NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2505 | 1bzf | 4262 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 HT1 THR 1 -2.726 6.409 4.751 2 2H THR 1 HT3 THR 1 -3.588 7.208 3.528 3 3H THR 1 HT2 THR 1 -4.426 6.399 4.766 4 HA THR 1 HA THR 1 -4.274 4.425 3.772 5 HB THR 1 HB THR 1 -3.191 5.945 1.395 6 HG1 THR 1 HG1 THR 1 -5.034 6.916 2.689 7 1HG2 THR 1 HG23 THR 1 -4.913 3.516 1.845 8 2HG2 THR 1 HG22 THR 1 -4.986 4.402 0.322 9 3HG2 THR 1 HG21 THR 1 -3.468 3.675 0.847 10 H ALA 2 HN ALA 2 -2.865 2.758 2.756 11 HA ALA 2 HA ALA 2 0.047 3.366 3.032 12 1HB ALA 2 HB3 ALA 2 -1.460 0.989 4.154 13 2HB ALA 2 HB2 ALA 2 0.297 1.060 4.034 14 3HB ALA 2 HB1 ALA 2 -0.563 2.206 5.063 15 H PHE 3 HN PHE 3 1.261 2.571 1.362 16 HA PHE 3 HA PHE 3 -0.153 0.895 -0.663 17 1HB PHE 3 HB2 PHE 3 2.107 2.877 -0.810 18 2HB PHE 3 HB1 PHE 3 1.922 1.654 -2.067 19 HD1 PHE 3 HD1 PHE 3 -0.436 3.812 -0.085 20 HD2 PHE 3 HD2 PHE 3 0.843 2.460 -3.956 21 HE1 PHE 3 HE1 PHE 3 -2.221 5.167 -1.148 22 HE2 PHE 3 HE2 PHE 3 -0.942 3.815 -5.019 23 HZ PHE 3 HZ PHE 3 -2.474 5.168 -3.614 24 H LEU 4 HN LEU 4 1.000 -0.909 -1.599 25 HA LEU 4 HA LEU 4 3.562 -1.772 -0.522 26 1HB LEU 4 HB2 LEU 4 1.998 -2.329 1.357 27 2HB LEU 4 HB1 LEU 4 1.100 -3.368 0.249 28 HG LEU 4 HG LEU 4 3.485 -4.416 -0.204 29 1HD1 LEU 4 HD11 LEU 4 3.796 -2.825 2.306 30 2HD1 LEU 4 HD13 LEU 4 4.553 -4.417 2.243 31 3HD1 LEU 4 HD12 LEU 4 4.983 -3.187 1.054 32 1HD2 LEU 4 HD21 LEU 4 1.887 -4.919 2.328 33 2HD2 LEU 4 HD23 LEU 4 1.562 -5.624 0.745 34 3HD2 LEU 4 HD22 LEU 4 3.038 -6.047 1.613 35 H TRP 5 HN TRP 5 4.377 -2.430 -2.464 36 HA TRP 5 HA TRP 5 2.891 -4.539 -3.932 37 1HB TRP 5 HB2 TRP 5 3.292 -3.424 -6.091 38 2HB TRP 5 HB1 TRP 5 2.320 -2.400 -5.037 39 HD1 TRP 5 HD1 TRP 5 5.362 -2.363 -7.102 40 HE1 TRP 5 HE1 TRP 5 6.756 -0.243 -6.656 41 HE3 TRP 5 HE3 TRP 5 3.078 -0.677 -2.852 42 HZ2 TRP 5 HZ2 TRP 5 6.889 1.884 -4.752 43 HZ3 TRP 5 HZ3 TRP 5 3.864 1.395 -1.745 44 HH2 TRP 5 HH2 TRP 5 5.762 2.677 -2.688 45 H ALA 6 HN ALA 6 4.257 -5.989 -5.046 46 HA ALA 6 HA ALA 6 7.121 -5.812 -4.264 47 1HB ALA 6 HB3 ALA 6 5.518 -8.116 -5.419 48 2HB ALA 6 HB2 ALA 6 7.202 -8.203 -4.903 49 3HB ALA 6 HB1 ALA 6 5.932 -7.900 -3.718 50 H GLN 7 HN GLN 7 8.331 -4.757 -5.771 51 HA GLN 7 HA GLN 7 7.925 -5.504 -8.638 52 1HB GLN 7 HB2 GLN 7 8.581 -3.152 -9.213 53 2HB GLN 7 HB1 GLN 7 7.052 -3.253 -8.340 54 1HG GLN 7 HG2 GLN 7 8.002 -2.476 -6.332 55 2HG GLN 7 HG1 GLN 7 9.643 -2.863 -6.852 56 1HE2 GLN 7 HE22 GLN 7 10.161 0.315 -8.260 57 2HE2 GLN 7 HE21 GLN 7 10.830 -1.140 -7.700 58 H ASP 8 HN ASP 8 9.852 -5.616 -9.885 59 HA ASP 8 HA ASP 8 12.320 -5.907 -8.249 60 1HB ASP 8 HB2 ASP 8 13.196 -7.061 -10.326 61 2HB ASP 8 HB1 ASP 8 11.820 -7.862 -9.568 62 H ARG 9 HN ARG 9 14.388 -5.261 -9.524 63 HA ARG 9 HA ARG 9 14.336 -2.448 -10.000 64 1HB ARG 9 HB2 ARG 9 16.648 -2.803 -10.911 65 2HB ARG 9 HB1 ARG 9 16.396 -3.552 -9.334 66 1HG ARG 9 HG2 ARG 9 16.223 -5.722 -10.262 67 2HG ARG 9 HG1 ARG 9 15.957 -5.095 -11.890 68 1HD ARG 9 HD2 ARG 9 18.217 -5.821 -11.889 69 2HD ARG 9 HD1 ARG 9 18.309 -4.070 -11.698 70 HE ARG 9 HE ARG 9 18.935 -6.076 -9.624 71 1HH1 ARG 9 HH11 ARG 9 18.347 -2.760 -10.476 72 2HH1 ARG 9 HH12 ARG 9 19.122 -2.134 -9.060 73 1HH2 ARG 9 HH21 ARG 9 19.937 -5.252 -7.788 74 2HH2 ARG 9 HH22 ARG 9 20.017 -3.538 -7.546 75 H ASP 10 HN ASP 10 13.601 -5.117 -12.067 76 HA ASP 10 HA ASP 10 14.126 -3.731 -14.580 77 1HB ASP 10 HB2 ASP 10 12.730 -6.288 -13.810 78 2HB ASP 10 HB1 ASP 10 12.612 -5.661 -15.456 79 H GLY 11 HN GLY 11 12.140 -2.733 -12.357 80 1HA GLY 11 HA2 GLY 11 10.166 -1.466 -12.360 81 2HA GLY 11 HA1 GLY 11 10.355 -1.352 -14.111 82 H LEU 12 HN LEU 12 10.002 -4.348 -12.256 83 HA LEU 12 HA LEU 12 7.515 -4.901 -13.812 84 1HB LEU 12 HB2 LEU 12 9.699 -6.442 -13.704 85 2HB LEU 12 HB1 LEU 12 8.900 -7.034 -12.247 86 HG LEU 12 HG LEU 12 6.790 -7.257 -13.707 87 1HD1 LEU 12 HD11 LEU 12 7.867 -5.862 -15.562 88 2HD1 LEU 12 HD13 LEU 12 8.834 -7.289 -15.936 89 3HD1 LEU 12 HD12 LEU 12 7.076 -7.352 -16.074 90 1HD2 LEU 12 HD23 LEU 12 8.337 -9.124 -12.910 91 2HD2 LEU 12 HD22 LEU 12 7.416 -9.476 -14.373 92 3HD2 LEU 12 HD21 LEU 12 9.118 -9.030 -14.488 93 H ILE 13 HN ILE 13 5.876 -6.269 -12.567 94 HA ILE 13 HA ILE 13 5.878 -5.760 -9.645 95 HB ILE 13 HB ILE 13 3.549 -4.866 -9.767 96 1HG1 ILE 13 HG12 ILE 13 3.182 -3.888 -12.258 97 2HG1 ILE 13 HG11 ILE 13 4.054 -5.367 -12.661 98 1HG2 ILE 13 HG21 ILE 13 5.555 -3.373 -9.659 99 2HG2 ILE 13 HG23 ILE 13 5.532 -3.275 -11.419 100 3HG2 ILE 13 HG22 ILE 13 4.185 -2.629 -10.482 101 1HD1 ILE 13 HD11 ILE 13 1.878 -5.618 -10.649 102 2HD1 ILE 13 HD13 ILE 13 1.381 -5.313 -12.313 103 3HD1 ILE 13 HD12 ILE 13 2.359 -6.730 -11.931 104 H GLY 14 HN GLY 14 4.700 -7.468 -12.452 105 1HA GLY 14 HA2 GLY 14 4.181 -9.859 -10.919 106 2HA GLY 14 HA1 GLY 14 2.670 -9.082 -11.396 107 H LYS 15 HN LYS 15 2.575 -11.281 -12.585 108 HA LYS 15 HA LYS 15 3.005 -10.815 -15.392 109 1HB LYS 15 HB2 LYS 15 5.351 -11.375 -14.613 110 2HB LYS 15 HB1 LYS 15 4.751 -12.978 -14.189 111 1HG LYS 15 HG2 LYS 15 3.903 -13.160 -16.583 112 2HG LYS 15 HG1 LYS 15 4.835 -11.704 -16.932 113 1HD LYS 15 HD2 LYS 15 6.892 -12.823 -16.164 114 2HD LYS 15 HD1 LYS 15 5.965 -14.281 -15.800 115 1HE LYS 15 HE2 LYS 15 5.367 -14.547 -18.141 116 2HE LYS 15 HE1 LYS 15 6.138 -13.014 -18.548 117 1HZ LYS 15 HZ1 LYS 15 8.180 -14.168 -17.419 118 2HZ LYS 15 HZ3 LYS 15 7.359 -15.586 -17.858 119 3HZ LYS 15 HZ2 LYS 15 7.804 -14.460 -19.050 120 H ASP 16 HN ASP 16 1.255 -11.814 -16.240 121 HA ASP 16 HA ASP 16 -0.454 -13.381 -16.584 122 1HB ASP 16 HB2 ASP 16 1.880 -14.984 -15.670 123 2HB ASP 16 HB1 ASP 16 0.305 -15.778 -15.594 124 H GLY 17 HN GLY 17 -0.419 -11.789 -14.128 125 1HA GLY 17 HA2 GLY 17 -2.051 -11.694 -12.384 126 2HA GLY 17 HA1 GLY 17 -2.318 -13.428 -12.571 127 H HIS 18 HN HIS 18 -0.133 -14.710 -12.075 128 HA HIS 18 HA HIS 18 0.502 -14.118 -9.292 129 1HB HIS 18 HB2 HIS 18 1.962 -16.149 -9.491 130 2HB HIS 18 HB1 HIS 18 0.294 -16.442 -9.978 131 HD1 HIS 18 HD1 HIS 18 3.775 -16.211 -11.325 132 HD2 HIS 18 HD2 HIS 18 -0.078 -16.813 -12.799 133 HE1 HIS 18 HE1 HIS 18 4.038 -17.002 -13.717 134 H LEU 19 HN LEU 19 3.018 -14.402 -8.749 135 HA LEU 19 HA LEU 19 4.342 -12.142 -10.073 136 1HB LEU 19 HB2 LEU 19 4.955 -13.877 -7.689 137 2HB LEU 19 HB1 LEU 19 6.201 -12.830 -8.370 138 HG LEU 19 HG LEU 19 3.458 -11.771 -7.691 139 1HD1 LEU 19 HD13 LEU 19 5.887 -12.045 -5.900 140 2HD1 LEU 19 HD12 LEU 19 4.546 -10.952 -5.558 141 3HD1 LEU 19 HD11 LEU 19 4.272 -12.693 -5.615 142 1HD2 LEU 19 HD21 LEU 19 6.149 -10.672 -8.412 143 2HD2 LEU 19 HD23 LEU 19 4.550 -10.154 -8.944 144 3HD2 LEU 19 HD22 LEU 19 5.125 -9.725 -7.333 145 HA PRO 20 HA PRO 20 6.924 -14.603 -12.744 146 1HB PRO 20 HB2 PRO 20 9.047 -12.801 -12.967 147 2HB PRO 20 HB1 PRO 20 7.566 -12.776 -13.934 148 1HG PRO 20 HG2 PRO 20 8.426 -10.897 -11.939 149 2HG PRO 20 HG1 PRO 20 6.986 -10.835 -12.966 150 1HD PRO 20 HD2 PRO 20 7.197 -11.573 -10.153 151 2HD PRO 20 HD1 PRO 20 5.748 -11.239 -11.117 152 H TRP 21 HN TRP 21 8.318 -13.243 -9.806 153 HA TRP 21 HA TRP 21 10.469 -15.312 -9.877 154 1HB TRP 21 HB2 TRP 21 11.500 -13.942 -8.044 155 2HB TRP 21 HB1 TRP 21 11.320 -13.058 -9.559 156 HD1 TRP 21 HD1 TRP 21 9.682 -13.419 -6.103 157 HE1 TRP 21 HE1 TRP 21 8.344 -11.272 -5.603 158 HE3 TRP 21 HE3 TRP 21 10.190 -11.002 -10.574 159 HZ2 TRP 21 HZ2 TRP 21 7.590 -8.851 -6.925 160 HZ3 TRP 21 HZ3 TRP 21 9.152 -8.780 -10.925 161 HH2 TRP 21 HH2 TRP 21 7.855 -7.702 -9.108 162 H HIS 22 HN HIS 22 10.983 -16.249 -7.646 163 HA HIS 22 HA HIS 22 8.423 -16.805 -6.199 164 1HB HIS 22 HB2 HIS 22 9.603 -18.712 -7.471 165 2HB HIS 22 HB1 HIS 22 10.840 -18.615 -6.218 166 HD1 HIS 22 HD1 HIS 22 7.013 -18.699 -6.232 167 HD2 HIS 22 HD2 HIS 22 10.239 -20.361 -4.180 168 HE1 HIS 22 HE1 HIS 22 6.029 -20.232 -4.472 169 H LEU 23 HN LEU 23 8.468 -15.548 -4.383 170 HA LEU 23 HA LEU 23 10.936 -15.671 -2.700 171 1HB LEU 23 HB2 LEU 23 10.413 -13.427 -3.951 172 2HB LEU 23 HB1 LEU 23 9.161 -13.240 -2.722 173 HG LEU 23 HG LEU 23 10.904 -13.588 -0.962 174 1HD1 LEU 23 HD12 LEU 23 12.632 -13.756 -3.421 175 2HD1 LEU 23 HD11 LEU 23 13.307 -13.171 -1.900 176 3HD1 LEU 23 HD13 LEU 23 12.630 -14.796 -1.997 177 1HD2 LEU 23 HD22 LEU 23 10.258 -11.309 -2.277 178 2HD2 LEU 23 HD21 LEU 23 11.408 -11.350 -0.939 179 3HD2 LEU 23 HD23 LEU 23 11.990 -11.359 -2.604 180 HA PRO 24 HA PRO 24 7.309 -17.620 -0.460 181 1HB PRO 24 HB2 PRO 24 9.421 -18.560 1.317 182 2HB PRO 24 HB1 PRO 24 8.285 -19.499 0.340 183 1HG PRO 24 HG2 PRO 24 11.055 -18.984 -0.166 184 2HG PRO 24 HG1 PRO 24 9.924 -19.951 -1.123 185 1HD PRO 24 HD2 PRO 24 11.054 -17.496 -1.877 186 2HD PRO 24 HD1 PRO 24 9.692 -18.309 -2.664 187 H ASP 25 HN ASP 25 10.153 -15.901 0.820 188 HA ASP 25 HA ASP 25 9.058 -15.256 3.379 189 1HB ASP 25 HB2 ASP 25 11.490 -14.964 2.402 190 2HB ASP 25 HB1 ASP 25 10.900 -13.365 1.948 191 H ASP 26 HN ASP 26 9.138 -13.360 0.347 192 HA ASP 26 HA ASP 26 7.639 -11.140 1.347 193 1HB ASP 26 HB2 ASP 26 8.962 -11.123 -0.774 194 2HB ASP 26 HB1 ASP 26 7.748 -12.175 -1.503 195 H LEU 27 HN LEU 27 6.677 -14.262 0.043 196 HA LEU 27 HA LEU 27 3.880 -13.587 -0.304 197 1HB LEU 27 HB2 LEU 27 5.255 -16.272 0.028 198 2HB LEU 27 HB1 LEU 27 3.569 -16.058 -0.444 199 HG LEU 27 HG LEU 27 5.929 -14.910 -1.962 200 1HD1 LEU 27 HD12 LEU 27 4.324 -17.442 -2.286 201 2HD1 LEU 27 HD11 LEU 27 5.104 -16.681 -3.671 202 3HD1 LEU 27 HD13 LEU 27 6.076 -17.239 -2.310 203 1HD2 LEU 27 HD23 LEU 27 2.968 -14.725 -2.181 204 2HD2 LEU 27 HD22 LEU 27 4.207 -13.571 -2.677 205 3HD2 LEU 27 HD21 LEU 27 3.845 -14.965 -3.693 206 H HIS 28 HN HIS 28 5.858 -14.563 2.390 207 HA HIS 28 HA HIS 28 3.546 -15.304 4.060 208 1HB HIS 28 HB2 HIS 28 6.526 -15.148 4.525 209 2HB HIS 28 HB1 HIS 28 5.399 -15.396 5.858 210 HD1 HIS 28 HD1 HIS 28 3.395 -17.326 4.766 211 HD2 HIS 28 HD2 HIS 28 7.458 -17.670 3.895 212 HE1 HIS 28 HE1 HIS 28 3.782 -19.737 4.095 213 H TYR 29 HN TYR 29 5.502 -12.510 3.380 214 HA TYR 29 HA TYR 29 4.838 -11.052 5.807 215 1HB TYR 29 HB2 TYR 29 6.832 -10.624 4.252 216 2HB TYR 29 HB1 TYR 29 5.681 -9.839 3.169 217 HD1 TYR 29 HD1 TYR 29 6.290 -9.891 6.879 218 HD2 TYR 29 HD2 TYR 29 5.653 -7.523 3.352 219 HE1 TYR 29 HE1 TYR 29 6.413 -7.824 8.244 220 HE2 TYR 29 HE2 TYR 29 5.776 -5.456 4.717 221 HH TYR 29 HH TYR 29 6.483 -4.646 6.764 222 H PHE 30 HN PHE 30 3.309 -11.585 2.726 223 HA PHE 30 HA PHE 30 1.589 -9.301 2.660 224 1HB PHE 30 HB2 PHE 30 1.977 -10.939 0.770 225 2HB PHE 30 HB1 PHE 30 0.934 -12.073 1.628 226 HD1 PHE 30 HD2 PHE 30 0.976 -8.511 0.449 227 HD2 PHE 30 HD1 PHE 30 -1.363 -12.033 1.211 228 HE1 PHE 30 HE2 PHE 30 -1.025 -7.386 -0.492 229 HE2 PHE 30 HE1 PHE 30 -3.363 -10.908 0.272 230 HZ PHE 30 HZ PHE 30 -3.194 -8.586 -0.580 231 H ARG 31 HN ARG 31 1.139 -12.559 4.044 232 HA ARG 31 HA ARG 31 -1.529 -12.132 4.989 233 1HB ARG 31 HB2 ARG 31 -0.167 -14.339 4.816 234 2HB ARG 31 HB1 ARG 31 0.464 -13.897 6.404 235 1HG ARG 31 HG2 ARG 31 -2.065 -13.532 7.005 236 2HG ARG 31 HG1 ARG 31 -2.354 -14.576 5.613 237 1HD ARG 31 HD2 ARG 31 -0.493 -15.303 7.890 238 2HD ARG 31 HD1 ARG 31 -2.180 -15.809 7.809 239 HE ARG 31 HE ARG 31 0.016 -16.840 6.148 240 1HH1 ARG 31 HH21 ARG 31 -3.409 -16.488 6.610 241 2HH1 ARG 31 HH22 ARG 31 -3.805 -17.837 5.599 242 1HH2 ARG 31 HH11 ARG 31 -0.510 -18.588 4.837 243 2HH2 ARG 31 HH12 ARG 31 -2.171 -19.020 4.600 244 H ALA 32 HN ALA 32 1.592 -11.174 6.219 245 HA ALA 32 HA ALA 32 0.597 -10.546 8.903 246 1HB ALA 32 HB2 ALA 32 3.201 -9.993 7.463 247 2HB ALA 32 HB1 ALA 32 2.875 -9.415 9.097 248 3HB ALA 32 HB3 ALA 32 2.912 -11.146 8.765 249 H GLN 33 HN GLN 33 1.023 -8.893 5.846 250 HA GLN 33 HA GLN 33 0.313 -6.294 7.123 251 1HB GLN 33 HB2 GLN 33 1.418 -6.980 4.386 252 2HB GLN 33 HB1 GLN 33 0.912 -5.356 4.852 253 1HG GLN 33 HG2 GLN 33 2.878 -6.905 6.533 254 2HG GLN 33 HG1 GLN 33 3.416 -5.969 5.137 255 1HE2 GLN 33 HE22 GLN 33 2.179 -2.843 6.684 256 2HE2 GLN 33 HE21 GLN 33 1.978 -3.658 5.209 257 H THR 34 HN THR 34 -1.643 -8.435 6.772 258 HA THR 34 HA THR 34 -3.576 -6.947 5.067 259 HB THR 34 HB THR 34 -4.430 -9.193 4.241 260 HG1 THR 34 HG1 THR 34 -2.657 -10.798 4.305 261 1HG2 THR 34 HG21 THR 34 -1.712 -8.114 3.513 262 2HG2 THR 34 HG23 THR 34 -2.421 -9.472 2.639 263 3HG2 THR 34 HG22 THR 34 -3.239 -7.910 2.657 264 H VAL 35 HN VAL 35 -2.968 -9.323 7.611 265 HA VAL 35 HA VAL 35 -5.766 -9.495 8.416 266 HB VAL 35 HB VAL 35 -4.821 -10.682 10.413 267 1HG1 VAL 35 HG11 VAL 35 -5.300 -11.790 8.175 268 2HG1 VAL 35 HG13 VAL 35 -3.577 -11.647 7.827 269 3HG1 VAL 35 HG12 VAL 35 -4.123 -12.625 9.189 270 1HG2 VAL 35 HG21 VAL 35 -2.216 -9.935 9.051 271 2HG2 VAL 35 HG23 VAL 35 -2.728 -9.503 10.683 272 3HG2 VAL 35 HG22 VAL 35 -2.343 -11.179 10.294 273 H GLY 36 HN GLY 36 -6.817 -8.152 9.809 274 1HA GLY 36 HA2 GLY 36 -6.942 -6.738 11.778 275 2HA GLY 36 HA1 GLY 36 -5.221 -6.390 11.598 276 H LYS 37 HN LYS 37 -5.438 -5.895 8.707 277 HA LYS 37 HA LYS 37 -6.768 -3.220 8.838 278 1HB LYS 37 HB2 LYS 37 -4.476 -4.147 7.076 279 2HB LYS 37 HB1 LYS 37 -5.162 -2.522 7.103 280 1HG LYS 37 HG2 LYS 37 -4.459 -2.185 9.388 281 2HG LYS 37 HG1 LYS 37 -3.965 -3.872 9.537 282 1HD LYS 37 HD2 LYS 37 -2.324 -3.444 7.646 283 2HD LYS 37 HD1 LYS 37 -2.701 -1.729 7.813 284 1HE LYS 37 HE2 LYS 37 -1.656 -3.506 10.038 285 2HE LYS 37 HE1 LYS 37 -0.685 -2.356 9.118 286 1HZ LYS 37 HZ1 LYS 37 -3.076 -1.193 10.181 287 2HZ LYS 37 HZ3 LYS 37 -2.066 -1.810 11.395 288 3HZ LYS 37 HZ2 LYS 37 -1.466 -0.659 10.297 289 H ILE 38 HN ILE 38 -7.548 -2.454 6.624 290 HA ILE 38 HA ILE 38 -9.192 -4.584 5.434 291 HB ILE 38 HB ILE 38 -9.030 -1.648 4.692 292 1HG1 ILE 38 HG12 ILE 38 -11.010 -3.015 6.537 293 2HG1 ILE 38 HG11 ILE 38 -9.607 -2.114 7.114 294 1HG2 ILE 38 HG22 ILE 38 -10.096 -3.343 3.090 295 2HG2 ILE 38 HG21 ILE 38 -11.324 -3.585 4.331 296 3HG2 ILE 38 HG23 ILE 38 -11.118 -1.997 3.592 297 1HD1 ILE 38 HD11 ILE 38 -11.614 -0.892 5.215 298 2HD1 ILE 38 HD13 ILE 38 -11.824 -0.821 6.965 299 3HD1 ILE 38 HD12 ILE 38 -10.417 -0.069 6.215 300 H MET 39 HN MET 39 -8.615 -5.671 3.621 301 HA MET 39 HA MET 39 -6.228 -4.774 2.118 302 1HB MET 39 HB2 MET 39 -6.577 -7.181 2.884 303 2HB MET 39 HB1 MET 39 -7.854 -7.287 1.672 304 1HG MET 39 HG2 MET 39 -6.155 -6.517 -0.043 305 2HG MET 39 HG1 MET 39 -4.918 -6.717 1.199 306 1HE MET 39 HE1 MET 39 -7.804 -8.030 -0.573 307 2HE MET 39 HE3 MET 39 -7.471 -9.717 -0.987 308 3HE MET 39 HE2 MET 39 -8.159 -9.312 0.583 309 H VAL 40 HN VAL 40 -6.715 -3.266 0.582 310 HA VAL 40 HA VAL 40 -9.256 -3.496 -0.933 311 HB VAL 40 HB VAL 40 -7.134 -1.333 -1.068 312 1HG1 VAL 40 HG12 VAL 40 -10.018 -1.477 -1.996 313 2HG1 VAL 40 HG11 VAL 40 -9.035 -0.013 -2.013 314 3HG1 VAL 40 HG13 VAL 40 -8.588 -1.387 -3.024 315 1HG2 VAL 40 HG21 VAL 40 -9.585 -1.674 0.667 316 2HG2 VAL 40 HG23 VAL 40 -7.942 -1.273 1.164 317 3HG2 VAL 40 HG22 VAL 40 -8.920 -0.079 0.312 318 H VAL 41 HN VAL 41 -9.247 -4.529 -2.859 319 HA VAL 41 HA VAL 41 -6.766 -4.449 -4.513 320 HB VAL 41 HB VAL 41 -7.185 -6.846 -5.123 321 1HG1 VAL 41 HG11 VAL 41 -6.651 -6.115 -2.235 322 2HG1 VAL 41 HG13 VAL 41 -6.447 -7.753 -2.855 323 3HG1 VAL 41 HG12 VAL 41 -5.470 -6.435 -3.504 324 1HG2 VAL 41 HG23 VAL 41 -9.218 -6.584 -2.886 325 2HG2 VAL 41 HG22 VAL 41 -9.535 -7.030 -4.563 326 3HG2 VAL 41 HG21 VAL 41 -8.645 -8.131 -3.511 327 H GLY 42 HN GLY 42 -7.242 -4.992 -6.827 328 1HA GLY 42 HA2 GLY 42 -9.815 -3.775 -7.622 329 2HA GLY 42 HA1 GLY 42 -8.455 -4.113 -8.695 330 H ARG 43 HN ARG 43 -10.221 -5.041 -10.084 331 HA ARG 43 HA ARG 43 -11.447 -7.553 -9.193 332 1HB ARG 43 HB2 ARG 43 -12.312 -7.625 -11.548 333 2HB ARG 43 HB1 ARG 43 -12.715 -6.128 -10.705 334 1HG ARG 43 HG2 ARG 43 -10.652 -5.096 -11.744 335 2HG ARG 43 HG1 ARG 43 -10.502 -6.552 -12.729 336 1HD ARG 43 HD2 ARG 43 -12.901 -6.141 -13.481 337 2HD ARG 43 HD1 ARG 43 -12.775 -4.556 -12.718 338 HE ARG 43 HE ARG 43 -10.566 -4.594 -14.339 339 1HH1 ARG 43 HH21 ARG 43 -13.922 -5.330 -14.859 340 2HH1 ARG 43 HH22 ARG 43 -13.891 -4.852 -16.524 341 1HH2 ARG 43 HH11 ARG 43 -10.539 -3.978 -16.500 342 2HH2 ARG 43 HH12 ARG 43 -11.985 -4.091 -17.448 343 H ARG 44 HN ARG 44 -8.823 -6.546 -11.358 344 HA ARG 44 HA ARG 44 -8.250 -9.173 -12.386 345 1HB ARG 44 HB2 ARG 44 -6.036 -8.162 -13.000 346 2HB ARG 44 HB1 ARG 44 -7.414 -7.203 -13.542 347 1HG ARG 44 HG2 ARG 44 -7.182 -5.729 -11.592 348 2HG ARG 44 HG1 ARG 44 -5.835 -6.703 -11.001 349 1HD ARG 44 HD2 ARG 44 -4.876 -4.816 -12.139 350 2HD ARG 44 HD1 ARG 44 -4.656 -6.212 -13.195 351 HE ARG 44 HE ARG 44 -6.518 -3.959 -13.664 352 1HH1 ARG 44 HH11 ARG 44 -5.325 -7.096 -14.562 353 2HH1 ARG 44 HH12 ARG 44 -5.984 -7.019 -16.163 354 1HH2 ARG 44 HH21 ARG 44 -7.367 -3.871 -15.742 355 2HH2 ARG 44 HH22 ARG 44 -7.134 -5.201 -16.826 356 H THR 45 HN THR 45 -7.223 -7.401 -9.516 357 HA THR 45 HA THR 45 -5.188 -9.368 -8.779 358 HB THR 45 HB THR 45 -6.454 -7.328 -6.942 359 HG1 THR 45 HG1 THR 45 -5.135 -5.822 -7.800 360 1HG2 THR 45 HG22 THR 45 -3.746 -8.671 -7.114 361 2HG2 THR 45 HG21 THR 45 -4.106 -7.333 -6.024 362 3HG2 THR 45 HG23 THR 45 -4.955 -8.869 -5.846 363 H TYR 46 HN TYR 46 -8.595 -8.858 -8.178 364 HA TYR 46 HA TYR 46 -8.859 -10.527 -5.858 365 1HB TYR 46 HB2 TYR 46 -10.571 -8.881 -6.914 366 2HB TYR 46 HB1 TYR 46 -11.006 -10.237 -7.954 367 HD1 TYR 46 HD2 TYR 46 -10.383 -9.486 -4.328 368 HD2 TYR 46 HD1 TYR 46 -12.646 -11.720 -7.216 369 HE1 TYR 46 HE2 TYR 46 -11.766 -10.444 -2.505 370 HE2 TYR 46 HE1 TYR 46 -14.029 -12.677 -5.393 371 HH TYR 46 HH TYR 46 -13.776 -11.521 -2.096 372 H GLU 47 HN GLU 47 -9.650 -11.253 -9.280 373 HA GLU 47 HA GLU 47 -9.993 -14.067 -8.845 374 1HB GLU 47 HB2 GLU 47 -9.334 -12.495 -11.353 375 2HB GLU 47 HB1 GLU 47 -9.731 -14.215 -11.345 376 1HG GLU 47 HG2 GLU 47 -11.894 -13.641 -10.198 377 2HG GLU 47 HG1 GLU 47 -11.507 -11.936 -10.431 378 H SER 48 HN SER 48 -7.182 -12.068 -9.393 379 HA SER 48 HA SER 48 -5.358 -14.083 -10.278 380 1HB SER 48 HB2 SER 48 -4.827 -11.679 -10.379 381 2HB SER 48 HB1 SER 48 -4.823 -11.598 -8.619 382 HG SER 48 HG SER 48 -3.234 -13.542 -9.826 383 H PHE 49 HN PHE 49 -6.768 -13.438 -7.178 384 HA PHE 49 HA PHE 49 -4.784 -14.606 -5.484 385 1HB PHE 49 HB2 PHE 49 -7.782 -14.304 -5.232 386 2HB PHE 49 HB1 PHE 49 -6.809 -15.053 -3.966 387 HD1 PHE 49 HD1 PHE 49 -4.424 -13.581 -3.704 388 HD2 PHE 49 HD2 PHE 49 -8.320 -12.095 -4.734 389 HE1 PHE 49 HE1 PHE 49 -3.791 -11.336 -2.862 390 HE2 PHE 49 HE2 PHE 49 -7.687 -9.850 -3.892 391 HZ PHE 49 HZ PHE 49 -5.422 -9.470 -2.957 392 HA PRO 50 HA PRO 50 -5.280 -18.961 -6.245 393 1HB PRO 50 HB2 PRO 50 -4.689 -19.887 -3.670 394 2HB PRO 50 HB1 PRO 50 -3.509 -19.495 -4.926 395 1HG PRO 50 HG2 PRO 50 -3.992 -18.120 -2.461 396 2HG PRO 50 HG1 PRO 50 -2.792 -17.751 -3.708 397 1HD PRO 50 HD2 PRO 50 -5.343 -16.432 -3.164 398 2HD PRO 50 HD1 PRO 50 -3.994 -15.887 -4.174 399 H LYS 51 HN LYS 51 -6.353 -18.636 -2.850 400 HA LYS 51 HA LYS 51 -8.922 -19.946 -3.654 401 1HB LYS 51 HB2 LYS 51 -8.991 -20.757 -1.266 402 2HB LYS 51 HB1 LYS 51 -7.659 -21.422 -2.211 403 1HG LYS 51 HG2 LYS 51 -6.071 -20.323 -0.994 404 2HG LYS 51 HG1 LYS 51 -7.067 -18.879 -0.812 405 1HD LYS 51 HD2 LYS 51 -8.339 -19.875 0.963 406 2HD LYS 51 HD1 LYS 51 -7.634 -21.463 0.658 407 1HE LYS 51 HE2 LYS 51 -6.382 -20.714 2.490 408 2HE LYS 51 HE1 LYS 51 -5.359 -20.257 1.128 409 1HZ LYS 51 HZ1 LYS 51 -7.377 -18.415 2.261 410 2HZ LYS 51 HZ3 LYS 51 -5.798 -18.498 2.875 411 3HZ LYS 51 HZ2 LYS 51 -6.057 -18.044 1.258 412 H ARG 52 HN ARG 52 -9.615 -17.663 -4.097 413 HA ARG 52 HA ARG 52 -9.897 -15.835 -1.837 414 1HB ARG 52 HB2 ARG 52 -11.260 -14.495 -3.460 415 2HB ARG 52 HB1 ARG 52 -9.659 -14.908 -4.074 416 1HG ARG 52 HG2 ARG 52 -10.535 -16.664 -5.445 417 2HG ARG 52 HG1 ARG 52 -12.110 -16.582 -4.656 418 1HD ARG 52 HD2 ARG 52 -12.601 -14.461 -5.635 419 2HD ARG 52 HD1 ARG 52 -10.932 -14.238 -6.158 420 HE ARG 52 HE ARG 52 -11.419 -15.538 -8.060 421 1HH1 ARG 52 HH11 ARG 52 -13.784 -16.070 -5.572 422 2HH1 ARG 52 HH12 ARG 52 -14.791 -17.059 -6.575 423 1HH2 ARG 52 HH21 ARG 52 -12.734 -16.823 -9.353 424 2HH2 ARG 52 HH22 ARG 52 -14.198 -17.483 -8.705 425 HA PRO 53 HA PRO 53 -11.409 -14.095 -1.488 426 1HB PRO 53 HB2 PRO 53 -12.854 -13.550 0.850 427 2HB PRO 53 HB1 PRO 53 -13.320 -13.085 -0.792 428 1HG PRO 53 HG2 PRO 53 -14.576 -14.998 0.927 429 2HG PRO 53 HG1 PRO 53 -15.049 -14.513 -0.708 430 1HD PRO 53 HD2 PRO 53 -13.664 -16.935 0.164 431 2HD PRO 53 HD1 PRO 53 -14.438 -16.586 -1.391 432 H LEU 54 HN LEU 54 -10.219 -13.077 0.402 433 HA LEU 54 HA LEU 54 -8.735 -15.172 1.852 434 1HB LEU 54 HB2 LEU 54 -8.302 -12.173 1.768 435 2HB LEU 54 HB1 LEU 54 -7.184 -13.366 2.431 436 HG LEU 54 HG LEU 54 -8.132 -13.402 -0.444 437 1HD1 LEU 54 HD13 LEU 54 -6.761 -11.336 0.329 438 2HD1 LEU 54 HD12 LEU 54 -5.418 -12.469 0.482 439 3HD1 LEU 54 HD11 LEU 54 -6.192 -12.224 -1.084 440 1HD2 LEU 54 HD23 LEU 54 -5.984 -14.838 1.134 441 2HD2 LEU 54 HD22 LEU 54 -7.328 -15.549 0.240 442 3HD2 LEU 54 HD21 LEU 54 -5.991 -14.795 -0.628 443 HA PRO 55 HA PRO 55 -11.334 -14.252 5.463 444 1HB PRO 55 HB2 PRO 55 -10.287 -16.395 6.941 445 2HB PRO 55 HB1 PRO 55 -11.739 -16.434 5.933 446 1HG PRO 55 HG2 PRO 55 -9.245 -17.759 5.488 447 2HG PRO 55 HG1 PRO 55 -10.705 -17.805 4.489 448 1HD PRO 55 HD2 PRO 55 -8.226 -16.321 4.054 449 2HD PRO 55 HD1 PRO 55 -9.557 -16.636 2.927 450 H GLU 56 HN GLU 56 -10.756 -14.120 7.927 451 HA GLU 56 HA GLU 56 -9.469 -13.108 9.603 452 1HB GLU 56 HB2 