241 19.242 740 HA GLU 110 HA GLU 110 -17.236 -13.852 18.199 741 1HB GLU 110 1HB GLU 110 -19.055 -14.247 20.528 742 2HB GLU 110 2HB GLU 110 -17.638 -13.233 20.796 743 1HG GLU 110 1HG GLU 110 -18.292 -11.676 19.152 744 2HG GLU 110 2HG GLU 110 -19.394 -12.818 18.381 745 H VAL 111 H VAL 111 -15.051 -14.158 18.456 746 HA VAL 111 HA VAL 111 -14.121 -15.827 20.764 747 HB VAL 111 HB VAL 111 -13.107 -15.939 17.906 748 1HG1 VAL 111 1HG1 VAL 111 -11.596 -16.555 19.916 749 2HG1 VAL 111 2HG1 VAL 111 -12.661 -17.947 20.115 750 3HG1 VAL 111 3HG1 VAL 111 -11.752 -17.739 18.619 751 1HG2 VAL 111 1HG2 VAL 111 -15.174 -17.537 19.397 752 2HG2 VAL 111 2HG2 VAL 111 -15.232 -16.914 17.749 753 3HG2 VAL 111 3HG2 VAL 111 -14.213 -18.303 18.132 754 H LYS 112 H LYS 112 -11.985 -15.294 21.498 755 HA LYS 112 HA LYS 112 -10.949 -12.655 20.510 756 1HB LYS 112 1HB LYS 112 -10.701 -13.863 23.282 757 2HB LYS 112 2HB LYS 112 -10.379 -12.195 22.810 758 1HG LYS 112 1HG LYS 112 -13.025 -12.759 21.974 759 2HG LYS 112 2HG LYS 112 -12.878 -13.391 23.614 760 1HD LYS 112 1HD LYS 112 -11.788 -11.139 24.207 761 2HD LYS 112 2HD LYS 112 -12.393 -10.568 22.652 762 1HE LYS 112 1HE LYS 112 -14.602 -11.849 23.792 763 2HE LYS 112 2HE LYS 112 -13.853 -10.982 25.147 764 1HZ LYS 112 1HZ LYS 112 -13.665 -9.030 23.641 765 2HZ LYS 112 2HZ LYS 112 -14.582 -9.871 22.485 766 3HZ LYS 112 3HZ LYS 112 -15.272 -9.461 23.982 767 H ILE 113 H ILE 113 -8.774 -12.640 19.929 768 HA ILE 113 HA ILE 113 -6.927 -14.714 20.900 769 HB ILE 113 HB ILE 113 -8.068 -15.943 19.179 770 1HG1 ILE 113 1HG1 ILE 113 -5.729 -14.943 17.605 771 2HG1 ILE 113 2HG1 ILE 113 -5.418 -15.667 19.183 772 1HG2 ILE 113 1HG2 ILE 113 -7.767 -13.374 17.627 773 2HG2 ILE 113 2HG2 ILE 113 -8.048 -14.908 16.802 774 3HG2 ILE 113 3HG2 ILE 113 -9.234 -14.295 17.954 775 1HD1 ILE 113 1HD1 ILE 113 -7.146 -17.017 17.101 776 2HD1 ILE 113 2HD1 ILE 113 -5.403 -17.271 17.184 777 3HD1 ILE 113 3HD1 ILE 113 -6.428 -17.733 18.544 778 H VAL 114 H VAL 114 -4.741 -14.184 20.457 779 HA VAL 114 HA VAL 114 -4.321 -11.387 19.512 780 HB VAL 114 HB VAL 114 -3.282 -13.164 21.594 781 1HG1 VAL 114 1HG1 VAL 114 -1.298 -11.669 19.857 782 2HG1 VAL 114 2HG1 VAL 114 -0.942 -12.205 21.499 783 3HG1 VAL 114 3HG1 VAL 114 -1.297 -13.390 20.243 784 1HG2 VAL 114 1HG2 VAL 114 -4.337 -10.782 21.667 785 2HG2 VAL 114 2HG2 VAL 114 -3.000 -11.146 22.757 786 3HG2 VAL 114 3HG2 VAL 114 -2.708 -10.226 21.281 787 H TYR 115 H TYR 115 -3.199 -11.044 17.601 788 HA TYR 115 HA TYR 115 -2.244 -13.439 16.128 789 1HB TYR 115 1HB TYR 115 -2.763 -12.210 14.249 790 2HB TYR 115 2HB TYR 115 -3.783 -11.349 15.397 791 HD1 TYR 115 HD1 TYR 115 -2.365 -9.460 16.794 792 HD2 TYR 115 HD2 TYR 115 -1.477 -10.892 12.840 793 HE1 TYR 115 HE1 TYR 115 -1.112 -7.382 16.325 794 HE2 TYR 115 HE2 TYR 115 -0.221 -8.804 12.372 795 HH TYR 115 HH TYR 115 -0.518 -6.119 13.808 796 H ASN 116 H ASN 116 -0.125 -13.323 15.014 797 HA ASN 116 HA ASN 116 2.178 -12.775 14.868 798 1HB ASN 116 1HB ASN 116 0.878 -10.421 15.590 799 2HB ASN 116 2HB ASN 116 2.124 -10.599 16.823 800 2HD2 ASN 116 2HD2 ASN 116 4.153 -11.879 15.276 801 1HD2 ASN 116 1HD2 ASN 116 4.684 -10.800 14.079 802 H ALA 117 H ALA 117 1.581 -14.857 16.496 803 HA ALA 117 HA ALA 117 2.489 -14.441 19.248 804 1HB ALA 117 1HB ALA 117 2.094 -16.809 19.425 805 2HB ALA 117 2HB ALA 117 0.839 -16.172 18.365 806 3HB ALA 117 3HB ALA 117 2.224 -17.020 17.680 807 H LYS 118 H LYS 118 3.963 -15.342 16.191 808 HA LYS 118 HA LYS 118 6.281 -16.692 16.884 809 1HB LYS 118 1HB LYS 118 7.303 -15.292 15.001 810 2HB LYS 118 2HB LYS 118 5.786 -16.102 14.609 811 1HG LYS 118 1HG LYS 118 4.562 -14.127 14.648 812 2HG LYS 118 2HG LYS 118 5.681 -13.335 15.757 813 1HD LYS 118 1HD LYS 118 6.177 -13.943 12.827 814 2HD LYS 118 2HD LYS 118 5.929 -12.350 13.540 815 1HE LYS 118 1HE LYS 118 7.978 -13.053 15.067 816 2HE LYS 118 2HE LYS 118 8.324 -14.151 13.718 817 H HIS 119 H HIS 119 5.427 -13.385 17.670 818 HA HIS 119 HA HIS 119 7.967 -12.288 18.290 819 1HB HIS 119 1HB HIS 119 5.152 -11.938 19.323 820 2HB HIS 119 2HB HIS 119 6.478 -10.977 19.978 821 HD1 HIS 119 HD1 HIS 119 8.014 -9.819 17.925 822 HD2 HIS 119 HD2 HIS 119 4.031 -10.743 17.106 823 HE1 HIS 119 HE1 HIS 119 7.360 -8.442 15.903 824 H LEU 120 H LEU 120 5.901 -14.515 20.086 825 HA LEU 120 HA LEU 120 6.791 -14.449 22.684 826 1HB LEU 120 1HB LEU 120 5.779 -16.401 20.798 827 2HB LEU 120 2HB LEU 120 6.900 -17.165 21.926 828 HG LEU 120 HG LEU 120 4.939 -15.259 23.096 829 1HD1 LEU 120 1HD1 LEU 120 3.807 -16.822 21.295 830 2HD1 LEU 120 2HD1 LEU 120 4.016 -18.059 22.535 831 3HD1 LEU 120 3HD1 LEU 120 3.058 -16.618 22.879 832 1HD2 LEU 120 1HD2 LEU 120 5.954 -18.014 23.865 833 2HD2 LEU 120 2HD2 LEU 120 6.586 -16.480 24.466 834 3HD2 LEU 120 3HD2 LEU 120 4.943 -16.978 24.874 835 H ASP 121 H ASP 121 8.866 -14.172 23.425 836 HA ASP 121 HA ASP 121 11.280 -14.563 22.084 837 1HB ASP 121 1HB ASP 121 10.392 -14.679 24.956 838 2HB ASP 121 2HB ASP 121 12.078 -15.009 24.558 839 H TYR 122 H TYR 122 9.196 -16.971 23.551 840 HA TYR 122 HA TYR 122 11.033 -19.138 23.808 841 1HB TYR 122 1HB TYR 122 8.411 -18.640 24.344 842 2HB TYR 122 2HB TYR 122 8.250 -19.685 22.933 843 HD1 TYR 122 HD1 TYR 122 10.056 -19.455 26.210 844 HD2 TYR 122 HD2 TYR 122 8.388 -22.006 23.184 845 HE1 TYR 122 HE1 TYR 122 10.538 -21.440 27.617 846 HE2 TYR 122 HE2 TYR 122 8.871 -23.991 24.591 847 HH TYR 122 HH TYR 122 10.828 -23.789 27.442 848 H LEU 123 H LEU 123 9.566 -17.677 21.004 849 HA LEU 123 HA LEU 123 10.441 -19.978 19.298 850 1HB LEU 123 1HB LEU 123 8.134 -18.264 19.440 851 2HB LEU 123 2HB LEU 123 8.904 -18.060 17.866 852 HG LEU 123 HG LEU 123 8.918 -20.849 18.521 853 1HD1 LEU 123 1HD1 LEU 123 6.698 -19.512 19.669 854 2HD1 LEU 123 2HD1 LEU 123 6.100 -20.329 18.226 855 3HD1 LEU 123 3HD1 LEU 123 6.923 -21.252 19.483 856 1HD2 LEU 123 1HD2 LEU 123 7.844 -19.021 16.425 857 2HD2 LEU 123 2HD2 LEU 123 8.896 -20.427 16.258 858 3HD2 LEU 123 3HD2 LEU 123 7.162 -20.646 16.498 859 H GLN 124 H GLN 124 10.682 -16.456 19.711 860 HA GLN 124 HA GLN 124 12.149 -15.851 17.340 861 1HB GLN 124 1HB GLN 124 11.082 -14.495 19.450 862 2HB GLN 124 2HB GLN 124 12.800 -14.393 19.840 863 1HG GLN 124 1HG GLN 124 13.277 -13.457 17.632 864 2HG GLN 124 2HG GLN 124 11.587 -13.639 17.163 865 2HE2 GLN 124 2HE2 GLN 124 10.584 -11.626 17.229 866 1HE2 GLN 124 1HE2 GLN 124 10.836 -10.448 18.425 867 H ASN 125 H ASN 125 13.126 -17.326 20.363 868 HA ASN 125 HA ASN 125 15.853 -16.866 20.547 869 1HB ASN 125 1HB ASN 125 14.675 -18.267 22.105 870 2HB ASN 125 2HB ASN 125 14.217 -19.400 20.832 871 2HD2 ASN 125 2HD2 ASN 125 15.403 -21.287 21.182 872 1HD2 ASN 125 1HD2 ASN 125 17.065 -21.341 21.527 873 H ARG 126 H ARG 126 14.185 -18.920 18.180 874 HA ARG 126 HA ARG 126 16.428 -20.259 17.066 875 1HB ARG 126 1HB ARG 126 13.703 -19.391 16.165 876 2HB ARG 126 2HB ARG 126 14.814 -20.051 14.964 877 1HG ARG 126 1HG ARG 126 14.530 -21.530 17.542 878 2HG ARG 126 2HG ARG 126 13.196 -21.631 16.393 879 1HD ARG 126 1HD ARG 126 14.541 -23.406 15.664 880 2HD ARG 126 2HD ARG 126 15.177 -22.086 14.663 881 HE ARG 126 HE ARG 126 16.482 -22.179 17.253 882 1HH1 ARG 126 1HH1 ARG 126 16.389 -24.918 15.613 883 2HH1 ARG 126 2HH1 ARG 126 17.999 -24.891 14.976 884 1HH2 ARG 126 1HH2 ARG 126 18.553 -21.568 15.800 885 2HH2 ARG 126 2HH2 ARG 126 19.225 -22.995 15.082 886 H VAL 127 H VAL 127 14.880 -17.207 15.985 887 HA VAL 127 HA VAL 127 16.988 -16.646 14.049 888 HB VAL 127 HB VAL 127 14.855 -14.842 15.235 889 1HG1 VAL 127 1HG1 VAL 127 16.912 -14.310 13.432 890 2HG1 VAL 127 2HG1 VAL 127 15.510 -14.593 12.399 891 3HG1 VAL 127 3HG1 VAL 127 15.449 -13.347 13.646 892 1HG2 VAL 127 1HG2 VAL 127 14.705 -16.769 12.895 893 2HG2 VAL 127 2HG2 VAL 127 13.855 -16.939 14.432 894 3HG2 VAL 127 3HG2 VAL 127 13.451 -15.613 13.342 895 H ILE 128 H ILE 128 18.930 -15.704 14.528 896 HA ILE 128 HA ILE 128 19.114 -13.977 16.974 897 HB ILE 128 HB ILE 128 21.305 -15.053 17.392 898 1HG1 ILE 128 1HG1 ILE 128 21.329 -17.343 15.871 899 2HG1 ILE 128 2HG1 ILE 128 20.739 -16.148 14.717 900 1HG2 ILE 128 1HG2 ILE 128 18.722 -16.401 17.442 901 2HG2 ILE 128 2HG2 ILE 128 20.054 -17.551 17.338 902 3HG2 ILE 128 3HG2 ILE 128 19.995 -16.385 18.660 903 1HD1 ILE 128 1HD1 ILE 128 23.136 -15.576 16.457 904 2HD1 ILE 128 2HD1 ILE 128 23.307 -16.455 14.937 905 3HD1 ILE 128 3HD1 ILE 128 22.672 -14.808 14.939 No H/Q in entry = 905 Start of MODEL 14 1 H2 PRO 1 H2 PRO 1 -19.740 -13.543 13.698 2 H3 PRO 1 H3 PRO 1 -20.063 -15.211 13.621 3 HA PRO 1 HA PRO 1 -17.883 -15.544 13.429 4 1HB PRO 1 1HB PRO 1 -17.185 -14.519 10.993 5 2HB PRO 1 2HB PRO 1 -18.182 -15.973 11.175 6 1HG PRO 1 1HG PRO 1 -18.988 -13.183 10.542 7 2HG PRO 1 2HG PRO 1 -19.635 -14.710 9.929 8 1HD PRO 1 1HD PRO 1 -20.833 -13.189 11.876 9 2HD PRO 1 2HD PRO 1 -21.078 -14.936 11.683 10 H THR 2 H THR 2 -18.107 -13.441 15.122 11 HA THR 2 HA THR 2 -16.381 -11.237 14.097 12 HB THR 2 HB THR 2 -17.539 -11.267 16.844 13 HG1 THR 2 HG1 THR 2 -19.580 -11.018 16.125 14 1HG2 THR 2 1HG2 THR 2 -16.301 -9.374 15.462 15 2HG2 THR 2 2HG2 THR 2 -17.912 -9.124 14.790 16 3HG2 THR 2 3HG2 THR 2 -17.650 -8.976 16.528 17 H VAL 3 H VAL 3 -14.236 -11.290 14.584 18 HA VAL 3 HA VAL 3 -13.356 -12.625 17.114 19 HB VAL 3 HB VAL 3 -12.044 -12.925 14.393 20 1HG1 VAL 3 1HG1 VAL 3 -10.999 -13.334 16.890 21 2HG1 VAL 3 2HG1 VAL 3 -11.665 -14.928 16.531 22 3HG1 VAL 3 3HG1 VAL 3 -10.479 -14.201 15.445 23 1HG2 VAL 3 1HG2 VAL 3 -14.093 -14.624 15.824 24 2HG2 VAL 3 2HG2 VAL 3 -14.129 -14.035 14.162 25 3HG2 VAL 3 3HG2 VAL 3 -13.001 -15.310 14.622 26 H GLU 4 H GLU 4 -12.513 -10.858 18.210 27 HA GLU 4 HA GLU 4 -11.250 -8.624 16.798 28 1HB GLU 4 1HB GLU 4 -12.634 -8.828 19.063 29 2HB GLU 4 2HB GLU 4 -11.031 -9.096 19.749 30 1HG GLU 4 1HG GLU 4 -10.278 -6.968 19.163 31 2HG GLU 4 2HG GLU 4 -11.450 -6.801 17.857 32 H TYR 5 H TYR 5 -9.129 -8.627 16.182 33 HA TYR 5 HA TYR 5 -7.292 -10.646 17.361 34 1HB TYR 5 1HB TYR 5 -5.903 -10.036 15.398 35 2HB TYR 5 2HB TYR 5 -7.542 -10.470 14.915 36 HD1 TYR 5 HD1 TYR 5 -5.204 -7.650 15.470 37 HD2 TYR 5 HD2 TYR 5 -9.045 -8.844 13.963 38 HE1 TYR 5 HE1 TYR 5 -5.466 -5.437 14.384 39 HE2 TYR 5 HE2 TYR 5 -9.308 -6.630 12.877 40 HH TYR 5 HH TYR 5 -8.430 -4.619 12.572 41 H LEU 6 H LEU 6 -5.553 -10.057 18.620 42 HA LEU 6 HA LEU 6 -5.038 -7.126 19.001 43 1HB LEU 6 1HB LEU 6 -6.018 -9.114 20.796 44 2HB LEU 6 2HB LEU 6 -4.388 -8.692 21.320 45 HG LEU 6 HG LEU 6 -6.645 -6.736 20.782 46 1HD1 LEU 6 1HD1 LEU 6 -6.564 -8.251 22.928 47 2HD1 LEU 6 2HD1 LEU 6 -5.263 -7.164 23.416 48 3HD1 LEU 6 3HD1 LEU 6 -6.875 -6.523 23.098 49 1HD2 LEU 6 1HD2 LEU 6 -3.977 -6.249 20.472 50 2HD2 LEU 6 2HD2 LEU 6 -5.144 -5.028 20.980 51 3HD2 LEU 6 3HD2 LEU 6 -4.183 -5.885 22.185 52 H ASN 7 H ASN 7 -2.904 -6.572 18.743 53 HA ASN 7 HA ASN 7 -0.944 -8.379 17.757 54 1HB ASN 7 1HB ASN 7 -0.979 -5.934 17.454 55 2HB ASN 7 2HB ASN 7 -0.669 -5.711 19.174 56 2HD2 ASN 7 2HD2 ASN 7 1.352 -4.551 18.360 57 1HD2 ASN 7 1HD2 ASN 7 2.714 -5.488 17.979 58 H TYR 8 H TYR 8 0.226 -9.906 18.849 59 HA TYR 8 HA TYR 8 0.063 -10.396 21.642 60 1HB TYR 8 1HB TYR 8 0.773 -12.123 20.150 61 2HB TYR 8 2HB TYR 8 2.037 -11.108 19.461 62 HD1 TYR 8 HD1 TYR 8 1.044 -13.172 22.345 63 HD2 TYR 8 HD2 TYR 8 4.131 -10.706 20.657 64 HE1 TYR 8 HE1 TYR 8 2.650 -14.027 24.031 65 HE2 TYR 8 HE2 TYR 8 5.736 -11.561 22.343 66 HH TYR 8 HH TYR 8 4.699 -13.843 24.875 67 H GLU 9 H GLU 9 2.313 -8.434 19.746 68 HA GLU 9 HA GLU 9 4.229 -7.941 21.838 69 1HB GLU 9 1HB GLU 9 3.416 -6.691 19.226 70 2HB GLU 9 2HB GLU 9 4.591 -5.868 20.253 71 1HG GLU 9 1HG GLU 9 5.623 -8.359 20.325 72 2HG GLU 9 2HG GLU 9 4.848 -8.420 18.743 73 H THR 10 H THR 10 1.202 -6.361 20.880 74 HA THR 10 HA THR 10 1.452 -3.992 22.467 75 HB THR 10 HB THR 10 -0.906 -5.641 21.504 76 HG1 THR 10 HG1 THR 10 -0.984 -3.871 20.003 77 1HG2 THR 10 1HG2 THR 10 -0.861 -2.862 22.713 78 2HG2 THR 10 2HG2 THR 10 -2.262 -3.612 21.947 79 3HG2 THR 10 3HG2 THR 10 -1.597 -4.295 23.430 80 H LEU 11 H LEU 11 0.407 -7.284 23.228 81 HA LEU 11 HA LEU 11 -0.734 -6.747 25.810 82 1HB LEU 11 1HB LEU 11 -0.663 -8.840 24.159 83 2HB LEU 11 2HB LEU 11 0.712 -9.293 25.166 84 HG LEU 11 HG LEU 11 -2.056 -8.612 26.203 85 1HD1 LEU 11 1HD1 LEU 11 -0.620 -11.266 25.890 86 2HD1 LEU 11 2HD1 LEU 11 -2.144 -11.044 26.748 87 3HD1 LEU 11 3HD1 LEU 11 -2.059 -10.748 25.012 88 1HD2 LEU 11 1HD2 LEU 11 0.471 -9.603 27.553 89 2HD2 LEU 11 2HD2 LEU 11 -0.329 -8.054 27.817 90 3HD2 LEU 11 3HD2 LEU 11 -1.110 -9.549 28.332 91 H ASP 12 H ASP 12 2.551 -7.667 24.768 92 HA ASP 12 HA ASP 12 3.633 -7.658 27.480 93 1HB ASP 12 1HB ASP 12 4.556 -8.029 24.668 94 2HB ASP 12 2HB ASP 12 5.781 -7.580 25.855 95 H ASP 13 H ASP 13 3.938 -5.497 24.637 96 HA ASP 13 HA ASP 13 5.620 -3.526 25.742 97 1HB ASP 13 1HB ASP 13 3.549 -3.745 23.628 98 2HB ASP 13 2HB ASP 13 3.937 -2.104 24.142 99 H GLN 14 H GLN 14 2.033 -3.450 25.651 100 HA GLN 14 HA GLN 14 1.738 -1.167 27.344 101 1HB GLN 14 1HB GLN 14 0.146 -2.716 25.792 102 2HB GLN 14 2HB GLN 14 -0.309 -3.324 27.383 103 1HG GLN 14 1HG GLN 14 -1.232 -1.318 28.038 104 2HG GLN 14 2HG GLN 14 -0.121 -0.365 27.054 105 2HE2 GLN 14 2HE2 GLN 14 -3.275 -0.705 27.233 106 1HE2 GLN 14 1HE2 GLN 14 -3.720 -0.797 25.598 107 H GLY 15 H GLY 15 1.989 -4.634 28.057 108 1HA GLY 15 1HA GLY 15 2.538 -3.962 30.885 109 2HA GLY 15 2HA GLY 15 2.813 -5.529 30.126 110 H TRP 16 H TRP 16 0.124 -5.599 28.907 111 HA TRP 16 HA TRP 16 -1.694 -5.642 31.259 112 1HB TRP 16 1HB TRP 16 -1.862 -5.449 28.322 113 2HB TRP 16 2HB TRP 16 -3.107 -6.470 29.041 114 HD1 TRP 16 HD1 TRP 16 -5.185 -5.189 29.695 115 HE1 TRP 16 HE1 TRP 16 -5.721 -2.788 30.468 116 HE3 TRP 16 HE3 TRP 16 -0.480 -3.205 29.733 117 HZ2 TRP 16 HZ2 TRP 16 -4.334 -0.349 31.029 118 HZ3 TRP 16 HZ3 TRP 16 -0.117 -0.844 30.389 119 HH2 TRP 16 HH2 TRP 16 -2.036 0.585 31.036 120 H ASP 17 H ASP 17 -3.371 -7.699 30.731 121 HA ASP 17 HA ASP 17 -1.594 -10.114 30.807 122 1HB ASP 17 1HB ASP 17 -3.407 -9.025 32.664 123 2HB ASP 17 2HB ASP 17 -4.229 -10.428 31.983 124 H MET 18 H MET 18 -3.475 -12.087 30.564 125 HA MET 18 HA MET 18 -4.113 -12.026 27.729 126 1HB MET 18 1HB MET 18 -4.728 -13.917 30.017 127 2HB MET 18 2HB MET 18 -5.088 -14.279 28.329 128 1HG MET 18 1HG MET 18 -2.345 -13.334 28.703 129 2HG MET 18 2HG MET 18 -2.681 -14.798 29.628 130 1HE MET 18 1HE MET 18 -1.503 -13.243 26.963 131 2HE MET 18 2HE MET 18 -1.074 -14.530 25.840 132 3HE MET 18 3HE MET 18 -2.515 -13.546 25.554 133 H ASP 19 H ASP 19 -6.069 -11.956 30.723 134 HA ASP 19 HA ASP 19 -8.244 -10.598 29.233 135 1HB ASP 19 1HB ASP 19 -9.864 -12.339 29.968 136 2HB ASP 19 2HB ASP 19 -8.618 -13.013 28.918 137 H ASP 20 H ASP 20 -6.320 -10.279 31.666 138 HA ASP 20 HA ASP 20 -7.960 -10.216 34.037 139 1HB ASP 20 1HB ASP 20 -5.321 -10.072 33.458 140 2HB ASP 20 2HB ASP 20 -5.656 -8.360 33.715 141 H ASP 21 H ASP 21 -6.661 -7.475 32.109 142 HA ASP 21 HA ASP 21 -8.601 -5.631 33.277 143 1HB ASP 21 1HB ASP 21 -6.291 -5.002 32.728 144 2HB ASP 21 2HB ASP 21 -6.583 -5.386 31.032 145 H ASP 22 H ASP 22 -8.123 -5.070 29.961 146 HA ASP 22 HA ASP 22 -10.374 -6.532 28.892 147 1HB ASP 22 1HB ASP 22 -10.889 -4.191 30.434 148 2HB ASP 22 2HB ASP 22 -11.183 -3.768 28.748 149 H LEU 23 H LEU 23 -7.704 -6.068 28.211 150 HA LEU 23 HA LEU 23 -6.822 -4.143 26.512 151 1HB LEU 23 1HB LEU 23 -6.712 -7.105 26.552 152 2HB LEU 23 2HB LEU 23 -6.184 -6.343 25.051 153 HG LEU 23 HG LEU 23 -5.167 -5.619 27.817 154 1HD1 LEU 23 1HD1 LEU 23 -4.279 -7.560 25.745 155 2HD1 LEU 23 2HD1 LEU 23 -3.019 -6.585 26.498 156 3HD1 LEU 23 3HD1 LEU 23 -4.057 -7.603 27.494 157 1HD2 LEU 23 1HD2 LEU 23 -4.510 -4.679 25.018 158 2HD2 LEU 23 2HD2 LEU 23 -4.999 -3.705 26.404 159 3HD2 LEU 23 3HD2 LEU 23 -3.401 -4.451 26.370 160 H PHE 24 H PHE 24 -8.862 -6.815 25.228 161 HA PHE 24 HA PHE 24 -9.262 -5.772 22.641 162 1HB PHE 24 1HB PHE 24 -10.876 -7.502 24.514 163 2HB PHE 24 2HB PHE 24 -11.456 -7.144 22.887 164 HD1 PHE 24 HD1 PHE 24 -9.535 -7.383 21.005 165 HD2 PHE 24 HD2 PHE 24 -9.604 -9.432 24.780 166 HE1 PHE 24 HE1 PHE 24 -8.032 -9.130 20.085 167 HE2 PHE 24 HE2 PHE 24 -8.102 -11.178 23.859 168 HZ PHE 24 HZ PHE 24 -7.317 -11.027 21.512 169 H GLU 25 H GLU 25 -10.793 -4.907 25.681 170 HA GLU 25 HA GLU 25 -12.807 -3.196 24.334 171 1HB GLU 25 1HB GLU 25 -13.572 -4.433 26.227 172 2HB GLU 25 2HB GLU 25 -12.151 -3.999 27.177 173 1HG GLU 25 1HG GLU 25 -13.072 -2.039 27.840 174 2HG GLU 25 2HG GLU 25 -13.621 -1.657 26.207 175 H LYS 26 H LYS 26 -10.139 -2.797 26.701 176 HA LYS 26 HA LYS 26 -10.176 0.066 26.741 177 1HB LYS 26 1HB LYS 26 -9.048 -1.111 28.469 178 2HB LYS 26 2HB LYS 26 -8.142 -2.092 27.320 179 1HG LYS 26 1HG LYS 26 -6.727 -0.324 28.338 180 2HG LYS 26 2HG LYS 26 -6.881 -0.114 26.593 181 1HD LYS 26 1HD LYS 26 -8.827 1.463 27.092 182 2HD LYS 26 2HD LYS 26 -8.316 1.411 28.779 183 1HE LYS 26 1HE LYS 26 -6.086 1.913 26.931 184 2HE LYS 26 2HE LYS 26 -7.330 3.177 26.889 185 1HZ LYS 26 1HZ LYS 26 -6.629 2.091 29.505 186 2HZ LYS 26 2HZ LYS 26 -5.460 3.078 28.769 187 3HZ LYS 26 3HZ LYS 26 -7.019 3.684 29.065 188 H ALA 27 H ALA 27 -9.026 -2.199 24.382 189 HA ALA 27 HA ALA 27 -6.953 -0.680 23.133 190 1HB ALA 27 1HB ALA 27 -8.957 -2.740 22.176 191 2HB ALA 27 2HB ALA 27 -7.659 -2.134 21.147 192 3HB ALA 27 3HB ALA 27 -7.274 -3.005 22.632 193 H ALA 28 H ALA 28 -10.470 -0.510 22.917 194 HA ALA 28 HA ALA 28 -10.601 1.140 20.547 195 1HB ALA 28 1HB ALA 28 -12.329 0.004 22.606 196 2HB ALA 28 2HB ALA 28 -12.702 0.377 20.923 197 3HB ALA 28 3HB ALA 28 -12.843 1.631 22.155 198 H ASP 29 H ASP 29 -9.787 1.764 23.853 199 HA ASP 29 HA ASP 29 -10.219 4.703 23.499 200 1HB ASP 29 1HB ASP 29 -9.664 2.975 25.934 201 2HB ASP 29 2HB ASP 29 -9.979 4.710 25.974 202 H ALA 30 H ALA 30 -7.859 2.592 22.810 203 HA ALA 30 HA ALA 30 -5.642 4.229 23.973 204 1HB ALA 30 1HB ALA 30 -5.988 1.619 24.163 205 2HB ALA 30 2HB ALA 30 -5.318 1.613 22.531 206 3HB ALA 30 3HB ALA 30 -4.373 2.264 23.869 207 H GLY 31 H GLY 31 -7.048 3.054 20.955 208 1HA GLY 31 1HA GLY 31 -5.742 5.177 19.449 209 2HA GLY 31 2HA GLY 31 -6.795 3.930 18.778 210 H LEU 32 H LEU 32 -5.640 1.606 19.144 211 HA LEU 32 HA LEU 32 -2.727 1.740 18.642 212 1HB LEU 32 1HB LEU 32 -4.746 -0.170 19.560 213 2HB LEU 32 2HB LEU 32 -3.609 -0.890 18.421 214 HG LEU 32 HG LEU 32 -2.666 0.799 20.741 215 1HD1 LEU 32 1HD1 LEU 32 -3.747 -1.949 20.741 216 2HD1 LEU 32 2HD1 LEU 32 -2.163 -1.784 21.500 217 3HD1 LEU 32 3HD1 LEU 32 -3.525 -0.828 22.084 218 1HD2 LEU 32 1HD2 LEU 32 -1.395 -0.306 18.526 219 2HD2 LEU 32 2HD2 LEU 32 -0.602 0.236 20.005 220 3HD2 LEU 32 3HD2 LEU 32 -1.053 -1.458 19.817 221 H ASP 33 H ASP 33 -1.904 0.307 16.792 222 HA ASP 33 HA ASP 33 -2.836 1.241 14.273 223 1HB ASP 33 1HB ASP 33 -0.577 0.347 14.829 224 2HB ASP 33 2HB ASP 33 -1.274 -1.266 14.971 225 H GLY 34 H GLY 34 -3.628 -0.276 12.487 226 1HA GLY 34 1HA GLY 34 -5.630 -1.372 11.787 227 2HA GLY 34 2HA GLY 34 -5.984 -1.746 13.474 228 H GLU 35 H GLU 35 -2.837 -2.399 12.076 229 HA GLU 35 HA GLU 35 -3.399 -5.191 11.428 230 1HB GLU 35 1HB GLU 35 -1.218 -3.231 11.287 231 2HB GLU 35 2HB GLU 35 -0.653 -4.858 11.665 232 1HG GLU 35 1HG GLU 35 -1.328 -5.711 9.636 233 2HG GLU 35 2HG GLU 35 -2.686 -4.595 9.500 234 H ASP 36 H ASP 36 -2.886 -3.506 14.322 235 HA ASP 36 HA ASP 36 -1.730 -5.896 15.708 236 1HB ASP 36 1HB ASP 36 -1.950 -2.935 16.303 237 2HB ASP 36 2HB ASP 36 -1.458 -4.095 17.537 238 H TYR 37 H TYR 37 -4.323 -3.444 16.037 239 HA TYR 37 HA TYR 37 -5.898 -5.471 17.590 240 1HB TYR 37 1HB TYR 37 -5.137 -3.920 19.201 241 2HB TYR 37 2HB TYR 37 -5.292 -2.558 18.093 242 HD1 TYR 37 HD1 TYR 37 -7.411 -5.229 19.666 243 HD2 TYR 37 HD2 TYR 37 -7.149 -1.161 18.313 244 HE1 TYR 37 HE1 TYR 37 -9.701 -4.800 20.514 245 HE2 TYR 37 HE2 TYR 37 -9.440 -0.732 19.163 246 HH TYR 37 HH TYR 37 -10.930 -1.875 21.089 247 H GLY 38 H GLY 38 -8.078 -5.593 17.016 248 1HA GLY 38 1HA GLY 38 -8.874 -4.281 14.527 249 2HA GLY 38 2HA GLY 38 -9.770 -3.716 15.936 250 H THR 39 H THR 39 -11.626 -4.701 14.704 251 HA THR 39 HA THR 39 -12.171 -7.395 15.729 252 HB THR 39 HB THR 39 -13.757 -5.507 13.956 253 HG1 THR 39 HG1 THR 39 -14.429 -4.605 15.765 254 1HG2 THR 39 1HG2 THR 39 -14.222 -8.201 14.786 255 2HG2 THR 39 2HG2 THR 39 -15.367 -7.159 15.634 256 3HG2 THR 39 3HG2 THR 39 -15.294 -7.139 13.872 257 H MET 40 H MET 40 -11.997 -9.270 14.541 258 HA MET 40 HA MET 40 -11.226 -9.020 11.667 259 1HB MET 40 1HB MET 40 -10.119 -10.356 13.797 260 2HB MET 40 2HB MET 40 -11.075 -11.628 13.038 261 1HG MET 40 1HG MET 40 -9.191 -9.841 11.484 262 2HG MET 40 2HG MET 40 -8.696 -11.390 12.165 263 1HE MET 40 1HE MET 40 -8.391 -13.127 10.792 264 2HE MET 40 2HE MET 40 -9.878 -13.752 11.498 265 3HE MET 40 3HE MET 40 -9.602 -13.905 9.765 266 H GLU 41 H GLU 41 -12.610 -9.772 10.100 267 HA GLU 41 HA GLU 41 -15.136 -11.095 10.989 268 1HB GLU 41 1HB GLU 41 -15.037 -8.928 9.637 269 2HB GLU 41 2HB GLU 41 -14.420 -9.896 8.299 270 1HG GLU 41 1HG GLU 41 -16.428 -11.238 8.253 271 2HG GLU 41 2HG GLU 41 -17.016 -10.498 9.742 272 H VAL 42 H VAL 42 -15.029 -13.316 10.839 273 HA VAL 42 HA VAL 42 -13.624 -14.478 8.451 274 HB VAL 42 HB VAL 42 -13.863 -15.711 11.208 275 1HG1 VAL 42 1HG1 VAL 42 -12.997 -16.675 8.701 276 2HG1 VAL 42 2HG1 VAL 42 -11.531 -16.388 9.636 277 3HG1 VAL 42 3HG1 VAL 42 -12.785 -17.453 10.269 278 1HG2 VAL 42 1HG2 VAL 42 -12.194 -13.504 10.290 279 2HG2 VAL 42 2HG2 VAL 42 -12.402 -14.143 11.920 280 3HG2 VAL 42 3HG2 VAL 42 -11.223 -14.874 10.831 281 H ALA 43 H ALA 43 -15.405 -15.021 7.175 282 HA ALA 43 HA ALA 43 -17.947 -15.916 8.156 283 1HB ALA 43 1HB ALA 43 -17.643 -16.958 5.610 284 2HB ALA 43 2HB ALA 43 -16.470 -15.641 5.626 285 3HB ALA 43 3HB ALA 43 -18.168 -15.314 5.970 286 H GLU 44 H GLU 44 -18.498 -17.909 8.968 287 HA GLU 44 HA GLU 44 -16.819 -19.973 9.679 288 1HB GLU 44 1HB GLU 44 -19.497 -19.493 9.711 289 2HB GLU 44 2HB GLU 44 -19.430 -20.800 8.529 290 1HG GLU 44 1HG GLU 44 -17.809 -21.153 11.001 291 2HG GLU 44 2HG GLU 44 -19.559 -21.254 11.184 292 H GLY 45 H GLY 45 -15.333 -21.011 8.422 293 1HA GLY 45 1HA GLY 45 -16.220 -21.984 5.739 294 2HA GLY 45 2HA GLY 45 -15.011 -22.795 6.736 295 H GLU 46 H GLU 46 -14.174 -19.795 7.338 296 HA GLU 46 HA GLU 46 -12.517 -19.483 4.851 297 1HB GLU 46 1HB GLU 46 -14.067 -17.633 6.597 298 2HB GLU 46 2HB GLU 46 -12.544 -17.020 5.952 299 1HG GLU 46 1HG GLU 46 -13.721 -18.291 3.771 300 2HG GLU 46 2HG GLU 46 -15.079 -17.508 4.579 301 H TYR 47 H TYR 47 -10.477 -20.217 5.377 302 HA TYR 47 HA TYR 47 -9.284 -20.614 7.844 303 1HB TYR 47 1HB TYR 47 -8.291 -19.774 5.132 304 2HB TYR 47 2HB TYR 47 -7.144 -19.922 6.461 305 HD1 TYR 47 HD1 TYR 47 -10.117 -22.025 6.553 306 HD2 TYR 47 HD2 TYR 47 -6.043 -21.796 5.209 307 HE1 TYR 47 HE1 TYR 47 -10.079 -24.486 6.249 308 HE2 TYR 47 HE2 TYR 47 -6.005 -24.256 4.906 309 HH TYR 47 HH TYR 47 -8.719 -26.134 4.776 310 H ILE 48 H ILE 48 -8.807 -19.254 9.524 311 HA ILE 48 HA ILE 48 -9.371 -16.577 9.799 312 HB ILE 48 HB ILE 48 -7.157 -18.322 10.878 313 1HG1 ILE 48 1HG1 ILE 48 -9.749 -17.184 11.957 314 2HG1 ILE 48 2HG1 ILE 48 -9.368 -18.878 11.651 315 1HG2 ILE 48 1HG2 ILE 48 -7.787 -15.459 11.664 316 2HG2 ILE 48 2HG2 ILE 48 -6.735 -16.544 12.572 317 3HG2 ILE 48 3HG2 ILE 48 -6.283 -16.037 10.946 318 1HD1 ILE 48 1HD1 ILE 48 -7.568 -18.743 13.377 319 2HD1 ILE 48 2HD1 ILE 48 -8.067 -17.089 13.727 320 3HD1 ILE 48 3HD1 ILE 48 -9.169 -18.428 14.044 321 H LEU 49 H LEU 49 -6.097 -17.749 8.893 322 HA LEU 49 HA LEU 49 -4.891 -15.290 8.320 323 1HB LEU 49 1HB LEU 49 -3.575 -17.252 8.283 324 2HB LEU 49 2HB LEU 49 -4.673 -18.072 7.174 325 HG LEU 49 HG LEU 49 -3.993 -16.632 5.344 326 1HD1 LEU 49 1HD1 LEU 49 -3.297 -14.865 7.446 327 2HD1 LEU 49 2HD1 LEU 49 -1.803 -15.223 6.582 328 3HD1 LEU 49 3HD1 LEU 49 -3.186 -14.562 5.713 329 1HD2 LEU 49 1HD2 LEU 49 -2.283 -18.424 6.683 330 2HD2 LEU 49 2HD2 LEU 49 -2.161 -17.900 5.004 331 3HD2 LEU 49 3HD2 LEU 49 -1.274 -17.039 6.263 332 H GLU 50 H GLU 50 -7.154 -17.159 6.341 333 HA GLU 50 HA GLU 50 -6.846 -15.480 3.970 334 1HB GLU 50 1HB GLU 50 -7.497 -17.860 3.911 335 2HB GLU 50 2HB GLU 50 -8.951 -17.490 4.839 336 1HG GLU 50 1HG GLU 50 -10.029 -16.603 3.035 337 2HG GLU 50 2HG GLU 50 -8.564 -15.849 2.407 338 H ALA 51 H ALA 51 -9.451 -15.913 6.400 339 HA ALA 51 HA ALA 51 -11.274 -13.995 5.519 340 1HB ALA 51 1HB ALA 51 -10.425 -15.158 8.124 341 2HB ALA 51 2HB ALA 51 -12.011 -15.182 7.351 342 3HB ALA 51 3HB ALA 51 -11.463 -13.733 8.195 343 H ALA 52 H ALA 52 -8.494 -13.454 7.673 344 HA ALA 52 HA ALA 52 -8.896 -10.565 7.739 345 1HB ALA 52 1HB ALA 52 -7.431 -10.751 9.463 346 2HB ALA 52 2HB ALA 52 -7.577 -12.494 9.235 347 3HB ALA 52 3HB ALA 52 -6.256 -11.614 8.468 348 H GLU 53 H GLU 53 -6.852 -12.822 5.947 349 HA GLU 53 HA GLU 53 -5.043 -10.973 4.763 350 1HB GLU 53 1HB GLU 53 -4.628 -13.306 4.574 351 2HB GLU 53 2HB GLU 53 -6.249 -13.623 3.955 352 1HG GLU 53 1HG GLU 53 -5.741 -12.723 1.833 353 2HG GLU 53 2HG GLU 53 -4.332 -11.855 2.441 354 H ALA 54 H ALA 54 -8.356 -11.854 3.960 355 HA ALA 54 HA ALA 54 -8.388 -10.402 1.417 356 1HB ALA 54 1HB ALA 54 -10.032 -11.968 1.298 357 2HB ALA 54 2HB ALA 54 -10.096 -12.137 3.052 358 3HB ALA 54 3HB ALA 54 -11.001 -10.849 2.257 359 H GLN 55 H GLN 55 -8.223 -9.334 4.541 360 HA GLN 55 HA GLN 55 -10.000 -6.972 4.021 361 1HB GLN 55 1HB GLN 55 -9.174 -8.535 6.455 362 2HB GLN 55 2HB GLN 55 -9.693 -6.860 6.635 363 1HG GLN 55 1HG GLN 55 -11.665 -7.768 5.024 364 2HG GLN 55 2HG GLN 55 -11.270 -9.262 5.872 365 2HE2 GLN 55 2HE2 GLN 55 -12.311 -9.517 7.855 366 1HE2 GLN 55 1HE2 GLN 55 -12.947 -8.252 8.792 367 H GLY 56 H GLY 56 -6.805 -8.015 5.181 368 1HA GLY 56 1HA GLY 56 -5.920 -5.166 5.162 369 2HA GLY 56 2HA GLY 56 -5.023 -6.362 4.230 370 H TYR 57 H TYR 57 -5.370 -8.487 6.241 371 HA TYR 57 HA TYR 57 -3.723 -7.376 8.485 372 1HB TYR 57 1HB TYR 57 -5.533 -9.798 8.241 373 2HB TYR 57 2HB TYR 57 -4.582 -9.420 9.676 374 HD1 TYR 57 HD1 TYR 57 -4.804 -6.700 10.242 375 HD2 TYR 57 HD2 TYR 57 -7.770 -9.224 8.435 376 HE1 TYR 57 HE1 TYR 57 -6.588 -5.159 11.015 377 HE2 TYR 57 HE2 TYR 57 -9.552 -7.690 9.207 378 HH TYR 57 HH TYR 57 -9.335 -4.820 9.900 379 H ASP 58 H ASP 58 -1.727 -8.362 8.919 380 HA ASP 58 HA ASP 58 -0.837 -10.441 6.948 381 1HB ASP 58 1HB ASP 58 0.665 -8.306 8.499 382 2HB ASP 58 2HB ASP 58 1.414 -9.452 7.385 383 H TRP 59 H TRP 59 -0.116 -12.382 7.779 384 HA TRP 59 HA TRP 59 0.355 -12.550 10.738 385 1HB TRP 59 1HB TRP 59 -0.974 -14.619 8.961 386 2HB TRP 59 2HB TRP 59 -0.885 -14.632 10.722 387 HD1 TRP 59 HD1 TRP 59 -2.232 -12.272 7.962 388 HE1 TRP 59 HE1 TRP 59 -4.424 -11.225 8.812 389 HE3 TRP 59 HE3 TRP 59 -2.458 -14.348 12.623 390 HZ2 TRP 59 HZ2 TRP 59 -6.061 -11.257 11.154 391 HZ3 TRP 59 HZ3 TRP 59 -4.347 -13.824 14.141 392 HH2 TRP 59 HH2 TRP 59 -6.147 -12.283 13.412 393 HA PRO 60 HA PRO 60 4.096 -14.567 9.627 394 1HB PRO 60 1HB PRO 60 4.455 -16.161 11.824 395 2HB PRO 60 2HB PRO 60 4.708 -14.406 11.852 396 1HG PRO 60 1HG PRO 60 2.380 -16.007 12.800 397 2HG PRO 60 2HG PRO 60 3.129 -14.574 13.518 398 1HD PRO 60 1HD PRO 60 0.813 -14.512 12.067 399 2HD PRO 60 2HD PRO 60 1.927 -13.136 12.199 400 H PHE 61 H PHE 61 4.573 -16.393 8.406 401 HA PHE 61 HA PHE 61 3.212 -18.956 8.922 402 1HB PHE 61 1HB PHE 61 2.132 -18.972 6.703 403 2HB PHE 61 2HB PHE 61 1.571 -17.595 7.652 404 HD1 PHE 61 HD1 PHE 61 4.197 -18.552 5.154 405 HD2 PHE 61 HD2 PHE 61 1.716 -15.434 6.758 406 HE1 PHE 61 HE1 PHE 61 4.994 -17.009 3.384 407 HE2 PHE 61 HE2 PHE 61 2.512 -13.890 4.988 408 HZ PHE 61 HZ PHE 61 4.151 -14.677 3.302 409 H SER 62 H SER 62 4.258 -20.692 7.819 410 HA SER 62 HA SER 62 6.547 -20.004 6.036 411 1HB SER 62 1HB SER 62 6.893 -21.938 8.315 412 2HB SER 62 2HB SER 62 8.118 -20.994 7.467 413 HG SER 62 HG SER 62 7.313 -19.139 8.457 414 H CYS 63 H CYS 63 5.098 -22.817 7.729 415 HA CYS 63 HA CYS 63 5.608 -24.574 5.467 416 1HB CYS 63 1HB CYS 63 4.998 -26.223 6.980 417 2HB CYS 63 2HB CYS 63 5.447 -24.930 8.087 418 H ARG 64 H ARG 64 2.711 -22.930 6.765 419 HA ARG 64 HA ARG 64 0.633 -22.474 5.730 420 1HB ARG 64 1HB ARG 64 2.726 -22.418 3.807 421 2HB ARG 64 2HB ARG 64 1.335 -23.182 3.037 422 1HG ARG 64 1HG ARG 64 0.157 -21.246 3.002 423 2HG ARG 64 2HG ARG 64 0.617 -20.841 4.656 424 1HD ARG 64 1HD ARG 64 1.718 -19.157 3.446 425 2HD ARG 64 2HD ARG 64 2.989 -20.391 3.538 426 HE ARG 64 HE ARG 64 1.628 -21.147 1.287 427 1HH1 ARG 64 1HH1 ARG 64 2.919 -18.153 2.426 428 2HH1 ARG 64 2HH1 ARG 64 3.158 -17.503 0.838 429 1HH2 ARG 64 1HH2 ARG 64 1.902 -20.294 -0.789 430 2HH2 ARG 64 2HH2 ARG 64 2.584 -18.714 -0.978 431 H ALA 65 H ALA 65 1.290 -25.322 6.541 432 HA ALA 65 HA ALA 65 -0.839 -26.649 4.945 433 1HB ALA 65 1HB ALA 65 1.446 -28.320 5.818 434 2HB ALA 65 2HB ALA 65 0.573 -28.325 4.286 435 3HB ALA 65 3HB ALA 65 1.828 -27.122 4.583 436 H GLY 66 H GLY 66 0.162 -25.666 7.954 437 1HA GLY 66 1HA GLY 66 -1.715 -27.478 9.285 438 2HA GLY 66 2HA GLY 66 -0.851 -26.144 10.046 439 H ALA 67 H ALA 67 1.807 -26.968 9.278 440 HA ALA 67 HA ALA 67 2.077 -29.445 10.945 441 1HB ALA 67 1HB ALA 67 2.717 -30.320 8.941 442 2HB ALA 67 2HB ALA 67 3.006 -28.730 8.235 443 3HB ALA 67 3HB ALA 67 4.234 -29.478 9.257 444 H CYS 68 H CYS 68 2.592 -26.253 11.151 445 HA CYS 68 HA CYS 68 5.023 -26.631 12.817 446 1HB CYS 68 1HB CYS 68 6.344 -25.183 11.580 447 2HB CYS 68 2HB CYS 68 5.367 -25.870 10.289 448 H ALA 69 H ALA 69 5.485 -24.276 13.886 449 HA ALA 69 HA ALA 69 2.811 -23.258 14.801 450 1HB ALA 69 1HB ALA 69 5.321 -24.105 16.156 451 2HB ALA 69 2HB ALA 69 3.648 -24.272 16.686 452 3HB ALA 69 3HB ALA 69 4.475 -22.726 16.859 453 H ASN 70 H ASN 70 5.170 -22.315 12.816 454 HA ASN 70 HA ASN 70 6.192 -19.846 13.755 455 1HB ASN 70 1HB ASN 70 5.560 -21.117 11.118 456 2HB ASN 70 2HB ASN 70 5.982 -19.405 11.127 457 2HD2 ASN 70 2HD2 ASN 70 7.193 -22.636 12.087 458 1HD2 ASN 70 1HD2 ASN 70 8.831 -22.191 12.108 459 H CYS 71 H CYS 71 3.092 -20.606 12.172 460 HA CYS 71 HA CYS 71 2.229 -17.783 12.238 461 1HB CYS 71 1HB CYS 71 0.335 -18.648 11.019 462 2HB CYS 71 2HB CYS 71 1.752 -19.507 10.417 463 H ALA 72 H ALA 72 2.666 -19.815 14.651 464 HA ALA 72 HA ALA 72 0.359 -20.439 16.030 465 1HB ALA 72 1HB ALA 72 3.028 -19.313 16.859 466 2HB ALA 72 2HB ALA 72 2.446 -20.974 16.982 467 3HB ALA 72 3HB ALA 72 1.818 -19.737 18.071 468 H SER 73 H SER 73 -0.953 -19.334 17.585 469 HA SER 73 HA SER 73 -0.914 -16.339 17.506 470 1HB SER 73 1HB SER 73 -3.300 -16.363 17.059 471 2HB SER 73 2HB SER 73 -2.515 -17.387 15.854 472 HG SER 73 HG SER 73 -3.605 -18.999 16.590 473 H ILE 74 H ILE 74 -3.182 -15.990 19.106 474 HA ILE 74 HA ILE 74 -2.776 -17.643 21.540 475 HB ILE 74 HB ILE 74 -2.228 -14.692 21.209 476 1HG1 ILE 74 1HG1 ILE 74 -0.334 -16.212 20.943 477 2HG1 ILE 74 2HG1 ILE 74 -0.169 -15.334 22.464 478 1HG2 ILE 74 1HG2 ILE 74 -3.131 -16.207 23.641 479 2HG2 ILE 74 2HG2 ILE 74 -1.967 -14.895 23.826 480 3HG2 ILE 74 3HG2 ILE 74 -3.554 -14.573 23.127 481 1HD1 ILE 74 1HD1 ILE 74 -1.444 -17.368 23.491 482 2HD1 ILE 74 2HD1 ILE 74 -0.959 -18.204 22.016 483 3HD1 ILE 74 3HD1 ILE 74 0.266 -17.551 23.103 484 H VAL 75 H VAL 75 -5.008 -18.241 20.722 485 HA VAL 75 HA VAL 75 -7.191 -16.444 20.517 486 HB VAL 75 HB VAL 75 -7.262 -18.787 19.842 487 1HG1 VAL 75 1HG1 VAL 75 -6.185 -19.166 22.496 488 2HG1 VAL 75 2HG1 VAL 75 -7.628 -20.157 22.287 489 3HG1 VAL 75 3HG1 VAL 75 -6.276 -20.319 21.165 490 1HG2 VAL 75 1HG2 VAL 75 -9.163 -17.952 22.030 491 2HG2 VAL 75 2HG2 VAL 75 -9.439 -17.983 20.289 492 3HG2 VAL 75 3HG2 VAL 75 -9.354 -19.493 21.195 493 H LYS 76 H LYS 76 -7.964 -15.053 22.082 494 HA LYS 76 HA LYS 76 -7.376 -15.599 24.935 495 1HB LYS 76 1HB LYS 76 -8.610 -13.285 23.409 496 2HB LYS 76 2HB LYS 76 -8.323 -13.273 25.150 497 1HG LYS 76 1HG LYS 76 -5.928 -14.145 23.836 498 2HG LYS 76 2HG LYS 76 -6.477 -12.654 23.070 499 1HD LYS 76 1HD LYS 76 -6.863 -12.065 25.714 500 2HD LYS 76 2HD LYS 76 -5.436 -13.098 25.799 501 1HE LYS 76 1HE LYS 76 -4.110 -11.550 24.748 502 2HE LYS 76 2HE LYS 76 -5.403 -11.062 23.636 503 1HZ LYS 76 1HZ LYS 76 -6.503 -10.199 25.805 504 2HZ LYS 76 2HZ LYS 76 -4.918 -10.209 26.417 505 3HZ LYS 76 3HZ LYS 76 -5.299 -9.262 25.060 506 H GLU 77 H GLU 77 -9.909 -16.137 22.711 507 HA GLU 77 HA GLU 77 -11.662 -17.237 24.735 508 1HB GLU 77 1HB GLU 77 -11.706 -14.489 24.538 509 2HB GLU 77 2HB GLU 77 -13.025 -14.953 23.464 510 1HG GLU 77 1HG GLU 77 -13.558 -16.598 25.533 511 2HG GLU 77 2HG GLU 77 -12.768 -15.288 26.411 512 H GLY 78 H GLY 78 -14.013 -17.457 23.562 513 1HA GLY 78 1HA GLY 78 -14.033 -17.567 20.686 514 2HA GLY 78 2HA GLY 78 -15.202 -18.356 21.746 515 H GLU 79 H GLU 79 -14.776 -19.996 19.833 516 HA GLU 79 HA GLU 79 -12.513 -21.796 20.647 517 1HB GLU 79 1HB GLU 79 -14.523 -22.763 21.463 518 2HB GLU 79 2HB GLU 79 -15.424 -22.307 20.017 519 1HG GLU 79 1HG GLU 79 -14.509 -24.027 18.741 520 2HG GLU 79 2HG GLU 79 -13.063 -24.140 19.744 521 H ILE 80 H ILE 80 -11.130 -22.144 18.960 522 HA ILE 80 HA ILE 80 -12.081 -21.610 16.181 523 HB ILE 80 HB ILE 80 -9.343 -21.897 17.459 524 1HG1 ILE 80 1HG1 ILE 80 -10.544 -19.434 16.198 525 2HG1 ILE 80 2HG1 ILE 80 -10.842 -19.827 17.891 526 1HG2 ILE 80 1HG2 ILE 80 -10.210 -21.961 14.671 527 2HG2 ILE 80 2HG2 ILE 80 -9.069 -20.653 14.983 528 3HG2 ILE 80 3HG2 ILE 80 -8.627 -22.318 15.358 529 1HD1 ILE 80 1HD1 ILE 80 -8.389 -19.924 18.278 530 2HD1 ILE 80 2HD1 ILE 80 -8.122 -19.464 16.595 531 3HD1 ILE 80 3HD1 ILE 80 -8.901 -18.335 17.705 532 H ASP 81 H ASP 81 -12.256 -23.301 14.731 533 HA ASP 81 HA ASP 81 -11.619 -26.033 15.719 534 1HB ASP 81 1HB ASP 81 -13.839 -25.095 14.646 535 2HB ASP 81 2HB ASP 81 -12.984 -25.365 13.127 536 H MET 82 H MET 82 -10.069 -27.324 14.724 537 HA MET 82 HA MET 82 -8.605 -26.142 12.382 538 1HB MET 82 1HB MET 82 -7.763 -27.179 15.030 539 2HB MET 82 2HB MET 82 -6.764 -27.687 13.669 540 1HG MET 82 1HG MET 82 -6.128 -25.504 13.150 541 2HG MET 82 2HG MET 82 -7.554 -24.800 13.911 542 1HE MET 82 1HE MET 82 -5.071 -27.400 14.627 543 2HE MET 82 2HE MET 82 -4.175 -26.938 16.072 544 3HE MET 82 3HE MET 82 -5.796 -27.612 16.228 545 H ASP 83 H ASP 83 -7.016 -28.225 11.689 546 HA ASP 83 HA ASP 83 -8.964 -30.243 10.732 547 1HB ASP 83 1HB ASP 83 -7.123 -28.925 9.416 548 2HB ASP 83 2HB ASP 83 -6.020 -30.119 10.100 549 H MET 84 H MET 84 -7.846 -32.569 10.584 550 HA MET 84 HA MET 84 -7.432 -33.467 13.323 551 1HB MET 84 1HB MET 84 -8.443 -34.536 11.053 552 2HB MET 84 2HB MET 84 -6.812 -35.205 10.986 553 1HG MET 84 1HG MET 84 -8.227 -35.331 13.608 554 2HG MET 84 2HG MET 84 -8.791 -36.416 12.337 555 1HE MET 84 1HE MET 84 -7.826 -38.114 11.359 556 2HE MET 84 2HE MET 84 -6.424 -39.044 11.882 557 3HE MET 84 3HE MET 84 -7.842 -38.940 12.922 558 H GLN 85 H GLN 85 -5.428 -32.065 13.656 559 HA GLN 85 HA GLN 85 -3.014 -33.679 13.121 560 1HB GLN 85 1HB GLN 85 -3.830 -31.376 11.562 561 2HB GLN 85 2HB GLN 85 -2.294 -31.057 12.367 562 1HG GLN 85 1HG GLN 85 -1.383 -33.168 11.467 563 2HG GLN 85 2HG GLN 85 -2.920 -33.488 10.662 564 2HE2 GLN 85 2HE2 GLN 85 -3.387 -30.672 9.889 565 1HE2 GLN 85 1HE2 GLN 85 -2.270 -30.317 8.661 566 H GLN 86 H GLN 86 -3.382 -30.217 13.878 567 HA GLN 86 HA GLN 86 -2.862 -29.017 15.849 568 1HB GLN 86 1HB GLN 86 -4.384 -31.049 16.610 569 2HB GLN 86 2HB GLN 86 -2.885 -31.620 17.345 570 1HG GLN 86 1HG GLN 86 -2.863 -29.948 18.908 571 2HG GLN 86 2HG GLN 86 -3.534 -28.759 17.791 572 2HE2 GLN 86 2HE2 GLN 86 -5.549 -28.086 18.535 573 1HE2 GLN 86 1HE2 GLN 86 -6.714 -29.092 19.251 574 H ILE 87 H ILE 87 -0.697 -28.473 15.359 575 HA ILE 87 HA ILE 87 1.494 -30.379 15.609 576 HB ILE 87 HB ILE 87 1.179 -27.401 15.208 577 1HG1 ILE 87 1HG1 ILE 87 0.751 -29.013 13.337 578 2HG1 ILE 87 2HG1 ILE 87 2.090 -27.912 13.009 579 1HG2 ILE 87 1HG2 ILE 87 3.211 -27.780 16.588 580 2HG2 ILE 87 2HG2 ILE 87 3.792 -28.935 15.389 581 3HG2 ILE 87 3HG2 ILE 87 3.618 -27.233 14.962 582 1HD1 ILE 87 1HD1 ILE 87 2.952 -30.332 14.408 583 2HD1 ILE 87 2HD1 ILE 87 2.195 -30.686 12.855 584 3HD1 ILE 87 3HD1 ILE 87 3.586 -29.607 12.932 585 H LEU 88 H LEU 88 0.064 -27.869 17.669 586 HA LEU 88 HA LEU 88 2.149 -28.191 19.732 587 1HB LEU 88 1HB LEU 88 0.694 -26.476 20.872 588 2HB LEU 88 2HB LEU 88 1.218 -25.995 19.257 589 HG LEU 88 HG LEU 88 -1.222 -27.524 19.072 590 1HD1 LEU 88 1HD1 LEU 88 -1.257 -25.122 20.923 591 2HD1 LEU 88 2HD1 LEU 88 -2.697 -25.858 20.218 592 3HD1 LEU 88 3HD1 LEU 88 -1.696 -26.779 21.341 593 1HD2 LEU 88 1HD2 LEU 88 -0.175 -25.800 17.490 594 2HD2 LEU 88 2HD2 LEU 88 -1.916 -25.672 17.743 595 3HD2 LEU 88 3HD2 LEU 88 -0.819 -24.569 18.575 596 H SER 89 H SER 89 1.165 -28.429 22.080 597 HA SER 89 HA SER 89 -0.422 -30.938 22.088 598 1HB SER 89 1HB SER 89 1.802 -30.289 23.369 599 2HB SER 89 2HB SER 89 0.680 -29.551 24.513 600 HG SER 89 HG SER 89 -0.126 -31.470 25.010 601 H ASP 90 H ASP 90 -2.071 -31.059 23.987 602 HA ASP 90 HA ASP 90 -4.149 -29.138 23.585 603 1HB ASP 90 1HB ASP 90 -4.368 -31.512 24.356 604 2HB ASP 90 2HB ASP 90 -3.675 -31.035 25.906 605 H GLU 91 H GLU 91 -1.972 -29.621 26.378 606 HA GLU 91 HA GLU 91 -2.834 -27.515 28.022 607 1HB GLU 91 1HB GLU 91 -0.129 -28.738 27.433 608 2HB GLU 91 2HB GLU 91 -0.339 -27.523 28.694 609 1HG GLU 91 1HG GLU 91 -2.044 -28.940 29.779 610 2HG GLU 91 2HG GLU 91 -1.841 -30.154 28.516 611 H GLU 92 H GLU 92 -1.137 -27.412 24.992 612 HA GLU 92 HA GLU 92 -0.144 -24.673 25.261 613 1HB GLU 92 1HB GLU 92 0.170 -26.928 23.573 614 2HB GLU 92 2HB GLU 92 -0.451 -25.634 22.549 615 1HG GLU 92 1HG GLU 92 1.825 -25.190 22.454 616 2HG GLU 92 2HG GLU 92 1.364 -24.192 23.833 617 H VAL 93 H VAL 93 -2.828 -26.269 23.528 618 HA VAL 93 HA VAL 93 -3.932 -23.782 22.499 619 HB VAL 93 HB VAL 93 -4.090 -26.207 21.617 620 1HG1 VAL 93 1HG1 VAL 93 -5.283 -26.585 24.129 621 2HG1 VAL 93 2HG1 VAL 93 -6.617 -26.655 22.976 622 3HG1 VAL 93 3HG1 VAL 93 -5.240 -27.742 22.800 623 1HG2 VAL 93 1HG2 VAL 93 -5.944 -23.997 21.542 624 2HG2 VAL 93 2HG2 VAL 93 -5.547 -25.149 20.266 625 3HG2 VAL 93 3HG2 VAL 93 -6.828 -25.518 21.421 626 H GLU 94 H GLU 94 -4.121 -25.472 25.503 627 HA GLU 94 HA GLU 94 -6.687 -24.188 26.273 628 1HB GLU 94 1HB GLU 94 -5.774 -26.645 26.689 629 2HB GLU 94 2HB GLU 94 -4.981 -25.882 28.067 630 1HG GLU 94 1HG GLU 94 -7.530 -24.842 28.212 631 2HG GLU 94 2HG GLU 94 -7.828 -26.483 27.640 632 H GLU 95 H GLU 95 -3.309 -24.377 27.464 633 HA GLU 95 HA GLU 95 -3.803 -22.061 29.250 634 1HB GLU 95 1HB GLU 95 -1.389 -23.844 28.788 635 2HB GLU 95 2HB GLU 95 -1.562 -22.677 30.098 636 1HG GLU 95 1HG GLU 95 -3.818 -24.026 30.527 637 2HG GLU 95 2HG GLU 95 -2.929 -25.310 29.708 638 H LYS 96 H LYS 96 -1.706 -22.957 26.495 639 HA LYS 96 HA LYS 96 -0.515 -20.279 26.363 640 1HB LYS 96 1HB LYS 96 0.140 -22.851 25.568 641 2HB LYS 96 2HB LYS 96 -0.262 -22.062 24.043 642 1HG LYS 96 1HG LYS 96 2.128 -21.773 24.558 643 2HG LYS 96 2HG LYS 96 1.296 -20.219 24.599 644 1HD LYS 96 1HD LYS 96 2.885 -20.659 26.542 645 2HD LYS 96 2HD LYS 96 1.241 -20.212 26.996 646 1HE LYS 96 1HE LYS 96 2.132 -22.184 28.296 647 2HE LYS 96 2HE LYS 96 0.671 -22.574 27.368 648 1HZ LYS 96 1HZ LYS 96 3.435 -22.913 26.327 649 2HZ LYS 96 2HZ LYS 96 2.550 -24.171 27.048 650 3HZ LYS 96 3HZ LYS 96 1.994 -23.457 25.611 651 H ASP 97 H ASP 97 -3.301 -21.874 25.036 652 HA ASP 97 HA ASP 97 -4.966 -21.097 23.544 653 1HB ASP 97 1HB ASP 97 -3.632 -18.727 24.752 654 2HB ASP 97 2HB ASP 97 -4.649 -18.418 23.341 655 H VAL 98 H VAL 98 -2.194 -21.824 22.526 656 HA VAL 98 HA VAL 98 -1.953 -20.008 20.187 657 HB VAL 98 HB VAL 98 0.199 -21.117 19.904 658 1HG1 VAL 98 1HG1 VAL 98 -0.675 -20.016 22.481 659 2HG1 VAL 98 2HG1 VAL 98 0.763 -21.029 22.608 660 3HG1 VAL 98 3HG1 VAL 98 0.759 -19.637 21.526 661 1HG2 VAL 98 1HG2 VAL 98 -1.077 -23.123 21.721 662 2HG2 VAL 98 2HG2 VAL 98 -0.077 -23.385 20.292 663 3HG2 VAL 98 3HG2 VAL 98 0.671 -22.905 21.816 664 H ARG 99 H ARG 99 -2.981 -20.552 18.339 665 HA ARG 99 HA ARG 99 -3.392 -23.459 17.722 666 1HB ARG 99 1HB ARG 99 -5.236 -21.067 17.520 667 2HB ARG 99 2HB ARG 99 -5.554 -22.564 16.644 668 1HG ARG 99 1HG ARG 99 -5.330 -23.763 18.889 669 2HG ARG 99 2HG ARG 99 -5.372 -22.168 19.640 670 1HD ARG 99 1HD ARG 99 -7.644 -22.492 19.633 671 2HD ARG 99 2HD ARG 99 -7.527 -22.037 17.923 672 HE ARG 99 HE ARG 99 -7.558 -24.389 17.339 673 1HH1 ARG 99 1HH1 ARG 99 -6.566 -26.368 18.591 674 2HH1 ARG 99 2HH1 ARG 99 -7.539 -26.821 19.950 675 1HH2 ARG 99 1HH2 ARG 99 -9.304 -23.835 20.016 676 2HH2 ARG 99 2HH2 ARG 99 -9.091 -25.386 20.757 677 H LEU 100 H LEU 100 -4.036 -23.561 15.219 678 HA LEU 100 HA LEU 100 -1.920 -22.043 13.772 679 1HB LEU 100 1HB LEU 100 -3.507 -24.568 13.339 680 2HB LEU 100 2HB LEU 100 -2.623 -23.829 12.003 681 HG LEU 100 HG LEU 100 -0.547 -23.900 13.351 682 1HD1 LEU 100 1HD1 LEU 100 -2.489 -24.863 15.404 683 2HD1 LEU 100 2HD1 LEU 100 -0.874 -25.572 15.415 684 3HD1 LEU 100 3HD1 LEU 100 -1.074 -23.829 15.597 685 1HD2 LEU 100 1HD2 LEU 100 -1.604 -25.916 11.959 686 2HD2 LEU 100 2HD2 LEU 100 -0.105 -26.116 12.866 687 3HD2 LEU 100 3HD2 LEU 100 -1.631 -26.677 13.550 688 H THR 101 H THR 101 -2.653 -20.159 12.874 689 HA THR 101 HA THR 101 -5.475 -19.764 12.189 690 HB THR 101 HB THR 101 -4.623 -17.505 11.593 691 HG1 THR 101 HG1 THR 101 -2.561 -17.193 11.290 692 1HG2 THR 101 1HG2 THR 101 -3.866 -18.831 14.174 693 2HG2 THR 101 2HG2 THR 101 -3.391 -17.155 13.897 694 3HG2 THR 101 3HG2 THR 101 -5.096 -17.605 13.868 695 H CYS 102 H CYS 102 -2.508 -20.584 10.478 696 HA CYS 102 HA CYS 102 -3.398 -19.851 7.834 697 1HB CYS 102 1HB CYS 102 -1.449 -21.129 7.146 698 2HB CYS 102 2HB CYS 102 -1.043 -20.265 8.628 699 H ILE 103 H ILE 103 -3.950 -22.661 9.872 700 HA ILE 103 HA ILE 103 -5.636 -23.825 7.684 701 HB ILE 103 HB ILE 103 -4.775 -26.043 8.359 702 1HG1 ILE 103 1HG1 ILE 103 -2.484 -25.244 9.868 703 2HG1 ILE 103 2HG1 ILE 103 -3.911 -24.560 10.646 704 1HG2 ILE 103 1HG2 ILE 103 -3.410 -24.060 6.941 705 2HG2 ILE 103 2HG2 ILE 103 -2.193 -24.731 8.028 706 3HG2 ILE 103 3HG2 ILE 103 -3.059 -25.788 6.913 707 1HD1 ILE 103 1HD1 ILE 103 -3.839 -27.443 9.751 708 2HD1 ILE 103 2HD1 ILE 103 -3.219 -26.957 11.330 709 3HD1 ILE 103 3HD1 ILE 103 -4.915 -26.686 10.926 710 H GLY 104 H GLY 104 -6.263 -22.210 10.160 711 1HA GLY 104 1HA GLY 104 -7.210 -23.008 12.410 712 2HA GLY 104 2HA GLY 104 -8.051 -24.228 11.454 713 H SER 105 H SER 105 -10.148 -23.482 11.946 714 HA SER 105 HA SER 105 -10.819 -20.736 10.935 715 1HB SER 105 1HB SER 105 -12.990 -22.639 10.723 716 2HB SER 105 2HB SER 105 -12.202 -21.722 9.440 717 HG SER 105 HG SER 105 -10.870 -23.344 9.054 718 HA PRO 106 HA PRO 106 -12.699 -20.209 14.877 719 1HB PRO 106 1HB PRO 106 -14.525 -18.269 14.240 720 2HB PRO 106 2HB PRO 106 -12.788 -17.951 14.395 721 1HG PRO 106 1HG PRO 106 -14.434 -18.368 11.941 722 2HG PRO 106 2HG PRO 106 -13.118 -17.220 12.233 723 1HD PRO 106 1HD PRO 106 -12.800 -19.541 10.840 724 2HD PRO 106 2HD PRO 106 -11.492 -18.776 11.768 725 H ALA 107 H ALA 107 -14.477 -21.090 15.968 726 HA ALA 107 HA ALA 107 -16.718 -22.129 14.260 727 1HB ALA 107 1HB ALA 107 -16.751 -24.006 15.923 728 2HB ALA 107 2HB ALA 107 -15.345 -23.286 16.708 729 3HB ALA 107 3HB ALA 107 -15.219 -23.889 15.055 730 H ALA 108 H ALA 108 -16.042 -19.787 16.430 731 HA ALA 108 HA ALA 108 -18.730 -20.008 17.747 732 1HB ALA 108 1HB ALA 108 -16.941 -20.434 19.338 733 2HB ALA 108 2HB ALA 108 -17.592 -18.828 19.665 734 3HB ALA 108 3HB ALA 108 -16.067 -19.001 18.796 735 H ASP 109 H ASP 109 -19.977 -18.121 17.688 736 HA ASP 109 HA ASP 109 -19.622 -16.164 15.714 737 1HB ASP 109 1HB ASP 109 -21.113 -16.386 18.305 738 2HB ASP 109 2HB ASP 109 -21.110 -14.830 17.475 739 H GLU 110 H GLU 110 -19.390 -15.242 19.152 740 HA GLU 110 HA GLU 110 -17.444 -13.136 18.469 741 1HB GLU 110 1HB GLU 110 -18.884 -14.038 20.979 742 2HB GLU 110 2HB GLU 110 -17.755 -12.684 20.960 743 1HG GLU 110 1HG GLU 110 -19.812 -12.631 18.834 744 2HG GLU 110 2HG GLU 110 -20.426 -12.433 20.475 745 H VAL 111 H VAL 111 -15.272 -13.573 18.488 746 HA VAL 111 HA VAL 111 -14.238 -15.539 20.494 747 HB VAL 111 HB VAL 111 -13.527 -15.356 17.548 748 1HG1 VAL 111 1HG1 VAL 111 -11.914 -16.218 19.562 749 2HG1 VAL 111 2HG1 VAL 111 -12.787 -17.707 19.195 750 3HG1 VAL 111 3HG1 VAL 111 -11.873 -16.886 17.930 751 1HG2 VAL 111 1HG2 VAL 111 -15.659 -16.709 18.946 752 2HG2 VAL 111 2HG2 VAL 111 -15.318 -16.678 17.217 753 3HG2 VAL 111 3HG2 VAL 111 -14.561 -17.896 18.243 754 H LYS 112 H LYS 112 -12.036 -15.130 21.130 755 HA LYS 112 HA LYS 112 -10.949 -12.469 20.260 756 1HB LYS 112 1HB LYS 112 -10.923 -13.790 22.997 757 2HB LYS 112 2HB LYS 112 -10.234 -12.212 22.615 758 1HG LYS 112 1HG LYS 112 -12.844 -12.081 21.626 759 2HG LYS 112 2HG LYS 112 -13.003 -12.929 23.163 760 1HD LYS 112 1HD LYS 112 -11.236 -10.935 23.817 761 2HD LYS 112 2HD LYS 112 -12.256 -10.124 22.630 762 1HE LYS 112 1HE LYS 112 -14.269 -10.997 23.940 763 2HE LYS 112 2HE LYS 112 -13.122 -11.463 25.211 764 1HZ LYS 112 1HZ LYS 112 -13.021 -8.769 24.005 765 2HZ LYS 112 2HZ LYS 112 -14.120 -9.096 25.259 766 3HZ LYS 112 3HZ LYS 112 -12.452 -9.278 25.521 767 H ILE 113 H ILE 113 -8.781 -12.509 19.681 768 HA ILE 113 HA ILE 113 -6.977 -14.627 20.617 769 HB ILE 113 HB ILE 113 -8.266 -15.715 18.817 770 1HG1 ILE 113 1HG1 ILE 113 -5.437 -14.971 18.010 771 2HG1 ILE 113 2HG1 ILE 113 -5.893 -16.307 19.068 772 1HG2 ILE 113 1HG2 ILE 113 -8.620 -13.371 17.692 773 2HG2 ILE 113 2HG2 ILE 113 -7.109 -13.745 16.863 774 3HG2 ILE 113 3HG2 ILE 113 -8.505 -14.806 16.674 775 1HD1 ILE 113 1HD1 ILE 113 -6.730 -15.995 16.168 776 2HD1 ILE 113 2HD1 ILE 113 -5.483 -17.093 16.759 777 3HD1 ILE 113 3HD1 ILE 113 -7.167 -17.338 17.225 778 H VAL 114 H VAL 114 -4.763 -14.192 20.028 779 HA VAL 114 HA VAL 114 -4.310 -11.360 19.175 780 HB VAL 114 HB VAL 114 -3.285 -13.178 21.229 781 1HG1 VAL 114 1HG1 VAL 114 -1.343 -11.874 19.339 782 2HG1 VAL 114 2HG1 VAL 114 -0.935 -12.028 21.047 783 3HG1 VAL 114 3HG1 VAL 114 -1.264 -13.470 20.087 784 1HG2 VAL 114 1HG2 VAL 114 -4.072 -10.498 20.932 785 2HG2 VAL 114 2HG2 VAL 114 -3.498 -11.275 22.408 786 3HG2 VAL 114 3HG2 VAL 114 -2.360 -10.435 21.353 787 H TYR 115 H TYR 115 -2.822 -10.966 17.468 788 HA TYR 115 HA TYR 115 -2.129 -13.373 15.847 789 1HB TYR 115 1HB TYR 115 -2.586 -12.052 14.022 790 2HB TYR 115 2HB TYR 115 -3.527 -11.156 15.209 791 HD1 TYR 115 HD1 TYR 115 -2.034 -9.371 16.611 792 HD2 TYR 115 HD2 TYR 115 -1.164 -10.833 12.665 793 HE1 TYR 115 HE1 TYR 115 -0.655 -7.360 16.171 794 HE2 TYR 115 HE2 TYR 115 0.218 -8.821 12.228 795 HH TYR 115 HH TYR 115 0.781 -6.391 14.763 796 H ASN 116 H ASN 116 0.003 -13.564 14.955 797 HA ASN 116 HA ASN 116 2.349 -13.225 14.831 798 1HB ASN 116 1HB ASN 116 1.256 -10.701 15.405 799 2HB ASN 116 2HB ASN 116 2.520 -10.929 16.610 800 2HD2 ASN 116 2HD2 ASN 116 4.154 -12.682 14.828 801 1HD2 ASN 116 1HD2 ASN 116 4.830 -11.656 13.657 802 H ALA 117 H ALA 117 1.608 -15.148 16.501 803 HA ALA 117 HA ALA 117 2.364 -14.640 19.289 804 1HB ALA 117 1HB ALA 117 1.885 -17.027 19.515 805 2HB ALA 117 2HB ALA 117 0.639 -16.281 18.515 806 3HB ALA 117 3HB ALA 117 1.924 -17.226 17.763 807 H LYS 118 H LYS 118 3.953 -15.791 16.375 808 HA LYS 118 HA LYS 118 6.113 -17.271 17.272 809 1HB LYS 118 1HB LYS 118 7.317 -16.277 15.366 810 2HB LYS 118 2HB LYS 118 5.634 -16.573 14.934 811 1HG LYS 118 1HG LYS 118 5.076 -14.234 15.326 812 2HG LYS 118 2HG LYS 118 6.709 -13.911 15.909 813 1HD LYS 118 1HD LYS 118 6.663 -15.181 13.264 814 2HD LYS 118 2HD LYS 118 5.860 -13.610 13.291 815 1HE LYS 118 1HE LYS 118 7.821 -12.490 14.001 816 2HE LYS 118 2HE LYS 118 8.578 -13.992 14.564 817 H HIS 119 H HIS 119 5.461 -13.884 17.885 818 HA HIS 119 HA HIS 119 8.067 -13.029 18.698 819 1HB HIS 119 1HB HIS 119 5.229 -12.242 19.412 820 2HB HIS 119 2HB HIS 119 6.630 -11.351 20.007 821 HD1 HIS 119 HD1 HIS 119 8.439 -11.072 17.692 822 HD2 HIS 119 HD2 HIS 119 4.300 -10.873 17.199 823 HE1 HIS 119 HE1 HIS 119 8.033 -9.832 15.520 824 H LEU 120 H LEU 120 5.720 -15.105 20.199 825 HA LEU 120 HA LEU 120 6.059 -14.878 22.928 826 1HB LEU 120 1HB LEU 120 5.386 -16.898 20.996 827 2HB LEU 120 2HB LEU 120 6.360 -17.633 22.267 828 HG LEU 120 HG LEU 120 4.231 -15.755 23.153 829 1HD1 LEU 120 1HD1 LEU 120 3.715 -18.115 21.477 830 2HD1 LEU 120 2HD1 LEU 120 2.864 -18.149 23.021 831 3HD1 LEU 120 3HD1 LEU 120 2.635 -16.792 21.917 832 1HD2 LEU 120 1HD2 LEU 120 5.944 -17.407 24.427 833 2HD2 LEU 120 2HD2 LEU 120 4.361 -16.990 25.085 834 3HD2 LEU 120 3HD2 LEU 120 4.584 -18.511 24.219 835 H ASP 121 H ASP 121 7.609 -15.684 24.462 836 HA ASP 121 HA ASP 121 10.379 -15.438 23.695 837 1HB ASP 121 1HB ASP 121 9.200 -14.998 25.938 838 2HB ASP 121 2HB ASP 121 9.256 -16.743 26.183 839 H TYR 122 H TYR 122 8.148 -18.108 23.778 840 HA TYR 122 HA TYR 122 10.141 -20.225 23.970 841 1HB TYR 122 1HB TYR 122 7.604 -20.194 24.521 842 2HB TYR 122 2HB TYR 122 7.370 -20.425 22.788 843 HD1 TYR 122 HD1 TYR 122 8.376 -22.431 21.653 844 HD2 TYR 122 HD2 TYR 122 8.341 -21.984 25.926 845 HE1 TYR 122 HE1 TYR 122 8.833 -24.854 21.910 846 HE2 TYR 122 HE2 TYR 122 8.799 -24.407 26.182 847 HH TYR 122 HH TYR 122 10.008 -26.295 23.938 848 H LEU 123 H LEU 123 8.756 -18.307 21.388 849 HA LEU 123 HA LEU 123 10.024 -20.084 19.341 850 1HB LEU 123 1HB LEU 123 7.740 -18.144 19.444 851 2HB LEU 123 2HB LEU 123 8.545 -18.409 17.897 852 HG LEU 123 HG LEU 123 7.954 -20.883 19.388 853 1HD1 LEU 123 1HD1 LEU 123 5.854 -18.867 18.822 854 2HD1 LEU 123 2HD1 LEU 123 5.494 -20.510 18.293 855 3HD1 LEU 123 3HD1 LEU 123 5.858 -20.190 19.988 856 1HD2 LEU 123 1HD2 LEU 123 8.708 -20.340 16.883 857 2HD2 LEU 123 2HD2 LEU 123 7.700 -21.738 17.257 858 3HD2 LEU 123 3HD2 LEU 123 6.962 -20.259 16.639 859 H GLN 124 H GLN 124 10.076 -16.858 20.733 860 HA GLN 124 HA GLN 124 11.599 -15.536 18.686 861 1HB GLN 124 1HB GLN 124 10.372 -14.323 20.382 862 2HB GLN 124 2HB GLN 124 11.266 -15.129 21.672 863 1HG GLN 124 1HG GLN 124 13.085 -13.774 21.429 864 2HG GLN 124 2HG GLN 124 12.939 -13.729 19.671 865 2HE2 GLN 124 2HE2 GLN 124 12.038 -11.844 18.779 866 1HE2 GLN 124 1HE2 GLN 124 11.242 -10.642 19.676 867 H ASN 125 H ASN 125 12.455 -17.930 21.010 868 HA ASN 125 HA ASN 125 15.221 -17.240 21.439 869 1HB ASN 125 1HB ASN 125 13.900 -18.772 22.848 870 2HB ASN 125 2HB ASN 125 13.735 -19.889 21.495 871 2HD2 ASN 125 2HD2 ASN 125 15.662 -19.160 24.203 872 1HD2 ASN 125 1HD2 ASN 125 17.031 -20.070 23.779 873 H ARG 126 H ARG 126 13.537 -18.526 18.722 874 HA ARG 126 HA ARG 126 15.926 -19.845 17.574 875 1HB ARG 126 1HB ARG 126 13.039 -19.862 17.271 876 2HB ARG 126 2HB ARG 126 13.827 -19.683 15.704 877 1HG ARG 126 1HG ARG 126 14.903 -21.718 17.620 878 2HG ARG 126 2HG ARG 126 13.419 -22.090 16.745 879 1HD ARG 126 1HD ARG 126 14.822 -21.228 14.656 880 2HD ARG 126 2HD ARG 126 16.195 -21.687 15.682 881 HE ARG 126 HE ARG 126 14.223 -23.526 14.524 882 1HH1 ARG 126 1HH1 ARG 126 14.390 -23.844 17.582 883 2HH1 ARG 126 2HH1 ARG 126 15.572 -25.103 17.707 884 1HH2 ARG 126 1HH2 ARG 126 16.668 -24.761 14.434 885 2HH2 ARG 126 2HH2 ARG 126 16.863 -25.623 15.925 886 H VAL 127 H VAL 127 14.575 -16.720 17.670 887 HA VAL 127 HA VAL 127 15.337 -15.869 14.978 888 HB VAL 127 HB VAL 127 14.409 -14.553 17.535 889 1HG1 VAL 127 1HG1 VAL 127 15.223 -13.223 14.934 890 2HG1 VAL 127 2HG1 VAL 127 14.294 -12.429 16.205 891 3HG1 VAL 127 3HG1 VAL 127 15.945 -12.963 16.522 892 1HG2 VAL 127 1HG2 VAL 127 13.249 -15.368 14.919 893 2HG2 VAL 127 2HG2 VAL 127 12.512 -15.357 16.521 894 3HG2 VAL 127 3HG2 VAL 127 12.657 -13.856 15.607 895 H ILE 128 H ILE 128 17.391 -15.298 14.381 896 HA ILE 128 HA ILE 128 19.470 -14.999 16.487 897 HB ILE 128 HB ILE 128 19.534 -15.305 13.468 898 1HG1 ILE 128 1HG1 ILE 128 20.799 -17.457 14.734 899 2HG1 ILE 128 2HG1 ILE 128 19.358 -17.157 15.705 900 1HG2 ILE 128 1HG2 ILE 128 21.680 -14.870 15.518 901 2HG2 ILE 128 2HG2 ILE 128 22.020 -15.906 14.131 902 3HG2 ILE 128 3HG2 ILE 128 21.553 -14.223 13.883 903 1HD1 ILE 128 1HD1 ILE 128 19.374 -17.466 12.688 904 2HD1 ILE 128 2HD1 ILE 128 18.927 -18.739 13.823 905 3HD1 ILE 128 3HD1 ILE 128 17.950 -17.274 13.709 No H/Q in entry = 905 Start of MODEL 15 1 H2 PRO 1 H2 PRO 1 -17.660 -15.736 10.869 2 H3 PRO 1 H3 PRO 1 -19.173 -16.513 10.925 3 HA PRO 1 HA PRO 1 -19.639 -15.373 12.761 4 1HB PRO 1 1HB PRO 1 -17.860 -16.208 14.662 5 2HB PRO 1 2HB PRO 1 -19.172 -17.234 14.052 6 1HG PRO 1 1HG PRO 1 -16.280 -17.213 13.327 7 2HG PRO 1 2HG PRO 1 -17.374 -18.585 13.557 8 1HD PRO 1 1HD PRO 1 -16.658 -17.635 11.108 9 2HD PRO 1 2HD PRO 1 -18.209 -18.438 11.427 10 H THR 2 H THR 2 -18.659 -13.867 14.551 11 HA THR 2 HA THR 2 -16.750 -12.031 13.212 12 HB THR 2 HB THR 2 -18.624 -11.911 15.583 13 HG1 THR 2 HG1 THR 2 -19.685 -11.466 13.761 14 1HG2 THR 2 1HG2 THR 2 -16.425 -10.014 14.779 15 2HG2 THR 2 2HG2 THR 2 -17.867 -9.433 15.611 16 3HG2 THR 2 3HG2 THR 2 -16.821 -10.622 16.386 17 H VAL 3 H VAL 3 -14.730 -11.498 14.125 18 HA VAL 3 HA VAL 3 -13.938 -12.882 16.653 19 HB VAL 3 HB VAL 3 -12.242 -12.870 14.147 20 1HG1 VAL 3 1HG1 VAL 3 -12.143 -14.099 16.859 21 2HG1 VAL 3 2HG1 VAL 3 -11.561 -15.082 15.516 22 3HG1 VAL 3 3HG1 VAL 3 -10.827 -13.512 15.844 23 1HG2 VAL 3 1HG2 VAL 3 -14.470 -14.709 14.970 24 2HG2 VAL 3 2HG2 VAL 3 -14.060 -14.109 13.364 25 3HG2 VAL 3 3HG2 VAL 3 -13.077 -15.368 14.112 26 H GLU 4 H GLU 4 -11.466 -12.084 17.055 27 HA GLU 4 HA GLU 4 -11.191 -9.211 16.301 28 1HB GLU 4 1HB GLU 4 -12.447 -9.897 18.576 29 2HB GLU 4 2HB GLU 4 -10.785 -9.989 19.157 30 1HG GLU 4 1HG GLU 4 -10.361 -7.706 18.579 31 2HG GLU 4 2HG GLU 4 -11.852 -7.595 17.644 32 H TYR 5 H TYR 5 -9.053 -8.735 15.885 33 HA TYR 5 HA TYR 5 -7.011 -10.785 16.654 34 1HB TYR 5 1HB TYR 5 -5.692 -9.471 14.852 35 2HB TYR 5 2HB TYR 5 -7.057 -10.442 14.306 36 HD1 TYR 5 HD1 TYR 5 -6.004 -6.988 15.213 37 HD2 TYR 5 HD2 TYR 5 -8.953 -9.439 13.280 38 HE1 TYR 5 HE1 TYR 5 -7.064 -4.959 14.257 39 HE2 TYR 5 HE2 TYR 5 -10.015 -7.412 12.325 40 HH TYR 5 HH TYR 5 -10.041 -5.185 12.318 41 H LEU 6 H LEU 6 -5.363 -10.229 18.036 42 HA LEU 6 HA LEU 6 -5.048 -7.332 18.747 43 1HB LEU 6 1HB LEU 6 -6.159 -9.320 20.306 44 2HB LEU 6 2HB LEU 6 -4.479 -9.324 20.840 45 HG LEU 6 HG LEU 6 -6.398 -6.982 20.811 46 1HD1 LEU 6 1HD1 LEU 6 -5.957 -8.878 22.730 47 2HD1 LEU 6 2HD1 LEU 6 -4.766 -7.658 23.181 48 3HD1 LEU 6 3HD1 LEU 6 -6.473 -7.228 23.076 49 1HD2 LEU 6 1HD2 LEU 6 -3.397 -7.096 21.022 50 2HD2 LEU 6 2HD2 LEU 6 -4.400 -5.970 20.107 51 3HD2 LEU 6 3HD2 LEU 6 -4.298 -5.835 21.863 52 H ASN 7 H ASN 7 -2.921 -6.651 18.726 53 HA ASN 7 HA ASN 7 -0.852 -8.407 17.714 54 1HB ASN 7 1HB ASN 7 -1.052 -5.987 17.241 55 2HB ASN 7 2HB ASN 7 -0.762 -5.636 18.944 56 2HD2 ASN 7 2HD2 ASN 7 1.143 -4.405 17.755 57 1HD2 ASN 7 1HD2 ASN 7 2.580 -5.289 17.565 58 H TYR 8 H TYR 8 0.220 -9.873 18.967 59 HA TYR 8 HA TYR 8 0.124 -10.048 21.797 60 1HB TYR 8 1HB TYR 8 0.750 -11.920 20.413 61 2HB TYR 8 2HB TYR 8 2.096 -11.022 19.709 62 HD1 TYR 8 HD1 TYR 8 3.951 -10.202 21.324 63 HD2 TYR 8 HD2 TYR 8 1.077 -13.229 22.341 64 HE1 TYR 8 HE1 TYR 8 5.431 -10.995 23.149 65 HE2 TYR 8 HE2 TYR 8 2.558 -14.022 24.165 66 HH TYR 8 HH TYR 8 5.785 -13.147 24.423 67 H GLU 9 H GLU 9 2.352 -8.326 19.649 68 HA GLU 9 HA GLU 9 4.399 -7.686 21.518 69 1HB GLU 9 1HB GLU 9 3.326 -6.680 18.939 70 2HB GLU 9 2HB GLU 9 4.299 -5.530 19.856 71 1HG GLU 9 1HG GLU 9 5.985 -7.492 20.105 72 2HG GLU 9 2HG GLU 9 5.097 -8.228 18.771 73 H THR 10 H THR 10 1.327 -6.050 20.758 74 HA THR 10 HA THR 10 1.657 -3.749 22.402 75 HB THR 10 HB THR 10 -0.673 -5.386 21.397 76 HG1 THR 10 HG1 THR 10 -0.069 -4.137 19.809 77 1HG2 THR 10 1HG2 THR 10 -0.698 -3.483 23.594 78 2HG2 THR 10 2HG2 THR 10 -1.693 -2.924 22.250 79 3HG2 THR 10 3HG2 THR 10 -2.005 -4.498 22.981 80 H LEU 11 H LEU 11 0.722 -7.066 23.169 81 HA LEU 11 HA LEU 11 -0.267 -6.623 25.827 82 1HB LEU 11 1HB LEU 11 -0.314 -8.675 24.196 83 2HB LEU 11 2HB LEU 11 1.243 -9.072 24.923 84 HG LEU 11 HG LEU 11 -0.387 -10.238 26.221 85 1HD1 LEU 11 1HD1 LEU 11 1.347 -8.809 27.459 86 2HD1 LEU 11 2HD1 LEU 11 0.033 -7.675 27.769 87 3HD1 LEU 11 3HD1 LEU 11 -0.056 -9.321 28.396 88 1HD2 LEU 11 1HD2 LEU 11 -2.165 -8.402 25.299 89 2HD2 LEU 11 2HD2 LEU 11 -2.506 -9.493 26.641 90 3HD2 LEU 11 3HD2 LEU 11 -1.971 -7.844 26.961 91 H ASP 12 H ASP 12 2.978 -7.492 24.601 92 HA ASP 12 HA ASP 12 4.191 -7.362 27.263 93 1HB ASP 12 1HB ASP 12 5.122 -7.715 24.412 94 2HB ASP 12 2HB ASP 12 6.283 -7.551 25.729 95 H ASP 13 H ASP 13 4.306 -5.362 24.294 96 HA ASP 13 HA ASP 13 6.082 -3.357 25.018 97 1HB ASP 13 1HB ASP 13 4.738 -3.634 22.895 98 2HB ASP 13 2HB ASP 13 3.358 -2.939 23.746 99 H GLN 14 H GLN 14 2.556 -3.237 25.681 100 HA GLN 14 HA GLN 14 2.836 -0.994 27.520 101 1HB GLN 14 1HB GLN 14 0.565 -2.949 27.022 102 2HB GLN 14 2HB GLN 14 0.419 -1.378 27.808 103 1HG GLN 14 1HG GLN 14 1.749 -1.273 25.184 104 2HG GLN 14 2HG GLN 14 0.075 -1.823 25.112 105 2HE2 GLN 14 2HE2 GLN 14 -1.529 -0.370 26.391 106 1HE2 GLN 14 1HE2 GLN 14 -1.235 1.303 26.374 107 H GLY 15 H GLY 15 3.073 -4.439 27.776 108 1HA GLY 15 1HA GLY 15 3.845 -4.298 30.556 109 2HA GLY 15 2HA GLY 15 3.621 -5.780 29.627 110 H TRP 16 H TRP 16 0.884 -5.271 28.860 111 HA TRP 16 HA TRP 16 -0.633 -4.925 31.371 112 1HB TRP 16 1HB TRP 16 -1.064 -4.891 28.477 113 2HB TRP 16 2HB TRP 16 -2.343 -5.753 29.334 114 HD1 TRP 16 HD1 TRP 16 -4.235 -4.030 29.466 115 HE1 TRP 16 HE1 TRP 16 -4.457 -1.639 30.405 116 HE3 TRP 16 HE3 TRP 16 0.659 -3.044 30.532 117 HZ2 TRP 16 HZ2 TRP 16 -2.778 0.420 31.469 118 HZ3 TRP 16 HZ3 TRP 16 1.320 -0.864 31.507 119 HH2 TRP 16 HH2 TRP 16 -0.391 0.868 31.975 120 H ASP 17 H ASP 17 -2.638 -6.722 31.250 121 HA ASP 17 HA ASP 17 -1.290 -9.267 31.894 122 1HB ASP 17 1HB ASP 17 -3.784 -7.840 32.479 123 2HB ASP 17 2HB ASP 17 -4.038 -9.564 32.199 124 H MET 18 H MET 18 -2.769 -11.276 31.169 125 HA MET 18 HA MET 18 -2.617 -11.361 28.252 126 1HB MET 18 1HB MET 18 -3.643 -13.341 30.314 127 2HB MET 18 2HB MET 18 -3.230 -13.719 28.641 128 1HG MET 18 1HG MET 18 -0.923 -13.311 29.003 129 2HG MET 18 2HG MET 18 -1.227 -12.446 30.510 130 1HE MET 18 1HE MET 18 0.481 -13.473 31.534 131 2HE MET 18 2HE MET 18 -0.610 -13.842 32.866 132 3HE MET 18 3HE MET 18 0.516 -15.071 32.274 133 H ASP 19 H ASP 19 -5.277 -11.777 30.632 134 HA ASP 19 HA ASP 19 -7.168 -10.739 28.563 135 1HB ASP 19 1HB ASP 19 -8.693 -12.660 29.354 136 2HB ASP 19 2HB ASP 19 -7.324 -13.105 28.334 137 H ASP 20 H ASP 20 -5.957 -10.310 31.570 138 HA ASP 20 HA ASP 20 -8.423 -9.971 33.109 139 1HB ASP 20 1HB ASP 20 -5.630 -8.917 33.638 140 2HB ASP 20 2HB ASP 20 -6.890 -9.242 34.829 141 H ASP 21 H ASP 21 -6.079 -7.796 31.509 142 HA ASP 21 HA ASP 21 -7.563 -5.385 32.242 143 1HB ASP 21 1HB ASP 21 -5.161 -6.150 30.619 144 2HB ASP 21 2HB ASP 21 -5.853 -4.544 30.390 145 H ASP 22 H ASP 22 -8.290 -7.801 30.117 146 HA ASP 22 HA ASP 22 -9.582 -7.922 28.138 147 1HB ASP 22 1HB ASP 22 -10.562 -5.564 29.737 148 2HB ASP 22 2HB ASP 22 -11.335 -5.974 28.207 149 H LEU 23 H LEU 23 -7.105 -6.957 27.501 150 HA LEU 23 HA LEU 23 -6.702 -4.435 26.421 151 1HB LEU 23 1HB LEU 23 -5.963 -7.224 25.552 152 2HB LEU 23 2HB LEU 23 -5.420 -5.832 24.615 153 HG LEU 23 HG LEU 23 -4.809 -5.016 27.147 154 1HD1 LEU 23 1HD1 LEU 23 -4.963 -7.983 27.111 155 2HD1 LEU 23 2HD1 LEU 23 -3.521 -7.289 27.853 156 3HD1 LEU 23 3HD1 LEU 23 -5.119 -6.864 28.466 157 1HD2 LEU 23 1HD2 LEU 23 -3.355 -5.034 25.110 158 2HD2 LEU 23 2HD2 LEU 23 -2.501 -5.548 26.566 159 3HD2 LEU 23 3HD2 LEU 23 -3.042 -6.746 25.391 160 H PHE 24 H PHE 24 -8.600 -7.087 24.999 161 HA PHE 24 HA PHE 24 -9.090 -5.976 22.435 162 1HB PHE 24 1HB PHE 24 -10.644 -7.766 24.312 163 2HB PHE 24 2HB PHE 24 -11.231 -7.394 22.691 164 HD1 PHE 24 HD1 PHE 24 -9.825 -7.991 20.690 165 HD2 PHE 24 HD2 PHE 24 -8.852 -9.306 24.662 166 HE1 PHE 24 HE1 PHE 24 -8.323 -9.726 19.746 167 HE2 PHE 24 HE2 PHE 24 -7.351 -11.041 23.720 168 HZ PHE 24 HZ PHE 24 -7.086 -11.251 21.263 169 H GLU 25 H GLU 25 -10.181 -4.953 25.546 170 HA GLU 25 HA GLU 25 -12.392 -3.336 24.343 171 1HB GLU 25 1HB GLU 25 -12.286 -4.965 26.541 172 2HB GLU 25 2HB GLU 25 -11.964 -3.391 27.270 173 1HG GLU 25 1HG GLU 25 -13.994 -2.471 26.295 174 2HG GLU 25 2HG GLU 25 -14.288 -3.968 25.410 175 H LYS 26 H LYS 26 -9.665 -3.016 26.656 176 HA LYS 26 HA LYS 26 -9.782 -0.136 26.784 177 1HB LYS 26 1HB LYS 26 -8.513 -2.215 28.088 178 2HB LYS 26 2HB LYS 26 -7.181 -1.443 27.227 179 1HG LYS 26 1HG LYS 26 -9.175 0.066 28.941 180 2HG LYS 26 2HG LYS 26 -7.610 -0.496 29.528 181 1HD LYS 26 1HD LYS 26 -7.920 1.271 27.087 182 2HD LYS 26 2HD LYS 26 -7.654 1.910 28.709 183 1HE LYS 26 1HE LYS 26 -5.783 -0.246 27.930 184 2HE LYS 26 2HE LYS 26 -5.624 1.251 26.993 185 1HZ LYS 26 1HZ LYS 26 -5.923 2.330 29.334 186 2HZ LYS 26 2HZ LYS 26 -5.364 0.828 29.895 187 3HZ LYS 26 3HZ LYS 26 -4.397 1.761 28.856 188 H ALA 27 H ALA 27 -8.264 -2.410 24.588 189 HA ALA 27 HA ALA 27 -6.265 -0.761 23.421 190 1HB ALA 27 1HB ALA 27 -8.029 -2.995 22.389 191 2HB ALA 27 2HB ALA 27 -6.706 -2.320 21.439 192 3HB ALA 27 3HB ALA 27 -6.370 -3.118 22.976 193 H ALA 28 H ALA 28 -9.752 -0.983 22.815 194 HA ALA 28 HA ALA 28 -9.866 0.586 20.429 195 1HB ALA 28 1HB ALA 28 -11.720 -0.102 22.699 196 2HB ALA 28 2HB ALA 28 -11.793 -0.623 21.017 197 3HB ALA 28 3HB ALA 28 -12.247 1.025 21.449 198 H ASP 29 H ASP 29 -9.339 1.464 23.758 199 HA ASP 29 HA ASP 29 -9.957 4.326 23.250 200 1HB ASP 29 1HB ASP 29 -10.011 2.509 25.444 201 2HB ASP 29 2HB ASP 29 -8.825 3.755 25.832 202 H ALA 30 H ALA 30 -7.298 2.176 23.131 203 HA ALA 30 HA ALA 30 -5.240 4.156 23.830 204 1HB ALA 30 1HB ALA 30 -5.396 1.476 23.968 205 2HB ALA 30 2HB ALA 30 -4.652 1.617 22.374 206 3HB ALA 30 3HB ALA 30 -3.852 2.310 23.785 207 H GLY 31 H GLY 31 -6.788 2.902 20.929 208 1HA GLY 31 1HA GLY 31 -5.538 5.041 19.346 209 2HA GLY 31 2HA GLY 31 -6.796 3.939 18.788 210 H LEU 32 H LEU 32 -5.678 1.469 19.236 211 HA LEU 32 HA LEU 32 -2.931 1.350 18.218 212 1HB LEU 32 1HB LEU 32 -5.104 -0.566 19.033 213 2HB LEU 32 2HB LEU 32 -3.690 -1.171 18.172 214 HG LEU 32 HG LEU 32 -2.993 0.673 20.338 215 1HD1 LEU 32 1HD1 LEU 32 -5.148 -0.820 21.008 216 2HD1 LEU 32 2HD1 LEU 32 -3.865 -1.974 21.369 217 3HD1 LEU 32 3HD1 LEU 32 -3.882 -0.398 22.160 218 1HD2 LEU 32 1HD2 LEU 32 -2.179 -2.004 19.268 219 2HD2 LEU 32 2HD2 LEU 32 -1.201 -0.560 19.531 220 3HD2 LEU 32 3HD2 LEU 32 -1.678 -1.564 20.900 221 H ASP 33 H ASP 33 -2.385 0.280 16.166 222 HA ASP 33 HA ASP 33 -4.045 1.142 13.949 223 1HB ASP 33 1HB ASP 33 -1.469 0.842 14.193 224 2HB ASP 33 2HB ASP 33 -1.784 -0.854 13.830 225 H GLY 34 H GLY 34 -5.395 -0.124 12.640 226 1HA GLY 34 1HA GLY 34 -6.691 -1.972 11.986 227 2HA GLY 34 2HA GLY 34 -6.733 -2.357 13.707 228 H GLU 35 H GLU 35 -3.622 -2.181 12.199 229 HA GLU 35 HA GLU 35 -3.461 -4.983 11.409 230 1HB GLU 35 1HB GLU 35 -1.523 -2.694 11.795 231 2HB GLU 35 2HB GLU 35 -0.977 -4.298 11.307 232 1HG GLU 35 1HG GLU 35 -2.888 -4.072 9.503 233 2HG GLU 35 2HG GLU 35 -2.700 -2.346 9.811 234 H ASP 36 H ASP 36 -3.689 -3.619 14.408 235 HA ASP 36 HA ASP 36 -2.044 -5.800 15.657 236 1HB ASP 36 1HB ASP 36 -2.489 -2.927 16.545 237 2HB ASP 36 2HB ASP 36 -1.603 -4.139 17.472 238 H TYR 37 H TYR 37 -4.679 -3.458 16.290 239 HA TYR 37 HA TYR 37 -6.152 -5.650 17.708 240 1HB TYR 37 1HB TYR 37 -5.354 -4.246 19.433 241 2HB TYR 37 2HB TYR 37 -5.578 -2.787 18.468 242 HD1 TYR 37 HD1 TYR 37 -7.589 -5.645 19.857 243 HD2 TYR 37 HD2 TYR 37 -7.451 -1.465 18.878 244 HE1 TYR 37 HE1 TYR 37 -9.862 -5.347 20.807 245 HE2 TYR 37 HE2 TYR 37 -9.722 -1.169 19.827 246 HH TYR 37 HH TYR 37 -11.204 -3.435 21.792 247 H GLY 38 H GLY 38 -8.251 -5.880 16.998 248 1HA GLY 38 1HA GLY 38 -9.188 -4.352 14.734 249 2HA GLY 38 2HA GLY 38 -10.037 -3.877 16.206 250 H THR 39 H THR 39 -11.935 -4.814 14.977 251 HA THR 39 HA THR 39 -12.380 -7.585 15.851 252 HB THR 39 HB THR 39 -14.153 -5.705 14.262 253 HG1 THR 39 HG1 THR 39 -14.923 -5.093 16.327 254 1HG2 THR 39 1HG2 THR 39 -14.454 -8.365 15.351 255 2HG2 THR 39 2HG2 THR 39 -15.602 -7.261 16.108 256 3HG2 THR 39 3HG2 THR 39 -15.577 -7.441 14.354 257 H MET 40 H MET 40 -12.464 -9.370 14.493 258 HA MET 40 HA MET 40 -11.718 -8.908 11.635 259 1HB MET 40 1HB MET 40 -10.529 -10.403 13.534 260 2HB MET 40 2HB MET 40 -11.671 -11.596 12.920 261 1HG MET 40 1HG MET 40 -10.798 -10.755 10.568 262 2HG MET 40 2HG MET 40 -9.395 -10.246 11.508 263 1HE MET 40 1HE MET 40 -7.722 -11.252 11.938 264 2HE MET 40 2HE MET 40 -7.954 -12.460 13.199 265 3HE MET 40 3HE MET 40 -7.258 -12.925 11.640 266 H GLU 41 H GLU 41 -13.012 -9.779 9.988 267 HA GLU 41 HA GLU 41 -15.645 -10.920 10.857 268 1HB GLU 41 1HB GLU 41 -14.696 -9.011 8.782 269 2HB GLU 41 2HB GLU 41 -16.014 -10.082 8.305 270 1HG GLU 41 1HG GLU 41 -17.046 -9.379 10.620 271 2HG GLU 41 2HG GLU 41 -15.955 -8.000 10.471 272 H VAL 42 H VAL 42 -15.248 -13.155 10.757 273 HA VAL 42 HA VAL 42 -14.129 -14.214 8.182 274 HB VAL 42 HB VAL 42 -14.274 -15.543 10.902 275 1HG1 VAL 42 1HG1 VAL 42 -13.021 -16.164 8.251 276 2HG1 VAL 42 2HG1 VAL 42 -12.206 -16.701 9.720 277 3HG1 VAL 42 3HG1 VAL 42 -13.848 -17.242 9.376 278 1HG2 VAL 42 1HG2 VAL 42 -12.615 -13.362 10.004 279 2HG2 VAL 42 2HG2 VAL 42 -12.627 -14.165 11.574 280 3HG2 VAL 42 3HG2 VAL 42 -11.619 -14.793 10.271 281 H ALA 43 H ALA 43 -15.562 -15.348 6.933 282 HA ALA 43 HA ALA 43 -18.304 -15.774 7.751 283 1HB ALA 43 1HB ALA 43 -16.747 -15.743 5.406 284 2HB ALA 43 2HB ALA 43 -18.490 -15.991 5.505 285 3HB ALA 43 3HB ALA 43 -17.401 -17.379 5.501 286 H GLU 44 H GLU 44 -19.189 -18.171 7.294 287 HA GLU 44 HA GLU 44 -18.057 -19.866 9.362 288 1HB GLU 44 1HB GLU 44 -20.262 -20.029 7.315 289 2HB GLU 44 2HB GLU 44 -19.842 -21.446 8.278 290 1HG GLU 44 1HG GLU 44 -20.180 -18.880 9.750 291 2HG GLU 44 2HG GLU 44 -21.643 -19.621 9.105 292 H GLY 45 H GLY 45 -16.285 -21.142 9.053 293 1HA GLY 45 1HA GLY 45 -16.056 -22.753 6.607 294 2HA GLY 45 2HA GLY 45 -15.005 -22.858 8.019 295 H GLU 46 H GLU 46 -14.969 -19.707 7.678 296 HA GLU 46 HA GLU 46 -13.208 -19.481 5.304 297 1HB GLU 46 1HB GLU 46 -14.938 -17.795 5.788 298 2HB GLU 46 2HB GLU 46 -14.210 -17.487 7.364 299 1HG GLU 46 1HG GLU 46 -13.261 -15.783 6.085 300 2HG GLU 46 2HG GLU 46 -12.036 -17.043 5.940 301 H TYR 47 H TYR 47 -11.127 -20.192 5.687 302 HA TYR 47 HA TYR 47 -9.753 -20.555 8.066 303 1HB TYR 47 1HB TYR 47 -8.818 -19.547 5.364 304 2HB TYR 47 2HB TYR 47 -7.711 -20.090 6.624 305 HD1 TYR 47 HD1 TYR 47 -8.302 -22.448 7.688 306 HD2 TYR 47 HD2 TYR 47 -9.607 -21.110 3.820 307 HE1 TYR 47 HE1 TYR 47 -8.664 -24.802 6.997 308 HE2 TYR 47 HE2 TYR 47 -9.969 -23.464 3.129 309 HH TYR 47 HH TYR 47 -8.951 -26.151 5.147 310 H ILE 48 H ILE 48 -8.920 -19.200 9.632 311 HA ILE 48 HA ILE 48 -9.571 -16.482 9.884 312 HB ILE 48 HB ILE 48 -7.242 -18.130 10.909 313 1HG1 ILE 48 1HG1 ILE 48 -9.909 -17.292 12.084 314 2HG1 ILE 48 2HG1 ILE 48 -9.427 -18.925 11.628 315 1HG2 ILE 48 1HG2 ILE 48 -8.154 -15.336 11.634 316 2HG2 ILE 48 2HG2 ILE 48 -7.158 -16.322 12.704 317 3HG2 ILE 48 3HG2 ILE 48 -6.546 -15.846 11.119 318 1HD1 ILE 48 1HD1 ILE 48 -7.428 -17.874 13.380 319 2HD1 ILE 48 2HD1 ILE 48 -9.003 -17.590 14.121 320 3HD1 ILE 48 3HD1 ILE 48 -8.523 -19.226 13.668 321 H LEU 49 H LEU 49 -6.339 -17.740 8.951 322 HA LEU 49 HA LEU 49 -5.030 -15.409 8.259 323 1HB LEU 49 1HB LEU 49 -3.852 -17.430 8.061 324 2HB LEU 49 2HB LEU 49 -5.128 -18.190 7.114 325 HG LEU 49 HG LEU 49 -2.946 -17.477 5.894 326 1HD1 LEU 49 1HD1 LEU 49 -5.586 -17.780 5.092 327 2HD1 LEU 49 2HD1 LEU 49 -5.114 -16.239 4.373 328 3HD1 LEU 49 3HD1 LEU 49 -4.188 -17.698 4.021 329 1HD2 LEU 49 1HD2 LEU 49 -3.674 -14.994 6.984 330 2HD2 LEU 49 2HD2 LEU 49 -2.427 -15.290 5.774 331 3HD2 LEU 49 3HD2 LEU 49 -4.063 -14.873 5.268 332 H GLU 50 H GLU 50 -7.441 -17.137 6.279 333 HA GLU 50 HA GLU 50 -7.236 -15.396 3.982 334 1HB GLU 50 1HB GLU 50 -8.474 -17.784 4.718 335 2HB GLU 50 2HB GLU 50 -9.822 -16.682 4.441 336 1HG GLU 50 1HG GLU 50 -9.536 -17.251 2.253 337 2HG GLU 50 2HG GLU 50 -8.208 -16.090 2.310 338 H ALA 51 H ALA 51 -9.505 -15.524 6.748 339 HA ALA 51 HA ALA 51 -11.181 -13.365 5.942 340 1HB ALA 51 1HB ALA 51 -10.417 -14.236 8.742 341 2HB ALA 51 2HB ALA 51 -11.579 -15.093 7.728 342 3HB ALA 51 3HB ALA 51 -11.917 -13.445 8.257 343 H ALA 52 H ALA 52 -8.321 -13.390 8.055 344 HA ALA 52 HA ALA 52 -8.342 -10.554 8.570 345 1HB ALA 52 1HB ALA 52 -7.045 -11.579 10.131 346 2HB ALA 52 2HB ALA 52 -5.757 -11.417 8.939 347 3HB ALA 52 3HB ALA 52 -6.666 -12.924 9.057 348 H GLU 53 H GLU 53 -6.319 -12.558 6.432 349 HA GLU 53 HA GLU 53 -4.829 -10.491 5.218 350 1HB GLU 53 1HB GLU 53 -4.390 -12.899 4.969 351 2HB GLU 53 2HB GLU 53 -5.898 -13.092 4.075 352 1HG GLU 53 1HG GLU 53 -4.214 -12.934 2.403 353 2HG GLU 53 2HG GLU 53 -4.959 -11.338 2.445 354 H ALA 54 H ALA 54 -8.030 -11.766 4.408 355 HA ALA 54 HA ALA 54 -8.378 -10.041 2.076 356 1HB ALA 54 1HB ALA 54 -9.440 -12.290 2.456 357 2HB ALA 54 2HB ALA 54 -10.395 -11.573 3.754 358 3HB ALA 54 3HB ALA 54 -10.615 -11.026 2.093 359 H GLN 55 H GLN 55 -8.579 -9.615 5.457 360 HA GLN 55 HA GLN 55 -10.570 -7.416 5.303 361 1HB GLN 55 1HB GLN 55 -9.474 -9.271 7.276 362 2HB GLN 55 2HB GLN 55 -9.519 -7.618 7.885 363 1HG GLN 55 1HG GLN 55 -11.924 -8.622 6.424 364 2HG GLN 55 2HG GLN 55 -11.647 -9.228 8.056 365 2HE2 GLN 55 2HE2 GLN 55 -12.252 -6.272 6.168 366 1HE2 GLN 55 1HE2 GLN 55 -12.680 -5.306 7.497 367 H GLY 56 H GLY 56 -7.107 -7.970 5.825 368 1HA GLY 56 1HA GLY 56 -6.716 -5.034 6.146 369 2HA GLY 56 2HA GLY 56 -5.851 -5.883 4.868 370 H TYR 57 H TYR 57 -6.121 -8.037 7.395 371 HA TYR 57 HA TYR 57 -3.726 -7.010 8.839 372 1HB TYR 57 1HB TYR 57 -5.116 -9.577 9.548 373 2HB TYR 57 2HB TYR 57 -4.435 -8.340 10.599 374 HD1 TYR 57 HD1 TYR 57 -5.666 -5.861 9.773 375 HD2 TYR 57 HD2 TYR 57 -7.384 -9.786 10.011 376 HE1 TYR 57 HE1 TYR 57 -7.919 -4.860 10.050 377 HE2 TYR 57 HE2 TYR 57 -9.631 -8.795 10.288 378 HH TYR 57 HH TYR 57 -10.147 -5.308 9.998 379 H ASP 58 H ASP 58 -1.817 -7.597 7.896 380 HA ASP 58 HA ASP 58 -1.636 -10.148 6.385 381 1HB ASP 58 1HB ASP 58 -0.561 -7.514 6.228 382 2HB ASP 58 2HB ASP 58 0.792 -8.616 6.481 383 H TRP 59 H TRP 59 -1.889 -11.023 8.859 384 HA TRP 59 HA TRP 59 0.246 -10.972 10.692 385 1HB TRP 59 1HB TRP 59 -1.512 -13.308 9.878 386 2HB TRP 59 2HB TRP 59 -0.694 -13.127 11.425 387 HD1 TRP 59 HD1 TRP 59 -3.960 -13.149 10.637 388 HE1 TRP 59 HE1 TRP 59 -5.388 -11.312 11.739 389 HE3 TRP 59 HE3 TRP 59 -0.317 -9.795 11.947 390 HZ2 TRP 59 HZ2 TRP 59 -5.068 -8.798 12.996 391 HZ3 TRP 59 HZ3 TRP 59 -0.925 -7.687 13.093 392 HH2 TRP 59 HH2 TRP 59 -3.297 -7.187 13.622 393 HA PRO 60 HA PRO 60 3.563 -13.138 8.822 394 1HB PRO 60 1HB PRO 60 4.461 -14.763 10.837 395 2HB PRO 60 2HB PRO 60 4.717 -13.007 10.816 396 1HG PRO 60 1HG PRO 60 2.671 -14.613 12.283 397 2HG PRO 60 2HG PRO 60 3.611 -13.219 12.833 398 1HD PRO 60 1HD PRO 60 1.026 -13.035 12.031 399 2HD PRO 60 2HD PRO 60 2.190 -11.708 11.835 400 H PHE 61 H PHE 61 4.073 -15.111 7.770 401 HA PHE 61 HA PHE 61 2.622 -17.589 8.416 402 1HB PHE 61 1HB PHE 61 2.005 -15.795 6.072 403 2HB PHE 61 2HB PHE 61 1.718 -17.531 5.965 404 HD1 PHE 61 HD1 PHE 61 0.458 -18.571 8.074 405 HD2 PHE 61 HD2 PHE 61 0.301 -14.445 6.893 406 HE1 PHE 61 HE1 PHE 61 -1.662 -18.293 9.331 407 HE2 PHE 61 HE2 PHE 61 -1.820 -14.166 8.149 408 HZ PHE 61 HZ PHE 61 -2.802 -16.091 9.367 409 H SER 62 H SER 62 3.657 -19.400 7.403 410 HA SER 62 HA SER 62 5.850 -18.792 5.476 411 1HB SER 62 1HB SER 62 6.994 -20.608 7.211 412 2HB SER 62 2HB SER 62 7.260 -18.866 7.257 413 HG SER 62 HG SER 62 5.642 -20.477 8.855 414 H CYS 63 H CYS 63 4.569 -21.563 7.375 415 HA CYS 63 HA CYS 63 5.007 -23.357 5.103 416 1HB CYS 63 1HB CYS 63 4.749 -25.009 6.708 417 2HB CYS 63 2HB CYS 63 5.203 -23.653 7.732 418 H ARG 64 H ARG 64 2.169 -21.920 6.719 419 HA ARG 64 HA ARG 64 -0.070 -21.726 5.981 420 1HB ARG 64 1HB ARG 64 1.225 -22.300 3.302 421 2HB ARG 64 2HB ARG 64 -0.262 -21.396 3.587 422 1HG ARG 64 1HG ARG 64 1.217 -19.853 5.063 423 2HG ARG 64 2HG ARG 64 2.576 -20.603 4.227 424 1HD ARG 64 1HD ARG 64 0.395 -19.714 2.437 425 2HD ARG 64 2HD ARG 64 1.244 -18.405 3.281 426 HE ARG 64 HE ARG 64 3.379 -19.390 2.407 427 1HH1 ARG 64 1HH1 ARG 64 1.942 -22.002 1.587 428 2HH1 ARG 64 2HH1 ARG 64 1.944 -21.832 -0.137 429 1HH2 ARG 64 1HH2 ARG 64 2.716 -18.451 -0.067 430 2HH2 ARG 64 2HH2 ARG 64 2.384 -19.821 -1.073 431 H ALA 65 H ALA 65 0.955 -24.459 6.674 432 HA ALA 65 HA ALA 65 -1.142 -26.033 5.268 433 1HB ALA 65 1HB ALA 65 1.360 -27.454 5.926 434 2HB ALA 65 2HB ALA 65 0.396 -27.506 4.450 435 3HB ALA 65 3HB ALA 65 1.544 -26.192 4.708 436 H GLY 66 H GLY 66 0.003 -24.919 8.176 437 1HA GLY 66 1HA GLY 66 -1.520 -26.922 9.670 438 2HA GLY 66 2HA GLY 66 -0.748 -25.492 10.348 439 H ALA 67 H ALA 67 1.910 -26.015 9.342 440 HA ALA 67 HA ALA 67 2.597 -28.429 10.982 441 1HB ALA 67 1HB ALA 67 2.746 -28.214 8.264 442 2HB ALA 67 2HB ALA 67 3.772 -29.280 9.225 443 3HB ALA 67 3HB ALA 67 4.366 -27.695 8.731 444 H CYS 68 H CYS 68 2.818 -25.179 11.092 445 HA CYS 68 HA CYS 68 5.401 -25.308 12.554 446 1HB CYS 68 1HB CYS 68 6.495 -23.792 11.185 447 2HB CYS 68 2HB CYS 68 5.473 -24.585 9.993 448 H ALA 69 H ALA 69 5.711 -22.747 13.395 449 HA ALA 69 HA ALA 69 3.049 -22.058 14.608 450 1HB ALA 69 1HB ALA 69 5.568 -22.877 15.735 451 2HB ALA 69 2HB ALA 69 4.043 -22.567 16.564 452 3HB ALA 69 3HB ALA 69 5.182 -21.249 16.292 453 H ASN 70 H ASN 70 5.092 -20.897 12.384 454 HA ASN 70 HA ASN 70 5.859 -18.289 13.166 455 1HB ASN 70 1HB ASN 70 4.933 -19.451 10.521 456 2HB ASN 70 2HB ASN 70 5.723 -17.882 10.676 457 2HD2 ASN 70 2HD2 ASN 70 7.969 -17.940 10.499 458 1HD2 ASN 70 1HD2 ASN 70 8.932 -19.314 10.756 459 H CYS 71 H CYS 71 2.715 -19.565 12.200 460 HA CYS 71 HA CYS 71 1.540 -16.823 12.226 461 1HB CYS 71 1HB CYS 71 -0.236 -17.816 10.989 462 2HB CYS 71 2HB CYS 71 1.219 -18.600 10.376 463 H ALA 72 H ALA 72 2.057 -19.419 14.306 464 HA ALA 72 HA ALA 72 -0.177 -20.004 15.766 465 1HB ALA 72 1HB ALA 72 2.372 -18.993 17.044 466 2HB ALA 72 2HB ALA 72 2.291 -20.530 16.182 467 3HB ALA 72 3HB ALA 72 1.308 -20.275 17.624 468 H SER 73 H SER 73 -1.347 -19.022 17.501 469 HA SER 73 HA SER 73 -0.944 -16.100 17.961 470 1HB SER 73 1HB SER 73 -3.248 -17.540 16.706 471 2HB SER 73 2HB SER 73 -3.607 -16.160 17.744 472 HG SER 73 HG SER 73 -1.675 -16.054 15.687 473 H ILE 74 H ILE 74 -3.238 -15.740 19.518 474 HA ILE 74 HA ILE 74 -3.116 -17.831 21.636 475 HB ILE 74 HB ILE 74 -2.699 -14.849 22.030 476 1HG1 ILE 74 1HG1 ILE 74 -0.780 -16.089 20.966 477 2HG1 ILE 74 2HG1 ILE 74 -0.400 -15.401 22.543 478 1HG2 ILE 74 1HG2 ILE 74 -3.051 -17.188 23.866 479 2HG2 ILE 74 2HG2 ILE 74 -1.943 -15.904 24.347 480 3HG2 ILE 74 3HG2 ILE 74 -3.639 -15.534 24.038 481 1HD1 ILE 74 1HD1 ILE 74 -1.215 -18.280 22.030 482 2HD1 ILE 74 2HD1 ILE 74 0.424 -17.725 22.372 483 3HD1 ILE 74 3HD1 ILE 74 -0.829 -17.587 23.605 484 H VAL 75 H VAL 75 -5.326 -18.067 20.447 485 HA VAL 75 HA VAL 75 -7.429 -16.293 20.350 486 HB VAL 75 HB VAL 75 -7.424 -18.726 19.769 487 1HG1 VAL 75 1HG1 VAL 75 -6.380 -19.313 22.056 488 2HG1 VAL 75 2HG1 VAL 75 -8.025 -19.222 22.686 489 3HG1 VAL 75 3HG1 VAL 75 -7.623 -20.398 21.435 490 1HG2 VAL 75 1HG2 VAL 75 -9.541 -17.149 20.728 491 2HG2 VAL 75 2HG2 VAL 75 -9.676 -18.606 19.744 492 3HG2 VAL 75 3HG2 VAL 75 -9.755 -18.720 21.502 493 H LYS 76 H LYS 76 -8.081 -14.808 21.881 494 HA LYS 76 HA LYS 76 -7.606 -15.305 24.744 495 1HB LYS 76 1HB LYS 76 -7.207 -13.115 23.713 496 2HB LYS 76 2HB LYS 76 -8.888 -13.037 23.186 497 1HG LYS 76 1HG LYS 76 -8.665 -13.591 26.044 498 2HG LYS 76 2HG LYS 76 -7.880 -12.075 25.603 499 1HD LYS 76 1HD LYS 76 -10.048 -11.613 24.239 500 2HD LYS 76 2HD LYS 76 -10.760 -12.882 25.235 501 1HE LYS 76 1HE LYS 76 -9.925 -11.599 27.273 502 2HE LYS 76 2HE LYS 76 -9.540 -10.265 26.169 503 1HZ LYS 76 1HZ LYS 76 -12.186 -11.613 26.225 504 2HZ LYS 76 2HZ LYS 76 -11.849 -10.226 27.145 505 3HZ LYS 76 3HZ LYS 76 -11.779 -10.158 25.450 506 H GLU 77 H GLU 77 -10.074 -16.090 22.573 507 HA GLU 77 HA GLU 77 -11.834 -17.148 24.534 508 1HB GLU 77 1HB GLU 77 -11.829 -14.316 24.358 509 2HB GLU 77 2HB GLU 77 -13.349 -14.861 23.649 510 1HG GLU 77 1HG GLU 77 -12.290 -15.763 26.345 511 2HG GLU 77 2HG GLU 77 -13.505 -14.504 26.119 512 H GLY 78 H GLY 78 -14.053 -17.628 23.557 513 1HA GLY 78 1HA GLY 78 -14.189 -17.397 20.613 514 2HA GLY 78 2HA GLY 78 -15.474 -17.995 21.663 515 H GLU 79 H GLU 79 -14.274 -19.242 19.236 516 HA GLU 79 HA GLU 79 -12.731 -21.545 20.210 517 1HB GLU 79 1HB GLU 79 -15.038 -22.014 20.970 518 2HB GLU 79 2HB GLU 79 -15.622 -21.813 19.319 519 1HG GLU 79 1HG GLU 79 -14.965 -23.897 18.733 520 2HG GLU 79 2HG GLU 79 -13.383 -23.686 19.484 521 H ILE 80 H ILE 80 -11.664 -22.514 18.478 522 HA ILE 80 HA ILE 80 -12.512 -21.687 15.720 523 HB ILE 80 HB ILE 80 -9.740 -21.938 16.933 524 1HG1 ILE 80 1HG1 ILE 80 -11.277 -19.528 15.917 525 2HG1 ILE 80 2HG1 ILE 80 -11.000 -19.915 17.615 526 1HG2 ILE 80 1HG2 ILE 80 -10.243 -22.522 14.387 527 2HG2 ILE 80 2HG2 ILE 80 -10.279 -20.766 14.232 528 3HG2 ILE 80 3HG2 ILE 80 -8.829 -21.568 14.834 529 1HD1 ILE 80 1HD1 ILE 80 -8.499 -19.921 17.039 530 2HD1 ILE 80 2HD1 ILE 80 -8.959 -19.157 15.517 531 3HD1 ILE 80 3HD1 ILE 80 -9.298 -18.348 17.049 532 H ASP 81 H ASP 81 -12.147 -23.283 14.076 533 HA ASP 81 HA ASP 81 -11.740 -26.053 15.137 534 1HB ASP 81 1HB ASP 81 -13.588 -24.742 13.324 535 2HB ASP 81 2HB ASP 81 -12.797 -26.100 12.527 536 H MET 82 H MET 82 -10.416 -27.513 13.860 537 HA MET 82 HA MET 82 -8.800 -26.358 11.660 538 1HB MET 82 1HB MET 82 -6.703 -26.886 12.884 539 2HB MET 82 2HB MET 82 -7.673 -25.694 13.748 540 1HG MET 82 1HG MET 82 -7.954 -27.074 15.515 541 2HG MET 82 2HG MET 82 -8.395 -28.427 14.474 542 1HE MET 82 1HE MET 82 -7.016 -28.627 17.077 543 2HE MET 82 2HE MET 82 -6.987 -30.156 16.200 544 3HE MET 82 3HE MET 82 -5.507 -29.539 16.932 545 H ASP 83 H ASP 83 -6.917 -28.291 11.366 546 HA ASP 83 HA ASP 83 -8.549 -30.734 10.850 547 1HB ASP 83 1HB ASP 83 -5.890 -29.714 9.803 548 2HB ASP 83 2HB ASP 83 -6.656 -31.213 9.277 549 H MET 84 H MET 84 -7.204 -32.838 11.036 550 HA MET 84 HA MET 84 -6.251 -33.127 13.752 551 1HB MET 84 1HB MET 84 -6.257 -34.864 11.271 552 2HB MET 84 2HB MET 84 -5.678 -35.444 12.833 553 1HG MET 84 1HG MET 84 -7.782 -35.542 13.721 554 2HG MET 84 2HG MET 84 -8.319 -34.095 12.865 555 1HE MET 84 1HE MET 84 -9.866 -36.252 13.547 556 2HE MET 84 2HE MET 84 -10.803 -36.757 12.143 557 3HE MET 84 3HE MET 84 -9.577 -37.833 12.810 558 H GLN 85 H GLN 85 -4.228 -32.576 14.451 559 HA GLN 85 HA GLN 85 -1.857 -33.220 12.840 560 1HB GLN 85 1HB GLN 85 -3.142 -30.602 