GLU 56 -7.092 -14.044 7.966 453 2HB GLU 56 HB1 GLU 56 -7.105 -13.638 9.682 454 1HG GLU 56 HG2 GLU 56 -8.840 -15.826 8.520 455 2HG GLU 56 HG1 GLU 56 -7.214 -16.129 9.134 456 H ARG 57 HN ARG 57 -10.222 -11.659 7.084 457 HA ARG 57 HA ARG 57 -8.933 -9.172 7.636 458 1HB ARG 57 HB2 ARG 57 -7.610 -8.939 5.534 459 2HB ARG 57 HB1 ARG 57 -6.964 -10.189 6.598 460 1HG ARG 57 HG2 ARG 57 -8.529 -11.784 5.219 461 2HG ARG 57 HG1 ARG 57 -8.470 -10.497 4.016 462 1HD ARG 57 HD2 ARG 57 -6.611 -11.686 3.352 463 2HD ARG 57 HD1 ARG 57 -5.853 -10.640 4.553 464 HE ARG 57 HE ARG 57 -6.677 -12.853 6.012 465 1HH1 ARG 57 HH21 ARG 57 -4.732 -12.322 3.183 466 2HH1 ARG 57 HH22 ARG 57 -3.731 -13.707 3.465 467 1HH2 ARG 57 HH11 ARG 57 -5.371 -14.648 6.367 468 2HH2 ARG 57 HH12 ARG 57 -4.093 -15.017 5.260 469 H THR 58 HN THR 58 -9.770 -7.461 6.261 470 HA THR 58 HA THR 58 -12.413 -8.067 5.198 471 HB THR 58 HB THR 58 -10.904 -5.464 4.889 472 HG1 THR 58 HG1 THR 58 -12.630 -5.866 7.021 473 1HG2 THR 58 HG22 THR 58 -13.118 -5.886 3.708 474 2HG2 THR 58 HG21 THR 58 -13.852 -5.984 5.308 475 3HG2 THR 58 HG23 THR 58 -13.083 -4.487 4.781 476 H ASN 59 HN ASN 59 -13.055 -8.023 3.024 477 HA ASN 59 HA ASN 59 -10.831 -7.944 1.020 478 1HB ASN 59 HB2 ASN 59 -13.364 -9.614 0.924 479 2HB ASN 59 HB1 ASN 59 -12.072 -9.618 -0.276 480 1HD2 ASN 59 HD22 ASN 59 -9.754 -11.083 2.257 481 2HD2 ASN 59 HD21 ASN 59 -9.775 -9.668 1.321 482 H VAL 60 HN VAL 60 -11.136 -5.812 0.332 483 HA VAL 60 HA VAL 60 -13.868 -5.016 -0.543 484 HB VAL 60 HB VAL 60 -11.358 -3.326 -0.350 485 1HG1 VAL 60 HG13 VAL 60 -14.299 -2.664 -0.676 486 2HG1 VAL 60 HG12 VAL 60 -13.045 -1.468 -0.346 487 3HG1 VAL 60 HG11 VAL 60 -13.018 -2.383 -1.854 488 1HG2 VAL 60 HG22 VAL 60 -13.575 -3.911 1.620 489 2HG2 VAL 60 HG21 VAL 60 -11.832 -4.006 1.878 490 3HG2 VAL 60 HG23 VAL 60 -12.616 -2.434 1.717 491 H VAL 61 HN VAL 61 -14.197 -4.218 -2.696 492 HA VAL 61 HA VAL 61 -11.996 -4.740 -4.636 493 HB VAL 61 HB VAL 61 -14.855 -5.677 -5.018 494 1HG1 VAL 61 HG12 VAL 61 -12.310 -5.918 -6.637 495 2HG1 VAL 61 HG11 VAL 61 -13.711 -6.955 -6.912 496 3HG1 VAL 61 HG13 VAL 61 -13.847 -5.210 -7.136 497 1HG2 VAL 61 HG22 VAL 61 -12.363 -7.059 -4.043 498 2HG2 VAL 61 HG21 VAL 61 -14.009 -7.173 -3.419 499 3HG2 VAL 61 HG23 VAL 61 -13.584 -7.967 -4.935 500 H LEU 62 HN LEU 62 -11.723 -2.910 -5.801 501 HA LEU 62 HA LEU 62 -13.971 -0.978 -6.000 502 1HB LEU 62 HB2 LEU 62 -11.627 -0.285 -5.263 503 2HB LEU 62 HB1 LEU 62 -11.115 -0.584 -6.924 504 HG LEU 62 HG LEU 62 -13.001 0.980 -7.643 505 1HD1 LEU 62 HD12 LEU 62 -13.028 1.351 -4.652 506 2HD1 LEU 62 HD11 LEU 62 -13.517 2.661 -5.727 507 3HD1 LEU 62 HD13 LEU 62 -14.393 1.131 -5.749 508 1HD2 LEU 62 HD21 LEU 62 -10.511 1.548 -7.432 509 2HD2 LEU 62 HD23 LEU 62 -11.624 2.915 -7.380 510 3HD2 LEU 62 HD22 LEU 62 -10.917 2.297 -5.888 511 H THR 63 HN THR 63 -15.217 -1.104 -7.792 512 HA THR 63 HA THR 63 -13.945 -1.455 -10.433 513 HB THR 63 HB THR 63 -14.416 -3.764 -9.824 514 HG1 THR 63 HG1 THR 63 -16.495 -3.807 -11.356 515 1HG2 THR 63 HG21 THR 63 -16.110 -3.190 -8.067 516 2HG2 THR 63 HG23 THR 63 -17.273 -2.871 -9.354 517 3HG2 THR 63 HG22 THR 63 -16.624 -4.496 -9.134 518 H HIS 64 HN HIS 64 -15.163 -0.492 -12.080 519 HA HIS 64 HA HIS 64 -17.539 1.050 -11.150 520 1HB HIS 64 HB2 HIS 64 -17.129 2.419 -13.215 521 2HB HIS 64 HB1 HIS 64 -15.776 2.437 -12.085 522 HD1 HIS 64 HD1 HIS 64 -13.560 1.890 -13.085 523 HD2 HIS 64 HD2 HIS 64 -16.687 0.305 -15.340 524 HE1 HIS 64 HE1 HIS 64 -12.502 0.812 -15.119 525 H GLN 65 HN GLN 65 -17.627 -1.803 -11.907 526 HA GLN 65 HA GLN 65 -19.484 -1.574 -14.243 527 1HB GLN 65 HB2 GLN 65 -17.610 -3.846 -13.516 528 2HB GLN 65 HB1 GLN 65 -18.851 -3.948 -14.767 529 1HG GLN 65 HG2 GLN 65 -16.869 -1.689 -14.821 530 2HG GLN 65 HG1 GLN 65 -16.404 -3.275 -15.439 531 1HE2 GLN 65 HE22 GLN 65 -17.907 -2.477 -18.519 532 2HE2 GLN 65 HE21 GLN 65 -16.550 -3.077 -17.693 533 H GLU 66 HN GLU 66 -21.524 -2.326 -13.866 534 HA GLU 66 HA GLU 66 -22.141 -3.387 -11.185 535 1HB GLU 66 HB2 GLU 66 -23.799 -2.444 -13.523 536 2HB GLU 66 HB1 GLU 66 -24.537 -3.296 -12.167 537 1HG GLU 66 HG2 GLU 66 -23.827 -1.619 -10.610 538 2HG GLU 66 HG1 GLU 66 -22.773 -0.863 -11.806 539 H ASP 67 HN ASP 67 -20.636 -5.047 -13.126 540 HA ASP 67 HA ASP 67 -22.603 -7.281 -13.450 541 1HB ASP 67 HB2 ASP 67 -21.503 -6.257 -15.551 542 2HB ASP 67 HB1 ASP 67 -20.018 -7.027 -14.991 543 H TYR 68 HN TYR 68 -19.422 -6.309 -12.316 544 HA TYR 68 HA TYR 68 -18.424 -8.935 -11.705 545 1HB TYR 68 HB2 TYR 68 -17.156 -6.667 -11.790 546 2HB TYR 68 HB1 TYR 68 -17.710 -6.468 -10.127 547 HD1 TYR 68 HD1 TYR 68 -15.675 -8.561 -12.405 548 HD2 TYR 68 HD2 TYR 68 -16.825 -7.819 -8.334 549 HE1 TYR 68 HE1 TYR 68 -13.855 -10.050 -11.619 550 HE2 TYR 68 HE2 TYR 68 -15.005 -9.310 -7.547 551 HH TYR 68 HH TYR 68 -12.606 -10.602 -9.760 552 H GLN 69 HN GLN 69 -18.596 -10.148 -9.813 553 HA GLN 69 HA GLN 69 -20.280 -9.047 -7.614 554 1HB GLN 69 HB2 GLN 69 -20.694 -11.665 -9.079 555 2HB GLN 69 HB1 GLN 69 -21.411 -11.320 -7.504 556 1HG GLN 69 HG2 GLN 69 -21.760 -9.373 -9.769 557 2HG GLN 69 HG1 GLN 69 -22.793 -10.799 -9.664 558 1HE2 GLN 69 HE22 GLN 69 -24.031 -7.760 -7.594 559 2HE2 GLN 69 HE21 GLN 69 -23.271 -7.764 -9.113 560 H ALA 70 HN ALA 70 -19.673 -9.782 -5.570 561 HA ALA 70 HA ALA 70 -17.548 -11.868 -5.431 562 1HB ALA 70 HB3 ALA 70 -16.619 -9.472 -5.378 563 2HB ALA 70 HB2 ALA 70 -17.411 -9.321 -3.809 564 3HB ALA 70 HB1 ALA 70 -16.149 -10.529 -4.047 565 H GLN 71 HN GLN 71 -18.313 -13.415 -4.089 566 HA GLN 71 HA GLN 71 -20.434 -12.801 -2.149 567 1HB GLN 71 HB2 GLN 71 -18.993 -15.363 -2.885 568 2HB GLN 71 HB1 GLN 71 -20.262 -15.276 -1.664 569 1HG GLN 71 HG2 GLN 71 -20.674 -14.253 -4.478 570 2HG GLN 71 HG1 GLN 71 -21.002 -15.928 -4.034 571 1HE2 GLN 71 HE22 GLN 71 -23.948 -15.154 -2.202 572 2HE2 GLN 71 HE21 GLN 71 -22.788 -16.346 -2.546 573 H GLY 72 HN GLY 72 -19.990 -12.176 -0.102 574 1HA GLY 72 HA2 GLY 72 -18.944 -12.186 2.022 575 2HA GLY 72 HA1 GLY 72 -17.804 -13.389 1.416 576 H ALA 73 HN ALA 73 -18.534 -10.181 0.066 577 HA ALA 73 HA ALA 73 -15.990 -9.072 1.017 578 1HB ALA 73 HB3 ALA 73 -16.444 -9.797 -1.884 579 2HB ALA 73 HB2 ALA 73 -15.269 -8.577 -1.390 580 3HB ALA 73 HB1 ALA 73 -15.084 -10.248 -0.855 581 H VAL 74 HN VAL 74 -15.978 -6.804 0.867 582 HA VAL 74 HA VAL 74 -18.591 -5.571 0.355 583 HB VAL 74 HB VAL 74 -15.972 -4.251 1.130 584 1HG1 VAL 74 HG12 VAL 74 -18.866 -3.380 1.414 585 2HG1 VAL 74 HG11 VAL 74 -17.462 -2.478 1.989 586 3HG1 VAL 74 HG13 VAL 74 -17.705 -2.723 0.260 587 1HG2 VAL 74 HG22 VAL 74 -18.210 -5.394 2.831 588 2HG2 VAL 74 HG21 VAL 74 -16.538 -5.953 2.779 589 3HG2 VAL 74 HG23 VAL 74 -16.917 -4.367 3.450 590 H VAL 75 HN VAL 75 -18.936 -5.574 -1.876 591 HA VAL 75 HA VAL 75 -16.867 -4.758 -3.759 592 HB VAL 75 HB VAL 75 -19.857 -4.992 -4.209 593 1HG1 VAL 75 HG12 VAL 75 -18.368 -3.789 -5.915 594 2HG1 VAL 75 HG11 VAL 75 -17.594 -5.351 -6.183 595 3HG1 VAL 75 HG13 VAL 75 -19.312 -5.148 -6.526 596 1HG2 VAL 75 HG22 VAL 75 -17.636 -7.050 -4.381 597 2HG2 VAL 75 HG21 VAL 75 -19.049 -7.098 -3.327 598 3HG2 VAL 75 HG23 VAL 75 -19.243 -7.283 -5.070 599 H VAL 76 HN VAL 76 -16.212 -2.646 -3.413 600 HA VAL 76 HA VAL 76 -18.245 -0.530 -3.044 601 HB VAL 76 HB VAL 76 -16.237 0.955 -2.803 602 1HG1 VAL 76 HG12 VAL 76 -16.480 -1.550 -1.127 603 2HG1 VAL 76 HG11 VAL 76 -15.377 -0.242 -0.703 604 3HG1 VAL 76 HG13 VAL 76 -17.113 0.059 -0.776 605 1HG2 VAL 76 HG23 VAL 76 -14.793 -1.680 -3.229 606 2HG2 VAL 76 HG22 VAL 76 -14.673 -0.235 -4.233 607 3HG2 VAL 76 HG21 VAL 76 -14.025 -0.226 -2.592 608 H HIS 77 HN HIS 77 -18.367 1.296 -4.497 609 HA HIS 77 HA HIS 77 -17.136 0.873 -7.182 610 1HB HIS 77 HB2 HIS 77 -20.042 1.566 -6.649 611 2HB HIS 77 HB1 HIS 77 -19.284 1.499 -8.240 612 HD1 HIS 77 HD1 HIS 77 -18.692 -0.838 -9.195 613 HD2 HIS 77 HD2 HIS 77 -20.515 -0.980 -5.449 614 HE1 HIS 77 HE1 HIS 77 -19.330 -3.256 -8.801 615 H ASP 78 HN ASP 78 -16.530 2.702 -4.926 616 HA ASP 78 HA ASP 78 -16.299 5.154 -6.459 617 1HB ASP 78 HB2 ASP 78 -18.714 5.134 -5.528 618 2HB ASP 78 HB1 ASP 78 -17.963 5.392 -3.951 619 H VAL 79 HN VAL 79 -14.793 6.584 -5.486 620 HA VAL 79 HA VAL 79 -12.952 5.381 -3.622 621 HB VAL 79 HB VAL 79 -13.164 8.300 -4.414 622 1HG1 VAL 79 HG12 VAL 79 -11.690 7.711 -2.464 623 2HG1 VAL 79 HG11 VAL 79 -10.776 6.652 -3.537 624 3HG1 VAL 79 HG13 VAL 79 -10.811 8.389 -3.835 625 1HG2 VAL 79 HG21 VAL 79 -11.829 5.935 -5.756 626 2HG2 VAL 79 HG23 VAL 79 -13.034 7.022 -6.445 627 3HG2 VAL 79 HG22 VAL 79 -11.402 7.607 -6.118 628 H ALA 80 HN ALA 80 -15.611 7.674 -3.307 629 HA ALA 80 HA ALA 80 -15.023 8.485 -0.602 630 1HB ALA 80 HB1 ALA 80 -16.555 9.711 -2.179 631 2HB ALA 80 HB3 ALA 80 -17.729 8.412 -1.968 632 3HB ALA 80 HB2 ALA 80 -17.263 9.412 -0.592 633 H ALA 81 HN ALA 81 -16.810 5.802 -2.028 634 HA ALA 81 HA ALA 81 -18.102 4.925 0.389 635 1HB ALA 81 HB1 ALA 81 -17.326 3.421 -2.126 636 2HB ALA 81 HB3 ALA 81 -18.328 2.746 -0.841 637 3HB ALA 81 HB2 ALA 81 -18.897 4.136 -1.766 638 H VAL 82 HN VAL 82 -14.955 4.252 -1.079 639 HA VAL 82 HA VAL 82 -14.227 2.133 0.745 640 HB VAL 82 HB VAL 82 -12.393 4.000 -0.791 641 1HG1 VAL 82 HG13 VAL 82 -11.327 2.604 0.972 642 2HG1 VAL 82 HG12 VAL 82 -12.005 1.163 0.216 643 3HG1 VAL 82 HG11 VAL 82 -10.812 2.133 -0.647 644 1HG2 VAL 82 HG21 VAL 82 -14.024 1.613 -1.603 645 2HG2 VAL 82 HG23 VAL 82 -13.700 3.098 -2.498 646 3HG2 VAL 82 HG22 VAL 82 -12.447 1.865 -2.351 647 H PHE 83 HN PHE 83 -13.721 5.648 0.718 648 HA PHE 83 HA PHE 83 -12.126 5.630 3.159 649 1HB PHE 83 HB2 PHE 83 -13.427 7.787 1.497 650 2HB PHE 83 HB1 PHE 83 -12.677 8.159 3.048 651 HD1 PHE 83 HD2 PHE 83 -10.285 6.844 3.333 652 HD2 PHE 83 HD1 PHE 83 -12.071 8.113 -0.362 653 HE1 PHE 83 HE2 PHE 83 -8.051 6.847 2.255 654 HE2 PHE 83 HE1 PHE 83 -9.838 8.114 -1.440 655 HZ PHE 83 HZ PHE 83 -7.828 7.482 -0.132 656 H ALA 84 HN ALA 84 -15.529 5.993 2.340 657 HA ALA 84 HA ALA 84 -16.405 7.011 4.884 658 1HB ALA 84 HB1 ALA 84 -17.902 5.382 2.808 659 2HB ALA 84 HB3 ALA 84 -18.651 6.240 4.155 660 3HB ALA 84 HB2 ALA 84 -17.824 7.142 2.885 661 H TYR 85 HN TYR 85 -15.867 3.756 3.619 662 HA TYR 85 HA TYR 85 -17.059 2.391 5.884 663 1HB TYR 85 HB2 TYR 85 -16.610 1.441 3.533 664 2HB TYR 85 HB1 TYR 85 -14.940 1.244 4.063 665 HD1 TYR 85 HD1 TYR 85 -18.444 0.215 4.669 666 HD2 TYR 85 HD2 TYR 85 -14.322 -0.429 5.689 667 HE1 TYR 85 HE1 TYR 85 -19.062 -1.881 5.842 668 HE2 TYR 85 HE2 TYR 85 -14.939 -2.525 6.862 669 HH TYR 85 HH TYR 85 -18.268 -3.395 7.437 670 H ALA 86 HN ALA 86 -13.829 3.552 5.076 671 HA ALA 86 HA ALA 86 -12.457 2.201 7.226 672 1HB ALA 86 HB3 ALA 86 -11.739 4.739 5.724 673 2HB ALA 86 HB2 ALA 86 -10.647 3.841 6.779 674 3HB ALA 86 HB1 ALA 86 -11.241 3.104 5.291 675 H LYS 87 HN LYS 87 -14.249 5.211 6.972 676 HA LYS 87 HA LYS 87 -13.319 6.401 9.420 677 1HB LYS 87 HB2 LYS 87 -15.778 6.768 7.710 678 2HB LYS 87 HB1 LYS 87 -15.597 7.630 9.239 679 1HG LYS 87 HG2 LYS 87 -13.433 8.547 8.457 680 2HG LYS 87 HG1 LYS 87 -13.648 7.713 6.917 681 1HD LYS 87 HD2 LYS 87 -15.556 9.030 6.355 682 2HD LYS 87 HD1 LYS 87 -15.693 9.661 7.996 683 1HE LYS 87 HE2 LYS 87 -13.299 10.163 6.210 684 2HE LYS 87 HE1 LYS 87 -14.662 11.274 6.347 685 1HZ LYS 87 HZ3 LYS 87 -13.203 10.322 8.733 686 2HZ LYS 87 HZ2 LYS 87 -12.663 11.667 7.846 687 3HZ LYS 87 HZ1 LYS 87 -14.198 11.687 8.574 688 H GLN 88 HN GLN 88 -16.087 4.300 8.644 689 HA GLN 88 HA GLN 88 -17.214 4.304 11.288 690 1HB GLN 88 HB2 GLN 88 -17.415 2.379 8.964 691 2HB GLN 88 HB1 GLN 88 -18.278 2.118 10.480 692 1HG GLN 88 HG2 GLN 88 -19.273 4.417 10.224 693 2HG GLN 88 HG1 GLN 88 -18.541 4.496 8.620 694 1HE2 GLN 88 HE22 GLN 88 -20.637 1.606 7.539 695 2HE2 GLN 88 HE21 GLN 88 -18.971 1.921 7.631 696 H HIS 89 HN HIS 89 -14.595 2.527 9.793 697 HA HIS 89 HA HIS 89 -14.243 1.000 12.345 698 1HB HIS 89 HB2 HIS 89 -13.662 0.235 9.479 699 2HB HIS 89 HB1 HIS 89 -12.918 -0.609 10.836 700 HD1 HIS 89 HD1 HIS 89 -14.189 -2.693 11.312 701 HD2 HIS 89 HD2 HIS 89 -16.732 0.425 10.219 702 HE1 HIS 89 HE1 HIS 89 -16.547 -3.606 11.463 703 HA PRO 90 HA PRO 90 -10.558 3.746 12.046 704 1HB PRO 90 HB2 PRO 90 -10.542 4.197 14.811 705 2HB PRO 90 HB1 PRO 90 -11.237 5.269 13.588 706 1HG PRO 90 HG2 PRO 90 -12.607 3.736 15.579 707 2HG PRO 90 HG1 PRO 90 -13.296 4.825 14.367 708 1HD PRO 90 HD2 PRO 90 -13.215 1.903 14.380 709 2HD PRO 90 HD1 PRO 90 -14.172 2.993 13.363 710 H ASP 91 HN ASP 91 -11.351 0.962 13.981 711 HA ASP 91 HA ASP 91 -8.754 0.530 15.158 712 1HB ASP 91 HB2 ASP 91 -10.979 -0.562 15.824 713 2HB ASP 91 HB1 ASP 91 -10.740 -1.638 14.446 714 H GLN 92 HN GLN 92 -10.133 -0.132 12.017 715 HA GLN 92 HA GLN 92 -7.799 -1.812 11.268 716 1HB GLN 92 HB2 GLN 92 -10.325 -1.118 9.735 717 2HB GLN 92 HB1 GLN 92 -9.063 -2.216 9.172 718 1HG GLN 92 HG2 GLN 92 -9.438 -3.598 11.239 719 2HG GLN 92 HG1 GLN 92 -10.815 -2.563 11.622 720 1HE2 GLN 92 HE22 GLN 92 -11.142 -4.798 8.175 721 2HE2 GLN 92 HE21 GLN 92 -9.643 -4.104 8.566 722 H GLU 93 HN GLU 93 -7.159 -1.267 8.801 723 HA GLU 93 HA GLU 93 -6.942 1.683 8.463 724 1HB GLU 93 HB2 GLU 93 -4.671 -0.298 8.650 725 2HB GLU 93 HB1 GLU 93 -4.488 1.230 7.787 726 1HG GLU 93 HG2 GLU 93 -5.495 1.075 10.635 727 2HG GLU 93 HG1 GLU 93 -3.787 1.268 10.236 728 H LEU 94 HN LEU 94 -6.111 2.213 6.222 729 HA LEU 94 HA LEU 94 -7.315 0.319 4.277 730 1HB LEU 94 HB2 LEU 94 -7.858 2.851 4.391 731 2HB LEU 94 HB1 LEU 94 -6.277 3.079 3.641 732 HG LEU 94 HG LEU 94 -7.056 1.357 1.890 733 1HD1 LEU 94 HD12 LEU 94 -9.668 2.051 3.257 734 2HD1 LEU 94 HD11 LEU 94 -9.581 1.371 1.632 735 3HD1 LEU 94 HD13 LEU 94 -8.981 0.446 3.006 736 1HD2 LEU 94 HD22 LEU 94 -8.129 4.154 2.213 737 2HD2 LEU 94 HD21 LEU 94 -6.870 3.572 1.124 738 3HD2 LEU 94 HD23 LEU 94 -8.561 3.195 0.797 739 H VAL 95 HN VAL 95 -6.043 -0.888 2.954 740 HA VAL 95 HA VAL 95 -3.209 -0.034 2.544 741 HB VAL 95 HB VAL 95 -4.119 -2.888 3.017 742 1HG1 VAL 95 HG11 VAL 95 -1.421 -1.566 2.643 743 2HG1 VAL 95 HG13 VAL 95 -1.611 -3.198 3.283 744 3HG1 VAL 95 HG12 VAL 95 -2.148 -2.825 1.645 745 1HG2 VAL 95 HG23 VAL 95 -2.844 -0.839 4.845 746 2HG2 VAL 95 HG22 VAL 95 -4.329 -1.751 5.114 747 3HG2 VAL 95 HG21 VAL 95 -2.769 -2.572 5.167 748 H ILE 96 HN ILE 96 -2.572 -0.137 0.429 749 HA ILE 96 HA ILE 96 -4.509 -1.306 -1.518 750 HB ILE 96 HB ILE 96 -2.218 0.608 -2.049 751 1HG1 ILE 96 HG12 ILE 96 -3.880 1.636 -0.535 752 2HG1 ILE 96 HG11 ILE 96 -3.948 2.372 -2.134 753 1HG2 ILE 96 HG23 ILE 96 -3.085 -0.785 -3.958 754 2HG2 ILE 96 HG22 ILE 96 -4.666 -0.047 -3.711 755 3HG2 ILE 96 HG21 ILE 96 -3.292 0.950 -4.189 756 1HD1 ILE 96 HD13 ILE 96 -5.844 0.796 -2.688 757 2HD1 ILE 96 HD12 ILE 96 -5.842 0.293 -0.998 758 3HD1 ILE 96 HD11 ILE 96 -6.222 1.963 -1.421 759 H ALA 97 HN ALA 97 -3.944 -3.184 -2.490 760 HA ALA 97 HA ALA 97 -1.068 -3.998 -2.415 761 1HB ALA 97 HB1 ALA 97 -3.650 -5.507 -2.245 762 2HB ALA 97 HB3 ALA 97 -2.255 -6.311 -2.964 763 3HB ALA 97 HB2 ALA 97 -2.172 -5.713 -1.307 764 H GLY 98 HN GLY 98 -3.844 -3.452 -4.473 765 1HA GLY 98 HA2 GLY 98 -2.504 -2.927 -6.832 766 2HA GLY 98 HA1 GLY 98 -2.674 -4.684 -6.842 767 H GLY 99 HN GLY 99 -5.715 -3.513 -8.564 768 1HA GLY 99 HA2 GLY 99 -2.930 -4.384 -8.908 769 2HA GLY 99 HA1 GLY 99 -4.093 -4.082 -10.201 770 H ALA 100 HN ALA 100 -2.466 -2.832 -11.330 771 HA ALA 100 HA ALA 100 -1.169 -0.540 -10.185 772 1HB ALA 100 HB3 ALA 100 -1.727 -1.451 -13.001 773 2HB ALA 100 HB2 ALA 100 -1.009 0.131 -12.698 774 3HB ALA 100 HB1 ALA 100 -0.178 -1.332 -12.167 775 H GLN 101 HN GLN 101 -4.290 -1.020 -11.740 776 HA GLN 101 HA GLN 101 -4.901 1.788 -12.074 777 1HB GLN 101 HB2 GLN 101 -6.019 -0.291 -13.182 778 2HB GLN 101 HB1 GLN 101 -6.989 -0.353 -11.709 779 1HG GLN 101 HG2 GLN 101 -7.884 1.826 -12.088 780 2HG GLN 101 HG1 GLN 101 -6.696 2.174 -13.344 781 1HE2 GLN 101 HE21 GLN 101 -9.567 0.166 -12.625 782 2HE2 GLN 101 HE22 GLN 101 -9.966 -0.129 -14.250 783 H ILE 102 HN ILE 102 -5.297 -0.543 -9.466 784 HA ILE 102 HA ILE 102 -7.065 1.112 -7.870 785 HB ILE 102 HB ILE 102 -5.221 -1.107 -6.942 786 1HG1 ILE 102 HG12 ILE 102 -6.655 -1.871 -8.805 787 2HG1 ILE 102 HG11 ILE 102 -7.157 -2.604 -7.283 788 1HG2 ILE 102 HG21 ILE 102 -7.795 0.022 -5.801 789 2HG2 ILE 102 HG23 ILE 102 -6.895 -1.342 -5.137 790 3HG2 ILE 102 HG22 ILE 102 -6.179 0.269 -5.140 791 1HD1 ILE 102 HD11 ILE 102 -8.896 -0.792 -7.068 792 2HD1 ILE 102 HD13 ILE 102 -8.463 -0.257 -8.691 793 3HD1 ILE 102 HD12 ILE 102 -9.149 -1.862 -8.445 794 H PHE 103 HN PHE 103 -3.561 0.669 -8.088 795 HA PHE 103 HA PHE 103 -2.846 2.151 -5.748 796 1HB PHE 103 HB2 PHE 103 -1.415 1.529 -8.331 797 2HB PHE 103 HB1 PHE 103 -0.668 2.539 -7.095 798 HD1 PHE 103 HD2 PHE 103 -1.281 1.437 -4.575 799 HD2 PHE 103 HD1 PHE 103 -0.626 -0.659 -8.266 800 HE1 PHE 103 HE2 PHE 103 -0.630 -0.592 -3.307 801 HE2 PHE 103 HE1 PHE 103 0.024 -2.689 -6.999 802 HZ PHE 103 HZ PHE 103 0.022 -2.655 -4.519 803 H THR 104 HN THR 104 -2.904 3.204 -9.175 804 HA THR 104 HA THR 104 -2.440 5.968 -8.619 805 HB THR 104 HB THR 104 -4.077 4.999 -10.960 806 HG1 THR 104 HG1 THR 104 -2.303 4.185 -11.864 807 1HG2 THR 104 HG22 THR 104 -1.988 7.159 -10.568 808 2HG2 THR 104 HG21 THR 104 -2.759 6.776 -12.108 809 3HG2 THR 104 HG23 THR 104 -3.724 7.404 -10.771 810 H ALA 105 HN ALA 105 -5.273 3.998 -8.317 811 HA ALA 105 HA ALA 105 -7.254 6.085 -8.514 812 1HB ALA 105 HB1 ALA 105 -7.680 3.580 -8.632 813 2HB ALA 105 HB3 ALA 105 -7.468 3.543 -6.882 814 3HB ALA 105 HB2 ALA 105 -8.783 4.480 -7.591 815 H PHE 106 HN PHE 106 -5.331 4.765 -5.848 816 HA PHE 106 HA PHE 106 -6.484 6.874 -4.067 817 1HB PHE 106 HB2 PHE 106 -5.295 4.160 -3.462 818 2HB PHE 106 HB1 PHE 106 -5.529 5.384 -2.214 819 HD1 PHE 106 HD2 PHE 106 -7.818 6.210 -1.678 820 HD2 PHE 106 HD1 PHE 106 -7.154 2.963 -4.411 821 HE1 PHE 106 HE2 PHE 106 -10.205 5.565 -1.491 822 HE2 PHE 106 HE1 PHE 106 -9.542 2.318 -4.223 823 HZ PHE 106 HZ PHE 106 -11.067 3.618 -2.763 824 H LYS 107 HN LYS 107 -4.102 6.837 -6.062 825 HA LYS 107 HA LYS 107 -1.698 7.073 -4.499 826 1HB LYS 107 HB2 LYS 107 -0.791 8.231 -6.517 827 2HB LYS 107 HB1 LYS 107 -1.588 6.708 -6.911 828 1HG LYS 107 HG2 LYS 107 -2.655 8.000 -8.470 829 2HG LYS 107 HG1 LYS 107 -3.700 8.392 -7.105 830 1HD LYS 107 HD2 LYS 107 -2.787 10.493 -6.825 831 2HD LYS 107 HD1 LYS 107 -1.211 10.005 -7.453 832 1HE LYS 107 HE2 LYS 107 -2.010 10.035 -9.718 833 2HE LYS 107 HE1 LYS 107 -3.683 10.211 -9.189 834 1HZ LYS 107 HZ2 LYS 107 -3.050 12.359 -8.190 835 2HZ LYS 107 HZ1 LYS 107 -1.500 12.195 -8.865 836 3HZ LYS 107 HZ3 LYS 107 -2.854 12.331 -9.878 837 H ASP 108 HN ASP 108 -4.352 9.229 -5.127 838 HA ASP 108 HA ASP 108 -2.962 11.692 -4.494 839 1HB ASP 108 HB2 ASP 108 -5.219 11.376 -5.739 840 2HB ASP 108 HB1 ASP 108 -5.924 11.260 -4.125 841 H ASP 109 HN ASP 109 -5.061 9.483 -2.636 842 HA ASP 109 HA ASP 109 -4.435 10.987 -0.156 843 1HB ASP 109 HB2 ASP 109 -6.375 8.762 -0.817 844 2HB ASP 109 HB1 ASP 109 -6.063 9.274 0.843 845 H VAL 110 HN VAL 110 -2.273 9.586 -1.406 846 HA VAL 110 HA VAL 110 -1.904 7.101 0.144 847 HB VAL 110 HB VAL 110 -1.146 7.190 -2.205 848 1HG1 VAL 110 HG13 VAL 110 -0.557 9.697 -1.998 849 2HG1 VAL 110 HG12 VAL 110 0.985 9.144 -1.342 850 3HG1 VAL 110 HG11 VAL 110 0.509 8.689 -2.978 851 1HG2 VAL 110 HG23 VAL 110 0.146 6.008 -0.188 852 2HG2 VAL 110 HG22 VAL 110 0.787 5.978 -1.830 853 3HG2 VAL 110 HG21 VAL 110 1.414 7.138 -0.659 854 H ASP 111 HN ASP 111 -0.177 6.842 1.677 855 HA ASP 111 HA ASP 111 1.032 9.382 2.680 856 1HB ASP 111 HB2 ASP 111 -0.306 7.213 4.325 857 2HB ASP 111 HB1 ASP 111 0.665 8.517 5.009 858 H THR 112 HN THR 112 1.102 5.862 3.368 859 HA THR 112 HA THR 112 4.049 6.022 3.642 860 HB THR 112 HB THR 112 2.320 3.568 4.004 861 HG1 THR 112 HG1 THR 112 2.524 4.301 6.295 862 1HG2 THR 112 HG22 THR 112 5.026 4.452 5.034 863 2HG2 THR 112 HG21 THR 112 4.175 3.024 5.623 864 3HG2 THR 112 HG23 THR 112 4.688 3.113 3.937 865 H LEU 113 HN LEU 113 5.393 4.416 2.487 866 HA LEU 113 HA LEU 113 4.167 3.333 0.000 867 1HB LEU 113 HB2 LEU 113 6.503 5.238 0.186 868 2HB LEU 113 HB1 LEU 113 6.298 4.162 -1.198 869 HG LEU 113 HG LEU 113 4.059 5.948 -0.245 870 1HD1 LEU 113 HD13 LEU 113 6.212 6.584 -2.288 871 2HD1 LEU 113 HD12 LEU 113 4.769 7.555 -1.994 872 3HD1 LEU 113 HD11 LEU 113 5.992 7.389 -0.734 873 1HD2 LEU 113 HD22 LEU 113 4.723 4.387 -2.742 874 2HD2 LEU 113 HD21 LEU 113 3.274 4.291 -1.743 875 3HD2 LEU 113 HD23 LEU 113 3.544 5.697 -2.771 876 H LEU 114 HN LEU 114 4.459 1.206 0.723 877 HA LEU 114 HA LEU 114 7.172 0.368 1.586 878 1HB LEU 114 HB2 LEU 114 4.534 -1.126 1.473 879 2HB LEU 114 HB1 LEU 114 6.049 -1.814 2.059 880 HG LEU 114 HG LEU 114 4.970 0.757 3.207 881 1HD1 LEU 114 HD13 LEU 114 3.191 -0.948 3.410 882 2HD1 LEU 114 HD12 LEU 114 4.347 -2.063 4.140 883 3HD1 LEU 114 HD11 LEU 114 3.901 -0.579 4.982 884 1HD2 LEU 114 HD22 LEU 114 6.951 -1.374 4.006 885 2HD2 LEU 114 HD21 LEU 114 7.195 0.369 3.891 886 3HD2 LEU 114 HD23 LEU 114 6.243 -0.302 5.216 887 H VAL 115 HN VAL 115 8.462 0.144 -0.214 888 HA VAL 115 HA VAL 115 7.358 -1.400 -2.520 889 HB VAL 115 HB VAL 115 8.164 0.869 -3.071 890 1HG1 VAL 115 HG12 VAL 115 9.839 1.021 -1.233 891 2HG1 VAL 115 HG11 VAL 115 10.860 -0.126 -2.102 892 3HG1 VAL 115 HG13 VAL 115 10.518 1.457 -2.801 893 1HG2 VAL 115 HG21 VAL 115 8.503 -1.191 -4.600 894 2HG2 VAL 115 HG23 VAL 115 9.435 0.260 -4.972 895 3HG2 VAL 115 HG22 VAL 115 10.202 -1.089 -4.134 896 H THR 116 HN THR 116 8.312 -3.330 -3.070 