12.849 561 2HB GLN 85 2HB GLN 85 -1.468 -30.504 13.397 562 1HG GLN 85 1HG GLN 85 -2.278 -32.005 10.897 563 2HG GLN 85 2HG GLN 85 -1.821 -30.302 10.876 564 2HE2 GLN 85 2HE2 GLN 85 0.416 -29.824 11.877 565 1HE2 GLN 85 1HE2 GLN 85 1.634 -30.986 11.664 566 H GLN 86 H GLN 86 0.171 -32.545 14.090 567 HA GLN 86 HA GLN 86 -0.386 -32.565 17.042 568 1HB GLN 86 1HB GLN 86 1.603 -33.979 17.219 569 2HB GLN 86 2HB GLN 86 0.498 -34.679 16.037 570 1HG GLN 86 1HG GLN 86 1.828 -33.388 14.260 571 2HG GLN 86 2HG GLN 86 3.034 -33.114 15.517 572 2HE2 GLN 86 2HE2 GLN 86 1.139 -35.865 14.134 573 1HE2 GLN 86 1HE2 GLN 86 2.416 -36.980 14.226 574 H ILE 87 H ILE 87 -0.030 -30.164 15.414 575 HA ILE 87 HA ILE 87 2.694 -29.196 15.631 576 HB ILE 87 HB ILE 87 0.961 -28.396 14.031 577 1HG1 ILE 87 1HG1 ILE 87 1.337 -25.927 14.447 578 2HG1 ILE 87 2HG1 ILE 87 2.095 -26.371 15.977 579 1HG2 ILE 87 1HG2 ILE 87 -0.633 -28.318 16.331 580 2HG2 ILE 87 2HG2 ILE 87 -0.379 -26.623 15.911 581 3HG2 ILE 87 3HG2 ILE 87 -1.080 -27.729 14.730 582 1HD1 ILE 87 1HD1 ILE 87 3.654 -27.869 14.660 583 2HD1 ILE 87 2HD1 ILE 87 2.989 -27.155 13.190 584 3HD1 ILE 87 3HD1 ILE 87 3.857 -26.146 14.346 585 H LEU 88 H LEU 88 -0.028 -29.348 17.816 586 HA LEU 88 HA LEU 88 1.638 -28.104 19.943 587 1HB LEU 88 1HB LEU 88 -0.340 -26.642 20.521 588 2HB LEU 88 2HB LEU 88 0.400 -26.255 18.967 589 HG LEU 88 HG LEU 88 -1.358 -27.996 18.044 590 1HD1 LEU 88 1HD1 LEU 88 -2.003 -28.043 20.749 591 2HD1 LEU 88 2HD1 LEU 88 -3.230 -26.984 20.053 592 3HD1 LEU 88 3HD1 LEU 88 -3.027 -28.623 19.435 593 1HD2 LEU 88 1HD2 LEU 88 -1.263 -25.574 17.501 594 2HD2 LEU 88 2HD2 LEU 88 -2.925 -26.141 17.668 595 3HD2 LEU 88 3HD2 LEU 88 -2.171 -25.223 18.972 596 H SER 89 H SER 89 0.309 -28.286 22.110 597 HA SER 89 HA SER 89 -1.015 -30.978 22.130 598 1HB SER 89 1HB SER 89 1.201 -29.939 23.478 599 2HB SER 89 2HB SER 89 -0.087 -29.904 24.682 600 HG SER 89 HG SER 89 1.152 -31.920 24.468 601 H ASP 90 H ASP 90 -2.844 -31.235 23.594 602 HA ASP 90 HA ASP 90 -4.861 -29.310 23.489 603 1HB ASP 90 1HB ASP 90 -4.841 -31.786 24.227 604 2HB ASP 90 2HB ASP 90 -4.442 -31.172 25.831 605 H GLU 91 H GLU 91 -2.453 -29.765 26.079 606 HA GLU 91 HA GLU 91 -3.396 -27.796 27.894 607 1HB GLU 91 1HB GLU 91 -0.719 -28.986 27.183 608 2HB GLU 91 2HB GLU 91 -0.828 -27.729 28.415 609 1HG GLU 91 1HG GLU 91 -2.441 -29.082 29.679 610 2HG GLU 91 2HG GLU 91 -2.395 -30.327 28.431 611 H GLU 92 H GLU 92 -1.701 -27.485 24.848 612 HA GLU 92 HA GLU 92 -0.757 -24.769 25.230 613 1HB GLU 92 1HB GLU 92 -0.547 -26.888 23.375 614 2HB GLU 92 2HB GLU 92 -1.251 -25.541 22.480 615 1HG GLU 92 1HG GLU 92 1.136 -25.301 22.320 616 2HG GLU 92 2HG GLU 92 0.581 -24.079 23.464 617 H VAL 93 H VAL 93 -3.667 -26.227 23.789 618 HA VAL 93 HA VAL 93 -4.731 -23.679 22.850 619 HB VAL 93 HB VAL 93 -5.101 -26.119 22.017 620 1HG1 VAL 93 1HG1 VAL 93 -6.076 -26.438 24.584 621 2HG1 VAL 93 2HG1 VAL 93 -7.548 -26.253 23.632 622 3HG1 VAL 93 3HG1 VAL 93 -6.394 -27.527 23.233 623 1HG2 VAL 93 1HG2 VAL 93 -6.282 -24.089 21.169 624 2HG2 VAL 93 2HG2 VAL 93 -7.304 -25.526 21.149 625 3HG2 VAL 93 3HG2 VAL 93 -7.508 -24.317 22.416 626 H GLU 94 H GLU 94 -4.761 -25.407 25.858 627 HA GLU 94 HA GLU 94 -7.068 -23.789 26.857 628 1HB GLU 94 1HB GLU 94 -7.139 -26.235 27.116 629 2HB GLU 94 2HB GLU 94 -5.591 -26.203 27.960 630 1HG GLU 94 1HG GLU 94 -6.927 -26.123 29.816 631 2HG GLU 94 2HG GLU 94 -6.968 -24.400 29.443 632 H GLU 95 H GLU 95 -3.608 -24.339 27.285 633 HA GLU 95 HA GLU 95 -3.566 -22.498 29.632 634 1HB GLU 95 1HB GLU 95 -2.438 -24.761 29.606 635 2HB GLU 95 2HB GLU 95 -1.344 -24.132 28.374 636 1HG GLU 95 1HG GLU 95 -0.079 -23.191 29.980 637 2HG GLU 95 2HG GLU 95 -1.461 -22.229 30.504 638 H LYS 96 H LYS 96 -2.369 -22.796 26.300 639 HA LYS 96 HA LYS 96 -1.212 -20.039 26.537 640 1HB LYS 96 1HB LYS 96 -0.644 -22.434 24.776 641 2HB LYS 96 2HB LYS 96 0.026 -20.839 24.436 642 1HG LYS 96 1HG LYS 96 0.332 -21.754 27.234 643 2HG LYS 96 2HG LYS 96 1.236 -22.686 26.042 644 1HD LYS 96 1HD LYS 96 2.778 -21.046 25.996 645 2HD LYS 96 2HD LYS 96 1.556 -19.965 25.330 646 1HE LYS 96 1HE LYS 96 0.819 -19.841 27.913 647 2HE LYS 96 2HE LYS 96 2.539 -20.211 28.142 648 1HZ LYS 96 1HZ LYS 96 1.944 -18.289 26.050 649 2HZ LYS 96 2HZ LYS 96 1.590 -17.752 27.622 650 3HZ LYS 96 3HZ LYS 96 3.163 -18.261 27.232 651 H ASP 97 H ASP 97 -3.786 -21.835 25.165 652 HA ASP 97 HA ASP 97 -5.477 -21.233 23.623 653 1HB ASP 97 1HB ASP 97 -4.556 -18.393 23.661 654 2HB ASP 97 2HB ASP 97 -6.176 -19.051 23.896 655 H VAL 98 H VAL 98 -2.799 -21.947 22.568 656 HA VAL 98 HA VAL 98 -2.430 -20.089 20.295 657 HB VAL 98 HB VAL 98 -0.363 -21.212 20.007 658 1HG1 VAL 98 1HG1 VAL 98 -0.982 -20.154 22.416 659 2HG1 VAL 98 2HG1 VAL 98 -0.571 -21.796 22.911 660 3HG1 VAL 98 3HG1 VAL 98 0.610 -20.815 22.043 661 1HG2 VAL 98 1HG2 VAL 98 -1.601 -23.494 21.572 662 2HG2 VAL 98 2HG2 VAL 98 -1.200 -23.492 19.855 663 3HG2 VAL 98 3HG2 VAL 98 0.086 -23.436 21.060 664 H ARG 99 H ARG 99 -2.374 -20.923 18.086 665 HA ARG 99 HA ARG 99 -3.411 -23.533 17.387 666 1HB ARG 99 1HB ARG 99 -5.256 -21.519 18.201 667 2HB ARG 99 2HB ARG 99 -5.439 -21.711 16.457 668 1HG ARG 99 1HG ARG 99 -5.513 -24.231 16.882 669 2HG ARG 99 2HG ARG 99 -5.678 -23.841 18.593 670 1HD ARG 99 1HD ARG 99 -7.515 -22.545 16.583 671 2HD ARG 99 2HD ARG 99 -7.860 -24.176 17.188 672 HE ARG 99 HE ARG 99 -7.449 -21.817 18.999 673 1HH1 ARG 99 1HH1 ARG 99 -7.803 -25.064 19.285 674 2HH1 ARG 99 2HH1 ARG 99 -9.288 -25.040 20.177 675 1HH2 ARG 99 1HH2 ARG 99 -9.855 -21.659 19.658 676 2HH2 ARG 99 2HH2 ARG 99 -10.449 -23.114 20.386 677 H LEU 100 H LEU 100 -3.875 -23.569 14.934 678 HA LEU 100 HA LEU 100 -1.926 -21.769 13.595 679 1HB LEU 100 1HB LEU 100 -3.446 -24.218 12.643 680 2HB LEU 100 2HB LEU 100 -2.107 -23.443 11.798 681 HG LEU 100 HG LEU 100 -2.046 -24.938 14.427 682 1HD1 LEU 100 1HD1 LEU 100 -1.709 -26.005 12.080 683 2HD1 LEU 100 2HD1 LEU 100 -0.159 -25.165 12.088 684 3HD1 LEU 100 3HD1 LEU 100 -0.518 -26.362 13.332 685 1HD2 LEU 100 1HD2 LEU 100 -0.079 -22.931 13.310 686 2HD2 LEU 100 2HD2 LEU 100 -0.772 -22.991 14.931 687 3HD2 LEU 100 3HD2 LEU 100 0.418 -24.194 14.436 688 H THR 101 H THR 101 -2.762 -19.911 12.759 689 HA THR 101 HA THR 101 -5.602 -19.585 12.180 690 HB THR 101 HB THR 101 -4.746 -17.328 11.415 691 HG1 THR 101 HG1 THR 101 -2.623 -16.966 11.409 692 1HG2 THR 101 1HG2 THR 101 -5.041 -18.326 13.939 693 2HG2 THR 101 2HG2 THR 101 -3.374 -17.752 13.995 694 3HG2 THR 101 3HG2 THR 101 -4.677 -16.637 13.580 695 H CYS 102 H CYS 102 -2.746 -20.436 10.331 696 HA CYS 102 HA CYS 102 -3.768 -19.718 7.730 697 1HB CYS 102 1HB CYS 102 -1.898 -21.243 6.997 698 2HB CYS 102 2HB CYS 102 -1.399 -20.021 8.166 699 H ILE 103 H ILE 103 -4.060 -22.642 9.745 700 HA ILE 103 HA ILE 103 -5.894 -23.774 7.645 701 HB ILE 103 HB ILE 103 -4.597 -25.543 9.682 702 1HG1 ILE 103 1HG1 ILE 103 -2.663 -24.289 9.053 703 2HG1 ILE 103 2HG1 ILE 103 -2.611 -25.781 8.127 704 1HG2 ILE 103 1HG2 ILE 103 -6.246 -26.149 7.759 705 2HG2 ILE 103 2HG2 ILE 103 -4.835 -25.984 6.715 706 3HG2 ILE 103 3HG2 ILE 103 -4.833 -27.174 8.016 707 1HD1 ILE 103 1HD1 ILE 103 -4.121 -23.739 6.715 708 2HD1 ILE 103 2HD1 ILE 103 -2.492 -23.178 7.086 709 3HD1 ILE 103 3HD1 ILE 103 -2.724 -24.667 6.172 710 H GLY 104 H GLY 104 -6.438 -21.994 10.062 711 1HA GLY 104 1HA GLY 104 -7.455 -22.617 12.317 712 2HA GLY 104 2HA GLY 104 -8.323 -23.870 11.434 713 H SER 105 H SER 105 -10.413 -23.141 11.701 714 HA SER 105 HA SER 105 -11.035 -20.379 10.700 715 1HB SER 105 1HB SER 105 -12.538 -22.992 10.315 716 2HB SER 105 2HB SER 105 -13.073 -21.419 9.723 717 HG SER 105 HG SER 105 -11.904 -22.727 8.174 718 HA PRO 106 HA PRO 106 -13.031 -19.994 14.612 719 1HB PRO 106 1HB PRO 106 -14.650 -17.863 14.044 720 2HB PRO 106 2HB PRO 106 -12.903 -17.711 14.306 721 1HG PRO 106 1HG PRO 106 -14.446 -17.768 11.759 722 2HG PRO 106 2HG PRO 106 -13.034 -16.799 12.197 723 1HD PRO 106 1HD PRO 106 -12.921 -19.046 10.636 724 2HD PRO 106 2HD PRO 106 -11.566 -18.462 11.625 725 H ALA 107 H ALA 107 -14.782 -21.066 15.461 726 HA ALA 107 HA ALA 107 -17.066 -21.692 13.626 727 1HB ALA 107 1HB ALA 107 -17.275 -23.719 14.907 728 2HB ALA 107 2HB ALA 107 -16.215 -23.099 16.173 729 3HB ALA 107 3HB ALA 107 -15.553 -23.509 14.590 730 H ALA 108 H ALA 108 -16.152 -20.303 16.714 731 HA ALA 108 HA ALA 108 -18.875 -20.194 17.782 732 1HB ALA 108 1HB ALA 108 -16.270 -19.987 18.730 733 2HB ALA 108 2HB ALA 108 -16.875 -18.335 18.856 734 3HB ALA 108 3HB ALA 108 -17.726 -19.650 19.667 735 H ASP 109 H ASP 109 -20.185 -18.290 17.897 736 HA ASP 109 HA ASP 109 -20.218 -16.559 15.655 737 1HB ASP 109 1HB ASP 109 -21.896 -15.353 16.957 738 2HB ASP 109 2HB ASP 109 -22.081 -17.082 17.246 739 H GLU 110 H GLU 110 -18.893 -16.004 18.931 740 HA GLU 110 HA GLU 110 -17.435 -13.624 17.822 741 1HB GLU 110 1HB GLU 110 -18.987 -14.138 20.323 742 2HB GLU 110 2HB GLU 110 -17.581 -13.079 20.442 743 1HG GLU 110 1HG GLU 110 -18.485 -11.495 18.981 744 2HG GLU 110 2HG GLU 110 -19.572 -12.663 18.228 745 H VAL 111 H VAL 111 -15.221 -13.768 18.000 746 HA VAL 111 HA VAL 111 -14.066 -15.567 20.086 747 HB VAL 111 HB VAL 111 -13.272 -15.571 17.162 748 1HG1 VAL 111 1HG1 VAL 111 -11.710 -16.336 19.118 749 2HG1 VAL 111 2HG1 VAL 111 -12.776 -17.740 19.188 750 3HG1 VAL 111 3HG1 VAL 111 -11.886 -17.380 17.708 751 1HG2 VAL 111 1HG2 VAL 111 -15.271 -17.226 18.697 752 2HG2 VAL 111 2HG2 VAL 111 -15.456 -16.457 17.120 753 3HG2 VAL 111 3HG2 VAL 111 -14.441 -17.889 17.289 754 H LYS 112 H LYS 112 -11.945 -14.972 20.718 755 HA LYS 112 HA LYS 112 -10.886 -12.420 19.547 756 1HB LYS 112 1HB LYS 112 -11.151 -13.352 22.423 757 2HB LYS 112 2HB LYS 112 -10.184 -11.955 21.949 758 1HG LYS 112 1HG LYS 112 -12.106 -10.775 22.197 759 2HG LYS 112 2HG LYS 112 -12.571 -11.485 20.650 760 1HD LYS 112 1HD LYS 112 -13.253 -13.510 22.322 761 2HD LYS 112 2HD LYS 112 -13.512 -12.131 23.390 762 1HE LYS 112 1HE LYS 112 -14.608 -11.370 20.897 763 2HE LYS 112 2HE LYS 112 -15.156 -13.033 21.186 764 1HZ LYS 112 1HZ LYS 112 -15.705 -12.346 23.484 765 2HZ LYS 112 2HZ LYS 112 -15.323 -10.742 23.079 766 3HZ LYS 112 3HZ LYS 112 -16.626 -11.521 22.320 767 H ILE 113 H ILE 113 -8.595 -12.369 19.335 768 HA ILE 113 HA ILE 113 -6.950 -14.525 20.471 769 HB ILE 113 HB ILE 113 -8.124 -15.494 18.481 770 1HG1 ILE 113 1HG1 ILE 113 -5.292 -15.251 17.604 771 2HG1 ILE 113 2HG1 ILE 113 -5.562 -15.847 19.242 772 1HG2 ILE 113 1HG2 ILE 113 -7.834 -13.055 17.358 773 2HG2 ILE 113 2HG2 ILE 113 -6.432 -13.862 16.658 774 3HG2 ILE 113 3HG2 ILE 113 -8.047 -14.523 16.403 775 1HD1 ILE 113 1HD1 ILE 113 -7.452 -17.149 17.572 776 2HD1 ILE 113 2HD1 ILE 113 -5.896 -17.242 16.749 777 3HD1 ILE 113 3HD1 ILE 113 -6.064 -17.868 18.389 778 H VAL 114 H VAL 114 -4.636 -14.246 19.848 779 HA VAL 114 HA VAL 114 -4.019 -11.402 19.119 780 HB VAL 114 HB VAL 114 -2.525 -13.277 20.981 781 1HG1 VAL 114 1HG1 VAL 114 -1.283 -11.368 19.825 782 2HG1 VAL 114 2HG1 VAL 114 -2.326 -10.268 20.726 783 3HG1 VAL 114 3HG1 VAL 114 -1.235 -11.354 21.588 784 1HG2 VAL 114 1HG2 VAL 114 -4.891 -12.537 21.686 785 2HG2 VAL 114 2HG2 VAL 114 -3.578 -12.197 22.814 786 3HG2 VAL 114 3HG2 VAL 114 -4.218 -10.911 21.792 787 H TYR 115 H TYR 115 -2.813 -11.263 17.262 788 HA TYR 115 HA TYR 115 -1.657 -13.696 16.081 789 1HB TYR 115 1HB TYR 115 -1.709 -12.441 14.129 790 2HB TYR 115 2HB TYR 115 -2.913 -11.556 15.062 791 HD1 TYR 115 HD1 TYR 115 0.572 -11.565 13.859 792 HD2 TYR 115 HD2 TYR 115 -2.449 -9.339 15.944 793 HE1 TYR 115 HE1 TYR 115 1.987 -9.533 13.732 794 HE2 TYR 115 HE2 TYR 115 -1.027 -7.310 15.834 795 HH TYR 115 HH TYR 115 1.134 -6.595 15.452 796 H ASN 116 H ASN 116 0.665 -13.424 15.132 797 HA ASN 116 HA ASN 116 2.975 -13.002 15.457 798 1HB ASN 116 1HB ASN 116 1.572 -10.693 16.215 799 2HB ASN 116 2HB ASN 116 2.683 -11.000 17.548 800 2HD2 ASN 116 2HD2 ASN 116 4.801 -12.235 15.973 801 1HD2 ASN 116 1HD2 ASN 116 5.478 -11.024 14.995 802 H ALA 117 H ALA 117 1.662 -15.056 17.014 803 HA ALA 117 HA ALA 117 2.347 -14.884 19.812 804 1HB ALA 117 1HB ALA 117 1.917 -17.324 19.717 805 2HB ALA 117 2HB ALA 117 0.681 -16.429 18.833 806 3HB ALA 117 3HB ALA 117 1.967 -17.257 17.955 807 H LYS 118 H LYS 118 4.223 -15.385 16.972 808 HA LYS 118 HA LYS 118 6.315 -17.072 17.849 809 1HB LYS 118 1HB LYS 118 7.630 -15.631 16.172 810 2HB LYS 118 2HB LYS 118 6.156 -16.383 15.566 811 1HG LYS 118 1HG LYS 118 5.121 -14.382 15.276 812 2HG LYS 118 2HG LYS 118 5.715 -13.756 16.815 813 1HD LYS 118 1HD LYS 118 7.507 -14.069 14.400 814 2HD LYS 118 2HD LYS 118 6.594 -12.593 14.709 815 1HE LYS 118 1HE LYS 118 7.693 -12.367 16.915 816 2HE LYS 118 2HE LYS 118 8.612 -13.851 16.604 817 H HIS 119 H HIS 119 5.521 -13.808 18.787 818 HA HIS 119 HA HIS 119 8.090 -12.932 19.716 819 1HB HIS 119 1HB HIS 119 5.207 -12.289 20.342 820 2HB HIS 119 2HB HIS 119 6.523 -11.466 21.179 821 HD1 HIS 119 HD1 HIS 119 8.522 -10.807 19.136 822 HD2 HIS 119 HD2 HIS 119 4.454 -10.693 18.225 823 HE1 HIS 119 HE1 HIS 119 8.284 -9.311 17.107 824 H LEU 120 H LEU 120 5.589 -14.969 21.156 825 HA LEU 120 HA LEU 120 6.312 -14.909 23.878 826 1HB LEU 120 1HB LEU 120 4.827 -16.543 22.020 827 2HB LEU 120 2HB LEU 120 5.696 -17.580 23.150 828 HG LEU 120 HG LEU 120 4.148 -15.188 24.135 829 1HD1 LEU 120 1HD1 LEU 120 3.122 -17.849 23.216 830 2HD1 LEU 120 2HD1 LEU 120 2.394 -17.113 24.643 831 3HD1 LEU 120 3HD1 LEU 120 2.368 -16.260 23.100 832 1HD2 LEU 120 1HD2 LEU 120 5.336 -17.697 25.269 833 2HD2 LEU 120 2HD2 LEU 120 5.417 -16.047 25.885 834 3HD2 LEU 120 3HD2 LEU 120 3.935 -16.984 26.067 835 H ASP 121 H ASP 121 8.602 -14.806 24.183 836 HA ASP 121 HA ASP 121 10.519 -16.515 22.928 837 1HB ASP 121 1HB ASP 121 11.955 -15.730 24.787 838 2HB ASP 121 2HB ASP 121 11.002 -14.402 24.124 839 H TYR 122 H TYR 122 8.341 -17.021 25.626 840 HA TYR 122 HA TYR 122 9.697 -19.232 26.872 841 1HB TYR 122 1HB TYR 122 7.422 -17.661 27.243 842 2HB TYR 122 2HB TYR 122 6.774 -19.275 26.956 843 HD1 TYR 122 HD1 TYR 122 9.227 -17.365 29.016 844 HD2 TYR 122 HD2 TYR 122 6.917 -20.964 28.615 845 HE1 TYR 122 HE1 TYR 122 9.858 -18.027 31.322 846 HE2 TYR 122 HE2 TYR 122 7.547 -21.626 30.921 847 HH TYR 122 HH TYR 122 9.942 -19.831 32.756 848 H LEU 123 H LEU 123 7.786 -18.956 23.968 849 HA LEU 123 HA LEU 123 7.405 -21.909 23.810 850 1HB LEU 123 1HB LEU 123 6.168 -19.455 22.719 851 2HB LEU 123 2HB LEU 123 6.261 -20.799 21.581 852 HG LEU 123 HG LEU 123 5.391 -21.556 24.298 853 1HD1 LEU 123 1HD1 LEU 123 3.754 -19.699 22.553 854 2HD1 LEU 123 2HD1 LEU 123 3.049 -20.702 23.821 855 3HD1 LEU 123 3HD1 LEU 123 4.224 -19.454 24.235 856 1HD2 LEU 123 1HD2 LEU 123 5.169 -22.435 21.573 857 2HD2 LEU 123 2HD2 LEU 123 4.710 -23.296 23.042 858 3HD2 LEU 123 3HD2 LEU 123 3.547 -22.241 22.240 859 H GLN 124 H GLN 124 9.247 -19.277 22.409 860 HA GLN 124 HA GLN 124 10.059 -20.424 19.946 861 1HB GLN 124 1HB GLN 124 10.451 -18.106 21.227 862 2HB GLN 124 2HB GLN 124 11.986 -18.876 21.631 863 1HG GLN 124 1HG GLN 124 12.415 -19.290 19.239 864 2HG GLN 124 2HG GLN 124 10.871 -18.545 18.827 865 2HE2 GLN 124 2HE2 GLN 124 10.962 -16.340 20.683 866 1HE2 GLN 124 1HE2 GLN 124 12.215 -15.301 20.206 867 H ASN 125 H ASN 125 10.857 -21.330 23.194 868 HA ASN 125 HA ASN 125 13.429 -22.551 22.696 869 1HB ASN 125 1HB ASN 125 11.301 -22.558 24.797 870 2HB ASN 125 2HB ASN 125 12.521 -23.829 24.864 871 2HD2 ASN 125 2HD2 ASN 125 12.402 -20.248 24.349 872 1HD2 ASN 125 1HD2 ASN 125 13.781 -19.925 25.285 873 H ARG 126 H ARG 126 10.276 -23.425 21.742 874 HA ARG 126 HA ARG 126 10.844 -26.340 21.709 875 1HB ARG 126 1HB ARG 126 8.478 -24.547 21.155 876 2HB ARG 126 2HB ARG 126 8.442 -26.258 20.728 877 1HG ARG 126 1HG ARG 126 7.601 -26.376 22.882 878 2HG ARG 126 2HG ARG 126 9.324 -26.532 23.227 879 1HD ARG 126 1HD ARG 126 9.384 -23.996 23.496 880 2HD ARG 126 2HD ARG 126 7.612 -24.037 23.448 881 HE ARG 126 HE ARG 126 8.616 -26.018 25.292 882 1HH1 ARG 126 1HH1 ARG 126 6.296 -24.552 26.128 883 2HH1 ARG 126 2HH1 ARG 126 6.901 -23.385 27.256 884 1HH2 ARG 126 1HH2 ARG 126 10.192 -23.685 26.207 885 2HH2 ARG 126 2HH2 ARG 126 9.107 -22.894 27.301 886 H VAL 127 H VAL 127 11.479 -23.703 19.736 887 HA VAL 127 HA VAL 127 10.783 -24.587 17.122 888 HB VAL 127 HB VAL 127 12.604 -23.027 16.459 889 1HG1 VAL 127 1HG1 VAL 127 10.881 -22.161 18.800 890 2HG1 VAL 127 2HG1 VAL 127 11.756 -21.045 17.752 891 3HG1 VAL 127 3HG1 VAL 127 10.471 -22.054 17.089 892 1HG2 VAL 127 1HG2 VAL 127 13.481 -23.678 19.190 893 2HG2 VAL 127 2HG2 VAL 127 14.419 -23.083 17.821 894 3HG2 VAL 127 3HG2 VAL 127 13.518 -21.951 18.829 895 H ILE 128 H ILE 128 11.613 -26.224 15.868 896 HA ILE 128 HA ILE 128 14.113 -27.576 16.827 897 HB ILE 128 HB ILE 128 13.098 -29.567 15.692 898 1HG1 ILE 128 1HG1 ILE 128 10.496 -28.115 15.519 899 2HG1 ILE 128 2HG1 ILE 128 11.672 -27.831 14.237 900 1HG2 ILE 128 1HG2 ILE 128 12.715 -29.082 18.111 901 2HG2 ILE 128 2HG2 ILE 128 11.250 -28.203 17.672 902 3HG2 ILE 128 3HG2 ILE 128 11.361 -29.936 17.370 903 1HD1 ILE 128 1HD1 ILE 128 11.775 -30.573 14.541 904 2HD1 ILE 128 2HD1 ILE 128 10.066 -30.225 14.804 905 3HD1 ILE 128 3HD1 ILE 128 10.847 -29.726 13.303 No H/Q in entry = 905 Start of MODEL 16 1 H2 PRO 1 H2 PRO 1 -19.860 -13.595 12.905 2 H3 PRO 1 H3 PRO 1 -20.431 -15.151 13.293 3 HA PRO 1 HA PRO 1 -18.369 -15.716 13.850 4 1HB PRO 1 1HB PRO 1 -16.889 -15.598 11.551 5 2HB PRO 1 2HB PRO 1 -18.122 -16.838 11.847 6 1HG PRO 1 1HG PRO 1 -18.286 -14.343 10.227 7 2HG PRO 1 2HG PRO 1 -18.948 -15.949 9.893 8 1HD PRO 1 1HD PRO 1 -20.440 -13.875 10.843 9 2HD PRO 1 2HD PRO 1 -20.820 -15.580 11.162 10 H THR 2 H THR 2 -18.177 -13.626 15.120 11 HA THR 2 HA THR 2 -16.444 -11.557 13.867 12 HB THR 2 HB THR 2 -17.597 -11.566 16.657 13 HG1 THR 2 HG1 THR 2 -18.881 -11.196 14.178 14 1HG2 THR 2 1HG2 THR 2 -16.073 -9.753 15.204 15 2HG2 THR 2 2HG2 THR 2 -17.718 -9.137 15.040 16 3HG2 THR 2 3HG2 THR 2 -17.024 -9.384 16.643 17 H VAL 3 H VAL 3 -14.264 -11.630 14.221 18 HA VAL 3 HA VAL 3 -13.267 -12.991 16.704 19 HB VAL 3 HB VAL 3 -12.239 -13.123 13.850 20 1HG1 VAL 3 1HG1 VAL 3 -10.498 -13.056 15.746 21 2HG1 VAL 3 2HG1 VAL 3 -11.150 -14.618 16.239 22 3HG1 VAL 3 3HG1 VAL 3 -10.421 -14.431 14.644 23 1HG2 VAL 3 1HG2 VAL 3 -14.293 -14.517 14.760 24 2HG2 VAL 3 2HG2 VAL 3 -13.054 -15.302 13.781 25 3HG2 VAL 3 3HG2 VAL 3 -13.032 -15.475 15.535 26 H GLU 4 H GLU 4 -12.529 -11.226 17.881 27 HA GLU 4 HA GLU 4 -11.337 -8.885 16.591 28 1HB GLU 4 1HB GLU 4 -12.717 -9.310 18.856 29 2HB GLU 4 2HB GLU 4 -11.085 -9.448 19.512 30 1HG GLU 4 1HG GLU 4 -10.531 -7.244 18.941 31 2HG GLU 4 2HG GLU 4 -11.788 -7.145 17.708 32 H TYR 5 H TYR 5 -9.264 -9.063 15.784 33 HA TYR 5 HA TYR 5 -7.346 -10.970 16.950 34 1HB TYR 5 1HB TYR 5 -5.954 -10.185 15.068 35 2HB TYR 5 2HB TYR 5 -7.582 -10.575 14.515 36 HD1 TYR 5 HD1 TYR 5 -5.355 -7.772 15.539 37 HD2 TYR 5 HD2 TYR 5 -8.986 -8.912 13.548 38 HE1 TYR 5 HE1 TYR 5 -5.609 -5.461 14.676 39 HE2 TYR 5 HE2 TYR 5 -9.239 -6.601 12.686 40 HH TYR 5 HH TYR 5 -7.154 -4.000 13.763 41 H LEU 6 H LEU 6 -5.529 -10.402 18.175 42 HA LEU 6 HA LEU 6 -5.214 -7.497 18.869 43 1HB LEU 6 1HB LEU 6 -6.060 -9.708 20.460 44 2HB LEU 6 2HB LEU 6 -4.457 -9.240 21.023 45 HG LEU 6 HG LEU 6 -6.865 -7.421 20.719 46 1HD1 LEU 6 1HD1 LEU 6 -6.061 -9.112 22.810 47 2HD1 LEU 6 2HD1 LEU 6 -5.535 -7.501 23.300 48 3HD1 LEU 6 3HD1 LEU 6 -7.230 -7.797 22.912 49 1HD2 LEU 6 1HD2 LEU 6 -4.240 -6.699 20.349 50 2HD2 LEU 6 2HD2 LEU 6 -5.503 -5.614 20.931 51 3HD2 LEU 6 3HD2 LEU 6 -4.445 -6.433 22.080 52 H ASN 7 H ASN 7 -3.097 -6.784 18.770 53 HA ASN 7 HA ASN 7 -1.023 -8.461 17.676 54 1HB ASN 7 1HB ASN 7 -1.165 -6.067 17.297 55 2HB ASN 7 2HB ASN 7 -1.037 -5.745 19.021 56 2HD2 ASN 7 2HD2 ASN 7 0.948 -4.458 18.440 57 1HD2 ASN 7 1HD2 ASN 7 2.410 -5.276 18.174 58 H TYR 8 H TYR 8 0.108 -9.972 18.837 59 HA TYR 8 HA TYR 8 0.021 -10.370 21.627 60 1HB TYR 8 1HB TYR 8 0.833 -12.081 20.164 61 2HB TYR 8 2HB TYR 8 2.055 -11.011 19.478 62 HD1 TYR 8 HD1 TYR 8 0.986 -12.479 22.760 63 HD2 TYR 8 HD2 TYR 8 4.233 -11.069 20.327 64 HE1 TYR 8 HE1 TYR 8 2.602 -13.214 24.491 65 HE2 TYR 8 HE2 TYR 8 5.850 -11.802 22.060 66 HH TYR 8 HH TYR 8 4.775 -12.968 25.197 67 H GLU 9 H GLU 9 2.009 -8.206 19.698 68 HA GLU 9 HA GLU 9 3.991 -7.574 21.686 69 1HB GLU 9 1HB GLU 9 3.310 -6.912 19.028 70 2HB GLU 9 2HB GLU 9 3.318 -5.383 19.908 71 1HG GLU 9 1HG GLU 9 5.569 -6.491 20.915 72 2HG GLU 9 2HG GLU 9 5.561 -7.244 19.321 73 H THR 10 H THR 10 0.728 -6.402 21.052 74 HA THR 10 HA THR 10 0.819 -4.039 22.686 75 HB THR 10 HB THR 10 -1.307 -5.900 21.624 76 HG1 THR 10 HG1 THR 10 -1.568 -4.311 20.199 77 1HG2 THR 10 1HG2 THR 10 -2.064 -4.991 23.825 78 2HG2 THR 10 2HG2 THR 10 -1.807 -3.362 23.201 79 3HG2 THR 10 3HG2 THR 10 -3.027 -4.403 22.469 80 H LEU 11 H LEU 11 -0.053 -7.429 23.380 81 HA LEU 11 HA LEU 11 -0.955 -7.012 26.072 82 1HB LEU 11 1HB LEU 11 -1.480 -9.033 24.887 83 2HB LEU 11 2HB LEU 11 0.222 -9.353 24.551 84 HG LEU 11 HG LEU 11 0.673 -9.794 26.880 85 1HD1 LEU 11 1HD1 LEU 11 -1.760 -8.242 27.229 86 2HD1 LEU 11 2HD1 LEU 11 -1.824 -9.742 28.154 87 3HD1 LEU 11 3HD1 LEU 11 -0.495 -8.608 28.403 88 1HD2 LEU 11 1HD2 LEU 11 -1.205 -11.278 25.345 89 2HD2 LEU 11 2HD2 LEU 11 -0.149 -11.874 26.627 90 3HD2 LEU 11 3HD2 LEU 11 -1.771 -11.299 27.014 91 H ASP 12 H ASP 12 2.251 -7.786 24.714 92 HA ASP 12 HA ASP 12 3.543 -7.955 27.325 93 1HB ASP 12 1HB ASP 12 4.223 -8.130 24.439 94 2HB ASP 12 2HB ASP 12 5.540 -7.636 25.504 95 H ASP 13 H ASP 13 3.594 -5.555 24.657 96 HA ASP 13 HA ASP 13 5.302 -3.638 25.799 97 1HB ASP 13 1HB ASP 13 2.856 -3.490 24.029 98 2HB ASP 13 2HB ASP 13 3.791 -2.048 24.426 99 H GLN 14 H GLN 14 1.716 -3.506 25.939 100 HA GLN 14 HA GLN 14 1.583 -1.473 27.939 101 1HB GLN 14 1HB GLN 14 -0.134 -2.834 26.294 102 2HB GLN 14 2HB GLN 14 -0.554 -3.517 27.865 103 1HG GLN 14 1HG GLN 14 -1.860 -1.670 28.090 104 2HG GLN 14 2HG GLN 14 -0.347 -0.840 28.454 105 2HE2 GLN 14 2HE2 GLN 14 -2.729 0.307 27.077 106 1HE2 GLN 14 1HE2 GLN 14 -2.189 0.808 25.548 107 H GLY 15 H GLY 15 1.896 -4.985 28.157 108 1HA GLY 15 1HA GLY 15 2.768 -4.812 30.921 109 2HA GLY 15 2HA GLY 15 2.539 -6.300 30.003 110 H TRP 16 H TRP 16 -0.074 -6.341 29.360 111 HA TRP 16 HA TRP 16 -1.556 -5.919 31.932 112 1HB TRP 16 1HB TRP 16 -2.060 -5.288 29.188 113 2HB TRP 16 2HB TRP 16 -3.257 -6.478 29.699 114 HD1 TRP 16 HD1 TRP 16 -3.550 -3.166 29.254 115 HE1 TRP 16 HE1 TRP 16 -4.729 -1.869 31.144 116 HE3 TRP 16 HE3 TRP 16 -3.073 -6.534 33.060 117 HZ2 TRP 16 HZ2 TRP 16 -5.383 -2.217 33.908 118 HZ3 TRP 16 HZ3 TRP 16 -3.982 -6.028 35.309 119 HH2 TRP 16 HH2 TRP 16 -5.136 -3.876 35.738 120 H ASP 17 H ASP 17 -3.665 -7.604 31.575 121 HA ASP 17 HA ASP 17 -2.391 -10.267 31.846 122 1HB ASP 17 1HB ASP 17 -4.973 -8.931 32.571 123 2HB ASP 17 2HB ASP 17 -4.948 -10.691 32.458 124 H MET 18 H MET 18 -4.091 -12.078 30.990 125 HA MET 18 HA MET 18 -4.050 -11.855 28.083 126 1HB MET 18 1HB MET 18 -4.958 -13.873 30.137 127 2HB MET 18 2HB MET 18 -5.243 -14.139 28.416 128 1HG MET 18 1HG MET 18 -3.056 -14.596 28.011 129 2HG MET 18 2HG MET 18 -2.499 -13.279 29.046 130 1HE MET 18 1HE MET 18 -1.027 -15.433 28.654 131 2HE MET 18 2HE MET 18 -0.390 -15.446 30.296 132 3HE MET 18 3HE MET 18 -1.121 -16.907 29.615 133 H ASP 19 H ASP 19 -6.681 -12.228 30.494 134 HA ASP 19 HA ASP 19 -8.492 -10.763 28.621 135 1HB ASP 19 1HB ASP 19 -10.205 -12.573 29.265 136 2HB ASP 19 2HB ASP 19 -8.919 -13.066 28.165 137 H ASP 20 H ASP 20 -7.132 -10.751 31.568 138 HA ASP 20 HA ASP 20 -9.365 -10.446 33.374 139 1HB ASP 20 1HB ASP 20 -6.823 -10.889 33.759 140 2HB ASP 20 2HB ASP 20 -6.662 -9.135 33.659 141 H ASP 21 H ASP 21 -7.148 -7.968 32.017 142 HA ASP 21 HA ASP 21 -8.976 -5.802 32.735 143 1HB ASP 21 1HB ASP 21 -6.337 -5.974 32.514 144 2HB ASP 21 2HB ASP 21 -6.669 -5.525 30.842 145 H ASP 22 H ASP 22 -9.432 -8.035 30.459 146 HA ASP 22 HA ASP 22 -10.487 -8.069 28.341 147 1HB ASP 22 1HB ASP 22 -11.473 -5.512 29.643 148 2HB ASP 22 2HB ASP 22 -12.179 -6.179 28.171 149 H LEU 23 H LEU 23 -7.894 -7.313 28.044 150 HA LEU 23 HA LEU 23 -7.010 -4.905 27.111 151 1HB LEU 23 1HB LEU 23 -6.677 -7.736 26.197 152 2HB LEU 23 2HB LEU 23 -5.929 -6.458 25.238 153 HG LEU 23 HG LEU 23 -4.903 -5.587 27.387 154 1HD1 LEU 23 1HD1 LEU 23 -6.178 -8.138 28.369 155 2HD1 LEU 23 2HD1 LEU 23 -4.743 -7.483 29.157 156 3HD1 LEU 23 3HD1 LEU 23 -6.226 -6.532 29.096 157 1HD2 LEU 23 1HD2 LEU 23 -4.111 -7.668 25.680 158 2HD2 LEU 23 2HD2 LEU 23 -3.069 -6.747 26.765 159 3HD2 LEU 23 3HD2 LEU 23 -3.781 -8.268 27.307 160 H PHE 24 H PHE 24 -9.027 -7.143 25.164 161 HA PHE 24 HA PHE 24 -9.105 -5.672 22.758 162 1HB PHE 24 1HB PHE 24 -11.140 -7.405 24.185 163 2HB PHE 24 2HB PHE 24 -11.353 -6.846 22.526 164 HD1 PHE 24 HD1 PHE 24 -9.755 -7.552 20.748 165 HD2 PHE 24 HD2 PHE 24 -9.551 -9.127 24.739 166 HE1 PHE 24 HE1 PHE 24 -8.304 -9.399 19.946 167 HE2 PHE 24 HE2 PHE 24 -8.102 -10.972 23.938 168 HZ PHE 24 HZ PHE 24 -7.479 -11.108 21.540 169 H GLU 25 H GLU 25 -10.722 -5.088 25.812 170 HA GLU 25 HA GLU 25 -12.562 -3.080 24.680 171 1HB GLU 25 1HB GLU 25 -12.794 -4.752 26.718 172 2HB GLU 25 2HB GLU 25 -11.979 -3.462 27.601 173 1HG GLU 25 1HG GLU 25 -13.706 -1.876 27.011 174 2HG GLU 25 2HG GLU 25 -14.459 -3.032 25.913 175 H LYS 26 H LYS 26 -9.592 -3.154 26.644 176 HA LYS 26 HA LYS 26 -9.509 -0.246 26.969 177 1HB LYS 26 1HB LYS 26 -8.240 -2.617 27.986 178 2HB LYS 26 2HB LYS 26 -6.993 -1.490 27.451 179 1HG LYS 26 1HG LYS 26 -9.320 -0.607 29.167 180 2HG LYS 26 2HG LYS 26 -7.820 -1.218 29.869 181 1HD LYS 26 1HD LYS 26 -7.906 1.053 27.865 182 2HD LYS 26 2HD LYS 26 -7.931 1.306 29.610 183 1HE LYS 26 1HE LYS 26 -5.658 1.238 29.523 184 2HE LYS 26 2HE LYS 26 -5.812 -0.495 29.178 185 1HZ LYS 26 1HZ LYS 26 -6.096 1.602 27.095 186 2HZ LYS 26 2HZ LYS 26 -4.609 0.858 27.439 187 3HZ LYS 26 3HZ LYS 26 -5.911 -0.070 26.867 188 H ALA 27 H ALA 27 -8.380 -2.557 24.614 189 HA ALA 27 HA ALA 27 -6.187 -1.078 23.503 190 1HB ALA 27 1HB ALA 27 -8.149 -3.103 22.385 191 2HB ALA 27 2HB ALA 27 -6.719 -2.556 21.510 192 3HB ALA 27 3HB ALA 27 -6.541 -3.424 23.035 193 H ALA 28 H ALA 28 -9.646 -0.711 23.243 194 HA ALA 28 HA ALA 28 -9.632 0.831 20.769 195 1HB ALA 28 1HB ALA 28 -11.494 -0.161 22.811 196 2HB ALA 28 2HB ALA 28 -11.746 0.054 21.079 197 3HB ALA 28 3HB ALA 28 -11.950 1.420 22.175 198 H ASP 29 H ASP 29 -8.832 1.517 24.037 199 HA ASP 29 HA ASP 29 -9.423 4.420 23.771 200 1HB ASP 29 1HB ASP 29 -8.778 2.459 25.932 201 2HB ASP 29 2HB ASP 29 -8.352 4.147 26.212 202 H ALA 30 H ALA 30 -6.907 2.321 23.013 203 HA ALA 30 HA ALA 30 -4.772 4.305 23.653 204 1HB ALA 30 1HB ALA 30 -4.984 1.376 23.129 205 2HB ALA 30 2HB ALA 30 -4.029 2.230 24.342 206 3HB ALA 30 3HB ALA 30 -3.475 2.166 22.669 207 H GLY 31 H GLY 31 -6.406 2.722 20.956 208 1HA GLY 31 1HA GLY 31 -5.575 4.781 19.106 209 2HA GLY 31 2HA GLY 31 -6.434 3.302 18.675 210 H LEU 32 H LEU 32 -4.689 1.338 19.477 211 HA LEU 32 HA LEU 32 -1.948 1.845 18.654 212 1HB LEU 32 1HB LEU 32 -3.497 -0.747 18.958 213 2HB LEU 32 2HB LEU 32 -1.743 -0.563 19.011 214 HG LEU 32 HG LEU 32 -3.408 1.065 20.896 215 1HD1 LEU 32 1HD1 LEU 32 -3.739 -1.700 20.751 216 2HD1 LEU 32 2HD1 LEU 32 -2.548 -1.482 22.032 217 3HD1 LEU 32 3HD1 LEU 32 -4.116 -0.683 22.141 218 1HD2 LEU 32 1HD2 LEU 32 -0.626 0.063 20.624 219 2HD2 LEU 32 2HD2 LEU 32 -1.213 1.590 21.281 220 3HD2 LEU 32 3HD2 LEU 32 -1.265 0.129 22.266 221 H ASP 33 H ASP 33 -1.218 -0.115 16.954 222 HA ASP 33 HA ASP 33 -1.926 0.812 14.363 223 1HB ASP 33 1HB ASP 33 -0.840 -1.871 15.285 224 2HB ASP 33 2HB ASP 33 -0.715 -1.228 13.647 225 H GLY 34 H GLY 34 -3.245 -0.202 12.721 226 1HA GLY 34 1HA GLY 34 -5.329 -1.075 12.037 227 2HA GLY 34 2HA GLY 34 -5.716 -1.351 13.733 228 H GLU 35 H GLU 35 -3.023 -2.570 11.750 229 HA GLU 35 HA GLU 35 -4.017 -5.236 11.420 230 1HB GLU 35 1HB GLU 35 -1.608 -3.665 10.972 231 2HB GLU 35 2HB GLU 35 -1.206 -5.302 11.489 232 1HG GLU 35 1HG GLU 35 -1.422 -5.617 9.196 233 2HG GLU 35 2HG GLU 35 -3.066 -5.971 9.728 234 H ASP 36 H ASP 36 -2.895 -3.606 14.194 235 HA ASP 36 HA ASP 36 -1.868 -6.017 15.571 236 1HB ASP 36 1HB ASP 36 -2.108 -3.064 16.061 237 2HB ASP 36 2HB ASP 36 -1.854 -4.133 17.441 238 H TYR 37 H TYR 37 -4.511 -3.638 16.101 239 HA TYR 37 HA TYR 37 -6.046 -5.822 17.470 240 1HB TYR 37 1HB TYR 37 -5.315 -4.492 19.249 241 2HB TYR 37 2HB TYR 37 -5.337 -3.018 18.284 242 HD1 TYR 37 HD1 TYR 37 -7.842 -5.678 19.194 243 HD2 TYR 37 HD2 TYR 37 -6.937 -1.485 18.965 244 HE1 TYR 37 HE1 TYR 37 -10.107 -5.141 20.053 245 HE2 TYR 37 HE2 TYR 37 -9.201 -0.948 19.823 246 HH TYR 37 HH TYR 37 -11.323 -1.862 20.106 247 H GLY 38 H GLY 38 -8.224 -5.913 16.914 248 1HA GLY 38 1HA GLY 38 -9.099 -4.438 14.571 249 2HA GLY 38 2HA GLY 38 -9.914 -3.891 16.035 250 H THR 39 H THR 39 -11.725 -4.854 14.503 251 HA THR 39 HA THR 39 -12.392 -7.518 15.612 252 HB THR 39 HB THR 39 -13.998 -5.659 13.831 253 HG1 THR 39 HG1 THR 39 -13.486 -5.660 16.596 254 1HG2 THR 39 1HG2 THR 39 -14.483 -8.234 14.946 255 2HG2 THR 39 2HG2 THR 39 -15.501 -7.082 15.812 256 3HG2 THR 39 3HG2 THR 39 -15.608 -7.207 14.055 257 H MET 40 H MET 40 -12.381 -9.380 14.373 258 HA MET 40 HA MET 40 -11.834 -9.065 11.440 259 1HB MET 40 1HB MET 40 -10.299 -10.225 13.427 260 2HB MET 40 2HB MET 40 -11.131 -11.612 12.724 261 1HG MET 40 1HG MET 40 -10.439 -10.676 10.441 262 2HG MET 40 2HG MET 40 -9.362 -9.596 11.324 263 1HE MET 40 1HE MET 40 -10.023 -12.577 9.653 264 2HE MET 40 2HE MET 40 -8.807 -13.797 10.061 265 3HE MET 40 3HE MET 40 -10.247 -13.614 11.061 266 H GLU 41 H GLU 41 -13.965 -9.300 10.653 267 HA GLU 41 HA GLU 41 -15.618 -11.563 11.639 268 1HB GLU 41 1HB GLU 41 -15.984 -9.069 10.010 269 2HB GLU 41 2HB GLU 41 -17.162 -10.371 9.836 270 1HG GLU 41 1HG GLU 41 -17.119 -10.336 12.481 271 2HG GLU 41 2HG GLU 41 -16.532 -8.690 12.238 272 H VAL 42 H VAL 42 -15.264 -13.507 10.632 273 HA VAL 42 HA VAL 42 -14.778 -13.480 7.670 274 HB VAL 42 HB VAL 42 -13.140 -15.207 7.998 275 1HG1 VAL 42 1HG1 VAL 42 -12.921 -13.063 10.130 276 2HG1 VAL 42 2HG1 VAL 42 -11.597 -14.142 9.689 277 3HG1 VAL 42 3HG1 VAL 42 -12.250 -13.016 8.500 278 1HG2 VAL 42 1HG2 VAL 42 -14.316 -15.330 10.776 279 2HG2 VAL 42 2HG2 VAL 42 -14.152 -16.633 9.600 280 3HG2 VAL 42 3HG2 VAL 42 -12.724 -15.999 10.418 281 H ALA 43 H ALA 43 -15.884 -15.092 6.505 282 HA ALA 43 HA ALA 43 -18.335 -16.111 7.514 283 1HB ALA 43 1HB ALA 43 -18.338 -17.365 5.412 284 2HB ALA 43 2HB ALA 43 -17.655 -15.764 5.128 285 3HB ALA 43 3HB ALA 43 -16.592 -17.165 5.263 286 H GLU 44 H GLU 44 -18.629 -17.725 8.997 287 HA GLU 44 HA GLU 44 -16.728 -19.307 10.244 288 1HB GLU 44 1HB GLU 44 -19.391 -19.010 10.380 289 2HB GLU 44 2HB GLU 44 -19.347 -20.561 9.544 290 1HG GLU 44 1HG GLU 44 -17.699 -21.319 11.354 291 2HG GLU 44 2HG GLU 44 -18.161 -19.864 12.237 292 H GLY 45 H GLY 45 -15.239 -20.667 9.341 293 1HA GLY 45 1HA GLY 45 -16.112 -22.345 7.021 294 2HA GLY 45 2HA GLY 45 -15.020 -22.936 8.275 295 H GLU 46 H GLU 46 -14.380 -19.696 7.655 296 HA GLU 46 HA GLU 46 -12.463 -20.260 5.448 297 1HB GLU 46 1HB GLU 46 -14.036 -18.014 6.467 298 2HB GLU 46 2HB GLU 46 -12.361 -17.561 6.147 299 1HG GLU 46 1HG GLU 46 -12.558 -18.569 3.876 300 2HG GLU 46 2HG GLU 46 -14.255 -18.919 4.203 301 H TYR 47 H TYR 47 -10.217 -19.989 5.742 302 HA TYR 47 HA TYR 47 -9.182 -20.340 8.430 303 1HB TYR 47 1HB TYR 47 -7.952 -19.832 5.708 304 2HB TYR 47 2HB TYR 47 -6.995 -20.175 7.150 305 HD1 TYR 47 HD1 TYR 47 -8.279 -22.228 8.585 306 HD2 TYR 47 HD2 TYR 47 -8.152 -21.691 4.326 307 HE1 TYR 47 HE1 TYR 47 -8.670 -24.657 8.267 308 HE2 TYR 47 HE2 TYR 47 -8.542 -24.119 4.008 309 HH TYR 47 HH TYR 47 -9.339 -26.014 5.124 310 H ILE 48 H ILE 48 -8.373 -18.787 9.805 311 HA ILE 48 HA ILE 48 -8.977 -16.071 9.675 312 HB ILE 48 HB ILE 48 -6.731 -17.650 10.934 313 1HG1 ILE 48 1HG1 ILE 48 -9.216 -17.823 11.616 314 2HG1 ILE 48 2HG1 ILE 48 -8.043 -17.532 12.900 315 1HG2 ILE 48 1HG2 ILE 48 -7.359 -14.708 11.320 316 2HG2 ILE 48 2HG2 ILE 48 -6.249 -15.644 12.320 317 3HG2 ILE 48 3HG2 ILE 48 -5.885 -15.372 10.616 318 1HD1 ILE 48 1HD1 ILE 48 -9.442 -15.253 11.495 319 2HD1 ILE 48 2HD1 ILE 48 -10.164 -16.061 12.886 320 3HD1 ILE 48 3HD1 ILE 48 -8.615 -15.235 13.052 321 H LEU 49 H LEU 49 -5.643 -17.258 9.135 322 HA LEU 49 HA LEU 49 -4.477 -15.019 8.021 323 1HB LEU 49 1HB LEU 49 -3.299 -17.101 8.445 324 2HB LEU 49 2HB LEU 49 -4.245 -17.934 7.214 325 HG LEU 49 HG LEU 49 -1.861 -17.145 6.572 326 1HD1 LEU 49 1HD1 LEU 49 -4.035 -17.697 5.099 327 2HD1 LEU 49 2HD1 LEU 49 -3.836 -16.001 4.656 328 3HD1 LEU 49 3HD1 LEU 49 -2.525 -17.146 4.372 329 1HD2 LEU 49 1HD2 LEU 49 -2.657 -14.756 7.557 330 2HD2 LEU 49 2HD2 LEU 49 -1.425 -14.911 6.304 331 3HD2 LEU 49 3HD2 LEU 49 -3.090 -14.533 5.861 332 H GLU 50 H GLU 50 -6.677 -17.274 6.380 333 HA GLU 50 HA GLU 50 -6.356 -16.031 3.760 334 1HB GLU 50 1HB GLU 50 -7.207 -18.425 4.693 335 2HB GLU 50 2HB GLU 50 -8.764 -17.630 4.461 336 1HG GLU 50 1HG GLU 50 -6.588 -17.958 2.372 337 2HG GLU 50 2HG GLU 50 -8.134 -18.805 2.411 338 H ALA 51 H ALA 51 -9.017 -16.075 6.169 339 HA ALA 51 HA ALA 51 -10.710 -14.239 4.785 340 1HB ALA 51 1HB ALA 51 -11.107 -15.867 6.773 341 2HB ALA 51 2HB ALA 51 -10.549 -14.530 7.779 342 3HB ALA 51 3HB ALA 51 -11.984 -14.337 6.771 343 H ALA 52 H ALA 52 -8.401 -13.689 7.436 344 HA ALA 52 HA ALA 52 -8.822 -10.836 7.542 345 1HB ALA 52 1HB ALA 52 -7.574 -12.799 9.038 346 2HB ALA 52 2HB ALA 52 -6.216 -11.858 8.421 347 3HB ALA 52 3HB ALA 52 -7.484 -11.066 9.358 348 H GLU 53 H GLU 53 -6.667 -12.905 5.674 349 HA GLU 53 HA GLU 53 -4.851 -10.836 4.812 350 1HB GLU 53 1HB GLU 53 -4.206 -13.127 4.627 351 2HB GLU 53 2HB GLU 53 -5.687 -13.548 3.766 352 1HG GLU 53 1HG GLU 53 -3.876 -11.482 2.572 353 2HG GLU 53 2HG GLU 53 -3.413 -13.179 2.447 354 H ALA 54 H ALA 54 -7.981 -11.970 3.666 355 HA ALA 54 HA ALA 54 -7.908 -10.602 1.111 356 1HB ALA 54 1HB ALA 54 -9.616 -12.080 0.972 357 2HB ALA 54 2HB ALA 54 -9.671 -12.258 2.726 358 3HB ALA 54 3HB ALA 54 -10.568 -10.957 1.943 359 H GLN 55 H GLN 55 -8.292 -9.501 4.333 360 HA GLN 55 HA GLN 55 -9.871 -7.113 3.515 361 1HB GLN 55 1HB GLN 55 -8.934 -8.262 6.159 362 2HB GLN 55 2HB GLN 55 -9.832 -6.749 6.025 363 1HG GLN 55 1HG GLN 55 -11.032 -8.992 4.538 364 2HG GLN 55 2HG GLN 55 -10.986 -9.232 6.285 365 2HE2 GLN 55 2HE2 GLN 55 -12.528 -7.454 3.711 366 1HE2 GLN 55 1HE2 GLN 55 -13.553 -6.523 4.692 367 H GLY 56 H GLY 56 -6.620 -8.079 4.415 368 1HA GLY 56 1HA GLY 56 -5.797 -5.204 4.292 369 2HA GLY 56 2HA GLY 56 -4.868 -6.480 3.505 370 H TYR 57 H TYR 57 -5.704 -8.151 6.039 371 HA TYR 57 HA TYR 57 -4.110 -6.897 8.165 372 1HB TYR 57 1HB TYR 57 -5.541 -9.540 7.779 373 2HB TYR 57 2HB TYR 57 -4.669 -9.141 9.260 374 HD1 TYR 57 HD1 TYR 57 -5.228 -6.317 9.674 375 HD2 TYR 57 HD2 TYR 57 -7.820 -9.421 8.237 376 HE1 TYR 57 HE1 TYR 57 -7.199 -5.043 10.477 377 HE2 TYR 57 HE2 TYR 57 -9.789 -8.154 9.039 378 HH TYR 57 HH TYR 57 -9.518 -5.467 11.130 379 H ASP 58 H ASP 58 -2.482 -8.658 9.244 380 HA ASP 58 HA ASP 58 -0.868 -9.970 7.100 381 1HB ASP 58 1HB ASP 58 -0.166 -7.569 7.581 382 2HB ASP 58 2HB ASP 58 0.281 -8.112 9.199 383 H TRP 59 H TRP 59 -0.146 -11.954 7.786 384 HA TRP 59 HA TRP 59 0.144 -12.443 10.725 385 1HB TRP 59 1HB TRP 59 -1.162 -14.370 8.786 386 2HB TRP 59 2HB TRP 59 -1.182 -14.431 10.549 387 HD1 TRP 59 HD1 TRP 59 -2.376 -12.064 7.731 388 HE1 TRP 59 HE1 TRP 59 -4.574 -10.965 8.494 389 HE3 TRP 59 HE3 TRP 59 -2.779 -14.036 12.425 390 HZ2 TRP 59 HZ2 TRP 59 -6.285 -10.923 10.781 391 HZ3 TRP 59 HZ3 TRP 59 -4.705 -13.450 13.871 392 HH2 TRP 59 HH2 TRP 59 -6.456 -11.896 13.054 393 HA PRO 60 HA PRO 60 3.881 -14.340 9.370 394 1HB PRO 60 1HB PRO 60 4.396 -15.878 11.575 395 2HB PRO 60 2HB PRO 60 4.619 -14.119 11.553 396 1HG PRO 60 1HG PRO 60 2.388 -15.740 12.679 397 2HG PRO 60 2HG PRO 60 3.141 -14.269 13.310 398 1HD PRO 60 1HD PRO 60 0.740 -14.319 11.989 399 2HD PRO 60 2HD PRO 60 1.811 -12.903 12.048 400 H PHE 61 H PHE 61 4.387 -16.238 8.243 401 HA PHE 61 HA PHE 61 3.207 -18.817 8.888 402 1HB PHE 61 1HB PHE 61 1.842 -18.902 6.769 403 2HB PHE 61 2HB PHE 61 1.246 -17.734 7.949 404 HD1 PHE 61 HD1 PHE 61 3.632 -17.955 5.058 405 HD2 PHE 61 HD2 PHE 61 0.830 -15.545 7.248 406 HE1 PHE 61 HE1 PHE 61 3.888 -16.138 3.388 407 HE2 PHE 61 HE2 PHE 61 1.087 -13.729 5.578 408 HZ PHE 61 HZ PHE 61 2.617 -14.026 3.649 409 H SER 62 H SER 62 4.148 -20.491 7.609 410 HA SER 62 HA SER 62 6.066 -19.677 5.477 411 1HB SER 62 1HB SER 62 7.269 -19.675 7.623 412 2HB SER 62 2HB SER 62 6.683 -21.302 7.967 413 HG SER 62 HG SER 62 8.628 -21.640 7.084 414 H CYS 63 H CYS 63 5.082 -22.554 7.372 415 HA CYS 63 HA CYS 63 5.365 -24.350 5.131 416 1HB CYS 63 1HB CYS 63 4.918 -25.947 6.753 417 2HB CYS 63 2HB CYS 63 5.409 -24.600 7.774 418 H ARG 64 H ARG 64 2.534 -22.773 6.641 419 HA ARG 64 HA ARG 64 0.336 -22.464 5.825 420 1HB ARG 64 1HB ARG 64 2.167 -22.630 3.472 421 2HB ARG 64 2HB ARG 64 0.431 -22.624 3.160 422 1HG ARG 64 1HG ARG 64 0.253 -20.431 3.681 423 2HG ARG 64 2HG ARG 64 1.204 -20.631 5.153 424 1HD ARG 64 1HD ARG 64 2.768 -19.391 4.017 425 2HD ARG 64 2HD ARG 64 3.130 -20.924 3.201 426 HE ARG 64 HE ARG 64 0.863 -19.498 2.024 427 1HH1 ARG 64 1HH1 ARG 64 3.829 -20.917 1.451 428 2HH1 ARG 64 2HH1 ARG 64 4.286 -19.872 0.148 429 1HH2 ARG 64 1HH2 ARG 64 1.642 -17.681 0.626 430 2HH2 ARG 64 2HH2 ARG 64 3.049 -18.040 -0.319 431 H ALA 65 H ALA 65 1.224 -25.266 6.460 432 HA ALA 65 HA ALA 65 -0.879 -26.700 4.921 433 1HB ALA 65 1HB ALA 65 0.716 -28.613 4.755 434 2HB ALA 65 2HB ALA 65 1.957 -27.608 5.505 435 3HB ALA 65 3HB ALA 65 1.311 -27.177 3.923 436 H GLY 66 H GLY 66 0.189 -25.733 7.908 437 1HA GLY 66 1HA GLY 66 -1.446 -27.758 9.263 438 2HA GLY 66 2HA GLY 66 -0.699 -26.354 10.022 439 H ALA 67 H ALA 67 1.995 -26.862 9.120 440 HA ALA 67 HA ALA 67 2.599 -29.330 10.710 441 1HB ALA 67 1HB ALA 67 3.523 -30.171 8.839 442 2HB ALA 67 2HB ALA 67 3.060 -28.715 7.959 443 3HB ALA 67 3HB ALA 67 4.626 -28.797 8.765 444 H CYS 68 H CYS 68 2.884 -26.038 10.818 445 HA CYS 68 HA CYS 68 5.369 -26.258 12.450 446 1HB CYS 68 1HB CYS 68 6.545 -24.725 11.183 447 2HB CYS 68 2HB CYS 68 5.547 -25.425 9.915 448 H ALA 69 H ALA 69 5.664 -23.813 13.477 449 HA ALA 69 HA ALA 69 2.939 -23.039 14.478 450 1HB ALA 69 1HB ALA 69 5.424 -22.828 16.146 451 2HB ALA 69 2HB ALA 69 3.760 -23.115 16.657 452 3HB ALA 69 3HB ALA 69 4.690 -24.414 15.910 453 H ASN 70 H ASN 70 5.257 -21.904 12.542 454 HA ASN 70 HA ASN 70 6.135 -19.417 13.573 455 1HB ASN 70 1HB ASN 70 5.383 -20.316 10.773 456 2HB ASN 70 2HB ASN 70 6.291 -18.845 11.125 457 2HD2 ASN 70 2HD2 ASN 70 8.239 -19.411 12.807 458 1HD2 ASN 70 1HD2 ASN 70 9.166 -20.760 12.354 459 H CYS 71 H CYS 71 3.069 -20.292 11.984 460 HA CYS 71 HA CYS 71 2.086 -17.504 12.126 461 1HB CYS 71 1HB CYS 71 0.336 -18.342 10.748 462 2HB CYS 71 2HB CYS 71 1.756 -19.258 10.246 463 H ALA 72 H ALA 72 2.527 -19.664 14.448 464 HA ALA 72 HA ALA 72 0.155 -20.369 15.707 465 1HB ALA 72 1HB ALA 72 2.416 -20.938 16.453 466 2HB ALA 72 2HB ALA 72 1.522 -20.195 17.780 467 3HB ALA 72 3HB ALA 72 2.715 -19.252 16.886 468 H SER 73 H SER 73 -1.084 -19.360 17.425 469 HA SER 73 HA SER 73 -0.982 -16.368 17.543 470 1HB SER 73 1HB SER 73 -2.782 -17.866 