897 HA THR 116 HA THR 116 10.589 -4.236 -1.361 898 HB THR 116 HB THR 116 8.716 -5.970 -2.991 899 HG1 THR 116 HG1 THR 116 8.328 -6.056 -0.337 900 1HG2 THR 116 HG23 THR 116 10.685 -6.476 -0.750 901 2HG2 THR 116 HG22 THR 116 9.500 -7.668 -1.281 902 3HG2 THR 116 HG21 THR 116 10.747 -7.108 -2.395 903 H ARG 117 HN ARG 117 12.421 -3.720 -2.514 904 HA ARG 117 HA ARG 117 12.502 -4.073 -5.435 905 1HB ARG 117 HB2 ARG 117 14.454 -3.061 -3.367 906 2HB ARG 117 HB1 ARG 117 14.964 -3.380 -5.026 907 1HG ARG 117 HG2 ARG 117 12.491 -1.752 -4.601 908 2HG ARG 117 HG1 ARG 117 14.053 -0.984 -4.314 909 1HD ARG 117 HD2 ARG 117 13.501 -2.536 -6.844 910 2HD ARG 117 HD1 ARG 117 13.091 -0.826 -6.702 911 HE ARG 117 HE ARG 117 15.862 -1.503 -5.985 912 1HH1 ARG 117 HH21 ARG 117 13.621 -0.454 -8.423 913 2HH1 ARG 117 HH22 ARG 117 14.847 0.277 -9.404 914 1HH2 ARG 117 HH11 ARG 117 17.444 -0.551 -7.266 915 2HH2 ARG 117 HH12 ARG 117 17.001 0.222 -8.751 916 H LEU 118 HN LEU 118 13.781 -5.625 -6.506 917 HA LEU 118 HA LEU 118 14.925 -7.785 -4.782 918 1HB LEU 118 HB2 LEU 118 12.887 -7.923 -6.912 919 2HB LEU 118 HB1 LEU 118 14.195 -9.091 -7.096 920 HG LEU 118 HG LEU 118 13.821 -9.623 -4.598 921 1HD1 LEU 118 HD12 LEU 118 11.234 -8.188 -5.269 922 2HD1 LEU 118 HD11 LEU 118 11.499 -9.165 -3.825 923 3HD1 LEU 118 HD13 LEU 118 12.424 -7.684 -4.069 924 1HD2 LEU 118 HD21 LEU 118 11.824 -10.285 -6.775 925 2HD2 LEU 118 HD23 LEU 118 13.206 -11.246 -6.249 926 3HD2 LEU 118 HD22 LEU 118 11.803 -11.071 -5.196 927 H ALA 119 HN ALA 119 16.998 -8.332 -5.304 928 HA ALA 119 HA ALA 119 18.444 -6.809 -7.286 929 1HB ALA 119 HB3 ALA 119 19.417 -7.785 -5.158 930 2HB ALA 119 HB2 ALA 119 19.347 -9.366 -5.936 931 3HB ALA 119 HB1 ALA 119 20.366 -8.095 -6.612 932 H GLY 120 HN GLY 120 17.025 -10.041 -7.210 933 1HA GLY 120 HA2 GLY 120 18.247 -10.997 -9.636 934 2HA GLY 120 HA1 GLY 120 16.789 -11.660 -8.897 935 H SER 121 HN SER 121 17.731 -10.539 -11.727 936 HA SER 121 HA SER 121 15.667 -8.543 -12.285 937 1HB SER 121 HB2 SER 121 17.721 -8.420 -13.557 938 2HB SER 121 HB1 SER 121 17.562 -10.098 -14.069 939 HG SER 121 HG SER 121 15.387 -8.485 -14.604 940 H PHE 122 HN PHE 122 13.689 -8.912 -13.268 941 HA PHE 122 HA PHE 122 13.050 -11.630 -14.260 942 1HB PHE 122 HB2 PHE 122 11.547 -10.241 -12.022 943 2HB PHE 122 HB1 PHE 122 10.945 -11.654 -12.888 944 HD1 PHE 122 HD1 PHE 122 12.419 -13.763 -12.921 945 HD2 PHE 122 HD2 PHE 122 13.044 -10.487 -10.213 946 HE1 PHE 122 HE1 PHE 122 13.753 -15.240 -11.441 947 HE2 PHE 122 HE2 PHE 122 14.378 -11.964 -8.735 948 HZ PHE 122 HZ PHE 122 14.732 -14.341 -9.348 949 H GLU 123 HN GLU 123 11.912 -11.418 -16.122 950 HA GLU 123 HA GLU 123 10.677 -8.777 -16.724 951 1HB GLU 123 HB2 GLU 123 11.555 -11.099 -18.451 952 2HB GLU 123 HB1 GLU 123 10.566 -9.783 -19.082 953 1HG GLU 123 HG2 GLU 123 12.253 -8.168 -18.675 954 2HG GLU 123 HG1 GLU 123 13.144 -9.251 -17.605 955 H GLY 124 HN GLY 124 8.492 -8.634 -17.359 956 1HA GLY 124 HA2 GLY 124 6.859 -11.113 -17.303 957 2HA GLY 124 HA1 GLY 124 6.448 -9.834 -16.158 958 H ASP 125 HN ASP 125 4.754 -8.665 -16.885 959 HA ASP 125 HA ASP 125 4.785 -7.687 -19.687 960 1HB ASP 125 HB2 ASP 125 2.361 -8.285 -19.931 961 2HB ASP 125 HB1 ASP 125 3.417 -9.695 -19.828 962 H THR 126 HN THR 126 3.574 -7.506 -16.396 963 HA THR 126 HA THR 126 2.376 -4.837 -16.954 964 HB THR 126 HB THR 126 2.274 -6.306 -14.319 965 HG1 THR 126 HG1 THR 126 0.070 -6.819 -15.429 966 1HG2 THR 126 HG22 THR 126 1.553 -3.919 -14.467 967 2HG2 THR 126 HG21 THR 126 0.355 -4.392 -15.673 968 3HG2 THR 126 HG23 THR 126 0.238 -5.008 -14.024 969 H LYS 127 HN LYS 127 3.184 -2.978 -15.968 970 HA LYS 127 HA LYS 127 5.734 -3.318 -14.437 971 1HB LYS 127 HB2 LYS 127 4.900 -1.071 -16.299 972 2HB LYS 127 HB1 LYS 127 6.394 -1.106 -15.362 973 1HG LYS 127 HG2 LYS 127 6.989 -3.261 -16.505 974 2HG LYS 127 HG1 LYS 127 5.568 -3.056 -17.530 975 1HD LYS 127 HD2 LYS 127 6.441 -1.112 -18.554 976 2HD LYS 127 HD1 LYS 127 7.649 -0.886 -17.289 977 1HE LYS 127 HE2 LYS 127 8.966 -2.693 -18.063 978 2HE LYS 127 HE1 LYS 127 7.646 -3.348 -19.032 979 1HZ LYS 127 HZ1 LYS 127 7.773 -1.380 -20.445 980 2HZ LYS 127 HZ3 LYS 127 9.072 -0.790 -19.527 981 3HZ LYS 127 HZ2 LYS 127 9.249 -2.222 -20.424 982 H MET 128 HN MET 128 6.159 -1.149 -13.142 983 HA MET 128 HA MET 128 3.718 -0.689 -11.516 984 1HB MET 128 HB2 MET 128 6.230 -1.241 -10.714 985 2HB MET 128 HB1 MET 128 6.330 0.520 -10.752 986 1HG MET 128 HG2 MET 128 3.979 -0.813 -9.435 987 2HG MET 128 HG1 MET 128 5.505 -0.665 -8.563 988 1HE MET 128 HE1 MET 128 3.134 0.513 -7.267 989 2HE MET 128 HE3 MET 128 2.560 2.118 -7.740 990 3HE MET 128 HE2 MET 128 2.246 0.727 -8.774 991 H ILE 129 HN ILE 129 2.900 1.407 -11.146 992 HA ILE 129 HA ILE 129 3.230 3.303 -13.297 993 HB ILE 129 HB ILE 129 1.782 4.770 -11.869 994 1HG1 ILE 129 HG12 ILE 129 1.790 2.433 -9.940 995 2HG1 ILE 129 HG11 ILE 129 2.793 3.864 -9.707 996 1HG2 ILE 129 HG23 ILE 129 0.996 1.873 -12.269 997 2HG2 ILE 129 HG22 ILE 129 -0.151 3.122 -11.783 998 3HG2 ILE 129 HG21 ILE 129 0.668 3.234 -13.341 999 1HD1 ILE 129 HD12 ILE 129 0.615 5.216 -9.974 1000 2HD1 ILE 129 HD11 ILE 129 -0.220 3.679 -9.740 1001 3HD1 ILE 129 HD13 ILE 129 0.822 4.320 -8.470 1002 HA PRO 130 HA PRO 130 6.480 5.878 -11.687 1003 1HB PRO 130 HB2 PRO 130 5.570 8.352 -12.639 1004 2HB PRO 130 HB1 PRO 130 6.532 7.178 -13.547 1005 1HG PRO 130 HG2 PRO 130 3.811 7.948 -13.983 1006 2HG PRO 130 HG1 PRO 130 4.785 6.792 -14.902 1007 1HD PRO 130 HD2 PRO 130 2.707 6.274 -12.913 1008 2HD PRO 130 HD1 PRO 130 3.451 5.159 -14.070 1009 H LEU 131 HN LEU 131 6.345 6.021 -9.447 1010 HA LEU 131 HA LEU 131 4.246 7.661 -8.185 1011 1HB LEU 131 HB2 LEU 131 6.559 6.077 -7.029 1012 2HB LEU 131 HB1 LEU 131 5.360 6.935 -6.062 1013 HG LEU 131 HG LEU 131 4.607 4.852 -8.122 1014 1HD1 LEU 131 HD11 LEU 131 6.101 4.009 -6.206 1015 2HD1 LEU 131 HD13 LEU 131 4.756 4.406 -5.136 1016 3HD1 LEU 131 HD12 LEU 131 4.546 3.204 -6.409 1017 1HD2 LEU 131 HD23 LEU 131 3.201 6.373 -5.932 1018 2HD2 LEU 131 HD22 LEU 131 2.717 6.158 -7.614 1019 3HD2 LEU 131 HD21 LEU 131 2.578 4.817 -6.479 1020 H ASN 132 HN ASN 132 4.639 9.615 -7.101 1021 HA ASN 132 HA ASN 132 6.974 11.125 -8.025 1022 1HB ASN 132 HB2 ASN 132 4.532 11.981 -7.663 1023 2HB ASN 132 HB1 ASN 132 5.007 12.114 -5.971 1024 1HD2 ASN 132 HD21 ASN 132 6.687 13.682 -5.418 1025 2HD2 ASN 132 HD22 ASN 132 7.155 14.895 -6.509 1026 H TRP 133 HN TRP 133 8.675 9.935 -6.943 1027 HA TRP 133 HA TRP 133 8.726 9.626 -4.064 1028 1HB TRP 133 HB2 TRP 133 10.973 9.557 -6.101 1029 2HB TRP 133 HB1 TRP 133 11.119 9.052 -4.417 1030 HD1 TRP 133 HD1 TRP 133 9.862 7.922 -7.777 1031 HE1 TRP 133 HE1 TRP 133 8.951 5.518 -7.596 1032 HE3 TRP 133 HE3 TRP 133 9.876 7.354 -2.702 1033 HZ2 TRP 133 HZ2 TRP 133 8.312 3.606 -5.566 1034 HZ3 TRP 133 HZ3 TRP 133 9.112 5.234 -1.672 1035 HH2 TRP 133 HH2 TRP 133 8.331 3.360 -3.096 1036 H ASP 134 HN ASP 134 9.260 12.293 -6.135 1037 HA ASP 134 HA ASP 134 11.216 13.692 -4.505 1038 1HB ASP 134 HB2 ASP 134 9.507 14.327 -6.860 1039 2HB ASP 134 HB1 ASP 134 10.054 15.690 -5.884 1040 H ASP 135 HN ASP 135 8.304 12.735 -3.569 1041 HA ASP 135 HA ASP 135 7.854 15.184 -1.924 1042 1HB ASP 135 HB2 ASP 135 5.874 13.668 -3.602 1043 2HB ASP 135 HB1 ASP 135 5.334 14.450 -2.116 1044 H PHE 136 HN PHE 136 9.216 12.629 -1.363 1045 HA PHE 136 HA PHE 136 7.584 11.837 0.993 1046 1HB PHE 136 HB2 PHE 136 8.710 9.979 -1.110 1047 2HB PHE 136 HB1 PHE 136 8.314 9.424 0.517 1048 HD1 PHE 136 HD2 PHE 136 5.966 9.596 1.362 1049 HD2 PHE 136 HD1 PHE 136 6.997 10.473 -2.714 1050 HE1 PHE 136 HE2 PHE 136 3.577 9.415 0.718 1051 HE2 PHE 136 HE1 PHE 136 4.609 10.292 -3.358 1052 HZ PHE 136 HZ PHE 136 2.899 9.763 -1.641 1053 H THR 137 HN THR 137 9.042 10.340 2.436 1054 HA THR 137 HA THR 137 11.922 10.990 2.201 1055 HB THR 137 HB THR 137 10.435 11.582 4.769 1056 HG1 THR 137 HG1 THR 137 9.667 13.006 3.232 1057 1HG2 THR 137 HG23 THR 137 12.884 11.153 4.866 1058 2HG2 THR 137 HG22 THR 137 13.136 12.462 3.712 1059 3HG2 THR 137 HG21 THR 137 12.477 12.811 5.310 1060 H LYS 138 HN LYS 138 13.183 9.351 3.028 1061 HA LYS 138 HA LYS 138 11.909 6.859 3.763 1062 1HB LYS 138 HB2 LYS 138 14.176 7.183 2.587 1063 2HB LYS 138 HB1 LYS 138 14.825 7.527 4.190 1064 1HG LYS 138 HG2 LYS 138 14.123 5.353 5.006 1065 2HG LYS 138 HG1 LYS 138 13.288 5.011 3.490 1066 1HD LYS 138 HD2 LYS 138 16.251 5.601 3.601 1067 2HD LYS 138 HD1 LYS 138 15.608 3.966 3.748 1068 1HE LYS 138 HE2 LYS 138 14.331 4.456 1.568 1069 2HE LYS 138 HE1 LYS 138 15.399 5.849 1.397 1070 1HZ LYS 138 HZ1 LYS 138 16.583 3.231 1.979 1071 2HZ LYS 138 HZ3 LYS 138 16.042 3.539 0.401 1072 3HZ LYS 138 HZ2 LYS 138 17.224 4.538 1.103 1073 H VAL 139 HN VAL 139 12.186 5.745 5.826 1074 HA VAL 139 HA VAL 139 12.931 7.443 8.143 1075 HB VAL 139 HB VAL 139 10.818 6.773 9.318 1076 1HG1 VAL 139 HG11 VAL 139 11.202 8.946 7.934 1077 2HG1 VAL 139 HG13 VAL 139 10.112 8.205 6.762 1078 3HG1 VAL 139 HG12 VAL 139 9.553 8.533 8.402 1079 1HG2 VAL 139 HG22 VAL 139 10.078 5.810 6.535 1080 2HG2 VAL 139 HG21 VAL 139 10.257 4.807 7.974 1081 3HG2 VAL 139 HG23 VAL 139 8.942 5.978 7.874 1082 H SER 140 HN SER 140 12.033 4.269 6.864 1083 HA SER 140 HA SER 140 13.943 3.023 8.749 1084 1HB SER 140 HB2 SER 140 10.988 2.435 8.650 1085 2HB SER 140 HB1 SER 140 12.137 1.200 9.158 1086 HG SER 140 HG SER 140 11.920 3.815 10.255 1087 H SER 141 HN SER 141 14.366 0.719 8.110 1088 HA SER 141 HA SER 141 13.459 -0.149 5.464 1089 1HB SER 141 HB2 SER 141 15.293 1.509 4.978 1090 2HB SER 141 HB1 SER 141 16.398 0.470 5.872 1091 HG SER 141 HG SER 141 16.457 -0.835 4.226 1092 H ARG 142 HN ARG 142 14.229 -2.337 4.980 1093 HA ARG 142 HA ARG 142 15.602 -3.740 7.211 1094 1HB ARG 142 HB2 ARG 142 13.058 -3.849 7.483 1095 2HB ARG 142 HB1 ARG 142 13.045 -4.823 6.013 1096 1HG ARG 142 HG2 ARG 142 14.324 -6.552 7.012 1097 2HG ARG 142 HG1 ARG 142 14.818 -5.519 8.354 1098 1HD ARG 142 HD2 ARG 142 12.288 -5.374 8.901 1099 2HD ARG 142 HD1 ARG 142 12.126 -6.778 7.847 1100 HE ARG 142 HE ARG 142 14.183 -7.065 9.915 1101 1HH1 ARG 142 HH21 ARG 142 10.850 -7.491 9.035 1102 2HH1 ARG 142 HH22 ARG 142 10.571 -8.724 10.218 1103 1HH2 ARG 142 HH11 ARG 142 13.809 -8.667 11.447 1104 2HH2 ARG 142 HH12 ARG 142 12.239 -9.387 11.576 1105 H THR 143 HN THR 143 17.371 -4.326 5.977 1106 HA THR 143 HA THR 143 17.010 -5.397 3.258 1107 HB THR 143 HB THR 143 19.582 -5.398 4.840 1108 HG1 THR 143 HG1 THR 143 18.087 -3.299 4.305 1109 1HG2 THR 143 HG22 THR 143 19.487 -6.555 2.640 1110 2HG2 THR 143 HG21 THR 143 18.973 -5.043 1.893 1111 3HG2 THR 143 HG23 THR 143 20.575 -5.167 2.618 1112 H VAL 144 HN VAL 144 17.299 -7.562 2.680 1113 HA VAL 144 HA VAL 144 18.023 -9.517 4.781 1114 HB VAL 144 HB VAL 144 15.573 -9.274 4.976 1115 1HG1 VAL 144 HG12 VAL 144 15.247 -8.527 2.589 1116 2HG1 VAL 144 HG11 VAL 144 15.456 -10.208 2.096 1117 3HG1 VAL 144 HG13 VAL 144 14.097 -9.753 3.125 1118 1HG2 VAL 144 HG22 VAL 144 16.812 -11.546 5.117 1119 2HG2 VAL 144 HG21 VAL 144 15.058 -11.581 4.936 1120 3HG2 VAL 144 HG23 VAL 144 16.094 -11.878 3.541 1121 H GLU 145 HN GLU 145 19.305 -11.070 3.896 1122 HA GLU 145 HA GLU 145 19.408 -11.255 0.918 1123 1HB GLU 145 HB2 GLU 145 21.489 -10.684 2.353 1124 2HB GLU 145 HB1 GLU 145 21.464 -12.387 2.815 1125 1HG GLU 145 HG2 GLU 145 21.570 -13.045 0.447 1126 2HG GLU 145 HG1 GLU 145 21.567 -11.348 -0.033 1127 H ASP 146 HN ASP 146 18.465 -13.021 0.041 1128 HA ASP 146 HA ASP 146 17.635 -15.266 1.725 1129 1HB ASP 146 HB2 ASP 146 16.425 -14.231 -0.361 1130 2HB ASP 146 HB1 ASP 146 17.502 -15.282 -1.280 1131 H THR 147 HN THR 147 17.997 -17.459 0.065 1132 HA THR 147 HA THR 147 20.743 -18.164 0.621 1133 HB THR 147 HB THR 147 20.052 -20.188 -0.910 1134 HG1 THR 147 HG1 THR 147 17.733 -20.349 -0.908 1135 1HG2 THR 147 HG21 THR 147 18.639 -19.568 1.700 1136 2HG2 THR 147 HG23 THR 147 18.826 -21.174 0.996 1137 3HG2 THR 147 HG22 THR 147 20.245 -20.281 1.540 1138 H ASN 148 HN ASN 148 18.970 -17.283 -2.330 1139 HA ASN 148 HA ASN 148 21.540 -17.358 -3.836 1140 1HB ASN 148 HB2 ASN 148 19.385 -18.559 -4.647 1141 2HB ASN 148 HB1 ASN 148 18.819 -16.942 -5.065 1142 1HD2 ASN 148 HD22 ASN 148 21.468 -18.783 -7.476 1143 2HD2 ASN 148 HD21 ASN 148 20.723 -19.573 -6.171 1144 HA PRO 149 HA PRO 149 22.018 -12.930 -3.647 1145 1HB PRO 149 HB2 PRO 149 22.820 -12.820 -6.436 1146 2HB PRO 149 HB1 PRO 149 23.808 -12.595 -4.987 1147 1HG PRO 149 HG2 PRO 149 23.687 -14.872 -6.726 1148 2HG PRO 149 HG1 PRO 149 24.730 -14.609 -5.322 1149 1HD PRO 149 HD2 PRO 149 22.618 -16.448 -5.496 1150 2HD PRO 149 HD1 PRO 149 23.457 -15.950 -4.020 1151 H ALA 150 HN ALA 150 20.561 -14.269 -6.622 1152 HA ALA 150 HA ALA 150 19.175 -11.901 -7.412 1153 1HB ALA 150 HB3 ALA 150 18.457 -14.811 -7.884 1154 2HB ALA 150 HB2 ALA 150 17.748 -13.442 -8.741 1155 3HB ALA 150 HB1 ALA 150 19.463 -13.808 -8.929 1156 H LEU 151 HN LEU 151 18.417 -14.399 -5.061 1157 HA LEU 151 HA LEU 151 15.643 -13.521 -4.720 1158 1HB LEU 151 HB2 LEU 151 17.435 -15.496 -3.313 1159 2HB LEU 151 HB1 LEU 151 15.869 -15.053 -2.633 1160 HG LEU 151 HG LEU 151 16.219 -16.019 -5.481 1161 1HD1 LEU 151 HD11 LEU 151 16.861 -17.663 -3.563 1162 2HD1 LEU 151 HD13 LEU 151 15.131 -17.689 -3.220 1163 3HD1 LEU 151 HD12 LEU 151 15.727 -18.214 -4.795 1164 1HD2 LEU 151 HD23 LEU 151 13.861 -15.567 -3.633 1165 2HD2 LEU 151 HD22 LEU 151 14.173 -14.802 -5.192 1166 3HD2 LEU 151 HD21 LEU 151 13.737 -16.510 -5.119 1167 H THR 152 HN THR 152 18.074 -11.690 -4.245 1168 HA THR 152 HA THR 152 17.761 -11.056 -1.372 1169 HB THR 152 HB THR 152 19.444 -9.664 -3.477 1170 HG1 THR 152 HG1 THR 152 21.122 -10.919 -2.444 1171 1HG2 THR 152 HG23 THR 152 19.237 -9.515 -0.476 1172 2HG2 THR 152 HG22 THR 152 20.734 -9.082 -1.301 1173 3HG2 THR 152 HG21 THR 152 19.248 -8.197 -1.648 1174 H HIS 153 HN HIS 153 16.629 -9.285 -0.625 1175 HA HIS 153 HA HIS 153 15.703 -7.215 -2.512 1176 1HB HIS 153 HB2 HIS 153 13.316 -7.523 -1.793 1177 2HB HIS 153 HB1 HIS 153 13.937 -8.866 -2.752 1178 HD1 HIS 153 HD1 HIS 153 14.865 -10.967 -1.262 1179 HD2 HIS 153 HD2 HIS 153 12.320 -8.294 0.676 1180 HE1 HIS 153 HE1 HIS 153 14.023 -12.155 0.809 1181 H THR 154 HN THR 154 14.429 -5.499 -1.250 1182 HA THR 154 HA THR 154 15.120 -5.436 1.639 1183 HB THR 154 HB THR 154 15.759 -3.135 -0.226 1184 HG1 THR 154 HG1 THR 154 17.411 -4.331 -0.710 1185 1HG2 THR 154 HG21 THR 154 16.027 -3.683 2.706 1186 2HG2 THR 154 HG23 THR 154 17.229 -2.659 1.920 1187 3HG2 THR 154 HG22 THR 154 15.524 -2.204 1.887 1188 H TYR 155 HN TYR 155 13.468 -4.560 2.815 1189 HA TYR 155 HA TYR 155 11.119 -3.535 1.348 1190 1HB TYR 155 HB2 TYR 155 11.557 -4.159 4.284 1191 2HB TYR 155 HB1 TYR 155 10.024 -3.629 3.591 1192 HD1 TYR 155 HD1 TYR 155 8.825 -5.061 1.946 1193 HD2 TYR 155 HD2 TYR 155 12.368 -6.404 3.968 1194 HE1 TYR 155 HE1 TYR 155 8.309 -7.397 1.297 1195 HE2 TYR 155 HE2 TYR 155 11.852 -8.742 3.320 1196 HH TYR 155 HH TYR 155 10.537 -10.056 2.082 1197 H GLU 156 HN GLU 156 11.502 -1.414 0.757 1198 HA GLU 156 HA GLU 156 12.740 0.465 2.656 1199 1HB GLU 156 HB2 GLU 156 11.643 0.784 -0.151 1200 2HB GLU 156 HB1 GLU 156 12.321 2.119 0.784 1201 1HG GLU 156 HG2 GLU 156 14.414 0.700 1.068 1202 2HG GLU 156 HG1 GLU 156 13.734 -0.394 -0.138 1203 H VAL 157 HN VAL 157 11.592 1.752 4.017 1204 HA VAL 157 HA VAL 157 8.635 1.938 3.590 1205 HB VAL 157 HB VAL 157 10.154 2.188 6.204 1206 1HG1 VAL 157 HG11 VAL 157 7.212 2.003 5.496 1207 2HG1 VAL 157 HG13 VAL 157 7.837 1.849 7.138 1208 3HG1 VAL 157 HG12 VAL 157 8.038 3.363 6.256 1209 1HG2 VAL 157 HG21 VAL 157 8.914 -0.146 4.778 1210 2HG2 VAL 157 HG23 VAL 157 10.402 -0.079 5.724 1211 3HG2 VAL 157 HG22 VAL 157 8.838 -0.082 6.540 1212 H TRP 158 HN TRP 158 8.151 3.920 2.788 1213 HA TRP 158 HA TRP 158 9.749 6.262 3.734 1214 1HB TRP 158 HB2 TRP 158 8.083 5.870 1.230 1215 2HB TRP 158 HB1 TRP 158 8.839 7.397 1.687 1216 HD1 TRP 158 HD1 TRP 158 10.008 3.714 1.332 1217 HE1 TRP 158 HE1 TRP 158 12.326 3.722 0.206 1218 HE3 TRP 158 HE3 TRP 158 10.705 8.743 0.787 1219 HZ2 TRP 158 HZ2 TRP 158 14.226 5.611 -0.795 1220 HZ3 TRP 158 HZ3 TRP 158 12.776 9.619 -0.256 1221 HH2 TRP 158 HH2 TRP 158 14.536 8.061 -1.046 1222 H GLN 159 HN GLN 159 8.456 8.308 3.979 1223 HA GLN 159 HA GLN 159 5.599 7.838 4.667 1224 1HB GLN 159 HB2 GLN 159 7.752 8.903 6.498 1225 2HB GLN 159 HB1 GLN 159 6.050 9.295 6.752 1226 1HG GLN 159 HG2 GLN 159 6.935 6.436 6.390 1227 2HG GLN 159 HG1 GLN 159 7.015 7.214 7.971 1228 1HE2 GLN 159 HE22 GLN 159 3.576 5.623 7.114 1229 2HE2 GLN 159 HE21 GLN 159 5.122 5.060 6.702 1230 H LYS 160 HN LYS 160 4.309 9.559 4.105 1231 HA LYS 160 HA LYS 160 5.455 11.700 2.520 1232 1HB LYS 160 HB2 LYS 160 3.116 10.624 2.292 1233 2HB LYS 160 HB1 LYS 160 2.647 11.672 3.630 1234 1HG LYS 160 HG2 LYS 160 3.225 13.652 2.383 1235 2HG LYS 160 HG1 LYS 160 3.959 12.691 1.098 1236 1HD LYS 160 HD2 LYS 160 1.840 11.807 0.421 1237 2HD LYS 160 HD1 LYS 160 1.043 12.436 1.863 1238 1HE LYS 160 HE2 LYS 160 1.415 14.728 1.121 1239 2HE LYS 160 HE1 LYS 160 2.333 14.159 -0.274 1240 1HZ LYS 160 HZ1 LYS 160 -0.242 12.929 -0.078 1241 2HZ LYS 160 HZ3 LYS 160 -0.352 14.617 -0.199 1242 3HZ LYS 160 HZ2 LYS 160 0.476 13.733 -1.390 1243 H LYS 161 HN LYS 161 5.807 13.836 3.108 1244 HA LYS 161 HA LYS 161 5.030 14.696 5.847 1245 1HB LYS 161 HB2 LYS 161 7.833 14.607 4.722 1246 2HB LYS 161 HB1 LYS 161 7.393 15.708 6.028 1247 1HG LYS 161 HG2 LYS 161 6.547 13.746 7.332 1248 2HG LYS 161 HG1 LYS 161 7.151 12.686 6.057 1249 1HD LYS 161 HD2 LYS 161 9.425 13.417 6.434 1250 2HD LYS 161 HD1 LYS 161 8.887 14.661 7.562 1251 1HE LYS 161 HE2 LYS 161 7.891 12.771 8.961 1252 2HE LYS 161 HE1 LYS 161 8.794 11.661 7.931 1253 1HZ LYS 161 HZ2 LYS 161 9.985 13.901 9.475 1254 2HZ LYS 161 HZ1 LYS 161 10.011 12.270 9.951 1255 3HZ LYS 161 HZ3 LYS 161 10.830 12.755 8.547 1256 H ALA 162 HN ALA 162 4.180 16.717 5.757 1257 HA ALA 162 HA ALA 162 5.207 18.685 3.816 1258 1HB ALA 162 HB1 ALA 162 2.306 17.793 3.815 1259 2HB ALA 162 HB3 ALA 162 2.957 19.147 2.890 1260 3HB ALA 162 HB2 ALA 162 3.474 17.500 2.525 1261 1H9 TMQ 170 H91 TMQ 170 0.010 -10.139 -6.281 1262 2H9 TMQ 170 H92 TMQ 170 -0.929 -10.773 -4.922 1263 HN1 TMQ 170 H1N TMQ 170 0.698 -12.274 -6.691 1264 1H17 TMQ 170 HM1 TMQ 170 -1.181 -8.189 -3.023 1265 2H17 TMQ 170 HM2 TMQ 170 -1.184 -8.818 -4.670 1266 3H17 TMQ 170 HM3 TMQ 170 -0.472 -7.240 -4.337 1267 1H21 TMQ 170 HW11 TMQ 170 -1.950 -12.156 -1.432 1268 2H21 TMQ 170 HW12 TMQ 170 -3.133 -13.375 -0.929 1269 3H21 TMQ 170 HW13 TMQ 170 -2.794 -13.127 -2.649 1270 1H22 TMQ 170 HI1 TMQ 170 1.267 -17.226 -0.685 1271 2H22 TMQ 170 HI2 TMQ 170 1.396 -15.471 -0.882 1272 3H22 TMQ 170 HI3 TMQ 170 2.175 -16.554 -2.047 1273 1H23 TMQ 170 HW21 TMQ 170 1.169 -16.632 -6.478 1274 2H23 TMQ 170 HW22 TMQ 170 2.344 -17.878 -6.031 1275 3H23 TMQ 170 HW23 TMQ 170 2.846 -16.183 -6.131 1276 1HN2 TMQ 170 HN21 TMQ 170 5.587 -7.516 -0.112 1277 2HN2 TMQ 170 HN22 TMQ 170 4.607 -6.160 0.336 1278 1HN5 TMQ 170 HN41 TMQ 170 0.496 -5.479 -1.371 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.276 -6.494 -2.510 1280 HN TMQ 170 H1 TMQ 170 4.798 -9.041 -1.624 1281 H7 TMQ 170 H7 TMQ 170 2.505 -11.674 -4.735 1282 H8 TMQ 170 H8 TMQ 170 4.180 -10.767 -3.190 1283 H12 TMQ 170 HP2 TMQ 170 -1.013 -12.154 -3.496 1284 H16 TMQ 170 HP6 TMQ 170 1.653 -14.405 -6.045 No H/Q in entry = 1284 Start of MODEL 2 1 1H THR 1 HT3 THR 1 -2.592 6.458 4.657 2 2H THR 1 HT2 THR 1 -3.247 7.295 3.330 3 3H THR 1 HT1 THR 1 -4.274 6.578 4.478 4 HA THR 1 HA THR 1 -4.078 4.526 3.612 5 HB THR 1 HB THR 1 -2.988 6.049 1.234 6 HG1 THR 1 HG1 THR 1 -5.636 5.884 1.244 7 1HG2 THR 1 HG23 THR 1 -4.710 3.593 1.609 8 2HG2 THR 1 HG22 THR 1 -4.583 4.437 0.066 9 3HG2 THR 1 HG21 THR 1 -3.150 3.708 0.793 10 H ALA 2 HN ALA 2 -2.666 2.847 2.578 11 HA ALA 2 HA ALA 2 0.245 3.436 2.859 12 1HB ALA 2 HB1 ALA 2 -0.801 2.265 4.909 13 2HB ALA 2 HB3 ALA 2 -0.970 0.858 3.859 14 3HB ALA 2 HB2 ALA 2 0.630 1.518 4.199 15 H PHE 3 HN PHE 3 1.233 2.880 0.991 16 HA PHE 3 HA PHE 3 -0.122 1.026 -0.876 17 1HB PHE 3 HB2 PHE 3 2.148 2.988 -1.093 18 2HB PHE 3 HB1 PHE 3 1.964 1.722 -2.307 19 HD1 PHE 3 HD1 PHE 3 -0.426 3.914 -0.405 20 HD2 PHE 3 HD2 PHE 3 0.921 2.498 -4.230 21 HE1 PHE 3 HE1 PHE 3 -2.206 5.232 -1.520 22 HE2 PHE 3 HE2 PHE 3 -0.859 3.817 -5.345 23 HZ PHE 3 HZ PHE 3 -2.422 5.183 -3.990 24 H LEU 4 HN LEU 4 0.896 -0.883 -1.658 25 HA LEU 4 HA LEU 4 3.496 -1.720 -0.606 26 1HB LEU 4 HB2 LEU 4 1.931 -2.194 1.293 27 2HB LEU 4 HB1 LEU 4 1.013 -3.253 0.223 28 HG LEU 4 HG LEU 4 3.343 -4.384 -0.208 29 1HD1 LEU 4 HD11 LEU 4 3.766 -2.723 2.260 30 2HD1 LEU 4 HD13 LEU 4 4.572 -4.285 2.113 31 3HD1 LEU 4 HD12 LEU 4 4.871 -3.023 0.918 32 1HD2 LEU 4 HD21 LEU 4 1.333 -5.364 0.965 33 2HD2 LEU 4 HD23 LEU 4 2.879 -5.960 1.570 34 3HD2 LEU 4 HD22 LEU 4 1.987 -4.741 2.481 35 H TRP 5 HN TRP 5 4.308 -2.476 -2.511 36 HA TRP 5 HA TRP 5 2.794 -4.610 -3.905 37 1HB TRP 5 HB2 TRP 5 3.160 -3.573 -6.102 38 2HB TRP 5 HB1 TRP 5 2.224 -2.498 -5.069 39 HD1 TRP 5 HD1 TRP 5 5.221 -2.581 -7.195 40 HE1 TRP 5 HE1 TRP 5 6.652 -0.466 -6.859 41 HE3 TRP 5 HE3 TRP 5 3.052 -0.703 -2.964 42 HZ2 TRP 5 HZ2 TRP 5 6.854 1.730 -5.041 43 HZ3 TRP 5 HZ3 TRP 5 3.890 1.398 -1.954 44 HH2 TRP 5 HH2 TRP 5 5.784 2.616 -2.986 45 H ALA 6 HN ALA 6 4.147 -6.083 -5.025 46 HA ALA 6 HA ALA 6 7.000 -5.947 -4.220 47 1HB ALA 6 HB1 ALA 6 5.525 -8.021 -3.873 48 2HB ALA 6 HB3 ALA 6 5.617 -8.244 -5.619 49 3HB ALA 6 HB2 ALA 6 7.087 -8.291 -4.647 50 H GLN 7 HN GLN 7 8.290 -4.921 -5.673 51 HA GLN 7 HA GLN 7 7.929 -5.586 -8.564 52 1HB GLN 7 HB2 GLN 7 8.580 -3.218 -9.084 53 2HB GLN 7 HB1 GLN 7 7.028 -3.349 -8.256 54 1HG GLN 7 HG2 GLN 7 7.904 -2.581 -6.218 55 2HG GLN 7 HG1 GLN 7 9.562 -2.971 -6.676 56 1HE2 GLN 7 HE22 GLN 7 10.130 0.284 -7.863 57 2HE2 GLN 7 HE21 GLN 7 10.755 -1.133 -7.169 58 H ASP 8 HN ASP 8 9.886 -5.653 -9.768 59 HA ASP 8 HA ASP 8 12.319 -5.932 -8.075 60 1HB ASP 8 HB2 ASP 8 13.252 -7.085 -10.123 61 2HB ASP 8 HB1 ASP 8 11.858 -7.892 -9.408 62 H ARG 9 HN ARG 9 14.405 -5.243 -9.268 63 HA ARG 9 HA ARG 9 14.319 -2.438 -9.771 64 1HB ARG 9 HB2 ARG 9 16.666 -2.757 -10.599 65 2HB ARG 9 HB1 ARG 9 16.374 -3.502 -9.026 66 1HG ARG 9 HG2 ARG 9 16.120 -5.686 -10.037 67 2HG ARG 9 HG1 ARG 9 16.193 -4.993 -11.658 68 1HD ARG 9 HD2 ARG 9 18.453 -4.660 -9.683 69 2HD ARG 9 HD1 ARG 9 18.357 -6.051 -10.763 70 HE ARG 9 HE ARG 9 18.053 -3.643 -12.288 71 1HH1 ARG 9 HH11 ARG 9 20.407 -5.491 -10.525 72 2HH1 ARG 9 HH12 ARG 9 21.739 -4.927 -11.477 73 1HH2 ARG 9 HH21 ARG 9 19.789 -2.917 -13.516 74 2HH2 ARG 9 HH22 ARG 9 21.390 -3.477 -13.163 75 H ASP 10 HN ASP 10 13.632 -5.109 -11.829 76 HA ASP 10 HA ASP 10 14.271 -3.782 -14.344 77 1HB ASP 10 HB2 ASP 10 12.796 -6.287 -13.564 78 2HB ASP 10 HB1 ASP 10 12.694 -5.680 -15.218 79 H GLY 11 HN GLY 11 12.228 -2.708 -12.191 80 1HA GLY 11 HA2 GLY 11 10.298 -1.379 -12.278 81 2HA GLY 11 HA1 GLY 11 10.561 -1.280 -14.020 82 H LEU 12 HN LEU 12 10.044 -4.257 -12.173 83 HA LEU 12 HA LEU 12 7.535 -4.675 -13.750 84 1HB LEU 12 HB2 LEU 12 9.674 -6.254 -13.884 85 2HB LEU 12 HB1 LEU 12 8.968 -6.941 -12.421 86 HG LEU 12 HG LEU 12 6.752 -6.983 -13.783 87 1HD1 LEU 12 HD11 LEU 12 7.764 -5.596 -15.644 88 2HD1 LEU 12 HD13 LEU 12 8.754 -6.995 -16.057 89 3HD1 LEU 12 HD12 LEU 12 6.998 -7.091 -16.180 90 1HD2 LEU 12 HD21 LEU 12 8.453 -8.899 -13.134 91 2HD2 LEU 12 HD23 LEU 12 7.167 -9.219 -14.298 92 3HD2 LEU 12 HD22 LEU 12 8.805 -8.890 -14.863 93 H ILE 13 HN ILE 13 5.900 -6.077 -12.568 94 HA ILE 13 HA ILE 13 6.017 -5.758 -9.611 95 HB ILE 13 HB ILE 13 3.635 -4.970 -9.642 96 1HG1 ILE 13 HG12 ILE 13 4.149 -4.555 -12.603 97 2HG1 ILE 13 HG11 ILE 13 3.172 -5.873 -11.953 98 1HG2 ILE 13 HG21 ILE 13 5.751 -3.323 -11.049 99 2HG2 ILE 13 HG23 ILE 13 4.205 -2.654 -10.525 100 3HG2 ILE 13 HG22 ILE 13 5.335 -3.301 -9.335 101 1HD1 ILE 13 HD11 ILE 13 2.583 -3.026 -11.175 102 2HD1 ILE 13 HD13 ILE 13 1.973 -3.676 -12.697 103 3HD1 ILE 13 HD12 ILE 13 1.505 -4.421 -11.168 104 H GLY 14 HN GLY 14 4.695 -7.339 -12.453 105 1HA GLY 14 HA2 GLY 14 4.408 -9.852 -11.070 106 2HA GLY 14 HA1 GLY 14 2.831 -9.103 -11.319 107 H LYS 15 HN LYS 15 2.600 -11.153 -12.678 108 HA LYS 15 HA LYS 15 2.819 -10.463 -15.474 109 1HB LYS 15 HB2 LYS 15 5.191 -11.260 -14.774 110 2HB LYS 15 HB1 LYS 15 4.468 -12.867 -14.703 111 1HG LYS 15 HG2 LYS 15 4.063 -11.140 -17.133 112 2HG LYS 15 HG1 LYS 15 5.548 -12.073 -16.947 113 1HD LYS 15 HD2 LYS 15 3.948 -14.067 -16.428 114 2HD LYS 15 HD1 LYS 15 2.717 -13.067 -17.201 115 1HE LYS 15 HE2 LYS 15 3.832 -13.075 -19.272 116 2HE LYS 15 HE1 LYS 15 5.371 -13.540 -18.546 117 1HZ LYS 15 HZ3 LYS 15 4.415 -15.700 -18.009 118 2HZ LYS 15 HZ2 LYS 15 2.950 -15.250 -18.743 119 3HZ LYS 15 HZ1 LYS 15 4.360 -15.405 -19.678 120 H ASP 16 HN ASP 16 0.954 -11.304 -16.244 121 HA ASP 16 HA ASP 16 -0.853 -12.761 -16.571 122 1HB ASP 16 HB2 ASP 16 1.458 -14.539 -15.984 123 2HB ASP 16 HB1 ASP 16 -0.143 -15.264 -15.848 124 H GLY 17 HN GLY 17 -0.438 -11.422 -13.953 125 1HA GLY 17 HA2 GLY 17 -1.951 -11.391 -12.089 126 2HA GLY 17 HA1 GLY 17 -2.333 -13.084 -12.402 127 H HIS 18 HN HIS 18 -0.187 -14.513 -12.218 128 HA HIS 18 HA HIS 18 0.677 -14.272 -9.456 129 1HB HIS 18 HB2 HIS 18 2.097 -16.264 -10.017 130 2HB HIS 18 HB1 HIS 18 0.394 -16.485 -10.421 131 HD1 HIS 18 HD1 HIS 18 3.754 -15.844 -12.015 132 HD2 HIS 18 HD2 HIS 18 -0.147 -16.733 -13.182 133 HE1 HIS 18 HE1 HIS 18 3.851 -16.381 -14.488 134 H LEU 19 HN LEU 19 3.115 -14.415 -8.957 135 HA LEU 19 HA LEU 19 4.428 -12.145 -10.284 136 1HB LEU 19 HB2 LEU 19 5.095 -13.868 -7.894 137 2HB LEU 19 HB1 LEU 19 6.252 -12.705 -8.545 138 HG LEU 19 HG LEU 19 3.421 -11.922 -7.835 139 1HD1 LEU 19 HD11 LEU 19 5.873 -12.151 -6.103 140 2HD1 LEU 19 HD13 LEU 19 4.659 -10.918 -5.767 141 3HD1 LEU 19 HD12 LEU 19 4.214 -12.624 -5.739 142 1HD2 LEU 19 HD22 LEU 19 5.953 -10.556 -8.644 143 2HD2 LEU 19 HD21 LEU 19 4.288 -10.181 -9.086 144 3HD2 LEU 19 HD23 LEU 19 4.903 -9.720 -7.500 145 HA PRO 20 HA PRO 20 7.083 -14.599 -12.882 146 1HB PRO 20 HB2 PRO 20 9.209 -12.795 -13.057 147 2HB PRO 20 HB1 PRO 20 7.754 -12.779 -14.063 148 1HG PRO 20 HG2 PRO 20 8.554 -10.889 -12.054 149 2HG PRO 20 HG1 PRO 20 7.144 -10.835 -13.120 150 1HD PRO 20 HD2 PRO 20 7.275 -11.554 -10.301 151 2HD PRO 20 HD1 PRO 20 5.854 -11.239 -11.308 152 H TRP 21 HN TRP 21 8.342 -13.296 -9.874 153 HA TRP 21 HA TRP 21 10.539 -15.318 -9.917 154 1HB TRP 21 HB2 TRP 21 11.481 -13.973 -8.020 155 2HB TRP 21 HB1 TRP 21 11.337 -13.055 -9.518 156 HD1 TRP 21 HD1 TRP 21 9.657 -13.494 -6.101 157 HE1 TRP 21 HE1 TRP 21 8.238 -11.398 -5.608 158 HE3 TRP 21 HE3 TRP 21 10.112 -11.049 -10.562 159 HZ2 TRP 21 HZ2 TRP 21 7.406 -9.002 -6.930 160 HZ3 TRP 21 HZ3 TRP 21 8.998 -8.864 -10.918 161 HH2 TRP 21 HH2 TRP 21 7.647 -7.839 -9.110 162 H HIS 22 HN HIS 22 10.983 -16.310 -7.700 163 HA HIS 22 HA HIS 22 8.390 -16.883 -6.318 164 1HB HIS 22 HB2 HIS 22 9.516 -18.763 -7.683 165 2HB HIS 22 HB1 HIS 22 10.741 -18.777 -6.413 166 HD1 HIS 22 HD1 HIS 22 6.915 -18.644 -6.398 167 HD2 HIS 22 HD2 HIS 22 10.050 -20.677 -4.550 168 HE1 HIS 22 HE1 HIS 22 5.855 -20.251 -4.752 169 H LEU 23 HN LEU 23 8.679 -15.340 -4.663 170 HA LEU 23 HA LEU 23 11.064 -15.762 -2.906 171 1HB LEU 23 HB2 LEU 23 10.712 -13.471 -4.021 172 2HB LEU 23 HB1 LEU 23 9.330 -13.286 -2.942 173 HG LEU 23 HG LEU 23 10.846 -13.719 -1.000 174 1HD1 LEU 23 HD12 LEU 23 12.875 -13.804 -3.234 175 2HD1 LEU 23 HD11 LEU 23 13.343 -13.380 -1.587 176 3HD1 LEU 23 HD13 LEU 23 12.636 -14.960 -1.924 177 1HD2 LEU 23 HD23 LEU 23 10.405 -11.393 -2.315 178 2HD2 LEU 23 HD22 LEU 23 11.395 -11.494 -0.859 179 3HD2 LEU 23 HD21 LEU 23 12.161 -11.477 -2.447 180 HA PRO 24 HA PRO 24 7.405 -17.712 -0.721 181 1HB PRO 24 HB2 PRO 24 9.505 -18.761 1.009 182 2HB PRO 24 HB1 PRO 24 8.342 -19.638 0.007 183 1HG PRO 24 HG2 PRO 24 11.118 -19.171 -0.500 184 2HG PRO 24 HG1 PRO 24 9.959 -20.072 -1.485 185 1HD PRO 24 HD2 PRO 24 11.144 -17.617 -2.153 186 2HD PRO 24 HD1 PRO 24 9.760 -18.368 -2.962 187 H ASP 25 HN ASP 25 10.277 -16.068 0.581 188 HA ASP 25 HA ASP 25 9.230 -15.514 3.183 189 1HB ASP 25 HB2 ASP 25 11.646 -15.185 2.141 190 2HB ASP 25 HB1 ASP 25 11.044 -13.559 1.817 191 H ASP 26 HN ASP 26 9.136 -13.634 0.157 192 HA ASP 26 HA ASP 26 7.767 -11.364 1.242 193 1HB ASP 26 HB2 ASP 26 8.929 -11.401 -0.974 194 2HB ASP 26 HB1 ASP 26 7.642 -12.435 -1.594 195 H LEU 27 HN LEU 27 6.598 -14.372 -0.257 196 HA LEU 27 HA LEU 27 3.822 -13.688 -0.284 197 1HB LEU 27 HB2 LEU 27 5.148 -16.404 -0.026 198 2HB LEU 27 HB1 LEU 27 3.449 -16.141 -0.414 199 HG LEU 27 HG LEU 27 5.760 -15.056 -2.049 200 1HD1 LEU 27 HD12 LEU 27 4.122 -17.574 -2.246 201 2HD1 LEU 27 HD11 LEU 27 4.768 -16.820 -3.705 202 3HD1 LEU 27 HD13 LEU 27 5.863 -17.367 -2.435 203 1HD2 LEU 27 HD22 LEU 27 2.792 -14.831 -2.137 204 2HD2 LEU 27 HD21 LEU 27 4.021 -13.683 -2.665 205 3HD2 LEU 27 HD23 LEU 27 3.608 -15.063 -3.683 206 H HIS 28 HN HIS 28 5.961 -14.666 2.276 207 HA HIS 28 HA HIS 28 3.779 -15.413 4.101 208 1HB HIS 28 HB2 HIS 28 6.777 -15.231 4.317 209 2HB HIS 28 HB1 HIS 28 5.790 -15.361 5.773 210 HD1 HIS 28 HD1 HIS 28 3.627 -17.303 4.878 211 HD2 HIS 28 HD2 HIS 28 7.655 -17.836 3.946 212 HE1 HIS 28 HE1 HIS 28 3.929 -19.771 4.393 213 H TYR 29 HN TYR 29 5.768 -12.617 3.376 214 HA TYR 29 HA TYR 29 5.138 -11.131 5.777 215 1HB TYR 29 HB2 TYR 29 7.069 -10.672 4.186 216 2HB TYR 29 HB1 TYR 29 5.886 -9.981 3.076 217 HD1 TYR 29 HD1 TYR 29 6.624 -9.816 6.760 218 HD2 TYR 29 HD2 TYR 29 5.681 -7.671 3.160 219 HE1 TYR 29 HE1 TYR 29 6.687 -7.680 8.017 220 HE2 TYR 29 HE2 TYR 29 5.744 -5.534 4.417 221 HH TYR 29 HH TYR 29 6.637 -5.454 7.861 222 H PHE 30 HN PHE 30 3.510 -11.687 2.742 223 HA PHE 30 HA PHE 30 1.743 -9.431 2.770 224 1HB PHE 30 HB2 PHE 30 2.125 -11.033 0.837 225 2HB PHE 30 HB1 PHE 30 1.103 -12.189 1.692 226 HD1 PHE 30 HD2 PHE 30 1.034 -8.526 0.842 227 HD2 PHE 30 HD1 PHE 30 -1.130 -12.231 1.056 228 HE1 PHE 30 HE2 PHE 30 -0.989 -7.396 -0.041 229 HE2 PHE 30 HE1 PHE 30 -3.153 -11.100 0.173 230 HZ PHE 30 HZ PHE 30 -3.083 -8.683 -0.376 231 H ARG 31 HN ARG 31 1.240 -12.792 3.903 232 HA ARG 31 HA ARG 31 -1.331 -12.241 5.083 233 1HB ARG 31 HB2 ARG 31 -0.278 -14.523 4.442 234 2HB ARG 31 HB1 ARG 31 0.516 -14.434 6.014 235 1HG ARG 31 HG2 ARG 31 -1.669 -14.187 7.118 236 2HG ARG 31 HG1 ARG 31 -2.475 -14.247 5.551 237 1HD ARG 31 HD2 ARG 31 -0.617 -16.477 6.292 238 2HD ARG 31 HD1 ARG 31 -2.226 -16.441 7.015 239 HE ARG 31 HE ARG 31 -2.100 -16.161 4.074 240 1HH1 ARG 31 HH11 ARG 31 -2.654 -18.155 6.865 241 2HH1 ARG 31 HH12 ARG 31 -3.532 -19.356 5.980 242 1HH2 ARG 31 HH21 ARG 31 -3.242 -17.727 2.936 243 2HH2 ARG 31 HH22 ARG 31 -3.864 -19.114 3.767 244 H ALA 32 HN ALA 32 1.586 -11.004 5.951 245 HA ALA 32 HA ALA 32 1.098 -11.174 8.883 246 1HB ALA 32 HB3 ALA 32 3.398 -11.623 8.033 247 2HB ALA 32 HB2 ALA 32 3.450 -9.987 7.377 248 3HB ALA 32 HB1 ALA 32 3.345 -10.235 9.121 249 H GLN 33 HN GLN 33 1.072 -8.945 6.176 250 HA GLN 33 HA GLN 33 0.277 -6.750 8.048 251 1HB GLN 33 HB2 GLN 33 1.775 -6.752 5.440 252 2HB GLN 33 HB1 GLN 33 0.868 -5.321 5.928 253 1HG GLN 33 HG2 GLN 33 3.098 -5.031 6.764 254 2HG GLN 33 HG1 GLN 33 2.090 -5.441 8.152 255 1HE2 GLN 33 HE22 GLN 33 4.321 -8.052 8.928 256 2HE2 GLN 33 HE21 GLN 33 3.469 -6.685 9.465 257 H THR 34 HN THR 34 -1.517 -8.808 7.042 258 HA THR 34 HA THR 34 -3.372 -7.055 5.490 259 HB THR 34 HB THR 34 -4.156 -9.172 4.329 260 HG1 THR 34 HG1 THR 34 -1.776 -10.411 4.665 261 1HG2 THR 34 HG22 THR 34 -1.320 -8.192 3.928 262 2HG2 THR 34 HG21 THR 34 -2.166 -9.231 2.781 263 3HG2 THR 34 HG23 THR 34 -2.773 -7.610 3.116 264 H VAL 35 HN VAL 35 -2.873 -9.533 7.906 265 HA VAL 35 HA VAL 35 -5.699 -10.015 8.411 266 HB VAL 35 HB VAL 35 -4.845 -11.137 10.486 267 1HG1 VAL 35 HG12 VAL 35 -3.567 -11.767 7.817 268 2HG1 VAL 35 HG11 VAL 35 -3.420 -12.830 9.215 269 3HG1 VAL 35 HG13 VAL 35 -5.008 -12.497 8.524 270 1HG2 VAL 35 HG23 VAL 35 -2.220 -10.053 9.428 271 2HG2 VAL 35 HG22 VAL 35 -2.939 -9.757 11.011 272 3HG2 VAL 35 HG21 VAL 35 -2.319 -11.359 10.610 273 H GLY 36 HN GLY 36 -7.039 -8.740 9.589 274 1HA GLY 36 HA2 GLY 36 -7.706 -7.279 11.341 275 2HA GLY 36 HA1 GLY 36 -6.013 -7.111 11.809 276 H LYS 37 HN LYS 37 -6.873 -6.680 8.471 277 HA LYS 37 HA LYS 37 -6.966 -3.728 8.759 278 1HB LYS 37 HB2 LYS 37 -4.798 -5.302 7.396 279 2HB LYS 37 HB1 LYS 37 -5.258 -3.723 6.756 280 1HG LYS 37 HG2 LYS 37 -3.705 -2.987 8.273 281 2HG LYS 37 HG1 LYS 37 -5.074 -3.103 9.381 282 1HD LYS 37 HD2 LYS 37 -4.227 -5.643 9.531 283 2HD LYS 37 HD1 LYS 37 -2.692 -4.877 9.118 284 1HE LYS 37 HE2 LYS 37 -4.464 -3.843 11.339 285 2HE LYS 37 HE1 LYS 37 -3.218 -5.061 11.616 286 1HZ LYS 37 HZ2 LYS 37 -1.646 -3.462 10.514 287 2HZ LYS 37 HZ1 LYS 37 -2.867 -2.288 10.641 288 3HZ LYS 37 HZ3 LYS 37 -2.220 -2.993 12.042 289 H ILE 38 HN ILE 38 -7.531 -2.700 6.617 290 HA ILE 38 HA ILE 38 -9.524 -4.390 5.230 291 HB ILE 38 HB ILE 38 -8.928 -1.439 4.868 292 1HG1 ILE 38 HG12 ILE 38 -11.094 -2.739 6.546 293 2HG1 ILE 38 HG11 ILE 38 -9.591 -2.100 7.214 294 1HG2 ILE 38 HG22 ILE 38 -11.319 -3.162 4.146 295 2HG2 ILE 38 HG21 ILE 38 -11.231 -1.412 3.941 296 3HG2 ILE 38 HG23 ILE 38 -10.165 -2.464 3.010 297 1HD1 ILE 38 HD11 ILE 38 -10.183 0.104 6.057 298 2HD1 ILE 38 HD13 ILE 38 -11.789 -0.580 5.802 299 3HD1 ILE 38 HD12 ILE 38 -11.183 -0.339 7.441 300 H MET 39 HN MET 39 -8.534 -5.644 3.686 301 HA MET 39 HA MET 39 -6.313 -4.601 2.077 302 1HB MET 39 HB2 MET 39 -6.554 -7.023 2.839 303 2HB MET 39 HB1 MET 39 -7.843 -7.176 1.645 304 1HG MET 39 HG2 MET 39 -6.196 -6.324 -0.087 305 2HG MET 39 HG1 MET 39 -4.938 -6.496 1.137 306 1HE MET 39 HE3 MET 39 -7.760 -7.906 -0.701 307 2HE MET 39 HE2 MET 39 -7.427 -9.609 -1.003 308 3HE MET 39 HE1 MET 39 -8.114 -9.113 0.542 309 H VAL 40 HN VAL 40 -6.865 -3.124 0.538 310 HA VAL 40 HA VAL 40 -9.421 -3.451 -0.941 311 HB VAL 40 HB VAL 40 -7.401 -1.193 -1.086 312 1HG1 VAL 40 HG13 VAL 40 -10.269 -1.506 -2.017 313 2HG1 VAL 40 HG12 VAL 40 -9.417 0.037 -1.971 314 3HG1 VAL 40 HG11 VAL 40 -8.845 -1.255 -3.026 315 1HG2 VAL 40 HG23 VAL 40 -9.844 -1.622 0.649 316 2HG2 VAL 40 HG22 VAL 40 -8.204 -1.224 1.165 317 3HG2 VAL 40 HG21 VAL 40 -9.184 -0.017 0.333 318 H VAL 41 HN VAL 41 -9.345 -4.580 -2.810 319 HA VAL 41 HA VAL 41 -6.898 -4.346 -4.509 320 HB VAL 41 HB VAL 41 -7.224 -6.755 -5.123 321 1HG1 VAL 41 HG13 VAL 41 -6.520 -5.800 -2.383 322 2HG1 VAL 41 HG12 VAL 41 -6.651 -7.541 -2.630 323 3HG1 VAL 41 HG11 VAL 41 -5.509 -6.598 -3.587 324 1HG2 VAL 41 HG23 VAL 41 -9.245 -6.599 -2.866 325 2HG2 VAL 41 HG22 VAL 41 -9.572 -7.010 -4.549 326 3HG2 VAL 41 HG21 VAL 41 -8.633 -8.110 -3.539 327 H GLY 42 HN GLY 42 -7.396 -5.027 -6.820 328 1HA GLY 42 HA2 GLY 42 -9.985 -3.832 -7.612 329 2HA GLY 42 HA1 GLY 42 -8.634 -4.179 -8.693 330 H ARG 43 HN ARG 43 -10.298 -5.197 -10.085 331 HA ARG 43 HA ARG 43 -11.545 -7.676 -9.111 332 1HB ARG 43 HB2 ARG 43 -11.584 -6.138 -11.698 333 2HB ARG 43 HB1 ARG 43 -12.180 -7.796 -11.646 334 1HG ARG 43 HG2 ARG 43 -13.661 -7.120 -9.720 335 2HG ARG 43 HG1 ARG 43 -13.170 -5.450 -10.006 336 1HD ARG 43 HD2 ARG 43 -15.300 -5.949 -11.148 337 2HD ARG 43 HD1 ARG 43 -14.027 -5.591 -12.316 338 HE ARG 43 HE ARG 43 -14.342 -8.445 -11.715 339 1HH1 ARG 43 HH11 ARG 43 -15.268 -5.758 -13.713 340 2HH1 ARG 43 HH12 ARG 43 -15.768 -6.760 -15.034 341 1HH2 ARG 43 HH21 ARG 43 -14.996 -9.734 -13.435 342 2HH2 ARG 43 HH22 ARG 43 -15.616 -9.000 -14.877 343 H ARG 44 HN ARG 44 -8.858 -6.710 -11.196 344 HA ARG 44 HA ARG 44 -8.279 -9.358 -12.190 345 1HB ARG 44 HB2 ARG 44 -6.647 -6.820 -11.983 346 2HB ARG 44 HB1 ARG 44 -5.993 -8.308 -12.669 347 1HG ARG 44 HG2 ARG 44 -8.625 -7.225 -13.645 348 2HG ARG 44 HG1 ARG 44 -7.111 -6.572 -14.271 349 1HD ARG 44 HD2 ARG 44 -6.400 -8.892 -14.862 350 2HD ARG 44 HD1 ARG 44 -7.981 -9.476 -14.340 351 HE ARG 44 HE ARG 44 -8.289 -7.368 -16.278 352 1HH1 ARG 44 HH11 ARG 44 -7.405 -10.709 -15.927 353 2HH1 ARG 44 HH12 ARG 44 -7.899 -11.132 -17.533 354 1HH2 ARG 44 HH21 ARG 44 -8.926 -7.929 -18.360 355 2HH2 ARG 44 HH22 ARG 44 -8.756 -9.564 -18.903 356 H THR 45 HN THR 45 -7.176 -7.480 -9.393 357 HA THR 45 HA THR 45 -5.229 -9.489 -8.566 358 HB THR 45 HB THR 45 -6.439 -7.275 -6.889 359 HG1 THR 45 HG1 THR 45 -5.601 -6.352 -8.727 360 1HG2 THR 45 HG23 THR 45 -5.122 -8.987 -5.684 361 2HG2 THR 45 HG22 THR 45 -3.768 -8.704 -6.779 362 3HG2 THR 45 HG21 THR 45 -4.301 -7.426 -5.686 363 H TYR 46 HN TYR 46 -8.618 -8.854 -7.993 364 HA TYR 46 HA TYR 46 -8.932 -10.412 -5.603 365 1HB TYR 46 HB2 TYR 46 -10.620 -8.787 -6.573 366 2HB TYR 46 HB1 TYR 46 -11.004 -10.015 -7.778 367 HD1 TYR 46 HD2 TYR 46 -10.411 -9.933 -4.066 368 HD2 TYR 46 HD1 TYR 46 -12.894 -11.276 -7.303 369 HE1 TYR 46 HE2 TYR 46 -11.915 -11.058 -2.445 370 HE2 TYR 46 HE1 TYR 46 -14.398 -12.400 -5.683 371 HH TYR 46 HH TYR 46 -14.984 -12.116 -3.219 372 H GLU 47 HN GLU 47 -8.919 -11.236 -9.037 373 HA GLU 47 HA GLU 47 -9.625 -14.047 -8.460 374 1HB GLU 47 HB2 GLU 47 -9.011 -12.544 -11.017 375 2HB GLU 47 HB1 GLU 47 -9.312 -14.281 -10.972 376 1HG GLU 47 HG2 GLU 47 -11.543 -14.007 -10.285 377 2HG GLU 47 HG1 GLU 47 -11.260 -12.365 -9.707 378 H SER 48 HN SER 48 -6.810 -12.076 -9.009 379 HA SER 48 HA SER 48 -4.979 -14.097 -9.866 380 1HB SER 48 HB2 SER 48 -4.533 -11.624 -9.893 381 2HB SER 48 HB1 SER 48 -4.363 -11.680 -8.140 382 HG SER 48 HG SER 48 -2.363 -11.886 -9.320 383 H PHE 49 HN PHE 49 -6.422 -13.436 -6.781 384 HA PHE 49 HA PHE 49 -4.462 -14.614 -5.066 385 1HB PHE 49 HB2 PHE 49 -7.479 -14.457 -4.787 386 2HB PHE 49 HB1 PHE 49 -6.382 -14.942 -3.493 387 HD1 PHE 49 HD2 PHE 49 -4.178 -13.206 -3.493 388 HD2 PHE 49 HD1 PHE 49 -8.239 -12.273 -4.540 389 HE1 PHE 49 HE2 PHE 49 -3.772 -10.822 -2.942 390 HE2 PHE 49 HE1 PHE 49 -7.833 -9.889 -3.990 391 HZ PHE 49 HZ PHE 49 -5.599 -9.164 -3.190 392 HA PRO 50 HA PRO 50 -4.981 -18.965 -5.846 393 1HB PRO 50 HB2 PRO 50 -4.349 -19.902 -3.289 394 2HB PRO 50 HB1 PRO 50 -3.187 -19.499 -4.560 395 1HG PRO 50 HG2 PRO 50 -3.647 -18.140 -2.078 396 2HG PRO 50 HG1 PRO 50 -2.453 -17.770 -3.331 397 1HD PRO 50 HD2 PRO 50 -4.989 -16.439 -2.762 398 2HD PRO 50 HD1 PRO 50 -3.648 -15.903 -3.788 399 H LYS 51 HN LYS 51 -5.982 -18.675 -2.428 400 HA LYS 51 HA LYS 51 -8.523 -20.064 -3.163 401 1HB LYS 51 HB2 LYS 51 -8.611 -20.644 -0.712 402 2HB LYS 51 HB1 LYS 51 -7.227 -21.334 -1.559 403 1HG LYS 51 HG2 LYS 51 -5.719 -20.035 -0.435 404 2HG LYS 51 HG1 LYS 51 -6.797 -18.640 -0.395 405 1HD LYS 51 HD2 LYS 51 -8.065 -19.580 1.429 406 2HD LYS 51 HD1 LYS 51 -7.208 -21.116 1.300 407 1HE LYS 51 HE2 LYS 51 -5.944 -18.458 2.032 408 2HE LYS 51 HE1 LYS 51 -6.323 -19.755 3.164 409 1HZ LYS 51 HZ1 LYS 51 -4.538 -20.080 0.817 410 2HZ LYS 51 HZ3 LYS 51 -3.983 -19.734 2.381 411 3HZ LYS 51 HZ2 LYS 51 -4.797 -21.194 2.074 412 H ARG 52 HN ARG 52 -9.253 -17.833 -3.848 413 HA ARG 52 HA ARG 52 -9.695 -15.840 -1.758 414 1HB ARG 52 HB2 ARG 52 -11.009 -14.674 -3.544 415 2HB ARG 52 HB1 ARG 52 -9.373 -15.092 -4.055 416 1HG ARG 52 HG2 ARG 52 -10.424 -17.268 -4.976 417 2HG ARG 52 HG1 ARG 52 -11.968 -16.433 -4.805 418 1HD ARG 52 HD2 ARG 52 -9.730 -15.003 -6.183 419 2HD ARG 52 HD1 ARG 52 -10.584 -16.270 -7.064 420 HE ARG 52 HE ARG 52 -11.712 -13.681 -6.223 421 1HH1 ARG 52 HH11 ARG 52 -12.258 -16.908 -7.389 422 2HH1 ARG 52 HH12 ARG 52 -13.828 -16.541 -8.023 423 1HH2 ARG 52 HH21 ARG 52 -13.750 -13.217 -7.050 424 2HH2 ARG 52 HH22 ARG 52 -14.668 -14.461 -7.831 425 HA PRO 53 HA PRO 53 -11.263 -14.134 -1.604 426 1HB PRO 53 HB2 PRO 53 -12.834 -13.462 0.617 427 2HB PRO 53 HB1 PRO 53 -13.232 -13.134 -1.075 428 1HG PRO 53 HG2 PRO 53 -14.520 -14.951 0.723 429 2HG PRO 53 HG1 PRO 53 -14.924 -14.607 -0.965 430 1HD PRO 53 HD2 PRO 53 -13.513 -16.910 0.158 431 2HD PRO 53 HD1 PRO 53 -14.224 -16.708 -1.452 432 H LEU 54 HN LEU 54 -10.301 -12.912 0.354 433 HA LEU 54 HA LEU 54 -8.800 -14.868 1.993 434 1HB LEU 54 HB2 LEU 54 -8.426 -11.876 1.677 435 2HB LEU 54 HB1 LEU 54 -7.326 -12.973 2.513 436 HG LEU 54 HG LEU 54 -8.087 -13.262 -0.405 437 1HD1 LEU 54 HD11 LEU 54 -6.728 -11.152 0.366 438 2HD1 LEU 54 HD13 LEU 54 -5.410 -12.305 0.569 439 3HD1 LEU 54 HD12 LEU 54 -6.157 -12.092 -1.014 440 1HD2 LEU 54 HD23 LEU 54 -6.084 -14.586 1.434 441 2HD2 LEU 54 HD22 LEU 54 -7.343 -15.352 0.466 442 3HD2 LEU 54 HD21 LEU 54 -5.927 -14.655 -0.322 443 HA PRO 55 HA PRO 55 -11.631 -13.712 5.361 444 1HB PRO 55 HB2 PRO 55 -10.723 -15.788 7.015 445 2HB PRO 55 HB1 PRO 55 -12.110 -15.857 5.922 446 1HG PRO 55 HG2 PRO 55 -9.626 -17.253 5.706 447 2HG PRO 55 HG1 PRO 55 -11.019 -17.321 4.617 448 1HD PRO 55 HD2 PRO 55 -8.485 -15.906 4.275 449 2HD PRO 55 HD1 PRO 55 -9.739 -16.263 3.077 450 H GLU 56 HN GLU 56 -11.115 -13.682 7.930 451 HA GLU 56 HA GLU 56 -9.900 -12.624 9.631 452 1HB GLU 56 HB2 GLU 56 -7.474 -13.413 7.989 453 2HB GLU 56 HB1 GLU 56 -7.506 -13.022 9.709 454 1HG GLU 56 HG2 GLU 56 -9.095 -14.952 10.039 455 2HG GLU 56 HG1 GLU 56 -8.814 -15.395 8.355 456 H ARG 57 HN ARG 57 -10.729 -11.156 7.164 457 HA ARG 57 HA ARG 57 -9.533 -8.627 7.756 458 1HB ARG 57 HB2 ARG 57 -8.274 -8.298 5.625 459 2HB ARG 57 HB1 ARG 57 -7.550 -9.533 6.653 460 1HG ARG 57 HG2 ARG 57 -9.115 -11.157 5.271 461 2HG ARG 57 HG1 ARG 57 -9.058 -9.855 4.082 462 1HD ARG 57 HD2 ARG 57 -7.229 -11.241 3.506 463 2HD ARG 57 HD1 ARG 57 -6.498 -9.918 4.413 464 HE ARG 57 HE ARG 57 -7.140 -11.964 6.268 465 1HH1 ARG 57 HH11 ARG 57 -5.062 -11.412 3.540 466 2HH1 ARG 57 HH12 ARG 57 -3.843 -12.509 4.096 467 1HH2 ARG 57 HH21 ARG 57 -5.551 -13.384 6.980 468 2HH2 ARG 57 HH22 ARG 57 -4.119 -13.620 6.034 469 H THR 58 HN THR 58 -10.032 -7.069 5.730 470 HA THR 58 HA THR 58 -12.779 -7.808 4.804 471 HB THR 58 HB THR 58 -11.685 -4.998 5.012 472 HG1 THR 58 HG1 THR 58 -11.960 -6.575 7.011 473 1HG2 THR 58 HG22 THR 58 -14.421 -6.258 4.795 474 2HG2 THR 58 HG21 THR 58 -14.196 -4.583 5.299 475 3HG2 THR 58 HG23 THR 58 -13.666 -5.101 3.699 476 H ASN 59 HN ASN 59 -12.671 -8.447 2.705 477 HA ASN 59 HA ASN 59 -10.593 -7.383 0.911 478 1HB ASN 59 HB2 ASN 59 -12.795 -9.432 0.566 479 2HB ASN 59 HB1 ASN 59 -11.747 -8.926 -0.759 480 1HD2 ASN 59 HD22 ASN 59 -9.801 -10.717 2.396 481 2HD2 ASN 59 HD21 ASN 59 -11.000 -9.558 2.714 482 H VAL 60 HN VAL 60 -10.998 -5.348 0.159 483 HA VAL 60 HA VAL 60 -13.790 -4.635 -0.601 484 HB VAL 60 HB VAL 60 -11.363 -2.832 -0.357 485 1HG1 VAL 60 HG11 VAL 60 -14.333 -2.350 -0.687 486 2HG1 VAL 60 HG13 VAL 60 -13.217 -1.094 -0.152 487 3HG1 VAL 60 HG12 VAL 60 -13.029 -1.819 -1.749 488 1HG2 VAL 60 HG22 VAL 60 -12.018 -3.950 1.796 489 2HG2 VAL 60 HG21 VAL 60 -12.238 -2.200 1.825 490 3HG2 VAL 60 HG23 VAL 60 -13.631 -3.262 1.614 491 H VAL 61 HN VAL 61 -14.225 -5.064 -2.707 492 HA VAL 61 HA VAL 61 -12.033 -4.938 -4.704 493 HB VAL 61 HB VAL 61 -14.908 -5.836 -5.069 494 1HG1 VAL 61 HG12 VAL 61 -12.386 -6.180 -6.720 495 2HG1 VAL 61 HG11 VAL 61 -13.906 -7.013 -7.045 496 3HG1 VAL 61 HG13 VAL 61 -13.822 -5.256 -7.166 