16.059 471 2HB SER 73 2HB SER 73 -3.661 -17.564 17.558 472 HG SER 73 HG SER 73 -4.039 -15.820 16.291 473 H ILE 74 H ILE 74 -3.194 -16.054 19.213 474 HA ILE 74 HA ILE 74 -2.810 -17.856 21.541 475 HB ILE 74 HB ILE 74 -2.210 -14.889 21.419 476 1HG1 ILE 74 1HG1 ILE 74 -0.406 -16.511 20.797 477 2HG1 ILE 74 2HG1 ILE 74 -0.020 -15.573 22.240 478 1HG2 ILE 74 1HG2 ILE 74 -3.230 -16.511 23.621 479 2HG2 ILE 74 2HG2 ILE 74 -1.664 -15.794 24.001 480 3HG2 ILE 74 3HG2 ILE 74 -3.014 -14.763 23.527 481 1HD1 ILE 74 1HD1 ILE 74 -0.880 -17.469 23.635 482 2HD1 ILE 74 2HD1 ILE 74 -1.097 -18.408 22.157 483 3HD1 ILE 74 3HD1 ILE 74 0.519 -17.910 22.659 484 H VAL 75 H VAL 75 -5.121 -18.180 20.550 485 HA VAL 75 HA VAL 75 -7.206 -16.342 20.533 486 HB VAL 75 HB VAL 75 -7.243 -18.806 20.007 487 1HG1 VAL 75 1HG1 VAL 75 -6.150 -19.538 22.119 488 2HG1 VAL 75 2HG1 VAL 75 -7.595 -19.057 23.009 489 3HG1 VAL 75 3HG1 VAL 75 -7.678 -20.372 21.837 490 1HG2 VAL 75 1HG2 VAL 75 -9.301 -17.308 20.351 491 2HG2 VAL 75 2HG2 VAL 75 -9.561 -19.047 20.483 492 3HG2 VAL 75 3HG2 VAL 75 -9.442 -18.061 21.940 493 H LYS 76 H LYS 76 -8.108 -15.010 22.064 494 HA LYS 76 HA LYS 76 -7.308 -15.378 24.906 495 1HB LYS 76 1HB LYS 76 -8.765 -13.118 23.499 496 2HB LYS 76 2HB LYS 76 -8.032 -13.054 25.100 497 1HG LYS 76 1HG LYS 76 -6.286 -13.885 22.827 498 2HG LYS 76 2HG LYS 76 -6.740 -12.184 22.919 499 1HD LYS 76 1HD LYS 76 -5.899 -13.382 25.488 500 2HD LYS 76 2HD LYS 76 -4.629 -13.277 24.269 501 1HE LYS 76 1HE LYS 76 -5.234 -10.845 23.949 502 2HE LYS 76 2HE LYS 76 -6.331 -10.998 25.334 503 1HZ LYS 76 1HZ LYS 76 -4.090 -12.192 26.235 504 2HZ LYS 76 2HZ LYS 76 -3.435 -10.960 25.268 505 3HZ LYS 76 3HZ LYS 76 -4.493 -10.571 26.537 506 H GLU 77 H GLU 77 -9.876 -16.171 22.865 507 HA GLU 77 HA GLU 77 -11.547 -17.227 24.902 508 1HB GLU 77 1HB GLU 77 -11.568 -14.384 24.704 509 2HB GLU 77 2HB GLU 77 -13.126 -14.961 24.113 510 1HG GLU 77 1HG GLU 77 -12.459 -16.496 26.422 511 2HG GLU 77 2HG GLU 77 -12.208 -14.797 26.822 512 H GLY 78 H GLY 78 -13.682 -17.909 24.021 513 1HA GLY 78 1HA GLY 78 -14.037 -17.551 21.103 514 2HA GLY 78 2HA GLY 78 -15.214 -18.272 22.202 515 H GLU 79 H GLU 79 -14.730 -19.655 19.915 516 HA GLU 79 HA GLU 79 -12.771 -21.795 20.657 517 1HB GLU 79 1HB GLU 79 -15.050 -22.387 21.404 518 2HB GLU 79 2HB GLU 79 -15.659 -22.117 19.772 519 1HG GLU 79 1HG GLU 79 -15.315 -24.475 19.948 520 2HG GLU 79 2HG GLU 79 -13.957 -23.865 19.002 521 H ILE 80 H ILE 80 -11.546 -22.419 18.909 522 HA ILE 80 HA ILE 80 -12.398 -21.445 16.205 523 HB ILE 80 HB ILE 80 -9.735 -22.023 17.523 524 1HG1 ILE 80 1HG1 ILE 80 -10.666 -19.516 16.119 525 2HG1 ILE 80 2HG1 ILE 80 -11.021 -19.809 17.823 526 1HG2 ILE 80 1HG2 ILE 80 -10.439 -21.640 14.617 527 2HG2 ILE 80 2HG2 ILE 80 -8.858 -21.159 15.234 528 3HG2 ILE 80 3HG2 ILE 80 -9.373 -22.842 15.343 529 1HD1 ILE 80 1HD1 ILE 80 -8.249 -20.392 17.330 530 2HD1 ILE 80 2HD1 ILE 80 -8.618 -18.787 16.701 531 3HD1 ILE 80 3HD1 ILE 80 -8.941 -19.166 18.393 532 H ASP 81 H ASP 81 -12.443 -22.921 14.486 533 HA ASP 81 HA ASP 81 -12.434 -25.793 15.225 534 1HB ASP 81 1HB ASP 81 -14.330 -25.026 13.992 535 2HB ASP 81 2HB ASP 81 -13.318 -24.137 12.852 536 H MET 82 H MET 82 -10.893 -27.243 14.437 537 HA MET 82 HA MET 82 -8.919 -26.245 12.425 538 1HB MET 82 1HB MET 82 -8.327 -26.013 14.973 539 2HB MET 82 2HB MET 82 -8.055 -27.753 14.883 540 1HG MET 82 1HG MET 82 -6.683 -27.030 12.698 541 2HG MET 82 2HG MET 82 -6.536 -25.524 13.605 542 1HE MET 82 1HE MET 82 -5.846 -25.428 16.105 543 2HE MET 82 2HE MET 82 -4.238 -26.091 16.384 544 3HE MET 82 3HE MET 82 -4.557 -25.113 14.945 545 H ASP 83 H ASP 83 -7.834 -27.984 11.288 546 HA ASP 83 HA ASP 83 -9.438 -30.314 10.784 547 1HB ASP 83 1HB ASP 83 -6.816 -29.162 10.001 548 2HB ASP 83 2HB ASP 83 -6.983 -30.903 9.772 549 H MET 84 H MET 84 -8.166 -32.572 10.871 550 HA MET 84 HA MET 84 -7.789 -33.197 13.688 551 1HB MET 84 1HB MET 84 -7.434 -35.470 12.762 552 2HB MET 84 2HB MET 84 -8.843 -34.699 12.033 553 1HG MET 84 1HG MET 84 -6.914 -33.857 10.325 554 2HG MET 84 2HG MET 84 -6.228 -35.405 10.818 555 1HE MET 84 1HE MET 84 -6.413 -37.134 9.316 556 2HE MET 84 2HE MET 84 -7.564 -37.250 7.979 557 3HE MET 84 3HE MET 84 -6.479 -35.867 8.093 558 H GLN 85 H GLN 85 -5.906 -31.648 13.990 559 HA GLN 85 HA GLN 85 -3.374 -33.108 13.788 560 1HB GLN 85 1HB GLN 85 -4.014 -31.850 11.544 561 2HB GLN 85 2HB GLN 85 -3.438 -30.434 12.424 562 1HG GLN 85 1HG GLN 85 -1.459 -31.167 11.446 563 2HG GLN 85 2HG GLN 85 -1.392 -32.013 12.992 564 2HE2 GLN 85 2HE2 GLN 85 -0.056 -33.039 10.665 565 1HE2 GLN 85 1HE2 GLN 85 -0.821 -34.482 10.205 566 H GLN 86 H GLN 86 -1.662 -31.973 15.002 567 HA GLN 86 HA GLN 86 -2.337 -29.475 16.400 568 1HB GLN 86 1HB GLN 86 -2.267 -30.591 18.634 569 2HB GLN 86 2HB GLN 86 -3.613 -31.157 17.645 570 1HG GLN 86 1HG GLN 86 -1.217 -32.723 17.142 571 2HG GLN 86 2HG GLN 86 -1.642 -32.748 18.853 572 2HE2 GLN 86 2HE2 GLN 86 -1.990 -34.819 16.557 573 1HE2 GLN 86 1HE2 GLN 86 -3.621 -35.274 16.678 574 H ILE 87 H ILE 87 -0.289 -28.824 15.440 575 HA ILE 87 HA ILE 87 2.171 -30.282 15.864 576 HB ILE 87 HB ILE 87 3.159 -28.306 14.891 577 1HG1 ILE 87 1HG1 ILE 87 1.433 -26.298 14.615 578 2HG1 ILE 87 2HG1 ILE 87 0.745 -26.999 16.080 579 1HG2 ILE 87 1HG2 ILE 87 0.700 -29.448 13.853 580 2HG2 ILE 87 2HG2 ILE 87 0.889 -27.777 13.322 581 3HG2 ILE 87 3HG2 ILE 87 2.153 -28.958 12.982 582 1HD1 ILE 87 1HD1 ILE 87 3.658 -26.838 16.207 583 2HD1 ILE 87 2HD1 ILE 87 2.918 -25.256 15.964 584 3HD1 ILE 87 3HD1 ILE 87 2.454 -26.242 17.349 585 H LEU 88 H LEU 88 0.319 -28.027 17.778 586 HA LEU 88 HA LEU 88 2.583 -27.520 19.634 587 1HB LEU 88 1HB LEU 88 0.999 -25.923 20.616 588 2HB LEU 88 2HB LEU 88 1.026 -25.722 18.865 589 HG LEU 88 HG LEU 88 -0.920 -27.730 19.708 590 1HD1 LEU 88 1HD1 LEU 88 -1.053 -24.937 20.852 591 2HD1 LEU 88 2HD1 LEU 88 -2.509 -25.892 20.571 592 3HD1 LEU 88 3HD1 LEU 88 -1.276 -26.473 21.690 593 1HD2 LEU 88 1HD2 LEU 88 -0.650 -25.428 17.866 594 2HD2 LEU 88 2HD2 LEU 88 -1.399 -27.003 17.598 595 3HD2 LEU 88 3HD2 LEU 88 -2.288 -25.736 18.445 596 H SER 89 H SER 89 1.670 -27.575 22.080 597 HA SER 89 HA SER 89 0.774 -30.377 22.514 598 1HB SER 89 1HB SER 89 2.836 -29.266 23.557 599 2HB SER 89 2HB SER 89 1.708 -28.323 24.532 600 HG SER 89 HG SER 89 2.574 -30.765 24.980 601 H ASP 90 H ASP 90 -0.926 -30.782 24.146 602 HA ASP 90 HA ASP 90 -3.301 -29.273 23.773 603 1HB ASP 90 1HB ASP 90 -2.272 -31.380 25.614 604 2HB ASP 90 2HB ASP 90 -3.755 -30.556 26.095 605 H GLU 91 H GLU 91 -0.936 -29.199 26.435 606 HA GLU 91 HA GLU 91 -2.243 -27.353 28.135 607 1HB GLU 91 1HB GLU 91 0.000 -28.762 28.260 608 2HB GLU 91 2HB GLU 91 0.723 -27.260 27.682 609 1HG GLU 91 1HG GLU 91 0.471 -26.261 29.695 610 2HG GLU 91 2HG GLU 91 -1.204 -26.800 29.829 611 H GLU 92 H GLU 92 -0.603 -26.866 25.087 612 HA GLU 92 HA GLU 92 -0.231 -23.988 25.375 613 1HB GLU 92 1HB GLU 92 0.423 -26.127 23.578 614 2HB GLU 92 2HB GLU 92 -0.335 -24.833 22.650 615 1HG GLU 92 1HG GLU 92 1.476 -23.503 22.876 616 2HG GLU 92 2HG GLU 92 1.544 -23.785 24.616 617 H VAL 93 H VAL 93 -2.667 -26.103 23.863 618 HA VAL 93 HA VAL 93 -4.209 -23.911 22.728 619 HB VAL 93 HB VAL 93 -4.089 -26.351 21.989 620 1HG1 VAL 93 1HG1 VAL 93 -5.023 -26.701 24.682 621 2HG1 VAL 93 2HG1 VAL 93 -6.245 -27.317 23.572 622 3HG1 VAL 93 3HG1 VAL 93 -4.596 -27.937 23.501 623 1HG2 VAL 93 1HG2 VAL 93 -6.800 -25.113 22.555 624 2HG2 VAL 93 2HG2 VAL 93 -5.815 -24.866 21.113 625 3HG2 VAL 93 3HG2 VAL 93 -6.524 -26.448 21.435 626 H GLU 94 H GLU 94 -3.910 -25.288 25.864 627 HA GLU 94 HA GLU 94 -6.545 -24.158 26.724 628 1HB GLU 94 1HB GLU 94 -5.453 -26.623 27.084 629 2HB GLU 94 2HB GLU 94 -4.877 -25.812 28.539 630 1HG GLU 94 1HG GLU 94 -7.106 -25.268 29.227 631 2HG GLU 94 2HG GLU 94 -7.771 -25.728 27.659 632 H GLU 95 H GLU 95 -3.059 -24.152 27.419 633 HA GLU 95 HA GLU 95 -3.455 -22.003 29.449 634 1HB GLU 95 1HB GLU 95 -2.043 -24.219 29.636 635 2HB GLU 95 2HB GLU 95 -0.841 -23.304 28.726 636 1HG GLU 95 1HG GLU 95 -0.199 -22.352 30.665 637 2HG GLU 95 2HG GLU 95 -1.770 -21.551 30.729 638 H LYS 96 H LYS 96 -1.701 -22.691 26.415 639 HA LYS 96 HA LYS 96 -0.769 -19.873 26.280 640 1HB LYS 96 1HB LYS 96 0.517 -22.120 25.779 641 2HB LYS 96 2HB LYS 96 -0.283 -21.999 24.212 642 1HG LYS 96 1HG LYS 96 0.765 -19.937 23.710 643 2HG LYS 96 2HG LYS 96 1.216 -19.660 25.392 644 1HD LYS 96 1HD LYS 96 2.524 -21.962 25.027 645 2HD LYS 96 2HD LYS 96 2.497 -21.424 23.348 646 1HE LYS 96 1HE LYS 96 4.492 -20.459 24.190 647 2HE LYS 96 2HE LYS 96 3.323 -19.133 24.340 648 1HZ LYS 96 1HZ LYS 96 2.814 -20.324 26.595 649 2HZ LYS 96 2HZ LYS 96 4.394 -20.923 26.416 650 3HZ LYS 96 3HZ LYS 96 4.122 -19.248 26.479 651 H ASP 97 H ASP 97 -3.515 -21.547 25.421 652 HA ASP 97 HA ASP 97 -5.163 -21.260 23.728 653 1HB ASP 97 1HB ASP 97 -4.512 -18.372 23.576 654 2HB ASP 97 2HB ASP 97 -6.020 -19.166 24.028 655 H VAL 98 H VAL 98 -2.584 -21.951 22.613 656 HA VAL 98 HA VAL 98 -2.118 -20.109 20.363 657 HB VAL 98 HB VAL 98 -0.950 -22.713 21.362 658 1HG1 VAL 98 1HG1 VAL 98 -0.179 -21.178 18.860 659 2HG1 VAL 98 2HG1 VAL 98 0.705 -22.549 19.533 660 3HG1 VAL 98 3HG1 VAL 98 -0.924 -22.776 18.897 661 1HG2 VAL 98 1HG2 VAL 98 -0.475 -20.322 22.321 662 2HG2 VAL 98 2HG2 VAL 98 0.882 -21.403 22.008 663 3HG2 VAL 98 3HG2 VAL 98 0.493 -20.121 20.861 664 H ARG 99 H ARG 99 -2.333 -20.781 18.133 665 HA ARG 99 HA ARG 99 -3.773 -23.258 17.476 666 1HB ARG 99 1HB ARG 99 -5.253 -21.100 18.311 667 2HB ARG 99 2HB ARG 99 -5.218 -20.846 16.565 668 1HG ARG 99 1HG ARG 99 -7.065 -22.244 16.756 669 2HG ARG 99 2HG ARG 99 -5.786 -23.431 16.500 670 1HD ARG 99 1HD ARG 99 -5.660 -23.927 18.852 671 2HD ARG 99 2HD ARG 99 -6.688 -22.540 19.259 672 HE ARG 99 HE ARG 99 -8.093 -24.181 17.394 673 1HH1 ARG 99 1HH1 ARG 99 -7.594 -23.531 20.682 674 2HH1 ARG 99 2HH1 ARG 99 -8.512 -24.883 21.256 675 1HH2 ARG 99 1HH2 ARG 99 -8.993 -26.235 18.101 676 2HH2 ARG 99 2HH2 ARG 99 -9.304 -26.413 19.795 677 H LEU 100 H LEU 100 -4.209 -23.275 15.023 678 HA LEU 100 HA LEU 100 -1.905 -21.981 13.651 679 1HB LEU 100 1HB LEU 100 -3.723 -24.332 13.203 680 2HB LEU 100 2HB LEU 100 -2.843 -23.654 11.833 681 HG LEU 100 HG LEU 100 -0.731 -23.849 13.215 682 1HD1 LEU 100 1HD1 LEU 100 -2.716 -24.649 15.180 683 2HD1 LEU 100 2HD1 LEU 100 -1.488 -25.899 14.978 684 3HD1 LEU 100 3HD1 LEU 100 -1.013 -24.258 15.415 685 1HD2 LEU 100 1HD2 LEU 100 -1.564 -25.548 11.492 686 2HD2 LEU 100 2HD2 LEU 100 -0.413 -26.156 12.682 687 3HD2 LEU 100 3HD2 LEU 100 -2.133 -26.506 12.859 688 H THR 101 H THR 101 -2.479 -19.945 12.920 689 HA THR 101 HA THR 101 -5.151 -19.154 12.203 690 HB THR 101 HB THR 101 -3.969 -17.150 11.363 691 HG1 THR 101 HG1 THR 101 -1.604 -18.616 11.887 692 1HG2 THR 101 1HG2 THR 101 -2.743 -18.299 13.886 693 2HG2 THR 101 2HG2 THR 101 -2.755 -16.594 13.438 694 3HG2 THR 101 3HG2 THR 101 -4.270 -17.423 13.793 695 H CYS 102 H CYS 102 -2.436 -20.478 10.361 696 HA CYS 102 HA CYS 102 -3.670 -20.010 7.757 697 1HB CYS 102 1HB CYS 102 -1.711 -21.139 6.952 698 2HB CYS 102 2HB CYS 102 -1.191 -20.208 8.356 699 H ILE 103 H ILE 103 -4.056 -22.340 10.251 700 HA ILE 103 HA ILE 103 -5.605 -24.102 8.382 701 HB ILE 103 HB ILE 103 -3.612 -24.793 10.554 702 1HG1 ILE 103 1HG1 ILE 103 -2.926 -24.232 8.130 703 2HG1 ILE 103 2HG1 ILE 103 -2.323 -25.740 8.814 704 1HG2 ILE 103 1HG2 ILE 103 -5.806 -26.404 9.307 705 2HG2 ILE 103 2HG2 ILE 103 -4.270 -27.203 9.643 706 3HG2 ILE 103 3HG2 ILE 103 -5.179 -26.452 10.954 707 1HD1 ILE 103 1HD1 ILE 103 -4.866 -25.577 7.176 708 2HD1 ILE 103 2HD1 ILE 103 -3.289 -25.914 6.462 709 3HD1 ILE 103 3HD1 ILE 103 -3.979 -27.027 7.644 710 H GLY 104 H GLY 104 -6.137 -21.949 10.638 711 1HA GLY 104 1HA GLY 104 -7.201 -22.358 12.915 712 2HA GLY 104 2HA GLY 104 -8.074 -23.672 12.131 713 H SER 105 H SER 105 -10.165 -22.943 12.202 714 HA SER 105 HA SER 105 -10.727 -20.244 11.014 715 1HB SER 105 1HB SER 105 -12.421 -22.752 10.816 716 2HB SER 105 2HB SER 105 -12.602 -21.264 9.888 717 HG SER 105 HG SER 105 -11.358 -23.264 9.044 718 HA PRO 106 HA PRO 106 -12.801 -19.553 14.845 719 1HB PRO 106 1HB PRO 106 -14.400 -17.466 14.071 720 2HB PRO 106 2HB PRO 106 -12.661 -17.297 14.380 721 1HG PRO 106 1HG PRO 106 -14.114 -17.568 11.789 722 2HG PRO 106 2HG PRO 106 -12.737 -16.539 12.205 723 1HD PRO 106 1HD PRO 106 -12.491 -18.873 10.823 724 2HD PRO 106 2HD PRO 106 -11.213 -18.228 11.876 725 H ALA 107 H ALA 107 -14.378 -20.932 15.550 726 HA ALA 107 HA ALA 107 -16.659 -21.597 13.768 727 1HB ALA 107 1HB ALA 107 -16.956 -23.439 15.367 728 2HB ALA 107 2HB ALA 107 -15.760 -22.714 16.443 729 3HB ALA 107 3HB ALA 107 -15.265 -23.346 14.871 730 H ALA 108 H ALA 108 -16.003 -20.297 17.009 731 HA ALA 108 HA ALA 108 -18.803 -19.939 17.702 732 1HB ALA 108 1HB ALA 108 -16.115 -19.101 18.766 733 2HB ALA 108 2HB ALA 108 -17.581 -18.411 19.460 734 3HB ALA 108 3HB ALA 108 -17.319 -20.154 19.508 735 H ASP 109 H ASP 109 -19.727 -17.721 18.112 736 HA ASP 109 HA ASP 109 -19.472 -16.031 15.767 737 1HB ASP 109 1HB ASP 109 -21.027 -16.168 18.303 738 2HB ASP 109 2HB ASP 109 -20.923 -14.584 17.531 739 H GLU 110 H GLU 110 -19.218 -14.962 19.162 740 HA GLU 110 HA GLU 110 -17.243 -12.911 18.368 741 1HB GLU 110 1HB GLU 110 -19.175 -13.448 20.509 742 2HB GLU 110 2HB GLU 110 -17.650 -12.799 21.113 743 1HG GLU 110 1HG GLU 110 -17.807 -10.924 19.529 744 2HG GLU 110 2HG GLU 110 -19.312 -11.581 18.886 745 H VAL 111 H VAL 111 -15.150 -13.692 18.221 746 HA VAL 111 HA VAL 111 -14.161 -15.385 20.493 747 HB VAL 111 HB VAL 111 -13.448 -15.513 17.544 748 1HG1 VAL 111 1HG1 VAL 111 -11.717 -16.149 19.390 749 2HG1 VAL 111 2HG1 VAL 111 -12.754 -17.552 19.651 750 3HG1 VAL 111 3HG1 VAL 111 -12.003 -17.290 18.077 751 1HG2 VAL 111 1HG2 VAL 111 -15.550 -16.755 19.159 752 2HG2 VAL 111 2HG2 VAL 111 -15.370 -16.699 17.406 753 3HG2 VAL 111 3HG2 VAL 111 -14.537 -17.942 18.338 754 H LYS 112 H LYS 112 -12.234 -14.694 21.396 755 HA LYS 112 HA LYS 112 -10.956 -12.272 20.183 756 1HB LYS 112 1HB LYS 112 -10.982 -13.386 23.009 757 2HB LYS 112 2HB LYS 112 -10.209 -11.877 22.521 758 1HG LYS 112 1HG LYS 112 -12.477 -11.122 21.659 759 2HG LYS 112 2HG LYS 112 -13.164 -12.541 22.449 760 1HD LYS 112 1HD LYS 112 -11.532 -11.385 24.403 761 2HD LYS 112 2HD LYS 112 -12.309 -10.010 23.618 762 1HE LYS 112 1HE LYS 112 -14.074 -12.333 24.227 763 2HE LYS 112 2HE LYS 112 -13.504 -11.385 25.615 764 1HZ LYS 112 1HZ LYS 112 -14.642 -10.198 23.136 765 2HZ LYS 112 2HZ LYS 112 -15.551 -10.482 24.543 766 3HZ LYS 112 3HZ LYS 112 -14.256 -9.383 24.576 767 H ILE 113 H ILE 113 -8.751 -12.361 19.696 768 HA ILE 113 HA ILE 113 -7.045 -14.525 20.709 769 HB ILE 113 HB ILE 113 -8.226 -15.684 18.951 770 1HG1 ILE 113 1HG1 ILE 113 -5.633 -14.743 17.704 771 2HG1 ILE 113 2HG1 ILE 113 -5.679 -15.855 19.073 772 1HG2 ILE 113 1HG2 ILE 113 -8.143 -13.049 17.730 773 2HG2 ILE 113 2HG2 ILE 113 -7.597 -14.285 16.596 774 3HG2 ILE 113 3HG2 ILE 113 -9.187 -14.417 17.348 775 1HD1 ILE 113 1HD1 ILE 113 -7.227 -17.318 17.679 776 2HD1 ILE 113 2HD1 ILE 113 -6.835 -16.280 16.307 777 3HD1 ILE 113 3HD1 ILE 113 -5.565 -17.213 17.098 778 H VAL 114 H VAL 114 -4.810 -14.150 20.240 779 HA VAL 114 HA VAL 114 -4.233 -11.365 19.355 780 HB VAL 114 HB VAL 114 -3.185 -13.302 21.317 781 1HG1 VAL 114 1HG1 VAL 114 -1.302 -13.297 19.673 782 2HG1 VAL 114 2HG1 VAL 114 -1.213 -11.542 19.825 783 3HG1 VAL 114 3HG1 VAL 114 -0.859 -12.567 21.216 784 1HG2 VAL 114 1HG2 VAL 114 -4.260 -10.993 21.666 785 2HG2 VAL 114 2HG2 VAL 114 -2.794 -11.334 22.585 786 3HG2 VAL 114 3HG2 VAL 114 -2.714 -10.325 21.140 787 H TYR 115 H TYR 115 -2.939 -11.017 17.519 788 HA TYR 115 HA TYR 115 -2.258 -13.457 15.944 789 1HB TYR 115 1HB TYR 115 -2.816 -12.202 14.096 790 2HB TYR 115 2HB TYR 115 -3.743 -11.306 15.294 791 HD1 TYR 115 HD1 TYR 115 -2.156 -9.492 16.632 792 HD2 TYR 115 HD2 TYR 115 -1.589 -10.913 12.614 793 HE1 TYR 115 HE1 TYR 115 -0.853 -7.460 16.102 794 HE2 TYR 115 HE2 TYR 115 -0.286 -8.870 12.082 795 HH TYR 115 HH TYR 115 -0.312 -6.329 13.213 796 H ASN 116 H ASN 116 -0.191 -13.499 14.797 797 HA ASN 116 HA ASN 116 2.129 -13.086 14.539 798 1HB ASN 116 1HB ASN 116 0.986 -10.633 15.327 799 2HB ASN 116 2HB ASN 116 2.373 -10.864 16.390 800 2HD2 ASN 116 2HD2 ASN 116 3.655 -9.225 15.279 801 1HD2 ASN 116 1HD2 ASN 116 4.269 -9.485 13.717 802 H ALA 117 H ALA 117 1.530 -15.093 16.198 803 HA ALA 117 HA ALA 117 2.443 -14.721 18.942 804 1HB ALA 117 1HB ALA 117 2.023 -17.066 19.093 805 2HB ALA 117 2HB ALA 117 0.835 -16.464 17.937 806 3HB ALA 117 3HB ALA 117 2.279 -17.297 17.363 807 H LYS 118 H LYS 118 3.954 -15.597 15.891 808 HA LYS 118 HA LYS 118 6.293 -16.894 16.594 809 1HB LYS 118 1HB LYS 118 7.305 -15.433 14.734 810 2HB LYS 118 2HB LYS 118 5.844 -16.327 14.317 811 1HG LYS 118 1HG LYS 118 4.972 -14.345 13.672 812 2HG LYS 118 2HG LYS 118 4.876 -13.939 15.383 813 1HD LYS 118 1HD LYS 118 6.088 -12.155 14.344 814 2HD LYS 118 2HD LYS 118 7.284 -13.128 15.200 815 1HE LYS 118 1HE LYS 118 8.266 -13.858 13.253 816 2HE LYS 118 2HE LYS 118 6.721 -13.926 12.385 817 H HIS 119 H HIS 119 5.379 -13.603 17.390 818 HA HIS 119 HA HIS 119 7.940 -12.532 18.049 819 1HB HIS 119 1HB HIS 119 5.083 -12.054 18.871 820 2HB HIS 119 2HB HIS 119 6.383 -11.148 19.649 821 HD1 HIS 119 HD1 HIS 119 8.260 -10.500 17.422 822 HD2 HIS 119 HD2 HIS 119 4.127 -10.396 16.880 823 HE1 HIS 119 HE1 HIS 119 7.836 -9.001 15.423 824 H LEU 120 H LEU 120 5.880 -14.826 19.702 825 HA LEU 120 HA LEU 120 6.495 -14.691 22.378 826 1HB LEU 120 1HB LEU 120 5.602 -16.600 20.542 827 2HB LEU 120 2HB LEU 120 6.989 -17.367 21.313 828 HG LEU 120 HG LEU 120 4.813 -17.776 22.508 829 1HD1 LEU 120 1HD1 LEU 120 7.336 -16.924 23.570 830 2HD1 LEU 120 2HD1 LEU 120 6.055 -16.336 24.631 831 3HD1 LEU 120 3HD1 LEU 120 6.182 -18.058 24.270 832 1HD2 LEU 120 1HD2 LEU 120 4.607 -14.944 22.156 833 2HD2 LEU 120 2HD2 LEU 120 3.424 -16.043 22.866 834 3HD2 LEU 120 3HD2 LEU 120 4.644 -15.281 23.886 835 H ASP 121 H ASP 121 8.546 -13.778 22.860 836 HA ASP 121 HA ASP 121 11.052 -14.234 21.813 837 1HB ASP 121 1HB ASP 121 10.307 -12.780 23.763 838 2HB ASP 121 2HB ASP 121 10.431 -14.217 24.778 839 H TYR 122 H TYR 122 9.214 -16.471 23.856 840 HA TYR 122 HA TYR 122 11.410 -18.292 24.362 841 1HB TYR 122 1HB TYR 122 8.645 -17.933 25.018 842 2HB TYR 122 2HB TYR 122 8.864 -19.587 24.444 843 HD1 TYR 122 HD1 TYR 122 10.945 -20.870 25.397 844 HD2 TYR 122 HD2 TYR 122 9.199 -17.399 27.228 845 HE1 TYR 122 HE1 TYR 122 12.000 -21.480 27.556 846 HE2 TYR 122 HE2 TYR 122 10.253 -18.009 29.389 847 HH TYR 122 HH TYR 122 11.282 -20.851 30.193 848 H LEU 123 H LEU 123 9.658 -17.611 21.537 849 HA LEU 123 HA LEU 123 10.419 -20.275 20.386 850 1HB LEU 123 1HB LEU 123 7.909 -18.636 20.257 851 2HB LEU 123 2HB LEU 123 8.325 -19.661 18.883 852 HG LEU 123 HG LEU 123 8.765 -21.240 21.182 853 1HD1 LEU 123 1HD1 LEU 123 7.351 -19.492 22.349 854 2HD1 LEU 123 2HD1 LEU 123 6.028 -19.945 21.274 855 3HD1 LEU 123 3HD1 LEU 123 6.690 -21.127 22.403 856 1HD2 LEU 123 1HD2 LEU 123 7.134 -21.205 18.766 857 2HD2 LEU 123 2HD2 LEU 123 7.875 -22.575 19.594 858 3HD2 LEU 123 3HD2 LEU 123 6.295 -21.984 20.108 859 H GLN 124 H GLN 124 9.971 -16.798 19.832 860 HA GLN 124 HA GLN 124 10.600 -16.532 17.129 861 1HB GLN 124 1HB GLN 124 10.003 -14.650 18.498 862 2HB GLN 124 2HB GLN 124 11.381 -14.913 19.565 863 1HG GLN 124 1HG GLN 124 12.034 -13.118 18.146 864 2HG GLN 124 2HG GLN 124 12.852 -14.537 17.491 865 2HE2 GLN 124 2HE2 GLN 124 11.611 -15.675 15.640 866 1HE2 GLN 124 1HE2 GLN 124 10.729 -14.692 14.575 867 H ASN 125 H ASN 125 12.847 -17.040 19.835 868 HA ASN 125 HA ASN 125 15.290 -16.713 18.397 869 1HB ASN 125 1HB ASN 125 14.800 -16.904 20.914 870 2HB ASN 125 2HB ASN 125 14.783 -18.650 20.665 871 2HD2 ASN 125 2HD2 ASN 125 16.898 -16.056 19.302 872 1HD2 ASN 125 1HD2 ASN 125 18.352 -16.781 19.795 873 H ARG 126 H ARG 126 12.963 -19.317 18.430 874 HA ARG 126 HA ARG 126 14.764 -21.394 17.464 875 1HB ARG 126 1HB ARG 126 12.087 -21.084 18.391 876 2HB ARG 126 2HB ARG 126 12.003 -21.831 16.796 877 1HG ARG 126 1HG ARG 126 12.685 -23.794 17.659 878 2HG ARG 126 2HG ARG 126 14.157 -23.033 18.260 879 1HD ARG 126 1HD ARG 126 13.345 -22.911 20.393 880 2HD ARG 126 2HD ARG 126 11.737 -22.405 19.841 881 HE ARG 126 HE ARG 126 12.558 -25.225 19.355 882 1HH1 ARG 126 1HH1 ARG 126 9.794 -23.645 19.361 883 2HH1 ARG 126 2HH1 ARG 126 9.033 -24.452 20.690 884 1HH2 ARG 126 1HH2 ARG 126 11.955 -25.956 21.796 885 2HH2 ARG 126 2HH2 ARG 126 10.256 -25.761 22.068 886 H VAL 127 H VAL 127 12.951 -18.803 15.990 887 HA VAL 127 HA VAL 127 12.658 -19.868 13.345 888 HB VAL 127 HB VAL 127 12.930 -17.068 14.476 889 1HG1 VAL 127 1HG1 VAL 127 13.428 -17.521 11.906 890 2HG1 VAL 127 2HG1 VAL 127 11.671 -17.635 11.817 891 3HG1 VAL 127 3HG1 VAL 127 12.431 -16.154 12.401 892 1HG2 VAL 127 1HG2 VAL 127 10.864 -19.020 14.518 893 2HG2 VAL 127 2HG2 VAL 127 10.774 -17.346 15.063 894 3HG2 VAL 127 3HG2 VAL 127 10.355 -17.756 13.399 895 H ILE 128 H ILE 128 14.095 -19.886 11.607 896 HA ILE 128 HA ILE 128 16.942 -19.617 12.184 897 HB ILE 128 HB ILE 128 15.950 -21.344 10.712 898 1HG1 ILE 128 1HG1 ILE 128 17.475 -19.765 8.733 899 2HG1 ILE 128 2HG1 ILE 128 18.269 -19.961 10.296 900 1HG2 ILE 128 1HG2 ILE 128 14.518 -19.126 9.699 901 2HG2 ILE 128 2HG2 ILE 128 15.536 -19.697 8.379 902 3HG2 ILE 128 3HG2 ILE 128 14.408 -20.803 9.163 903 1HD1 ILE 128 1HD1 ILE 128 17.137 -22.479 9.618 904 2HD1 ILE 128 2HD1 ILE 128 17.977 -21.889 8.184 905 3HD1 ILE 128 3HD1 ILE 128 18.847 -22.056 9.710 No H/Q in entry = 905 Start of MODEL 17 1 H2 PRO 1 H2 PRO 1 -20.469 -14.340 13.601 2 H3 PRO 1 H3 PRO 1 -20.834 -15.962 13.962 3 HA PRO 1 HA PRO 1 -18.676 -16.426 13.855 4 1HB PRO 1 1HB PRO 1 -17.909 -15.964 11.268 5 2HB PRO 1 2HB PRO 1 -18.949 -17.321 11.742 6 1HG PRO 1 1HG PRO 1 -19.682 -14.692 10.544 7 2HG PRO 1 2HG PRO 1 -20.329 -16.303 10.204 8 1HD PRO 1 1HD PRO 1 -21.605 -14.478 11.770 9 2HD PRO 1 2HD PRO 1 -21.778 -16.232 11.983 10 H THR 2 H THR 2 -18.476 -14.284 15.219 11 HA THR 2 HA THR 2 -16.866 -12.243 13.731 12 HB THR 2 HB THR 2 -18.418 -12.203 16.338 13 HG1 THR 2 HG1 THR 2 -19.935 -11.517 15.088 14 1HG2 THR 2 1HG2 THR 2 -16.286 -10.813 16.317 15 2HG2 THR 2 2HG2 THR 2 -17.016 -9.874 15.014 16 3HG2 THR 2 3HG2 THR 2 -17.776 -9.916 16.606 17 H VAL 3 H VAL 3 -14.755 -11.823 14.412 18 HA VAL 3 HA VAL 3 -13.750 -13.355 16.787 19 HB VAL 3 HB VAL 3 -12.207 -12.904 14.225 20 1HG1 VAL 3 1HG1 VAL 3 -11.847 -14.361 16.766 21 2HG1 VAL 3 2HG1 VAL 3 -11.442 -15.297 15.326 22 3HG1 VAL 3 3HG1 VAL 3 -10.636 -13.758 15.632 23 1HG2 VAL 3 1HG2 VAL 3 -14.321 -14.087 13.682 24 2HG2 VAL 3 2HG2 VAL 3 -12.919 -15.140 13.498 25 3HG2 VAL 3 3HG2 VAL 3 -13.952 -15.288 14.920 26 H GLU 4 H GLU 4 -11.468 -12.436 17.389 27 HA GLU 4 HA GLU 4 -11.193 -9.537 16.776 28 1HB GLU 4 1HB GLU 4 -12.643 -10.368 18.928 29 2HB GLU 4 2HB GLU 4 -11.032 -10.285 19.643 30 1HG GLU 4 1HG GLU 4 -10.790 -7.978 19.059 31 2HG GLU 4 2HG GLU 4 -12.198 -8.027 17.998 32 H TYR 5 H TYR 5 -9.079 -9.506 16.088 33 HA TYR 5 HA TYR 5 -7.090 -11.299 17.377 34 1HB TYR 5 1HB TYR 5 -5.693 -10.515 15.460 35 2HB TYR 5 2HB TYR 5 -7.234 -11.195 14.937 36 HD1 TYR 5 HD1 TYR 5 -5.562 -7.958 15.781 37 HD2 TYR 5 HD2 TYR 5 -8.721 -9.920 13.634 38 HE1 TYR 5 HE1 TYR 5 -6.119 -5.823 14.652 39 HE2 TYR 5 HE2 TYR 5 -9.279 -7.785 12.502 40 HH TYR 5 HH TYR 5 -8.782 -5.639 12.279 41 H LEU 6 H LEU 6 -5.322 -10.505 18.547 42 HA LEU 6 HA LEU 6 -5.122 -7.538 18.916 43 1HB LEU 6 1HB LEU 6 -6.376 -9.137 20.676 44 2HB LEU 6 2HB LEU 6 -4.723 -9.364 21.242 45 HG LEU 6 HG LEU 6 -6.216 -6.742 20.958 46 1HD1 LEU 6 1HD1 LEU 6 -6.002 -8.587 23.065 47 2HD1 LEU 6 2HD1 LEU 6 -4.874 -7.295 23.474 48 3HD1 LEU 6 3HD1 LEU 6 -6.572 -6.922 23.178 49 1HD2 LEU 6 1HD2 LEU 6 -3.306 -7.380 21.192 50 2HD2 LEU 6 2HD2 LEU 6 -4.097 -6.042 20.359 51 3HD2 LEU 6 3HD2 LEU 6 -3.923 -6.009 22.114 52 H ASN 7 H ASN 7 -2.990 -6.819 19.001 53 HA ASN 7 HA ASN 7 -0.833 -8.601 18.280 54 1HB ASN 7 1HB ASN 7 -0.969 -6.217 17.677 55 2HB ASN 7 2HB ASN 7 -0.888 -5.773 19.380 56 2HD2 ASN 7 2HD2 ASN 7 1.122 -4.610 18.154 57 1HD2 ASN 7 1HD2 ASN 7 2.583 -5.464 18.267 58 H TYR 8 H TYR 8 0.048 -10.051 19.734 59 HA TYR 8 HA TYR 8 -0.318 -9.906 22.571 60 1HB TYR 8 1HB TYR 8 0.192 -11.994 21.538 61 2HB TYR 8 2HB TYR 8 1.623 -11.332 20.745 62 HD1 TYR 8 HD1 TYR 8 3.599 -10.624 22.153 63 HD2 TYR 8 HD2 TYR 8 0.303 -12.863 23.757 64 HE1 TYR 8 HE1 TYR 8 4.995 -11.285 24.086 65 HE2 TYR 8 HE2 TYR 8 1.700 -13.521 25.700 66 HH TYR 8 HH TYR 8 4.189 -12.096 26.740 67 H GLU 9 H GLU 9 2.339 -8.794 20.478 68 HA GLU 9 HA GLU 9 4.233 -8.113 22.476 69 1HB GLU 9 1HB GLU 9 4.003 -7.975 19.746 70 2HB GLU 9 2HB GLU 9 3.946 -6.267 20.183 71 1HG GLU 9 1HG GLU 9 5.981 -7.158 21.784 72 2HG GLU 9 2HG GLU 9 6.185 -8.187 20.366 73 H THR 10 H THR 10 1.318 -6.443 21.403 74 HA THR 10 HA THR 10 1.871 -3.892 22.626 75 HB THR 10 HB THR 10 -0.577 -5.407 21.714 76 HG1 THR 10 HG1 THR 10 0.516 -4.548 20.052 77 1HG2 THR 10 1HG2 THR 10 -0.458 -3.092 23.505 78 2HG2 THR 10 2HG2 THR 10 -1.393 -2.783 22.041 79 3HG2 THR 10 3HG2 THR 10 -1.827 -4.128 23.097 80 H LEU 11 H LEU 11 0.464 -6.911 23.813 81 HA LEU 11 HA LEU 11 -0.587 -5.878 26.290 82 1HB LEU 11 1HB LEU 11 -1.399 -7.954 25.492 83 2HB LEU 11 2HB LEU 11 0.225 -8.572 25.193 84 HG LEU 11 HG LEU 11 0.658 -8.670 27.604 85 1HD1 LEU 11 1HD1 LEU 11 -0.769 -6.709 28.201 86 2HD1 LEU 11 2HD1 LEU 11 -2.200 -7.701 27.916 87 3HD1 LEU 11 3HD1 LEU 11 -1.087 -8.114 29.220 88 1HD2 LEU 11 1HD2 LEU 11 -0.493 -10.578 26.445 89 2HD2 LEU 11 2HD2 LEU 11 -0.869 -10.474 28.165 90 3HD2 LEU 11 3HD2 LEU 11 -2.037 -9.908 26.970 91 H ASP 12 H ASP 12 2.501 -7.502 25.465 92 HA ASP 12 HA ASP 12 3.544 -7.290 28.179 93 1HB ASP 12 1HB ASP 12 4.705 -7.945 25.457 94 2HB ASP 12 2HB ASP 12 5.655 -8.014 26.942 95 H ASP 13 H ASP 13 4.210 -5.581 25.101 96 HA ASP 13 HA ASP 13 6.230 -3.828 25.926 97 1HB ASP 13 1HB ASP 13 5.098 -4.173 23.651 98 2HB ASP 13 2HB ASP 13 3.859 -3.049 24.212 99 H GLN 14 H GLN 14 2.736 -2.983 25.902 100 HA GLN 14 HA GLN 14 3.021 -0.602 27.452 101 1HB GLN 14 1HB GLN 14 1.035 -2.015 26.106 102 2HB GLN 14 2HB GLN 14 0.499 -2.051 27.786 103 1HG GLN 14 1HG GLN 14 -0.325 0.024 27.367 104 2HG GLN 14 2HG GLN 14 1.351 0.555 27.504 105 2HE2 GLN 14 2HE2 GLN 14 -1.005 1.412 25.655 106 1HE2 GLN 14 1HE2 GLN 14 -0.319 1.378 24.103 107 H GLY 15 H GLY 15 2.571 -3.987 28.387 108 1HA GLY 15 1HA GLY 15 3.286 -3.265 31.165 109 2HA GLY 15 2HA GLY 15 3.238 -4.899 30.503 110 H TRP 16 H TRP 16 0.570 -4.529 29.306 111 HA TRP 16 HA TRP 16 -1.179 -4.077 31.667 112 1HB TRP 16 1HB TRP 16 -1.347 -3.985 28.732 113 2HB TRP 16 2HB TRP 16 -2.754 -4.733 29.489 114 HD1 TRP 16 HD1 TRP 16 -2.726 -3.002 32.173 115 HE1 TRP 16 HE1 TRP 16 -3.481 -0.539 32.081 116 HE3 TRP 16 HE3 TRP 16 -2.090 -2.072 27.194 117 HZ2 TRP 16 HZ2 TRP 16 -3.776 1.551 30.149 118 HZ3 TRP 16 HZ3 TRP 16 -2.615 0.161 26.254 119 HH2 TRP 16 HH2 TRP 16 -3.456 1.971 27.724 120 H ASP 17 H ASP 17 -3.209 -5.775 31.409 121 HA ASP 17 HA ASP 17 -1.948 -8.484 31.612 122 1HB ASP 17 1HB ASP 17 -3.179 -7.204 33.537 123 2HB ASP 17 2HB ASP 17 -4.647 -7.682 32.685 124 H MET 18 H MET 18 -3.039 -10.268 30.608 125 HA MET 18 HA MET 18 -4.374 -9.670 28.109 126 1HB MET 18 1HB MET 18 -2.849 -11.639 28.838 127 2HB MET 18 2HB MET 18 -4.313 -12.329 29.539 128 1HG MET 18 1HG MET 18 -4.564 -11.321 26.759 129 2HG MET 18 2HG MET 18 -3.556 -12.753 26.968 130 1HE MET 18 1HE MET 18 -4.065 -14.768 27.246 131 2HE MET 18 2HE MET 18 -4.819 -14.938 28.837 132 3HE MET 18 3HE MET 18 -5.625 -15.570 27.404 133 H ASP 19 H ASP 19 -5.506 -9.917 31.321 134 HA ASP 19 HA ASP 19 -8.319 -10.139 30.318 135 1HB ASP 19 1HB ASP 19 -7.657 -12.308 31.174 136 2HB ASP 19 2HB ASP 19 -6.994 -11.577 32.636 137 H ASP 20 H ASP 20 -6.069 -8.935 32.768 138 HA ASP 20 HA ASP 20 -8.048 -7.632 34.424 139 1HB ASP 20 1HB ASP 20 -5.361 -8.246 34.520 140 2HB ASP 20 2HB ASP 20 -5.335 -6.495 34.311 141 H ASP 21 H ASP 21 -5.724 -6.309 32.023 142 HA ASP 21 HA ASP 21 -7.001 -3.682 32.048 143 1HB ASP 21 1HB ASP 21 -4.632 -3.868 31.680 144 2HB ASP 21 2HB ASP 21 -4.867 -5.042 30.384 145 H ASP 22 H ASP 22 -7.779 -6.618 30.552 146 HA ASP 22 HA ASP 22 -9.182 -7.163 28.723 147 1HB ASP 22 1HB ASP 22 -10.227 -4.402 29.432 148 2HB ASP 22 2HB ASP 22 -11.133 -5.685 28.628 149 H LEU 23 H LEU 23 -6.765 -6.292 27.779 150 HA LEU 23 HA LEU 23 -6.460 -4.046 26.199 151 1HB LEU 23 1HB LEU 23 -5.723 -6.942 25.914 152 2HB LEU 23 2HB LEU 23 -5.327 -5.832 24.602 153 HG LEU 23 HG LEU 23 -4.576 -5.357 27.501 154 1HD1 LEU 23 1HD1 LEU 23 -3.466 -7.371 26.459 155 2HD1 LEU 23 2HD1 LEU 23 -2.802 -6.295 25.229 156 3HD1 LEU 23 3HD1 LEU 23 -2.345 -6.089 26.919 157 1HD2 LEU 23 1HD2 LEU 23 -4.352 -3.847 24.973 158 2HD2 LEU 23 2HD2 LEU 23 -4.325 -3.265 26.638 159 3HD2 LEU 23 3HD2 LEU 23 -2.861 -3.929 25.911 160 H PHE 24 H PHE 24 -8.297 -6.981 25.315 161 HA PHE 24 HA PHE 24 -9.001 -6.298 22.663 162 1HB PHE 24 1HB PHE 24 -10.283 -7.868 24.896 163 2HB PHE 24 2HB PHE 24 -11.088 -7.719 23.334 164 HD1 PHE 24 HD1 PHE 24 -9.839 -8.436 21.237 165 HD2 PHE 24 HD2 PHE 24 -8.466 -9.362 25.200 166 HE1 PHE 24 HE1 PHE 24 -8.383 -10.221 20.316 167 HE2 PHE 24 HE2 PHE 24 -7.010 -11.146 24.279 168 HZ PHE 24 HZ PHE 24 -6.970 -11.575 21.837 169 H GLU 25 H GLU 25 -9.972 -4.851 25.642 170 HA GLU 25 HA GLU 25 -12.313 -3.522 24.334 171 1HB GLU 25 1HB GLU 25 -11.465 -4.179 27.145 172 2HB GLU 25 2HB GLU 25 -12.636 -2.889 26.870 173 1HG GLU 25 1HG GLU 25 -13.773 -4.718 25.314 174 2HG GLU 25 2HG GLU 25 -12.893 -5.830 26.362 175 H LYS 26 H LYS 26 -9.480 -2.793 26.403 176 HA LYS 26 HA LYS 26 -9.765 0.079 26.168 177 1HB LYS 26 1HB LYS 26 -7.707 0.090 27.398 178 2HB LYS 26 2HB LYS 26 -8.601 -1.320 27.965 179 1HG LYS 26 1HG LYS 26 -6.831 -2.593 27.404 180 2HG LYS 26 2HG LYS 26 -7.134 -2.189 25.714 181 1HD LYS 26 1HD LYS 26 -5.864 0.071 26.834 182 2HD LYS 26 2HD LYS 26 -4.966 -1.328 27.422 183 1HE LYS 26 1HE LYS 26 -3.977 -1.509 25.390 184 2HE LYS 26 2HE LYS 26 -5.570 -1.776 24.656 185 1HZ LYS 26 1HZ LYS 26 -4.893 0.946 25.493 186 2HZ LYS 26 2HZ LYS 26 -4.121 0.357 24.100 187 3HZ LYS 26 3HZ LYS 26 -5.818 0.422 24.168 188 H ALA 27 H ALA 27 -8.379 -2.368 24.127 189 HA ALA 27 HA ALA 27 -6.430 -0.738 22.756 190 1HB ALA 27 1HB ALA 27 -7.995 -3.146 21.775 191 2HB ALA 27 2HB ALA 27 -6.418 -2.607 21.198 192 3HB ALA 27 3HB ALA 27 -6.587 -3.251 22.831 193 H ALA 28 H ALA 28 -9.826 -0.636 22.774 194 HA ALA 28 HA ALA 28 -10.062 0.343 19.980 195 1HB ALA 28 1HB ALA 28 -11.653 -1.129 21.701 196 2HB ALA 28 2HB ALA 28 -12.217 -0.349 20.223 197 3HB ALA 28 3HB ALA 28 -12.389 0.473 21.775 198 H ASP 29 H ASP 29 -9.385 1.604 23.049 199 HA ASP 29 HA ASP 29 -10.546 4.279 22.360 200 1HB ASP 29 1HB ASP 29 -10.669 2.704 24.637 201 2HB ASP 29 2HB ASP 29 -9.394 3.858 25.031 202 H ALA 30 H ALA 30 -7.628 2.528 22.418 203 HA ALA 30 HA ALA 30 -5.942 4.925 22.933 204 1HB ALA 30 1HB ALA 30 -4.797 3.243 23.936 205 2HB ALA 30 2HB ALA 30 -5.738 2.012 23.096 206 3HB ALA 30 3HB ALA 30 -4.333 2.736 22.311 207 H GLY 31 H GLY 31 -7.089 2.910 20.315 208 1HA GLY 31 1HA GLY 31 -5.758 4.713 18.386 209 2HA GLY 31 2HA GLY 31 -7.025 3.547 18.003 210 H LEU 32 H LEU 32 -5.858 1.263 19.241 211 HA LEU 32 HA LEU 32 -3.136 0.793 18.482 212 1HB LEU 32 1HB LEU 32 -5.537 -0.729 19.330 213 2HB LEU 32 2HB LEU 32 -4.321 -1.663 18.459 214 HG LEU 32 HG LEU 32 -3.923 -1.671 20.916 215 1HD1 LEU 32 1HD1 LEU 32 -2.090 -1.516 18.985 216 2HD1 LEU 32 2HD1 LEU 32 -1.724 0.011 19.787 217 3HD1 LEU 32 3HD1 LEU 32 -1.628 -1.502 20.687 218 1HD2 LEU 32 1HD2 LEU 32 -4.817 0.843 20.954 219 2HD2 LEU 32 2HD2 LEU 32 -3.672 0.261 22.162 220 3HD2 LEU 32 3HD2 LEU 32 -3.098 1.199 20.785 221 H ASP 33 H ASP 33 -2.259 0.112 16.526 222 HA ASP 33 HA ASP 33 -3.402 0.618 14.047 223 1HB ASP 33 1HB ASP 33 -1.048 -0.347 14.976 224 2HB ASP 33 2HB ASP 33 -1.714 -1.824 14.277 225 H GLY 34 H GLY 34 -4.528 -0.697 12.489 226 1HA GLY 34 1HA GLY 34 -6.251 -2.183 11.887 227 2HA GLY 34 2HA GLY 34 -6.507 -2.474 13.608 228 H GLU 35 H GLU 35 -3.325 -2.950 12.287 229 HA GLU 35 HA GLU 35 -3.633 -5.773 11.657 230 1HB GLU 35 1HB GLU 35 -1.512 -3.700 11.828 231 2HB GLU 35 2HB GLU 35 -0.968 -5.365 12.039 232 1HG GLU 35 1HG GLU 35 -1.511 -5.959 9.882 233 2HG GLU 35 2HG GLU 35 -2.864 -4.832 9.801 234 H ASP 36 H ASP 36 -2.781 -3.907 14.518 235 HA ASP 36 HA ASP 36 -1.867 -6.268 16.037 236 1HB ASP 36 1HB ASP 36 -2.284 -3.314 16.557 237 2HB ASP 36 2HB ASP 36 -1.814 -4.424 17.844 238 H TYR 37 H TYR 37 -4.638 -3.977 16.192 239 HA TYR 37 HA TYR 37 -6.143 -6.107 17.673 240 1HB TYR 37 1HB TYR 37 -5.454 -4.552 19.326 241 2HB TYR 37 2HB TYR 37 -5.736 -3.175 18.263 242 HD1 TYR 37 HD1 TYR 37 -7.584 -6.047 19.822 243 HD2 TYR 37 HD2 TYR 37 -7.719 -1.966 18.486 244 HE1 TYR 37 HE1 TYR 37 -9.890 -5.832 20.710 245 HE2 TYR 37 HE2 TYR 37 -10.024 -1.751 19.375 246 HH TYR 37 HH TYR 37 -11.345 -3.161 21.415 247 H GLY 38 H GLY 38 -8.332 -6.267 17.122 248 1HA GLY 38 1HA GLY 38 -9.148 -5.049 14.604 249 2HA GLY 38 2HA GLY 38 -10.043 -4.421 15.987 250 H THR 39 H THR 39 -12.013 -5.410 15.254 251 HA THR 39 HA THR 39 -12.342 -8.184 16.138 252 HB THR 39 HB THR 39 -14.245 -6.260 14.752 253 HG1 THR 39 HG1 THR 39 -13.196 -5.589 16.787 254 1HG2 THR 39 1HG2 THR 39 -14.587 -8.838 16.273 255 2HG2 THR 39 2HG2 THR 39 -15.898 -7.663 16.175 256 3HG2 THR 39 3HG2 THR 39 -15.253 -8.388 14.702 257 H MET 40 H MET 40 -11.937 -9.892 14.791 258 HA MET 40 HA MET 40 -11.796 -9.445 11.865 259 1HB MET 40 1HB MET 40 -10.457 -11.000 13.811 260 2HB MET 40 2HB MET 40 -11.293 -12.145 12.761 261 1HG MET 40 1HG MET 40 -10.318 -10.961 10.781 262 2HG MET 40 2HG MET 40 -9.394 -9.946 11.888 263 1HE MET 40 1HE MET 40 -9.902 -12.677 9.927 264 2HE MET 40 2HE MET 40 -8.342 -13.495 9.867 265 3HE MET 40 3HE MET 40 -9.635 -14.122 10.898 266 H GLU 41 H GLU 41 -14.219 -9.200 11.692 267 HA GLU 41 HA GLU 41 -15.902 -11.533 12.261 268 1HB GLU 41 1HB GLU 41 -16.453 -8.983 12.226 269 2HB GLU 41 2HB GLU 41 -16.573 -9.191 10.479 270 1HG GLU 41 1HG GLU 41 -18.175 -11.123 10.953 271 2HG GLU 41 2HG GLU 41 -18.206 -10.566 12.627 272 H VAL 42 H VAL 42 -15.729 -13.321 10.941 273 HA VAL 42 HA VAL 42 -15.464 -12.847 7.990 274 HB VAL 42 HB VAL 42 -13.841 -14.620 7.906 275 1HG1 VAL 42 1HG1 VAL 42 -13.375 -12.821 10.303 276 2HG1 VAL 42 2HG1 VAL 42 -12.121 -13.809 9.554 277 3HG1 VAL 42 3HG1 VAL 42 -12.886 -12.513 8.637 278 1HG2 VAL 42 1HG2 VAL 42 -15.076 -15.309 10.491 279 2HG2 VAL 42 2HG2 VAL 42 -14.306 -16.356 9.299 280 3HG2 VAL 42 3HG2 VAL 42 -13.321 -15.477 10.468 281 H ALA 43 H ALA 43 -16.042 -14.990 6.794 282 HA ALA 43 HA ALA 43 -18.704 -15.823 7.673 283 1HB ALA 43 1HB ALA 43 -17.011 -15.845 5.304 284 2HB ALA 43 2HB ALA 43 -18.771 -15.889 5.411 285 3HB ALA 43 3HB ALA 43 -17.843 -17.387 5.507 286 H GLU 44 H GLU 44 -19.165 -18.309 7.514 287 HA GLU 44 HA GLU 44 -17.580 -19.658 9.536 288 1HB GLU 44 1HB GLU 44 -20.133 -19.788 8.559 289 2HB GLU 44 2HB GLU 44 -19.412 -21.211 7.807 290 1HG GLU 44 1HG GLU 44 -18.508 -21.796 10.134 291 2HG GLU 44 2HG GLU 44 -19.602 -20.559 10.754 292 H GLY 45 H GLY 45 -15.629 -20.600 9.093 293 1HA GLY 45 1HA GLY 45 -15.363 -22.181 6.591 294 2HA GLY 45 2HA GLY 45 -14.327 -22.330 8.010 295 H GLU 46 H GLU 46 -14.635 -19.111 7.704 296 HA GLU 46 HA GLU 46 -12.827 -18.617 5.448 297 1HB GLU 46 1HB GLU 46 -14.549 -17.174 7.296 298 2HB GLU 46 2HB GLU 46 -12.998 -16.356 7.104 299 1HG GLU 46 1HG GLU 46 -14.807 -17.252 4.837 300 2HG GLU 46 2HG GLU 46 -14.624 -15.592 5.405 301 H TYR 47 H TYR 47 -10.759 -19.454 5.822 302 HA TYR 47 HA TYR 47 -9.388 -19.764 8.242 303 1HB TYR 47 1HB TYR 47 -8.551 -19.152 5.407 304 2HB TYR 47 2HB TYR 47 -7.348 -19.408 6.672 305 HD1 TYR 47 HD1 TYR 47 -8.226 -21.501 8.323 306 HD2 TYR 47 HD2 TYR 47 -8.884 -21.050 4.102 307 HE1 TYR 47 HE1 TYR 47 -8.524 -23.953 8.107 308 HE2 TYR 47 HE2 TYR 47 -9.183 -23.502 3.886 309 HH TYR 47 HH TYR 47 -9.974 -25.446 5.961 310 H ILE 48 H ILE 48 -8.630 -18.308 9.725 311 HA ILE 48 HA ILE 48 -9.061 -15.578 9.796 312 HB ILE 48 HB ILE 48 -6.764 -17.261 10.826 313 1HG1 ILE 48 1HG1 ILE 48 -9.338 -16.219 12.042 314 2HG1 ILE 48 2HG1 ILE 48 -8.928 -17.902 11.711 315 1HG2 ILE 48 1HG2 ILE 48 -6.967 -14.414 10.750 316 2HG2 ILE 48 2HG2 ILE 48 -7.225 -14.927 12.418 317 3HG2 ILE 48 3HG2 ILE 48 -5.751 -15.394 11.570 318 1HD1 ILE 48 1HD1 ILE 48 -6.825 -17.300 13.245 319 2HD1 ILE 48 2HD1 ILE 48 -7.947 -16.100 13.884 320 3HD1 ILE 48 3HD1 ILE 48 -8.359 -17.813 13.950 321 H LEU 49 H LEU 49 -5.766 -16.785 9.123 322 HA LEU 49 HA LEU 49 -4.586 -14.523 8.095 323 1HB LEU 49 1HB LEU 49 -3.352 -16.551 8.342 324 2HB LEU 49 2HB LEU 49 -4.430 -17.424 7.252 325 HG LEU 49 HG LEU 49 -3.637 -16.154 5.351 326 1HD1 LEU 49 1HD1 LEU 49 -3.392 -14.001 6.622 327 2HD1 LEU 49 2HD1 LEU 49 -1.888 -14.625 7.299 328 3HD1 LEU 49 3HD1 LEU 49 -2.026 -14.350 5.562 329 1HD2 LEU 49 1HD2 LEU 49 -2.237 -18.062 6.062 330 2HD2 LEU 49 2HD2 LEU 49 -1.251 -16.785 5.349 331 3HD2 LEU 49 3HD2 LEU 49 -1.302 -16.987 7.100 332 H GLU 50 H GLU 50 -6.757 -16.719 6.309 333 HA GLU 50 HA GLU 50 -6.503 -15.243 3.802 334 1HB GLU 50 1HB GLU 50 -7.306 -17.744 4.605 335 2HB GLU 50 2HB GLU 50 -8.853 -16.969 4.261 336 1HG GLU 50 1HG GLU 50 -7.791 -16.203 2.050 337 2HG GLU 50 2HG GLU 50 -6.505 -17.358 2.397 338 H ALA 51 H ALA 51 -8.993 -15.487 6.358 339 HA ALA 51 HA ALA 51 -10.946 -13.804 5.173 340 1HB ALA 51 1HB ALA 51 -10.805 -15.325 7.356 341 2HB ALA 51 2HB ALA 51 -10.452 -13.775 8.120 342 3HB ALA 51 3HB ALA 51 -11.966 -14.001 7.245 343 H ALA 52 H ALA 52 -8.381 -12.972 7.496 344 HA ALA 52 HA ALA 52 -8.925 -10.124 7.407 345 1HB ALA 52 1HB ALA 52 -7.606 -11.841 9.055 346 2HB ALA 52 2HB ALA 52 -6.245 -11.127 8.190 347 3HB ALA 52 3HB ALA 52 -7.362 -10.094 9.083 348 H GLU 53 H GLU 53 -6.886 -12.317 5.574 349 HA GLU 53 HA GLU 53 -5.041 -10.477 4.441 350 1HB GLU 53 1HB GLU 53 -6.120 -13.167 3.936 351 2HB GLU 53 2HB GLU 53 -5.537 -12.355 2.484 352 1HG GLU 53 1HG GLU 53 -3.817 -12.196 4.916 353 2HG GLU 53 2HG GLU 53 -3.896 -13.751 4.085 354 H ALA 54 H ALA 54 -8.284 -11.444 3.381 355 HA ALA 54 HA ALA 54 -8.330 -9.936 0.942 356 1HB ALA 54 1HB ALA 54 -10.102 -11.486 2.661 357 2HB ALA 54 2HB ALA 54 -10.145 -11.292 0.909 358 3HB ALA 54 3HB ALA 54 -10.941 -10.109 1.947 359 H GLN 55 H GLN 55 -8.418 -8.935 4.223 360 HA GLN 55 HA GLN 55 -9.813 -6.381 3.586 361 1HB GLN 55 1HB GLN 55 -8.733 -7.471 6.204 362 2HB GLN 55 2HB GLN 55 -9.883 -6.149 6.006 363 1HG GLN 55 1HG GLN 55 -10.738 -8.591 4.641 364 2HG GLN 55 2HG GLN 55 -10.540 -8.822 6.379 365 2HE2 GLN 55 2HE2 GLN 55 -13.067 -8.539 4.650 366 1HE2 GLN 55 1HE2 GLN 55 -13.948 -7.299 5.402 367 H GLY 56 H GLY 56 -6.643 -7.682 4.442 368 1HA GLY 56 1HA GLY 56 -5.530 -4.914 4.210 369 2HA GLY 56 2HA GLY 56 -4.735 -6.312 3.487 370 H TYR 57 H TYR 57 -5.460 -7.997 5.871 371 HA TYR 57 HA TYR 57 -3.886 -6.737 8.051 372 1HB TYR 57 1HB TYR 57 -5.599 -9.202 7.707 373 2HB TYR 57 2HB TYR 57 -4.607 -8.978 9.149 374 HD1 TYR 57 HD1 TYR 57 -4.744 -6.304 9.943 375 HD2 TYR 57 HD2 TYR 57 -7.825 -8.611 8.037 376 HE1 TYR 57 HE1 TYR 57 -6.463 -4.797 10.901 377 HE2 TYR 57 HE2 TYR 57 -9.546 -7.104 8.995 378 HH TYR 57 HH TYR 57 -8.868 -4.117 10.266 379 H ASP 58 H ASP 58 -2.140 -8.116 9.082 380 HA ASP 58 HA ASP 58 -0.765 -9.877 7.080 381 1HB ASP 58 1HB ASP 58 0.098 -7.496 7.249 382 2HB ASP 58 2HB ASP 58 0.553 -7.857 8.914 383 H TRP 59 H TRP 59 0.027 -11.771 7.956 384 HA TRP 59 HA TRP 59 0.220 -11.983 10.939 385 1HB TRP 59 1HB TRP 59 -0.976 -14.063 9.087 386 2HB TRP 59 2HB TRP 59 -1.031 -14.042 10.850 387 HD1 TRP 59 HD1 TRP 59 -2.209 -11.833 7.899 388 HE1 TRP 59 HE1 TRP 59 -4.438 -10.734 8.569 389 HE3 TRP 59 HE3 TRP 59 -2.665 -13.586 12.673 390 HZ2 TRP 59 HZ2 TRP 59 -6.190 -10.613 10.820 391 HZ3 TRP 59 HZ3 TRP 59 -4.626 -12.964 14.057 392 HH2 TRP 59 HH2 TRP 59 -6.386 -11.479 13.135 393 HA PRO 60 HA PRO 60 4.007 -14.039 10.055 394 1HB PRO 60 1HB PRO 60 4.197 -15.686 12.233 395 2HB PRO 60 2HB PRO 60 4.460 -13.934 12.322 396 1HG PRO 60 1HG PRO 60 2.065 -15.538 13.074 397 2HG PRO 60 2HG PRO 60 2.764 -14.119 13.866 398 1HD PRO 60 1HD PRO 60 0.555 -14.037 12.247 399 2HD PRO 60 2HD PRO 60 1.644 -12.659 12.505 400 H PHE 61 H PHE 61 4.512 -15.818 8.790 401 HA PHE 61 HA PHE 61 3.134 -18.394 9.176 402 1HB PHE 61 1HB PHE 61 2.036 -18.358 7.024 403 2HB PHE 61 2HB PHE 61 1.609 -16.858 7.849 404 HD1 PHE 61 HD1 PHE 61 3.919 -18.338 5.327 405 HD2 PHE 61 HD2 PHE 61 2.221 -14.743 6.953 406 HE1 PHE 61 HE1 PHE 61 4.892 -17.033 3.457 407 HE2 PHE 61 HE2 PHE 61 3.196 -13.437 5.084 408 HZ PHE 61 HZ PHE 61 4.530 -14.582 3.335 409 H SER 62 H SER 62 4.163 -20.089 7.948 410 HA SER 62 HA SER 62 6.591 -19.346 6.390 411 1HB SER 62 1HB SER 62 6.506 -20.242 9.100 412 2HB SER 62 2HB SER 62 7.171 -21.555 8.128 413 HG SER 62 HG SER 62 8.754 -20.032 8.848 414 H CYS 63 H CYS 63 4.934 -22.223 7.741 415 HA CYS 63 HA CYS 63 5.507 -23.774 5.329 416 1HB CYS 63 1HB CYS 63 4.852 -25.566 6.670 417 2HB CYS 63 2HB CYS 63 5.375 -24.402 7.882 418 H ARG 64 H ARG 64 2.597 -22.295 6.791 419 HA ARG 64 HA ARG 64 0.528 -21.721 5.794 420 1HB ARG 64 1HB ARG 64 2.535 -21.268 3.990 421 2HB ARG 64 2HB ARG 64 1.484 -22.347 3.074 422 1HG ARG 64 1HG ARG 64 0.339 -20.434 2.594 423 2HG ARG 64 2HG ARG 64 -0.353 -20.666 4.200 424 1HD ARG 64 1HD ARG 64 1.072 -19.063 5.179 425 2HD ARG 64 2HD ARG 64 2.250 -19.171 3.859 426 HE ARG 64 HE ARG 64 0.018 -17.403 3.866 427 1HH1 ARG 64 1HH1 ARG 64 2.425 -18.191 1.863 428 2HH1 ARG 64 2HH1 ARG 64 1.519 -18.189 0.387 429 1HH2 ARG 64 1HH2 ARG 64 -1.565 -18.090 1.972 430 2HH2 ARG 64 2HH2 ARG 64 -0.741 -18.134 0.449 431 H ALA 65 H ALA 65 1.173 -24.606 6.406 432 HA ALA 65 HA ALA 65 -0.971 -25.827 4.749 433 1HB ALA 65 1HB ALA 65 0.557 -27.908 4.790 434 2HB ALA 65 2HB ALA 65 1.838 -26.806 5.295 435 3HB ALA 65 3HB ALA 65 1.048 -26.583 3.734 436 H GLY 66 H GLY 66 0.055 -25.023 7.800 437 1HA GLY 66 1HA GLY 66 -1.814 -26.900 9.046 438 2HA GLY 66 2HA GLY 66 -0.931 -25.617 9.872 439 H ALA 67 H ALA 67 1.715 -26.412 9.023 440 HA ALA 67 HA ALA 67 1.981 -28.972 10.559 441 1HB ALA 67 1HB ALA 67 2.893 -29.894 8.719 442 2HB ALA 67 2HB ALA 67 2.515 -28.417 7.832 443 3HB ALA 67 3HB ALA 67 4.081 -28.594 8.624 444 H CYS 68 H CYS 68 2.521 -25.842 11.001 445 HA CYS 68 HA CYS 68 5.009 -26.342 12.533 446 1HB CYS 68 1HB CYS 68 6.326 -24.846 11.351 447 2HB CYS 68 2HB CYS 68 5.305 -25.438 10.047 448 H ALA 69 H ALA 69 5.533 -23.900 13.588 449 HA ALA 69 HA ALA 69 2.891 -22.996 14.701 450 1HB ALA 69 1HB ALA 69 5.490 -23.034 16.222 451 2HB ALA 69 2HB ALA 69 3.845 -23.061 16.854 452 3HB ALA 69 3HB ALA 69 4.513 -24.495 16.073 453 H ASN 70 H ASN 70 5.216 -21.907 12.717 454 HA ASN 70 HA ASN 70 6.220 -19.495 13.810 455 1HB ASN 70 1HB ASN 70 5.446 -20.415 11.035 456 2HB ASN 70 2HB ASN 70 6.177 -18.834 11.310 457 2HD2 ASN 70 2HD2 ASN 70 8.406 -18.896 11.026 458 1HD2 ASN 70 1HD2 ASN 70 9.402 -20.221 11.390 459 H CYS 71 H CYS 71 3.107 -20.179 12.219 460 HA CYS 71 HA CYS 71 2.220 -17.379 12.483 461 1HB CYS 71 1HB CYS 71 0.312 -18.179 11.246 462 2HB CYS 71 2HB CYS 71 1.720 -18.997 10.569 463 H ALA 72 H ALA 72 2.726 -19.544 14.761 464 HA ALA 72 HA ALA 72 0.467 -20.284 16.152 465 1HB ALA 72 1HB ALA 72 3.100 -19.101 17.038 466 2HB ALA 72 2HB ALA 72 2.622 -20.798 16.998 467 3HB ALA 72 3HB ALA 72 1.925 -19.714 18.203 468 H SER 73 H SER 73 -0.911 -19.319 17.682 469 HA SER 73 HA SER 73 -0.870 -16.344 17.952 470 1HB SER 73 1HB SER 73 -3.202 -16.246 17.307 471 2HB SER 73 2HB SER 73 -2.358 -17.164 16.059 472 HG SER 73 HG SER 73 -2.977 -19.061 17.373 473 H ILE 74 H ILE 74 -3.139 -16.066 19.497 474 HA ILE 74 HA ILE 74 -3.015 -18.107 21.656 475 HB ILE 74 HB ILE 74 -2.543 -15.135 22.070 476 1HG1 ILE 74 1HG1 ILE 74 -0.640 -16.266 20.924 477 2HG1 ILE 74 2HG1 ILE 74 -0.222 -15.734 22.549 478 1HG2 ILE 74 1HG2 ILE 74 -2.483 -17.529 23.929 479 2HG2 ILE 74 2HG2 ILE 74 -1.874 -15.931 24.366 480 3HG2 ILE 74 3HG2 ILE 74 -3.585 -16.154 24.002 481 1HD1 ILE 74 1HD1 ILE 74 -1.314 -18.500 22.236 482 2HD1 ILE 74 2HD1 ILE 74 0.342 -18.205 21.711 483 3HD1 ILE 74 3HD1 ILE 74 -0.123 -17.885 23.381 484 H VAL 75 H VAL 75 -5.240 -18.437 20.763 485 HA VAL 75 HA VAL 75 -7.293 -16.520 20.610 486 HB VAL 75 HB VAL 75 -7.346 -18.933 19.939 487 1HG1 VAL 75 1HG1 VAL 75 -6.313 -19.702 22.133 488 2HG1 VAL 75 2HG1 VAL 75 -7.898 -19.460 22.868 489 3HG1 VAL 75 3HG1 VAL 75 -7.696 -20.648 21.580 490 1HG2 VAL 75 1HG2 VAL 75 -9.523 -17.838 21.730 491 2HG2 VAL 75 2HG2 VAL 75 -9.456 -17.817 19.968 492 3HG2 VAL 75 3HG2 VAL 75 -9.714 -19.339 20.822 493 H LYS 76 H LYS 76 -8.091 -15.155 22.178 494 HA LYS 76 HA LYS 76 -7.510 -15.677 25.022 495 1HB LYS 76 1HB LYS 76 -7.276 -13.444 23.969 496 2HB LYS 76 2HB LYS 76 -8.998 -13.452 23.586 497 1HG LYS 76 1HG LYS 76 -8.406 -14.030 26.411 498 2HG LYS 76 2HG LYS 76 -7.907 -12.419 25.894 499 1HD LYS 76 1HD LYS 76 -10.129 -11.895 25.128 500 2HD LYS 76 2HD LYS 76 -10.657 -13.564 25.345 501 1HE LYS 76 1HE LYS 76 -11.461 -12.628 27.324 502 2HE LYS 76 2HE LYS 76 -9.833 -13.088 27.858 503 1HZ LYS 76 1HZ LYS 76 -10.589 -10.460 26.681 504 2HZ LYS 76 2HZ LYS 76 -10.302 -10.744 28.331 505 3HZ LYS 76 3HZ LYS 76 -9.036 -10.902 27.209 506 H GLU 77 H GLU 77 -10.027 -16.350 22.811 507 HA GLU 77 HA GLU 77 -11.682 -17.620 24.798 508 1HB GLU 77 1HB GLU 77 -11.870 -14.950 24.971 509 2HB GLU 77 2HB GLU 77 -13.037 -15.204 23.672 510 1HG GLU 77 1HG GLU 77 -13.833 -17.158 25.347 511 2HG GLU 77 2HG GLU 77 -13.167 -16.033 26.530 512 H GLY 78 H GLY 78 -13.821 -18.315 23.771 513 1HA GLY 78 1HA GLY 78 -14.097 -18.041 20.883 514 2HA GLY 78 2HA GLY 78 -15.088 -19.065 21.923 515 H GLU 79 H GLU 79 -14.728 -20.597 20.020 516 HA GLU 79 HA GLU 79 -12.213 -22.163 20.489 517 1HB GLU 79 1HB GLU 79 -14.488 -23.116 21.097 518 2HB GLU 79 2HB GLU 79 -14.877 -23.087 19.377 519 1HG GLU 79 1HG GLU 79 -13.101 -24.623 18.866 520 2HG GLU 79 2HG GLU 79 -12.432 -24.484 20.491 521 H ILE 80 H ILE 80 -10.990 -22.770 18.683 522 HA ILE 80 HA ILE 80 -11.873 -21.626 16.053 523 HB ILE 80 HB ILE 80 -9.097 -22.201 17.144 524 1HG1 ILE 80 1HG1 ILE 80 -10.571 -19.567 16.836 525 2HG1 ILE 80 2HG1 ILE 80 -10.291 -20.394 18.368 526 1HG2 ILE 80 1HG2 ILE 80 -10.166 -21.352 14.529 527 2HG2 ILE 80 2HG2 ILE 80 -8.856 -20.343 15.141 528 3HG2 ILE 80 3HG2 ILE 80 -8.607 -22.076 14.927 529 1HD1 ILE 80 1HD1 ILE 80 -8.037 -19.629 16.502 530 2HD1 ILE 80 2HD1 ILE 80 -8.618 -18.555 17.773 531 3HD1 ILE 80 3HD1 ILE 80 -7.923 -20.121 18.192 532 H ASP 81 H ASP 81 -11.344 -22.919 14.150 533 HA ASP 81 HA ASP 81 -11.273 -25.846 14.742 534 1HB ASP 81 1HB ASP 81 -13.184 -25.184 13.486 535 2HB ASP 81 2HB ASP 81 -12.230 -24.116 12.455 536 H MET 82 H MET 82 -9.527 -27.062 14.068 537 HA MET 82 HA MET 82 -7.519 -25.731 12.278 538 1HB MET 82 1HB MET 82 -5.825 -26.935 13.650 539 2HB MET 82 2HB MET 82 -6.804 -25.842 14.629 540 1HG MET 82 1HG MET 82 -7.944 -28.544 14.366 541 2HG MET 82 2HG MET 82 -6.386 -28.505 15.193 542 1HE MET 82 1HE MET 82 -5.818 -27.607 17.194 543 2HE MET 82 2HE MET 82 -6.165 -25.908 16.885 544 3HE MET 82 3HE MET 82 -6.789 -26.676 18.342 545 H ASP 83 H ASP 83 -5.918 -27.658 11.525 546 HA ASP 83 HA ASP 83 -7.588 -29.489 9.967 547 1HB ASP 83 1HB ASP 83 -4.841 -28.471 10.068 548 2HB ASP 83 2HB ASP 83 -4.915 -30.182 9.642 549 H MET 84 H MET 84 -7.570 -31.786 10.151 550 HA MET 84 HA MET 84 -7.328 -32.858 12.823 551 1HB MET 84 1HB MET 84 -8.626 -33.485 10.499 552 2HB MET 84 2HB MET 84 -7.338 -34.691 10.499 553 1HG MET 84 1HG MET 84 -7.986 -35.442 12.728 554 2HG MET 84 2HG MET 84 -9.196 -34.163 12.840 555 1HE MET 84 1HE MET 84 -8.116 -37.434 11.861 556 2HE MET 84 2HE MET 84 -9.519 -37.701 12.890 557 3HE MET 84 3HE MET 84 -9.524 -38.272 11.216 558 H GLN 85 H GLN 85 -5.164 -32.719 13.569 559 HA GLN 85 HA GLN 85 -3.314 -34.731 12.488 560 1HB GLN 85 1HB GLN 85 -3.229 -31.901 11.774 561 2HB GLN 85 2HB GLN 85 -1.719 -32.433 12.514 562 1HG GLN 85 1HG GLN 85 -1.176 -33.736 10.733 563 2HG GLN 85 2HG GLN 85 -2.822 -34.347 10.570 564 2HE2 GLN 85 2HE2 GLN 85 -1.252 -31.102 10.224 565 1HE2 GLN 85 1HE2 GLN 85 -1.992 -30.746 8.738 566 H GLN 86 H GLN 86 -0.974 -33.654 13.722 567 HA GLN 86 HA GLN 86 -1.773 -33.348 16.592 568 1HB GLN 86 1HB GLN 86 -0.975 -35.709 15.446 569 2HB GLN 86 2HB GLN 86 0.564 -35.062 16.014 570 1HG GLN 86 1HG GLN 86 -0.811 -34.573 18.219 571 2HG GLN 86 2HG GLN 86 -1.867 -35.839 17.593 572 2HE2 GLN 86 2HE2 GLN 86 -0.620 -36.551 19.901 573 1HE2 GLN 86 1HE2 GLN 86 0.685 -37.599 19.615 574 H ILE 87 H ILE 87 -0.827 -31.276 14.846 575 HA ILE 87 HA ILE 87 2.060 -30.933 15.256 576 HB ILE 87 HB ILE 87 0.712 -30.137 13.278 577 1HG1 ILE 87 1HG1 ILE 87 1.723 -27.789 13.308 578 2HG1 ILE 87 2HG1 ILE 87 2.274 -28.153 14.944 579 1HG2 ILE 87 1HG2 ILE 87 -1.246 -29.412 14.699 580 2HG2 ILE 87 2HG2 ILE 87 -0.277 -28.034 15.223 581 3HG2 ILE 87 3HG2 ILE 87 -0.720 -28.205 13.524 582 1HD1 ILE 87 1HD1 ILE 87 3.349 -30.253 13.972 583 2HD1 ILE 87 2HD1 ILE 87 3.018 -29.575 12.378 584 3HD1 ILE 87 3HD1 ILE 87 4.089 -28.726 13.492 585 H LEU 88 H LEU 88 -0.887 -30.079 16.920 586 HA LEU 88 HA LEU 88 0.692 -28.359 18.807 587 1HB LEU 88 1HB LEU 88 -1.608 -27.850 17.266 588 2HB LEU 88 2HB LEU 88 -2.195 -28.057 18.916 589 HG LEU 88 HG LEU 88 0.100 -26.521 19.237 590 1HD1 LEU 88 1HD1 LEU 88 -0.508 -26.321 16.547 591 2HD1 LEU 88 2HD1 LEU 88 -1.329 -24.920 17.234 592 3HD1 LEU 88 3HD1 LEU 88 0.405 -25.130 17.473 593 1HD2 LEU 88 1HD2 LEU 88 -2.801 -25.675 18.968 594 2HD2 LEU 88 2HD2 LEU 88 -2.000 -26.213 20.444 595 3HD2 LEU 88 3HD2 LEU 88 -1.533 -24.688 19.693 596 H SER 89 H SER 89 -0.770 -28.305 21.005 597 HA SER 89 HA SER 89 -1.518 -31.128 21.676 598 1HB SER 89 1HB SER 89 0.197 -29.218 23.297 599 2HB SER 89 2HB SER 89 -0.216 -30.873 23.747 600 HG SER 89 HG SER 89 1.456 -31.430 22.639 601 H ASP 90 H ASP 90 -3.300 -31.284 23.052 602 HA ASP 90 HA ASP 90 -5.228 -29.294 23.278 603 1HB ASP 90 1HB ASP 90 -4.552 -31.844 24.511 604 2HB ASP 90 2HB ASP 90 -5.386 -30.786 25.647 605 H GLU 91 H GLU 91 -2.705 -30.047 25.689 606 HA GLU 91 HA GLU 91 -3.363 -28.082 27.614 607 1HB GLU 91 1HB GLU 91 -0.751 -29.315 26.700 608 2HB GLU 91 2HB GLU 91 -0.870 -28.289 28.130 609 1HG GLU 91 1HG GLU 91 -2.488 -29.812 29.137 610 2HG GLU 91 2HG GLU 91 -2.510 -30.801 27.675 611 H GLU 92 H GLU 92 -1.801 -27.778 24.495 612 HA GLU 92 HA GLU 92 -0.666 -25.136 24.966 613 1HB GLU 92 1HB GLU 92 -0.397 -27.180 23.135 614 2HB GLU 92 2HB GLU 92 -1.281 -25.969 22.208 615 1HG GLU 92 1HG GLU 92 0.498 -24.556 22.140 616 2HG GLU 92 2HG GLU 92 0.920 -24.866 23.824 617 H VAL 93 H VAL 93 -3.686 -26.396 23.584 618 HA VAL 93 HA VAL 93 -4.600 -23.768 22.680 619 HB VAL 93 HB VAL 93 -5.127 -26.122 21.759 620 1HG1 VAL 93 1HG1 VAL 93 -6.094 -26.449 24.383 621 2HG1 VAL 93 2HG1 VAL 93 -7.528 -26.358 23.363 622 3HG1 VAL 93 3HG1 VAL 93 -6.288 -27.569 23.036 623 1HG2 VAL 93 1HG2 VAL 93 -7.082 -23.903 22.255 624 2HG2 VAL 93 2HG2 VAL 93 -6.357 -24.435 20.739 625 3HG2 VAL 93 3HG2 VAL 93 -7.649 -25.380 21.476 626 H GLU 94 H GLU 94 -4.707 -25.563 25.648 627 HA GLU 94 HA GLU 94 -6.956 -23.921 26.705 628 1HB GLU 94 1HB GLU 94 -5.475 -26.416 27.514 629 2HB GLU 94 2HB GLU 94 -6.475 -25.561 28.688 630 1HG GLU 94 1HG GLU 94 -8.423 -25.762 27.223 631 2HG GLU 94 2HG GLU 94 -7.436 -26.525 25.976 632 H GLU 95 H GLU 95 -3.504 -24.600 27.278 633 HA GLU 95 HA GLU 95 -3.416 -22.575 29.446 634 1HB GLU 95 1HB GLU 95 -2.143 -24.991 28.888 635 2HB GLU 95 2HB GLU 95 -0.906 -23.782 28.545 636 1HG GLU 95 1HG GLU 95 -2.073 -22.871 30.902 637 2HG GLU 95 2HG GLU 95 -2.017 -24.621 31.116 638 H LYS 96 H LYS 96 -1.957 -23.173 26.236 639 HA LYS 96 HA LYS 96 -0.855 -20.407 26.227 640 1HB LYS 96 1HB LYS 96 -0.278 -23.018 25.013 641 2HB LYS 96 2HB LYS 96 -0.153 -21.682 23.868 642 1HG LYS 96 1HG LYS 96 1.348 -20.489 25.428 643 2HG LYS 96 2HG LYS 96 1.226 -21.830 26.568 644 1HD LYS 96 1HD LYS 96 2.138 -23.345 24.784 645 2HD LYS 96 2HD LYS 96 2.393 -21.925 23.771 646 1HE LYS 96 1HE LYS 96 4.336 -21.473 24.848 647 2HE LYS 96 2HE LYS 96 3.497 -21.463 26.411 648 1HZ LYS 96 1HZ LYS 96 3.909 -24.039 25.074 649 2HZ LYS 96 2HZ LYS 96 5.257 -23.320 25.817 650 3HZ LYS 96 3HZ LYS 96 3.873 -23.679 26.734 651 H ASP 97 H ASP 97 -3.609 -22.103 25.157 652 HA ASP 97 HA ASP 97 -5.314 -21.568 23.597 653 1HB ASP 97 1HB ASP 97 -4.477 -18.709 23.646 654 2HB ASP 97 2HB ASP 97 -6.056 -19.425 23.968 655 H VAL 98 H VAL 98 -2.666 -22.218 22.476 656 HA VAL 98 HA VAL 98 -2.284 -20.314 20.258 657 HB VAL 98 HB VAL 98 -0.977 -22.909 21.121 658 1HG1 VAL 98 1HG1 VAL 98 -0.298 -21.039 18.831 659 2HG1 VAL 98 2HG1 VAL 98 0.778 -22.302 19.431 660 3HG1 VAL 98 3HG1 VAL 98 -0.771 -22.733 18.704 661 1HG2 VAL 98 1HG2 VAL 98 -0.742 -20.602 22.370 662 2HG2 VAL 98 2HG2 VAL 98 0.696 -21.573 22.053 663 3HG2 VAL 98 3HG2 VAL 98 0.314 -20.198 21.017 664 H ARG 99 H ARG 99 -2.143 -21.239 17.996 665 HA ARG 99 HA ARG 99 -3.489 -23.692 17.292 666 1HB ARG 99 1HB ARG 99 -5.156 -21.665 18.174 667 2HB ARG 99 2HB ARG 99 -5.203 -21.467 16.422 668 1HG ARG 99 1HG ARG 99 -6.772 -23.113 16.488 669 2HG ARG 99 2HG ARG 99 -5.392 -24.196 16.681 670 1HD ARG 99 1HD ARG 99 -5.870 -24.595 18.885 671 2HD ARG 99 2HD ARG 99 -6.345 -22.913 19.183 672 HE ARG 99 HE ARG 99 -8.192 -24.335 17.416 673 1HH1 ARG 99 1HH1 ARG 99 -8.406 -22.234 19.814 674 2HH1 ARG 99 2HH1 ARG 99 -9.489 -23.118 20.835 675 1HH2 ARG 99 1HH2 ARG 99 -9.118 -26.097 19.098 676 2HH2 ARG 99 2HH2 ARG 99 -9.892 -25.306 20.430 677 H LEU 100 H LEU 100 -4.279 -23.353 14.798 678 HA LEU 100 HA LEU 100 -1.948 -22.073 13.438 679 1HB LEU 100 1HB LEU 100 -4.017 -24.005 12.352 680 2HB LEU 100 2HB LEU 100 -2.428 -23.648 11.676 681 HG LEU 100 HG LEU 100 -2.812 -24.828 14.439 682 1HD1 LEU 100 1HD1 LEU 100 -2.978 -26.077 11.787 683 2HD1 LEU 100 2HD1 LEU 100 -1.773 -26.823 12.836 684 3HD1 LEU 100 3HD1 LEU 100 -3.453 -26.715 13.361 685 1HD2 LEU 100 1HD2 LEU 100 -0.504 -24.219 12.627 686 2HD2 LEU 100 2HD2 LEU 100 -0.649 -23.984 14.369 687 3HD2 LEU 100 3HD2 LEU 100 -0.385 -25.601 13.716 688 H THR 101 H THR 101 -2.484 -19.965 12.916 689 HA THR 101 HA THR 101 -5.212 -19.153 12.261 690 HB THR 101 HB THR 101 -3.780 -17.021 11.646 691 HG1 THR 101 HG1 THR 101 -1.784 -17.911 11.547 692 1HG2 THR 101 1HG2 THR 101 -4.616 -18.232 14.168 693 2HG2 THR 101 2HG2 THR 101 -3.270 -17.111 14.374 694 3HG2 THR 101 3HG2 THR 101 -4.769 -16.563 13.623 695 H CYS 102 H CYS 102 -2.392 -20.202 10.467 696 HA CYS 102 HA CYS 102 -3.177 -19.077 7.908 697 1HB CYS 102 1HB CYS 102 -1.382 -20.575 7.094 698 2HB CYS 102 2HB CYS 102 -0.869 -19.704 8.539 699 H ILE 103 H ILE 103 -3.899 -22.053 9.645 700 HA ILE 103 HA ILE 103 -5.707 -22.852 7.390 701 HB ILE 103 HB ILE 103 -4.983 -25.157 7.741 702 1HG1 ILE 103 1HG1 ILE 103 -2.763 -24.864 9.478 703 2HG1 ILE 103 2HG1 ILE 103 -4.127 -24.075 10.270 704 1HG2 ILE 103 1HG2 ILE 103 -3.285 -23.052 6.858 705 2HG2 ILE 103 2HG2 ILE 103 -2.280 -24.192 7.751 706 3HG2 ILE 103 3HG2 ILE 103 -3.239 -24.748 6.380 707 1HD1 ILE 103 1HD1 ILE 103 -5.323 -26.340 9.323 708 2HD1 ILE 103 2HD1 ILE 103 -3.697 -26.937 9.658 709 3HD1 ILE 103 3HD1 ILE 103 -4.644 -26.192 10.944 710 H GLY 104 H GLY 104 -6.119 -21.460 10.066 711 1HA GLY 104 1HA GLY 104 -7.124 -22.304 12.229 712 2HA GLY 104 2HA GLY 104 -7.997 -23.472 11.238 713 H SER 105 H SER 105 -10.107 -22.831 11.420 714 HA SER 105 HA SER 105 -10.741 -19.978 10.734 715 1HB SER 105 1HB SER 105 -12.695 -22.201 10.332 716 2HB SER 105 2HB SER 105 -12.399 -20.778 9.333 717 HG SER 105 HG SER 105 -11.491 -22.341 8.176 718 HA PRO 106 HA PRO 106 -12.806 -19.765 14.606 719 1HB PRO 106 1HB PRO 106 -14.754 -17.927 14.032 720 2HB PRO 106 2HB PRO 106 -13.045 -17.497 14.233 721 1HG PRO 106 1HG PRO 106 -14.628 -17.883 11.737 722 2HG PRO 106 2HG PRO 106 -13.377 -16.687 12.105 723 1HD PRO 106 1HD PRO 106 -12.940 -18.932 10.605 724 2HD PRO 106 2HD PRO 106 -11.674 -18.116 11.547 725 H ALA 107 H ALA 107 -14.264 -21.189 15.479 726 HA ALA 107 HA ALA 107 -16.474 -22.203 13.739 727 1HB ALA 107 1HB ALA 107 -16.418 -23.987 15.653 728 2HB ALA 107 2HB ALA 107 -14.874 -23.244 16.071 729 3HB ALA 107 3HB ALA 107 -15.101 -23.969 14.479 730 H ALA 108 H ALA 108 -15.779 -20.701 16.856 731 HA ALA 108 HA ALA 108 -18.586 -20.863 17.747 732 1HB ALA 108 1HB ALA 108 -16.345 -20.970 19.099 733 2HB ALA 108 2HB ALA 108 -17.702 -20.074 19.782 734 3HB ALA 108 3HB ALA 108 -16.390 -19.211 18.981 735 H ASP 109 H ASP 109 -19.618 -18.721 18.488 736 HA ASP 109 HA ASP 109 -19.820 -16.908 16.256 737 1HB ASP 109 1HB ASP 109 -20.715 -16.646 19.146 738 2HB ASP 109 2HB ASP 109 -21.349 -15.723 17.785 739 H GLU 110 H GLU 110 -19.148 -15.780 19.567 740 HA GLU 110 HA GLU 110 -17.346 -13.706 18.495 741 1HB GLU 110 1HB GLU 110 -18.893 -14.308 20.935 742 2HB GLU 110 2HB GLU 110 -17.340 -13.530 21.248 743 1HG GLU 110 1HG GLU 110 -17.951 -11.580 20.188 744 2HG GLU 110 2HG GLU 110 -18.998 -12.410 19.037 745 H VAL 111 H VAL 111 -15.145 -14.031 18.380 746 HA VAL 111 HA VAL 111 -13.905 -15.969 20.300 747 HB VAL 111 HB VAL 111 -13.196 -15.749 17.368 748 1HG1 VAL 111 1HG1 VAL 111 -11.717 -16.849 19.231 749 2HG1 VAL 111 2HG1 VAL 111 -12.899 -18.154 19.147 750 3HG1 VAL 111 3HG1 VAL 111 -11.970 -17.713 17.714 751 1HG2 VAL 111 1HG2 VAL 111 -15.373 -17.307 18.733 752 2HG2 VAL 111 2HG2 VAL 111 -15.415 -16.461 17.186 753 3HG2 VAL 111 3HG2 VAL 111 -14.558 -17.997 17.330 754 H LYS 112 H LYS 112 -12.199 -15.024 21.330 755 HA LYS 112 HA LYS 112 -10.959 -12.587 20.113 756 1HB LYS 112 1HB LYS 112 -11.088 -13.688 22.939 757 2HB LYS 112 2HB LYS 112 -10.243 -12.206 22.492 758 1HG LYS 112 1HG LYS 112 -12.574 -11.594 21.392 759 2HG LYS 112 2HG LYS 112 -13.186 -12.767 22.557 760 1HD LYS 112 1HD LYS 112 -11.785 -11.467 24.303 761 2HD LYS 112 2HD LYS 112 -11.710 -10.190 23.089 762 1HE LYS 112 1HE LYS 112 -14.317 -11.430 24.033 763 2HE LYS 112 2HE LYS 112 -13.638 -9.937 24.710 764 1HZ LYS 112 1HZ LYS 112 -13.941 -10.328 21.789 765 2HZ LYS 112 2HZ LYS 112 -15.217 -9.714 22.727 766 3HZ LYS 112 3HZ LYS 112 -13.744 -8.873 22.644 767 H ILE 113 H ILE 113 -8.695 -12.545 19.805 768 HA ILE 113 HA ILE 113 -6.996 -14.724 20.807 769 HB ILE 113 HB ILE 113 -8.029 -15.816 18.927 770 1HG1 ILE 113 1HG1 ILE 113 -5.351 -14.700 18.041 771 2HG1 ILE 113 2HG1 ILE 113 -5.565 -16.074 19.125 772 1HG2 ILE 113 1HG2 ILE 113 -8.066 -13.132 17.887 773 2HG2 ILE 113 2HG2 ILE 113 -7.288 -14.197 16.716 774 3HG2 ILE 113 3HG2 ILE 113 -8.918 -14.555 17.287 775 1HD1 ILE 113 1HD1 ILE 113 -7.186 -16.480 16.790 776 2HD1 ILE 113 2HD1 ILE 113 -5.545 -16.086 16.278 777 3HD1 ILE 113 3HD1 ILE 113 -5.828 -17.448 17.362 778 H VAL 114 H VAL 114 -4.765 -14.247 20.571 779 HA VAL 114 HA VAL 114 -4.185 -11.419 19.812 780 HB VAL 114 HB VAL 114 -2.383 -13.366 21.264 781 1HG1 VAL 114 1HG1 VAL 114 -2.729 -10.353 21.363 782 2HG1 VAL 114 2HG1 VAL 114 -1.558 -11.277 22.304 783 3HG1 VAL 114 3HG1 VAL 114 -1.424 -11.215 20.546 784 1HG2 VAL 114 1HG2 VAL 114 -4.715 -11.773 22.354 785 2HG2 VAL 114 2HG2 VAL 114 -4.420 -13.504 22.515 786 3HG2 VAL 114 3HG2 VAL 114 -3.399 -12.352 23.376 787 H TYR 115 H TYR 115 -3.138 -11.114 17.855 788 HA TYR 115 HA TYR 115 -2.022 -13.494 16.502 789 1HB TYR 115 1HB TYR 115 -2.523 -12.360 14.571 790 2HB TYR 115 2HB TYR 115 -3.608 -11.502 15.657 791 HD1 TYR 115 HD1 TYR 115 -1.673 -9.790 17.159 792 HD2 TYR 115 HD2 TYR 115 -1.927 -10.745 12.978 793 HE1 TYR 115 HE1 TYR 115 -0.528 -7.670 16.608 794 HE2 TYR 115 HE2 TYR 115 -0.787 -8.616 12.426 795 HH TYR 115 HH TYR 115 -0.605 -6.121 14.184 796 H ASN 116 H ASN 116 0.089 -13.434 15.514 797 HA ASN 116 HA ASN 116 2.387 -12.878 15.344 798 1HB ASN 116 1HB ASN 116 1.731 -10.703 17.363 799 2HB ASN 116 2HB ASN 116 3.231 -10.875 16.472 800 2HD2 ASN 116 2HD2 ASN 116 2.732 -8.673 15.554 801 1HD2 ASN 116 1HD2 ASN 116 1.660 -8.557 14.245 802 H ALA 117 H ALA 117 2.025 -15.076 16.624 803 HA ALA 117 HA ALA 117 2.712 -14.906 19.489 804 1HB ALA 117 1HB ALA 117 2.475 -17.331 19.372 805 2HB ALA 117 2HB ALA 117 1.154 -16.587 18.469 806 3HB ALA 117 3HB ALA 117 2.530 -17.280 17.609 807 H LYS 118 H LYS 118 4.646 -14.003 17.252 808 HA LYS 118 HA LYS 118 6.836 -15.870 17.188 809 1HB LYS 118 1HB LYS 118 6.766 -12.851 16.870 810 2HB LYS 118 2HB LYS 118 8.039 -13.921 16.283 811 1HG LYS 118 1HG LYS 118 6.583 -14.947 14.697 812 2HG LYS 118 2HG LYS 118 5.150 -14.251 15.455 813 1HD LYS 118 1HD LYS 118 5.461 -12.828 13.624 814 2HD LYS 118 2HD LYS 118 6.311 -11.961 14.903 815 1HE LYS 118 1HE LYS 118 8.384 -12.383 13.986 816 2HE LYS 118 2HE LYS 118 7.896 -13.972 13.364 817 H HIS 119 H HIS 119 5.876 -13.313 19.419 818 HA HIS 119 HA HIS 119 8.330 -13.009 20.852 819 1HB HIS 119 1HB HIS 119 6.666 -12.301 22.688 820 2HB HIS 119 2HB HIS 119 6.543 -11.445 21.150 821 HD1 HIS 119 HD1 HIS 119 4.893 -14.255 23.088 822 HD2 HIS 119 HD2 HIS 119 4.107 -11.790 19.810 823 HE1 HIS 119 HE1 HIS 119 2.491 -14.699 22.417 824 H LEU 120 H LEU 120 5.887 -15.523 20.887 825 HA LEU 120 HA LEU 120 6.076 -16.763 23.340 826 1HB LEU 120 1HB LEU 120 4.809 -17.569 21.374 827 2HB LEU 120 2HB LEU 120 6.318 -18.054 20.601 828 HG LEU 120 HG LEU 120 6.763 -19.652 22.397 829 1HD1 LEU 120 1HD1 LEU 120 4.645 -18.097 23.701 830 2HD1 LEU 120 2HD1 LEU 120 4.418 -19.838 23.856 831 3HD1 LEU 120 3HD1 LEU 120 5.912 -19.090 24.421 832 1HD2 LEU 120 1HD2 LEU 120 4.414 -19.733 20.683 833 2HD2 LEU 120 2HD2 LEU 120 5.552 -21.022 21.074 834 3HD2 LEU 120 3HD2 LEU 120 4.179 -20.706 22.136 835 H ASP 121 H ASP 121 7.824 -17.270 24.590 836 HA ASP 121 HA ASP 121 10.524 -17.119 23.922 837 1HB ASP 121 1HB ASP 121 10.849 -18.508 25.925 838 2HB ASP 121 2HB ASP 121 9.520 -17.378 26.186 839 H TYR 122 H TYR 122 8.353 -19.916 23.530 840 HA TYR 122 HA TYR 122 10.289 -21.874 22.826 841 1HB TYR 122 1HB TYR 122 7.552 -21.678 23.090 842 2HB TYR 122 2HB TYR 122 7.736 -21.935 21.355 843 HD1 TYR 122 HD1 TYR 122 9.385 -23.841 20.638 844 HD2 TYR 122 HD2 TYR 122 7.634 -23.512 24.546 845 HE1 TYR 122 HE1 TYR 122 9.838 -26.246 21.043 846 HE2 TYR 122 HE2 TYR 122 8.089 -25.916 24.953 847 HH TYR 122 HH TYR 122 8.878 -28.074 22.518 848 H LEU 123 H LEU 123 9.189 -19.087 21.095 849 HA LEU 123 HA LEU 123 10.456 -20.113 18.576 850 1HB LEU 123 1HB LEU 123 7.986 -18.755 19.225 851 2HB LEU 123 2HB LEU 123 8.934 -17.772 18.108 852 HG LEU 123 HG LEU 123 9.115 -20.487 17.244 853 1HD1 LEU 123 1HD1 LEU 123 6.347 -19.545 17.998 854 2HD1 LEU 123 2HD1 LEU 123 6.602 -20.717 16.706 855 3HD1 LEU 123 3HD1 LEU 123 7.108 -21.095 18.353 856 1HD2 LEU 123 1HD2 LEU 123 7.740 -18.006 16.184 857 2HD2 LEU 123 2HD2 LEU 123 9.328 -18.625 15.736 858 3HD2 LEU 123 3HD2 LEU 123 7.874 -19.503 15.261 859 H GLN 124 H GLN 124 10.663 -17.806 21.126 860 HA GLN 124 HA GLN 124 12.042 -15.667 19.791 861 1HB GLN 124 1HB GLN 124 10.913 -15.873 22.133 862 2HB GLN 124 2HB GLN 124 12.469 -16.519 22.654 863 1HG GLN 124 1HG GLN 124 13.578 -14.509 22.296 864 2HG GLN 124 2HG GLN 124 12.425 -13.972 21.074 865 2HE2 GLN 124 2HE2 GLN 124 10.347 -13.085 21.840 866 1HE2 GLN 124 1HE2 GLN 124 10.169 -12.556 23.442 867 H ASN 125 H ASN 125 13.054 -18.827 20.861 868 HA ASN 125 HA ASN 125 15.884 -18.291 21.111 869 1HB ASN 125 1HB ASN 125 13.994 -20.512 21.184 870 2HB ASN 125 2HB ASN 125 15.506 -20.971 20.402 871 2HD2 ASN 125 2HD2 ASN 125 14.127 -19.710 23.434 872 1HD2 ASN 125 1HD2 ASN 125 15.484 -20.056 24.393 873 H ARG 126 H ARG 126 13.802 -18.471 18.404 874 HA ARG 126 HA ARG 126 16.126 -19.002 16.581 875 1HB ARG 126 1HB ARG 126 13.566 -20.184 16.834 876 2HB ARG 126 2HB ARG 126 13.518 -19.229 15.352 877 1HG ARG 126 1HG ARG 126 15.857 -20.331 14.892 878 2HG ARG 126 2HG ARG 126 15.313 -21.534 16.060 879 1HD ARG 126 1HD ARG 126 13.806 -22.428 14.594 880 2HD ARG 126 2HD ARG 126 13.290 -20.831 14.021 881 HE ARG 126 HE ARG 126 15.847 -22.140 13.148 882 1HH1 ARG 126 1HH1 ARG 126 14.020 -19.343 12.896 883 2HH1 ARG 126 2HH1 ARG 126 14.003 -19.295 11.165 884 1HH2 ARG 126 1HH2 ARG 126 15.438 -22.430 10.798 885 2HH2 ARG 126 2HH2 ARG 126 14.805 -21.042 9.978 886 H VAL 127 H VAL 127 14.853 -16.427 17.850 887 HA VAL 127 HA VAL 127 13.552 -14.803 16.007 888 HB VAL 127 HB VAL 127 14.226 -14.239 18.337 889 1HG1 VAL 127 1HG1 VAL 127 16.697 -15.082 17.633 890 2HG1 VAL 127 2HG1 VAL 127 16.909 -13.345 17.419 891 3HG1 VAL 127 3HG1 VAL 127 16.412 -13.984 18.985 892 1HG2 VAL 127 1HG2 VAL 127 13.894 -12.540 16.235 893 2HG2 VAL 127 2HG2 VAL 127 14.127 -12.000 17.898 894 3HG2 VAL 127 3HG2 VAL 127 15.497 -12.055 16.789 895 H ILE 128 H ILE 128 14.066 -14.681 13.845 896 HA ILE 128 HA ILE 128 16.926 -14.116 13.135 897 HB ILE 128 HB ILE 128 16.128 -16.439 12.616 898 1HG1 ILE 128 1HG1 ILE 128 16.524 -14.818 10.092 899 2HG1 ILE 128 2HG1 ILE 128 17.835 -15.152 11.224 900 1HG2 ILE 128 1HG2 ILE 128 13.785 -15.129 11.902 901 2HG2 ILE 128 2HG2 ILE 128 14.487 -15.583 10.349 902 3HG2 ILE 128 3HG2 ILE 128 14.159 -16.818 11.565 903 1HD1 ILE 128 1HD1 ILE 128 17.136 -17.633 10.991 904 2HD1 ILE 128 2HD1 ILE 128 16.245 -17.106 9.562 905 3HD1 ILE 128 3HD1 ILE 128 17.995 -16.899 9.637 No H/Q in entry = 905 Start of MODEL 18 1 H2 PRO 1 H2 PRO 1 -20.096 -14.194 13.622 2 H3 PRO 1 H3 PRO 1 -20.531 -15.805 13.958 3 HA PRO 1 HA PRO 1 -18.383 -16.329 13.899 4 1HB PRO 1 1HB PRO 1 -17.582 -15.952 11.312 5 2HB PRO 1 2HB PRO 1 -18.680 -17.256 11.803 6 1HG PRO 1 1HG PRO 1 -19.290 -14.640 10.519 7 2HG PRO 1 2HG PRO 1 -20.022 -16.228 10.248 8 1HD PRO 1 1HD PRO 1 -21.170 -14.249 11.752 9 2HD PRO 1 2HD PRO 1 -21.492 -15.980 11.980 10 H THR 2 H THR 2 -18.189 -14.122 15.199 11 HA THR 2 HA THR 2 -16.461 -12.194 13.696 12 HB THR 2 HB THR 2 -17.940 -11.963 16.338 13 HG1 THR 2 HG1 THR 2 -19.317 -10.618 15.033 14 1HG2 THR 2 1HG2 THR 2 -16.452 -9.960 14.626 15 2HG2 THR 2 2HG2 THR 2 -17.540 -9.503 15.936 16 3HG2 THR 2 3HG2 THR 2 -16.081 -10.431 16.285 17 H VAL 3 H VAL 3 -14.300 -12.470 14.052 18 HA VAL 3 HA VAL 3 -13.422 -13.648 16.667 19 HB VAL 3 HB VAL 3 -12.108 -13.584 13.928 20 1HG1 VAL 3 1HG1 VAL 3 -11.325 -14.864 16.559 21 2HG1 VAL 3 2HG1 VAL 3 -10.622 -15.338 15.012 22 3HG1 VAL 3 3HG1 VAL 3 -10.400 -13.695 15.615 23 1HG2 VAL 3 1HG2 VAL 3 -14.256 -15.100 14.695 24 2HG2 VAL 3 2HG2 VAL 3 -13.071 -15.601 13.489 25 3HG2 VAL 3 3HG2 VAL 3 -12.914 -16.146 15.159 26 H GLU 4 H GLU 4 -12.669 -12.017 17.993 27 HA GLU 4 HA GLU 4 -11.627 -9.511 16.849 28 1HB GLU 4 1HB GLU 4 -13.074 -10.120 19.035 29 2HB GLU 4 2HB GLU 4 -11.464 -10.172 19.753 30 1HG GLU 4 1HG GLU 4 -11.002 -7.911 19.090 31 2HG GLU 4 2HG GLU 4 -12.436 -7.853 18.065 32 H TYR 5 H TYR 5 -9.508 -9.443 16.195 33 HA TYR 5 HA TYR 5 -7.526 -11.269 17.455 34 1HB TYR 5 1HB TYR 5 -6.137 -10.573 15.545 35 2HB TYR 5 2HB TYR 5 -7.738 -11.060 14.989 36 HD1 TYR 5 HD1 TYR 5 -5.476 -8.202 15.574 37 HD2 TYR 5 HD2 TYR 5 -9.330 -9.433 14.135 38 HE1 TYR 5 HE1 TYR 5 -5.797 -5.978 14.525 39 HE2 TYR 5 HE2 TYR 5 -9.651 -7.211 13.087 40 HH TYR 5 HH TYR 5 -7.348 -4.590 13.598 41 H LEU 6 H LEU 6 -5.627 -10.473 18.493 42 HA LEU 6 HA LEU 6 -5.386 -7.536 18.914 43 1HB LEU 6 1HB LEU 6 -6.802 -8.185 20.720 44 2HB LEU 6 2HB LEU 6 -5.897 -9.669 20.998 45 HG LEU 6 HG LEU 6 -4.192 -8.576 22.136 46 1HD1 LEU 6 1HD1 LEU 6 -4.792 -6.382 20.245 47 2HD1 LEU 6 2HD1 LEU 6 -4.260 -5.862 21.845 48 3HD1 LEU 6 3HD1 LEU 6 -3.238 -6.928 20.880 49 1HD2 LEU 6 1HD2 LEU 6 -6.736 -7.999 22.937 50 2HD2 LEU 6 2HD2 LEU 6 -5.287 -7.589 23.858 51 3HD2 LEU 6 3HD2 LEU 6 -6.039 -6.383 22.814 52 H ASN 7 H ASN 7 -3.265 -7.017 18.661 53 HA ASN 7 HA ASN 7 -1.180 -8.897 18.209 54 1HB ASN 7 1HB ASN 7 -1.331 -6.526 17.457 55 2HB ASN 7 2HB ASN 7 -1.023 -6.013 19.113 56 2HD2 ASN 7 2HD2 ASN 7 0.960 -4.993 17.940 57 1HD2 ASN 7 1HD2 ASN 7 2.343 -5.965 17.798 58 H TYR 8 H TYR 8 -0.161 -10.181 19.674 59 HA TYR 8 HA TYR 8 -0.407 -9.954 22.518 60 1HB TYR 8 1HB TYR 8 0.198 -12.060 21.692 61 2HB TYR 8 2HB TYR 8 1.351 -11.387 20.544 62 HD1 TYR 8 HD1 TYR 8 3.527 -10.418 21.410 63 HD2 TYR 8 HD2 TYR 8 0.873 -12.729 23.876 64 HE1 TYR 8 HE1 TYR 8 5.368 -10.814 23.020 65 HE2 TYR 8 HE2 TYR 8 2.716 -13.122 25.489 66 HH TYR 8 HH TYR 8 6.004 -11.914 24.850 67 H GLU 9 H GLU 9 1.940 -8.664 20.210 68 HA GLU 9 HA GLU 9 3.972 -7.819 22.008 69 1HB GLU 9 1HB GLU 9 2.910 -6.744 19.382 70 2HB GLU 9 2HB GLU 9 4.383 -6.136 20.136 71 1HG GLU 9 1HG GLU 9 4.737 -8.879 20.223 72 2HG GLU 9 2HG GLU 9 3.930 -8.639 18.673 73 H THR 10 H THR 10 0.925 -6.268 21.017 74 HA THR 10 HA THR 10 1.344 -3.725 22.253 75 HB THR 10 HB THR 10 -1.231 -5.305 21.937 76 HG1 THR 10 HG1 THR 10 -1.245 -4.071 19.911 77 1HG2 THR 10 1HG2 THR 10 -0.558 -2.551 22.699 78 2HG2 THR 10 2HG2 THR 10 -1.723 -2.649 21.379 79 3HG2 THR 10 3HG2 THR 10 -2.064 -3.442 22.917 80 H LEU 11 H LEU 11 0.159 -6.818 23.521 81 HA LEU 11 HA LEU 11 -0.646 -5.840 26.112 82 1HB LEU 11 1HB LEU 11 -1.510 -7.922 25.408 83 2HB LEU 11 2HB LEU 11 0.068 -8.495 24.869 84 HG LEU 11 HG LEU 11 0.822 -8.833 27.107 85 1HD1 LEU 11 1HD1 LEU 11 -1.240 -6.830 27.688 86 2HD1 LEU 11 2HD1 LEU 11 -1.232 -8.164 28.843 87 3HD1 LEU 11 3HD1 LEU 11 0.232 -7.216 28.580 88 1HD2 LEU 11 1HD2 LEU 11 -1.847 -9.842 26.350 89 2HD2 LEU 11 2HD2 LEU 11 -0.422 -10.726 26.897 90 3HD2 LEU 11 3HD2 LEU 11 -1.485 -9.954 28.073 91 H ASP 12 H ASP 12 2.377 -7.273 24.865 92 HA ASP 12 HA ASP 12 3.729 -7.159 27.452 93 1HB ASP 12 1HB ASP 12 4.723 -7.538 24.607 94 2HB ASP 12 2HB ASP 12 5.657 -7.876 26.065 95 H ASP 13 H ASP 13 3.856 -5.259 24.427 96 HA ASP 13 HA ASP 13 5.909 -3.439 25.255 97 1HB ASP 13 1HB ASP 13 5.039 -3.864 22.936 98 2HB ASP 13 2HB ASP 13 3.566 -2.999 23.377 99 H GLN 14 H GLN 14 2.338 -3.149 25.343 100 HA GLN 14 HA GLN 14 2.339 -0.573 26.656 101 1HB GLN 14 1HB GLN 14 0.537 -1.820 25.259 102 2HB GLN 14 2HB GLN 14 0.146 -2.644 26.768 103 1HG GLN 14 1HG GLN 14 -0.888 -0.816 27.612 104 2HG GLN 14 2HG GLN 14 0.425 0.250 27.112 105 2HE2 GLN 14 2HE2 GLN 14 0.410 -0.018 24.337 106 1HE2 GLN 14 1HE2 GLN 14 -1.084 0.487 23.708 107 H GLY 15 H GLY 15 2.969 -3.748 27.783 108 1HA GLY 15 1HA GLY 15 3.385 -2.874 30.488 109 2HA GLY 15 2HA GLY 15 3.384 -4.554 29.950 110 H TRP 16 H TRP 16 0.663 -4.333 28.811 111 HA TRP 16 HA TRP 16 -1.106 -3.660 31.063 112 1HB TRP 16 1HB TRP 16 -1.237 -4.268 28.202 113 2HB TRP 16 2HB TRP 16 -2.538 -5.039 29.109 114 HD1 TRP 16 HD1 TRP 16 -4.473 -3.448 28.417 115 HE1 TRP 16 HE1 TRP 16 -4.989 -0.965 28.879 116 HE3 TRP 16 HE3 TRP 16 0.024 -1.952 30.317 117 HZ2 TRP 16 HZ2 TRP 16 -3.668 1.350 29.918 118 HZ3 TRP 16 HZ3 TRP 16 0.368 0.397 31.034 119 HH2 TRP 16 HH2 TRP 16 -1.470 2.047 30.837 120 H ASP 17 H ASP 17 -2.917 -5.543 31.340 121 HA ASP 17 HA ASP 17 -1.407 -7.906 32.326 122 1HB ASP 17 1HB ASP 17 -4.315 -7.142 32.701 123 2HB ASP 17 2HB ASP 17 -3.358 -8.229 33.707 124 H MET 18 H MET 18 -2.917 -10.011 32.155 125 HA MET 18 HA MET 18 -3.170 -10.605 29.317 126 1HB MET 18 1HB MET 18 -3.722 -12.040 31.920 127 2HB MET 18 2HB MET 18 -4.062 -12.792 30.362 128 1HG MET 18 1HG MET 18 -1.861 -13.138 29.920 129 2HG MET 18 2HG MET 18 -1.398 -11.549 30.529 130 1HE MET 18 1HE MET 18 -0.600 -14.850 30.732 131 2HE MET 18 2HE MET 18 0.658 -13.689 31.146 132 3HE MET 18 3HE MET 18 0.217 -14.966 32.288 133 H ASP 19 H ASP 19 -5.544 -10.620 32.010 134 HA ASP 19 HA ASP 19 -7.668 -9.962 29.993 135 1HB ASP 19 1HB ASP 19 -7.562 -12.344 30.910 136 2HB ASP 19 2HB ASP 19 -7.978 -11.661 32.482 137 H ASP 20 H ASP 20 -6.047 -9.009 32.809 138 HA ASP 20 HA ASP 20 -8.157 -7.831 34.355 139 1HB ASP 20 1HB ASP 20 -5.344 -8.116 34.382 140 2HB ASP 20 2HB ASP 20 -5.656 -6.383 34.470 141 H ASP 21 H ASP 21 -5.863 -6.300 32.054 142 HA ASP 21 HA ASP 21 -7.379 -3.800 32.027 143 1HB ASP 21 1HB ASP 21 -4.905 -4.963 30.845 144 2HB ASP 21 2HB ASP 21 -5.630 -3.606 29.984 145 H ASP 22 H ASP 22 -7.862 -6.779 30.543 146 HA ASP 22 HA ASP 22 -9.069 -7.447 28.613 147 1HB ASP 22 1HB ASP 22 -10.379 -4.837 29.448 148 2HB ASP 22 2HB ASP 22 -11.111 -6.004 28.346 149 H LEU 23 H LEU 23 -6.716 -6.402 27.766 150 HA LEU 23 HA LEU 23 -6.412 -4.128 26.276 151 1HB LEU 23 1HB LEU 23 -5.688 -7.006 25.830 152 2HB LEU 23 2HB LEU 23 -5.272 -5.821 24.591 153 HG LEU 23 HG LEU 23 -4.633 -5.180 27.444 154 1HD1 LEU 23 1HD1 LEU 23 -3.757 -7.572 26.230 155 2HD1 LEU 23 2HD1 LEU 23 -2.399 -6.453 26.126 156 3HD1 LEU 23 3HD1 LEU 23 -3.116 -6.825 27.694 157 1HD2 LEU 23 1HD2 LEU 23 -3.425 -4.612 24.727 158 2HD2 LEU 23 2HD2 LEU 23 -4.197 -3.466 25.822 159 3HD2 LEU 23 3HD2 LEU 23 -2.633 -4.166 26.239 160 H PHE 24 H PHE 24 -8.083 -7.055 25.052 161 HA PHE 24 HA PHE 24 -8.826 -6.299 22.501 162 1HB PHE 24 1HB PHE 24 -10.203 -7.752 24.748 163 2HB PHE 24 2HB PHE 24 -11.064 -7.497 23.230 164 HD1 PHE 24 HD1 PHE 24 -9.856 -8.188 21.050 165 HD2 PHE 24 HD2 PHE 24 -8.662 -9.518 24.955 166 HE1 PHE 24 HE1 PHE 24 -8.623 -10.081 20.029 167 HE2 PHE 24 HE2 PHE 24 -7.431 -11.412 23.934 168 HZ PHE 24 HZ PHE 24 -7.411 -11.694 21.469 169 H GLU 25 H GLU 25 -9.965 -5.000 25.542 170 HA GLU 25 HA GLU 25 -12.011 -3.322 24.158 171 1HB GLU 25 1HB GLU 25 -11.348 -3.939 27.051 172 2HB GLU 25 2HB GLU 25 -12.609 -2.804 26.570 173 1HG GLU 25 1HG GLU 25 -12.986 -5.176 25.045 174 2HG GLU 25 2HG GLU 25 -12.752 -5.667 26.722 175 H LYS 26 H LYS 26 -9.368 -2.911 26.553 176 HA LYS 26 HA LYS 26 -9.274 -0.056 26.415 177 1HB LYS 26 1HB LYS 26 -7.545 -2.312 27.333 178 2HB LYS 26 2HB LYS 26 -6.787 -0.727 27.174 179 1HG LYS 26 1HG LYS 26 -9.371 -1.182 28.686 180 2HG LYS 26 2HG LYS 26 -7.785 -1.204 29.457 181 1HD LYS 26 1HD LYS 26 -7.647 1.120 28.015 182 2HD LYS 26 2HD LYS 26 -9.357 1.081 28.446 183 1HE LYS 26 1HE LYS 26 -8.199 0.358 30.828 184 2HE LYS 26 2HE LYS 26 -6.999 1.493 30.178 185 1HZ LYS 26 1HZ LYS 26 -8.949 2.954 29.601 186 2HZ LYS 26 2HZ LYS 26 -9.912 1.934 30.559 187 3HZ LYS 26 3HZ LYS 26 -8.632 2.800 31.263 188 H ALA 27 H ALA 27 -8.089 -2.515 24.261 189 HA ALA 27 HA ALA 27 -5.997 -0.977 22.985 190 1HB ALA 27 1HB ALA 27 -7.702 -3.341 22.139 191 2HB ALA 27 2HB ALA 27 -6.296 -2.774 21.239 192 3HB ALA 27 3HB ALA 27 -6.101 -3.404 22.875 193 H ALA 28 H ALA 28 -9.424 -0.813 22.873 194 HA ALA 28 HA ALA 28 -9.606 0.248 20.138 195 1HB ALA 28 1HB ALA 28 -11.302 -1.108 21.641 196 2HB ALA 28 2HB ALA 28 -11.718 0.489 22.263 197 3HB ALA 28 3HB ALA 28 -11.909 0.134 20.545 198 H ASP 29 H ASP 29 -9.296 1.493 23.406 199 HA ASP 29 HA ASP 29 -9.948 4.256 22.599 200 1HB ASP 29 1HB ASP 29 -10.509 3.079 24.811 201 2HB ASP 29 2HB ASP 29 -8.799 3.248 25.210 202 H ALA 30 H ALA 30 -7.117 2.297 23.400 203 HA ALA 30 HA ALA 30 -5.192 4.414 23.555 204 1HB ALA 30 1HB ALA 30 -4.635 2.265 24.405 205 2HB ALA 30 2HB ALA 30 -5.132 1.461 22.915 206 3HB ALA 30 3HB ALA 30 -3.652 2.420 22.949 207 H GLY 31 H GLY 31 -6.602 2.658 20.846 208 1HA GLY 31 1HA GLY 31 -5.424 4.624 18.987 209 2HA GLY 31 2HA GLY 31 -6.668 3.440 18.588 210 H LEU 32 H LEU 32 -5.799 1.058 18.827 211 HA LEU 32 HA LEU 32 -2.932 0.803 18.105 212 1HB LEU 32 1HB LEU 32 -5.042 -0.784 19.329 213 2HB LEU 32 2HB LEU 32 -4.216 -1.693 18.064 214 HG LEU 32 HG LEU 32 -3.023 -2.051 20.142 215 1HD1 LEU 32 1HD1 LEU 32 -1.798 -1.423 17.897 216 2HD1 LEU 32 2HD1 LEU 32 -1.344 0.034 18.781 217 3HD1 LEU 32 3HD1 LEU 32 -0.870 -1.551 19.391 218 1HD2 LEU 32 1HD2 LEU 32 -3.487 0.865 20.412 219 2HD2 LEU 32 2HD2 LEU 32 -3.416 -0.383 21.655 220 3HD2 LEU 32 3HD2 LEU 32 -1.925 0.284 20.989 221 H ASP 33 H ASP 33 -2.270 -0.177 16.110 222 HA ASP 33 HA ASP 33 -3.725 0.520 13.765 223 1HB ASP 33 1HB ASP 33 -1.419 -1.274 14.474 224 2HB ASP 33 2HB ASP 33 -2.040 -1.278 12.823 225 H GLY 34 H GLY 34 -4.925 -0.817 12.297 226 1HA GLY 34 1HA GLY 34 -6.531 -2.451 11.783 227 2HA GLY 34 2HA GLY 34 -6.624 -2.791 13.511 228 H GLU 35 H GLU 35 -3.473 -2.965 12.166 229 HA GLU 35 HA GLU 35 -3.580 -5.771 11.357 230 1HB GLU 35 1HB GLU 35 -2.048 -3.845 10.562 231 2HB GLU 35 2HB GLU 35 -1.138 -4.127 12.047 232 1HG GLU 35 1HG GLU 35 -0.807 -6.483 11.403 233 2HG GLU 35 2HG GLU 35 -1.733 -6.214 9.927 234 H ASP 36 H ASP 36 -3.491 -4.191 14.349 235 HA ASP 36 HA ASP 36 -2.152 -6.528 15.684 236 1HB ASP 36 1HB ASP 36 -2.465 -3.584 16.314 237 2HB ASP 36 2HB ASP 36 -1.989 -4.739 17.558 238 H TYR 37 H TYR 37 -4.781 -4.133 16.153 239 HA TYR 37 HA TYR 37 -6.331 -6.276 17.568 240 1HB TYR 37 1HB TYR 37 -5.576 -4.782 19.249 241 2HB TYR 37 2HB TYR 37 -5.823 -3.371 18.220 242 HD1 TYR 37 HD1 TYR 37 -7.960 -6.299 19.203 243 HD2 TYR 37 HD2 TYR 37 -7.554 -2.028 19.014 244 HE1 TYR 37 HE1 TYR 37 -10.258 -6.041 20.099 245 HE2 TYR 37 HE2 TYR 37 -9.851 -1.769 19.911 246 HH TYR 37 HH TYR 37 -11.704 -2.811 20.540 247 H GLY 38 H GLY 38 -8.615 -6.207 17.197 248 1HA GLY 38 1HA GLY 38 -9.381 -4.939 14.660 249 2HA GLY 38 2HA GLY 38 -10.254 -4.349 16.075 250 H THR 39 H THR 39 -12.206 -5.280 15.082 251 HA THR 39 HA THR 39 -12.666 -8.039 15.981 252 HB THR 39 HB THR 39 -14.444 -6.067 14.510 253 HG1 THR 39 HG1 THR 39 -15.111 -5.493 16.594 254 1HG2 THR 39 1HG2 THR 39 -15.023 -8.519 16.189 255 2HG2 THR 39 2HG2 THR 39 -16.252 -7.370 15.659 256 3HG2 THR 39 3HG2 THR 39 -15.354 -8.311 14.469 257 H MET 40 H MET 40 -12.181 -9.747 14.640 258 HA MET 40 HA MET 40 -11.940 -9.297 11.726 259 1HB MET 40 1HB MET 40 -10.508 -10.727 13.532 260 2HB MET 40 2HB MET 40 -11.586 -11.986 12.931 261 1HG MET 40 1HG MET 40 -10.735 -11.877 10.779 262 2HG MET 40 2HG MET 40 -10.261 -10.186 10.940 263 1HE MET 40 1HE MET 40 -8.743 -12.652 9.698 264 2HE MET 40 2HE MET 40 -7.463 -13.383 10.676 265 3HE MET 40 3HE MET 40 -9.149 -13.808 10.964 266 H GLU 41 H GLU 41 -14.219 -9.073 11.163 267 HA GLU 41 HA GLU 41 -16.064 -11.288 11.808 268 1HB GLU 41 1HB GLU 41 -16.214 -8.663 10.307 269 2HB GLU 41 2HB GLU 41 -17.572 -9.789 10.349 270 1HG GLU 41 1HG GLU 41 -17.322 -9.752 12.902 271 2HG GLU 41 2HG GLU 41 -16.267 -8.357 12.671 272 H VAL 42 H VAL 42 -15.765 -13.140 10.591 273 HA VAL 42 HA VAL 42 -15.475 -12.796 7.624 274 HB VAL 42 HB VAL 42 -13.783 -14.519 7.634 275 1HG1 VAL 42 1HG1 VAL 42 -13.447 -12.404 9.762 276 2HG1 VAL 42 2HG1 VAL 42 -12.146 -13.532 9.381 277 3HG1 VAL 42 3HG1 VAL 42 -12.763 -12.447 8.136 278 1HG2 VAL 42 1HG2 VAL 42 -14.550 -14.828 10.548 279 2HG2 VAL 42 2HG2 VAL 42 -14.677 -16.038 9.271 280 3HG2 VAL 42 3HG2 VAL 42 -13.090 -15.536 9.855 281 H ALA 43 H ALA 43 -16.062 -14.896 6.470 282 HA ALA 43 HA ALA 43 -18.633 -15.868 7.413 283 1HB ALA 43 1HB ALA 43 -16.958 -15.891 5.042 284 2HB ALA 43 2HB ALA 43 -18.708 -16.078 5.162 285 3HB ALA 43 3HB ALA 43 -17.657 -17.486 5.322 286 H GLU 44 H GLU 44 -19.089 -17.869 8.360 287 HA GLU 44 HA GLU 44 -17.152 -19.206 9.931 288 1HB GLU 44 1HB GLU 44 -19.884 -19.245 9.520 289 2HB GLU 44 2HB GLU 44 -19.396 -20.844 8.961 290 1HG GLU 44 1HG GLU 44 -17.935 -20.694 11.233 291 2HG GLU 44 2HG GLU 44 -19.304 -19.682 11.694 292 H GLY 45 H GLY 45 -15.444 -20.424 9.237 293 1HA GLY 45 1HA GLY 45 -15.850 -22.167 6.847 294 2HA GLY 45 2HA GLY 45 -14.708 -22.506 8.148 295 H GLU 46 H GLU 46 -14.329 -19.327 7.842 296 HA GLU 46 HA GLU 46 -12.598 -19.384 5.419 297 1HB GLU 46 1HB GLU 46 -14.342 -17.541 6.598 298 2HB GLU 46 2HB GLU 46 -12.735 -16.901 6.946 299 1HG GLU 46 1HG GLU 46 -13.646 -17.788 4.193 300 2HG GLU 46 2HG GLU 46 -13.676 -16.114 4.750 301 H TYR 47 H TYR 47 -10.377 -19.431 5.602 302 HA TYR 47 HA TYR 47 -9.075 -20.037 8.073 303 1HB TYR 47 1HB TYR 47 -7.896 -18.846 5.545 304 2HB TYR 47 2HB TYR 47 -7.069 -19.869 6.719 305 HD1 TYR 47 HD1 TYR 47 -8.185 -22.217 7.166 306 HD2 TYR 47 HD2 TYR 47 -8.870 -19.830 3.661 307 HE1 TYR 47 HE1 TYR 47 -8.946 -24.235 5.941 308 HE2 TYR 47 HE2 TYR 47 -9.631 -21.849 2.436 309 HH TYR 47 HH TYR 47 -10.673 -24.154 3.163 310 H ILE 48 H ILE 48 -8.729 -18.636 9.739 311 HA ILE 48 HA ILE 48 -9.243 -15.945 9.945 312 HB ILE 48 HB ILE 48 -7.045 -17.659 11.116 313 1HG1 ILE 48 1HG1 ILE 48 -9.409 -18.212 11.648 314 2HG1 ILE 48 2HG1 ILE 48 -8.525 -17.663 13.072 315 1HG2 ILE 48 1HG2 ILE 48 -6.360 -15.271 11.192 316 2HG2 ILE 48 2HG2 ILE 48 -7.885 -14.876 11.986 317 3HG2 ILE 48 3HG2 ILE 48 -6.709 -15.906 12.800 318 1HD1 ILE 48 1HD1 ILE 48 -9.416 -15.324 12.553 319 2HD1 ILE 48 2HD1 ILE 48 -10.501 -16.098 11.397 320 3HD1 ILE 48 3HD1 ILE 48 -10.611 -16.495 13.112 321 H LEU 49 H LEU 49 -5.865 -17.041 9.454 322 HA LEU 49 HA LEU 49 -4.681 -14.627 8.786 323 1HB LEU 49 1HB LEU 49 -3.364 -16.589 9.009 324 2HB LEU 49 2HB LEU 49 -4.292 -17.450 7.781 325 HG LEU 49 HG LEU 49 -3.005 -14.934 6.884 326 1HD1 LEU 49 1HD1 LEU 49 -1.412 -17.416 7.589 327 2HD1 LEU 49 2HD1 LEU 49 -0.803 -16.082 6.609 328 3HD1 LEU 49 3HD1 LEU 49 -1.223 -15.814 8.302 329 1HD2 LEU 49 1HD2 LEU 49 -3.270 -17.754 5.801 330 2HD2 LEU 49 2HD2 LEU 49 -4.208 -16.343 5.314 331 3HD2 LEU 49 3HD2 LEU 49 -2.488 -16.432 4.933 332 H GLU 50 H GLU 50 -6.524 -16.752 6.584 333 HA GLU 50 HA GLU 50 -6.056 -15.116 4.230 334 1HB GLU 50 1HB GLU 50 -6.613 -17.552 4.264 335 2HB GLU 50 2HB GLU 50 -8.221 -17.145 4.863 336 1HG GLU 50 1HG GLU 50 -8.940 -16.634 2.789 337 2HG GLU 50 2HG GLU 50 -7.565 -15.563 2.520 338 H ALA 51 H ALA 51 -8.767 -15.445 6.532 339 HA ALA 51 HA ALA 51 -10.599 -13.689 5.277 340 1HB ALA 51 1HB ALA 51 -10.193 -15.044 7.789 341 2HB ALA 51 2HB ALA 51 -11.711 -14.532 7.051 342 3HB ALA 51 3HB ALA 51 -10.814 -13.420 8.085 343 H ALA 52 H ALA 52 -8.182 -12.966 7.790 344 HA ALA 52 HA ALA 52 -8.704 -10.106 7.739 345 1HB ALA 52 1HB ALA 52 -6.237 -10.499 8.918 346 2HB ALA 52 2HB ALA 52 -7.015 -12.065 9.134 347 3HB ALA 52 3HB ALA 52 -7.784 -10.604 9.755 348 H GLU 53 H GLU 53 -6.437 -12.267 6.125 349 HA GLU 53 HA GLU 53 -4.548 -10.339 5.204 350 1HB GLU 53 1HB GLU 53 -4.160 -12.731 5.089 351 2HB GLU 53 2HB GLU 53 -5.570 -12.952 4.054 352 1HG GLU 53 1HG GLU 53 -4.508 -11.630 2.283 353 2HG GLU 53 2HG GLU 53 -3.118 -11.321 3.323 354 H ALA 54 H ALA 54 -7.722 -11.287 4.005 355 HA ALA 54 HA ALA 54 -7.513 -9.872 1.472 356 1HB ALA 54 1HB ALA 54 -9.071 -11.616 1.512 357 2HB ALA 54 2HB ALA 54 -9.639 -11.202 3.130 358 3HB ALA 54 3HB ALA 54 -10.118 -10.216 1.748 359 H GLN 55 H GLN 55 -7.742 -8.780 4.642 360 HA GLN 55 HA GLN 55 -9.312 -6.348 3.881 361 1HB GLN 55 1HB GLN 55 -8.726 -7.870 6.400 362 2HB GLN 55 2HB GLN 55 -9.117 -6.154 6.520 363 1HG GLN 55 1HG GLN 55 -11.103 -6.811 4.905 364 2HG GLN 55 2HG GLN 55 -10.823 -8.426 5.557 365 2HE2 GLN 55 2HE2 GLN 55 -12.454 -8.706 7.108 366 1HE2 GLN 55 1HE2 GLN 55 -12.803 -7.600 8.348 367 H GLY 56 H GLY 56 -6.125 -7.454 4.396 368 1HA GLY 56 1HA GLY 56 -5.199 -4.636 4.789 369 2HA GLY 56 2HA GLY 56 -4.349 -5.796 3.770 370 H TYR 57 H TYR 57 -5.605 -7.287 6.538 371 HA TYR 57 HA TYR 57 -3.518 -6.637 8.443 372 1HB TYR 57 1HB TYR 57 -5.408 -9.000 8.205 373 2HB TYR 57 2HB TYR 57 -4.522 -8.551 9.661 374 HD1 TYR 57 HD1 TYR 57 -4.896 -5.447 8.824 375 HD2 TYR 57 HD2 TYR 57 -7.524 -8.770 9.524 376 HE1 TYR 57 HE1 TYR 57 -6.714 -3.879 9.441 377 HE2 TYR 57 HE2 TYR 57 -9.341 -7.206 10.139 378 HH TYR 57 HH TYR 57 -8.901 -3.688 9.883 379 H ASP 58 H ASP 58 -1.567 -7.698 8.803 380 HA ASP 58 HA ASP 58 -0.862 -9.904 6.893 381 1HB ASP 58 1HB ASP 58 0.226 -7.481 6.948 382 2HB ASP 58 2HB ASP 58 1.153 -8.168 8.282 383 H TRP 59 H TRP 59 -0.084 -11.806 7.808 384 HA TRP 59 HA TRP 59 0.452 -11.804 10.761 385 1HB TRP 59 1HB TRP 59 -0.979 -13.954 9.167 386 2HB TRP 59 2HB TRP 59 -0.844 -13.843 10.920 387 HD1 TRP 59 HD1 TRP 59 -2.149 -11.542 8.084 388 HE1 TRP 59 HE1 TRP 59 -4.328 -10.437 8.896 389 HE3 TRP 59 HE3 TRP 59 -2.478 -13.555 12.767 390 HZ2 TRP 59 HZ2 TRP 59 -5.998 -10.413 11.207 391 HZ3 TRP 59 HZ3 TRP 59 -4.379 -12.975 14.249 392 HH2 TRP 59 HH2 TRP 59 -6.136 -11.407 13.474 393 HA PRO 60 HA PRO 60 4.064 -14.088 9.750 394 1HB PRO 60 1HB PRO 60 4.259 -15.787 11.889 395 2HB PRO 60 2HB PRO 60 4.608 -14.052 12.000 396 1HG PRO 60 1HG PRO 60 2.168 -15.557 12.809 397 2HG PRO 60 2HG PRO 60 2.965 -14.194 13.604 398 1HD PRO 60 1HD PRO 60 0.704 -13.963 12.079 399 2HD PRO 60 2HD PRO 60 1.874 -12.648 12.313 400 H PHE 61 H PHE 61 4.595 -16.000 8.633 401 HA PHE 61 HA PHE 61 3.036 -18.456 8.940 402 1HB PHE 61 1HB PHE 61 2.071 -18.326 6.649 403 2HB PHE 61 2HB PHE 61 1.488 -17.015 7.677 404 HD1 PHE 61 HD1 PHE 61 4.254 -17.810 5.270 405 HD2 PHE 61 HD2 PHE 61 1.660 -14.813 6.920 406 HE1 PHE 61 HE1 PHE 61 5.151 -16.149 3.662 407 HE2 PHE 61 HE2 PHE 61 2.557 -13.150 5.314 408 HZ PHE 61 HZ PHE 61 4.302 -13.818 3.684 409 H SER 62 H SER 62 4.042 -20.201 7.836 410 HA SER 62 HA SER 62 6.413 -19.578 6.138 411 1HB SER 62 1HB SER 62 7.699 -19.920 7.978 412 2HB SER 62 2HB SER 62 6.339 -20.563 8.897 413 HG SER 62 HG SER 62 7.762 -21.990 6.904 414 H CYS 63 H CYS 63 4.788 -22.354 7.720 415 HA CYS 63 HA CYS 63 5.245 -24.035 5.365 416 1HB CYS 63 1HB CYS 63 4.735 -25.752 6.843 417 2HB CYS 63 2HB CYS 63 5.257 -24.505 7.968 418 H ARG 64 H ARG 64 2.407 -22.526 6.936 419 HA ARG 64 HA ARG 64 0.237 -22.115 6.101 420 1HB ARG 64 1HB ARG 64 1.839 -22.437 3.550 421 2HB ARG 64 2HB ARG 64 0.206 -21.776 3.616 422 1HG ARG 64 1HG ARG 64 2.263 -20.610 5.448 423 2HG ARG 64 2HG ARG 64 2.343 -20.184 3.738 424 1HD ARG 64 1HD ARG 64 -0.347 -19.900 4.247 425 2HD ARG 64 2HD ARG 64 0.374 -19.368 5.777 426 HE ARG 64 HE ARG 64 1.756 -17.771 4.461 427 1HH1 ARG 64 1HH1 ARG 64 1.614 -18.956 1.768 428 2HH1 ARG 64 2HH1 ARG 64 0.419 -17.986 0.975 429 1HH2 ARG 64 1HH2 ARG 64 -0.857 -16.678 3.921 430 2HH2 ARG 64 2HH2 ARG 64 -0.980 -16.696 2.194 431 H ALA 65 H ALA 65 1.031 -24.949 6.615 432 HA ALA 65 HA ALA 65 -1.069 -26.255 4.962 433 1HB ALA 65 1HB ALA 65 1.208 -27.969 5.619 434 2HB ALA 65 2HB ALA 65 0.443 -27.681 4.056 435 3HB ALA 65 3HB ALA 65 1.681 -26.575 4.649 436 H GLY 66 H GLY 66 -0.053 -25.448 8.011 437 1HA GLY 66 1HA GLY 66 -1.785 -27.470 9.239 438 2HA GLY 66 2HA GLY 66 -1.019 -26.120 10.073 439 H ALA 67 H ALA 67 1.691 -26.684 9.234 440 HA ALA 67 HA ALA 67 2.151 -29.234 10.744 441 1HB ALA 67 1HB ALA 67 2.963 -30.007 8.788 442 2HB ALA 67 2HB ALA 67 2.839 -28.413 8.046 443 3HB ALA 67 3HB ALA 67 4.282 -28.850 8.960 444 H CYS 68 H CYS 68 2.501 -26.001 11.100 445 HA CYS 68 HA CYS 68 4.922 -26.374 12.775 446 1HB CYS 68 1HB CYS 68 6.257 -24.918 11.578 447 2HB CYS 68 2HB CYS 68 5.280 -25.555 10.261 448 H ALA 69 H ALA 69 5.344 -23.911 13.783 449 HA ALA 69 HA ALA 69 2.641 -23.013 14.743 450 1HB ALA 69 1HB ALA 69 4.480 -24.415 16.151 451 2HB ALA 69 2HB ALA 69 3.379 -23.259 16.901 452 3HB ALA 69 3HB ALA 69 5.026 -22.774 16.497 453 H ASN 70 H ASN 70 4.981 -21.937 12.809 454 HA ASN 70 HA ASN 70 5.970 -19.502 13.858 455 1HB ASN 70 1HB ASN 70 5.177 -20.415 11.079 456 2HB ASN 70 2HB ASN 70 6.021 -18.896 11.376 457 2HD2 ASN 70 2HD2 ASN 70 8.237 -19.135 11.078 458 1HD2 ASN 70 1HD2 ASN 70 9.130 -20.528 11.455 459 H CYS 71 H CYS 71 2.857 -20.246 12.317 460 HA CYS 71 HA CYS 71 1.960 -17.432 12.479 461 1HB CYS 71 1HB CYS 71 0.073 -18.285 11.232 462 2HB CYS 71 2HB CYS 71 1.510 -19.078 10.586 463 H ALA 72 H ALA 72 2.430 -19.554 14.803 464 HA ALA 72 HA ALA 72 0.148 -20.286 16.161 465 1HB ALA 72 1HB ALA 72 2.197 -20.837 17.127 466 2HB ALA 72 2HB ALA 72 2.821 -19.195 16.975 467 3HB ALA 72 3HB ALA 72 1.630 -19.575 18.219 468 H SER 73 H SER 73 -1.256 -19.315 17.667 469 HA SER 73 HA SER 73 -1.226 -16.334 17.914 470 1HB SER 73 1HB SER 73 -2.947 -17.930 16.305 471 2HB SER 73 2HB SER 73 -3.905 -17.364 17.673 472 HG SER 73 HG SER 73 -3.449 -15.287 17.148 473 H ILE 74 H ILE 74 -3.563 -16.118 19.420 474 HA ILE 74 HA ILE 74 -3.365 -18.072 21.646 475 HB ILE 74 HB ILE 74 -2.888 -15.082 21.867 476 1HG1 ILE 74 1HG1 ILE 74 -0.955 -16.415 21.042 477 2HG1 ILE 74 2HG1 ILE 74 -0.658 -15.736 22.640 478 1HG2 ILE 74 1HG2 ILE 74 -4.228 -16.323 23.729 479 2HG2 ILE 74 2HG2 ILE 74 -2.679 -17.069 24.119 480 3HG2 ILE 74 3HG2 ILE 74 -2.860 -15.317 24.205 481 1HD1 ILE 74 1HD1 ILE 74 -1.668 -18.555 22.158 482 2HD1 ILE 74 2HD1 ILE 74 0.022 -18.144 22.443 483 3HD1 ILE 74 3HD1 ILE 74 -1.178 -17.856 23.701 484 H VAL 75 H VAL 75 -5.565 -18.588 20.962 485 HA VAL 75 HA VAL 75 -7.683 -16.706 20.667 486 HB VAL 75 HB VAL 75 -7.729 -19.079 19.987 487 1HG1 VAL 75 1HG1 VAL 75 -6.492 -19.861 22.059 488 2HG1 VAL 75 2HG1 VAL 75 -8.016 -19.712 22.934 489 3HG1 VAL 75 3HG1 VAL 75 -7.872 -20.856 21.598 490 1HG2 VAL 75 1HG2 VAL 75 -9.803 -17.630 21.221 491 2HG2 VAL 75 2HG2 VAL 75 -9.975 -19.000 20.124 492 3HG2 VAL 75 3HG2 VAL 75 -9.923 -19.267 21.867 493 H LYS 76 H LYS 76 -8.438 -15.301 22.216 494 HA LYS 76 HA LYS 76 -7.996 -15.919 25.086 495 1HB LYS 76 1HB LYS 76 -7.478 -13.705 23.955 496 2HB LYS 76 2HB LYS 76 -9.216 -13.476 23.772 497 1HG LYS 76 1HG LYS 76 -8.687 -12.356 25.795 498 2HG LYS 76 2HG LYS 76 -9.356 -13.903 26.314 499 1HD LYS 76 1HD LYS 76 -6.666 -14.474 25.980 500 2HD LYS 76 2HD LYS 76 -6.641 -12.840 26.643 501 1HE LYS 76 1HE LYS 76 -8.497 -13.923 28.277 502 2HE LYS 76 2HE LYS 76 -7.554 -15.379 27.909 503 1HZ LYS 76 1HZ LYS 76 -6.349 -12.776 28.696 504 2HZ LYS 76 2HZ LYS 76 -6.662 -14.032 29.797 505 3HZ LYS 76 3HZ LYS 76 -5.553 -14.268 28.532 506 H GLU 77 H GLU 77 -10.418 -16.489 22.815 507 HA GLU 77 HA GLU 77 -12.325 -17.400 24.747 508 1HB GLU 77 1HB GLU 77 -12.199 -14.572 24.288 509 2HB GLU 77 2HB GLU 77 -13.739 -15.169 23.672 510 1HG GLU 77 1HG GLU 77 -13.080 -16.404 26.219 511 2HG GLU 77 2HG GLU 77 -13.104 -14.646 26.352 512 H GLY 78 H GLY 78 -14.467 -17.916 23.679 513 1HA GLY 78 1HA GLY 78 -14.610 -17.736 20.764 514 2HA GLY 78 2HA GLY 78 -15.783 -18.535 21.812 515 H GLU 79 H GLU 79 -15.219 -19.926 19.612 516 HA GLU 79 HA GLU 79 -13.113 -21.919 20.373 517 1HB GLU 79 1HB GLU 79 -15.377 -22.641 21.077 518 2HB GLU 79 2HB GLU 79 -15.954 -22.434 19.423 519 1HG GLU 79 1HG GLU 79 -15.395 -24.621 19.165 520 2HG GLU 79 2HG GLU 79 -13.738 -24.027 19.060 521 H ILE 80 H ILE 80 -11.804 -22.420 18.646 522 HA ILE 80 HA ILE 80 -12.656 -21.476 15.937 523 HB ILE 80 HB ILE 80 -9.998 -21.995 17.289 524 1HG1 ILE 80 1HG1 ILE 80 -11.355 -19.548 16.124 525 2HG1 ILE 80 2HG1 ILE 80 -10.999 -19.853 17.824 526 1HG2 ILE 80 1HG2 ILE 80 -10.543 -21.275 14.392 527 2HG2 ILE 80 2HG2 ILE 80 -8.952 -21.304 15.152 528 3HG2 ILE 80 3HG2 ILE 80 -9.868 -22.801 14.966 529 1HD1 ILE 80 1HD1 ILE 80 -8.554 -19.947 17.209 530 2HD1 ILE 80 2HD1 ILE 80 -9.000 -19.420 15.586 531 3HD1 ILE 80 3HD1 ILE 80 -9.294 -18.364 16.968 532 H ASP 81 H ASP 81 -11.926 -22.872 14.099 533 HA ASP 81 HA ASP 81 -12.178 -25.772 14.799 534 1HB ASP 81 1HB ASP 81 -13.722 -24.228 13.210 535 2HB ASP 81 2HB ASP 81 -12.520 -24.740 12.025 536 H MET 82 H MET 82 -10.363 -27.007 14.476 537 HA MET 82 HA MET 82 -8.227 -25.920 12.671 538 1HB MET 82 1HB MET 82 -6.727 -27.270 14.204 539 2HB MET 82 2HB MET 82 -7.567 -25.939 14.999 540 1HG MET 82 1HG MET 82 -9.052 -27.362 16.105 541 2HG MET 82 2HG MET 82 -8.843 -28.658 14.927 542 1HE MET 82 1HE MET 82 -9.043 -28.652 17.872 543 2HE MET 82 2HE MET 82 -7.682 -29.422 18.700 544 3HE MET 82 3HE MET 82 -7.780 -27.666 18.603 545 H ASP 83 H ASP 83 -6.781 -27.802 11.839 546 HA ASP 83 HA ASP 83 -8.564 -29.860 10.663 547 1HB ASP 83 1HB ASP 83 -5.788 -28.787 10.158 548 2HB ASP 83 2HB ASP 83 -6.349 -30.256 9.360 549 H MET 84 H MET 84 -7.614 -32.132 10.517 550 HA MET 84 HA MET 84 -6.914 -33.087 13.175 551 1HB MET 84 1HB MET 84 -7.839 -34.075 10.619 552 2HB MET 84 2HB MET 84 -6.528 -35.094 11.216 553 1HG MET 84 1HG MET 84 -7.812 -35.943 12.873 554 2HG MET 84 2HG MET 84 -8.418 -34.349 13.322 555 1HE MET 84 1HE MET 84 -10.278 -35.496 14.032 556 2HE MET 84 2HE MET 84 -11.752 -35.638 13.077 557 3HE MET 84 3HE MET 84 -10.657 -37.019 13.232 558 H GLN 85 H GLN 85 -4.848 -33.150 13.969 559 HA GLN 85 HA GLN 85 -2.604 -34.130 12.431 560 1HB GLN 85 1HB GLN 85 -1.427 -31.834 12.490 561 2HB GLN 85 2HB GLN 85 -2.707 -32.039 11.295 562 1HG GLN 85 1HG GLN 85 -4.315 -30.990 12.882 563 2HG GLN 85 2HG GLN 85 -2.988 -30.719 14.012 564 2HE2 GLN 85 2HE2 GLN 85 -2.815 -28.433 13.892 565 1HE2 GLN 85 1HE2 GLN 85 -2.483 -27.592 12.455 566 H GLN 86 H GLN 86 -0.537 -33.911 13.729 567 HA GLN 86 HA GLN 86 -1.148 -33.667 16.660 568 1HB GLN 86 1HB GLN 86 0.374 -35.603 14.962 569 2HB GLN 86 2HB GLN 86 0.965 -35.309 16.597 570 1HG GLN 86 1HG GLN 86 -0.540 -37.072 16.929 571 2HG GLN 86 2HG GLN 86 -1.541 -35.663 17.280 572 2HE2 GLN 86 2HE2 GLN 86 -3.581 -36.281 16.471 573 1HE2 GLN 86 1HE2 GLN 86 -3.855 -36.807 14.881 574 H ILE 87 H ILE 87 -0.101 -31.595 14.701 575 HA ILE 87 HA ILE 87 2.728 -31.236 15.361 576 HB ILE 87 HB ILE 87 1.681 -30.540 13.225 577 1HG1 ILE 87 1HG1 ILE 87 2.668 -28.312 13.108 578 2HG1 ILE 87 2HG1 ILE 87 2.616 -28.166 14.865 579 1HG2 ILE 87 1HG2 ILE 87 0.033 -28.867 15.111 580 2HG2 ILE 87 2HG2 ILE 87 0.281 -28.350 13.444 581 3HG2 ILE 87 3HG2 ILE 87 -0.509 -29.890 13.780 582 1HD1 ILE 87 1HD1 ILE 87 3.952 -30.618 14.036 583 2HD1 ILE 87 2HD1 ILE 87 4.733 -29.193 13.350 584 3HD1 ILE 87 3HD1 ILE 87 4.534 -29.335 15.097 585 H LEU 88 H LEU 88 -0.347 -30.215 16.685 586 HA LEU 88 HA LEU 88 1.063 -28.339 18.551 587 1HB LEU 88 1HB LEU 88 -1.330 -28.236 16.968 588 2HB LEU 88 2HB LEU 88 -1.782 -28.134 18.669 589 HG LEU 88 HG LEU 88 -0.060 -26.333 18.961 590 1HD1 LEU 88 1HD1 LEU 88 1.082 -27.223 16.726 591 2HD1 LEU 88 2HD1 LEU 88 0.026 -26.021 15.985 592 3HD1 LEU 88 3HD1 LEU 88 1.208 -25.528 17.198 593 1HD2 LEU 88 1HD2 LEU 88 -2.573 -26.199 17.526 594 2HD2 LEU 88 2HD2 LEU 88 -1.894 -25.053 18.683 595 3HD2 LEU 88 3HD2 LEU 88 -1.482 -24.928 16.973 596 H SER 89 H SER 89 0.659 -28.567 20.811 597 HA SER 89 HA SER 89 -0.313 -31.263 21.623 598 1HB SER 89 1HB SER 89 1.914 -30.526 22.333 599 2HB SER 89 2HB SER 89 1.227 -29.066 23.043 600 HG SER 89 HG SER 89 0.513 -30.176 24.691 601 H ASP 90 H ASP 90 -1.874 -31.458 23.352 602 HA ASP 90 HA ASP 90 -4.074 -29.644 23.273 603 1HB ASP 90 1HB ASP 90 -3.427 -32.159 24.308 604 2HB ASP 90 2HB ASP 90 -3.829 -31.196 25.730 605 H GLU 91 H GLU 91 -1.539 -30.091 25.743 606 HA GLU 91 HA GLU 91 -2.399 -28.136 27.599 607 1HB GLU 91 1HB GLU 91 -0.611 -29.847 27.907 608 2HB GLU 91 2HB GLU 91 0.423 -28.932 26.808 609 1HG GLU 91 1HG GLU 91 -0.727 -27.282 28.945 610 2HG GLU 91 2HG GLU 91 0.300 -28.579 29.552 611 H GLU 92 H GLU 92 -1.051 -27.750 24.437 612 HA GLU 92 HA GLU 92 0.031 -25.068 24.833 613 1HB GLU 92 1HB GLU 92 0.393 -27.033 23.029 614 2HB GLU 92 2HB GLU 92 -0.814 -26.085 22.159 615 1HG GLU 92 1HG GLU 92 1.210 -25.110 21.465 616 2HG GLU 92 2HG GLU 92 0.693 -24.046 22.775 617 H VAL 93 H VAL 93 -2.982 -26.420 23.473 618 HA VAL 93 HA VAL 93 -4.063 -23.782 22.818 619 HB VAL 93 HB VAL 93 -5.378 -26.510 23.017 620 1HG1 VAL 93 1HG1 VAL 93 -6.112 -23.934 21.600 621 2HG1 VAL 93 2HG1 VAL 93 -6.891 -25.482 21.271 622 3HG1 VAL 93 3HG1 VAL 93 -7.025 -24.749 22.870 623 1HG2 VAL 93 1HG2 VAL 93 -4.005 -25.140 20.683 624 2HG2 VAL 93 2HG2 VAL 93 -3.410 -26.562 21.540 625 3HG2 VAL 93 3HG2 VAL 93 -4.895 -26.660 20.590 626 H GLU 94 H GLU 94 -4.157 -25.948 25.574 627 HA GLU 94 HA GLU 94 -6.478 -24.604 26.798 628 1HB GLU 94 1HB GLU 94 -5.714 -27.095 26.904 629 2HB GLU 94 2HB GLU 94 -4.581 -26.530 28.131 630 1HG GLU 94 1HG GLU 94 -7.481 -25.762 28.324 631 2HG GLU 94 2HG GLU 94 -6.967 -27.363 28.859 632 H GLU 95 H GLU 95 -2.944 -24.711 27.243 633 HA GLU 95 HA GLU 95 -3.167 -22.703 29.437 634 1HB GLU 95 1HB GLU 95 -1.814 -24.902 29.502 635 2HB GLU 95 2HB GLU 95 -0.689 -24.095 28.411 636 1HG GLU 95 1HG GLU 95 0.184 -23.639 30.561 637 2HG GLU 95 2HG GLU 95 -0.701 -22.172 30.144 638 H LYS 96 H LYS 96 -2.255 -23.010 26.090 639 HA LYS 96 HA LYS 96 -1.040 -20.268 26.175 640 1HB LYS 96 1HB LYS 96 -0.210 -22.776 25.098 641 2HB LYS 96 2HB LYS 96 -0.523 -21.694 23.741 642 1HG LYS 96 1HG LYS 96 1.758 -21.326 24.363 643 2HG LYS 96 2HG LYS 96 0.856 -19.947 24.991 644 1HD LYS 96 1HD LYS 96 2.474 -20.933 26.647 645 2HD LYS 96 2HD LYS 96 0.802 -20.918 27.212 646 1HE LYS 96 1HE LYS 96 0.589 -23.225 27.054 647 2HE LYS 96 2HE LYS 96 1.766 -23.344 25.732 648 1HZ LYS 96 1HZ LYS 96 2.732 -22.257 28.261 649 2HZ LYS 96 2HZ LYS 96 2.377 -23.918 28.255 650 3HZ LYS 96 3HZ LYS 96 3.512 -23.288 27.159 651 H ASP 97 H ASP 97 -3.626 -22.208 24.907 652 HA ASP 97 HA ASP 97 -5.453 -21.622 23.516 653 1HB ASP 97 1HB ASP 97 -4.597 -18.749 23.649 654 2HB ASP 97 2HB ASP 97 -6.205 -19.447 23.847 655 H VAL 98 H VAL 98 -2.779 -22.170 22.348 656 HA VAL 98 HA VAL 98 -2.537 -20.258 20.116 657 HB VAL 98 HB VAL 98 -0.584 -21.221 21.316 658 1HG1 VAL 98 1HG1 VAL 98 -1.666 -23.809 20.168 659 2HG1 VAL 98 2HG1 VAL 98 -0.043 -23.636 20.836 660 3HG1 VAL 98 3HG1 VAL 98 -1.452 -23.411 21.874 661 1HG2 VAL 98 1HG2 VAL 98 -0.923 -20.916 18.572 662 2HG2 VAL 98 2HG2 VAL 98 0.621 -21.092 19.405 663 3HG2 VAL 98 3HG2 VAL 98 -0.179 -22.507 18.722 664 H ARG 99 H ARG 99 -3.143 -20.670 18.017 665 HA ARG 99 HA ARG 99 -4.177 -23.383 17.314 666 1HB ARG 99 1HB ARG 99 -5.593 -20.750 16.779 667 2HB ARG 99 2HB ARG 99 -6.210 -22.365 16.435 668 1HG ARG 99 1HG ARG 99 -5.731 -22.689 19.046 669 2HG ARG 99 2HG ARG 99 -5.966 -20.942 19.049 670 1HD ARG 99 1HD ARG 99 -8.197 -21.419 19.148 671 2HD ARG 99 2HD ARG 99 -8.047 -21.868 17.439 672 HE ARG 99 HE ARG 99 -7.237 -24.165 18.552 673 1HH1 ARG 99 1HH1 ARG 99 -8.356 -23.150 21.204 674 2HH1 ARG 99 2HH1 ARG 99 -9.924 -23.885 21.207 675 1HH2 ARG 99 1HH2 ARG 99 -9.870 -24.639 17.823 676 2HH2 ARG 99 2HH2 ARG 99 -10.782 -24.726 19.293 677 H LEU 100 H LEU 100 -4.731 -23.242 14.779 678 HA LEU 100 HA LEU 100 -2.334 -22.001 13.497 679 1HB LEU 100 1HB LEU 100 -4.254 -24.075 12.406 680 2HB LEU 100 2HB LEU 100 -2.613 -23.734 11.855 681 HG LEU 100 HG LEU 100 -2.374 -24.271 14.607 682 1HD1 LEU 100 1HD1 LEU 100 -4.767 -25.260 14.151 683 2HD1 LEU 100 2HD1 LEU 100 -3.873 -26.565 13.370 684 3HD1 LEU 100 3HD1 LEU 100 -3.599 -26.205 15.076 685 1HD2 LEU 100 1HD2 LEU 100 -1.801 -25.840 12.089 686 2HD2 LEU 100 2HD2 LEU 100 -0.671 -24.915 13.078 687 3HD2 LEU 100 3HD2 LEU 100 -1.334 -26.433 13.683 688 H THR 101 H THR 101 -2.850 -19.984 12.702 689 HA THR 101 HA THR 101 -5.554 -19.294 11.822 690 HB THR 101 HB THR 101 -4.151 -17.184 11.117 691 HG1 THR 101 HG1 THR 101 -2.105 -17.519 11.330 692 1HG2 THR 101 1HG2 THR 101 -5.496 -17.874 13.364 693 2HG2 THR 101 2HG2 THR 101 -3.880 -17.644 14.033 694 3HG2 THR 101 3HG2 THR 101 -4.673 -16.327 13.168 695 H CYS 102 H CYS 102 -2.522 -20.249 10.281 696 HA CYS 102 HA CYS 102 -3.200 -19.437 7.600 697 1HB CYS 102 1HB CYS 102 -1.311 -20.914 7.030 698 2HB CYS 102 2HB CYS 102 -0.926 -19.953 8.459 699 H ILE 103 H ILE 103 -3.817 -22.373 9.487 700 HA ILE 103 HA ILE 103 -5.536 -23.356 7.234 701 HB ILE 103 HB ILE 103 -4.735 -25.623 7.820 702 1HG1 ILE 103 1HG1 ILE 103 -2.465 -25.100 9.386 703 2HG1 ILE 103 2HG1 ILE 103 -3.765 -24.184 10.151 704 1HG2 ILE 103 1HG2 ILE 103 -3.084 -23.454 6.800 705 2HG2 ILE 103 2HG2 ILE 103 -2.099 -24.717 7.538 706 3HG2 ILE 103 3HG2 ILE 103 -3.214 -25.118 6.230 707 1HD1 ILE 103 1HD1 ILE 103 -5.163 -26.350 9.895 708 2HD1 ILE 103 2HD1 ILE 103 -3.616 -27.151 9.621 709 3HD1 ILE 103 3HD1 ILE 103 -3.921 -26.322 11.147 710 H GLY 104 H GLY 104 -6.092 -21.856 9.833 711 1HA GLY 104 1HA GLY 104 -7.113 -22.782 12.007 712 2HA GLY 104 2HA GLY 104 -8.038 -23.838 10.940 713 H SER 105 H SER 105 -10.106 -23.032 11.241 714 HA SER 105 HA SER 105 -10.513 -20.114 10.662 715 1HB SER 105 1HB SER 105 -12.247 -22.485 9.893 716 2HB SER 105 2HB SER 105 -12.520 -20.805 9.431 717 HG SER 105 HG SER 105 -11.419 -21.512 7.747 718 HA PRO 106 HA PRO 106 -12.838 -19.992 14.386 719 1HB PRO 106 1HB PRO 106 -14.677 -18.059 13.779 720 2HB PRO 106 2HB PRO 106 -12.968 -17.702 14.091 721 1HG PRO 106 1HG PRO 106 -14.423 -17.923 11.501 722 2HG PRO 106 2HG PRO 106 -13.146 -16.799 11.983 723 1HD PRO 106 1HD PRO 106 -12.730 -19.007 10.416 724 2HD PRO 106 2HD PRO 106 -11.480 -18.270 11.440 725 H ALA 107 H ALA 107 -14.731 -20.922 15.265 726 HA ALA 107 HA ALA 107 -16.753 -21.928 13.285 727 1HB ALA 107 1HB ALA 107 -16.084 -23.294 15.881 728 2HB ALA 107 2HB ALA 107 -16.695 -23.998 14.383 729 3HB ALA 107 3HB ALA 107 -15.010 -23.488 14.495 730 H ALA 108 H ALA 108 -16.143 -20.416 16.383 731 HA ALA 108 HA ALA 108 -18.990 -20.539 17.189 732 1HB ALA 108 1HB ALA 108 -16.584 -20.553 18.508 733 2HB ALA 108 2HB ALA 108 -17.058 -18.862 18.670 734 3HB ALA 108 3HB ALA 108 -18.122 -20.136 19.265 735 H ASP 109 H ASP 109 -19.444 -18.106 18.313 736 HA ASP 109 HA ASP 109 -19.726 -16.355 15.956 737 1HB ASP 109 1HB ASP 109 -20.837 -16.626 18.710 738 2HB ASP 109 2HB ASP 109 -20.878 -15.017 17.988 739 H GLU 110 H GLU 110 -19.296 -14.948 19.127 740 HA GLU 110 HA GLU 110 -17.168 -13.206 18.108 741 1HB GLU 110 1HB GLU 110 -17.459 -12.124 20.289 742 2HB GLU 110 2HB GLU 110 -19.039 -12.472 19.588 743 1HG GLU 110 1HG GLU 110 -18.819 -14.730 20.918 744 2HG GLU 110 2HG GLU 110 -17.641 -13.832 21.874 745 H VAL 111 H VAL 111 -15.261 -14.416 17.854 746 HA VAL 111 HA VAL 111 -14.287 -15.937 20.244 747 HB VAL 111 HB VAL 111 -13.398 -16.031 17.345 748 1HG1 VAL 111 1HG1 VAL 111 -11.875 -16.865 19.249 749 2HG1 VAL 111 2HG1 VAL 111 -13.074 -18.137 19.484 750 3HG1 VAL 111 3HG1 VAL 111 -12.222 -18.003 17.946 751 1HG2 VAL 111 1HG2 VAL 111 -15.360 -17.790 18.850 752 2HG2 VAL 111 2HG2 VAL 111 -15.765 -16.668 17.551 753 3HG2 VAL 111 3HG2 VAL 111 -14.775 -18.087 17.213 754 H LYS 112 H LYS 112 -12.652 -14.967 21.381 755 HA LYS 112 HA LYS 112 -11.217 -12.666 20.165 756 1HB LYS 112 1HB LYS 112 -11.117 -13.785 22.981 757 2HB LYS 112 2HB LYS 112 -10.640 -12.170 22.460 758 1HG LYS 112 1HG LYS 112 -13.196 -12.231 21.544 759 2HG LYS 112 2HG LYS 112 -13.347 -13.275 22.958 760 1HD LYS 112 1HD LYS 112 -12.820 -11.575 24.439 761 2HD LYS 112 2HD LYS 112 -11.831 -10.713 23.260 762 1HE LYS 112 1HE LYS 112 -13.638 -9.325 23.063 763 2HE LYS 112 2HE LYS 112 -14.359 -10.638 22.111 764 1HZ LYS 112 1HZ LYS 112 -15.146 -11.625 24.202 765 2HZ LYS 112 2HZ LYS 112 -14.524 -10.301 25.065 766 3HZ LYS 112 3HZ LYS 112 -15.798 -10.075 23.964 767 H ILE 113 H ILE 113 -8.983 -12.695 19.821 768 HA ILE 113 HA ILE 113 -7.315 -14.909 20.787 769 HB ILE 113 HB ILE 113 -8.569 -15.811 18.820 770 1HG1 ILE 113 1HG1 ILE 113 -5.632 -15.355 18.218 771 2HG1 ILE 113 2HG1 ILE 113 -6.229 -16.545 19.376 772 1HG2 ILE 113 1HG2 ILE 113 -8.667 -13.499 17.714 773 2HG2 ILE 113 2HG2 ILE 113 -7.012 -13.800 17.183 774 3HG2 ILE 113 3HG2 ILE 113 -8.316 -14.861 16.649 775 1HD1 ILE 113 1HD1 ILE 113 -7.540 -16.654 16.735 776 2HD1 ILE 113 2HD1 ILE 113 -5.821 -17.047 16.708 777 3HD1 ILE 113 3HD1 ILE 113 -6.920 -17.966 17.737 778 H VAL 114 H VAL 114 -5.030 -14.550 20.223 779 HA VAL 114 HA VAL 114 -4.470 -11.690 19.514 780 HB VAL 114 HB VAL 114 -3.760 -13.449 21.724 781 1HG1 VAL 114 1HG1 VAL 114 -1.669 -13.715 20.322 782 2HG1 VAL 114 2HG1 VAL 114 -1.429 -11.973 20.467 783 3HG1 VAL 114 3HG1 VAL 114 -1.402 -12.992 21.907 784 1HG2 VAL 114 1HG2 VAL 114 -4.535 -10.878 21.409 785 2HG2 VAL 114 2HG2 VAL 114 -3.717 -11.462 22.858 786 3HG2 VAL 114 3HG2 VAL 114 -2.796 -10.643 21.595 787 H TYR 115 H TYR 115 -2.985 -11.348 17.847 788 HA TYR 115 HA TYR 115 -1.870 -13.809 16.569 789 1HB TYR 115 1HB TYR 115 -2.355 -12.813 14.566 790 2HB TYR 115 2HB TYR 115 -3.486 -11.892 15.546 791 HD1 TYR 115 HD1 TYR 115 -1.912 -9.934 16.936 792 HD2 TYR 115 HD2 TYR 115 -1.409 -11.440 12.948 793 HE1 TYR 115 HE1 TYR 115 -0.763 -7.838 16.292 794 HE2 TYR 115 HE2 TYR 115 -0.255 -9.343 12.304 795 HH TYR 115 HH TYR 115 1.026 -7.517 13.460 796 H ASN 116 H ASN 116 0.304 -13.822 15.909 797 HA ASN 116 HA ASN 116 2.552 -12.886 15.678 798 1HB ASN 116 1HB ASN 116 1.720 -11.163 18.038 799 2HB ASN 116 2HB ASN 116 3.258 -11.088 17.199 800 2HD2 ASN 116 2HD2 ASN 116 2.617 -8.767 16.724 801 1HD2 ASN 116 1HD2 ASN 116 1.601 -8.467 15.400 802 H ALA 117 H ALA 117 1.163 -15.036 17.398 803 HA ALA 117 HA ALA 117 2.284 -15.445 19.902 804 1HB ALA 117 1HB ALA 117 0.724 -16.924 18.590 805 2HB ALA 117 2HB ALA 117 2.119 -17.495 17.674 806 3HB ALA 117 3HB ALA 117 2.013 -17.809 19.406 807 H LYS 118 H LYS 118 3.963 -15.420 16.830 808 HA LYS 118 HA LYS 118 6.254 -16.910 17.206 809 1HB LYS 118 1HB LYS 118 7.372 -14.958 15.969 810 2HB LYS 118 2HB LYS 118 5.920 -15.622 15.221 811 1HG LYS 118 1HG LYS 118 4.696 -13.737 15.620 812 2HG LYS 118 2HG LYS 118 5.456 -13.458 17.188 813 1HD LYS 118 1HD LYS 118 7.519 -12.689 16.006 814 2HD LYS 118 2HD LYS 118 6.673 -12.873 14.470 815 1HE LYS 118 1HE LYS 118 4.863 -11.323 15.607 816 2HE LYS 118 2HE LYS 118 6.217 -10.855 16.652 817 H HIS 119 H HIS 119 5.322 -14.029 18.989 818 HA HIS 119 HA HIS 119 7.828 -13.259 20.085 819 1HB HIS 119 1HB HIS 119 6.417 -12.197 21.790 820 2HB HIS 119 2HB HIS 119 5.647 -12.038 20.210 821 HD1 HIS 119 HD1 HIS 119 5.558 -14.424 23.190 822 HD2 HIS 119 HD2 HIS 119 3.050 -12.976 20.190 823 HE1 HIS 119 HE1 HIS 119 3.268 -15.413 23.631 824 H LEU 120 H LEU 120 5.605 -15.868 20.953 825 HA LEU 120 HA LEU 120 6.477 -16.580 23.517 826 1HB LEU 120 1HB LEU 120 4.923 -17.635 21.446 827 2HB LEU 120 2HB LEU 120 6.153 -18.866 21.731 828 HG LEU 120 HG LEU 120 4.296 -17.652 23.797 829 1HD1 LEU 120 1HD1 LEU 120 4.499 -20.304 22.388 830 2HD1 LEU 120 2HD1 LEU 120 3.792 -20.214 24.003 831 3HD1 LEU 120 3HD1 LEU 120 3.073 -19.306 22.672 832 1HD2 LEU 120 1HD2 LEU 120 6.688 -19.482 24.040 833 2HD2 LEU 120 2HD2 LEU 120 6.363 -17.991 24.922 834 3HD2 LEU 120 3HD2 LEU 120 5.421 -19.442 25.266 835 H ASP 121 H ASP 121 8.489 -17.112 24.276 836 HA ASP 121 HA ASP 121 10.799 -17.396 22.614 837 1HB ASP 121 1HB ASP 121 11.886 -17.948 24.716 838 2HB ASP 121 2HB ASP 121 10.661 -16.722 25.042 839 H TYR 122 H TYR 122 8.640 -19.798 24.110 840 HA TYR 122 HA TYR 122 10.147 -22.145 23.527 841 1HB TYR 122 1HB TYR 122 8.250 -22.154 25.022 842 2HB TYR 122 2HB TYR 122 7.180 -21.562 23.752 843 HD1 TYR 122 HD1 TYR 122 9.423 -24.425 24.626 844 HD2 TYR 122 HD2 TYR 122 6.026 -23.078 22.369 845 HE1 TYR 122 HE1 TYR 122 8.955 -26.761 23.938 846 HE2 TYR 122 HE2 TYR 122 5.557 -25.415 21.681 847 HH TYR 122 HH TYR 122 7.656 -27.815 21.777 848 H LEU 123 H LEU 123 8.233 -20.055 21.488 849 HA LEU 123 HA LEU 123 7.923 -21.982 19.306 850 1HB LEU 123 1HB LEU 123 6.770 -19.599 20.133 851 2HB LEU 123 2HB LEU 123 7.692 -19.117 18.710 852 HG LEU 123 HG LEU 123 6.439 -21.578 18.067 853 1HD1 LEU 123 1HD1 LEU 123 4.972 -20.314 20.090 854 2HD1 LEU 123 2HD1 LEU 123 4.150 -19.858 18.597 855 3HD1 LEU 123 3HD1 LEU 123 4.379 -21.562 18.991 856 1HD2 LEU 123 1HD2 LEU 123 6.940 -19.174 16.882 857 2HD2 LEU 123 2HD2 LEU 123 5.869 -20.397 16.197 858 3HD2 LEU 123 3HD2 LEU 123 5.198 -19.058 17.129 859 H GLN 124 H GLN 124 9.867 -19.006 19.798 860 HA GLN 124 HA GLN 124 11.310 -19.004 17.386 861 1HB GLN 124 1HB GLN 124 11.754 -18.105 20.203 862 2HB GLN 124 2HB GLN 124 13.131 -18.050 19.101 863 1HG GLN 124 1HG GLN 124 12.128 -16.474 17.714 864 2HG GLN 124 2HG GLN 124 10.495 -16.946 18.185 865 2HE2 GLN 124 2HE2 GLN 124 13.450 -15.389 19.542 866 1HE2 GLN 124 1HE2 GLN 124 12.606 -14.384 20.618 867 H ASN 125 H ASN 125 11.808 -20.959 20.287 868 HA ASN 125 HA ASN 125 14.365 -21.996 19.944 869 1HB ASN 125 1HB ASN 125 12.223 -22.494 21.526 870 2HB ASN 125 2HB ASN 125 12.180 -23.935 20.511 871 2HD2 ASN 125 2HD2 ASN 125 15.092 -24.068 20.092 872 1HD2 ASN 125 1HD2 ASN 125 15.778 -24.536 21.572 873 H ARG 126 H ARG 126 11.457 -22.743 18.074 874 HA ARG 126 HA ARG 126 12.260 -25.084 16.723 875 1HB ARG 126 1HB ARG 126 10.532 -22.704 16.141 876 2HB ARG 126 2HB ARG 126 10.832 -23.859 14.842 877 1HG ARG 126 1HG ARG 126 10.199 -25.192 17.359 878 2HG ARG 126 2HG ARG 126 8.908 -24.105 16.851 879 1HD ARG 126 1HD ARG 126 8.295 -25.519 15.184 880 2HD ARG 126 2HD ARG 126 9.965 -25.633 14.595 881 HE ARG 126 HE ARG 126 9.966 -27.093 16.968 882 1HH1 ARG 126 1HH1 ARG 126 7.139 -27.220 15.327 883 2HH1 ARG 126 2HH1 ARG 126 7.269 -28.863 14.795 884 1HH2 ARG 126 1HH2 ARG 126 10.592 -29.183 15.731 885 2HH2 ARG 126 2HH2 ARG 126 9.224 -29.974 15.022 886 H VAL 127 H VAL 127 13.227 -21.724 16.192 887 HA VAL 127 HA VAL 127 14.492 -22.123 13.629 888 HB VAL 127 HB VAL 127 15.041 -20.089 15.813 889 1HG1 VAL 127 1HG1 VAL 127 16.680 -20.129 13.947 890 2HG1 VAL 127 2HG1 VAL 127 15.355 -19.943 12.798 891 3HG1 VAL 127 3HG1 VAL 127 15.719 -18.650 13.941 892 1HG2 VAL 127 1HG2 VAL 127 12.591 -20.561 14.834 893 2HG2 VAL 127 2HG2 VAL 127 13.155 -18.927 15.180 894 3HG2 VAL 127 3HG2 VAL 127 13.201 -19.544 13.529 895 H ILE 128 H ILE 128 15.607 -22.402 16.985 896 HA ILE 128 HA ILE 128 18.364 -22.447 16.784 897 HB ILE 128 HB ILE 128 16.445 -24.285 18.243 898 1HG1 ILE 128 1HG1 ILE 128 16.428 -21.788 18.686 899 2HG1 ILE 128 2HG1 ILE 128 16.787 -22.785 20.095 900 1HG2 ILE 128 1HG2 ILE 128 19.260 -24.585 17.920 901 2HG2 ILE 128 2HG2 ILE 128 18.977 -24.014 19.565 902 3HG2 ILE 128 3HG2 ILE 128 18.192 -25.487 18.995 903 1HD1 ILE 128 1HD1 ILE 128 19.118 -21.946 18.453 904 2HD1 ILE 128 2HD1 ILE 128 18.312 -20.672 19.369 905 3HD1 ILE 128 3HD1 ILE 128 18.966 -22.081 20.206 No H/Q in entry = 905 Start of MODEL 19 1 H2 PRO 1 H2 PRO 1 -19.754 -14.316 13.820 2 H3 PRO 1 H3 PRO 1 -20.009 -15.997 13.890 3 HA PRO 1 HA PRO 1 -18.084 -16.282 12.839 4 1HB PRO 1 1HB PRO 1 -18.393 -15.191 10.349 5 2HB PRO 1 2HB PRO 1 -19.210 -16.681 10.859 6 1HG PRO 1 1HG PRO 1 -20.260 -13.896 10.703 7 2HG PRO 1 2HG PRO 1 -21.049 -15.422 10.280 8 1HD PRO 1 1HD PRO 1 -21.522 -14.080 12.602 9 2HD PRO 1 2HD PRO 1 -21.674 -15.842 12.446 10 H THR 2 H THR 2 -17.714 -14.200 14.546 11 HA THR 2 HA THR 2 -16.105 -12.243 12.939 12 HB THR 2 HB THR 2 -17.912 -11.815 15.338 13 HG1 THR 2 HG1 THR 2 -19.100 -10.658 13.919 14 1HG2 THR 2 1HG2 THR 2 -15.683 -10.540 15.355 15 2HG2 THR 2 2HG2 THR 2 -16.287 -9.696 13.929 16 3HG2 THR 2 3HG2 THR 2 -17.151 -9.571 15.461 17 H VAL 3 H VAL 3 -13.986 -12.229 13.570 18 HA VAL 3 HA VAL 3 -13.313 -13.300 16.295 19 HB VAL 3 HB VAL 3 -11.913 -13.497 13.610 20 1HG1 VAL 3 1HG1 VAL 3 -10.895 -13.735 16.359 21 2HG1 VAL 3 2HG1 VAL 3 -10.560 -15.146 15.355 22 3HG1 VAL 3 3HG1 VAL 3 -10.010 -13.550 14.845 23 1HG2 VAL 3 1HG2 VAL 3 -13.878 -15.082 14.844 24 2HG2 VAL 3 2HG2 VAL 3 -12.879 -15.529 13.462 25 3HG2 VAL 3 3HG2 VAL 3 -12.364 -15.951 15.095 26 H GLU 4 H GLU 4 -12.605 -11.612 17.563 27 HA GLU 4 HA GLU 4 -11.522 -9.162 16.350 28 1HB GLU 4 1HB GLU 4 -12.910 -9.913 18.666 29 2HB GLU 4 2HB GLU 4 -11.316 -9.427 19.242 30 1HG GLU 4 1HG GLU 4 -11.510 -7.267 18.207 31 2HG GLU 4 2HG GLU 4 -12.952 -7.756 17.316 32 H TYR 5 H TYR 5 -9.373 -9.056 15.807 33 HA TYR 5 HA TYR 5 -7.443 -10.878 17.135 34 1HB TYR 5 1HB TYR 5 -5.958 -10.069 15.316 35 2HB TYR 5 2HB TYR 5 -7.496 -10.657 14.685 36 HD1 TYR 5 HD1 TYR 5 -5.704 -7.546 15.724 37 HD2 TYR 5 HD2 TYR 5 -8.899 -9.249 13.412 38 HE1 TYR 5 HE1 TYR 5 -6.112 -5.342 14.663 39 HE2 TYR 5 HE2 TYR 5 -9.304 -7.046 12.350 40 HH TYR 5 HH TYR 5 -7.229 -4.646 12.248 41 H LEU 6 H LEU 6 -5.766 -10.154 18.451 42 HA LEU 6 HA LEU 6 -5.599 -7.208 18.994 43 1HB LEU 6 1HB LEU 6 -6.850 -8.168 20.784 44 2HB LEU 6 2HB LEU 6 -5.815 -9.590 20.847 45 HG LEU 6 HG LEU 6 -4.099 -8.454 21.958 46 1HD1 LEU 6 1HD1 LEU 6 -5.252 -6.037 20.620 47 2HD1 LEU 6 2HD1 LEU 6 -4.343 -5.814 22.114 48 3HD1 LEU 6 3HD1 LEU 6 -3.574 -6.565 20.718 49 1HD2 LEU 6 1HD2 LEU 6 -6.774 -8.039 22.883 50 2HD2 LEU 6 2HD2 LEU 6 -5.303 -8.224 23.837 51 3HD2 LEU 6 3HD2 LEU 6 -5.811 -6.623 23.303 52 H ASN 7 H ASN 7 -3.552 -6.547 18.500 53 HA ASN 7 HA ASN 7 -1.362 -8.132 17.778 54 1HB ASN 7 1HB ASN 7 -1.537 -5.747 17.363 55 2HB ASN 7 2HB ASN 7 -1.484 -5.405 19.092 56 2HD2 ASN 7 2HD2 ASN 7 0.497 -4.084 17.991 57 1HD2 ASN 7 1HD2 ASN 7 1.989 -4.892 18.051 58 H TYR 8 H TYR 8 -0.114 -9.520 18.925 59 HA TYR 8 HA TYR 8 -0.288 -9.925 21.744 60 1HB TYR 8 1HB TYR 8 0.522 -11.654 20.298 61 2HB TYR 8 2HB TYR 8 1.750 -10.594 19.607 62 HD1 TYR 8 HD1 TYR 8 0.756 -12.512 22.613 63 HD2 TYR 8 HD2 TYR 8 3.836 -10.172 20.744 64 HE1 TYR 8 HE1 TYR 8 2.367 -13.246 24.350 65 HE2 TYR 8 HE2 TYR 8 5.447 -10.906 22.482 66 HH TYR 8 HH TYR 8 5.226 -13.406 24.254 67 H GLU 9 H GLU 9 1.858 -7.918 19.762 68 HA GLU 9 HA GLU 9 3.782 -7.214 21.740 69 1HB GLU 9 1HB GLU 9 2.870 -6.375 19.102 70 2HB GLU 9 2HB GLU 9 3.373 -4.992 20.074 71 1HG GLU 9 1HG GLU 9 5.379 -6.730 20.646 72 2HG GLU 9 2HG GLU 9 4.984 -7.245 19.007 73 H THR 10 H THR 10 0.577 -5.876 20.991 74 HA THR 10 HA THR 10 0.643 -3.547 22.605 75 HB THR 10 HB THR 10 -1.607 -5.499 22.004 76 HG1 THR 10 HG1 THR 10 -1.981 -3.753 20.396 77 1HG2 THR 10 1HG2 THR 10 -1.884 -3.701 23.876 78 2HG2 THR 10 2HG2 THR 10 -1.930 -2.556 22.535 79 3HG2 THR 10 3HG2 THR 10 -3.134 -3.840 22.641 80 H LEU 11 H LEU 11 0.280 -6.939 23.453 81 HA LEU 11 HA LEU 11 -0.675 -6.532 26.158 82 1HB LEU 11 1HB LEU 11 -0.496 -8.608 24.439 83 2HB LEU 11 2HB LEU 11 0.950 -8.913 25.401 84 HG LEU 11 HG LEU 11 -1.903 -8.672 26.392 85 1HD1 LEU 11 1HD1 LEU 11 -0.223 -10.850 25.619 86 2HD1 LEU 11 2HD1 LEU 11 -0.437 -10.930 27.368 87 3HD1 LEU 11 3HD1 LEU 11 -1.846 -10.921 26.306 88 1HD2 LEU 11 1HD2 LEU 11 0.731 -8.502 27.832 89 2HD2 LEU 11 2HD2 LEU 11 -0.742 -7.567 28.094 90 3HD2 LEU 11 3HD2 LEU 11 -0.654 -9.244 28.634 91 H ASP 12 H ASP 12 2.536 -7.378 24.814 92 HA ASP 12 HA ASP 12 3.875 -6.977 27.388 93 1HB ASP 12 1HB ASP 12 4.331 -8.318 24.982 94 2HB ASP 12 2HB ASP 12 5.525 -7.021 24.972 95 H ASP 13 H ASP 13 2.993 -5.011 24.680 96 HA ASP 13 HA ASP 13 5.073 -2.994 24.968 97 1HB ASP 13 1HB ASP 13 3.991 -3.219 22.860 98 2HB ASP 13 2HB ASP 13 2.389 -3.210 23.595 99 H GLN 14 H GLN 14 1.605 -3.116 25.873 100 HA GLN 14 HA GLN 14 1.803 -0.619 27.399 101 1HB GLN 14 1HB GLN 14 -0.401 -2.700 27.359 102 2HB GLN 14 2HB GLN 14 -0.557 -0.980 27.716 103 1HG GLN 14 1HG GLN 14 0.704 -1.310 25.146 104 2HG GLN 14 2HG GLN 14 -0.790 -2.244 25.187 105 2HE2 GLN 14 2HE2 GLN 14 -1.644 -0.559 23.632 106 1HE2 GLN 14 1HE2 GLN 14 -2.212 0.915 24.251 107 H GLY 15 H GLY 15 2.400 -3.948 28.003 108 1HA GLY 15 1HA GLY 15 3.114 -3.429 30.762 109 2HA GLY 15 2HA GLY 15 3.135 -5.005 29.974 110 H TRP 16 H TRP 16 0.497 -5.323 29.220 111 HA TRP 16 HA TRP 16 -1.047 -5.020 31.769 112 1HB TRP 16 1HB TRP 16 -1.661 -4.979 28.850 113 2HB TRP 16 2HB TRP 16 -2.899 -5.641 29.918 114 HD1 TRP 16 HD1 TRP 16 -2.210 -3.714 32.415 115 HE1 TRP 16 HE1 TRP 16 -2.981 -1.256 32.314 116 HE3 TRP 16 HE3 TRP 16 -2.823 -3.190 27.373 117 HZ2 TRP 16 HZ2 TRP 16 -3.755 0.676 30.354 118 HZ3 TRP 16 HZ3 TRP 16 -3.578 -1.031 26.417 119 HH2 TRP 16 HH2 TRP 16 -4.045 0.901 27.900 120 H ASP 17 H ASP 17 -2.496 -6.878 32.296 121 HA ASP 17 HA ASP 17 -1.110 -9.377 32.350 122 1HB ASP 17 1HB ASP 17 -3.269 -8.176 33.577 123 2HB ASP 17 2HB ASP 17 -4.042 -9.440 32.621 124 H MET 18 H MET 18 -2.596 -11.419 31.605 125 HA MET 18 HA MET 18 -2.525 -11.392 28.692 126 1HB MET 18 1HB MET 18 -2.021 -13.253 30.468 127 2HB MET 18 2HB MET 18 -3.763 -13.524 30.422 128 1HG MET 18 1HG MET 18 -3.689 -14.439 28.337 129 2HG MET 18 2HG MET 18 -2.484 -13.283 27.771 130 1HE MET 18 1HE MET 18 -3.067 -16.274 30.205 131 2HE MET 18 2HE MET 18 -3.245 -16.773 28.525 132 3HE MET 18 3HE MET 18 -1.933 -17.431 29.513 133 H ASP 19 H ASP 19 -5.166 -12.001 31.052 134 HA ASP 19 HA ASP 19 -7.081 -10.894 29.026 135 1HB ASP 19 1HB ASP 19 -6.962 -13.433 29.229 136 2HB ASP 19 2HB ASP 19 -7.579 -13.246 30.871 137 H ASP 20 H ASP 20 -5.771 -10.471 32.029 138 HA ASP 20 HA ASP 20 -8.186 -9.881 33.569 139 1HB ASP 20 1HB ASP 20 -5.636 -10.521 34.170 140 2HB ASP 20 2HB ASP 20 -5.515 -8.765 34.279 141 H ASP 21 H ASP 21 -5.654 -7.939 31.950 142 HA ASP 21 HA ASP 21 -6.913 -5.396 32.594 143 1HB ASP 21 1HB ASP 21 -4.640 -6.427 30.937 144 2HB ASP 21 2HB ASP 21 -5.204 -4.782 30.647 145 H ASP 22 H ASP 22 -7.803 -7.826 30.484 146 HA ASP 22 HA ASP 22 -9.216 -7.885 28.590 147 1HB ASP 22 1HB ASP 22 -10.189 -6.189 30.554 148 2HB ASP 22 2HB ASP 22 -10.261 -5.188 29.104 149 H LEU 23 H LEU 23 -6.678 -7.131 27.873 150 HA LEU 23 HA LEU 23 -6.069 -4.716 26.693 151 1HB LEU 23 1HB LEU 23 -5.762 -7.493 25.501 152 2HB LEU 23 2HB LEU 23 -4.808 -6.080 25.046 153 HG LEU 23 HG LEU 23 -4.686 -6.232 27.866 154 1HD1 LEU 23 1HD1 LEU 23 -5.442 -8.691 27.208 155 2HD1 LEU 23 2HD1 LEU 23 -3.738 -8.860 26.786 156 3HD1 LEU 23 3HD1 LEU 23 -4.200 -8.428 28.432 157 1HD2 LEU 23 1HD2 LEU 23 -2.712 -6.975 25.688 158 2HD2 LEU 23 2HD2 LEU 23 -2.905 -5.392 26.440 159 3HD2 LEU 23 3HD2 LEU 23 -2.280 -6.746 27.382 160 H PHE 24 H PHE 24 -7.949 -7.297 25.049 161 HA PHE 24 HA PHE 24 -8.594 -6.081 22.647 162 1HB PHE 24 1HB PHE 24 -9.996 -7.881 24.584 163 2HB PHE 24 2HB PHE 24 -10.936 -7.246 23.233 164 HD1 PHE 24 HD1 PHE 24 -10.019 -7.548 20.867 165 HD2 PHE 24 HD2 PHE 24 -8.464 -9.653 24.274 166 HE1 PHE 24 HE1 PHE 24 -8.979 -9.218 19.360 167 HE2 PHE 24 HE2 PHE 24 -7.424 -11.325 22.766 168 HZ PHE 24 HZ PHE 24 -7.684 -11.109 20.309 169 H GLU 25 H GLU 25 -9.714 -5.259 25.854 170 HA GLU 25 HA GLU 25 -11.660 -3.273 24.765 171 1HB GLU 25 1HB GLU 25 -11.925 -5.052 26.732 172 2HB GLU 25 2HB GLU 25 -11.176 -3.766 27.680 173 1HG GLU 25 1HG GLU 25 -12.960 -2.308 27.359 174 2HG GLU 25 2HG GLU 25 -13.450 -3.078 25.850 175 H LYS 26 H LYS 26 -8.819 -3.478 26.922 176 HA LYS 26 HA LYS 26 -8.658 -0.613 27.369 177 1HB LYS 26 1HB LYS 26 -7.419 -3.058 28.220 178 2HB LYS 26 2HB LYS 26 -6.152 -1.934 27.732 179 1HG LYS 26 1HG LYS 26 -6.550 -1.445 30.024 180 2HG LYS 26 2HG LYS 26 -7.401 -0.180 29.139 181 1HD LYS 26 1HD LYS 26 -9.516 -1.340 29.401 182 2HD LYS 26 2HD LYS 26 -8.708 -2.736 30.115 183 1HE LYS 26 1HE LYS 26 -8.804 -1.774 32.165 184 2HE LYS 26 2HE LYS 26 -7.976 -0.328 31.556 185 1HZ LYS 26 1HZ LYS 26 -10.850 -0.929 31.076 186 2HZ LYS 26 2HZ LYS 26 -10.301 0.080 32.327 187 3HZ LYS 26 3HZ LYS 26 -10.030 0.513 30.707 188 H ALA 27 H ALA 27 -7.680 -2.730 24.811 189 HA ALA 27 HA ALA 27 -5.500 -1.082 23.789 190 1HB ALA 27 1HB ALA 27 -7.191 -3.197 22.419 191 2HB ALA 27 2HB ALA 27 -5.563 -2.691 