497 1HG2 VAL 61 HG22 VAL 61 -12.398 -7.437 -4.472 498 2HG2 VAL 61 HG21 VAL 61 -13.777 -7.230 -3.393 499 3HG2 VAL 61 HG23 VAL 61 -13.962 -8.131 -4.897 500 H LEU 62 HN LEU 62 -11.804 -3.163 -5.966 501 HA LEU 62 HA LEU 62 -14.049 -1.199 -6.053 502 1HB LEU 62 HB2 LEU 62 -11.757 -0.486 -5.218 503 2HB LEU 62 HB1 LEU 62 -11.167 -0.740 -6.861 504 HG LEU 62 HG LEU 62 -13.105 0.802 -7.592 505 1HD1 LEU 62 HD13 LEU 62 -12.937 1.459 -4.635 506 2HD1 LEU 62 HD12 LEU 62 -13.805 2.417 -5.835 507 3HD1 LEU 62 HD11 LEU 62 -14.332 0.775 -5.469 508 1HD2 LEU 62 HD22 LEU 62 -10.762 1.836 -5.966 509 2HD2 LEU 62 HD21 LEU 62 -10.782 1.519 -7.700 510 3HD2 LEU 62 HD23 LEU 62 -11.744 2.838 -7.034 511 H THR 63 HN THR 63 -15.264 -1.369 -7.867 512 HA THR 63 HA THR 63 -13.877 -1.678 -10.480 513 HB THR 63 HB THR 63 -14.599 -3.936 -9.927 514 HG1 THR 63 HG1 THR 63 -16.256 -4.139 -11.610 515 1HG2 THR 63 HG21 THR 63 -17.286 -2.634 -9.418 516 2HG2 THR 63 HG23 THR 63 -17.030 -4.376 -9.509 517 3HG2 THR 63 HG22 THR 63 -16.260 -3.437 -8.230 518 H HIS 64 HN HIS 64 -14.858 -0.501 -12.121 519 HA HIS 64 HA HIS 64 -16.994 1.358 -11.284 520 1HB HIS 64 HB2 HIS 64 -15.332 1.167 -13.814 521 2HB HIS 64 HB1 HIS 64 -16.546 2.412 -13.518 522 HD1 HIS 64 HD1 HIS 64 -13.155 1.249 -12.385 523 HD2 HIS 64 HD2 HIS 64 -15.790 4.387 -11.619 524 HE1 HIS 64 HE1 HIS 64 -11.865 2.951 -11.024 525 H GLN 65 HN GLN 65 -17.589 -1.512 -11.704 526 HA GLN 65 HA GLN 65 -19.738 -1.155 -13.738 527 1HB GLN 65 HB2 GLN 65 -17.732 -3.407 -13.567 528 2HB GLN 65 HB1 GLN 65 -19.297 -3.621 -14.353 529 1HG GLN 65 HG2 GLN 65 -18.743 -1.549 -15.733 530 2HG GLN 65 HG1 GLN 65 -17.100 -1.681 -15.103 531 1HE2 GLN 65 HE21 GLN 65 -19.571 -3.864 -16.596 532 2HE2 GLN 65 HE22 GLN 65 -18.453 -4.695 -17.567 533 H GLU 66 HN GLU 66 -21.669 -1.656 -12.839 534 HA GLU 66 HA GLU 66 -21.759 -2.976 -10.215 535 1HB GLU 66 HB2 GLU 66 -23.809 -1.682 -12.013 536 2HB GLU 66 HB1 GLU 66 -24.299 -2.621 -10.602 537 1HG GLU 66 HG2 GLU 66 -24.133 -0.419 -9.769 538 2HG GLU 66 HG1 GLU 66 -22.603 -1.158 -9.297 539 H ASP 67 HN ASP 67 -20.902 -4.527 -12.600 540 HA ASP 67 HA ASP 67 -23.136 -6.495 -12.811 541 1HB ASP 67 HB2 ASP 67 -21.984 -5.508 -14.896 542 2HB ASP 67 HB1 ASP 67 -20.598 -6.505 -14.450 543 H TYR 68 HN TYR 68 -19.713 -6.159 -11.959 544 HA TYR 68 HA TYR 68 -19.295 -8.965 -11.397 545 1HB TYR 68 HB2 TYR 68 -17.495 -7.208 -11.840 546 2HB TYR 68 HB1 TYR 68 -17.766 -6.650 -10.189 547 HD1 TYR 68 HD2 TYR 68 -17.272 -9.890 -12.028 548 HD2 TYR 68 HD1 TYR 68 -16.415 -7.554 -8.526 549 HE1 TYR 68 HE2 TYR 68 -15.816 -11.707 -11.173 550 HE2 TYR 68 HE1 TYR 68 -14.959 -9.371 -7.671 551 HH TYR 68 HH TYR 68 -14.327 -12.284 -9.609 552 H GLN 69 HN GLN 69 -19.423 -10.043 -9.412 553 HA GLN 69 HA GLN 69 -20.299 -8.521 -7.023 554 1HB GLN 69 HB2 GLN 69 -21.864 -10.784 -8.295 555 2HB GLN 69 HB1 GLN 69 -22.138 -10.217 -6.647 556 1HG GLN 69 HG2 GLN 69 -22.376 -7.867 -7.708 557 2HG GLN 69 HG1 GLN 69 -22.562 -8.729 -9.236 558 1HE2 GLN 69 HE22 GLN 69 -25.629 -8.665 -6.583 559 2HE2 GLN 69 HE21 GLN 69 -24.167 -7.862 -6.263 560 H ALA 70 HN ALA 70 -18.515 -9.103 -5.813 561 HA ALA 70 HA ALA 70 -17.588 -11.905 -5.799 562 1HB ALA 70 HB3 ALA 70 -16.008 -9.927 -5.747 563 2HB ALA 70 HB2 ALA 70 -16.591 -9.592 -4.116 564 3HB ALA 70 HB1 ALA 70 -15.751 -11.104 -4.460 565 H GLN 71 HN GLN 71 -18.535 -13.341 -4.450 566 HA GLN 71 HA GLN 71 -20.296 -12.507 -2.296 567 1HB GLN 71 HB2 GLN 71 -19.260 -15.161 -3.283 568 2HB GLN 71 HB1 GLN 71 -20.176 -15.055 -1.779 569 1HG GLN 71 HG2 GLN 71 -22.094 -14.176 -2.892 570 2HG GLN 71 HG1 GLN 71 -21.182 -13.863 -4.369 571 1HE2 GLN 71 HE22 GLN 71 -22.857 -17.488 -3.814 572 2HE2 GLN 71 HE21 GLN 71 -23.139 -16.187 -2.760 573 H GLY 72 HN GLY 72 -19.833 -12.350 -0.128 574 1HA GLY 72 HA2 GLY 72 -18.596 -12.439 1.873 575 2HA GLY 72 HA1 GLY 72 -17.518 -13.599 1.094 576 H ALA 73 HN ALA 73 -18.277 -10.346 -0.081 577 HA ALA 73 HA ALA 73 -15.717 -9.255 0.845 578 1HB ALA 73 HB1 ALA 73 -16.225 -9.795 -2.096 579 2HB ALA 73 HB3 ALA 73 -14.937 -8.753 -1.489 580 3HB ALA 73 HB2 ALA 73 -14.932 -10.474 -1.105 581 H VAL 74 HN VAL 74 -15.701 -6.982 0.724 582 HA VAL 74 HA VAL 74 -18.310 -5.723 0.403 583 HB VAL 74 HB VAL 74 -15.606 -4.411 0.815 584 1HG1 VAL 74 HG11 VAL 74 -17.544 -2.968 0.085 585 2HG1 VAL 74 HG13 VAL 74 -18.390 -3.464 1.551 586 3HG1 VAL 74 HG12 VAL 74 -16.888 -2.545 1.666 587 1HG2 VAL 74 HG23 VAL 74 -17.639 -5.445 2.819 588 2HG2 VAL 74 HG22 VAL 74 -16.007 -6.067 2.571 589 3HG2 VAL 74 HG21 VAL 74 -16.244 -4.448 3.231 590 H VAL 75 HN VAL 75 -18.945 -5.737 -1.751 591 HA VAL 75 HA VAL 75 -17.090 -5.001 -3.891 592 HB VAL 75 HB VAL 75 -20.105 -5.301 -4.003 593 1HG1 VAL 75 HG11 VAL 75 -18.720 -4.154 -5.891 594 2HG1 VAL 75 HG13 VAL 75 -18.136 -5.783 -6.230 595 3HG1 VAL 75 HG12 VAL 75 -19.860 -5.424 -6.336 596 1HG2 VAL 75 HG23 VAL 75 -19.018 -7.338 -3.111 597 2HG2 VAL 75 HG22 VAL 75 -19.643 -7.612 -4.737 598 3HG2 VAL 75 HG21 VAL 75 -17.917 -7.349 -4.488 599 H VAL 76 HN VAL 76 -16.442 -2.866 -3.659 600 HA VAL 76 HA VAL 76 -18.546 -0.791 -3.301 601 HB VAL 76 HB VAL 76 -16.591 0.744 -2.964 602 1HG1 VAL 76 HG13 VAL 76 -17.740 -0.549 -1.101 603 2HG1 VAL 76 HG12 VAL 76 -16.422 -1.716 -1.207 604 3HG1 VAL 76 HG11 VAL 76 -16.085 -0.046 -0.754 605 1HG2 VAL 76 HG21 VAL 76 -15.121 -0.973 -4.353 606 2HG2 VAL 76 HG23 VAL 76 -14.391 -0.006 -3.071 607 3HG2 VAL 76 HG22 VAL 76 -14.839 -1.684 -2.763 608 H HIS 77 HN HIS 77 -18.494 1.100 -4.743 609 HA HIS 77 HA HIS 77 -17.165 0.630 -7.367 610 1HB HIS 77 HB2 HIS 77 -20.092 1.360 -7.021 611 2HB HIS 77 HB1 HIS 77 -19.240 1.203 -8.558 612 HD1 HIS 77 HD1 HIS 77 -18.725 -1.172 -9.408 613 HD2 HIS 77 HD2 HIS 77 -20.600 -1.132 -5.685 614 HE1 HIS 77 HE1 HIS 77 -19.412 -3.561 -8.927 615 H ASP 78 HN ASP 78 -16.694 2.483 -5.093 616 HA ASP 78 HA ASP 78 -16.359 4.917 -6.629 617 1HB ASP 78 HB2 ASP 78 -18.843 4.888 -5.867 618 2HB ASP 78 HB1 ASP 78 -18.197 5.209 -4.257 619 H VAL 79 HN VAL 79 -14.946 6.372 -5.554 620 HA VAL 79 HA VAL 79 -13.235 5.198 -3.555 621 HB VAL 79 HB VAL 79 -13.430 8.115 -4.365 622 1HG1 VAL 79 HG13 VAL 79 -11.203 6.442 -3.162 623 2HG1 VAL 79 HG12 VAL 79 -11.021 8.107 -3.715 624 3HG1 VAL 79 HG11 VAL 79 -12.086 7.740 -2.359 625 1HG2 VAL 79 HG22 VAL 79 -12.102 5.725 -5.641 626 2HG2 VAL 79 HG21 VAL 79 -13.085 6.977 -6.403 627 3HG2 VAL 79 HG23 VAL 79 -11.446 7.347 -5.866 628 H ALA 80 HN ALA 80 -15.971 7.407 -3.436 629 HA ALA 80 HA ALA 80 -15.602 8.300 -0.727 630 1HB ALA 80 HB3 ALA 80 -17.152 9.312 -2.482 631 2HB ALA 80 HB2 ALA 80 -18.257 7.980 -2.145 632 3HB ALA 80 HB1 ALA 80 -17.846 9.128 -0.871 633 H ALA 81 HN ALA 81 -17.138 5.465 -2.160 634 HA ALA 81 HA ALA 81 -18.449 4.565 0.250 635 1HB ALA 81 HB2 ALA 81 -19.056 3.772 -2.035 636 2HB ALA 81 HB1 ALA 81 -17.509 2.929 -2.126 637 3HB ALA 81 HB3 ALA 81 -18.711 2.440 -0.931 638 H VAL 82 HN VAL 82 -15.245 4.050 -1.152 639 HA VAL 82 HA VAL 82 -14.427 1.968 0.663 640 HB VAL 82 HB VAL 82 -12.676 3.995 -0.760 641 1HG1 VAL 82 HG12 VAL 82 -11.549 2.659 0.988 642 2HG1 VAL 82 HG11 VAL 82 -12.143 1.178 0.235 643 3HG1 VAL 82 HG13 VAL 82 -10.989 2.202 -0.620 644 1HG2 VAL 82 HG21 VAL 82 -14.306 2.772 -2.253 645 2HG2 VAL 82 HG23 VAL 82 -12.612 2.446 -2.616 646 3HG2 VAL 82 HG22 VAL 82 -13.566 1.261 -1.723 647 H PHE 83 HN PHE 83 -14.032 5.511 0.696 648 HA PHE 83 HA PHE 83 -12.583 5.533 3.209 649 1HB PHE 83 HB2 PHE 83 -13.959 7.651 1.553 650 2HB PHE 83 HB1 PHE 83 -13.267 8.025 3.131 651 HD1 PHE 83 HD2 PHE 83 -10.810 6.867 3.454 652 HD2 PHE 83 HD1 PHE 83 -12.580 8.067 -0.271 653 HE1 PHE 83 HE2 PHE 83 -8.556 7.022 2.432 654 HE2 PHE 83 HE1 PHE 83 -10.326 8.221 -1.293 655 HZ PHE 83 HZ PHE 83 -8.313 7.698 0.059 656 H ALA 84 HN ALA 84 -15.965 5.662 2.272 657 HA ALA 84 HA ALA 84 -17.014 6.603 4.778 658 1HB ALA 84 HB2 ALA 84 -18.254 6.474 2.557 659 2HB ALA 84 HB1 ALA 84 -18.412 4.741 2.842 660 3HB ALA 84 HB3 ALA 84 -19.154 5.889 3.956 661 H TYR 85 HN TYR 85 -16.212 3.387 3.535 662 HA TYR 85 HA TYR 85 -17.351 1.942 5.770 663 1HB TYR 85 HB2 TYR 85 -16.772 1.002 3.460 664 2HB TYR 85 HB1 TYR 85 -15.093 0.988 3.997 665 HD1 TYR 85 HD2 TYR 85 -18.466 -0.416 4.577 666 HD2 TYR 85 HD1 TYR 85 -14.314 -0.579 5.668 667 HE1 TYR 85 HE2 TYR 85 -18.863 -2.554 5.769 668 HE2 TYR 85 HE1 TYR 85 -14.711 -2.716 6.860 669 HH TYR 85 HH TYR 85 -17.568 -4.524 6.488 670 H ALA 86 HN ALA 86 -14.191 3.347 5.065 671 HA ALA 86 HA ALA 86 -12.796 2.119 7.272 672 1HB ALA 86 HB2 ALA 86 -12.219 4.712 5.805 673 2HB ALA 86 HB1 ALA 86 -11.097 3.872 6.874 674 3HB ALA 86 HB3 ALA 86 -11.602 3.120 5.360 675 H LYS 87 HN LYS 87 -14.798 4.986 6.932 676 HA LYS 87 HA LYS 87 -14.058 6.244 9.412 677 1HB LYS 87 HB2 LYS 87 -16.466 6.431 7.603 678 2HB LYS 87 HB1 LYS 87 -16.406 7.308 9.133 679 1HG LYS 87 HG2 LYS 87 -14.338 8.425 8.445 680 2HG LYS 87 HG1 LYS 87 -14.324 7.509 6.938 681 1HD LYS 87 HD2 LYS 87 -15.279 9.606 6.362 682 2HD LYS 87 HD1 LYS 87 -16.653 8.507 6.501 683 1HE LYS 87 HE2 LYS 87 -17.240 9.349 8.652 684 2HE LYS 87 HE1 LYS 87 -15.698 10.188 8.825 685 1HZ LYS 87 HZ2 LYS 87 -16.325 11.610 6.957 686 2HZ LYS 87 HZ1 LYS 87 -17.829 10.828 6.858 687 3HZ LYS 87 HZ3 LYS 87 -17.437 11.734 8.237 688 H GLN 88 HN GLN 88 -16.425 3.769 8.547 689 HA GLN 88 HA GLN 88 -17.797 3.755 11.087 690 1HB GLN 88 HB2 GLN 88 -17.587 1.815 8.789 691 2HB GLN 88 HB1 GLN 88 -18.421 1.363 10.276 692 1HG GLN 88 HG2 GLN 88 -19.715 3.581 10.008 693 2HG GLN 88 HG1 GLN 88 -19.102 3.587 8.354 694 1HE2 GLN 88 HE22 GLN 88 -20.868 0.399 7.654 695 2HE2 GLN 88 HE21 GLN 88 -19.270 0.965 7.549 696 H HIS 89 HN HIS 89 -14.991 2.031 9.790 697 HA HIS 89 HA HIS 89 -14.532 0.903 12.526 698 1HB HIS 89 HB2 HIS 89 -14.022 -0.273 9.792 699 2HB HIS 89 HB1 HIS 89 -13.166 -0.858 11.219 700 HD1 HIS 89 HD1 HIS 89 -14.295 -2.934 12.007 701 HD2 HIS 89 HD2 HIS 89 -17.058 -0.078 10.743 702 HE1 HIS 89 HE1 HIS 89 -16.589 -3.911 12.450 703 HA PRO 90 HA PRO 90 -10.964 3.700 11.660 704 1HB PRO 90 HB2 PRO 90 -10.970 4.709 14.270 705 2HB PRO 90 HB1 PRO 90 -11.712 5.477 12.861 706 1HG PRO 90 HG2 PRO 90 -13.011 4.326 15.138 707 2HG PRO 90 HG1 PRO 90 -13.747 5.121 13.741 708 1HD PRO 90 HD2 PRO 90 -13.546 2.266 14.336 709 2HD PRO 90 HD1 PRO 90 -14.552 3.092 13.134 710 H ASP 91 HN ASP 91 -11.211 0.835 12.836 711 HA ASP 91 HA ASP 91 -8.877 0.889 14.686 712 1HB ASP 91 HB2 ASP 91 -11.059 -0.410 15.183 713 2HB ASP 91 HB1 ASP 91 -10.500 -1.550 13.959 714 H GLN 92 HN GLN 92 -9.916 -0.207 11.516 715 HA GLN 92 HA GLN 92 -7.346 -1.620 11.076 716 1HB GLN 92 HB2 GLN 92 -9.866 -1.346 9.419 717 2HB GLN 92 HB1 GLN 92 -8.409 -2.148 8.829 718 1HG GLN 92 HG2 GLN 92 -8.565 -3.876 10.415 719 2HG GLN 92 HG1 GLN 92 -9.621 -2.937 11.470 720 1HE2 GLN 92 HE22 GLN 92 -12.472 -3.440 9.170 721 2HE2 GLN 92 HE21 GLN 92 -11.695 -2.128 9.914 722 H GLU 93 HN GLU 93 -6.495 -1.156 8.678 723 HA GLU 93 HA GLU 93 -6.452 1.807 8.275 724 1HB GLU 93 HB2 GLU 93 -4.150 -0.154 8.311 725 2HB GLU 93 HB1 GLU 93 -4.022 1.429 7.545 726 1HG GLU 93 HG2 GLU 93 -3.228 1.781 9.749 727 2HG GLU 93 HG1 GLU 93 -4.888 2.379 9.782 728 H LEU 94 HN LEU 94 -6.170 2.475 6.073 729 HA LEU 94 HA LEU 94 -7.238 0.553 4.127 730 1HB LEU 94 HB2 LEU 94 -7.837 3.057 4.294 731 2HB LEU 94 HB1 LEU 94 -6.279 3.353 3.521 732 HG LEU 94 HG LEU 94 -7.032 1.669 1.732 733 1HD1 LEU 94 HD11 LEU 94 -9.594 2.135 3.261 734 2HD1 LEU 94 HD13 LEU 94 -9.610 1.687 1.555 735 3HD1 LEU 94 HD12 LEU 94 -8.889 0.604 2.745 736 1HD2 LEU 94 HD23 LEU 94 -8.220 4.403 2.171 737 2HD2 LEU 94 HD22 LEU 94 -6.956 3.916 1.041 738 3HD2 LEU 94 HD21 LEU 94 -8.636 3.474 0.731 739 H VAL 95 HN VAL 95 -5.780 -0.896 3.331 740 HA VAL 95 HA VAL 95 -3.079 0.129 2.549 741 HB VAL 95 HB VAL 95 -3.886 -2.736 3.129 742 1HG1 VAL 95 HG12 VAL 95 -1.279 -1.336 2.521 743 2HG1 VAL 95 HG11 VAL 95 -1.322 -2.895 3.344 744 3HG1 VAL 95 HG13 VAL 95 -1.980 -2.740 1.716 745 1HG2 VAL 95 HG23 VAL 95 -2.747 -0.547 4.855 746 2HG2 VAL 95 HG22 VAL 95 -4.017 -1.710 5.237 747 3HG2 VAL 95 HG21 VAL 95 -2.332 -2.231 5.177 748 H ILE 96 HN ILE 96 -2.573 0.049 0.406 749 HA ILE 96 HA ILE 96 -4.557 -1.184 -1.435 750 HB ILE 96 HB ILE 96 -2.222 0.628 -2.103 751 1HG1 ILE 96 HG12 ILE 96 -3.790 1.765 -0.568 752 2HG1 ILE 96 HG11 ILE 96 -3.889 2.451 -2.187 753 1HG2 ILE 96 HG22 ILE 96 -3.193 -0.785 -3.937 754 2HG2 ILE 96 HG21 ILE 96 -4.747 -0.002 -3.655 755 3HG2 ILE 96 HG23 ILE 96 -3.370 0.947 -4.213 756 1HD1 ILE 96 HD13 ILE 96 -5.868 0.971 -2.633 757 2HD1 ILE 96 HD12 ILE 96 -5.806 0.452 -0.948 758 3HD1 ILE 96 HD11 ILE 96 -6.147 2.138 -1.340 759 H ALA 97 HN ALA 97 -4.083 -3.092 -2.401 760 HA ALA 97 HA ALA 97 -1.248 -4.035 -2.325 761 1HB ALA 97 HB1 ALA 97 -3.900 -5.414 -2.161 762 2HB ALA 97 HB3 ALA 97 -2.549 -6.287 -2.884 763 3HB ALA 97 HB2 ALA 97 -2.431 -5.696 -1.226 764 H GLY 98 HN GLY 98 -3.977 -3.351 -4.406 765 1HA GLY 98 HA2 GLY 98 -2.626 -2.882 -6.756 766 2HA GLY 98 HA1 GLY 98 -2.822 -4.636 -6.762 767 H GLY 99 HN GLY 99 -5.830 -3.419 -8.514 768 1HA GLY 99 HA2 GLY 99 -3.042 -4.308 -8.823 769 2HA GLY 99 HA1 GLY 99 -4.196 -4.029 -10.129 770 H ALA 100 HN ALA 100 -2.639 -2.766 -11.298 771 HA ALA 100 HA ALA 100 -1.309 -0.474 -10.179 772 1HB ALA 100 HB2 ALA 100 -1.949 -1.323 -13.009 773 2HB ALA 100 HB1 ALA 100 -1.101 0.182 -12.657 774 3HB ALA 100 HB3 ALA 100 -0.389 -1.361 -12.187 775 H GLN 101 HN GLN 101 -4.452 -0.959 -11.691 776 HA GLN 101 HA GLN 101 -5.064 1.847 -12.037 777 1HB GLN 101 HB2 GLN 101 -6.208 -0.173 -13.156 778 2HB GLN 101 HB1 GLN 101 -7.102 -0.350 -11.645 779 1HG GLN 101 HG2 GLN 101 -8.042 1.858 -11.854 780 2HG GLN 101 HG1 GLN 101 -6.992 2.234 -13.220 781 1HE2 GLN 101 HE22 GLN 101 -8.856 0.043 -15.466 782 2HE2 GLN 101 HE21 GLN 101 -7.250 0.447 -15.092 783 H ILE 102 HN ILE 102 -5.381 -0.446 -9.394 784 HA ILE 102 HA ILE 102 -7.126 1.244 -7.788 785 HB ILE 102 HB ILE 102 -5.328 -1.021 -6.881 786 1HG1 ILE 102 HG12 ILE 102 -6.804 -1.748 -8.726 787 2HG1 ILE 102 HG11 ILE 102 -7.306 -2.469 -7.199 788 1HG2 ILE 102 HG23 ILE 102 -6.233 0.388 -5.073 789 2HG2 ILE 102 HG22 ILE 102 -7.863 0.163 -5.709 790 3HG2 ILE 102 HG21 ILE 102 -6.974 -1.212 -5.052 791 1HD1 ILE 102 HD11 ILE 102 -9.001 -0.626 -6.959 792 2HD1 ILE 102 HD13 ILE 102 -8.566 -0.079 -8.579 793 3HD1 ILE 102 HD12 ILE 102 -9.288 -1.672 -8.350 794 H PHE 103 HN PHE 103 -3.640 0.737 -8.073 795 HA PHE 103 HA PHE 103 -2.863 2.195 -5.732 796 1HB PHE 103 HB2 PHE 103 -1.469 1.539 -8.329 797 2HB PHE 103 HB1 PHE 103 -0.686 2.519 -7.091 798 HD1 PHE 103 HD1 PHE 103 -1.347 1.407 -4.574 799 HD2 PHE 103 HD2 PHE 103 -0.711 -0.662 -8.283 800 HE1 PHE 103 HE1 PHE 103 -0.745 -0.649 -3.323 801 HE2 PHE 103 HE2 PHE 103 -0.110 -2.717 -7.034 802 HZ PHE 103 HZ PHE 103 -0.127 -2.711 -4.554 803 H THR 104 HN THR 104 -2.889 3.243 -9.161 804 HA THR 104 HA THR 104 -2.372 5.997 -8.602 805 HB THR 104 HB THR 104 -4.022 5.102 -10.957 806 HG1 THR 104 HG1 THR 104 -2.499 3.659 -11.215 807 1HG2 THR 104 HG22 THR 104 -1.772 7.100 -10.595 808 2HG2 THR 104 HG21 THR 104 -2.648 6.807 -12.096 809 3HG2 THR 104 HG23 THR 104 -3.488 7.491 -10.705 810 H ALA 105 HN ALA 105 -5.247 4.088 -8.311 811 HA ALA 105 HA ALA 105 -7.172 6.234 -8.520 812 1HB ALA 105 HB2 ALA 105 -7.325 3.540 -7.134 813 2HB ALA 105 HB1 ALA 105 -8.698 4.621 -7.366 814 3HB ALA 105 HB3 ALA 105 -7.886 3.915 -8.763 815 H PHE 106 HN PHE 106 -5.277 4.859 -5.874 816 HA PHE 106 HA PHE 106 -6.441 6.926 -4.050 817 1HB PHE 106 HB2 PHE 106 -5.228 4.209 -3.505 818 2HB PHE 106 HB1 PHE 106 -5.468 5.405 -2.230 819 HD1 PHE 106 HD1 PHE 106 -7.750 6.176 -1.637 820 HD2 PHE 106 HD2 PHE 106 -7.092 3.046 -4.506 821 HE1 PHE 106 HE1 PHE 106 -10.132 5.509 -1.456 822 HE2 PHE 106 HE2 PHE 106 -9.473 2.379 -4.325 823 HZ PHE 106 HZ PHE 106 -10.993 3.610 -2.800 824 H LYS 107 HN LYS 107 -4.034 6.904 -6.045 825 HA LYS 107 HA LYS 107 -1.652 7.160 -4.453 826 1HB LYS 107 HB2 LYS 107 -0.727 8.320 -6.463 827 2HB LYS 107 HB1 LYS 107 -1.506 6.789 -6.861 828 1HG LYS 107 HG2 LYS 107 -2.564 8.067 -8.440 829 2HG LYS 107 HG1 LYS 107 -3.630 8.457 -7.090 830 1HD LYS 107 HD2 LYS 107 -2.714 10.561 -6.789 831 2HD LYS 107 HD1 LYS 107 -1.144 10.084 -7.439 832 1HE LYS 107 HE2 LYS 107 -2.077 11.462 -9.125 833 2HE LYS 107 HE1 LYS 107 -2.365 9.819 -9.697 834 1HZ LYS 107 HZ1 LYS 107 -4.503 10.485 -8.065 835 2HZ LYS 107 HZ3 LYS 107 -4.245 11.827 -9.069 836 3HZ LYS 107 HZ2 LYS 107 -4.510 10.295 -9.754 837 H ASP 108 HN ASP 108 -4.317 9.292 -5.098 838 HA ASP 108 HA ASP 108 -3.005 11.792 -4.556 839 1HB ASP 108 HB2 ASP 108 -5.334 11.386 -5.594 840 2HB ASP 108 HB1 ASP 108 -5.902 11.213 -3.932 841 H ASP 109 HN ASP 109 -4.826 9.533 -2.478 842 HA ASP 109 HA ASP 109 -3.953 11.088 -0.095 843 1HB ASP 109 HB2 ASP 109 -5.933 8.798 -0.318 844 2HB ASP 109 HB1 ASP 109 -5.615 9.750 1.132 845 H VAL 110 HN VAL 110 -1.904 9.706 -1.381 846 HA VAL 110 HA VAL 110 -1.533 7.167 0.104 847 HB VAL 110 HB VAL 110 -0.967 7.217 -2.300 848 1HG1 VAL 110 HG13 VAL 110 -0.254 9.710 -2.126 849 2HG1 VAL 110 HG12 VAL 110 1.319 9.069 -1.652 850 3HG1 VAL 110 HG11 VAL 110 0.641 8.662 -3.227 851 1HG2 VAL 110 HG22 VAL 110 0.417 5.958 -0.423 852 2HG2 VAL 110 HG21 VAL 110 0.986 5.969 -2.092 853 3HG2 VAL 110 HG23 VAL 110 1.690 7.076 -0.912 854 H ASP 111 HN ASP 111 0.195 6.870 1.581 855 HA ASP 111 HA ASP 111 1.727 9.307 2.359 856 1HB ASP 111 HB2 ASP 111 -0.406 8.711 3.809 857 2HB ASP 111 HB1 ASP 111 0.668 7.495 4.500 858 H THR 112 HN THR 112 1.375 5.964 3.588 859 HA THR 112 HA THR 112 4.302 5.705 3.733 860 HB THR 112 HB THR 112 2.280 3.517 4.244 861 HG1 THR 112 HG1 THR 112 2.492 5.876 5.474 862 1HG2 THR 112 HG21 THR 112 5.061 4.154 5.257 863 2HG2 THR 112 HG23 THR 112 4.043 2.882 5.934 864 3HG2 THR 112 HG22 THR 112 4.578 2.785 4.256 865 H LEU 113 HN LEU 113 5.458 5.028 2.004 866 HA LEU 113 HA LEU 113 4.065 3.419 -0.092 867 1HB LEU 113 HB2 LEU 113 6.435 5.288 -0.172 868 2HB LEU 113 HB1 LEU 113 6.128 4.136 -1.473 869 HG LEU 113 HG LEU 113 3.918 5.933 -0.507 870 1HD1 LEU 113 HD11 LEU 113 6.162 6.629 -2.416 871 2HD1 LEU 113 HD13 LEU 113 4.619 7.482 -2.401 872 3HD1 LEU 113 HD12 LEU 113 5.659 7.515 -0.977 873 1HD2 LEU 113 HD22 LEU 113 3.667 3.937 -2.128 874 2HD2 LEU 113 HD21 LEU 113 2.983 5.481 -2.643 875 3HD2 LEU 113 HD23 LEU 113 4.531 4.940 -3.295 876 H LEU 114 HN LEU 114 4.369 1.336 0.756 877 HA LEU 114 HA LEU 114 7.099 0.485 1.519 878 1HB LEU 114 HB2 LEU 114 4.447 -0.988 1.512 879 2HB LEU 114 HB1 LEU 114 5.969 -1.670 2.086 880 HG LEU 114 HG LEU 114 4.912 0.936 3.177 881 1HD1 LEU 114 HD12 LEU 114 4.341 -1.867 4.189 882 2HD1 LEU 114 HD11 LEU 114 3.943 -0.377 5.043 883 3HD1 LEU 114 HD13 LEU 114 3.155 -0.752 3.511 884 1HD2 LEU 114 HD23 LEU 114 7.281 0.308 3.583 885 2HD2 LEU 114 HD22 LEU 114 6.346 0.326 5.078 886 3HD2 LEU 114 HD21 LEU 114 6.742 -1.209 4.304 887 H VAL 115 HN VAL 115 8.427 -0.154 -0.102 888 HA VAL 115 HA VAL 115 7.222 -1.664 -2.385 889 HB VAL 115 HB VAL 115 7.926 0.601 -3.081 890 1HG1 VAL 115 HG11 VAL 115 9.759 0.674 -1.260 891 2HG1 VAL 115 HG13 VAL 115 10.763 -0.189 -2.425 892 3HG1 VAL 115 HG12 VAL 115 10.131 1.410 -2.819 893 1HG2 VAL 115 HG23 VAL 115 8.295 -1.578 -4.487 894 2HG2 VAL 115 HG22 VAL 115 9.045 -0.076 -5.027 895 3HG2 VAL 115 HG21 VAL 115 10.005 -1.283 -4.173 896 H THR 116 HN THR 116 8.261 -3.556 -2.950 897 HA THR 116 HA THR 116 10.625 -4.315 -1.286 898 HB THR 116 HB THR 116 8.682 -6.149 -2.720 899 HG1 THR 116 HG1 THR 116 7.946 -6.495 -0.525 900 1HG2 THR 116 HG22 THR 116 10.811 -6.630 -0.617 901 2HG2 THR 116 HG21 THR 116 9.684 -7.850 -1.209 902 3HG2 THR 116 HG23 THR 116 10.875 -7.145 -2.302 903 H ARG 117 HN ARG 117 12.363 -3.747 -2.568 904 HA ARG 117 HA ARG 117 12.316 -4.309 -5.463 905 1HB ARG 117 HB2 ARG 117 14.515 -3.178 -3.703 906 2HB ARG 117 HB1 ARG 117 14.534 -3.233 -5.466 907 1HG ARG 117 HG2 ARG 117 12.715 -1.702 -5.636 908 2HG ARG 117 HG1 ARG 117 12.327 -1.861 -3.923 909 1HD ARG 117 HD2 ARG 117 14.478 -0.809 -3.332 910 2HD ARG 117 HD1 ARG 117 14.873 -0.652 -5.044 911 HE ARG 117 HE ARG 117 13.010 1.032 -3.547 912 1HH1 ARG 117 HH21 ARG 117 13.939 -0.206 -6.656 913 2HH1 ARG 117 HH22 ARG 117 13.221 1.108 -7.527 914 1HH2 ARG 117 HH11 ARG 117 12.082 2.733 -4.687 915 2HH2 ARG 117 HH12 ARG 117 12.176 2.764 -6.417 916 H LEU 118 HN LEU 118 13.467 -5.951 -6.454 917 HA LEU 118 HA LEU 118 14.835 -7.889 -4.631 918 1HB LEU 118 HB2 LEU 118 12.965 -8.209 -6.899 919 2HB LEU 118 HB1 LEU 118 14.350 -9.300 -6.932 920 HG LEU 118 HG LEU 118 13.836 -9.885 -4.529 921 1HD1 LEU 118 HD11 LEU 118 12.503 -7.845 -4.042 922 2HD1 LEU 118 HD13 LEU 118 11.255 -8.415 -5.152 923 3HD1 LEU 118 HD12 LEU 118 11.604 -9.318 -3.679 924 1HD2 LEU 118 HD21 LEU 118 13.111 -11.258 -6.513 925 2HD2 LEU 118 HD23 LEU 118 12.056 -11.427 -5.110 926 3HD2 LEU 118 HD22 LEU 118 11.563 -10.414 -6.467 927 H ALA 119 HN ALA 119 16.919 -8.531 -5.153 928 HA ALA 119 HA ALA 119 18.453 -6.835 -6.925 929 1HB ALA 119 HB1 ALA 119 19.311 -7.999 -4.829 930 2HB ALA 119 HB3 ALA 119 19.324 -9.494 -5.766 931 3HB ALA 119 HB2 ALA 119 20.348 -8.142 -6.249 932 H GLY 120 HN GLY 120 17.022 -10.048 -7.188 933 1HA GLY 120 HA2 GLY 120 18.367 -10.732 -9.670 934 2HA GLY 120 HA1 GLY 120 16.971 -11.568 -8.989 935 H SER 121 HN SER 121 17.661 -10.384 -11.763 936 HA SER 121 HA SER 121 15.512 -8.399 -12.121 937 1HB SER 121 HB2 SER 121 17.512 -9.668 -14.001 938 2HB SER 121 HB1 SER 121 16.241 -8.588 -14.562 939 HG SER 121 HG SER 121 17.487 -7.022 -13.953 940 H PHE 122 HN PHE 122 13.570 -8.802 -13.202 941 HA PHE 122 HA PHE 122 13.071 -11.499 -14.311 942 1HB PHE 122 HB2 PHE 122 11.451 -10.312 -12.037 943 2HB PHE 122 HB1 PHE 122 11.007 -11.759 -12.943 944 HD1 PHE 122 HD2 PHE 122 12.603 -13.742 -12.944 945 HD2 PHE 122 HD1 PHE 122 13.015 -10.415 -10.257 946 HE1 PHE 122 HE2 PHE 122 14.054 -15.111 -11.470 947 HE2 PHE 122 HE1 PHE 122 14.466 -11.785 -8.784 948 HZ PHE 122 HZ PHE 122 14.986 -14.132 -9.391 949 H GLU 123 HN GLU 123 12.395 -10.885 -16.316 950 HA GLU 123 HA GLU 123 10.878 -8.418 -16.740 951 1HB GLU 123 HB2 GLU 123 12.579 -9.508 -18.356 952 2HB GLU 123 HB1 GLU 123 11.270 -10.613 -18.776 953 1HG GLU 123 HG2 GLU 123 9.848 -8.486 -19.140 954 2HG GLU 123 HG1 GLU 123 11.384 -7.619 -19.142 955 H GLY 124 HN GLY 124 8.686 -8.298 -17.377 956 1HA GLY 124 HA2 GLY 124 7.103 -10.809 -17.385 957 2HA GLY 124 HA1 GLY 124 6.671 -9.573 -16.203 958 H ASP 125 HN ASP 125 4.901 -8.499 -16.906 959 HA ASP 125 HA ASP 125 4.919 -7.415 -19.675 960 1HB ASP 125 HB2 ASP 125 2.739 -9.105 -18.433 961 2HB ASP 125 HB1 ASP 125 2.428 -8.020 -19.789 962 H THR 126 HN THR 126 3.358 -7.448 -16.477 963 HA THR 126 HA THR 126 2.272 -4.736 -16.929 964 HB THR 126 HB THR 126 2.150 -6.324 -14.359 965 HG1 THR 126 HG1 THR 126 1.039 -6.856 -16.781 966 1HG2 THR 126 HG23 THR 126 1.443 -3.823 -14.664 967 2HG2 THR 126 HG22 THR 126 0.045 -4.505 -15.496 968 3HG2 THR 126 HG21 THR 126 0.360 -4.923 -13.812 969 H LYS 127 HN LYS 127 3.353 -2.935 -16.301 970 HA LYS 127 HA LYS 127 5.750 -3.276 -14.558 971 1HB LYS 127 HB2 LYS 127 4.960 -1.083 -16.497 972 2HB LYS 127 HB1 LYS 127 6.381 -1.008 -15.454 973 1HG LYS 127 HG2 LYS 127 7.218 -3.112 -16.470 974 2HG LYS 127 HG1 LYS 127 5.820 -3.131 -17.546 975 1HD LYS 127 HD2 LYS 127 6.528 -1.196 -18.698 976 2HD LYS 127 HD1 LYS 127 7.648 -0.736 -17.414 977 1HE LYS 127 HE2 LYS 127 8.985 -1.638 -19.190 978 2HE LYS 127 HE1 LYS 127 8.932 -2.869 -17.928 979 1HZ LYS 127 HZ2 LYS 127 6.805 -2.985 -19.898 980 2HZ LYS 127 HZ1 LYS 127 8.359 -3.351 -20.479 981 3HZ LYS 127 HZ3 LYS 127 7.705 -4.241 -19.192 982 H MET 128 HN MET 128 6.166 -1.218 -13.167 983 HA MET 128 HA MET 128 3.691 -0.706 -11.626 984 1HB MET 128 HB2 MET 128 6.178 -1.280 -10.769 985 2HB MET 128 HB1 MET 128 6.297 0.479 -10.803 986 1HG MET 128 HG2 MET 128 3.906 -0.832 -9.538 987 2HG MET 128 HG1 MET 128 5.413 -0.694 -8.633 988 1HE MET 128 HE3 MET 128 2.210 0.609 -8.885 989 2HE MET 128 HE2 MET 128 3.035 0.604 -7.328 990 3HE MET 128 HE1 MET 128 2.415 2.117 -7.983 991 H ILE 129 HN ILE 129 2.851 1.377 -11.298 992 HA ILE 129 HA ILE 129 3.224 3.281 -13.421 993 HB ILE 129 HB ILE 129 1.787 4.761 -11.995 994 1HG1 ILE 129 HG12 ILE 129 1.722 2.432 -10.066 995 2HG1 ILE 129 HG11 ILE 129 2.806 3.805 -9.838 996 1HG2 ILE 129 HG22 ILE 129 1.029 1.884 -12.502 997 2HG2 ILE 129 HG21 ILE 129 -0.135 3.033 -11.843 998 3HG2 ILE 129 HG23 ILE 129 0.582 3.316 -13.429 999 1HD1 ILE 129 HD13 ILE 129 0.683 5.264 -10.121 1000 2HD1 ILE 129 HD12 ILE 129 -0.209 3.772 -9.822 1001 3HD1 ILE 129 HD11 ILE 129 0.891 4.402 -8.595 1002 HA PRO 130 HA PRO 130 6.475 5.848 -11.796 1003 1HB PRO 130 HB2 PRO 130 5.567 8.333 -12.706 1004 2HB PRO 130 HB1 PRO 130 6.506 7.165 -13.646 1005 1HG PRO 130 HG2 PRO 130 3.781 7.960 -14.024 1006 2HG PRO 130 HG1 PRO 130 4.734 6.815 -14.979 1007 1HD PRO 130 HD2 PRO 130 2.688 6.272 -12.962 1008 2HD PRO 130 HD1 PRO 130 3.406 5.175 -14.153 1009 H LEU 131 HN LEU 131 6.510 6.124 -9.592 1010 HA LEU 131 HA LEU 131 4.394 7.773 -8.308 1011 1HB LEU 131 HB2 LEU 131 6.555 6.006 -7.119 1012 2HB LEU 131 HB1 LEU 131 5.354 6.896 -6.183 1013 HG LEU 131 HG LEU 131 4.595 4.925 -8.348 1014 1HD1 LEU 131 HD12 LEU 131 4.932 4.481 -5.366 1015 2HD1 LEU 131 HD11 LEU 131 4.128 3.352 -6.458 1016 3HD1 LEU 131 HD13 LEU 131 5.846 3.697 -6.656 1017 1HD2 LEU 131 HD21 LEU 131 3.149 6.339 -6.096 1018 2HD2 LEU 131 HD23 LEU 131 2.801 6.415 -7.824 1019 3HD2 LEU 131 HD22 LEU 131 2.465 4.939 -6.920 1020 H ASN 132 HN ASN 132 4.914 9.654 -7.144 1021 HA ASN 132 HA ASN 132 7.436 10.953 -7.932 1022 1HB ASN 132 HB2 ASN 132 5.106 12.069 -7.847 1023 2HB ASN 132 HB1 ASN 132 5.339 12.117 -6.099 1024 1HD2 ASN 132 HD22 ASN 132 7.090 15.149 -6.485 1025 2HD2 ASN 132 HD21 ASN 132 5.840 14.304 -5.707 1026 H TRP 133 HN TRP 133 8.940 9.674 -6.697 1027 HA TRP 133 HA TRP 133 8.709 9.339 -3.839 1028 1HB TRP 133 HB2 TRP 133 11.132 9.196 -5.659 1029 2HB TRP 133 HB1 TRP 133 11.103 8.669 -3.976 1030 HD1 TRP 133 HD1 TRP 133 10.070 7.645 -7.451 1031 HE1 TRP 133 HE1 TRP 133 9.056 5.274 -7.385 1032 HE3 TRP 133 HE3 TRP 133 9.692 6.988 -2.401 1033 HZ2 TRP 133 HZ2 TRP 133 8.199 3.354 -5.446 1034 HZ3 TRP 133 HZ3 TRP 133 8.774 4.881 -1.472 1035 HH2 TRP 133 HH2 TRP 133 8.028 3.065 -2.987 1036 H ASP 134 HN ASP 134 9.654 11.981 -5.828 1037 HA ASP 134 HA ASP 134 11.524 13.294 -4.110 1038 1HB ASP 134 HB2 ASP 134 9.756 14.087 -6.369 1039 2HB ASP 134 HB1 ASP 134 10.316 15.385 -5.314 1040 H ASP 135 HN ASP 135 8.041 13.006 -4.019 1041 HA ASP 135 HA ASP 135 7.818 15.093 -1.928 1042 1HB ASP 135 HB2 ASP 135 6.119 14.672 -3.861 1043 2HB ASP 135 HB1 ASP 135 5.563 13.328 -2.863 1044 H PHE 136 HN PHE 136 9.308 12.582 -1.444 1045 HA PHE 136 HA PHE 136 7.905 11.800 1.036 1046 1HB PHE 136 HB2 PHE 136 8.712 9.815 -1.112 1047 2HB PHE 136 HB1 PHE 136 8.231 9.370 0.527 1048 HD1 PHE 136 HD2 PHE 136 5.934 10.346 1.352 1049 HD2 PHE 136 HD1 PHE 136 7.078 10.004 -2.774 1050 HE1 PHE 136 HE2 PHE 136 3.548 10.456 0.681 1051 HE2 PHE 136 HE1 PHE 136 4.693 10.115 -3.445 1052 HZ PHE 136 HZ PHE 136 2.928 10.340 -1.717 1053 H THR 137 HN THR 137 9.383 10.474 2.444 1054 HA THR 137 HA THR 137 12.264 10.778 1.753 1055 HB THR 137 HB THR 137 11.213 11.513 4.488 1056 HG1 THR 137 HG1 THR 137 10.291 12.953 3.049 1057 1HG2 THR 137 HG21 THR 137 13.681 10.919 3.926 1058 2HG2 THR 137 HG23 THR 137 13.710 12.487 3.119 1059 3HG2 THR 137 HG22 THR 137 13.363 12.390 4.846 1060 H LYS 138 HN LYS 138 13.476 9.038 2.417 1061 HA LYS 138 HA LYS 138 12.128 6.677 3.394 1062 1HB LYS 138 HB2 LYS 138 14.239 6.811 1.918 1063 2HB LYS 138 HB1 LYS 138 15.119 7.101 3.420 1064 1HG LYS 138 HG2 LYS 138 14.551 4.987 4.300 1065 2HG LYS 138 HG1 LYS 138 13.231 4.764 3.151 1066 1HD LYS 138 HD2 LYS 138 15.026 3.372 2.386 1067 2HD LYS 138 HD1 LYS 138 14.991 4.771 1.311 1068 1HE LYS 138 HE2 LYS 138 17.286 4.466 1.895 1069 2HE LYS 138 HE1 LYS 138 16.725 5.832 2.860 1070 1HZ LYS 138 HZ1 LYS 138 16.237 4.148 4.646 1071 2HZ LYS 138 HZ3 LYS 138 17.126 3.030 3.731 1072 3HZ LYS 138 HZ2 LYS 138 17.881 4.432 4.326 1073 H VAL 139 HN VAL 139 12.356 5.671 5.449 1074 HA VAL 139 HA VAL 139 13.670 7.262 7.591 1075 HB VAL 139 HB VAL 139 11.656 6.910 9.043 1076 1HG1 VAL 139 HG13 VAL 139 12.076 9.039 7.788 1077 2HG1 VAL 139 HG12 VAL 139 11.069 8.419 6.479 1078 3HG1 VAL 139 HG11 VAL 139 10.362 8.724 8.066 1079 1HG2 VAL 139 HG21 VAL 139 10.463 5.987 6.410 1080 2HG2 VAL 139 HG23 VAL 139 10.649 5.025 7.876 1081 3HG2 VAL 139 HG22 VAL 139 9.515 6.376 7.845 1082 H SER 140 HN SER 140 12.323 4.224 6.443 1083 HA SER 140 HA SER 140 14.151 2.783 8.289 1084 1HB SER 140 HB2 SER 140 11.313 1.828 7.946 1085 2HB SER 140 HB1 SER 140 12.484 1.373 9.180 1086 HG SER 140 HG SER 140 12.103 3.204 10.236 1087 H SER 141 HN SER 141 14.688 0.650 7.516 1088 HA SER 141 HA SER 141 13.600 -0.246 4.936 1089 1HB SER 141 HB2 SER 141 15.823 -0.264 3.831 1090 2HB SER 141 HB1 SER 141 15.299 1.373 4.214 1091 HG SER 141 HG SER 141 17.426 1.093 4.880 1092 H ARG 142 HN ARG 142 13.264 -2.361 5.403 1093 HA ARG 142 HA ARG 142 15.084 -3.772 7.258 1094 1HB ARG 142 HB2 ARG 142 12.509 -3.943 7.292 1095 2HB ARG 142 HB1 ARG 142 12.685 -4.960 5.860 1096 1HG ARG 142 HG2 ARG 142 12.694 -6.506 7.646 1097 2HG ARG 142 HG1 ARG 142 14.404 -6.293 7.268 1098 1HD ARG 142 HD2 ARG 142 14.716 -4.793 9.112 1099 2HD ARG 142 HD1 ARG 142 12.978 -4.663 9.382 1100 HE ARG 142 HE ARG 142 13.045 -6.726 10.539 1101 1HH1 ARG 142 HH21 ARG 142 15.978 -6.178 8.758 1102 2HH1 ARG 142 HH22 ARG 142 16.801 -7.527 9.468 1103 1HH2 ARG 142 HH11 ARG 142 14.125 -8.472 11.454 1104 2HH2 ARG 142 HH12 ARG 142 15.756 -8.818 10.987 1105 H THR 143 HN THR 143 16.949 -4.358 6.197 1106 HA THR 143 HA THR 143 16.853 -5.351 3.428 1107 HB THR 143 HB THR 143 19.252 -5.374 5.266 1108 HG1 THR 143 HG1 THR 143 19.579 -3.257 4.138 1109 1HG2 THR 143 HG23 THR 143 18.864 -5.168 2.269 1110 2HG2 THR 143 HG22 THR 143 20.421 -5.003 3.080 1111 3HG2 THR 143 HG21 THR 143 19.545 -6.532 3.155 1112 H VAL 144 HN VAL 144 17.139 -7.497 2.822 1113 HA VAL 144 HA VAL 144 17.706 -9.517 4.910 1114 HB VAL 144 HB VAL 144 15.249 -9.264 4.934 1115 1HG1 VAL 144 HG12 VAL 144 15.079 -8.442 2.567 1116 2HG1 VAL 144 HG11 VAL 144 15.355 -10.097 2.022 1117 3HG1 VAL 144 HG13 VAL 144 13.914 -9.707 2.960 1118 1HG2 VAL 144 HG22 VAL 144 16.398 -11.531 5.174 1119 2HG2 VAL 144 HG21 VAL 144 14.700 -11.583 4.697 1120 3HG2 VAL 144 HG23 VAL 144 15.963 -11.827 3.490 1121 H GLU 145 HN GLU 145 19.031 -11.062 4.078 1122 HA GLU 145 HA GLU 145 19.316 -11.186 1.105 1123 1HB GLU 145 HB2 GLU 145 21.250 -11.915 3.325 1124 2HB GLU 145 HB1 GLU 145 21.561 -12.188 1.610 1125 1HG GLU 145 HG2 GLU 145 21.360 -9.788 1.163 1126 2HG GLU 145 HG1 GLU 145 20.968 -9.486 2.856 1127 H ASP 146 HN ASP 146 18.454 -12.968 0.178 1128 HA ASP 146 HA ASP 146 17.618 -15.251 1.807 1129 1HB ASP 146 HB2 ASP 146 16.463 -14.228 -0.316 1130 2HB ASP 146 HB1 ASP 146 17.604 -15.242 -1.201 1131 H THR 147 HN THR 147 18.107 -17.414 0.137 1132 HA THR 147 HA THR 147 20.854 -18.040 0.791 1133 HB THR 147 HB THR 147 20.359 -20.137 -0.564 1134 HG1 THR 147 HG1 THR 147 18.286 -18.549 -1.269 1135 1HG2 THR 147 HG21 THR 147 18.420 -19.315 1.617 1136 2HG2 THR 147 HG23 THR 147 18.692 -20.974 1.081 1137 3HG2 THR 147 HG22 THR 147 19.997 -20.071 1.851 1138 H ASN 148 HN ASN 148 19.144 -17.311 -2.250 1139 HA ASN 148 HA ASN 148 21.771 -17.258 -3.652 1140 1HB ASN 148 HB2 ASN 148 19.697 -18.559 -4.525 1141 2HB ASN 148 HB1 ASN 148 19.082 -16.972 -4.985 1142 1HD2 ASN 148 HD22 ASN 148 21.899 -18.729 -7.267 1143 2HD2 ASN 148 HD21 ASN 148 21.139 -19.532 -5.979 1144 HA PRO 149 HA PRO 149 22.052 -12.813 -3.490 1145 1HB PRO 149 HB2 PRO 149 22.950 -12.695 -6.249 1146 2HB PRO 149 HB1 PRO 149 23.872 -12.410 -4.769 1147 1HG PRO 149 HG2 PRO 149 23.919 -14.707 -6.483 1148 2HG PRO 149 HG1 PRO 149 24.892 -14.386 -5.042 1149 1HD PRO 149 HD2 PRO 149 22.868 -16.316 -5.282 1150 2HD PRO 149 HD1 PRO 149 23.629 -15.773 -3.780 1151 H ALA 150 HN ALA 150 20.707 -14.279 -6.453 1152 HA ALA 150 HA ALA 150 19.287 -11.975 -7.362 1153 1HB ALA 150 HB1 ALA 150 19.673 -13.981 -8.764 1154 2HB ALA 150 HB3 ALA 150 18.579 -14.902 -7.732 1155 3HB ALA 150 HB2 ALA 150 17.961 -13.562 -8.698 1156 H LEU 151 HN LEU 151 18.496 -14.453 -4.986 1157 HA LEU 151 HA LEU 151 15.719 -13.566 -4.705 1158 1HB LEU 151 HB2 LEU 151 17.475 -15.515 -3.208 1159 2HB LEU 151 HB1 LEU 151 15.860 -15.096 -2.633 1160 HG LEU 151 HG LEU 151 16.416 -16.090 -5.438 1161 1HD1 LEU 151 HD12 LEU 151 17.015 -17.817 -3.770 1162 2HD1 LEU 151 HD11 LEU 151 15.431 -17.631 -3.016 1163 3HD1 LEU 151 HD13 LEU 151 15.557 -18.264 -4.657 1164 1HD2 LEU 151 HD22 LEU 151 13.926 -15.635 -3.773 1165 2HD2 LEU 151 HD21 LEU 151 14.346 -14.886 -5.314 1166 3HD2 LEU 151 HD23 LEU 151 13.920 -16.596 -5.252 1167 H THR 152 HN THR 152 18.150 -11.743 -4.188 1168 HA THR 152 HA THR 152 17.784 -11.091 -1.326 1169 HB THR 152 HB THR 152 19.500 -9.701 -3.407 1170 HG1 THR 152 HG1 THR 152 19.888 -12.023 -2.886 1171 1HG2 THR 152 HG21 THR 152 18.845 -8.548 -1.188 1172 2HG2 THR 152 HG23 THR 152 19.876 -9.753 -0.416 1173 3HG2 THR 152 HG22 THR 152 20.561 -8.628 -1.591 1174 H HIS 153 HN HIS 153 16.742 -9.227 -0.604 1175 HA HIS 153 HA HIS 153 15.843 -7.178 -2.496 1176 1HB HIS 153 HB2 HIS 153 13.423 -7.498 -1.905 1177 2HB HIS 153 HB1 HIS 153 14.090 -8.821 -2.860 1178 HD1 HIS 153 HD1 HIS 153 15.068 -10.889 -1.270 1179 HD2 HIS 153 HD2 HIS 153 12.179 -8.385 0.393 1180 HE1 HIS 153 HE1 HIS 153 14.087 -12.137 0.704 1181 H THR 154 HN THR 154 14.557 -5.463 -1.284 1182 HA THR 154 HA THR 154 15.126 -5.456 1.639 1183 HB THR 154 HB THR 154 15.739 -3.109 -0.179 1184 HG1 THR 154 HG1 THR 154 17.092 -5.134 -0.282 1185 1HG2 THR 154 HG21 THR 154 15.914 -3.672 2.755 1186 2HG2 THR 154 HG23 THR 154 17.127 -2.619 2.026 1187 3HG2 THR 154 HG22 THR 154 15.417 -2.197 1.926 1188 H TYR 155 HN TYR 155 13.547 -4.397 2.837 1189 HA TYR 155 HA TYR 155 11.139 -3.542 1.325 1190 1HB TYR 155 HB2 TYR 155 11.594 -4.179 4.254 1191 2HB TYR 155 HB1 TYR 155 10.057 -3.610 3.601 1192 HD1 TYR 155 HD1 TYR 155 8.749 -5.002 2.047 1193 HD2 TYR 155 HD2 TYR 155 12.415 -6.416 3.784 1194 HE1 TYR 155 HE1 TYR 155 8.182 -7.318 1.361 1195 HE2 TYR 155 HE2 TYR 155 11.847 -8.731 3.099 1196 HH TYR 155 HH TYR 155 9.329 -9.431 0.905 1197 H GLU 156 HN GLU 156 11.578 -1.424 0.694 1198 HA GLU 156 HA GLU 156 12.719 0.509 2.576 1199 1HB GLU 156 HB2 GLU 156 11.595 0.747 -0.225 1200 2HB GLU 156 HB1 GLU 156 12.187 2.135 0.689 1201 1HG GLU 156 HG2 GLU 156 14.328 0.667 1.033 1202 2HG GLU 156 HG1 GLU 156 13.724 -0.225 -0.364 1203 H VAL 157 HN VAL 157 11.583 2.061 3.722 1204 HA VAL 157 HA VAL 157 8.605 2.046 3.423 1205 HB VAL 157 HB VAL 157 10.150 2.388 6.011 1206 1HG1 VAL 157 HG12 VAL 157 7.214 2.183 5.305 1207 2HG1 VAL 157 HG11 VAL 157 7.816 1.944 6.945 1208 3HG1 VAL 157 HG13 VAL 157 8.034 3.500 6.143 1209 1HG2 VAL 157 HG21 VAL 157 8.936 -0.006 4.659 1210 2HG2 VAL 157 HG23 VAL 157 10.451 0.118 5.554 1211 3HG2 VAL 157 HG22 VAL 157 8.915 0.093 6.420 1212 H TRP 158 HN TRP 158 8.191 3.985 2.453 1213 HA TRP 158 HA TRP 158 9.692 6.390 3.381 1214 1HB TRP 158 HB2 TRP 158 7.984 5.933 0.916 1215 2HB TRP 158 HB1 TRP 158 8.772 7.457 1.320 1216 HD1 TRP 158 HD1 TRP 158 9.867 3.749 1.006 1217 HE1 TRP 158 HE1 TRP 158 12.165 3.695 -0.163 1218 HE3 TRP 158 HE3 TRP 158 10.654 8.755 0.377 1219 HZ2 TRP 158 HZ2 TRP 158 14.083 5.533 -1.224 1220 HZ3 TRP 158 HZ3 TRP 158 12.723 9.576 -0.715 1221 HH2 TRP 158 HH2 TRP 158 14.436 7.973 -1.515 1222 H GLN 159 HN GLN 159 8.344 8.419 3.562 1223 HA GLN 159 HA GLN 159 5.488 7.973 4.193 1224 1HB GLN 159 HB2 GLN 159 7.581 8.803 6.207 1225 2HB GLN 159 HB1 GLN 159 5.882 9.228 6.413 1226 1HG GLN 159 HG2 GLN 159 5.333 6.771 6.130 1227 2HG GLN 159 HG1 GLN 159 7.066 6.448 6.209 1228 1HE2 GLN 159 HE22 GLN 159 5.053 7.524 9.609 1229 2HE2 GLN 159 HE21 GLN 159 4.305 7.688 8.095 1230 H LYS 160 HN LYS 160 4.269 9.870 3.976 1231 HA LYS 160 HA LYS 160 5.429 11.999 2.412 1232 1HB LYS 160 HB2 LYS 160 2.970 11.186 2.474 1233 2HB LYS 160 HB1 LYS 160 2.814 12.206 3.903 1234 1HG LYS 160 HG2 LYS 160 3.781 14.103 2.502 1235 2HG LYS 160 HG1 LYS 160 3.562 13.057 1.099 1236 1HD LYS 160 HD2 LYS 160 1.594 14.426 1.248 1237 2HD LYS 160 HD1 LYS 160 1.132 12.815 1.798 1238 1HE LYS 160 HE2 LYS 160 1.117 13.461 4.067 1239 2HE LYS 160 HE1 LYS 160 2.073 14.909 3.752 1240 1HZ LYS 160 HZ3 LYS 160 -0.140 15.189 2.174 1241 2HZ LYS 160 HZ2 LYS 160 -0.755 14.538 3.618 1242 3HZ LYS 160 HZ1 LYS 160 0.145 15.979 3.648 1243 H LYS 161 HN LYS 161 6.784 13.488 3.278 1244 HA LYS 161 HA LYS 161 5.983 14.858 5.779 1245 1HB LYS 161 HB2 LYS 161 7.571 12.915 6.309 1246 2HB LYS 161 HB1 LYS 161 8.806 13.829 5.442 1247 1HG LYS 161 HG2 LYS 161 8.578 15.700 6.964 1248 2HG LYS 161 HG1 LYS 161 7.199 14.940 7.759 1249 1HD LYS 161 HD2 LYS 161 8.717 13.020 8.375 1250 2HD LYS 161 HD1 LYS 161 10.069 13.973 7.763 1251 1HE LYS 161 HE2 LYS 161 8.186 15.154 9.790 1252 2HE LYS 161 HE1 LYS 161 9.497 14.097 10.309 1253 1HZ LYS 161 HZ1 LYS 161 10.017 16.350 8.479 1254 2HZ LYS 161 HZ3 LYS 161 9.929 16.605 10.154 1255 3HZ LYS 161 HZ2 LYS 161 11.095 15.546 9.518 1256 H ALA 162 HN ALA 162 6.559 17.018 5.752 1257 HA ALA 162 HA ALA 162 8.649 18.012 3.953 1258 1HB ALA 162 HB2 ALA 162 5.716 18.407 3.384 1259 2HB ALA 162 HB1 ALA 162 6.896 19.619 2.887 1260 3HB ALA 162 HB3 ALA 162 7.010 17.973 2.265 1261 1H9 TMQ 170 H91 TMQ 170 -0.360 -9.780 -6.708 1262 2H9 TMQ 170 H92 TMQ 170 -1.302 -10.544 -5.418 1263 HN1 TMQ 170 H1N TMQ 170 0.286 -11.871 -7.348 1264 1H17 TMQ 170 HM1 TMQ 170 -1.528 -8.618 -4.966 1265 2H17 TMQ 170 HM2 TMQ 170 -0.792 -7.094 -4.476 1266 3H17 TMQ 170 HM3 TMQ 170 -1.512 -8.162 -3.263 1267 1H21 TMQ 170 HW11 TMQ 170 -0.963 -12.357 -1.789 1268 2H21 TMQ 170 HW12 TMQ 170 -2.315 -13.025 -0.859 1269 3H21 TMQ 170 HW13 TMQ 170 -2.592 -12.373 -2.482 1270 1H22 TMQ 170 HI1 TMQ 170 1.840 -16.471 -3.113 1271 2H22 TMQ 170 HI2 TMQ 170 0.966 -17.398 -1.884 1272 3H22 TMQ 170 HI3 TMQ 170 0.989 -15.630 -1.809 1273 1H23 TMQ 170 HW21 TMQ 170 2.042 -15.918 -7.455 1274 2H23 TMQ 170 HW22 TMQ 170 3.021 -15.387 -6.079 1275 3H23 TMQ 170 HW23 TMQ 170 3.037 -17.087 -6.573 1276 1HN2 TMQ 170 HN21 TMQ 170 5.270 -7.889 -0.322 1277 2HN2 TMQ 170 HN22 TMQ 170 4.311 -6.573 0.268 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.583 -6.541 -2.581 1279 2HN5 TMQ 170 HN42 TMQ 170 0.207 -5.661 -1.346 1280 HN TMQ 170 H1 TMQ 170 4.456 -9.238 -1.980 1281 H7 TMQ 170 H7 TMQ 170 2.120 -11.504 -5.339 1282 H8 TMQ 170 H8 TMQ 170 3.810 -10.784 -3.714 1283 H12 TMQ 170 HP2 TMQ 170 -1.368 -12.066 -4.129 1284 H16 TMQ 170 HP6 TMQ 170 1.250 -14.056 -6.932 No H/Q in entry = 1284 Start of MODEL 3 1 1H THR 1 HT1 THR 1 -3.362 5.922 4.833 2 2H THR 1 HT3 THR 1 -4.012 7.069 3.767 3 3H THR 1 HT2 THR 1 -5.035 5.954 4.539 4 HA THR 1 HA THR 1 -4.619 4.330 3.079 5 HB THR 1 HB THR 1 -3.334 6.540 1.459 6 HG1 THR 1 HG1 THR 1 -6.061 6.110 1.332 7 1HG2 THR 1 HG21 THR 1 -3.357 4.279 0.467 8 2HG2 THR 1 HG23 THR 1 -5.101 4.192 0.716 9 3HG2 THR 1 HG22 THR 1 -4.428 5.372 -0.409 10 H ALA 2 HN ALA 2 -3.113 2.775 2.484 11 HA ALA 2 HA ALA 2 -0.225 3.491 2.732 12 1HB ALA 2 HB3 ALA 2 -1.120 2.355 4.818 13 2HB ALA 2 HB2 ALA 2 -1.434 0.935 3.821 14 3HB ALA 2 HB1 ALA 2 0.218 1.515 4.034 15 H PHE 3 HN PHE 3 0.922 2.778 0.998 16 HA PHE 3 HA PHE 3 -0.422 0.948 -0.915 17 1HB PHE 3 HB2 PHE 3 1.866 2.891 -1.092 18 2HB PHE 3 HB1 PHE 3 1.712 1.608 -2.292 19 HD1 PHE 3 HD2 PHE 3 -0.717 3.847 -0.498 20 HD2 PHE 3 HD1 PHE 3 0.727 2.352 -4.256 21 HE1 PHE 3 HE2 PHE 3 -2.455 5.157 -1.688 22 HE2 PHE 3 HE1 PHE 3 -1.010 3.661 -5.446 23 HZ PHE 3 HZ PHE 3 -2.600 5.063 -4.162 24 H LEU 4 HN LEU 4 0.865 -0.831 -1.864 25 HA LEU 4 HA LEU 4 3.327 -1.725 -0.650 26 1HB LEU 4 HB2 LEU 4 1.718 -2.172 1.220 27 2HB LEU 4 HB1 LEU 4 0.822 -3.243 0.143 28 HG LEU 4 HG LEU 4 3.144 -4.396 -0.221 29 1HD1 LEU 4 HD11 LEU 4 3.551 -2.711 2.242 30 2HD1 LEU 4 HD13 LEU 4 4.391 -4.251 2.064 31 3HD1 LEU 4 HD12 LEU 4 4.646 -2.967 0.884 32 1HD2 LEU 4 HD21 LEU 4 1.417 -4.591 2.252 33 2HD2 LEU 4 HD23 LEU 4 1.387 -5.619 0.820 34 3HD2 LEU 4 HD22 LEU 4 2.739 -5.719 1.949 35 H TRP 5 HN TRP 5 4.159 -2.466 -2.558 36 HA TRP 5 HA TRP 5 2.688 -4.639 -3.939 37 1HB TRP 5 HB2 TRP 5 3.063 -3.623 -6.145 38 2HB TRP 5 HB1 TRP 5 2.099 -2.550 -5.133 39 HD1 TRP 5 HD1 TRP 5 5.118 -2.608 -7.228 40 HE1 TRP 5 HE1 TRP 5 6.510 -0.465 -6.901 41 HE3 TRP 5 HE3 TRP 5 2.876 -0.721 -3.040 42 HZ2 TRP 5 HZ2 TRP 5 6.657 1.753 -5.106 43 HZ3 TRP 5 HZ3 TRP 5 3.668 1.405 -2.044 44 HH2 TRP 5 HH2 TRP 5 5.553 2.644 -3.072 45 H ALA 6 HN ALA 6 4.079 -6.055 -5.130 46 HA ALA 6 HA ALA 6 6.921 -5.898 -4.269 47 1HB ALA 6 HB2 ALA 6 5.189 -8.138 -5.329 48 2HB ALA 6 HB1 ALA 6 6.940 -8.297 -5.185 49 3HB ALA 6 HB3 ALA 6 5.958 -8.015 -3.747 50 H GLN 7 HN GLN 7 8.251 -4.924 -5.719 51 HA GLN 7 HA GLN 7 7.910 -5.599 -8.606 52 1HB GLN 7 HB2 GLN 7 8.496 -3.223 -9.151 53 2HB GLN 7 HB1 GLN 7 6.943 -3.384 -8.330 54 1HG GLN 7 HG2 GLN 7 7.800 -2.586 -6.286 55 2HG GLN 7 HG1 GLN 7 9.470 -2.900 -6.760 56 1HE2 GLN 7 HE22 GLN 7 9.865 0.385 -7.935 57 2HE2 GLN 7 HE21 GLN 7 10.559 -0.991 -7.221 58 H ASP 8 HN ASP 8 9.886 -5.587 -9.801 59 HA ASP 8 HA ASP 8 12.307 -5.804 -8.080 60 1HB ASP 8 HB2 ASP 8 13.295 -6.924 -10.121 61 2HB ASP 8 HB1 ASP 8 11.921 -7.776 -9.418 62 H ARG 9 HN ARG 9 14.386 -5.059 -9.258 63 HA ARG 9 HA ARG 9 14.228 -2.255 -9.754 64 1HB ARG 9 HB2 ARG 9 16.588 -2.503 -10.559 65 2HB ARG 9 HB1 ARG 9 16.305 -3.271 -8.997 66 1HG ARG 9 HG2 ARG 9 16.264 -5.443 -9.943 67 2HG ARG 9 HG1 ARG 9 16.052 -4.815 -11.579 68 1HD ARG 9 HD2 ARG 9 18.347 -5.481 -11.416 69 2HD ARG 9 HD1 ARG 9 18.338 -3.719 -11.321 70 HE ARG 9 HE ARG 9 18.182 -4.668 -8.668 71 1HH1 ARG 9 HH21 ARG 9 20.363 -4.801 -11.370 72 2HH1 ARG 9 HH22 ARG 9 21.776 -4.921 -10.375 73 1HH2 ARG 9 HH11 ARG 9 20.022 -4.825 -7.388 74 2HH2 ARG 9 HH12 ARG 9 21.582 -4.935 -8.132 75 H ASP 10 HN ASP 10 13.643 -4.942 -11.827 76 HA ASP 10 HA ASP 10 14.252 -3.581 -14.331 77 1HB ASP 10 HB2 ASP 10 12.811 -6.128 -13.600 78 2HB ASP 10 HB1 ASP 10 12.800 -5.522 -15.257 79 H GLY 11 HN GLY 11 12.150 -2.603 -12.185 80 1HA GLY 11 HA2 GLY 11 10.172 -1.346 -12.279 81 2HA GLY 11 HA1 GLY 11 10.453 -1.215 -14.016 82 H LEU 12 HN LEU 12 9.985 -4.203 -12.159 83 HA LEU 12 HA LEU 12 7.548 -4.722 -13.816 84 1HB LEU 12 HB2 LEU 12 9.740 -6.234 -13.850 85 2HB LEU 12 HB1 LEU 12 9.001 -6.925 -12.405 86 HG LEU 12 HG LEU 12 6.846 -7.099 -13.814 87 1HD1 LEU 12 HD13 LEU 12 7.822 -5.598 -15.627 88 2HD1 LEU 12 HD12 LEU 12 8.841 -6.962 -16.086 89 3HD1 LEU 12 HD11 LEU 12 7.086 -7.096 -16.198 90 1HD2 LEU 12 HD21 LEU 12 8.580 -8.942 -13.178 91 2HD2 LEU 12 HD23 LEU 12 7.430 -9.284 -14.470 92 3HD2 LEU 12 HD22 LEU 12 9.086 -8.823 -14.863 93 H ILE 13 HN ILE 13 5.874 -6.080 -12.690 94 HA ILE 13 HA ILE 13 5.901 -5.792 -9.728 95 HB ILE 13 HB ILE 13 3.547 -4.964 -9.801 96 1HG1 