21.969 192 3HB ALA 27 3HB ALA 27 -5.828 -3.565 23.477 193 H ALA 28 H ALA 28 -8.986 -1.309 23.274 194 HA ALA 28 HA ALA 28 -9.065 0.286 20.860 195 1HB ALA 28 1HB ALA 28 -10.767 -1.350 22.154 196 2HB ALA 28 2HB ALA 28 -11.351 0.196 22.772 197 3HB ALA 28 3HB ALA 28 -11.333 -0.109 21.035 198 H ASP 29 H ASP 29 -9.234 0.999 24.313 199 HA ASP 29 HA ASP 29 -9.985 3.790 23.995 200 1HB ASP 29 1HB ASP 29 -9.539 1.839 26.058 201 2HB ASP 29 2HB ASP 29 -8.630 3.298 26.453 202 H ALA 30 H ALA 30 -7.035 2.023 23.699 203 HA ALA 30 HA ALA 30 -5.311 4.370 24.229 204 1HB ALA 30 1HB ALA 30 -4.717 2.075 24.961 205 2HB ALA 30 2HB ALA 30 -3.526 2.710 23.825 206 3HB ALA 30 3HB ALA 30 -4.732 1.544 23.281 207 H GLY 31 H GLY 31 -6.935 2.894 21.575 208 1HA GLY 31 1HA GLY 31 -5.935 4.885 19.722 209 2HA GLY 31 2HA GLY 31 -7.008 3.546 19.313 210 H LEU 32 H LEU 32 -5.609 1.316 19.828 211 HA LEU 32 HA LEU 32 -2.822 1.445 18.994 212 1HB LEU 32 1HB LEU 32 -4.872 -0.566 19.751 213 2HB LEU 32 2HB LEU 32 -3.573 -1.154 18.713 214 HG LEU 32 HG LEU 32 -3.002 -1.397 21.114 215 1HD1 LEU 32 1HD1 LEU 32 -1.340 -0.699 19.193 216 2HD1 LEU 32 2HD1 LEU 32 -1.269 0.826 20.077 217 3HD1 LEU 32 3HD1 LEU 32 -0.797 -0.676 20.871 218 1HD2 LEU 32 1HD2 LEU 32 -4.261 1.073 21.348 219 2HD2 LEU 32 2HD2 LEU 32 -3.336 0.263 22.613 220 3HD2 LEU 32 3HD2 LEU 32 -2.555 1.455 21.575 221 H ASP 33 H ASP 33 -2.040 0.323 17.001 222 HA ASP 33 HA ASP 33 -3.124 1.324 14.603 223 1HB ASP 33 1HB ASP 33 -1.155 -0.669 15.498 224 2HB ASP 33 2HB ASP 33 -1.820 -1.012 13.901 225 H GLY 34 H GLY 34 -4.330 0.240 12.897 226 1HA GLY 34 1HA GLY 34 -6.247 -0.938 12.196 227 2HA GLY 34 2HA GLY 34 -6.526 -1.377 13.881 228 H GLU 35 H GLU 35 -3.586 -2.009 12.018 229 HA GLU 35 HA GLU 35 -4.182 -4.767 11.403 230 1HB GLU 35 1HB GLU 35 -1.722 -3.020 11.532 231 2HB GLU 35 2HB GLU 35 -1.592 -4.734 11.137 232 1HG GLU 35 1HG GLU 35 -2.218 -4.302 9.019 233 2HG GLU 35 2HG GLU 35 -3.736 -3.619 9.600 234 H ASP 36 H ASP 36 -3.512 -3.230 14.335 235 HA ASP 36 HA ASP 36 -2.250 -5.661 15.542 236 1HB ASP 36 1HB ASP 36 -2.489 -2.733 16.262 237 2HB ASP 36 2HB ASP 36 -1.976 -3.925 17.457 238 H TYR 37 H TYR 37 -4.853 -3.277 16.180 239 HA TYR 37 HA TYR 37 -6.313 -5.442 17.659 240 1HB TYR 37 1HB TYR 37 -5.467 -3.901 19.275 241 2HB TYR 37 2HB TYR 37 -5.879 -2.512 18.270 242 HD1 TYR 37 HD1 TYR 37 -7.606 -5.525 19.710 243 HD2 TYR 37 HD2 TYR 37 -7.769 -1.311 18.893 244 HE1 TYR 37 HE1 TYR 37 -9.837 -5.404 20.787 245 HE2 TYR 37 HE2 TYR 37 -9.999 -1.189 19.970 246 HH TYR 37 HH TYR 37 -11.937 -2.938 20.383 247 H GLY 38 H GLY 38 -8.225 -5.883 16.648 248 1HA GLY 38 1HA GLY 38 -9.263 -4.448 14.440 249 2HA GLY 38 2HA GLY 38 -10.108 -3.873 15.876 250 H THR 39 H THR 39 -11.834 -5.010 14.318 251 HA THR 39 HA THR 39 -12.283 -7.718 15.489 252 HB THR 39 HB THR 39 -14.340 -6.213 13.932 253 HG1 THR 39 HG1 THR 39 -14.563 -4.693 15.436 254 1HG2 THR 39 1HG2 THR 39 -14.350 -8.446 15.516 255 2HG2 THR 39 2HG2 THR 39 -14.862 -7.203 16.656 256 3HG2 THR 39 3HG2 THR 39 -15.773 -7.464 15.169 257 H MET 40 H MET 40 -11.920 -9.453 14.160 258 HA MET 40 HA MET 40 -11.587 -9.029 11.257 259 1HB MET 40 1HB MET 40 -10.242 -10.509 13.017 260 2HB MET 40 2HB MET 40 -11.476 -11.700 12.609 261 1HG MET 40 1HG MET 40 -10.110 -10.241 10.378 262 2HG MET 40 2HG MET 40 -9.236 -11.536 11.195 263 1HE MET 40 1HE MET 40 -9.003 -13.339 10.445 264 2HE MET 40 2HE MET 40 -10.140 -14.532 9.823 265 3HE MET 40 3HE MET 40 -9.407 -13.367 8.723 266 H GLU 41 H GLU 41 -12.914 -10.104 9.682 267 HA GLU 41 HA GLU 41 -15.459 -11.282 10.752 268 1HB GLU 41 1HB GLU 41 -14.884 -9.039 8.901 269 2HB GLU 41 2HB GLU 41 -16.181 -10.121 8.395 270 1HG GLU 41 1HG GLU 41 -17.425 -9.728 10.387 271 2HG GLU 41 2HG GLU 41 -16.043 -8.985 11.194 272 H VAL 42 H VAL 42 -15.482 -13.407 10.134 273 HA VAL 42 HA VAL 42 -14.999 -14.092 7.299 274 HB VAL 42 HB VAL 42 -12.765 -14.150 8.271 275 1HG1 VAL 42 1HG1 VAL 42 -14.255 -15.322 10.524 276 2HG1 VAL 42 2HG1 VAL 42 -12.737 -16.146 10.167 277 3HG1 VAL 42 3HG1 VAL 42 -12.740 -14.420 10.527 278 1HG2 VAL 42 1HG2 VAL 42 -13.984 -16.913 7.980 279 2HG2 VAL 42 2HG2 VAL 42 -13.259 -15.943 6.697 280 3HG2 VAL 42 3HG2 VAL 42 -12.251 -16.586 7.994 281 H ALA 43 H ALA 43 -16.166 -15.946 6.722 282 HA ALA 43 HA ALA 43 -18.161 -16.926 8.607 283 1HB ALA 43 1HB ALA 43 -17.816 -16.699 5.849 284 2HB ALA 43 2HB ALA 43 -19.168 -17.494 6.656 285 3HB ALA 43 3HB ALA 43 -17.773 -18.439 6.135 286 H GLU 44 H GLU 44 -18.335 -19.128 9.357 287 HA GLU 44 HA GLU 44 -15.908 -20.367 10.221 288 1HB GLU 44 1HB GLU 44 -18.120 -20.591 11.298 289 2HB GLU 44 2HB GLU 44 -18.721 -21.463 9.889 290 1HG GLU 44 1HG GLU 44 -16.330 -22.763 10.647 291 2HG GLU 44 2HG GLU 44 -17.222 -22.477 12.141 292 H GLY 45 H GLY 45 -14.502 -21.586 9.028 293 1HA GLY 45 1HA GLY 45 -15.571 -22.981 6.605 294 2HA GLY 45 2HA GLY 45 -14.326 -23.685 7.637 295 H GLU 46 H GLU 46 -14.075 -20.297 7.235 296 HA GLU 46 HA GLU 46 -12.194 -20.556 4.933 297 1HB GLU 46 1HB GLU 46 -14.080 -18.614 5.974 298 2HB GLU 46 2HB GLU 46 -12.495 -17.874 5.749 299 1HG GLU 46 1HG GLU 46 -12.748 -17.879 3.510 300 2HG GLU 46 2HG GLU 46 -13.124 -19.601 3.512 301 H TYR 47 H TYR 47 -10.012 -20.539 5.338 302 HA TYR 47 HA TYR 47 -8.819 -20.580 7.878 303 1HB TYR 47 1HB TYR 47 -7.778 -19.638 5.188 304 2HB TYR 47 2HB TYR 47 -6.745 -20.000 6.570 305 HD1 TYR 47 HD1 TYR 47 -8.269 -22.347 7.699 306 HD2 TYR 47 HD2 TYR 47 -7.162 -21.360 3.666 307 HE1 TYR 47 HE1 TYR 47 -8.316 -24.753 7.096 308 HE2 TYR 47 HE2 TYR 47 -7.209 -23.766 3.065 309 HH TYR 47 HH TYR 47 -7.545 -25.832 3.782 310 H ILE 48 H ILE 48 -8.572 -19.000 9.400 311 HA ILE 48 HA ILE 48 -9.526 -16.383 9.278 312 HB ILE 48 HB ILE 48 -7.281 -17.703 10.809 313 1HG1 ILE 48 1HG1 ILE 48 -9.991 -16.733 11.740 314 2HG1 ILE 48 2HG1 ILE 48 -9.727 -18.358 11.110 315 1HG2 ILE 48 1HG2 ILE 48 -7.790 -14.888 10.548 316 2HG2 ILE 48 2HG2 ILE 48 -8.218 -15.395 12.181 317 3HG2 ILE 48 3HG2 ILE 48 -6.595 -15.696 11.561 318 1HD1 ILE 48 1HD1 ILE 48 -7.951 -18.690 12.839 319 2HD1 ILE 48 2HD1 ILE 48 -8.354 -17.107 13.508 320 3HD1 ILE 48 3HD1 ILE 48 -9.545 -18.408 13.542 321 H LEU 49 H LEU 49 -6.028 -17.156 9.120 322 HA LEU 49 HA LEU 49 -4.983 -14.719 8.368 323 1HB LEU 49 1HB LEU 49 -3.719 -16.803 8.752 324 2HB LEU 49 2HB LEU 49 -4.325 -17.455 7.230 325 HG LEU 49 HG LEU 49 -3.053 -14.792 7.029 326 1HD1 LEU 49 1HD1 LEU 49 -1.736 -16.419 8.714 327 2HD1 LEU 49 2HD1 LEU 49 -1.147 -17.079 7.188 328 3HD1 LEU 49 3HD1 LEU 49 -0.893 -15.376 7.569 329 1HD2 LEU 49 1HD2 LEU 49 -3.372 -17.302 5.482 330 2HD2 LEU 49 2HD2 LEU 49 -3.421 -15.628 4.931 331 3HD2 LEU 49 3HD2 LEU 49 -1.869 -16.421 5.207 332 H GLU 50 H GLU 50 -6.984 -16.818 6.387 333 HA GLU 50 HA GLU 50 -6.361 -15.486 3.860 334 1HB GLU 50 1HB GLU 50 -7.612 -17.837 4.797 335 2HB GLU 50 2HB GLU 50 -8.861 -16.939 3.937 336 1HG GLU 50 1HG GLU 50 -6.169 -17.125 2.658 337 2HG GLU 50 2HG GLU 50 -7.174 -18.574 2.656 338 H ALA 51 H ALA 51 -9.337 -15.656 5.862 339 HA ALA 51 HA ALA 51 -10.806 -13.684 4.452 340 1HB ALA 51 1HB ALA 51 -11.334 -15.416 6.397 341 2HB ALA 51 2HB ALA 51 -11.063 -14.003 7.416 342 3HB ALA 51 3HB ALA 51 -12.325 -13.974 6.184 343 H ALA 52 H ALA 52 -8.473 -13.345 7.093 344 HA ALA 52 HA ALA 52 -8.983 -10.492 7.449 345 1HB ALA 52 1HB ALA 52 -6.734 -10.830 8.761 346 2HB ALA 52 2HB ALA 52 -7.019 -12.541 8.440 347 3HB ALA 52 3HB ALA 52 -8.201 -11.607 9.358 348 H GLU 53 H GLU 53 -6.370 -12.417 5.994 349 HA GLU 53 HA GLU 53 -4.714 -10.278 5.136 350 1HB GLU 53 1HB GLU 53 -3.912 -12.524 5.078 351 2HB GLU 53 2HB GLU 53 -5.284 -13.067 4.113 352 1HG GLU 53 1HG GLU 53 -4.497 -11.703 2.216 353 2HG GLU 53 2HG GLU 53 -3.132 -11.139 3.182 354 H ALA 54 H ALA 54 -7.706 -11.548 3.817 355 HA ALA 54 HA ALA 54 -7.461 -10.265 1.212 356 1HB ALA 54 1HB ALA 54 -9.094 -11.798 0.916 357 2HB ALA 54 2HB ALA 54 -9.210 -12.051 2.657 358 3HB ALA 54 3HB ALA 54 -10.166 -10.787 1.885 359 H GLN 55 H GLN 55 -8.318 -9.202 4.375 360 HA GLN 55 HA GLN 55 -9.879 -6.883 3.358 361 1HB GLN 55 1HB GLN 55 -9.266 -8.075 6.072 362 2HB GLN 55 2HB GLN 55 -10.114 -6.538 5.891 363 1HG GLN 55 1HG GLN 55 -11.632 -7.907 4.229 364 2HG GLN 55 2HG GLN 55 -11.008 -9.299 5.114 365 2HE2 GLN 55 2HE2 GLN 55 -12.310 -9.856 6.862 366 1HE2 GLN 55 1HE2 GLN 55 -13.248 -8.773 7.770 367 H GLY 56 H GLY 56 -6.691 -7.714 4.449 368 1HA GLY 56 1HA GLY 56 -6.021 -4.805 4.668 369 2HA GLY 56 2HA GLY 56 -4.999 -5.928 3.771 370 H TYR 57 H TYR 57 -6.068 -7.758 6.238 371 HA TYR 57 HA TYR 57 -4.438 -6.746 8.443 372 1HB TYR 57 1HB TYR 57 -5.912 -9.326 7.843 373 2HB TYR 57 2HB TYR 57 -5.086 -9.030 9.371 374 HD1 TYR 57 HD1 TYR 57 -6.076 -5.870 8.414 375 HD2 TYR 57 HD2 TYR 57 -7.782 -9.570 9.781 376 HE1 TYR 57 HE1 TYR 57 -8.063 -4.645 9.249 377 HE2 TYR 57 HE2 TYR 57 -9.768 -8.344 10.615 378 HH TYR 57 HH TYR 57 -9.843 -4.998 10.984 379 H ASP 58 H ASP 58 -2.772 -8.387 9.418 380 HA ASP 58 HA ASP 58 -1.244 -9.813 7.286 381 1HB ASP 58 1HB ASP 58 -0.569 -7.332 8.720 382 2HB ASP 58 2HB ASP 58 0.712 -8.544 8.759 383 H TRP 59 H TRP 59 -0.425 -11.736 8.051 384 HA TRP 59 HA TRP 59 -0.123 -12.092 11.008 385 1HB TRP 59 1HB TRP 59 -1.358 -14.145 9.154 386 2HB TRP 59 2HB TRP 59 -1.401 -14.113 10.916 387 HD1 TRP 59 HD1 TRP 59 -2.604 -11.884 7.983 388 HE1 TRP 59 HE1 TRP 59 -4.862 -10.842 8.647 389 HE3 TRP 59 HE3 TRP 59 -3.088 -13.752 12.714 390 HZ2 TRP 59 HZ2 TRP 59 -6.644 -10.808 10.878 391 HZ3 TRP 59 HZ3 TRP 59 -5.079 -13.200 14.082 392 HH2 TRP 59 HH2 TRP 59 -6.858 -11.733 13.170 393 HA PRO 60 HA PRO 60 3.672 -13.950 9.758 394 1HB PRO 60 1HB PRO 60 4.171 -15.476 11.975 395 2HB PRO 60 2HB PRO 60 4.363 -13.712 11.951 396 1HG PRO 60 1HG PRO 60 2.138 -15.368 13.035 397 2HG PRO 60 2HG PRO 60 2.860 -13.890 13.680 398 1HD PRO 60 1HD PRO 60 0.483 -13.961 12.321 399 2HD PRO 60 2HD PRO 60 1.542 -12.536 12.384 400 H PHE 61 H PHE 61 4.243 -15.831 8.644 401 HA PHE 61 HA PHE 61 2.954 -18.407 9.242 402 1HB PHE 61 1HB PHE 61 1.721 -18.538 7.184 403 2HB PHE 61 2HB PHE 61 1.336 -16.966 7.885 404 HD1 PHE 61 HD1 PHE 61 3.343 -18.711 5.302 405 HD2 PHE 61 HD2 PHE 61 2.047 -14.916 6.841 406 HE1 PHE 61 HE1 PHE 61 4.203 -17.591 3.264 407 HE2 PHE 61 HE2 PHE 61 2.906 -13.796 4.802 408 HZ PHE 61 HZ PHE 61 3.985 -15.133 3.013 409 H SER 62 H SER 62 4.052 -20.149 8.186 410 HA SER 62 HA SER 62 6.301 -19.446 6.363 411 1HB SER 62 1HB SER 62 6.826 -19.540 8.938 412 2HB SER 62 2HB SER 62 6.729 -21.287 8.706 413 HG SER 62 HG SER 62 8.320 -21.108 7.109 414 H CYS 63 H CYS 63 4.965 -22.254 8.160 415 HA CYS 63 HA CYS 63 5.522 -24.057 5.944 416 1HB CYS 63 1HB CYS 63 4.986 -25.686 7.513 417 2HB CYS 63 2HB CYS 63 5.416 -24.346 8.571 418 H ARG 64 H ARG 64 2.555 -22.546 7.261 419 HA ARG 64 HA ARG 64 0.470 -22.153 6.210 420 1HB ARG 64 1HB ARG 64 2.530 -22.097 4.279 421 2HB ARG 64 2HB ARG 64 1.202 -23.002 3.551 422 1HG ARG 64 1HG ARG 64 -0.024 -21.125 3.302 423 2HG ARG 64 2HG ARG 64 0.207 -20.687 4.995 424 1HD ARG 64 1HD ARG 64 1.457 -18.958 4.165 425 2HD ARG 64 2HD ARG 64 2.705 -20.189 3.888 426 HE ARG 64 HE ARG 64 2.253 -19.916 1.587 427 1HH1 ARG 64 1HH1 ARG 64 0.235 -17.710 2.786 428 2HH1 ARG 64 2HH1 ARG 64 -1.116 -18.025 1.748 429 1HH2 ARG 64 1HH2 ARG 64 0.172 -21.008 0.537 430 2HH2 ARG 64 2HH2 ARG 64 -1.150 -19.893 0.475 431 H ALA 65 H ALA 65 1.217 -24.960 7.133 432 HA ALA 65 HA ALA 65 -0.924 -26.384 5.638 433 1HB ALA 65 1HB ALA 65 1.417 -27.973 6.520 434 2HB ALA 65 2HB ALA 65 0.503 -28.064 5.015 435 3HB ALA 65 3HB ALA 65 1.737 -26.821 5.223 436 H GLY 66 H GLY 66 0.124 -25.271 8.576 437 1HA GLY 66 1HA GLY 66 -1.675 -27.070 10.028 438 2HA GLY 66 2HA GLY 66 -0.822 -25.685 10.710 439 H ALA 67 H ALA 67 1.823 -26.464 9.878 440 HA ALA 67 HA ALA 67 2.217 -28.906 11.576 441 1HB ALA 67 1HB ALA 67 2.559 -29.055 9.038 442 2HB ALA 67 2HB ALA 67 3.909 -29.594 10.036 443 3HB ALA 67 3HB ALA 67 3.957 -28.006 9.271 444 H CYS 68 H CYS 68 2.629 -25.639 11.641 445 HA CYS 68 HA CYS 68 5.003 -25.906 13.418 446 1HB CYS 68 1HB CYS 68 6.313 -24.449 12.178 447 2HB CYS 68 2HB CYS 68 5.400 -25.213 10.882 448 H ALA 69 H ALA 69 5.362 -23.452 14.373 449 HA ALA 69 HA ALA 69 2.628 -22.535 15.218 450 1HB ALA 69 1HB ALA 69 4.776 -23.664 16.662 451 2HB ALA 69 2HB ALA 69 3.305 -22.954 17.326 452 3HB ALA 69 3HB ALA 69 4.742 -21.957 17.103 453 H ASN 70 H ASN 70 4.977 -21.530 13.248 454 HA ASN 70 HA ASN 70 5.872 -18.998 14.154 455 1HB ASN 70 1HB ASN 70 5.284 -20.294 11.505 456 2HB ASN 70 2HB ASN 70 5.752 -18.595 11.546 457 2HD2 ASN 70 2HD2 ASN 70 7.015 -20.677 14.064 458 1HD2 ASN 70 1HD2 ASN 70 8.597 -20.778 13.458 459 H CYS 71 H CYS 71 2.839 -19.932 12.540 460 HA CYS 71 HA CYS 71 1.836 -17.151 12.566 461 1HB CYS 71 1HB CYS 71 0.053 -18.099 11.262 462 2HB CYS 71 2HB CYS 71 1.519 -18.929 10.739 463 H ALA 72 H ALA 72 2.307 -19.176 14.980 464 HA ALA 72 HA ALA 72 -0.016 -19.917 16.279 465 1HB ALA 72 1HB ALA 72 2.104 -20.389 17.231 466 2HB ALA 72 2HB ALA 72 1.347 -19.278 18.374 467 3HB ALA 72 3HB ALA 72 2.565 -18.687 17.244 468 H SER 73 H SER 73 -1.408 -18.911 17.805 469 HA SER 73 HA SER 73 -1.388 -15.952 18.043 470 1HB SER 73 1HB SER 73 -3.644 -17.627 16.884 471 2HB SER 73 2HB SER 73 -3.768 -15.910 17.269 472 HG SER 73 HG SER 73 -2.524 -17.172 15.168 473 H ILE 74 H ILE 74 -2.398 -15.312 20.021 474 HA ILE 74 HA ILE 74 -2.984 -17.523 21.893 475 HB ILE 74 HB ILE 74 -2.382 -14.578 22.057 476 1HG1 ILE 74 1HG1 ILE 74 -0.506 -15.322 23.357 477 2HG1 ILE 74 2HG1 ILE 74 -1.187 -16.939 23.527 478 1HG2 ILE 74 1HG2 ILE 74 -3.885 -16.245 24.005 479 2HG2 ILE 74 2HG2 ILE 74 -2.590 -15.250 24.669 480 3HG2 ILE 74 3HG2 ILE 74 -3.907 -14.498 23.769 481 1HD1 ILE 74 1HD1 ILE 74 -0.531 -15.757 20.825 482 2HD1 ILE 74 2HD1 ILE 74 0.665 -16.648 21.768 483 3HD1 ILE 74 3HD1 ILE 74 -0.814 -17.450 21.234 484 H VAL 75 H VAL 75 -5.097 -18.197 21.321 485 HA VAL 75 HA VAL 75 -7.295 -16.475 20.710 486 HB VAL 75 HB VAL 75 -7.137 -18.946 20.355 487 1HG1 VAL 75 1HG1 VAL 75 -6.223 -19.119 22.858 488 2HG1 VAL 75 2HG1 VAL 75 -7.932 -19.386 23.203 489 3HG1 VAL 75 3HG1 VAL 75 -7.076 -20.464 22.098 490 1HG2 VAL 75 1HG2 VAL 75 -9.472 -18.010 22.051 491 2HG2 VAL 75 2HG2 VAL 75 -9.337 -17.861 20.298 492 3HG2 VAL 75 3HG2 VAL 75 -9.473 -19.456 21.042 493 H LYS 76 H LYS 76 -8.197 -14.952 22.073 494 HA LYS 76 HA LYS 76 -7.798 -15.177 24.997 495 1HB LYS 76 1HB LYS 76 -7.730 -13.125 23.213 496 2HB LYS 76 2HB LYS 76 -9.390 -12.981 23.791 497 1HG LYS 76 1HG LYS 76 -8.451 -11.800 25.499 498 2HG LYS 76 2HG LYS 76 -8.040 -13.391 26.137 499 1HD LYS 76 1HD LYS 76 -5.835 -13.045 25.798 500 2HD LYS 76 2HD LYS 76 -6.112 -12.513 24.140 501 1HE LYS 76 1HE LYS 76 -6.515 -10.253 24.830 502 2HE LYS 76 2HE LYS 76 -6.654 -10.728 26.533 503 1HZ LYS 76 1HZ LYS 76 -4.221 -11.645 25.317 504 2HZ LYS 76 2HZ LYS 76 -4.353 -9.953 25.271 505 3HZ LYS 76 3HZ LYS 76 -4.443 -10.771 26.756 506 H GLU 77 H GLU 77 -10.119 -16.213 22.774 507 HA GLU 77 HA GLU 77 -11.971 -17.105 24.752 508 1HB GLU 77 1HB GLU 77 -12.024 -14.349 24.355 509 2HB GLU 77 2HB GLU 77 -13.378 -14.931 23.388 510 1HG GLU 77 1HG GLU 77 -14.587 -15.473 25.224 511 2HG GLU 77 2HG GLU 77 -13.204 -16.244 26.002 512 H GLY 78 H GLY 78 -14.180 -17.648 23.657 513 1HA GLY 78 1HA GLY 78 -14.292 -17.743 20.768 514 2HA GLY 78 2HA GLY 78 -15.381 -18.586 21.868 515 H GLU 79 H GLU 79 -14.420 -19.831 19.548 516 HA GLU 79 HA GLU 79 -12.186 -21.603 20.359 517 1HB GLU 79 1HB GLU 79 -14.209 -22.528 21.423 518 2HB GLU 79 2HB GLU 79 -15.033 -22.535 19.863 519 1HG GLU 79 1HG GLU 79 -13.979 -24.429 19.191 520 2HG GLU 79 2HG GLU 79 -12.423 -23.891 19.825 521 H ILE 80 H ILE 80 -11.002 -21.982 18.526 522 HA ILE 80 HA ILE 80 -12.263 -21.456 15.880 523 HB ILE 80 HB ILE 80 -9.433 -21.673 16.937 524 1HG1 ILE 80 1HG1 ILE 80 -10.484 -19.323 15.442 525 2HG1 ILE 80 2HG1 ILE 80 -11.134 -19.589 17.060 526 1HG2 ILE 80 1HG2 ILE 80 -9.892 -22.586 14.513 527 2HG2 ILE 80 2HG2 ILE 80 -10.080 -20.881 14.109 528 3HG2 ILE 80 3HG2 ILE 80 -8.557 -21.466 14.776 529 1HD1 ILE 80 1HD1 ILE 80 -8.291 -19.992 17.125 530 2HD1 ILE 80 2HD1 ILE 80 -8.628 -18.440 16.358 531 3HD1 ILE 80 3HD1 ILE 80 -9.246 -18.778 17.975 532 H ASP 81 H ASP 81 -12.156 -23.025 14.197 533 HA ASP 81 HA ASP 81 -11.851 -25.834 15.137 534 1HB ASP 81 1HB ASP 81 -13.933 -25.178 14.039 535 2HB ASP 81 2HB ASP 81 -13.039 -24.539 12.660 536 H MET 82 H MET 82 -10.640 -27.355 13.730 537 HA MET 82 HA MET 82 -8.905 -26.338 11.618 538 1HB MET 82 1HB MET 82 -6.812 -26.788 13.021 539 2HB MET 82 2HB MET 82 -7.738 -25.356 13.471 540 1HG MET 82 1HG MET 82 -8.816 -26.563 15.288 541 2HG MET 82 2HG MET 82 -8.049 -28.071 14.787 542 1HE MET 82 1HE MET 82 -7.524 -28.330 17.132 543 2HE MET 82 2HE MET 82 -6.062 -28.904 16.332 544 3HE MET 82 3HE MET 82 -5.945 -27.900 17.783 545 H ASP 83 H ASP 83 -8.227 -28.066 10.372 546 HA ASP 83 HA ASP 83 -9.247 -30.640 10.545 547 1HB ASP 83 1HB ASP 83 -6.489 -29.811 9.579 548 2HB ASP 83 2HB ASP 83 -7.385 -31.234 9.049 549 H MET 84 H MET 84 -8.592 -32.583 11.552 550 HA MET 84 HA MET 84 -7.345 -32.478 14.099 551 1HB MET 84 1HB MET 84 -8.696 -34.299 12.499 552 2HB MET 84 2HB MET 84 -7.094 -35.020 12.651 553 1HG MET 84 1HG MET 84 -7.783 -35.788 14.664 554 2HG MET 84 2HG MET 84 -7.653 -34.121 15.224 555 1HE MET 84 1HE MET 84 -9.223 -32.451 14.424 556 2HE MET 84 2HE MET 84 -10.979 -32.596 14.396 557 3HE MET 84 3HE MET 84 -10.123 -32.641 15.936 558 H GLN 85 H GLN 85 -5.197 -32.528 14.709 559 HA GLN 85 HA GLN 85 -3.140 -33.530 12.827 560 1HB GLN 85 1HB GLN 85 -3.818 -30.987 12.538 561 2HB GLN 85 2HB GLN 85 -2.798 -30.772 13.962 562 1HG GLN 85 1HG GLN 85 -0.897 -31.130 12.782 563 2HG GLN 85 2HG GLN 85 -1.590 -32.508 11.926 564 2HE2 GLN 85 2HE2 GLN 85 -0.773 -31.731 9.841 565 1HE2 GLN 85 1HE2 GLN 85 -1.465 -30.385 9.072 566 H GLN 86 H GLN 86 -0.894 -32.582 14.130 567 HA GLN 86 HA GLN 86 -1.215 -33.207 17.024 568 1HB GLN 86 1HB GLN 86 -0.185 -34.949 14.921 569 2HB GLN 86 2HB GLN 86 1.012 -34.682 16.188 570 1HG GLN 86 1HG GLN 86 -1.611 -35.105 17.345 571 2HG GLN 86 2HG GLN 86 -1.181 -36.445 16.282 572 2HE2 GLN 86 2HE2 GLN 86 1.220 -37.241 16.644 573 1HE2 GLN 86 1HE2 GLN 86 1.737 -37.329 18.258 574 H ILE 87 H ILE 87 -0.367 -30.869 15.234 575 HA ILE 87 HA ILE 87 2.502 -30.533 15.695 576 HB ILE 87 HB ILE 87 1.382 -29.574 13.756 577 1HG1 ILE 87 1HG1 ILE 87 2.056 -27.206 14.003 578 2HG1 ILE 87 2HG1 ILE 87 2.156 -27.423 15.751 579 1HG2 ILE 87 1HG2 ILE 87 -0.677 -29.065 15.619 580 2HG2 ILE 87 2HG2 ILE 87 -0.126 -27.482 15.069 581 3HG2 ILE 87 3HG2 ILE 87 -0.681 -28.678 13.897 582 1HD1 ILE 87 1HD1 ILE 87 3.693 -29.259 13.933 583 2HD1 ILE 87 2HD1 ILE 87 4.332 -27.656 14.299 584 3HD1 ILE 87 3HD1 ILE 87 4.036 -28.806 15.603 585 H LEU 88 H LEU 88 -0.449 -29.747 17.413 586 HA LEU 88 HA LEU 88 1.206 -28.374 19.505 587 1HB LEU 88 1HB LEU 88 -1.474 -27.658 18.294 588 2HB LEU 88 2HB LEU 88 -0.911 -26.962 19.814 589 HG LEU 88 HG LEU 88 1.024 -26.900 17.563 590 1HD1 LEU 88 1HD1 LEU 88 -1.497 -25.216 17.622 591 2HD1 LEU 88 2HD1 LEU 88 -0.080 -24.838 16.642 592 3HD1 LEU 88 3HD1 LEU 88 -0.990 -26.319 16.341 593 1HD2 LEU 88 1HD2 LEU 88 0.700 -25.719 20.088 594 2HD2 LEU 88 2HD2 LEU 88 1.928 -25.313 18.889 595 3HD2 LEU 88 3HD2 LEU 88 0.411 -24.413 18.937 596 H SER 89 H SER 89 -0.617 -28.101 21.483 597 HA SER 89 HA SER 89 -1.844 -30.807 21.881 598 1HB SER 89 1HB SER 89 0.473 -29.666 23.108 599 2HB SER 89 2HB SER 89 -0.789 -29.767 24.335 600 HG SER 89 HG SER 89 -0.041 -31.754 24.408 601 H ASP 90 H ASP 90 -3.645 -30.788 23.386 602 HA ASP 90 HA ASP 90 -5.363 -28.527 23.262 603 1HB ASP 90 1HB ASP 90 -6.172 -30.773 23.649 604 2HB ASP 90 2HB ASP 90 -5.209 -30.916 25.120 605 H GLU 91 H GLU 91 -3.206 -29.638 25.872 606 HA GLU 91 HA GLU 91 -3.875 -27.735 27.855 607 1HB GLU 91 1HB GLU 91 -1.454 -29.325 27.068 608 2HB GLU 91 2HB GLU 91 -1.283 -28.107 28.331 609 1HG GLU 91 1HG GLU 91 -1.843 -30.290 29.319 610 2HG GLU 91 2HG GLU 91 -3.160 -29.145 29.573 611 H GLU 92 H GLU 92 -1.965 -27.415 24.923 612 HA GLU 92 HA GLU 92 -0.783 -24.843 25.616 613 1HB GLU 92 1HB GLU 92 -0.810 -26.805 23.448 614 2HB GLU 92 2HB GLU 92 -0.808 -25.150 22.839 615 1HG GLU 92 1HG GLU 92 1.117 -24.656 24.379 616 2HG GLU 92 2HG GLU 92 1.164 -26.370 24.793 617 H VAL 93 H VAL 93 -3.735 -25.950 24.053 618 HA VAL 93 HA VAL 93 -4.482 -23.352 22.960 619 HB VAL 93 HB VAL 93 -6.087 -25.859 23.572 620 1HG1 VAL 93 1HG1 VAL 93 -6.781 -23.260 22.472 621 2HG1 VAL 93 2HG1 VAL 93 -7.081 -24.545 21.301 622 3HG1 VAL 93 3HG1 VAL 93 -7.837 -24.609 22.892 623 1HG2 VAL 93 1HG2 VAL 93 -3.950 -25.835 21.976 624 2HG2 VAL 93 2HG2 VAL 93 -5.406 -26.729 21.539 625 3HG2 VAL 93 3HG2 VAL 93 -5.105 -25.139 20.840 626 H GLU 94 H GLU 94 -4.901 -25.046 25.999 627 HA GLU 94 HA GLU 94 -6.882 -23.047 26.968 628 1HB GLU 94 1HB GLU 94 -6.620 -25.759 27.256 629 2HB GLU 94 2HB GLU 94 -5.857 -25.185 28.740 630 1HG GLU 94 1HG GLU 94 -7.815 -24.095 29.466 631 2HG GLU 94 2HG GLU 94 -8.518 -24.084 27.849 632 H GLU 95 H GLU 95 -3.590 -24.234 27.586 633 HA GLU 95 HA GLU 95 -3.189 -22.266 29.762 634 1HB GLU 95 1HB GLU 95 -2.373 -24.741 29.565 635 2HB GLU 95 2HB GLU 95 -1.112 -24.070 28.530 636 1HG GLU 95 1HG GLU 95 -0.534 -22.466 30.365 637 2HG GLU 95 2HG GLU 95 -1.706 -23.283 31.398 638 H LYS 96 H LYS 96 -2.037 -22.895 26.445 639 HA LYS 96 HA LYS 96 -0.552 -20.301 26.509 640 1HB LYS 96 1HB LYS 96 0.140 -22.834 25.686 641 2HB LYS 96 2HB LYS 96 -0.334 -22.078 24.164 642 1HG LYS 96 1HG LYS 96 1.329 -20.441 24.308 643 2HG LYS 96 2HG LYS 96 1.458 -20.586 26.061 644 1HD LYS 96 1HD LYS 96 3.067 -22.156 25.879 645 2HD LYS 96 2HD LYS 96 2.087 -23.107 24.764 646 1HE LYS 96 1HE LYS 96 2.845 -20.993 23.168 647 2HE LYS 96 2HE LYS 96 4.282 -21.226 24.181 648 1HZ LYS 96 1HZ LYS 96 2.809 -23.410 22.797 649 2HZ LYS 96 2HZ LYS 96 4.241 -22.708 22.216 650 3HZ LYS 96 3HZ LYS 96 4.250 -23.567 23.681 651 H ASP 97 H ASP 97 -3.524 -21.551 25.537 652 HA ASP 97 HA ASP 97 -5.159 -20.811 23.982 653 1HB ASP 97 1HB ASP 97 -3.707 -18.556 25.203 654 2HB ASP 97 2HB ASP 97 -4.559 -18.127 23.715 655 H VAL 98 H VAL 98 -2.408 -21.648 22.899 656 HA VAL 98 HA VAL 98 -1.963 -19.884 20.613 657 HB VAL 98 HB VAL 98 -0.230 -21.211 21.884 658 1HG1 VAL 98 1HG1 VAL 98 -2.043 -23.319 21.263 659 2HG1 VAL 98 2HG1 VAL 98 -0.534 -23.657 20.415 660 3HG1 VAL 98 3HG1 VAL 98 -0.529 -23.424 22.162 661 1HG2 VAL 98 1HG2 VAL 98 0.046 -20.338 19.505 662 2HG2 VAL 98 2HG2 VAL 98 1.086 -21.695 19.941 663 3HG2 VAL 98 3HG2 VAL 98 -0.351 -21.967 18.955 664 H ARG 99 H ARG 99 -1.938 -20.835 18.369 665 HA ARG 99 HA ARG 99 -3.473 -23.147 17.639 666 1HB ARG 99 1HB ARG 99 -5.074 -21.289 18.717 667 2HB ARG 99 2HB ARG 99 -5.017 -20.646 17.075 668 1HG ARG 99 1HG ARG 99 -6.654 -22.140 16.602 669 2HG ARG 99 2HG ARG 99 -5.387 -23.364 16.670 670 1HD ARG 99 1HD ARG 99 -5.888 -23.890 18.958 671 2HD ARG 99 2HD ARG 99 -6.915 -22.454 19.130 672 HE ARG 99 HE ARG 99 -7.823 -24.106 16.937 673 1HH1 ARG 99 1HH1 ARG 99 -8.681 -22.887 19.906 674 2HH1 ARG 99 2HH1 ARG 99 -9.727 -24.192 20.356 675 1HH2 ARG 99 1HH2 ARG 99 -8.778 -26.217 17.705 676 2HH2 ARG 99 2HH2 ARG 99 -9.780 -26.078 19.111 677 H LEU 100 H LEU 100 -4.052 -22.984 15.190 678 HA LEU 100 HA LEU 100 -1.933 -21.350 13.838 679 1HB LEU 100 1HB LEU 100 -3.377 -23.796 12.794 680 2HB LEU 100 2HB LEU 100 -1.837 -23.133 12.247 681 HG LEU 100 HG LEU 100 -2.339 -24.279 15.011 682 1HD1 LEU 100 1HD1 LEU 100 -1.539 -25.489 12.439 683 2HD1 LEU 100 2HD1 LEU 100 -0.485 -25.888 13.796 684 3HD1 LEU 100 3HD1 LEU 100 -2.210 -26.252 13.881 685 1HD2 LEU 100 1HD2 LEU 100 -0.199 -22.705 13.805 686 2HD2 LEU 100 2HD2 LEU 100 -0.454 -23.132 15.497 687 3HD2 LEU 100 3HD2 LEU 100 0.390 -24.247 14.424 688 H THR 101 H THR 101 -2.811 -19.555 12.882 689 HA THR 101 HA THR 101 -5.637 -19.449 12.104 690 HB THR 101 HB THR 101 -4.861 -17.127 11.364 691 HG1 THR 101 HG1 THR 101 -2.706 -16.716 12.383 692 1HG2 THR 101 1HG2 THR 101 -4.647 -18.261 14.121 693 2HG2 THR 101 2HG2 THR 101 -4.134 -16.595 13.863 694 3HG2 THR 101 3HG2 THR 101 -5.786 -17.078 13.481 695 H CYS 102 H CYS 102 -2.639 -20.264 10.563 696 HA CYS 102 HA CYS 102 -3.349 -19.523 7.855 697 1HB CYS 102 1HB CYS 102 -1.385 -20.883 7.308 698 2HB CYS 102 2HB CYS 102 -1.049 -19.906 8.736 699 H ILE 103 H ILE 103 -3.893 -22.396 9.845 700 HA ILE 103 HA ILE 103 -5.482 -23.553 7.578 701 HB ILE 103 HB ILE 103 -4.654 -25.764 8.369 702 1HG1 ILE 103 1HG1 ILE 103 -2.421 -24.874 9.920 703 2HG1 ILE 103 2HG1 ILE 103 -3.887 -24.202 10.631 704 1HG2 ILE 103 1HG2 ILE 103 -2.753 -23.599 7.518 705 2HG2 ILE 103 2HG2 ILE 103 -2.134 -25.216 7.851 706 3HG2 ILE 103 3HG2 ILE 103 -3.350 -24.979 6.598 707 1HD1 ILE 103 1HD1 ILE 103 -3.693 -27.110 9.835 708 2HD1 ILE 103 2HD1 ILE 103 -3.184 -26.547 11.427 709 3HD1 ILE 103 3HD1 ILE 103 -4.861 -26.353 10.917 710 H GLY 104 H GLY 104 -6.113 -21.964 10.159 711 1HA GLY 104 1HA GLY 104 -7.232 -22.842 12.294 712 2HA GLY 104 2HA GLY 104 -8.107 -23.927 11.213 713 H SER 105 H SER 105 -10.182 -23.100 11.529 714 HA SER 105 HA SER 105 -10.593 -20.238 10.718 715 1HB SER 105 1HB SER 105 -12.564 -22.491 10.332 716 2HB SER 105 2HB SER 105 -12.463 -20.962 9.460 717 HG SER 105 HG SER 105 -10.353 -21.757 8.728 718 HA PRO 106 HA PRO 106 -12.860 -19.658 14.426 719 1HB PRO 106 1HB PRO 106 -14.966 -18.115 13.603 720 2HB PRO 106 2HB PRO 106 -13.307 -17.500 13.732 721 1HG PRO 106 1HG PRO 106 -14.821 -18.401 11.325 722 2HG PRO 106 2HG PRO 106 -13.707 -17.039 11.509 723 1HD PRO 106 1HD PRO 106 -13.013 -19.407 10.344 724 2HD PRO 106 2HD PRO 106 -11.853 -18.351 11.178 725 H ALA 107 H ALA 107 -14.238 -21.018 15.520 726 HA ALA 107 HA ALA 107 -16.301 -22.493 13.933 727 1HB ALA 107 1HB ALA 107 -15.061 -23.090 16.639 728 2HB ALA 107 2HB ALA 107 -16.055 -24.184 15.677 729 3HB ALA 107 3HB ALA 107 -14.452 -23.718 15.109 730 H ALA 108 H ALA 108 -15.833 -20.287 16.604 731 HA ALA 108 HA ALA 108 -18.672 -20.602 17.466 732 1HB ALA 108 1HB ALA 108 -16.766 -20.644 19.097 733 2HB ALA 108 2HB ALA 108 -17.920 -19.350 19.423 734 3HB ALA 108 3HB ALA 108 -16.384 -18.985 18.635 735 H ASP 109 H ASP 109 -19.273 -18.096 18.348 736 HA ASP 109 HA ASP 109 -19.646 -16.611 15.831 737 1HB ASP 109 1HB ASP 109 -21.148 -17.096 18.056 738 2HB ASP 109 2HB ASP 109 -20.523 -15.490 18.430 739 H GLU 110 H GLU 110 -18.773 -15.407 19.087 740 HA GLU 110 HA GLU 110 -16.988 -13.401 17.792 741 1HB GLU 110 1HB GLU 110 -18.502 -13.692 20.363 742 2HB GLU 110 2HB GLU 110 -17.100 -12.624 20.332 743 1HG GLU 110 1HG GLU 110 -18.235 -11.049 19.183 744 2HG GLU 110 2HG GLU 110 -18.771 -12.228 17.986 745 H VAL 111 H VAL 111 -15.159 -14.829 17.412 746 HA VAL 111 HA VAL 111 -13.921 -16.131 19.777 747 HB VAL 111 HB VAL 111 -13.055 -16.052 16.871 748 1HG1 VAL 111 1HG1 VAL 111 -11.809 -17.057 19.161 749 2HG1 VAL 111 2HG1 VAL 111 -12.563 -18.471 18.423 750 3HG1 VAL 111 3HG1 VAL 111 -11.429 -17.492 17.493 751 1HG2 VAL 111 1HG2 VAL 111 -15.179 -17.605 18.289 752 2HG2 VAL 111 2HG2 VAL 111 -15.140 -17.020 16.626 753 3HG2 VAL 111 3HG2 VAL 111 -14.212 -18.449 17.080 754 H LYS 112 H LYS 112 -12.284 -15.129 20.883 755 HA LYS 112 HA LYS 112 -11.020 -12.713 19.649 756 1HB LYS 112 1HB LYS 112 -11.096 -13.618 22.542 757 2HB LYS 112 2HB LYS 112 -10.664 -12.017 21.941 758 1HG LYS 112 1HG LYS 112 -13.169 -12.460 20.829 759 2HG LYS 112 2HG LYS 112 -13.314 -13.173 22.435 760 1HD LYS 112 1HD LYS 112 -12.430 -11.066 23.421 761 2HD LYS 112 2HD LYS 112 -12.375 -10.357 21.806 762 1HE LYS 112 1HE LYS 112 -14.944 -11.546 22.857 763 2HE LYS 112 2HE LYS 112 -14.484 -9.881 23.262 764 1HZ LYS 112 1HZ LYS 112 -14.323 -10.885 20.484 765 2HZ LYS 112 2HZ LYS 112 -15.785 -10.275 21.097 766 3HZ LYS 112 3HZ LYS 112 -14.411 -9.278 21.027 767 H ILE 113 H ILE 113 -8.783 -12.668 19.394 768 HA ILE 113 HA ILE 113 -7.046 -14.631 20.722 769 HB ILE 113 HB ILE 113 -7.964 -15.972 18.929 770 1HG1 ILE 113 1HG1 ILE 113 -5.516 -15.334 17.485 771 2HG1 ILE 113 2HG1 ILE 113 -5.252 -15.393 19.228 772 1HG2 ILE 113 1HG2 ILE 113 -7.601 -13.434 17.420 773 2HG2 ILE 113 2HG2 ILE 113 -7.311 -14.925 16.525 774 3HG2 ILE 113 3HG2 ILE 113 -8.875 -14.646 17.290 775 1HD1 ILE 113 1HD1 ILE 113 -6.702 -17.599 19.051 776 2HD1 ILE 113 2HD1 ILE 113 -6.150 -17.566 17.375 777 3HD1 ILE 113 3HD1 ILE 113 -4.975 -17.628 18.689 778 H VAL 114 H VAL 114 -4.802 -14.077 20.480 779 HA VAL 114 HA VAL 114 -4.358 -11.278 19.609 780 HB VAL 114 HB VAL 114 -3.405 -13.085 21.628 781 1HG1 VAL 114 1HG1 VAL 114 -1.247 -11.977 19.812 782 2HG1 VAL 114 2HG1 VAL 114 -0.949 -12.537 21.457 783 3HG1 VAL 114 3HG1 VAL 114 -1.520 -13.668 20.229 784 1HG2 VAL 114 1HG2 VAL 114 -4.070 -10.562 21.612 785 2HG2 VAL 114 2HG2 VAL 114 -2.795 -11.098 22.707 786 3HG2 VAL 114 3HG2 VAL 114 -2.378 -10.293 21.194 787 H TYR 115 H TYR 115 -3.442 -10.850 17.629 788 HA TYR 115 HA TYR 115 -2.502 -13.127 16.001 789 1HB TYR 115 1HB TYR 115 -3.213 -11.836 14.261 790 2HB TYR 115 2HB TYR 115 -4.040 -10.929 15.520 791 HD1 TYR 115 HD1 TYR 115 -2.483 -9.086 16.715 792 HD2 TYR 115 HD2 TYR 115 -1.910 -10.651 12.758 793 HE1 TYR 115 HE1 TYR 115 -1.176 -7.071 16.110 794 HE2 TYR 115 HE2 TYR 115 -0.612 -8.628 12.149 795 HH TYR 115 HH TYR 115 0.826 -6.738 14.014 796 H ASN 116 H ASN 116 -0.452 -13.012 14.840 797 HA ASN 116 HA ASN 116 1.866 -12.683 14.676 798 1HB ASN 116 1HB ASN 116 1.144 -10.188 16.243 799 2HB ASN 116 2HB ASN 116 2.740 -10.515 15.588 800 2HD2 ASN 116 2HD2 ASN 116 2.092 -8.385 14.365 801 1HD2 ASN 116 1HD2 ASN 116 1.301 -8.594 12.879 802 H ALA 117 H ALA 117 1.113 -14.542 16.514 803 HA ALA 117 HA ALA 117 2.084 -14.018 19.200 804 1HB ALA 117 1HB ALA 117 1.716 -16.386 19.474 805 2HB ALA 117 2HB ALA 117 0.456 -15.804 18.386 806 3HB ALA 117 3HB ALA 117 1.854 -16.664 17.738 807 H LYS 118 H LYS 118 3.684 -14.301 16.260 808 HA LYS 118 HA LYS 118 5.933 -15.877 16.551 809 1HB LYS 118 1HB LYS 118 5.130 -13.429 15.200 810 2HB LYS 118 2HB LYS 118 6.852 -13.409 15.579 811 1HG LYS 118 1HG LYS 118 5.491 -15.766 14.264 812 2HG LYS 118 2HG LYS 118 6.238 -14.458 13.346 813 1HD LYS 118 1HD LYS 118 8.399 -14.962 14.167 814 2HD LYS 118 2HD LYS 118 7.761 -15.919 15.504 815 1HE LYS 118 1HE LYS 118 8.311 -17.670 14.100 816 2HE LYS 118 2HE LYS 118 6.727 -17.297 13.394 817 H HIS 119 H HIS 119 5.236 -12.848 18.217 818 HA HIS 119 HA HIS 119 7.916 -12.587 19.356 819 1HB HIS 119 1HB HIS 119 5.288 -11.266 20.091 820 2HB HIS 119 2HB HIS 119 6.905 -10.656 20.441 821 HD1 HIS 119 HD1 HIS 119 8.247 -9.624 18.484 822 HD2 HIS 119 HD2 HIS 119 4.464 -10.978 17.357 823 HE1 HIS 119 HE1 HIS 119 7.817 -8.704 16.165 824 H LEU 120 H LEU 120 5.424 -14.707 20.019 825 HA LEU 120 HA LEU 120 4.970 -14.746 22.763 826 1HB LEU 120 1HB LEU 120 4.215 -16.332 20.887 827 2HB LEU 120 2HB LEU 120 5.734 -17.191 21.149 828 HG LEU 120 HG LEU 120 5.141 -17.561 23.504 829 1HD1 LEU 120 1HD1 LEU 120 2.704 -15.938 22.738 830 2HD1 LEU 120 2HD1 LEU 120 2.746 -16.967 24.170 831 3HD1 LEU 120 3HD1 LEU 120 3.862 -15.609 24.027 832 1HD2 LEU 120 1HD2 LEU 120 3.158 -18.361 21.380 833 2HD2 LEU 120 2HD2 LEU 120 4.400 -19.345 22.156 834 3HD2 LEU 120 3HD2 LEU 120 2.949 -18.890 23.050 835 H ASP 121 H ASP 121 6.134 -15.535 24.585 836 HA ASP 121 HA ASP 121 8.933 -15.116 24.692 837 1HB ASP 121 1HB ASP 121 8.719 -16.164 26.895 838 2HB ASP 121 2HB ASP 121 7.294 -15.172 26.585 839 H TYR 122 H TYR 122 7.082 -18.091 24.093 840 HA TYR 122 HA TYR 122 9.328 -19.897 24.201 841 1HB TYR 122 1HB TYR 122 6.726 -20.237 24.271 842 2HB TYR 122 2HB TYR 122 6.867 -20.297 22.513 843 HD1 TYR 122 HD1 TYR 122 8.365 -22.007 21.441 844 HD2 TYR 122 HD2 TYR 122 7.457 -22.058 25.640 845 HE1 TYR 122 HE1 TYR 122 9.136 -24.360 21.580 846 HE2 TYR 122 HE2 TYR 122 8.229 -24.411 25.778 847 HH TYR 122 HH TYR 122 9.981 -25.862 24.261 848 H LEU 123 H LEU 123 8.463 -17.501 21.941 849 HA LEU 123 HA LEU 123 10.031 -18.861 19.773 850 1HB LEU 123 1HB LEU 123 7.600 -17.158 19.902 851 2HB LEU 123 2HB LEU 123 8.693 -16.829 18.557 852 HG LEU 123 HG LEU 123 8.660 -19.513 18.414 853 1HD1 LEU 123 1HD1 LEU 123 6.531 -18.833 20.237 854 2HD1 LEU 123 2HD1 LEU 123 5.851 -19.539 18.771 855 3HD1 LEU 123 3HD1 LEU 123 7.055 -20.429 19.701 856 1HD2 LEU 123 1HD2 LEU 123 6.929 -17.383 17.234 857 2HD2 LEU 123 2HD2 LEU 123 8.092 -18.447 16.444 858 3HD2 LEU 123 3HD2 LEU 123 6.504 -19.063 16.901 859 H GLN 124 H GLN 124 9.607 -15.893 21.652 860 HA GLN 124 HA GLN 124 11.207 -14.041 20.346 861 1HB GLN 124 1HB GLN 124 10.034 -14.346 22.814 862 2HB GLN 124 2HB GLN 124 11.748 -14.323 23.234 863 1HG GLN 124 1HG GLN 124 12.054 -12.163 22.424 864 2HG GLN 124 2HG GLN 124 10.693 -12.278 21.309 865 2HE2 GLN 124 2HE2 GLN 124 8.613 -13.090 22.997 866 1HE2 GLN 124 1HE2 GLN 124 8.342 -11.912 24.188 867 H ASN 125 H ASN 125 12.244 -16.952 22.030 868 HA ASN 125 HA ASN 125 15.025 -16.357 22.308 869 1HB ASN 125 1HB ASN 125 13.339 -18.352 23.023 870 2HB ASN 125 2HB ASN 125 14.156 -19.128 21.665 871 2HD2 ASN 125 2HD2 ASN 125 14.878 -17.336 24.707 872 1HD2 ASN 125 1HD2 ASN 125 16.350 -18.130 25.002 873 H ARG 126 H ARG 126 13.115 -17.073 19.506 874 HA ARG 126 HA ARG 126 15.519 -17.818 17.906 875 1HB ARG 126 1HB ARG 126 12.959 -18.773 18.004 876 2HB ARG 126 2HB ARG 126 12.837 -17.632 16.665 877 1HG ARG 126 1HG ARG 126 15.256 -18.948 16.212 878 2HG ARG 126 2HG ARG 126 14.174 -20.224 16.770 879 1HD ARG 126 1HD ARG 126 12.467 -19.357 15.083 880 2HD ARG 126 2HD ARG 126 13.767 -18.351 14.418 881 HE ARG 126 HE ARG 126 14.290 -21.261 14.771 882 1HH1 ARG 126 1HH1 ARG 126 15.075 -18.534 13.033 883 2HH1 ARG 126 2HH1 ARG 126 15.044 -19.286 11.474 884 1HH2 ARG 126 1HH2 ARG 126 13.661 -22.247 12.635 885 2HH2 ARG 126 2HH2 ARG 126 14.241 -21.386 11.248 886 H VAL 127 H VAL 127 14.843 -15.015 18.943 887 HA VAL 127 HA VAL 127 13.941 -13.360 16.794 888 HB VAL 127 HB VAL 127 14.109 -12.658 19.140 889 1HG1 VAL 127 1HG1 VAL 127 16.418 -14.018 19.243 890 2HG1 VAL 127 2HG1 VAL 127 17.077 -12.406 18.962 891 3HG1 VAL 127 3HG1 VAL 127 16.058 -12.710 20.370 892 1HG2 VAL 127 1HG2 VAL 127 15.667 -11.192 17.039 893 2HG2 VAL 127 2HG2 VAL 127 14.151 -10.743 17.820 894 3HG2 VAL 127 3HG2 VAL 127 15.676 -10.571 18.689 895 H ILE 128 H ILE 128 17.143 -14.650 17.607 896 HA ILE 128 HA ILE 128 18.105 -13.783 14.917 897 HB ILE 128 HB ILE 128 18.740 -12.082 16.597 898 1HG1 ILE 128 1HG1 ILE 128 21.309 -13.523 16.166 899 2HG1 ILE 128 2HG1 ILE 128 20.353 -13.163 14.727 900 1HG2 ILE 128 1HG2 ILE 128 19.765 -14.530 18.017 901 2HG2 ILE 128 2HG2 ILE 128 20.507 -12.957 18.313 902 3HG2 ILE 128 3HG2 ILE 128 18.795 -13.204 18.657 903 1HD1 ILE 128 1HD1 ILE 128 20.575 -10.936 16.658 904 2HD1 ILE 128 2HD1 ILE 128 22.091 -11.400 15.886 905 3HD1 ILE 128 3HD1 ILE 128 20.711 -10.918 14.900 No H/Q in entry = 905 Start of MODEL 20 1 H2 PRO 1 H2 PRO 1 -19.878 -13.843 14.194 2 H3 PRO 1 H3 PRO 1 -20.269 -15.499 14.219 3 HA PRO 1 HA PRO 1 -18.267 -15.924 13.379 4 1HB PRO 1 1HB PRO 1 -18.245 -14.834 10.869 5 2HB PRO 1 2HB PRO 1 -19.215 -16.258 11.295 6 1HG PRO 1 1HG PRO 1 -20.038 -13.408 11.018 7 2HG PRO 1 2HG PRO 1 -20.895 -14.879 10.538 8 1HD PRO 1 1HD PRO 1 -21.474 -13.457 12.795 9 2HD PRO 1 2HD PRO 1 -21.770 -15.199 12.628 10 H THR 2 H THR 2 -17.934 -13.849 15.110 11 HA THR 2 HA THR 2 -16.132 -11.944 13.645 12 HB THR 2 HB THR 2 -17.285 -11.218 16.285 13 HG1 THR 2 HG1 THR 2 -19.288 -11.269 15.666 14 1HG2 THR 2 1HG2 THR 2 -16.212 -9.962 13.914 15 2HG2 THR 2 2HG2 THR 2 -17.801 -9.297 14.288 16 3HG2 THR 2 3HG2 THR 2 -16.520 -9.254 15.500 17 H VAL 3 H VAL 3 -14.074 -11.655 14.523 18 HA VAL 3 HA VAL 3 -13.444 -12.919 17.149 19 HB VAL 3 HB VAL 3 -13.104 -14.545 15.268 20 1HG1 VAL 3 1HG1 VAL 3 -12.363 -12.505 13.752 21 2HG1 VAL 3 2HG1 VAL 3 -10.762 -12.911 14.370 22 3HG1 VAL 3 3HG1 VAL 3 -11.695 -14.114 13.479 23 1HG2 VAL 3 1HG2 VAL 3 -11.090 -13.632 17.192 24 2HG2 VAL 3 2HG2 VAL 3 -11.614 -15.272 16.813 25 3HG2 VAL 3 3HG2 VAL 3 -10.387 -14.488 15.819 26 H GLU 4 H GLU 4 -12.442 -11.304 18.283 27 HA GLU 4 HA GLU 4 -11.196 -9.035 16.903 28 1HB GLU 4 1HB GLU 4 -10.816 -8.334 19.315 29 2HB GLU 4 2HB GLU 4 -12.498 -8.641 18.888 30 1HG GLU 4 1HG GLU 4 -11.274 -11.103 19.727 31 2HG GLU 4 2HG GLU 4 -10.980 -9.867 20.950 32 H TYR 5 H TYR 5 -9.188 -9.426 16.013 33 HA TYR 5 HA TYR 5 -7.265 -11.226 17.350 34 1HB TYR 5 1HB TYR 5 -5.935 -10.748 15.336 35 2HB TYR 5 2HB TYR 5 -7.598 -11.115 14.879 36 HD1 TYR 5 HD1 TYR 5 -5.167 -8.358 15.432 37 HD2 TYR 5 HD2 TYR 5 -8.994 -9.479 13.834 38 HE1 TYR 5 HE1 TYR 5 -5.347 -6.150 14.316 39 HE2 TYR 5 HE2 TYR 5 -9.175 -7.272 12.717 40 HH TYR 5 HH TYR 5 -8.182 -5.337 12.303 41 H LEU 6 H LEU 6 -5.493 -10.509 18.555 42 HA LEU 6 HA LEU 6 -5.115 -7.537 18.784 43 1HB LEU 6 1HB LEU 6 -6.061 -9.390 20.670 44 2HB LEU 6 2HB LEU 6 -4.392 -9.079 21.142 45 HG LEU 6 HG LEU 6 -6.537 -6.987 20.659 46 1HD1 LEU 6 1HD1 LEU 6 -6.252 -8.520 22.864 47 2HD1 LEU 6 2HD1 LEU 6 -5.078 -7.258 23.238 48 3HD1 LEU 6 3HD1 LEU 6 -6.762 -6.833 22.938 49 1HD2 LEU 6 1HD2 LEU 6 -3.569 -6.833 21.122 50 2HD2 LEU 6 2HD2 LEU 6 -4.565 -5.916 19.993 51 3HD2 LEU 6 3HD2 LEU 6 -4.616 -5.545 21.717 52 H ASN 7 H ASN 7 -2.934 -6.845 19.100 53 HA ASN 7 HA ASN 7 -0.883 -8.560 17.943 54 1HB ASN 7 1HB ASN 7 -0.967 -6.155 17.565 55 2HB ASN 7 2HB ASN 7 -0.858 -5.844 19.294 56 2HD2 ASN 7 2HD2 ASN 7 1.015 -8.393 17.684 57 1HD2 ASN 7 1HD2 ASN 7 2.527 -7.654 17.896 58 H TYR 8 H TYR 8 0.376 -9.981 19.071 59 HA TYR 8 HA TYR 8 0.196 -10.376 21.903 60 1HB TYR 8 1HB TYR 8 0.869 -12.164 20.461 61 2HB TYR 8 2HB TYR 8 2.148 -11.190 19.737 62 HD1 TYR 8 HD1 TYR 8 4.215 -10.689 20.989 63 HD2 TYR 8 HD2 TYR 8 1.150 -13.213 22.630 64 HE1 TYR 8 HE1 TYR 8 5.806 -11.501 22.710 65 HE2 TYR 8 HE2 TYR 8 2.741 -14.026 24.350 66 HH TYR 8 HH TYR 8 5.298 -12.617 25.302 67 H GLU 9 H GLU 9 2.531 -8.616 19.876 68 HA GLU 9 HA GLU 9 4.408 -7.995 21.960 69 1HB GLU 9 1HB GLU 9 3.692 -6.971 19.229 70 2HB GLU 9 2HB GLU 9 4.835 -6.053 20.210 71 1HG GLU 9 1HG GLU 9 5.205 -9.019 19.916 72 2HG GLU 9 2HG GLU 9 5.717 -7.952 18.608 73 H THR 10 H THR 10 1.328 -6.597 21.029 74 HA THR 10 HA THR 10 1.687 -4.034 22.335 75 HB THR 10 HB THR 10 -0.655 -5.699 21.391 76 HG1 THR 10 HG1 THR 10 0.750 -3.416 20.527 77 1HG2 THR 10 1HG2 THR 10 -0.682 -2.977 22.717 78 2HG2 THR 10 2HG2 THR 10 -2.031 -3.629 21.786 79 3HG2 THR 10 3HG2 THR 10 -1.508 -4.435 23.266 80 H LEU 11 H LEU 11 0.476 -7.203 23.359 81 HA LEU 11 HA LEU 11 -0.612 -6.380 25.892 82 1HB LEU 11 1HB LEU 11 -1.275 -8.471 25.010 83 2HB LEU 11 2HB LEU 11 0.384 -8.941 24.646 84 HG LEU 11 HG LEU 11 0.884 -9.160 27.026 85 1HD1 LEU 11 1HD1 LEU 11 -1.697 -7.733 27.245 86 2HD1 LEU 11 2HD1 LEU 11 -1.475 -9.043 28.404 87 3HD1 LEU 11 3HD1 LEU 11 -0.308 -7.722 28.333 88 1HD2 LEU 11 1HD2 LEU 11 -0.132 -11.094 25.856 89 2HD2 LEU 11 2HD2 LEU 11 -0.599 -11.051 27.556 90 3HD2 LEU 11 3HD2 LEU 11 -1.735 -10.518 26.316 91 H ASP 12 H ASP 12 2.587 -7.672 24.945 92 HA ASP 12 HA ASP 12 3.672 -7.582 27.639 93 1HB ASP 12 1HB ASP 12 4.428 -8.345 24.933 94 2HB ASP 12 2HB ASP 12 5.752 -7.517 25.754 95 H ASP 13 H ASP 13 4.123 -5.532 24.732 96 HA ASP 13 HA ASP 13 5.884 -3.613 25.805 97 1HB ASP 13 1HB ASP 13 4.825 -4.013 23.435 98 2HB ASP 13 2HB ASP 13 3.588 -2.888 23.996 