ILE 13 HG12 ILE 13 3.163 -3.870 -12.253 97 2HG1 ILE 13 HG11 ILE 13 4.050 -5.325 -12.711 98 1HG2 ILE 13 HG22 ILE 13 5.646 -3.324 -11.247 99 2HG2 ILE 13 HG21 ILE 13 4.131 -2.661 -10.631 100 3HG2 ILE 13 HG23 ILE 13 5.317 -3.338 -9.515 101 1HD1 ILE 13 HD11 ILE 13 1.855 -5.642 -10.718 102 2HD1 ILE 13 HD13 ILE 13 1.387 -5.332 -12.390 103 3HD1 ILE 13 HD12 ILE 13 2.378 -6.737 -11.998 104 H GLY 14 HN GLY 14 4.735 -7.370 -12.622 105 1HA GLY 14 HA2 GLY 14 4.326 -9.867 -11.233 106 2HA GLY 14 HA1 GLY 14 2.779 -9.110 -11.619 107 H LYS 15 HN LYS 15 2.884 -11.336 -12.893 108 HA LYS 15 HA LYS 15 3.161 -10.643 -15.698 109 1HB LYS 15 HB2 LYS 15 5.541 -11.206 -14.951 110 2HB LYS 15 HB1 LYS 15 4.971 -12.857 -14.709 111 1HG LYS 15 HG2 LYS 15 4.043 -12.613 -17.149 112 2HG LYS 15 HG1 LYS 15 5.216 -11.300 -17.269 113 1HD LYS 15 HD2 LYS 15 7.034 -12.801 -16.680 114 2HD LYS 15 HD1 LYS 15 5.898 -14.116 -16.378 115 1HE LYS 15 HE2 LYS 15 6.905 -14.385 -18.595 116 2HE LYS 15 HE1 LYS 15 5.187 -14.019 -18.757 117 1HZ LYS 15 HZ2 LYS 15 6.139 -11.574 -18.786 118 2HZ LYS 15 HZ1 LYS 15 7.509 -12.370 -19.398 119 3HZ LYS 15 HZ3 LYS 15 6.022 -12.507 -20.202 120 H ASP 16 HN ASP 16 1.428 -11.642 -16.578 121 HA ASP 16 HA ASP 16 -0.246 -13.232 -16.981 122 1HB ASP 16 HB2 ASP 16 2.141 -14.825 -16.191 123 2HB ASP 16 HB1 ASP 16 0.587 -15.660 -16.147 124 H GLY 17 HN GLY 17 -0.190 -11.785 -14.428 125 1HA GLY 17 HA2 GLY 17 -1.792 -11.829 -12.653 126 2HA GLY 17 HA1 GLY 17 -2.032 -13.553 -12.944 127 H HIS 18 HN HIS 18 0.192 -14.818 -12.572 128 HA HIS 18 HA HIS 18 0.854 -14.410 -9.765 129 1HB HIS 18 HB2 HIS 18 2.379 -16.370 -10.132 130 2HB HIS 18 HB1 HIS 18 0.713 -16.682 -10.622 131 HD1 HIS 18 HD1 HIS 18 4.002 -15.554 -12.195 132 HD2 HIS 18 HD2 HIS 18 0.485 -17.531 -13.246 133 HE1 HIS 18 HE1 HIS 18 4.304 -16.333 -14.585 134 H LEU 19 HN LEU 19 3.287 -14.468 -9.148 135 HA LEU 19 HA LEU 19 4.573 -12.189 -10.487 136 1HB LEU 19 HB2 LEU 19 5.316 -13.842 -8.059 137 2HB LEU 19 HB1 LEU 19 6.296 -12.504 -8.660 138 HG LEU 19 HG LEU 19 3.367 -12.075 -8.149 139 1HD1 LEU 19 HD13 LEU 19 5.584 -12.204 -6.097 140 2HD1 LEU 19 HD12 LEU 19 4.114 -11.268 -5.832 141 3HD1 LEU 19 HD11 LEU 19 4.019 -13.014 -6.058 142 1HD2 LEU 19 HD21 LEU 19 5.170 -10.461 -9.242 143 2HD2 LEU 19 HD23 LEU 19 3.957 -9.827 -8.129 144 3HD2 LEU 19 HD22 LEU 19 5.593 -10.156 -7.557 145 HA PRO 20 HA PRO 20 7.428 -14.606 -12.899 146 1HB PRO 20 HB2 PRO 20 9.500 -12.731 -13.011 147 2HB PRO 20 HB1 PRO 20 8.103 -12.797 -14.094 148 1HG PRO 20 HG2 PRO 20 8.723 -10.824 -12.104 149 2HG PRO 20 HG1 PRO 20 7.368 -10.856 -13.241 150 1HD PRO 20 HD2 PRO 20 7.383 -11.486 -10.398 151 2HD PRO 20 HD1 PRO 20 6.004 -11.260 -11.485 152 H TRP 21 HN TRP 21 8.472 -13.221 -9.853 153 HA TRP 21 HA TRP 21 10.737 -15.166 -9.749 154 1HB TRP 21 HB2 TRP 21 11.559 -13.743 -7.854 155 2HB TRP 21 HB1 TRP 21 11.455 -12.871 -9.383 156 HD1 TRP 21 HD1 TRP 21 9.644 -13.260 -6.028 157 HE1 TRP 21 HE1 TRP 21 8.148 -11.194 -5.655 158 HE3 TRP 21 HE3 TRP 21 10.219 -10.931 -10.537 159 HZ2 TRP 21 HZ2 TRP 21 7.306 -8.861 -7.082 160 HZ3 TRP 21 HZ3 TRP 21 9.059 -8.791 -11.002 161 HH2 TRP 21 HH2 TRP 21 7.605 -7.754 -9.282 162 H HIS 22 HN HIS 22 11.103 -16.091 -7.492 163 HA HIS 22 HA HIS 22 8.467 -16.682 -6.202 164 1HB HIS 22 HB2 HIS 22 9.646 -18.583 -7.466 165 2HB HIS 22 HB1 HIS 22 10.861 -18.527 -6.188 166 HD1 HIS 22 HD1 HIS 22 7.033 -18.522 -6.238 167 HD2 HIS 22 HD2 HIS 22 10.201 -20.345 -4.232 168 HE1 HIS 22 HE1 HIS 22 5.999 -20.091 -4.540 169 H LEU 23 HN LEU 23 8.590 -15.198 -4.511 170 HA LEU 23 HA LEU 23 10.935 -15.492 -2.675 171 1HB LEU 23 HB2 LEU 23 10.618 -13.232 -3.830 172 2HB LEU 23 HB1 LEU 23 9.148 -13.058 -2.872 173 HG LEU 23 HG LEU 23 10.509 -13.415 -0.803 174 1HD1 LEU 23 HD11 LEU 23 12.703 -13.519 -2.869 175 2HD1 LEU 23 HD13 LEU 23 13.042 -13.000 -1.218 176 3HD1 LEU 23 HD12 LEU 23 12.407 -14.617 -1.521 177 1HD2 LEU 23 HD23 LEU 23 10.117 -11.128 -2.197 178 2HD2 LEU 23 HD22 LEU 23 10.990 -11.174 -0.665 179 3HD2 LEU 23 HD21 LEU 23 11.880 -11.166 -2.188 180 HA PRO 24 HA PRO 24 7.217 -17.475 -0.618 181 1HB PRO 24 HB2 PRO 24 9.258 -18.480 1.207 182 2HB PRO 24 HB1 PRO 24 8.152 -19.382 0.162 183 1HG PRO 24 HG2 PRO 24 10.941 -18.872 -0.227 184 2HG PRO 24 HG1 PRO 24 9.842 -19.808 -1.248 185 1HD PRO 24 HD2 PRO 24 11.010 -17.344 -1.902 186 2HD PRO 24 HD1 PRO 24 9.670 -18.127 -2.753 187 H ASP 25 HN ASP 25 10.008 -15.758 0.760 188 HA ASP 25 HA ASP 25 8.867 -15.202 3.321 189 1HB ASP 25 HB2 ASP 25 11.307 -14.848 2.412 190 2HB ASP 25 HB1 ASP 25 10.702 -13.255 1.954 191 H ASP 26 HN ASP 26 8.813 -13.372 0.263 192 HA ASP 26 HA ASP 26 7.368 -11.113 1.277 193 1HB ASP 26 HB2 ASP 26 8.587 -11.177 -0.915 194 2HB ASP 26 HB1 ASP 26 7.316 -12.225 -1.545 195 H LEU 27 HN LEU 27 6.343 -14.244 -0.004 196 HA LEU 27 HA LEU 27 3.533 -13.596 -0.172 197 1HB LEU 27 HB2 LEU 27 4.909 -16.283 0.144 198 2HB LEU 27 HB1 LEU 27 3.217 -16.051 -0.299 199 HG LEU 27 HG LEU 27 5.556 -14.937 -1.873 200 1HD1 LEU 27 HD13 LEU 27 4.085 -17.535 -1.985 201 2HD1 LEU 27 HD12 LEU 27 4.510 -16.770 -3.516 202 3HD1 LEU 27 HD11 LEU 27 5.773 -17.184 -2.357 203 1HD2 LEU 27 HD23 LEU 27 2.559 -14.975 -2.218 204 2HD2 LEU 27 HD22 LEU 27 3.667 -13.609 -2.352 205 3HD2 LEU 27 HD21 LEU 27 3.623 -14.836 -3.617 206 H HIS 28 HN HIS 28 5.659 -14.547 2.420 207 HA HIS 28 HA HIS 28 3.466 -15.303 4.224 208 1HB HIS 28 HB2 HIS 28 6.453 -14.985 4.561 209 2HB HIS 28 HB1 HIS 28 5.389 -15.297 5.931 210 HD1 HIS 28 HD1 HIS 28 3.422 -17.283 4.651 211 HD2 HIS 28 HD2 HIS 28 7.556 -17.510 4.157 212 HE1 HIS 28 HE1 HIS 28 3.939 -19.685 4.033 213 H TYR 29 HN TYR 29 5.390 -12.473 3.480 214 HA TYR 29 HA TYR 29 4.672 -10.985 5.870 215 1HB TYR 29 HB2 TYR 29 6.677 -10.528 4.370 216 2HB TYR 29 HB1 TYR 29 5.546 -9.844 3.203 217 HD1 TYR 29 HD1 TYR 29 6.029 -9.671 6.928 218 HD2 TYR 29 HD2 TYR 29 5.415 -7.526 3.258 219 HE1 TYR 29 HE1 TYR 29 6.030 -7.529 8.178 220 HE2 TYR 29 HE2 TYR 29 5.417 -5.384 4.508 221 HH TYR 29 HH TYR 29 5.811 -4.413 6.485 222 H PHE 30 HN PHE 30 3.194 -11.567 2.765 223 HA PHE 30 HA PHE 30 1.418 -9.317 2.702 224 1HB PHE 30 HB2 PHE 30 1.910 -10.906 0.786 225 2HB PHE 30 HB1 PHE 30 0.859 -12.077 1.585 226 HD1 PHE 30 HD2 PHE 30 0.900 -8.520 0.403 227 HD2 PHE 30 HD1 PHE 30 -1.445 -12.035 1.175 228 HE1 PHE 30 HE2 PHE 30 -1.089 -7.409 -0.579 229 HE2 PHE 30 HE1 PHE 30 -3.433 -10.925 0.193 230 HZ PHE 30 HZ PHE 30 -3.255 -8.611 -0.684 231 H ARG 31 HN ARG 31 1.019 -12.631 3.967 232 HA ARG 31 HA ARG 31 -1.677 -12.262 4.883 233 1HB ARG 31 HB2 ARG 31 -0.330 -14.460 4.591 234 2HB ARG 31 HB1 ARG 31 0.307 -14.116 6.199 235 1HG ARG 31 HG2 ARG 31 -1.811 -14.283 7.211 236 2HG ARG 31 HG1 ARG 31 -2.661 -14.058 5.682 237 1HD ARG 31 HD2 ARG 31 -2.833 -16.390 6.223 238 2HD ARG 31 HD1 ARG 31 -1.651 -16.260 4.921 239 HE ARG 31 HE ARG 31 0.035 -16.945 6.437 240 1HH1 ARG 31 HH21 ARG 31 -2.902 -16.112 8.095 241 2HH1 ARG 31 HH22 ARG 31 -2.355 -16.724 9.621 242 1HH2 ARG 31 HH11 ARG 31 0.734 -17.736 8.421 243 2HH2 ARG 31 HH12 ARG 31 -0.306 -17.639 9.803 244 H ALA 32 HN ALA 32 1.460 -11.509 6.271 245 HA ALA 32 HA ALA 32 0.437 -11.010 8.954 246 1HB ALA 32 HB1 ALA 32 2.855 -11.592 8.309 247 2HB ALA 32 HB3 ALA 32 3.002 -9.912 7.791 248 3HB ALA 32 HB2 ALA 32 2.644 -10.288 9.477 249 H GLN 33 HN GLN 33 0.906 -9.135 6.023 250 HA GLN 33 HA GLN 33 0.187 -6.632 7.463 251 1HB GLN 33 HB2 GLN 33 1.347 -7.226 4.743 252 2HB GLN 33 HB1 GLN 33 0.644 -5.649 5.104 253 1HG GLN 33 HG2 GLN 33 2.769 -6.938 6.832 254 2HG GLN 33 HG1 GLN 33 3.145 -5.828 5.513 255 1HE2 GLN 33 HE22 GLN 33 1.856 -4.352 9.047 256 2HE2 GLN 33 HE21 GLN 33 2.161 -6.006 8.822 257 H THR 34 HN THR 34 -1.760 -8.790 6.995 258 HA THR 34 HA THR 34 -3.754 -7.189 5.471 259 HB THR 34 HB THR 34 -4.621 -9.402 4.533 260 HG1 THR 34 HG1 THR 34 -2.643 -10.865 4.373 261 1HG2 THR 34 HG23 THR 34 -1.964 -8.210 3.741 262 2HG2 THR 34 HG22 THR 34 -2.727 -9.489 2.796 263 3HG2 THR 34 HG21 THR 34 -3.545 -7.941 3.008 264 H VAL 35 HN VAL 35 -3.020 -9.643 7.880 265 HA VAL 35 HA VAL 35 -5.732 -10.146 8.708 266 HB VAL 35 HB VAL 35 -4.653 -11.022 10.797 267 1HG1 VAL 35 HG12 VAL 35 -3.664 -11.809 8.060 268 2HG1 VAL 35 HG11 VAL 35 -3.129 -12.681 9.497 269 3HG1 VAL 35 HG13 VAL 35 -4.843 -12.629 9.084 270 1HG2 VAL 35 HG23 VAL 35 -2.188 -9.895 9.438 271 2HG2 VAL 35 HG22 VAL 35 -2.808 -9.486 11.037 272 3HG2 VAL 35 HG21 VAL 35 -2.118 -11.081 10.741 273 H GLY 36 HN GLY 36 -7.054 -8.891 9.936 274 1HA GLY 36 HA2 GLY 36 -7.741 -7.233 11.462 275 2HA GLY 36 HA1 GLY 36 -6.060 -7.082 11.978 276 H LYS 37 HN LYS 37 -7.184 -6.734 8.648 277 HA LYS 37 HA LYS 37 -7.047 -3.799 8.766 278 1HB LYS 37 HB2 LYS 37 -4.959 -5.487 7.383 279 2HB LYS 37 HB1 LYS 37 -5.307 -3.839 6.857 280 1HG LYS 37 HG2 LYS 37 -4.962 -3.145 9.297 281 2HG LYS 37 HG1 LYS 37 -4.281 -4.753 9.550 282 1HD LYS 37 HD2 LYS 37 -2.647 -4.318 7.723 283 2HD LYS 37 HD1 LYS 37 -3.290 -2.683 7.569 284 1HE LYS 37 HE2 LYS 37 -2.438 -2.007 9.631 285 2HE LYS 37 HE1 LYS 37 -2.381 -3.653 10.260 286 1HZ LYS 37 HZ1 LYS 37 -0.709 -3.837 8.194 287 2HZ LYS 37 HZ3 LYS 37 -0.449 -2.222 8.642 288 3HZ LYS 37 HZ2 LYS 37 -0.213 -3.464 9.776 289 H ILE 38 HN ILE 38 -7.422 -2.906 6.463 290 HA ILE 38 HA ILE 38 -9.475 -4.621 5.158 291 HB ILE 38 HB ILE 38 -8.908 -1.670 4.745 292 1HG1 ILE 38 HG12 ILE 38 -11.101 -2.939 6.409 293 2HG1 ILE 38 HG11 ILE 38 -9.597 -2.330 7.100 294 1HG2 ILE 38 HG23 ILE 38 -10.118 -2.812 2.905 295 2HG2 ILE 38 HG22 ILE 38 -11.312 -3.394 4.066 296 3HG2 ILE 38 HG21 ILE 38 -11.157 -1.665 3.751 297 1HD1 ILE 38 HD11 ILE 38 -11.254 -0.571 5.308 298 2HD1 ILE 38 HD13 ILE 38 -11.669 -0.743 7.013 299 3HD1 ILE 38 HD12 ILE 38 -10.091 -0.105 6.551 300 H MET 39 HN MET 39 -8.659 -5.811 3.503 301 HA MET 39 HA MET 39 -6.329 -4.855 1.973 302 1HB MET 39 HB2 MET 39 -6.695 -7.280 2.698 303 2HB MET 39 HB1 MET 39 -7.953 -7.356 1.464 304 1HG MET 39 HG2 MET 39 -6.241 -6.580 -0.217 305 2HG MET 39 HG1 MET 39 -5.015 -6.749 1.038 306 1HE MET 39 HE2 MET 39 -7.978 -8.142 -0.495 307 2HE MET 39 HE1 MET 39 -7.528 -9.707 -1.170 308 3HE MET 39 HE3 MET 39 -8.135 -9.597 0.488 309 H VAL 40 HN VAL 40 -6.834 -3.303 0.483 310 HA VAL 40 HA VAL 40 -9.378 -3.492 -1.027 311 HB VAL 40 HB VAL 40 -7.222 -1.363 -1.160 312 1HG1 VAL 40 HG13 VAL 40 -10.097 -1.503 -2.105 313 2HG1 VAL 40 HG12 VAL 40 -9.166 -0.007 -2.034 314 3HG1 VAL 40 HG11 VAL 40 -8.655 -1.314 -3.103 315 1HG2 VAL 40 HG23 VAL 40 -9.720 -1.601 0.541 316 2HG2 VAL 40 HG22 VAL 40 -8.058 -1.411 1.100 317 3HG2 VAL 40 HG21 VAL 40 -8.871 -0.077 0.281 318 H VAL 41 HN VAL 41 -9.382 -4.582 -2.921 319 HA VAL 41 HA VAL 41 -6.961 -4.443 -4.655 320 HB VAL 41 HB VAL 41 -7.282 -6.871 -5.196 321 1HG1 VAL 41 HG13 VAL 41 -6.706 -6.080 -2.329 322 2HG1 VAL 41 HG12 VAL 41 -6.395 -7.694 -2.967 323 3HG1 VAL 41 HG11 VAL 41 -5.540 -6.303 -3.634 324 1HG2 VAL 41 HG22 VAL 41 -9.687 -6.899 -4.404 325 2HG2 VAL 41 HG21 VAL 41 -8.706 -8.235 -3.799 326 3HG2 VAL 41 HG23 VAL 41 -9.074 -6.866 -2.751 327 H GLY 42 HN GLY 42 -7.473 -4.972 -6.936 328 1HA GLY 42 HA2 GLY 42 -10.124 -3.920 -7.670 329 2HA GLY 42 HA1 GLY 42 -8.794 -4.246 -8.782 330 H ARG 43 HN ARG 43 -10.752 -5.220 -9.982 331 HA ARG 43 HA ARG 43 -11.794 -7.757 -9.003 332 1HB ARG 43 HB2 ARG 43 -12.740 -7.936 -11.321 333 2HB ARG 43 HB1 ARG 43 -13.156 -6.424 -10.515 334 1HG ARG 43 HG2 ARG 43 -11.277 -5.300 -11.680 335 2HG ARG 43 HG1 ARG 43 -10.912 -6.808 -12.518 336 1HD ARG 43 HD2 ARG 43 -13.698 -5.700 -12.654 337 2HD ARG 43 HD1 ARG 43 -12.443 -5.000 -13.678 338 HE ARG 43 HE ARG 43 -13.644 -7.640 -14.000 339 1HH1 ARG 43 HH11 ARG 43 -10.835 -5.669 -14.540 340 2HH1 ARG 43 HH12 ARG 43 -10.281 -6.616 -15.879 341 1HH2 ARG 43 HH21 ARG 43 -12.916 -8.861 -15.740 342 2HH2 ARG 43 HH22 ARG 43 -11.454 -8.414 -16.555 343 H ARG 44 HN ARG 44 -9.189 -6.735 -11.151 344 HA ARG 44 HA ARG 44 -8.605 -9.340 -12.233 345 1HB ARG 44 HB2 ARG 44 -7.011 -6.789 -11.951 346 2HB ARG 44 HB1 ARG 44 -6.298 -8.252 -12.635 347 1HG ARG 44 HG2 ARG 44 -8.341 -8.310 -14.199 348 2HG ARG 44 HG1 ARG 44 -8.634 -6.650 -13.681 349 1HD ARG 44 HD2 ARG 44 -6.619 -5.870 -14.614 350 2HD ARG 44 HD1 ARG 44 -5.918 -7.487 -14.678 351 HE ARG 44 HE ARG 44 -8.285 -7.247 -16.349 352 1HH1 ARG 44 HH21 ARG 44 -4.867 -6.662 -16.139 353 2HH1 ARG 44 HH22 ARG 44 -4.631 -6.720 -17.854 354 1HH2 ARG 44 HH11 ARG 44 -7.966 -7.320 -18.574 355 2HH2 ARG 44 HH12 ARG 44 -6.377 -7.091 -19.224 356 H THR 45 HN THR 45 -7.202 -7.492 -9.515 357 HA THR 45 HA THR 45 -5.383 -9.597 -8.730 358 HB THR 45 HB THR 45 -6.491 -7.406 -6.956 359 HG1 THR 45 HG1 THR 45 -4.697 -6.208 -7.754 360 1HG2 THR 45 HG22 THR 45 -5.013 -9.371 -6.103 361 2HG2 THR 45 HG21 THR 45 -3.708 -8.553 -6.962 362 3HG2 THR 45 HG23 THR 45 -4.560 -7.727 -5.658 363 H TYR 46 HN TYR 46 -8.743 -8.908 -8.090 364 HA TYR 46 HA TYR 46 -9.070 -10.463 -5.707 365 1HB TYR 46 HB2 TYR 46 -10.745 -8.833 -6.724 366 2HB TYR 46 HB1 TYR 46 -11.144 -10.100 -7.883 367 HD1 TYR 46 HD1 TYR 46 -10.669 -9.687 -4.180 368 HD2 TYR 46 HD2 TYR 46 -12.895 -11.539 -7.353 369 HE1 TYR 46 HE1 TYR 46 -12.169 -10.744 -2.511 370 HE2 TYR 46 HE2 TYR 46 -14.393 -12.597 -5.683 371 HH TYR 46 HH TYR 46 -14.304 -13.253 -3.291 372 H GLU 47 HN GLU 47 -9.357 -11.309 -9.158 373 HA GLU 47 HA GLU 47 -9.930 -14.118 -8.530 374 1HB GLU 47 HB2 GLU 47 -9.384 -12.663 -11.133 375 2HB GLU 47 HB1 GLU 47 -9.750 -14.385 -11.033 376 1HG GLU 47 HG2 GLU 47 -11.870 -13.759 -9.791 377 2HG GLU 47 HG1 GLU 47 -11.528 -12.079 -10.206 378 H SER 48 HN SER 48 -7.142 -12.143 -9.155 379 HA SER 48 HA SER 48 -5.334 -14.149 -10.092 380 1HB SER 48 HB2 SER 48 -4.959 -11.623 -10.036 381 2HB SER 48 HB1 SER 48 -4.587 -11.809 -8.325 382 HG SER 48 HG SER 48 -2.864 -13.087 -8.849 383 H PHE 49 HN PHE 49 -6.646 -13.477 -6.941 384 HA PHE 49 HA PHE 49 -4.632 -14.723 -5.332 385 1HB PHE 49 HB2 PHE 49 -7.612 -14.369 -4.914 386 2HB PHE 49 HB1 PHE 49 -6.531 -15.023 -3.682 387 HD1 PHE 49 HD2 PHE 49 -4.193 -13.522 -3.596 388 HD2 PHE 49 HD1 PHE 49 -8.126 -12.124 -4.609 389 HE1 PHE 49 HE2 PHE 49 -3.542 -11.220 -2.943 390 HE2 PHE 49 HE1 PHE 49 -7.476 -9.822 -3.955 391 HZ PHE 49 HZ PHE 49 -5.184 -9.370 -3.122 392 HA PRO 50 HA PRO 50 -5.378 -19.050 -6.072 393 1HB PRO 50 HB2 PRO 50 -4.640 -20.017 -3.558 394 2HB PRO 50 HB1 PRO 50 -3.533 -19.651 -4.888 395 1HG PRO 50 HG2 PRO 50 -3.812 -18.285 -2.380 396 2HG PRO 50 HG1 PRO 50 -2.671 -17.957 -3.692 397 1HD PRO 50 HD2 PRO 50 -5.121 -16.531 -2.993 398 2HD PRO 50 HD1 PRO 50 -3.815 -16.043 -4.085 399 H LYS 51 HN LYS 51 -6.167 -18.737 -2.603 400 HA LYS 51 HA LYS 51 -8.788 -20.042 -3.180 401 1HB LYS 51 HB2 LYS 51 -7.031 -21.000 -1.495 402 2HB LYS 51 HB1 LYS 51 -7.614 -19.725 -0.427 403 1HG LYS 51 HG2 LYS 51 -8.950 -21.648 0.061 404 2HG LYS 51 HG1 LYS 51 -9.971 -20.581 -0.905 405 1HD LYS 51 HD2 LYS 51 -9.557 -21.871 -2.901 406 2HD LYS 51 HD1 LYS 51 -8.325 -22.834 -2.083 407 1HE LYS 51 HE2 LYS 51 -11.167 -22.744 -1.073 408 2HE LYS 51 HE1 LYS 51 -10.677 -23.878 -2.331 409 1HZ LYS 51 HZ1 LYS 51 -8.856 -23.814 -0.122 410 2HZ LYS 51 HZ3 LYS 51 -10.423 -24.261 0.350 411 3HZ LYS 51 HZ2 LYS 51 -9.617 -25.141 -0.860 412 H ARG 52 HN ARG 52 -9.908 -18.112 -3.768 413 HA ARG 52 HA ARG 52 -10.063 -15.960 -1.727 414 1HB ARG 52 HB2 ARG 52 -11.375 -14.762 -3.498 415 2HB ARG 52 HB1 ARG 52 -9.749 -15.206 -4.018 416 1HG ARG 52 HG2 ARG 52 -10.785 -17.328 -4.990 417 2HG ARG 52 HG1 ARG 52 -12.355 -16.573 -4.717 418 1HD ARG 52 HD2 ARG 52 -10.319 -14.912 -6.108 419 2HD ARG 52 HD1 ARG 52 -10.977 -16.271 -7.018 420 HE ARG 52 HE ARG 52 -12.465 -13.883 -6.158 421 1HH1 ARG 52 HH21 ARG 52 -12.553 -17.148 -7.340 422 2HH1 ARG 52 HH22 ARG 52 -14.159 -17.003 -7.971 423 1HH2 ARG 52 HH11 ARG 52 -14.549 -13.706 -6.981 424 2HH2 ARG 52 HH12 ARG 52 -15.283 -15.063 -7.769 425 HA PRO 53 HA PRO 53 -11.590 -14.209 -1.587 426 1HB PRO 53 HB2 PRO 53 -13.151 -13.456 0.611 427 2HB PRO 53 HB1 PRO 53 -13.542 -13.157 -1.089 428 1HG PRO 53 HG2 PRO 53 -14.869 -14.906 0.748 429 2HG PRO 53 HG1 PRO 53 -15.266 -14.589 -0.948 430 1HD PRO 53 HD2 PRO 53 -13.900 -16.898 0.225 431 2HD PRO 53 HD1 PRO 53 -14.613 -16.716 -1.387 432 H LEU 54 HN LEU 54 -9.956 -13.431 -0.237 433 HA LEU 54 HA LEU 54 -8.709 -15.208 1.608 434 1HB LEU 54 HB2 LEU 54 -8.409 -12.200 1.375 435 2HB LEU 54 HB1 LEU 54 -7.282 -13.284 2.191 436 HG LEU 54 HG LEU 54 -8.023 -13.489 -0.741 437 1HD1 LEU 54 HD13 LEU 54 -6.567 -11.466 0.283 438 2HD1 LEU 54 HD12 LEU 54 -5.298 -12.682 0.148 439 3HD1 LEU 54 HD11 LEU 54 -6.206 -12.193 -1.282 440 1HD2 LEU 54 HD21 LEU 54 -5.916 -14.840 0.976 441 2HD2 LEU 54 HD23 LEU 54 -7.313 -15.614 0.228 442 3HD2 LEU 54 HD22 LEU 54 -6.011 -14.982 -0.780 443 HA PRO 55 HA PRO 55 -11.576 -14.214 5.013 444 1HB PRO 55 HB2 PRO 55 -10.731 -16.430 6.522 445 2HB PRO 55 HB1 PRO 55 -12.127 -16.372 5.438 446 1HG PRO 55 HG2 PRO 55 -9.704 -17.843 5.106 447 2HG PRO 55 HG1 PRO 55 -11.099 -17.774 4.020 448 1HD PRO 55 HD2 PRO 55 -8.507 -16.441 3.777 449 2HD PRO 55 HD1 PRO 55 -9.773 -16.662 2.558 450 H GLU 56 HN GLU 56 -11.066 -14.382 7.580 451 HA GLU 56 HA GLU 56 -9.825 -13.481 9.352 452 1HB GLU 56 HB2 GLU 56 -7.816 -14.839 7.634 453 2HB GLU 56 HB1 GLU 56 -7.179 -13.654 8.774 454 1HG GLU 56 HG2 GLU 56 -8.711 -14.852 10.511 455 2HG GLU 56 HG1 GLU 56 -8.724 -16.174 9.344 456 H ARG 57 HN ARG 57 -10.634 -11.813 7.028 457 HA ARG 57 HA ARG 57 -9.363 -9.368 7.782 458 1HB ARG 57 HB2 ARG 57 -8.119 -8.915 5.665 459 2HB ARG 57 HB1 ARG 57 -7.416 -10.241 6.591 460 1HG ARG 57 HG2 ARG 57 -9.006 -11.736 5.124 461 2HG ARG 57 HG1 ARG 57 -8.994 -10.346 4.038 462 1HD ARG 57 HD2 ARG 57 -7.173 -11.597 3.259 463 2HD ARG 57 HD1 ARG 57 -6.399 -10.446 4.349 464 HE ARG 57 HE ARG 57 -6.870 -12.530 6.032 465 1HH1 ARG 57 HH11 ARG 57 -5.561 -12.380 2.817 466 2HH1 ARG 57 HH12 ARG 57 -4.557 -13.776 3.033 467 1HH2 ARG 57 HH21 ARG 57 -5.563 -14.338 6.300 468 2HH2 ARG 57 HH22 ARG 57 -4.558 -14.878 4.996 469 H THR 58 HN THR 58 -9.877 -7.631 5.944 470 HA THR 58 HA THR 58 -12.690 -8.159 5.121 471 HB THR 58 HB THR 58 -11.279 -5.488 5.055 472 HG1 THR 58 HG1 THR 58 -12.695 -5.539 7.186 473 1HG2 THR 58 HG23 THR 58 -13.550 -5.934 3.946 474 2HG2 THR 58 HG22 THR 58 -14.182 -6.126 5.581 475 3HG2 THR 58 HG21 THR 58 -13.475 -4.589 5.084 476 H ASN 59 HN ASN 59 -13.002 -8.703 3.027 477 HA ASN 59 HA ASN 59 -10.898 -8.093 1.033 478 1HB ASN 59 HB2 ASN 59 -13.446 -9.711 0.728 479 2HB ASN 59 HB1 ASN 59 -12.107 -9.643 -0.418 480 1HD2 ASN 59 HD22 ASN 59 -9.923 -11.329 2.115 481 2HD2 ASN 59 HD21 ASN 59 -9.892 -9.827 1.326 482 H VAL 60 HN VAL 60 -11.115 -6.010 0.301 483 HA VAL 60 HA VAL 60 -13.848 -5.049 -0.418 484 HB VAL 60 HB VAL 60 -11.288 -3.446 -0.142 485 1HG1 VAL 60 HG11 VAL 60 -14.212 -2.670 -0.364 486 2HG1 VAL 60 HG13 VAL 60 -12.901 -1.541 -0.016 487 3HG1 VAL 60 HG12 VAL 60 -12.956 -2.378 -1.568 488 1HG2 VAL 60 HG23 VAL 60 -13.541 -3.997 1.810 489 2HG2 VAL 60 HG22 VAL 60 -11.826 -4.344 2.030 490 3HG2 VAL 60 HG21 VAL 60 -12.393 -2.674 2.009 491 H VAL 61 HN VAL 61 -14.349 -5.141 -2.543 492 HA VAL 61 HA VAL 61 -12.117 -5.225 -4.526 493 HB VAL 61 HB VAL 61 -15.017 -6.027 -4.906 494 1HG1 VAL 61 HG11 VAL 61 -13.660 -5.373 -6.938 495 2HG1 VAL 61 HG13 VAL 61 -12.562 -6.698 -6.550 496 3HG1 VAL 61 HG12 VAL 61 -14.245 -7.037 -6.957 497 1HG2 VAL 61 HG23 VAL 61 -13.808 -7.427 -3.217 498 2HG2 VAL 61 HG22 VAL 61 -14.244 -8.330 -4.668 499 3HG2 VAL 61 HG21 VAL 61 -12.584 -7.781 -4.436 500 H LEU 62 HN LEU 62 -11.848 -3.482 -5.828 501 HA LEU 62 HA LEU 62 -13.975 -1.394 -5.832 502 1HB LEU 62 HB2 LEU 62 -11.614 -0.799 -5.145 503 2HB LEU 62 HB1 LEU 62 -11.114 -1.151 -6.799 504 HG LEU 62 HG LEU 62 -12.950 0.500 -7.524 505 1HD1 LEU 62 HD11 LEU 62 -12.879 0.886 -4.547 506 2HD1 LEU 62 HD13 LEU 62 -13.194 2.273 -5.589 507 3HD1 LEU 62 HD12 LEU 62 -14.266 0.874 -5.636 508 1HD2 LEU 62 HD22 LEU 62 -10.506 1.411 -5.975 509 2HD2 LEU 62 HD21 LEU 62 -10.600 1.080 -7.704 510 3HD2 LEU 62 HD23 LEU 62 -11.454 2.465 -7.025 511 H THR 63 HN THR 63 -15.252 -1.306 -7.604 512 HA THR 63 HA THR 63 -14.069 -1.884 -10.268 513 HB THR 63 HB THR 63 -15.069 -4.005 -9.618 514 HG1 THR 63 HG1 THR 63 -17.085 -3.648 -11.146 515 1HG2 THR 63 HG22 THR 63 -17.433 -2.267 -8.906 516 2HG2 THR 63 HG21 THR 63 -17.588 -4.006 -9.158 517 3HG2 THR 63 HG23 THR 63 -16.556 -3.391 -7.867 518 H HIS 64 HN HIS 64 -15.324 -0.939 -12.017 519 HA HIS 64 HA HIS 64 -16.749 1.495 -11.170 520 1HB HIS 64 HB2 HIS 64 -15.028 1.325 -13.090 521 2HB HIS 64 HB1 HIS 64 -16.332 0.583 -14.017 522 HD1 HIS 64 HD1 HIS 64 -16.999 2.448 -15.578 523 HD2 HIS 64 HD2 HIS 64 -16.742 3.728 -11.619 524 HE1 HIS 64 HE1 HIS 64 -17.890 4.818 -15.532 525 H GLN 65 HN GLN 65 -17.468 -1.085 -13.554 526 HA GLN 65 HA GLN 65 -20.319 -0.476 -13.479 527 1HB GLN 65 HB2 GLN 65 -18.811 -2.808 -14.703 528 2HB GLN 65 HB1 GLN 65 -20.517 -2.450 -14.974 529 1HG GLN 65 HG2 GLN 65 -20.012 -0.389 -16.073 530 2HG GLN 65 HG1 GLN 65 -18.330 -0.440 -15.542 531 1HE2 GLN 65 HE22 GLN 65 -17.328 -2.774 -18.059 532 2HE2 GLN 65 HE21 GLN 65 -16.924 -2.132 -16.541 533 H GLU 66 HN GLU 66 -21.948 -1.725 -12.501 534 HA GLU 66 HA GLU 66 -21.077 -3.311 -10.181 535 1HB GLU 66 HB2 GLU 66 -23.537 -3.401 -9.690 536 2HB GLU 66 HB1 GLU 66 -22.919 -1.757 -9.855 537 1HG GLU 66 HG2 GLU 66 -23.732 -1.641 -12.155 538 2HG GLU 66 HG1 GLU 66 -24.263 -3.321 -12.079 539 H ASP 67 HN ASP 67 -20.621 -4.367 -12.909 540 HA ASP 67 HA ASP 67 -22.551 -6.580 -13.178 