99 H GLN 14 H GLN 14 2.305 -3.367 25.645 100 HA GLN 14 HA GLN 14 2.097 -1.005 27.241 101 1HB GLN 14 1HB GLN 14 0.277 -3.306 26.522 102 2HB GLN 14 2HB GLN 14 -0.290 -1.973 27.530 103 1HG GLN 14 1HG GLN 14 0.899 -0.589 25.514 104 2HG GLN 14 2HG GLN 14 0.353 -2.017 24.637 105 2HE2 GLN 14 2HE2 GLN 14 -0.683 0.953 24.931 106 1HE2 GLN 14 1HE2 GLN 14 -2.349 0.740 25.175 107 H GLY 15 H GLY 15 2.247 -4.438 28.089 108 1HA GLY 15 1HA GLY 15 2.830 -3.718 30.878 109 2HA GLY 15 2HA GLY 15 2.892 -5.342 30.193 110 H TRP 16 H TRP 16 0.172 -5.055 29.012 111 HA TRP 16 HA TRP 16 -1.604 -4.733 31.354 112 1HB TRP 16 1HB TRP 16 -1.925 -5.261 28.396 113 2HB TRP 16 2HB TRP 16 -3.301 -5.347 29.497 114 HD1 TRP 16 HD1 TRP 16 -1.121 -2.849 30.916 115 HE1 TRP 16 HE1 TRP 16 -1.834 -0.463 30.251 116 HE3 TRP 16 HE3 TRP 16 -4.304 -3.919 27.067 117 HZ2 TRP 16 HZ2 TRP 16 -3.531 0.823 28.340 118 HZ3 TRP 16 HZ3 TRP 16 -5.453 -2.096 25.843 119 HH2 TRP 16 HH2 TRP 16 -5.072 0.271 26.474 120 H ASP 17 H ASP 17 -3.426 -6.591 31.342 121 HA ASP 17 HA ASP 17 -1.952 -9.143 31.763 122 1HB ASP 17 1HB ASP 17 -4.735 -8.201 32.530 123 2HB ASP 17 2HB ASP 17 -3.982 -9.703 33.068 124 H MET 18 H MET 18 -3.685 -11.093 31.359 125 HA MET 18 HA MET 18 -4.052 -11.195 28.472 126 1HB MET 18 1HB MET 18 -4.064 -12.939 30.805 127 2HB MET 18 2HB MET 18 -5.370 -13.348 29.694 128 1HG MET 18 1HG MET 18 -3.023 -12.802 28.149 129 2HG MET 18 2HG MET 18 -2.588 -13.934 29.429 130 1HE MET 18 1HE MET 18 -4.865 -15.136 30.236 131 2HE MET 18 2HE MET 18 -5.775 -16.217 29.171 132 3HE MET 18 3HE MET 18 -4.110 -16.596 29.602 133 H ASP 19 H ASP 19 -6.236 -10.998 31.291 134 HA ASP 19 HA ASP 19 -8.402 -10.099 29.431 135 1HB ASP 19 1HB ASP 19 -9.916 -11.549 30.916 136 2HB ASP 19 2HB ASP 19 -8.833 -12.416 29.825 137 H ASP 20 H ASP 20 -6.526 -9.316 32.029 138 HA ASP 20 HA ASP 20 -8.560 -8.212 33.823 139 1HB ASP 20 1HB ASP 20 -5.944 -8.994 34.014 140 2HB ASP 20 2HB ASP 20 -5.767 -7.241 33.933 141 H ASP 21 H ASP 21 -6.117 -6.794 31.610 142 HA ASP 21 HA ASP 21 -7.210 -4.099 31.925 143 1HB ASP 21 1HB ASP 21 -5.058 -5.473 30.340 144 2HB ASP 21 2HB ASP 21 -5.528 -3.828 29.913 145 H ASP 22 H ASP 22 -8.395 -6.734 30.329 146 HA ASP 22 HA ASP 22 -9.757 -7.027 28.406 147 1HB ASP 22 1HB ASP 22 -10.486 -4.255 29.409 148 2HB ASP 22 2HB ASP 22 -11.497 -5.241 28.352 149 H LEU 23 H LEU 23 -7.282 -6.414 27.477 150 HA LEU 23 HA LEU 23 -6.709 -4.096 26.070 151 1HB LEU 23 1HB LEU 23 -6.413 -6.932 25.032 152 2HB LEU 23 2HB LEU 23 -5.394 -5.550 24.627 153 HG LEU 23 HG LEU 23 -5.338 -5.604 27.406 154 1HD1 LEU 23 1HD1 LEU 23 -6.175 -8.166 26.522 155 2HD1 LEU 23 2HD1 LEU 23 -4.482 -8.324 26.991 156 3HD1 LEU 23 3HD1 LEU 23 -5.663 -7.705 28.145 157 1HD2 LEU 23 1HD2 LEU 23 -3.561 -5.646 25.281 158 2HD2 LEU 23 2HD2 LEU 23 -3.111 -5.611 26.986 159 3HD2 LEU 23 3HD2 LEU 23 -3.196 -7.149 26.127 160 H PHE 24 H PHE 24 -8.706 -6.815 24.851 161 HA PHE 24 HA PHE 24 -9.370 -5.756 22.319 162 1HB PHE 24 1HB PHE 24 -10.832 -7.498 24.318 163 2HB PHE 24 2HB PHE 24 -11.467 -7.193 22.701 164 HD1 PHE 24 HD1 PHE 24 -9.563 -7.430 20.779 165 HD2 PHE 24 HD2 PHE 24 -9.561 -9.425 24.583 166 HE1 PHE 24 HE1 PHE 24 -8.065 -9.180 19.861 167 HE2 PHE 24 HE2 PHE 24 -8.062 -11.175 23.664 168 HZ PHE 24 HZ PHE 24 -7.314 -11.052 21.303 169 H GLU 25 H GLU 25 -10.394 -4.773 25.487 170 HA GLU 25 HA GLU 25 -12.613 -3.122 24.357 171 1HB GLU 25 1HB GLU 25 -12.396 -4.746 26.574 172 2HB GLU 25 2HB GLU 25 -12.111 -3.148 27.262 173 1HG GLU 25 1HG GLU 25 -14.228 -2.385 26.719 174 2HG GLU 25 2HG GLU 25 -14.376 -3.467 25.334 175 H LYS 26 H LYS 26 -9.756 -2.846 26.503 176 HA LYS 26 HA LYS 26 -9.865 0.039 26.673 177 1HB LYS 26 1HB LYS 26 -8.642 -1.959 28.021 178 2HB LYS 26 2HB LYS 26 -7.301 -1.439 26.999 179 1HG LYS 26 1HG LYS 26 -6.977 0.096 28.660 180 2HG LYS 26 2HG LYS 26 -8.257 0.973 27.823 181 1HD LYS 26 1HD LYS 26 -9.554 -0.911 29.485 182 2HD LYS 26 2HD LYS 26 -8.288 -0.178 30.471 183 1HE LYS 26 1HE LYS 26 -9.116 2.074 29.873 184 2HE LYS 26 2HE LYS 26 -10.383 1.342 28.870 185 1HZ LYS 26 1HZ LYS 26 -9.975 0.632 31.724 186 2HZ LYS 26 2HZ LYS 26 -11.030 1.872 31.241 187 3HZ LYS 26 3HZ LYS 26 -11.314 0.273 30.743 188 H ALA 27 H ALA 27 -8.310 -2.246 24.480 189 HA ALA 27 HA ALA 27 -6.491 -0.418 23.214 190 1HB ALA 27 1HB ALA 27 -7.918 -2.916 22.236 191 2HB ALA 27 2HB ALA 27 -6.533 -2.175 21.432 192 3HB ALA 27 3HB ALA 27 -6.352 -2.861 23.046 193 H ALA 28 H ALA 28 -9.921 -1.104 22.767 194 HA ALA 28 HA ALA 28 -10.203 0.260 20.224 195 1HB ALA 28 1HB ALA 28 -11.795 -1.149 22.214 196 2HB ALA 28 2HB ALA 28 -12.082 -0.978 20.482 197 3HB ALA 28 3HB ALA 28 -12.653 0.263 21.597 198 H ASP 29 H ASP 29 -9.965 1.308 23.519 199 HA ASP 29 HA ASP 29 -11.311 3.890 23.071 200 1HB ASP 29 1HB ASP 29 -10.886 2.268 25.215 201 2HB ASP 29 2HB ASP 29 -9.564 3.418 25.424 202 H ALA 30 H ALA 30 -8.164 2.569 22.632 203 HA ALA 30 HA ALA 30 -6.900 5.277 22.688 204 1HB ALA 30 1HB ALA 30 -5.438 3.987 23.870 205 2HB ALA 30 2HB ALA 30 -4.917 3.410 22.287 206 3HB ALA 30 3HB ALA 30 -6.100 2.490 23.215 207 H GLY 31 H GLY 31 -7.550 2.484 20.625 208 1HA GLY 31 1HA GLY 31 -7.184 4.149 18.238 209 2HA GLY 31 2HA GLY 31 -7.744 2.477 18.258 210 H LEU 32 H LEU 32 -5.828 0.992 19.284 211 HA LEU 32 HA LEU 32 -3.109 1.729 18.673 212 1HB LEU 32 1HB LEU 32 -4.659 -0.524 19.666 213 2HB LEU 32 2HB LEU 32 -3.375 -1.068 18.588 214 HG LEU 32 HG LEU 32 -2.037 0.795 20.060 215 1HD1 LEU 32 1HD1 LEU 32 -4.400 -0.114 21.615 216 2HD1 LEU 32 2HD1 LEU 32 -2.858 -0.128 22.470 217 3HD1 LEU 32 3HD1 LEU 32 -3.460 1.371 21.762 218 1HD2 LEU 32 1HD2 LEU 32 -2.482 -2.157 20.528 219 2HD2 LEU 32 2HD2 LEU 32 -1.129 -1.377 19.710 220 3HD2 LEU 32 3HD2 LEU 32 -1.303 -1.233 21.458 221 H ASP 33 H ASP 33 -1.919 0.018 17.064 222 HA ASP 33 HA ASP 33 -2.633 0.744 14.401 223 1HB ASP 33 1HB ASP 33 -0.877 -1.314 15.720 224 2HB ASP 33 2HB ASP 33 -1.065 -1.326 13.966 225 H GLY 34 H GLY 34 -4.178 -0.104 13.052 226 1HA GLY 34 1HA GLY 34 -5.761 -1.596 12.168 227 2HA GLY 34 2HA GLY 34 -6.123 -1.967 13.851 228 H GLU 35 H GLU 35 -3.071 -2.532 12.141 229 HA GLU 35 HA GLU 35 -3.433 -5.303 11.567 230 1HB GLU 35 1HB GLU 35 -1.409 -3.271 11.478 231 2HB GLU 35 2HB GLU 35 -0.706 -4.729 12.179 232 1HG GLU 35 1HG GLU 35 -1.395 -6.054 10.279 233 2HG GLU 35 2HG GLU 35 -2.332 -4.712 9.621 234 H ASP 36 H ASP 36 -2.826 -3.656 14.559 235 HA ASP 36 HA ASP 36 -1.821 -6.101 15.916 236 1HB ASP 36 1HB ASP 36 -2.317 -3.216 16.733 237 2HB ASP 36 2HB ASP 36 -1.677 -4.442 17.829 238 H TYR 37 H TYR 37 -4.540 -3.783 16.260 239 HA TYR 37 HA TYR 37 -6.099 -5.988 17.569 240 1HB TYR 37 1HB TYR 37 -5.555 -4.485 19.298 241 2HB TYR 37 2HB TYR 37 -5.692 -3.078 18.243 242 HD1 TYR 37 HD1 TYR 37 -7.924 -5.972 19.138 243 HD2 TYR 37 HD2 TYR 37 -7.496 -1.713 18.775 244 HE1 TYR 37 HE1 TYR 37 -10.287 -5.675 19.831 245 HE2 TYR 37 HE2 TYR 37 -9.860 -1.417 19.466 246 HH TYR 37 HH TYR 37 -12.073 -3.996 19.590 247 H GLY 38 H GLY 38 -8.202 -6.239 16.814 248 1HA GLY 38 1HA GLY 38 -8.916 -5.033 14.294 249 2HA GLY 38 2HA GLY 38 -9.854 -4.324 15.609 250 H THR 39 H THR 39 -11.816 -5.285 14.822 251 HA THR 39 HA THR 39 -12.253 -8.024 15.778 252 HB THR 39 HB THR 39 -14.243 -6.428 14.203 253 HG1 THR 39 HG1 THR 39 -14.565 -5.102 15.996 254 1HG2 THR 39 1HG2 THR 39 -14.692 -8.661 15.350 255 2HG2 THR 39 2HG2 THR 39 -14.496 -7.808 16.881 256 3HG2 THR 39 3HG2 THR 39 -15.790 -7.348 15.774 257 H MET 40 H MET 40 -11.762 -9.752 14.454 258 HA MET 40 HA MET 40 -11.585 -9.357 11.538 259 1HB MET 40 1HB MET 40 -10.531 -11.116 13.572 260 2HB MET 40 2HB MET 40 -11.222 -12.066 12.257 261 1HG MET 40 1HG MET 40 -9.897 -10.784 10.625 262 2HG MET 40 2HG MET 40 -9.219 -9.811 11.930 263 1HE MET 40 1HE MET 40 -9.310 -12.720 9.860 264 2HE MET 40 2HE MET 40 -8.127 -13.898 10.442 265 3HE MET 40 3HE MET 40 -9.731 -13.821 11.168 266 H GLU 41 H GLU 41 -13.261 -9.856 10.168 267 HA GLU 41 HA GLU 41 -15.597 -11.343 11.295 268 1HB GLU 41 1HB GLU 41 -15.782 -8.997 10.359 269 2HB GLU 41 2HB GLU 41 -15.368 -9.665 8.780 270 1HG GLU 41 1HG GLU 41 -17.644 -9.871 8.602 271 2HG GLU 41 2HG GLU 41 -17.348 -11.368 9.485 272 H VAL 42 H VAL 42 -15.268 -13.527 10.855 273 HA VAL 42 HA VAL 42 -14.983 -14.278 7.983 274 HB VAL 42 HB VAL 42 -12.730 -14.344 8.758 275 1HG1 VAL 42 1HG1 VAL 42 -13.989 -15.420 11.271 276 2HG1 VAL 42 2HG1 VAL 42 -12.288 -15.741 10.929 277 3HG1 VAL 42 3HG1 VAL 42 -12.858 -14.079 11.083 278 1HG2 VAL 42 1HG2 VAL 42 -13.822 -16.525 7.753 279 2HG2 VAL 42 2HG2 VAL 42 -12.182 -16.580 8.398 280 3HG2 VAL 42 3HG2 VAL 42 -13.529 -17.173 9.369 281 H ALA 43 H ALA 43 -16.534 -15.784 7.533 282 HA ALA 43 HA ALA 43 -18.134 -16.990 9.652 283 1HB ALA 43 1HB ALA 43 -18.255 -17.973 6.849 284 2HB ALA 43 2HB ALA 43 -19.558 -17.416 7.900 285 3HB ALA 43 3HB ALA 43 -18.529 -16.246 7.073 286 H GLU 44 H GLU 44 -18.215 -19.226 10.189 287 HA GLU 44 HA GLU 44 -15.834 -20.700 10.355 288 1HB GLU 44 1HB GLU 44 -17.968 -21.088 11.587 289 2HB GLU 44 2HB GLU 44 -18.684 -21.723 10.106 290 1HG GLU 44 1HG GLU 44 -16.526 -23.283 10.148 291 2HG GLU 44 2HG GLU 44 -16.591 -22.930 11.875 292 H GLY 45 H GLY 45 -14.596 -21.490 8.709 293 1HA GLY 45 1HA GLY 45 -15.973 -22.334 6.192 294 2HA GLY 45 2HA GLY 45 -14.698 -23.320 6.912 295 H GLU 46 H GLU 46 -14.235 -19.964 7.306 296 HA GLU 46 HA GLU 46 -12.503 -19.800 4.869 297 1HB GLU 46 1HB GLU 46 -14.125 -17.937 6.534 298 2HB GLU 46 2HB GLU 46 -12.639 -17.281 5.846 299 1HG GLU 46 1HG GLU 46 -13.722 -17.025 3.888 300 2HG GLU 46 2HG GLU 46 -13.860 -18.780 3.783 301 H TYR 47 H TYR 47 -10.304 -19.856 5.188 302 HA TYR 47 HA TYR 47 -9.059 -20.344 7.676 303 1HB TYR 47 1HB TYR 47 -8.114 -19.174 5.050 304 2HB TYR 47 2HB TYR 47 -7.000 -19.552 6.363 305 HD1 TYR 47 HD1 TYR 47 -8.207 -21.997 7.500 306 HD2 TYR 47 HD2 TYR 47 -7.697 -20.811 3.402 307 HE1 TYR 47 HE1 TYR 47 -8.213 -24.378 6.810 308 HE2 TYR 47 HE2 TYR 47 -7.700 -23.194 2.713 309 HH TYR 47 HH TYR 47 -8.310 -25.313 3.440 310 H ILE 48 H ILE 48 -8.949 -18.990 9.410 311 HA ILE 48 HA ILE 48 -9.684 -16.343 9.657 312 HB ILE 48 HB ILE 48 -7.432 -17.899 10.959 313 1HG1 ILE 48 1HG1 ILE 48 -10.260 -17.256 11.849 314 2HG1 ILE 48 2HG1 ILE 48 -9.724 -18.809 11.207 315 1HG2 ILE 48 1HG2 ILE 48 -7.231 -15.365 11.164 316 2HG2 ILE 48 2HG2 ILE 48 -8.764 -15.403 12.035 317 3HG2 ILE 48 3HG2 ILE 48 -7.358 -16.243 12.689 318 1HD1 ILE 48 1HD1 ILE 48 -8.463 -17.509 13.633 319 2HD1 ILE 48 2HD1 ILE 48 -9.801 -18.653 13.746 320 3HD1 ILE 48 3HD1 ILE 48 -8.256 -19.168 13.071 321 H LEU 49 H LEU 49 -6.198 -17.110 9.598 322 HA LEU 49 HA LEU 49 -5.136 -14.639 9.023 323 1HB LEU 49 1HB LEU 49 -3.716 -16.523 9.364 324 2HB LEU 49 2HB LEU 49 -4.441 -17.406 8.021 325 HG LEU 49 HG LEU 49 -3.188 -14.768 7.406 326 1HD1 LEU 49 1HD1 LEU 49 -1.711 -16.380 8.978 327 2HD1 LEU 49 2HD1 LEU 49 -1.378 -17.134 7.420 328 3HD1 LEU 49 3HD1 LEU 49 -1.001 -15.430 7.673 329 1HD2 LEU 49 1HD2 LEU 49 -4.303 -16.832 5.953 330 2HD2 LEU 49 2HD2 LEU 49 -3.222 -15.602 5.296 331 3HD2 LEU 49 3HD2 LEU 49 -2.576 -17.160 5.811 332 H GLU 50 H GLU 50 -6.864 -16.735 6.767 333 HA GLU 50 HA GLU 50 -6.161 -15.218 4.384 334 1HB GLU 50 1HB GLU 50 -6.961 -17.674 4.703 335 2HB GLU 50 2HB GLU 50 -8.582 -16.980 4.751 336 1HG GLU 50 1HG GLU 50 -8.068 -15.838 2.561 337 2HG GLU 50 2HG GLU 50 -6.563 -16.757 2.501 338 H ALA 51 H ALA 51 -8.967 -15.300 6.588 339 HA ALA 51 HA ALA 51 -10.664 -13.523 5.166 340 1HB ALA 51 1HB ALA 51 -10.670 -14.957 7.527 341 2HB ALA 51 2HB ALA 51 -10.685 -13.286 8.092 342 3HB ALA 51 3HB ALA 51 -11.951 -13.862 7.009 343 H ALA 52 H ALA 52 -8.464 -12.776 7.868 344 HA ALA 52 HA ALA 52 -8.754 -9.915 7.632 345 1HB ALA 52 1HB ALA 52 -7.697 -11.733 9.418 346 2HB ALA 52 2HB ALA 52 -6.249 -10.968 8.766 347 3HB ALA 52 3HB ALA 52 -7.497 -9.983 9.530 348 H GLU 53 H GLU 53 -6.660 -12.283 6.106 349 HA GLU 53 HA GLU 53 -4.544 -10.662 5.178 350 1HB GLU 53 1HB GLU 53 -4.455 -13.019 4.875 351 2HB GLU 53 2HB GLU 53 -6.033 -13.052 4.088 352 1HG GLU 53 1HG GLU 53 -5.007 -11.661 2.223 353 2HG GLU 53 2HG GLU 53 -3.438 -11.964 2.969 354 H ALA 54 H ALA 54 -7.505 -11.502 3.390 355 HA ALA 54 HA ALA 54 -7.114 -9.586 1.290 356 1HB ALA 54 1HB ALA 54 -8.702 -11.713 1.699 357 2HB ALA 54 2HB ALA 54 -9.123 -10.456 0.535 358 3HB ALA 54 3HB ALA 54 -9.846 -10.446 2.144 359 H GLN 55 H GLN 55 -7.978 -9.190 4.561 360 HA GLN 55 HA GLN 55 -9.634 -6.779 4.157 361 1HB GLN 55 1HB GLN 55 -9.300 -8.760 6.109 362 2HB GLN 55 2HB GLN 55 -8.620 -7.308 6.843 363 1HG GLN 55 1HG GLN 55 -10.882 -7.112 7.406 364 2HG GLN 55 2HG GLN 55 -10.795 -6.157 5.925 365 2HE2 GLN 55 2HE2 GLN 55 -12.794 -6.587 4.921 366 1HE2 GLN 55 1HE2 GLN 55 -13.372 -8.146 4.579 367 H GLY 56 H GLY 56 -6.290 -7.624 4.812 368 1HA GLY 56 1HA GLY 56 -5.672 -4.703 5.054 369 2HA GLY 56 2HA GLY 56 -4.642 -5.831 4.171 370 H TYR 57 H TYR 57 -5.272 -7.874 6.373 371 HA TYR 57 HA TYR 57 -3.611 -6.707 8.571 372 1HB TYR 57 1HB TYR 57 -5.458 -9.107 8.377 373 2HB TYR 57 2HB TYR 57 -4.576 -8.653 9.836 374 HD1 TYR 57 HD1 TYR 57 -4.792 -5.900 10.224 375 HD2 TYR 57 HD2 TYR 57 -7.689 -8.499 8.408 376 HE1 TYR 57 HE1 TYR 57 -6.594 -4.295 10.799 377 HE2 TYR 57 HE2 TYR 57 -9.489 -6.897 8.983 378 HH TYR 57 HH TYR 57 -9.647 -4.955 10.997 379 H ASP 58 H ASP 58 -1.631 -7.681 9.091 380 HA ASP 58 HA ASP 58 -0.661 -9.777 7.193 381 1HB ASP 58 1HB ASP 58 0.473 -7.534 7.444 382 2HB ASP 58 2HB ASP 58 0.863 -7.981 9.105 383 H TRP 59 H TRP 59 0.132 -11.743 7.976 384 HA TRP 59 HA TRP 59 0.177 -12.148 10.943 385 1HB TRP 59 1HB TRP 59 -1.081 -13.981 8.877 386 2HB TRP 59 2HB TRP 59 -1.094 -14.213 10.626 387 HD1 TRP 59 HD1 TRP 59 -2.282 -11.618 8.025 388 HE1 TRP 59 HE1 TRP 59 -4.433 -10.528 8.913 389 HE3 TRP 59 HE3 TRP 59 -2.621 -13.894 12.583 390 HZ2 TRP 59 HZ2 TRP 59 -6.088 -10.599 11.240 391 HZ3 TRP 59 HZ3 TRP 59 -4.497 -13.364 14.115 392 HH2 TRP 59 HH2 TRP 59 -6.230 -11.720 13.447 393 HA PRO 60 HA PRO 60 3.926 -14.254 10.016 394 1HB PRO 60 1HB PRO 60 4.091 -15.871 12.215 395 2HB PRO 60 2HB PRO 60 4.396 -14.126 12.281 396 1HG PRO 60 1HG PRO 60 1.968 -15.663 13.065 397 2HG PRO 60 2HG PRO 60 2.707 -14.255 13.838 398 1HD PRO 60 1HD PRO 60 0.490 -14.136 12.230 399 2HD PRO 60 2HD PRO 60 1.613 -12.781 12.470 400 H PHE 61 H PHE 61 4.314 -16.038 8.722 401 HA PHE 61 HA PHE 61 3.006 -18.609 9.214 402 1HB PHE 61 1HB PHE 61 1.598 -18.596 7.271 403 2HB PHE 61 2HB PHE 61 1.299 -17.068 8.098 404 HD1 PHE 61 HD1 PHE 61 3.314 -18.625 5.365 405 HD2 PHE 61 HD2 PHE 61 1.670 -15.010 7.000 406 HE1 PHE 61 HE1 PHE 61 3.997 -17.391 3.325 407 HE2 PHE 61 HE2 PHE 61 2.352 -13.776 4.960 408 HZ PHE 61 HZ PHE 61 3.516 -14.967 3.122 409 H SER 62 H SER 62 3.978 -20.282 7.954 410 HA SER 62 HA SER 62 6.103 -19.473 6.026 411 1HB SER 62 1HB SER 62 7.788 -20.182 7.393 412 2HB SER 62 2HB SER 62 6.603 -19.985 8.684 413 HG SER 62 HG SER 62 7.762 -22.131 8.300 414 H CYS 63 H CYS 63 4.847 -22.379 7.705 415 HA CYS 63 HA CYS 63 5.246 -24.055 5.375 416 1HB CYS 63 1HB CYS 63 4.730 -25.747 6.874 417 2HB CYS 63 2HB CYS 63 5.201 -24.472 7.992 418 H ARG 64 H ARG 64 2.387 -22.461 6.818 419 HA ARG 64 HA ARG 64 0.272 -21.997 5.861 420 1HB ARG 64 1HB ARG 64 2.277 -21.867 3.883 421 2HB ARG 64 2HB ARG 64 0.930 -22.729 3.141 422 1HG ARG 64 1HG ARG 64 -0.146 -20.770 2.882 423 2HG ARG 64 2HG ARG 64 -0.180 -20.580 4.636 424 1HD ARG 64 1HD ARG 64 1.104 -18.725 4.224 425 2HD ARG 64 2HD ARG 64 2.427 -19.891 4.036 426 HE ARG 64 HE ARG 64 1.804 -19.959 1.579 427 1HH1 ARG 64 1HH1 ARG 64 -0.752 -18.335 2.025 428 2HH1 ARG 64 2HH1 ARG 64 -0.268 -16.789 1.413 429 1HH2 ARG 64 1HH2 ARG 64 3.118 -17.535 1.460 430 2HH2 ARG 64 2HH2 ARG 64 1.923 -16.334 1.095 431 H ALA 65 H ALA 65 0.955 -24.830 6.653 432 HA ALA 65 HA ALA 65 -1.220 -26.174 5.133 433 1HB ALA 65 1HB ALA 65 0.750 -28.104 5.782 434 2HB ALA 65 2HB ALA 65 0.341 -27.497 4.177 435 3HB ALA 65 3HB ALA 65 1.618 -26.721 5.114 436 H GLY 66 H GLY 66 -0.125 -25.166 8.095 437 1HA GLY 66 1HA GLY 66 -1.963 -26.931 9.518 438 2HA GLY 66 2HA GLY 66 -1.010 -25.634 10.238 439 H ALA 67 H ALA 67 1.569 -26.548 9.318 440 HA ALA 67 HA ALA 67 1.830 -29.058 10.940 441 1HB ALA 67 1HB ALA 67 2.160 -29.729 8.717 442 2HB ALA 67 2HB ALA 67 2.960 -28.218 8.281 443 3HB ALA 67 3HB ALA 67 3.807 -29.414 9.262 444 H CYS 68 H CYS 68 2.483 -25.873 11.131 445 HA CYS 68 HA CYS 68 4.993 -26.378 12.658 446 1HB CYS 68 1HB CYS 68 6.227 -24.840 11.429 447 2HB CYS 68 2HB CYS 68 5.182 -25.486 10.169 448 H ALA 69 H ALA 69 5.536 -23.927 13.664 449 HA ALA 69 HA ALA 69 2.950 -23.032 14.908 450 1HB ALA 69 1HB ALA 69 5.601 -22.973 16.320 451 2HB ALA 69 2HB ALA 69 3.983 -23.134 17.002 452 3HB ALA 69 3HB ALA 69 4.731 -24.500 16.175 453 H ASN 70 H ASN 70 5.215 -21.990 12.811 454 HA ASN 70 HA ASN 70 6.244 -19.544 13.799 455 1HB ASN 70 1HB ASN 70 5.492 -20.703 11.138 456 2HB ASN 70 2HB ASN 70 5.941 -18.999 11.212 457 2HD2 ASN 70 2HD2 ASN 70 7.147 -22.189 12.408 458 1HD2 ASN 70 1HD2 ASN 70 8.788 -21.810 12.192 459 H CYS 71 H CYS 71 3.087 -20.266 12.313 460 HA CYS 71 HA CYS 71 2.212 -17.456 12.510 461 1HB CYS 71 1HB CYS 71 0.259 -18.308 11.369 462 2HB CYS 71 2HB CYS 71 1.658 -19.116 10.662 463 H ALA 72 H ALA 72 2.771 -19.547 14.844 464 HA ALA 72 HA ALA 72 0.580 -20.258 16.328 465 1HB ALA 72 1HB ALA 72 3.224 -19.009 17.032 466 2HB ALA 72 2HB ALA 72 2.711 -20.687 17.207 467 3HB ALA 72 3HB ALA 72 2.090 -19.457 18.307 468 H SER 73 H SER 73 -0.814 -19.257 17.824 469 HA SER 73 HA SER 73 -0.892 -16.261 17.870 470 1HB SER 73 1HB SER 73 -2.772 -18.220 16.757 471 2HB SER 73 2HB SER 73 -3.534 -17.119 17.905 472 HG SER 73 HG SER 73 -1.778 -16.029 16.045 473 H ILE 74 H ILE 74 -3.115 -16.017 19.512 474 HA ILE 74 HA ILE 74 -2.662 -17.779 21.864 475 HB ILE 74 HB ILE 74 -2.159 -14.814 21.654 476 1HG1 ILE 74 1HG1 ILE 74 -0.241 -16.292 21.374 477 2HG1 ILE 74 2HG1 ILE 74 -0.118 -15.484 22.938 478 1HG2 ILE 74 1HG2 ILE 74 -3.458 -16.223 23.838 479 2HG2 ILE 74 2HG2 ILE 74 -1.916 -15.540 24.354 480 3HG2 ILE 74 3HG2 ILE 74 -3.153 -14.495 23.655 481 1HD1 ILE 74 1HD1 ILE 74 -1.604 -17.737 23.537 482 2HD1 ILE 74 2HD1 ILE 74 -0.466 -18.337 22.331 483 3HD1 ILE 74 3HD1 ILE 74 0.131 -17.567 23.800 484 H VAL 75 H VAL 75 -4.897 -18.356 20.962 485 HA VAL 75 HA VAL 75 -7.138 -16.719 20.807 486 HB VAL 75 HB VAL 75 -7.058 -19.159 20.403 487 1HG1 VAL 75 1HG1 VAL 75 -5.785 -19.294 22.816 488 2HG1 VAL 75 2HG1 VAL 75 -7.407 -19.823 23.263 489 3HG1 VAL 75 3HG1 VAL 75 -6.514 -20.683 22.009 490 1HG2 VAL 75 1HG2 VAL 75 -9.146 -17.712 21.648 491 2HG2 VAL 75 2HG2 VAL 75 -9.292 -19.175 20.673 492 3HG2 VAL 75 3HG2 VAL 75 -9.113 -19.296 22.423 493 H LYS 76 H LYS 76 -7.563 -15.061 22.261 494 HA LYS 76 HA LYS 76 -6.960 -15.332 25.117 495 1HB LYS 76 1HB LYS 76 -6.789 -13.262 23.620 496 2HB LYS 76 2HB LYS 76 -8.550 -13.187 23.689 497 1HG LYS 76 1HG LYS 76 -7.467 -13.560 26.345 498 2HG LYS 76 2HG LYS 76 -6.726 -12.154 25.580 499 1HD LYS 76 1HD LYS 76 -8.601 -11.044 26.206 500 2HD LYS 76 2HD LYS 76 -9.384 -11.892 24.873 501 1HE LYS 76 1HE LYS 76 -10.497 -13.332 26.279 502 2HE LYS 76 2HE LYS 76 -9.152 -13.402 27.433 503 1HZ LYS 76 1HZ LYS 76 -10.490 -10.827 27.036 504 2HZ LYS 76 2HZ LYS 76 -11.326 -12.003 27.933 505 3HZ LYS 76 3HZ LYS 76 -9.795 -11.476 28.443 506 H GLU 77 H GLU 77 -9.566 -16.261 23.148 507 HA GLU 77 HA GLU 77 -11.167 -17.261 25.261 508 1HB GLU 77 1HB GLU 77 -11.266 -14.400 24.851 509 2HB GLU 77 2HB GLU 77 -12.854 -15.105 24.546 510 1HG GLU 77 1HG GLU 77 -11.987 -16.446 26.819 511 2HG GLU 77 2HG GLU 77 -11.412 -14.798 27.075 512 H GLY 78 H GLY 78 -13.125 -18.232 24.448 513 1HA GLY 78 1HA GLY 78 -13.759 -17.808 21.584 514 2HA GLY 78 2HA GLY 78 -14.752 -18.700 22.736 515 H GLU 79 H GLU 79 -13.410 -19.385 20.028 516 HA GLU 79 HA GLU 79 -11.455 -21.448 20.575 517 1HB GLU 79 1HB GLU 79 -13.269 -22.564 21.667 518 2HB GLU 79 2HB GLU 79 -14.393 -22.147 20.375 519 1HG GLU 79 1HG GLU 79 -13.471 -23.718 18.895 520 2HG GLU 79 2HG GLU 79 -11.944 -23.791 19.773 521 H ILE 80 H ILE 80 -10.564 -22.144 18.627 522 HA ILE 80 HA ILE 80 -11.864 -21.127 16.126 523 HB ILE 80 HB ILE 80 -9.003 -21.802 16.887 524 1HG1 ILE 80 1HG1 ILE 80 -9.307 -19.158 15.924 525 2HG1 ILE 80 2HG1 ILE 80 -10.637 -19.428 17.052 526 1HG2 ILE 80 1HG2 ILE 80 -9.874 -22.219 14.422 527 2HG2 ILE 80 2HG2 ILE 80 -9.773 -20.462 14.317 528 3HG2 ILE 80 3HG2 ILE 80 -8.332 -21.405 14.694 529 1HD1 ILE 80 1HD1 ILE 80 -8.834 -20.436 18.616 530 2HD1 ILE 80 2HD1 ILE 80 -7.669 -19.636 17.561 531 3HD1 ILE 80 3HD1 ILE 80 -8.869 -18.682 18.434 532 H ASP 81 H ASP 81 -12.104 -22.580 14.361 533 HA ASP 81 HA ASP 81 -12.249 -25.424 15.073 534 1HB ASP 81 1HB ASP 81 -13.873 -23.999 13.667 535 2HB ASP 81 2HB ASP 81 -12.684 -24.138 12.371 536 H MET 82 H MET 82 -10.340 -26.567 15.026 537 HA MET 82 HA MET 82 -8.295 -25.897 12.960 538 1HB MET 82 1HB MET 82 -6.901 -27.410 14.432 539 2HB MET 82 2HB MET 82 -7.545 -25.996 15.266 540 1HG MET 82 1HG MET 82 -9.013 -27.238 16.528 541 2HG MET 82 2HG MET 82 -9.235 -28.451 15.267 542 1HE MET 82 1HE MET 82 -9.424 -29.528 17.497 543 2HE MET 82 2HE MET 82 -8.163 -30.663 17.974 544 3HE MET 82 3HE MET 82 -8.277 -29.096 18.772 545 H ASP 83 H ASP 83 -7.061 -28.202 12.428 546 HA ASP 83 HA ASP 83 -9.222 -30.025 11.416 547 1HB ASP 83 1HB ASP 83 -6.783 -28.787 10.242 548 2HB ASP 83 2HB ASP 83 -7.135 -30.443 9.748 549 H MET 84 H MET 84 -8.528 -32.317 11.194 550 HA MET 84 HA MET 84 -7.262 -33.344 13.553 551 1HB MET 84 1HB MET 84 -7.913 -34.519 10.833 552 2HB MET 84 2HB MET 84 -7.382 -35.488 12.208 553 1HG MET 84 1HG MET 84 -9.509 -33.708 13.019 554 2HG MET 84 2HG MET 84 -10.018 -34.656 11.621 555 1HE MET 84 1HE MET 84 -11.755 -35.130 13.614 556 2HE MET 84 2HE MET 84 -11.658 -36.457 12.451 557 3HE MET 84 3HE MET 84 -11.725 -36.798 14.179 558 H GLN 85 H GLN 85 -5.091 -33.318 13.984 559 HA GLN 85 HA GLN 85 -3.151 -34.092 11.919 560 1HB GLN 85 1HB GLN 85 -3.859 -31.343 12.438 561 2HB GLN 85 2HB GLN 85 -2.175 -31.612 12.889 562 1HG GLN 85 1HG GLN 85 -1.526 -31.963 10.734 563 2HG GLN 85 2HG GLN 85 -2.987 -32.867 10.341 564 2HE2 GLN 85 2HE2 GLN 85 -1.589 -30.450 8.988 565 1HE2 GLN 85 1HE2 GLN 85 -2.844 -29.326 8.781 566 H GLN 86 H GLN 86 -0.854 -33.076 13.191 567 HA GLN 86 HA GLN 86 -1.028 -34.036 16.014 568 1HB GLN 86 1HB GLN 86 0.455 -35.193 13.680 569 2HB GLN 86 2HB GLN 86 1.210 -35.280 15.272 570 1HG GLN 86 1HG GLN 86 -1.658 -36.127 14.865 571 2HG GLN 86 2HG GLN 86 -0.330 -37.243 14.552 572 2HE2 GLN 86 2HE2 GLN 86 1.339 -37.342 16.478 573 1HE2 GLN 86 1HE2 GLN 86 0.674 -37.338 18.039 574 H ILE 87 H ILE 87 -0.519 -31.406 14.550 575 HA ILE 87 HA ILE 87 2.317 -30.828 15.132 576 HB ILE 87 HB ILE 87 1.267 -29.913 13.141 577 1HG1 ILE 87 1HG1 ILE 87 1.532 -27.444 13.605 578 2HG1 ILE 87 2HG1 ILE 87 1.710 -27.847 15.314 579 1HG2 ILE 87 1HG2 ILE 87 -0.850 -29.175 15.115 580 2HG2 ILE 87 2HG2 ILE 87 -0.600 -28.098 13.740 581 3HG2 ILE 87 3HG2 ILE 87 -1.016 -29.791 13.471 582 1HD1 ILE 87 1HD1 ILE 87 3.442 -29.023 13.121 583 2HD1 ILE 87 2HD1 ILE 87 3.898 -27.609 14.073 584 3HD1 ILE 87 3HD1 ILE 87 3.682 -29.172 14.862 585 H LEU 88 H LEU 88 -0.802 -30.465 16.664 586 HA LEU 88 HA LEU 88 0.480 -29.424 19.099 587 1HB LEU 88 1HB LEU 88 -0.753 -27.327 19.087 588 2HB LEU 88 2HB LEU 88 0.116 -27.462 17.559 589 HG LEU 88 HG LEU 88 -2.325 -28.755 17.098 590 1HD1 LEU 88 1HD1 LEU 88 -3.119 -27.687 19.228 591 2HD1 LEU 88 2HD1 LEU 88 -2.796 -26.111 18.505 592 3HD1 LEU 88 3HD1 LEU 88 -4.022 -27.168 17.805 593 1HD2 LEU 88 1HD2 LEU 88 -0.840 -27.104 15.719 594 2HD2 LEU 88 2HD2 LEU 88 -2.581 -27.121 15.435 595 3HD2 LEU 88 3HD2 LEU 88 -1.862 -25.856 16.433 596 H SER 89 H SER 89 -1.344 -29.007 20.797 597 HA SER 89 HA SER 89 -3.738 -30.721 20.295 598 1HB SER 89 1HB SER 89 -1.427 -31.506 21.677 599 2HB SER 89 2HB SER 89 -2.583 -31.094 22.945 600 HG SER 89 HG SER 89 -3.882 -32.659 22.310 601 H ASP 90 H ASP 90 -5.471 -30.291 21.867 602 HA ASP 90 HA ASP 90 -6.057 -27.618 22.397 603 1HB ASP 90 1HB ASP 90 -7.637 -29.492 22.559 604 2HB ASP 90 2HB ASP 90 -6.785 -30.114 23.972 605 H GLU 91 H GLU 91 -3.900 -29.734 24.180 606 HA GLU 91 HA GLU 91 -3.836 -28.454 26.702 607 1HB GLU 91 1HB GLU 91 -2.413 -30.410 25.254 608 2HB GLU 91 2HB GLU 91 -1.204 -29.218 25.730 609 1HG GLU 91 1HG GLU 91 -1.802 -29.427 28.053 610 2HG GLU 91 2HG GLU 91 -3.217 -30.402 27.658 611 H GLU 92 H GLU 92 -2.162 -27.658 23.673 612 HA GLU 92 HA GLU 92 -0.806 -25.331 24.835 613 1HB GLU 92 1HB GLU 92 -0.718 -26.963 22.482 614 2HB GLU 92 2HB GLU 92 -0.926 -25.286 21.975 615 1HG GLU 92 1HG GLU 92 1.380 -25.349 22.181 616 2HG GLU 92 2HG GLU 92 0.948 -24.870 23.823 617 H VAL 93 H VAL 93 -3.802 -26.016 23.152 618 HA VAL 93 HA VAL 93 -4.359 -23.210 22.517 619 HB VAL 93 HB VAL 93 -6.162 -24.073 21.348 620 1HG1 VAL 93 1HG1 VAL 93 -4.082 -25.359 20.735 621 2HG1 VAL 93 2HG1 VAL 93 -4.683 -26.671 21.741 622 3HG1 VAL 93 3HG1 VAL 93 -5.601 -26.155 20.330 623 1HG2 VAL 93 1HG2 VAL 93 -6.487 -25.931 23.665 624 2HG2 VAL 93 2HG2 VAL 93 -7.633 -24.778 22.994 625 3HG2 VAL 93 3HG2 VAL 93 -7.289 -26.278 22.137 626 H GLU 94 H GLU 94 -4.794 -25.338 25.220 627 HA GLU 94 HA GLU 94 -6.791 -23.494 26.462 628 1HB GLU 94 1HB GLU 94 -6.441 -26.281 26.327 629 2HB GLU 94 2HB GLU 94 -6.027 -25.847 27.985 630 1HG GLU 94 1HG GLU 94 -8.470 -24.612 26.786 631 2HG GLU 94 2HG GLU 94 -8.554 -26.307 27.268 632 H GLU 95 H GLU 95 -3.646 -25.063 27.126 633 HA GLU 95 HA GLU 95 -3.235 -23.406 29.534 634 1HB GLU 95 1HB GLU 95 -1.383 -25.341 28.108 635 2HB GLU 95 2HB GLU 95 -1.268 -24.805 29.785 636 1HG GLU 95 1HG GLU 95 -3.722 -25.765 29.940 637 2HG GLU 95 2HG GLU 95 -3.227 -26.700 28.528 638 H LYS 96 H LYS 96 -2.442 -23.335 26.156 639 HA LYS 96 HA LYS 96 -0.566 -21.046 26.660 640 1HB LYS 96 1HB LYS 96 -0.363 -23.527 25.126 641 2HB LYS 96 2HB LYS 96 -0.013 -22.108 24.139 642 1HG LYS 96 1HG LYS 96 1.478 -21.356 26.123 643 2HG LYS 96 2HG LYS 96 1.363 -23.030 26.662 644 1HD LYS 96 1HD LYS 96 2.429 -23.849 24.710 645 2HD LYS 96 2HD LYS 96 2.174 -22.338 23.836 646 1HE LYS 96 1HE LYS 96 3.896 -22.501 26.329 647 2HE LYS 96 2HE LYS 96 4.552 -22.688 24.692 648 1HZ LYS 96 1HZ LYS 96 3.016 -20.558 24.346 649 2HZ LYS 96 2HZ LYS 96 3.405 -20.333 25.983 650 3HZ LYS 96 3HZ LYS 96 4.641 -20.435 24.824 651 H ASP 97 H ASP 97 -3.518 -22.046 25.311 652 HA ASP 97 HA ASP 97 -5.081 -20.932 23.926 653 1HB ASP 97 1HB ASP 97 -3.336 -18.907 25.214 654 2HB ASP 97 2HB ASP 97 -4.283 -18.332 23.840 655 H VAL 98 H VAL 98 -2.297 -21.893 22.848 656 HA VAL 98 HA VAL 98 -1.802 -20.089 20.596 657 HB VAL 98 HB VAL 98 -0.796 -22.782 21.528 658 1HG1 VAL 98 1HG1 VAL 98 -0.450 -21.437 18.879 659 2HG1 VAL 98 2HG1 VAL 98 0.954 -22.230 19.591 660 3HG1 VAL 98 3HG1 VAL 98 -0.510 -23.157 19.262 661 1HG2 VAL 98 1HG2 VAL 98 -0.062 -20.623 22.622 662 2HG2 VAL 98 2HG2 VAL 98 1.253 -21.570 21.926 663 3HG2 VAL 98 3HG2 VAL 98 0.640 -20.153 21.073 664 H ARG 99 H ARG 99 -2.151 -20.653 18.366 665 HA ARG 99 HA ARG 99 -3.680 -23.038 17.636 666 1HB ARG 99 1HB ARG 99 -5.308 -21.462 18.770 667 2HB ARG 99 2HB ARG 99 -5.005 -20.315 17.465 668 1HG ARG 99 1HG ARG 99 -7.003 -21.625 16.945 669 2HG ARG 99 2HG ARG 99 -5.713 -22.055 15.822 670 1HD ARG 99 1HD ARG 99 -5.729 -24.209 16.542 671 2HD ARG 99 2HD ARG 99 -5.614 -23.697 18.236 672 HE ARG 99 HE ARG 99 -8.175 -23.871 16.688 673 1HH1 ARG 99 1HH1 ARG 99 -6.928 -22.516 19.474 674 2HH1 ARG 99 2HH1 ARG 99 -8.037 -23.279 20.564 675 1HH2 ARG 99 1HH2 ARG 99 -9.379 -25.374 18.148 676 2HH2 ARG 99 2HH2 ARG 99 -9.425 -24.898 19.811 677 H LEU 100 H LEU 100 -4.068 -23.081 15.268 678 HA LEU 100 HA LEU 100 -2.054 -21.429 13.814 679 1HB LEU 100 1HB LEU 100 -3.586 -23.941 13.064 680 2HB LEU 100 2HB LEU 100 -2.271 -23.225 12.132 681 HG LEU 100 HG LEU 100 -2.100 -24.381 14.930 682 1HD1 LEU 100 1HD1 LEU 100 -2.072 -25.815 12.722 683 2HD1 LEU 100 2HD1 LEU 100 -0.435 -25.176 12.558 684 3HD1 LEU 100 3HD1 LEU 100 -0.874 -26.127 13.978 685 1HD2 LEU 100 1HD2 LEU 100 -0.010 -22.945 13.264 686 2HD2 LEU 100 2HD2 LEU 100 -0.721 -22.359 14.768 687 3HD2 LEU 100 3HD2 LEU 100 0.311 -23.790 14.779 688 H THR 101 H THR 101 -3.002 -19.563 13.029 689 HA THR 101 HA THR 101 -5.828 -19.488 12.240 690 HB THR 101 HB THR 101 -5.304 -17.125 11.831 691 HG1 THR 101 HG1 THR 101 -2.649 -17.472 12.546 692 1HG2 THR 101 1HG2 THR 101 -4.847 -18.520 14.276 693 2HG2 THR 101 2HG2 THR 101 -3.660 -17.220 14.168 694 3HG2 THR 101 3HG2 THR 101 -5.381 -16.855 14.058 695 H CYS 102 H CYS 102 -2.751 -20.000 10.673 696 HA CYS 102 HA CYS 102 -3.429 -19.199 8.007 697 1HB CYS 102 1HB CYS 102 -1.480 -20.548 7.423 698 2HB CYS 102 2HB CYS 102 -1.157 -19.710 8.940 699 H ILE 103 H ILE 103 -4.075 -22.145 9.844 700 HA ILE 103 HA ILE 103 -5.697 -23.140 7.526 701 HB ILE 103 HB ILE 103 -4.888 -25.404 8.128 702 1HG1 ILE 103 1HG1 ILE 103 -2.666 -24.867 9.748 703 2HG1 ILE 103 2HG1 ILE 103 -3.985 -23.952 10.479 704 1HG2 ILE 103 1HG2 ILE 103 -3.025 -23.190 7.398 705 2HG2 ILE 103 2HG2 ILE 103 -2.312 -24.761 7.763 706 3HG2 ILE 103 3HG2 ILE 103 -3.499 -24.610 6.467 707 1HD1 ILE 103 1HD1 ILE 103 -4.594 -26.737 9.605 708 2HD1 ILE 103 2HD1 ILE 103 -3.572 -26.551 11.030 709 3HD1 ILE 103 3HD1 ILE 103 -5.187 -25.843 11.005 710 H GLY 104 H GLY 104 -6.240 -21.713 10.231 711 1HA GLY 104 1HA GLY 104 -7.366 -22.600 12.318 712 2HA GLY 104 2HA GLY 104 -8.195 -23.737 11.253 713 H SER 105 H SER 105 -10.303 -22.985 11.636 714 HA SER 105 HA SER 105 -10.868 -20.209 10.647 715 1HB SER 105 1HB SER 105 -11.771 -22.785 9.863 716 2HB SER 105 2HB SER 105 -13.139 -21.984 10.636 717 HG SER 105 HG SER 105 -12.755 -21.594 8.300 718 HA PRO 106 HA PRO 106 -12.919 -19.286 14.416 719 1HB PRO 106 1HB PRO 106 -15.263 -18.116 13.622 720 2HB PRO 106 2HB PRO 106 -13.683 -17.326 13.460 721 1HG PRO 106 1HG PRO 106 -15.332 -18.718 11.411 722 2HG PRO 106 2HG PRO 106 -14.327 -17.272 11.256 723 1HD PRO 106 1HD PRO 106 -13.575 -19.773 10.410 724 2HD PRO 106 2HD PRO 106 -12.435 -18.484 10.850 725 H ALA 107 H ALA 107 -13.843 -20.791 15.772 726 HA ALA 107 HA ALA 107 -15.925 -22.630 14.697 727 1HB ALA 107 1HB ALA 107 -15.215 -23.311 17.330 728 2HB ALA 107 2HB ALA 107 -13.729 -22.705 16.599 729 3HB ALA 107 3HB ALA 107 -14.596 -24.048 15.852 730 H ALA 108 H ALA 108 -15.519 -19.969 16.927 731 HA ALA 108 HA ALA 108 -18.330 -20.385 17.901 732 1HB ALA 108 1HB ALA 108 -16.799 -20.565 19.721 733 2HB ALA 108 2HB ALA 108 -17.438 -18.925 19.828 734 3HB ALA 108 3HB ALA 108 -15.837 -19.205 19.143 735 H ASP 109 H ASP 109 -19.306 -18.146 18.575 736 HA ASP 109 HA ASP 109 -19.419 -16.457 16.241 737 1HB ASP 109 1HB ASP 109 -20.597 -16.687 18.931 738 2HB ASP 109 2HB ASP 109 -20.505 -15.029 18.338 739 H GLU 110 H GLU 110 -18.855 -15.045 19.431 740 HA GLU 110 HA GLU 110 -16.827 -13.239 18.256 741 1HB GLU 110 1HB GLU 110 -18.628 -13.373 20.610 742 2HB GLU 110 2HB GLU 110 -17.099 -12.534 20.873 743 1HG GLU 110 1HG GLU 110 -18.749 -11.938 18.428 744 2HG GLU 110 2HG GLU 110 -19.141 -11.174 19.969 745 H VAL 111 H VAL 111 -14.893 -14.429 18.080 746 HA VAL 111 HA VAL 111 -13.914 -15.829 20.535 747 HB VAL 111 HB VAL 111 -13.156 -15.966 17.601 748 1HG1 VAL 111 1HG1 VAL 111 -11.381 -16.390 19.549 749 2HG1 VAL 111 2HG1 VAL 111 -12.202 -17.949 19.623 750 3HG1 VAL 111 3HG1 VAL 111 -11.440 -17.424 18.121 751 1HG2 VAL 111 1HG2 VAL 111 -14.969 -17.476 19.396 752 2HG2 VAL 111 2HG2 VAL 111 -15.045 -17.252 17.648 753 3HG2 VAL 111 3HG2 VAL 111 -13.955 -18.455 18.337 754 H LYS 112 H LYS 112 -11.836 -15.313 21.355 755 HA LYS 112 HA LYS 112 -10.673 -12.744 20.337 756 1HB LYS 112 1HB LYS 112 -10.441 -13.993 23.089 757 2HB LYS 112 2HB LYS 112 -10.062 -12.332 22.635 758 1HG LYS 112 1HG LYS 112 -12.519 -12.132 21.925 759 2HG LYS 112 2HG LYS 112 -12.781 -13.650 22.781 760 1HD LYS 112 1HD LYS 112 -11.759 -12.584 24.824 761 2HD LYS 112 2HD LYS 112 -11.741 -11.054 23.948 762 1HE LYS 112 1HE LYS 112 -14.356 -12.267 23.708 763 2HE LYS 112 2HE LYS 112 -13.905 -12.137 25.418 764 1HZ LYS 112 1HZ LYS 112 -13.574 -9.950 23.429 765 2HZ LYS 112 2HZ LYS 112 -14.898 -10.068 24.487 766 3HZ LYS 112 3HZ LYS 112 -13.331 -9.847 25.106 767 H ILE 113 H ILE 113 -8.520 -12.775 19.724 768 HA ILE 113 HA ILE 113 -6.724 -14.930 20.632 769 HB ILE 113 HB ILE 113 -8.000 -15.960 18.805 770 1HG1 ILE 113 1HG1 ILE 113 -5.476 -15.353 17.381 771 2HG1 ILE 113 2HG1 ILE 113 -5.286 -15.929 19.037 772 1HG2 ILE 113 1HG2 ILE 113 -7.602 -13.310 17.641 773 2HG2 ILE 113 2HG2 ILE 113 -7.184 -14.601 16.515 774 3HG2 ILE 113 3HG2 ILE 113 -8.795 -14.543 17.232 775 1HD1 ILE 113 1HD1 ILE 113 -7.062 -17.734 18.289 776 2HD1 ILE 113 2HD1 ILE 113 -6.496 -17.324 16.670 777 3HD1 ILE 113 3HD1 ILE 113 -5.362 -17.945 17.870 778 H VAL 114 H VAL 114 -4.565 -14.325 20.439 779 HA VAL 114 HA VAL 114 -4.074 -11.545 19.498 780 HB VAL 114 HB VAL 114 -3.231 -13.245 21.662 781 1HG1 VAL 114 1HG1 VAL 114 -0.961 -12.145 19.976 782 2HG1 VAL 114 2HG1 VAL 114 -0.791 -12.758 21.621 783 3HG1 VAL 114 3HG1 VAL 114 -1.273 -13.845 20.319 784 1HG2 VAL 114 1HG2 VAL 114 -2.897 -10.372 20.841 785 2HG2 VAL 114 2HG2 VAL 114 -3.844 -11.044 22.168 786 3HG2 VAL 114 3HG2 VAL 114 -2.085 -10.979 22.283 787 H TYR 115 H TYR 115 -2.979 -11.201 17.595 788 HA TYR 115 HA TYR 115 -1.951 -13.561 16.130 789 1HB TYR 115 1HB TYR 115 -2.455 -12.320 14.260 790 2HB TYR 115 2HB TYR 115 -3.484 -11.460 15.401 791 HD1 TYR 115 HD1 TYR 115 -2.003 -9.612 16.847 792 HD2 TYR 115 HD2 TYR 115 -1.230 -10.968 12.841 793 HE1 TYR 115 HE1 TYR 115 -0.744 -7.536 16.389 794 HE2 TYR 115 HE2 TYR 115 0.030 -8.882 12.385 795 HH TYR 115 HH TYR 115 0.842 -6.631 14.920 796 H ASN 116 H ASN 116 0.201 -13.359 15.031 797 HA ASN 116 HA ASN 116 2.512 -12.833 15.015 798 1HB ASN 116 1HB ASN 116 1.132 -10.493 15.891 799 2HB ASN 116 2HB ASN 116 2.550 -10.680 16.912 800 2HD2 ASN 116 2HD2 ASN 116 2.158 -8.639 14.790 801 1HD2 ASN 116 1HD2 ASN 116 3.398 -8.887 13.658 802 H ALA 117 H ALA 117 1.663 -14.877 16.718 803 HA ALA 117 HA ALA 117 2.557 -14.449 19.460 804 1HB ALA 117 1HB ALA 117 1.838 -16.655 19.741 805 2HB ALA 117 2HB ALA 117 0.888 -16.163 18.341 806 3HB ALA 117 3HB ALA 117 2.346 -17.129 18.119 807 H LYS 118 H LYS 118 4.124 -15.186 16.469 808 HA LYS 118 HA LYS 118 6.328 -16.761 17.201 809 1HB LYS 118 1HB LYS 118 7.469 -15.319 15.385 810 2HB LYS 118 2HB LYS 118 5.981 -16.147 14.926 811 1HG LYS 118 1HG LYS 118 4.969 -14.182 14.494 812 2HG LYS 118 2HG LYS 118 5.349 -13.592 16.112 813 1HD LYS 118 1HD LYS 118 6.383 -12.115 14.475 814 2HD LYS 118 2HD LYS 118 7.650 -13.018 15.307 815 1HE LYS 118 1HE LYS 118 7.978 -14.472 13.442 816 2HE LYS 118 2HE LYS 118 6.458 -13.963 12.684 817 H HIS 119 H HIS 119 5.546 -13.521 18.178 818 HA HIS 119 HA HIS 119 8.217 -12.640 18.870 819 1HB HIS 119 1HB HIS 119 5.431 -11.833 19.764 820 2HB HIS 119 2HB HIS 119 6.891 -10.913 20.127 821 HD1 HIS 119 HD1 HIS 119 8.395 -10.860 17.557 822 HD2 HIS 119 HD2 HIS 119 4.238 -10.522 17.639 823 HE1 HIS 119 HE1 HIS 119 7.723 -9.746 15.384 824 H LEU 120 H LEU 120 5.923 -14.765 20.381 825 HA LEU 120 HA LEU 120 6.321 -14.538 23.110 826 1HB LEU 120 1HB LEU 120 5.146 -16.315 21.513 827 2HB LEU 120 2HB LEU 120 6.617 -17.234 21.833 828 HG LEU 120 HG LEU 120 5.961 -16.338 24.346 829 1HD1 LEU 120 1HD1 LEU 120 3.551 -16.306 22.665 830 2HD1 LEU 120 2HD1 LEU 120 3.386 -17.307 24.108 831 3HD1 LEU 120 3HD1 LEU 120 3.816 -15.604 24.261 832 1HD2 LEU 120 1HD2 LEU 120 6.512 -18.689 23.322 833 2HD2 LEU 120 2HD2 LEU 120 5.582 -18.600 24.818 834 3HD2 LEU 120 3HD2 LEU 120 4.759 -18.882 23.286 835 H ASP 121 H ASP 121 8.183 -14.339 24.287 836 HA ASP 121 HA ASP 121 10.810 -14.846 23.247 837 1HB ASP 121 1HB ASP 121 10.389 -13.236 25.002 838 2HB ASP 121 2HB ASP 121 9.677 -14.474 26.035 839 H TYR 122 H TYR 122 8.501 -16.858 24.971 840 HA TYR 122 HA TYR 122 10.380 -18.892 25.829 841 1HB TYR 122 1HB TYR 122 8.168 -18.511 26.842 842 2HB TYR 122 2HB TYR 122 7.386 -18.926 25.316 843 HD1 TYR 122 HD1 TYR 122 10.341 -20.518 26.959 844 HD2 TYR 122 HD2 TYR 122 6.234 -20.940 25.771 845 HE1 TYR 122 HE1 TYR 122 10.408 -22.918 27.578 846 HE2 TYR 122 HE2 TYR 122 6.302 -23.340 26.390 847 HH TYR 122 HH TYR 122 9.091 -25.039 26.853 848 H LEU 123 H LEU 123 9.385 -17.987 22.758 849 HA LEU 123 HA LEU 123 9.687 -20.774 21.691 850 1HB LEU 123 1HB LEU 123 7.915 -18.502 21.163 851 2HB LEU 123 2HB LEU 123 8.643 -19.147 19.692 852 HG LEU 123 HG LEU 123 7.169 -20.774 21.787 853 1HD1 LEU 123 1HD1 LEU 123 6.068 -19.127 19.895 854 2HD1 LEU 123 2HD1 LEU 123 6.189 -20.646 19.006 855 3HD1 LEU 123 3HD1 LEU 123 5.288 -20.580 20.520 856 1HD2 LEU 123 1HD2 LEU 123 9.091 -21.520 19.820 857 2HD2 LEU 123 2HD2 LEU 123 8.116 -22.582 20.837 858 3HD2 LEU 123 3HD2 LEU 123 7.516 -22.080 19.256 859 H GLN 124 H GLN 124 10.538 -17.352 21.080 860 HA GLN 124 HA GLN 124 12.192 -17.602 18.844 861 1HB GLN 124 1HB GLN 124 11.621 -15.736 20.887 862 2HB GLN 124 2HB GLN 124 13.379 -15.878 20.848 863 1HG GLN 124 1HG GLN 124 12.986 -14.234 19.227 864 2HG GLN 124 2HG GLN 124 13.068 -15.700 18.250 865 2HE2 GLN 124 2HE2 GLN 124 11.486 -15.450 16.648 866 1HE2 GLN 124 1HE2 GLN 124 9.881 -14.981 16.940 867 H ASN 125 H ASN 125 12.765 -18.761 22.090 868 HA ASN 125 HA ASN 125 15.574 -18.957 22.191 869 1HB ASN 125 1HB ASN 125 13.206 -20.278 23.352 870 2HB ASN 125 2HB ASN 125 14.663 -21.272 23.371 871 2HD2 ASN 125 2HD2 ASN 125 14.915 -21.016 25.714 872 1HD2 ASN 125 1HD2 ASN 125 15.417 -19.542 26.390 873 H ARG 126 H ARG 126 13.325 -20.637 20.145 874 HA ARG 126 HA ARG 126 14.992 -22.946 19.560 875 1HB ARG 126 1HB ARG 126 12.405 -22.377 19.270 876 2HB ARG 126 2HB ARG 126 12.937 -21.852 17.673 877 1HG ARG 126 1HG ARG 126 14.223 -24.324 18.162 878 2HG ARG 126 2HG ARG 126 12.543 -24.537 18.653 879 1HD ARG 126 1HD ARG 126 12.053 -23.282 16.360 880 2HD ARG 126 2HD ARG 126 13.659 -23.907 15.939 881 HE ARG 126 HE ARG 126 12.715 -26.174 16.769 882 1HH1 ARG 126 1HH1 ARG 126 10.002 -24.975 17.420 883 2HH1 ARG 126 2HH1 ARG 126 9.086 -25.425 16.020 884 1HH2 ARG 126 1HH2 ARG 126 11.878 -26.181 14.108 885 2HH2 ARG 126 2HH2 ARG 126 10.148 -26.105 14.145 886 H VAL 127 H VAL 127 15.269 -19.675 18.749 887 HA VAL 127 HA VAL 127 16.256 -19.933 16.024 888 HB VAL 127 HB VAL 127 16.436 -17.800 18.173 889 1HG1 VAL 127 1HG1 VAL 127 17.876 -18.047 15.688 890 2HG1 VAL 127 2HG1 VAL 127 16.749 -16.694 15.582 891 3HG1 VAL 127 3HG1 VAL 127 17.945 -16.746 16.877 892 1HG2 VAL 127 1HG2 VAL 127 14.170 -18.318 17.319 893 2HG2 VAL 127 2HG2 VAL 127 14.693 -16.710 16.817 894 3HG2 VAL 127 3HG2 VAL 127 14.738 -18.049 15.670 895 H ILE 128 H ILE 128 17.706 -19.978 19.248 896 HA ILE 128 HA ILE 128 20.457 -19.857 18.229 897 HB ILE 128 HB ILE 128 19.198 -20.424 20.930 898 1HG1 ILE 128 1HG1 ILE 128 18.862 -18.140 20.021 899 2HG1 ILE 128 2HG1 ILE 128 19.917 -18.130 21.436 900 1HG2 ILE 128 1HG2 ILE 128 22.053 -20.318 20.007 901 2HG2 ILE 128 2HG2 ILE 128 21.649 -19.731 21.620 902 3HG2 ILE 128 3HG2 ILE 128 21.300 -21.402 21.177 903 1HD1 ILE 128 1HD1 ILE 128 21.882 -18.243 19.817 904 2HD1 ILE 128 2HD1 ILE 128 20.723 -17.921 18.525 905 3HD1 ILE 128 3HD1 ILE 128 20.974 -16.730 19.801 No H/Q in entry = 905
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