541 1HB ASP 67 HB2 ASP 67 -20.143 -5.663 -14.748 542 2HB ASP 67 HB1 ASP 67 -20.885 -7.234 -15.053 543 H TYR 68 HN TYR 68 -19.284 -6.015 -12.005 544 HA TYR 68 HA TYR 68 -18.520 -8.793 -11.805 545 1HB TYR 68 HB2 TYR 68 -17.002 -6.705 -11.728 546 2HB TYR 68 HB1 TYR 68 -17.473 -6.584 -10.032 547 HD1 TYR 68 HD1 TYR 68 -15.683 -8.609 -12.539 548 HD2 TYR 68 HD2 TYR 68 -16.778 -8.255 -8.400 549 HE1 TYR 68 HE1 TYR 68 -14.021 -10.353 -11.949 550 HE2 TYR 68 HE2 TYR 68 -15.116 -9.999 -7.811 551 HH TYR 68 HH TYR 68 -13.983 -12.109 -9.521 552 H GLN 69 HN GLN 69 -19.256 -10.262 -10.360 553 HA GLN 69 HA GLN 69 -20.736 -9.271 -7.967 554 1HB GLN 69 HB2 GLN 69 -20.756 -11.972 -9.351 555 2HB GLN 69 HB1 GLN 69 -21.679 -11.584 -7.899 556 1HG GLN 69 HG2 GLN 69 -23.297 -11.062 -9.437 557 2HG GLN 69 HG1 GLN 69 -22.440 -9.520 -9.462 558 1HE2 GLN 69 HE22 GLN 69 -22.791 -10.940 -12.972 559 2HE2 GLN 69 HE21 GLN 69 -23.923 -10.698 -11.730 560 H ALA 70 HN ALA 70 -19.897 -9.635 -5.961 561 HA ALA 70 HA ALA 70 -17.783 -11.709 -5.643 562 1HB ALA 70 HB1 ALA 70 -16.764 -9.406 -5.994 563 2HB ALA 70 HB3 ALA 70 -17.535 -8.923 -4.482 564 3HB ALA 70 HB2 ALA 70 -16.317 -10.198 -4.483 565 H GLN 71 HN GLN 71 -18.651 -13.049 -4.138 566 HA GLN 71 HA GLN 71 -20.460 -11.974 -2.062 567 1HB GLN 71 HB2 GLN 71 -19.613 -14.788 -2.800 568 2HB GLN 71 HB1 GLN 71 -20.693 -14.417 -1.455 569 1HG GLN 71 HG2 GLN 71 -22.321 -13.433 -2.938 570 2HG GLN 71 HG1 GLN 71 -21.209 -13.528 -4.305 571 1HE2 GLN 71 HE22 GLN 71 -21.502 -17.211 -4.373 572 2HE2 GLN 71 HE21 GLN 71 -20.253 -16.064 -4.318 573 H GLY 72 HN GLY 72 -19.965 -11.972 0.141 574 1HA GLY 72 HA2 GLY 72 -18.642 -12.109 2.082 575 2HA GLY 72 HA1 GLY 72 -17.600 -13.248 1.227 576 H ALA 73 HN ALA 73 -18.382 -9.998 0.090 577 HA ALA 73 HA ALA 73 -15.826 -8.884 0.993 578 1HB ALA 73 HB2 ALA 73 -16.320 -9.629 -1.893 579 2HB ALA 73 HB1 ALA 73 -15.190 -8.349 -1.448 580 3HB ALA 73 HB3 ALA 73 -14.915 -10.001 -0.893 581 H VAL 74 HN VAL 74 -15.890 -6.633 0.967 582 HA VAL 74 HA VAL 74 -18.496 -5.403 0.520 583 HB VAL 74 HB VAL 74 -15.843 -4.066 1.134 584 1HG1 VAL 74 HG13 VAL 74 -18.734 -3.217 1.475 585 2HG1 VAL 74 HG12 VAL 74 -17.357 -2.334 2.132 586 3HG1 VAL 74 HG11 VAL 74 -17.547 -2.499 0.387 587 1HG2 VAL 74 HG23 VAL 74 -17.957 -5.270 2.943 588 2HG2 VAL 74 HG22 VAL 74 -16.253 -5.715 2.848 589 3HG2 VAL 74 HG21 VAL 74 -16.720 -4.148 3.511 590 H VAL 75 HN VAL 75 -18.967 -5.427 -1.687 591 HA VAL 75 HA VAL 75 -17.029 -4.665 -3.711 592 HB VAL 75 HB VAL 75 -20.052 -4.760 -3.936 593 1HG1 VAL 75 HG11 VAL 75 -18.721 -3.619 -5.762 594 2HG1 VAL 75 HG13 VAL 75 -17.918 -5.163 -6.047 595 3HG1 VAL 75 HG12 VAL 75 -19.656 -5.013 -6.299 596 1HG2 VAL 75 HG21 VAL 75 -17.965 -6.928 -4.339 597 2HG2 VAL 75 HG23 VAL 75 -19.206 -6.896 -3.086 598 3HG2 VAL 75 HG22 VAL 75 -19.667 -7.077 -4.779 599 H VAL 76 HN VAL 76 -16.255 -2.584 -3.289 600 HA VAL 76 HA VAL 76 -18.190 -0.383 -2.883 601 HB VAL 76 HB VAL 76 -16.116 1.008 -2.645 602 1HG1 VAL 76 HG12 VAL 76 -16.235 -1.523 -0.977 603 2HG1 VAL 76 HG11 VAL 76 -15.384 -0.048 -0.521 604 3HG1 VAL 76 HG13 VAL 76 -17.141 -0.041 -0.675 605 1HG2 VAL 76 HG23 VAL 76 -14.753 -0.497 -4.170 606 2HG2 VAL 76 HG22 VAL 76 -13.949 -0.044 -2.668 607 3HG2 VAL 76 HG21 VAL 76 -14.666 -1.647 -2.835 608 H HIS 77 HN HIS 77 -18.050 1.556 -4.278 609 HA HIS 77 HA HIS 77 -16.982 1.020 -7.009 610 1HB HIS 77 HB2 HIS 77 -19.775 2.030 -6.382 611 2HB HIS 77 HB1 HIS 77 -19.075 1.900 -7.996 612 HD1 HIS 77 HD1 HIS 77 -18.940 -0.428 -9.056 613 HD2 HIS 77 HD2 HIS 77 -20.340 -0.510 -5.130 614 HE1 HIS 77 HE1 HIS 77 -19.796 -2.776 -8.649 615 H ASP 78 HN ASP 78 -16.122 2.742 -4.744 616 HA ASP 78 HA ASP 78 -15.582 5.147 -6.244 617 1HB ASP 78 HB2 ASP 78 -18.017 5.430 -5.431 618 2HB ASP 78 HB1 ASP 78 -17.324 5.591 -3.817 619 H VAL 79 HN VAL 79 -13.929 6.357 -5.244 620 HA VAL 79 HA VAL 79 -12.353 4.974 -3.266 621 HB VAL 79 HB VAL 79 -12.137 7.874 -4.130 622 1HG1 VAL 79 HG13 VAL 79 -10.854 6.985 -2.078 623 2HG1 VAL 79 HG12 VAL 79 -9.940 6.007 -3.228 624 3HG1 VAL 79 HG11 VAL 79 -9.902 7.767 -3.341 625 1HG2 VAL 79 HG21 VAL 79 -11.021 5.328 -5.344 626 2HG2 VAL 79 HG23 VAL 79 -12.108 6.484 -6.112 627 3HG2 VAL 79 HG22 VAL 79 -10.444 6.943 -5.757 628 H ALA 80 HN ALA 80 -14.700 7.600 -3.127 629 HA ALA 80 HA ALA 80 -14.130 8.421 -0.425 630 1HB ALA 80 HB3 ALA 80 -15.510 9.665 -2.213 631 2HB ALA 80 HB2 ALA 80 -16.839 8.601 -1.752 632 3HB ALA 80 HB1 ALA 80 -16.130 9.694 -0.563 633 H ALA 81 HN ALA 81 -16.189 5.929 -1.840 634 HA ALA 81 HA ALA 81 -17.643 5.282 0.557 635 1HB ALA 81 HB2 ALA 81 -18.157 4.580 -1.873 636 2HB ALA 81 HB1 ALA 81 -16.962 3.307 -1.624 637 3HB ALA 81 HB3 ALA 81 -18.409 3.368 -0.616 638 H VAL 82 HN VAL 82 -14.573 4.154 -0.806 639 HA VAL 82 HA VAL 82 -14.158 2.039 1.112 640 HB VAL 82 HB VAL 82 -12.064 3.605 -0.426 641 1HG1 VAL 82 HG11 VAL 82 -11.289 2.112 1.446 642 2HG1 VAL 82 HG13 VAL 82 -12.044 0.755 0.610 643 3HG1 VAL 82 HG12 VAL 82 -10.703 1.619 -0.142 644 1HG2 VAL 82 HG23 VAL 82 -13.958 1.408 -1.211 645 2HG2 VAL 82 HG22 VAL 82 -13.439 2.816 -2.139 646 3HG2 VAL 82 HG21 VAL 82 -12.345 1.449 -1.925 647 H PHE 83 HN PHE 83 -13.265 5.470 1.004 648 HA PHE 83 HA PHE 83 -11.671 5.382 3.425 649 1HB PHE 83 HB2 PHE 83 -12.859 7.571 1.733 650 2HB PHE 83 HB1 PHE 83 -12.155 7.951 3.305 651 HD1 PHE 83 HD2 PHE 83 -9.818 6.564 3.704 652 HD2 PHE 83 HD1 PHE 83 -11.422 7.823 -0.076 653 HE1 PHE 83 HE2 PHE 83 -7.546 6.478 2.711 654 HE2 PHE 83 HE1 PHE 83 -9.151 7.737 -1.069 655 HZ PHE 83 HZ PHE 83 -7.213 7.065 0.325 656 H ALA 84 HN ALA 84 -15.068 5.897 2.686 657 HA ALA 84 HA ALA 84 -15.839 6.986 5.235 658 1HB ALA 84 HB2 ALA 84 -17.456 5.387 3.226 659 2HB ALA 84 HB1 ALA 84 -18.131 6.303 4.573 660 3HB ALA 84 HB3 ALA 84 -17.299 7.143 3.264 661 H TYR 85 HN TYR 85 -15.587 3.676 3.981 662 HA TYR 85 HA TYR 85 -16.732 2.407 6.308 663 1HB TYR 85 HB2 TYR 85 -16.398 1.398 3.966 664 2HB TYR 85 HB1 TYR 85 -14.718 1.145 4.441 665 HD1 TYR 85 HD2 TYR 85 -14.191 -0.275 6.447 666 HD2 TYR 85 HD1 TYR 85 -18.152 0.012 4.811 667 HE1 TYR 85 HE2 TYR 85 -14.847 -2.328 7.675 668 HE2 TYR 85 HE1 TYR 85 -18.808 -2.041 6.039 669 HH TYR 85 HH TYR 85 -16.434 -3.882 7.939 670 H ALA 86 HN ALA 86 -13.481 3.432 5.412 671 HA ALA 86 HA ALA 86 -12.111 2.038 7.538 672 1HB ALA 86 HB2 ALA 86 -11.373 4.460 5.874 673 2HB ALA 86 HB1 ALA 86 -10.285 3.731 7.054 674 3HB ALA 86 HB3 ALA 86 -10.818 2.800 5.655 675 H LYS 87 HN LYS 87 -13.758 5.135 7.287 676 HA LYS 87 HA LYS 87 -12.725 6.313 9.692 677 1HB LYS 87 HB2 LYS 87 -15.298 6.731 8.151 678 2HB LYS 87 HB1 LYS 87 -14.873 7.683 9.575 679 1HG LYS 87 HG2 LYS 87 -12.872 8.514 8.512 680 2HG LYS 87 HG1 LYS 87 -13.078 7.413 7.150 681 1HD LYS 87 HD2 LYS 87 -14.933 8.598 6.311 682 2HD LYS 87 HD1 LYS 87 -15.221 9.412 7.850 683 1HE LYS 87 HE2 LYS 87 -14.216 11.007 6.323 684 2HE LYS 87 HE1 LYS 87 -13.028 10.600 7.560 685 1HZ LYS 87 HZ1 LYS 87 -12.252 8.835 5.929 686 2HZ LYS 87 HZ3 LYS 87 -13.153 9.669 4.759 687 3HZ LYS 87 HZ2 LYS 87 -11.873 10.449 5.559 688 H GLN 88 HN GLN 88 -15.541 4.244 9.038 689 HA GLN 88 HA GLN 88 -16.603 4.341 11.712 690 1HB GLN 88 HB2 GLN 88 -16.921 2.382 9.430 691 2HB GLN 88 HB1 GLN 88 -17.744 2.167 10.976 692 1HG GLN 88 HG2 GLN 88 -18.710 4.467 10.716 693 2HG GLN 88 HG1 GLN 88 -17.996 4.539 9.105 694 1HE2 GLN 88 HE22 GLN 88 -21.558 2.865 9.420 695 2HE2 GLN 88 HE21 GLN 88 -20.905 4.006 10.493 696 H HIS 89 HN HIS 89 -14.160 2.357 10.133 697 HA HIS 89 HA HIS 89 -13.698 0.975 12.749 698 1HB HIS 89 HB2 HIS 89 -13.477 -0.012 9.909 699 2HB HIS 89 HB1 HIS 89 -12.572 -0.790 11.208 700 HD1 HIS 89 HD1 HIS 89 -13.804 -2.685 12.236 701 HD2 HIS 89 HD2 HIS 89 -16.421 0.232 10.816 702 HE1 HIS 89 HE1 HIS 89 -16.144 -3.526 12.716 703 HA PRO 90 HA PRO 90 -9.881 3.430 11.962 704 1HB PRO 90 HB2 PRO 90 -9.618 4.092 14.670 705 2HB PRO 90 HB1 PRO 90 -10.343 5.110 13.419 706 1HG PRO 90 HG2 PRO 90 -11.639 3.829 15.628 707 2HG PRO 90 HG1 PRO 90 -12.356 4.866 14.386 708 1HD PRO 90 HD2 PRO 90 -12.446 1.953 14.629 709 2HD PRO 90 HD1 PRO 90 -13.421 3.022 13.607 710 H ASP 91 HN ASP 91 -10.698 0.842 14.132 711 HA ASP 91 HA ASP 91 -8.090 0.322 15.215 712 1HB ASP 91 HB2 ASP 91 -9.005 -1.977 15.634 713 2HB ASP 91 HB1 ASP 91 -10.059 -0.690 16.223 714 H GLN 92 HN GLN 92 -9.591 -0.394 12.144 715 HA GLN 92 HA GLN 92 -7.436 -2.279 11.391 716 1HB GLN 92 HB2 GLN 92 -9.978 -1.342 10.062 717 2HB GLN 92 HB1 GLN 92 -8.754 -2.243 9.167 718 1HG GLN 92 HG2 GLN 92 -8.863 -3.987 11.024 719 2HG GLN 92 HG1 GLN 92 -10.302 -3.147 11.602 720 1HE2 GLN 92 HE22 GLN 92 -12.394 -4.429 9.059 721 2HE2 GLN 92 HE21 GLN 92 -12.266 -3.416 10.415 722 H GLU 93 HN GLU 93 -6.703 -1.800 8.935 723 HA GLU 93 HA GLU 93 -6.090 1.102 8.645 724 1HB GLU 93 HB2 GLU 93 -4.116 -1.181 8.768 725 2HB GLU 93 HB1 GLU 93 -3.725 0.335 7.953 726 1HG GLU 93 HG2 GLU 93 -4.771 0.267 10.788 727 2HG GLU 93 HG1 GLU 93 -3.048 0.158 10.424 728 H LEU 94 HN LEU 94 -5.885 1.766 6.487 729 HA LEU 94 HA LEU 94 -6.963 -0.107 4.488 730 1HB LEU 94 HB2 LEU 94 -7.581 2.398 4.753 731 2HB LEU 94 HB1 LEU 94 -6.048 2.715 3.939 732 HG LEU 94 HG LEU 94 -6.866 1.036 2.154 733 1HD1 LEU 94 HD12 LEU 94 -9.440 1.647 3.634 734 2HD1 LEU 94 HD11 LEU 94 -9.385 0.977 2.003 735 3HD1 LEU 94 HD13 LEU 94 -8.722 0.060 3.357 736 1HD2 LEU 94 HD21 LEU 94 -8.087 3.765 2.615 737 2HD2 LEU 94 HD23 LEU 94 -6.727 3.346 1.573 738 3HD2 LEU 94 HD22 LEU 94 -8.363 2.855 1.130 739 H VAL 95 HN VAL 95 -5.748 -1.123 2.950 740 HA VAL 95 HA VAL 95 -2.979 -0.155 2.439 741 HB VAL 95 HB VAL 95 -3.673 -3.060 2.966 742 1HG1 VAL 95 HG12 VAL 95 -1.059 -1.591 2.506 743 2HG1 VAL 95 HG11 VAL 95 -1.178 -3.277 3.011 744 3HG1 VAL 95 HG13 VAL 95 -1.799 -2.783 1.436 745 1HG2 VAL 95 HG21 VAL 95 -3.817 -1.704 5.029 746 2HG2 VAL 95 HG23 VAL 95 -2.409 -2.764 5.069 747 3HG2 VAL 95 HG22 VAL 95 -2.212 -1.048 4.709 748 H ILE 96 HN ILE 96 -2.533 -0.153 0.282 749 HA ILE 96 HA ILE 96 -4.519 -1.399 -1.543 750 HB ILE 96 HB ILE 96 -2.237 0.481 -2.212 751 1HG1 ILE 96 HG12 ILE 96 -3.809 1.541 -0.627 752 2HG1 ILE 96 HG11 ILE 96 -3.948 2.263 -2.228 753 1HG2 ILE 96 HG21 ILE 96 -3.229 -0.935 -4.052 754 2HG2 ILE 96 HG23 ILE 96 -4.776 -0.144 -3.744 755 3HG2 ILE 96 HG22 ILE 96 -3.396 0.802 -4.303 756 1HD1 ILE 96 HD12 ILE 96 -5.912 0.811 -2.691 757 2HD1 ILE 96 HD11 ILE 96 -5.789 0.150 -1.061 758 3HD1 ILE 96 HD13 ILE 96 -6.181 1.853 -1.295 759 H ALA 97 HN ALA 97 -4.027 -3.273 -2.564 760 HA ALA 97 HA ALA 97 -1.169 -4.150 -2.585 761 1HB ALA 97 HB3 ALA 97 -3.780 -5.600 -2.359 762 2HB ALA 97 HB2 ALA 97 -2.427 -6.427 -3.132 763 3HB ALA 97 HB1 ALA 97 -2.278 -5.855 -1.470 764 H GLY 98 HN GLY 98 -3.945 -3.429 -4.564 765 1HA GLY 98 HA2 GLY 98 -2.682 -2.930 -6.947 766 2HA GLY 98 HA1 GLY 98 -2.862 -4.684 -6.977 767 H GLY 99 HN GLY 99 -5.943 -3.545 -8.609 768 1HA GLY 99 HA2 GLY 99 -3.216 -4.534 -9.014 769 2HA GLY 99 HA1 GLY 99 -4.392 -4.180 -10.279 770 H ALA 100 HN ALA 100 -2.799 -3.005 -11.492 771 HA ALA 100 HA ALA 100 -1.308 -0.797 -10.402 772 1HB ALA 100 HB3 ALA 100 -2.093 -1.513 -13.240 773 2HB ALA 100 HB2 ALA 100 -1.029 -0.164 -12.838 774 3HB ALA 100 HB1 ALA 100 -0.545 -1.815 -12.450 775 H GLN 101 HN GLN 101 -4.394 -0.996 -12.177 776 HA GLN 101 HA GLN 101 -4.847 1.830 -12.305 777 1HB GLN 101 HB2 GLN 101 -7.228 1.151 -12.701 778 2HB GLN 101 HB1 GLN 101 -6.082 0.321 -13.750 779 1HG GLN 101 HG2 GLN 101 -6.691 -0.991 -11.151 780 2HG GLN 101 HG1 GLN 101 -7.983 -0.989 -12.353 781 1HE2 GLN 101 HE22 GLN 101 -6.364 -3.938 -13.538 782 2HE2 GLN 101 HE21 GLN 101 -7.680 -3.350 -12.641 783 H ILE 102 HN ILE 102 -5.216 -0.507 -9.760 784 HA ILE 102 HA ILE 102 -7.094 1.072 -8.182 785 HB ILE 102 HB ILE 102 -5.254 -1.156 -7.266 786 1HG1 ILE 102 HG12 ILE 102 -6.645 -1.883 -9.175 787 2HG1 ILE 102 HG11 ILE 102 -7.176 -2.655 -7.683 788 1HG2 ILE 102 HG21 ILE 102 -7.794 0.056 -6.144 789 2HG2 ILE 102 HG23 ILE 102 -7.092 -1.453 -5.561 790 3HG2 ILE 102 HG22 ILE 102 -6.193 0.056 -5.404 791 1HD1 ILE 102 HD13 ILE 102 -8.938 -0.876 -7.460 792 2HD1 ILE 102 HD12 ILE 102 -8.460 -0.268 -9.045 793 3HD1 ILE 102 HD11 ILE 102 -9.140 -1.887 -8.891 794 H PHE 103 HN PHE 103 -3.583 0.682 -8.342 795 HA PHE 103 HA PHE 103 -2.944 2.116 -5.946 796 1HB PHE 103 HB2 PHE 103 -1.426 1.600 -8.509 797 2HB PHE 103 HB1 PHE 103 -0.728 2.532 -7.184 798 HD1 PHE 103 HD2 PHE 103 -1.464 1.274 -4.762 799 HD2 PHE 103 HD1 PHE 103 -0.622 -0.583 -8.542 800 HE1 PHE 103 HE2 PHE 103 -0.867 -0.831 -3.595 801 HE2 PHE 103 HE1 PHE 103 -0.026 -2.688 -7.375 802 HZ PHE 103 HZ PHE 103 -0.148 -2.812 -4.902 803 H THR 104 HN THR 104 -3.102 3.205 -9.350 804 HA THR 104 HA THR 104 -2.579 5.964 -8.786 805 HB THR 104 HB THR 104 -4.301 5.004 -11.073 806 HG1 THR 104 HG1 THR 104 -2.294 4.604 -12.135 807 1HG2 THR 104 HG23 THR 104 -3.799 7.467 -10.631 808 2HG2 THR 104 HG22 THR 104 -2.117 7.091 -11.004 809 3HG2 THR 104 HG21 THR 104 -3.363 6.868 -12.231 810 H ALA 105 HN ALA 105 -5.460 4.006 -8.558 811 HA ALA 105 HA ALA 105 -7.390 6.142 -8.567 812 1HB ALA 105 HB3 ALA 105 -7.423 3.332 -7.449 813 2HB ALA 105 HB2 ALA 105 -8.808 4.416 -7.311 814 3HB ALA 105 HB1 ALA 105 -8.222 3.931 -8.903 815 H PHE 106 HN PHE 106 -5.488 4.587 -6.008 816 HA PHE 106 HA PHE 106 -6.653 6.486 -4.027 817 1HB PHE 106 HB2 PHE 106 -5.145 3.884 -3.774 818 2HB PHE 106 HB1 PHE 106 -5.319 4.978 -2.401 819 HD1 PHE 106 HD2 PHE 106 -7.121 2.818 -4.795 820 HD2 PHE 106 HD1 PHE 106 -7.468 5.344 -1.339 821 HE1 PHE 106 HE2 PHE 106 -9.410 1.951 -4.392 822 HE2 PHE 106 HE1 PHE 106 -9.757 4.478 -0.935 823 HZ PHE 106 HZ PHE 106 -10.727 2.782 -2.462 824 H LYS 107 HN LYS 107 -4.308 6.723 -6.172 825 HA LYS 107 HA LYS 107 -1.964 7.323 -4.584 826 1HB LYS 107 HB2 LYS 107 -1.975 6.766 -7.056 827 2HB LYS 107 HB1 LYS 107 -2.622 8.382 -7.344 828 1HG LYS 107 HG2 LYS 107 -0.668 9.428 -6.446 829 2HG LYS 107 HG1 LYS 107 -0.075 7.903 -5.785 830 1HD LYS 107 HD2 LYS 107 0.424 7.036 -7.943 831 2HD LYS 107 HD1 LYS 107 -0.516 8.294 -8.748 832 1HE LYS 107 HE2 LYS 107 1.962 8.844 -7.095 833 2HE LYS 107 HE1 LYS 107 1.972 8.665 -8.849 834 1HZ LYS 107 HZ2 LYS 107 0.116 10.562 -7.573 835 2HZ LYS 107 HZ1 LYS 107 1.739 11.003 -7.818 836 3HZ LYS 107 HZ3 LYS 107 0.765 10.585 -9.143 837 H ASP 108 HN ASP 108 -4.829 9.088 -5.474 838 HA ASP 108 HA ASP 108 -3.825 11.753 -5.125 839 1HB ASP 108 HB2 ASP 108 -6.117 10.881 -6.089 840 2HB ASP 108 HB1 ASP 108 -6.648 11.018 -4.412 841 H ASP 109 HN ASP 109 -5.306 9.428 -2.876 842 HA ASP 109 HA ASP 109 -4.592 11.268 -0.630 843 1HB ASP 109 HB2 ASP 109 -6.695 9.115 -0.904 844 2HB ASP 109 HB1 ASP 109 -6.212 9.751 0.669 845 H VAL 110 HN VAL 110 -2.636 9.586 -1.911 846 HA VAL 110 HA VAL 110 -2.265 7.208 -0.250 847 HB VAL 110 HB VAL 110 -1.484 7.258 -2.592 848 1HG1 VAL 110 HG13 VAL 110 -0.864 9.750 -2.435 849 2HG1 VAL 110 HG12 VAL 110 0.651 9.206 -1.716 850 3HG1 VAL 110 HG11 VAL 110 0.227 8.715 -3.356 851 1HG2 VAL 110 HG23 VAL 110 -0.249 6.041 -0.590 852 2HG2 VAL 110 HG22 VAL 110 0.469 6.058 -2.200 853 3HG2 VAL 110 HG21 VAL 110 1.039 7.186 -0.969 854 H ASP 111 HN ASP 111 -0.554 6.940 1.302 855 HA ASP 111 HA ASP 111 0.639 9.488 2.314 856 1HB ASP 111 HB2 ASP 111 -0.653 7.266 3.924 857 2HB ASP 111 HB1 ASP 111 0.315 8.560 4.631 858 H THR 112 HN THR 112 0.816 6.017 3.177 859 HA THR 112 HA THR 112 3.758 6.229 3.315 860 HB THR 112 HB THR 112 2.158 3.704 3.724 861 HG1 THR 112 HG1 THR 112 1.618 5.874 4.951 862 1HG2 THR 112 HG21 THR 112 4.712 4.808 4.929 863 2HG2 THR 112 HG23 THR 112 3.981 3.255 5.341 864 3HG2 THR 112 HG22 THR 112 4.605 3.533 3.715 865 H LEU 113 HN LEU 113 5.084 4.533 2.202 866 HA LEU 113 HA LEU 113 3.841 3.434 -0.264 867 1HB LEU 113 HB2 LEU 113 6.130 5.389 -0.130 868 2HB LEU 113 HB1 LEU 113 5.998 4.250 -1.469 869 HG LEU 113 HG LEU 113 3.657 5.965 -0.653 870 1HD1 LEU 113 HD12 LEU 113 5.609 7.443 -1.110 871 2HD1 LEU 113 HD11 LEU 113 5.799 6.668 -2.683 872 3HD1 LEU 113 HD13 LEU 113 4.348 7.606 -2.332 873 1HD2 LEU 113 HD23 LEU 113 4.514 4.504 -3.168 874 2HD2 LEU 113 HD22 LEU 113 3.127 4.139 -2.141 875 3HD2 LEU 113 HD21 LEU 113 3.142 5.611 -3.111 876 H LEU 114 HN LEU 114 4.137 1.356 0.694 877 HA LEU 114 HA LEU 114 6.871 0.533 1.456 878 1HB LEU 114 HB2 LEU 114 4.228 -0.958 1.425 879 2HB LEU 114 HB1 LEU 114 5.754 -1.651 1.979 880 HG LEU 114 HG LEU 114 4.700 0.935 3.122 881 1HD1 LEU 114 HD11 LEU 114 4.113 -1.896 4.038 882 2HD1 LEU 114 HD13 LEU 114 3.784 -0.450 4.991 883 3HD1 LEU 114 HD12 LEU 114 2.936 -0.715 3.468 884 1HD2 LEU 114 HD23 LEU 114 6.706 -1.175 3.937 885 2HD2 LEU 114 HD22 LEU 114 6.982 0.547 3.679 886 3HD2 LEU 114 HD21 LEU 114 6.075 0.002 5.089 887 H VAL 115 HN VAL 115 8.232 -0.128 -0.125 888 HA VAL 115 HA VAL 115 7.076 -1.636 -2.434 889 HB VAL 115 HB VAL 115 7.722 0.647 -3.125 890 1HG1 VAL 115 HG11 VAL 115 9.478 0.921 -1.338 891 2HG1 VAL 115 HG13 VAL 115 10.533 -0.120 -2.294 892 3HG1 VAL 115 HG12 VAL 115 10.000 1.430 -2.944 893 1HG2 VAL 115 HG23 VAL 115 8.009 -1.211 -4.725 894 2HG2 VAL 115 HG22 VAL 115 9.260 0.011 -4.954 895 3HG2 VAL 115 HG21 VAL 115 9.638 -1.491 -4.112 896 H THR 116 HN THR 116 8.144 -3.518 -2.959 897 HA THR 116 HA THR 116 10.521 -4.212 -1.285 898 HB THR 116 HB THR 116 8.660 -6.094 -2.763 899 HG1 THR 116 HG1 THR 116 7.367 -5.832 -1.154 900 1HG2 THR 116 HG23 THR 116 10.755 -6.513 -0.614 901 2HG2 THR 116 HG22 THR 116 9.677 -7.767 -1.228 902 3HG2 THR 116 HG21 THR 116 10.869 -7.027 -2.297 903 H ARG 117 HN ARG 117 12.275 -3.618 -2.525 904 HA ARG 117 HA ARG 117 12.286 -4.130 -5.428 905 1HB ARG 117 HB2 ARG 117 14.428 -2.999 -3.599 906 2HB ARG 117 HB1 ARG 117 14.508 -3.046 -5.361 907 1HG ARG 117 HG2 ARG 117 12.088 -1.806 -4.135 908 2HG ARG 117 HG1 ARG 117 13.597 -0.896 -4.051 909 1HD ARG 117 HD2 ARG 117 12.566 -2.103 -6.626 910 2HD ARG 117 HD1 ARG 117 12.161 -0.464 -6.116 911 HE ARG 117 HE ARG 117 14.769 -1.369 -7.102 912 1HH1 ARG 117 HH11 ARG 117 12.999 1.004 -5.283 913 2HH1 ARG 117 HH12 ARG 117 14.203 2.231 -5.486 914 1HH2 ARG 117 HH21 ARG 117 16.326 0.231 -7.356 915 2HH2 ARG 117 HH22 ARG 117 16.078 1.794 -6.653 916 H LEU 118 HN LEU 118 13.269 -5.863 -6.377 917 HA LEU 118 HA LEU 118 14.724 -7.758 -4.583 918 1HB LEU 118 HB2 LEU 118 12.860 -8.087 -6.867 919 2HB LEU 118 HB1 LEU 118 14.229 -9.199 -6.842 920 HG LEU 118 HG LEU 118 13.662 -9.738 -4.453 921 1HD1 LEU 118 HD11 LEU 118 11.213 -8.078 -5.126 922 2HD1 LEU 118 HD13 LEU 118 11.360 -9.112 -3.704 923 3HD1 LEU 118 HD12 LEU 118 12.420 -7.715 -3.892 924 1HD2 LEU 118 HD22 LEU 118 12.794 -10.946 -6.615 925 2HD2 LEU 118 HD21 LEU 118 12.067 -11.347 -5.058 926 3HD2 LEU 118 HD23 LEU 118 11.238 -10.249 -6.163 927 H ALA 119 HN ALA 119 16.836 -8.261 -5.044 928 HA ALA 119 HA ALA 119 18.312 -6.619 -6.899 929 1HB ALA 119 HB2 ALA 119 19.287 -7.586 -4.814 930 2HB ALA 119 HB1 ALA 119 19.181 -9.189 -5.540 931 3HB ALA 119 HB3 ALA 119 20.242 -7.970 -6.246 932 H GLY 120 HN GLY 120 17.049 -9.922 -7.010 933 1HA GLY 120 HA2 GLY 120 18.378 -10.681 -9.454 934 2HA GLY 120 HA1 GLY 120 16.957 -11.475 -8.772 935 H SER 121 HN SER 121 17.867 -10.144 -11.525 936 HA SER 121 HA SER 121 15.696 -8.259 -12.031 937 1HB SER 121 HB2 SER 121 16.494 -8.465 -14.418 938 2HB SER 121 HB1 SER 121 17.745 -7.979 -13.278 939 HG SER 121 HG SER 121 18.531 -10.058 -13.285 940 H PHE 122 HN PHE 122 13.776 -8.677 -13.146 941 HA PHE 122 HA PHE 122 13.273 -11.410 -14.165 942 1HB PHE 122 HB2 PHE 122 11.614 -10.104 -11.986 943 2HB PHE 122 HB1 PHE 122 11.156 -11.570 -12.853 944 HD1 PHE 122 HD1 PHE 122 12.691 -13.595 -12.739 945 HD2 PHE 122 HD2 PHE 122 13.141 -10.182 -10.169 946 HE1 PHE 122 HE1 PHE 122 14.069 -14.948 -11.183 947 HE2 PHE 122 HE2 PHE 122 14.519 -11.535 -8.614 948 HZ PHE 122 HZ PHE 122 14.984 -13.918 -9.120 949 H GLU 123 HN GLU 123 12.546 -10.975 -16.187 950 HA GLU 123 HA GLU 123 11.109 -8.471 -16.762 951 1HB GLU 123 HB2 GLU 123 12.017 -10.788 -18.491 952 2HB GLU 123 HB1 GLU 123 11.107 -9.415 -19.122 953 1HG GLU 123 HG2 GLU 123 12.852 -7.872 -18.381 954 2HG GLU 123 HG1 GLU 123 13.747 -9.202 -17.647 955 H GLY 124 HN GLY 124 8.951 -8.395 -17.563 956 1HA GLY 124 HA2 GLY 124 7.360 -10.885 -17.564 957 2HA GLY 124 HA1 GLY 124 6.908 -9.671 -16.366 958 H ASP 125 HN ASP 125 5.131 -8.615 -17.090 959 HA ASP 125 HA ASP 125 5.204 -7.472 -19.837 960 1HB ASP 125 HB2 ASP 125 3.083 -9.269 -18.676 961 2HB ASP 125 HB1 ASP 125 2.661 -8.063 -19.893 962 H THR 126 HN THR 126 3.887 -7.466 -16.570 963 HA THR 126 HA THR 126 2.612 -4.827 -17.018 964 HB THR 126 HB THR 126 2.724 -6.271 -14.376 965 HG1 THR 126 HG1 THR 126 0.645 -6.713 -16.192 966 1HG2 THR 126 HG22 THR 126 0.866 -4.329 -15.751 967 2HG2 THR 126 HG21 THR 126 0.368 -5.243 -14.327 968 3HG2 THR 126 HG23 THR 126 1.727 -4.124 -14.225 969 H LYS 127 HN LYS 127 3.286 -2.949 -15.901 970 HA LYS 127 HA LYS 127 5.912 -3.156 -14.484 971 1HB LYS 127 HB2 LYS 127 5.036 -1.060 -16.493 972 2HB LYS 127 HB1 LYS 127 6.499 -0.950 -15.514 973 1HG LYS 127 HG2 LYS 127 7.356 -3.016 -16.504 974 2HG LYS 127 HG1 LYS 127 5.869 -3.214 -17.431 975 1HD LYS 127 HD2 LYS 127 6.332 -1.346 -18.800 976 2HD LYS 127 HD1 LYS 127 7.536 -0.712 -17.677 977 1HE LYS 127 HE2 LYS 127 9.088 -2.461 -18.221 978 2HE LYS 127 HE1 LYS 127 7.862 -3.352 -19.123 979 1HZ LYS 127 HZ1 LYS 127 8.696 -0.612 -19.870 980 2HZ LYS 127 HZ3 LYS 127 9.483 -1.991 -20.468 981 3HZ LYS 127 HZ2 LYS 127 7.838 -1.741 -20.805 982 H MET 128 HN MET 128 6.303 -0.995 -13.232 983 HA MET 128 HA MET 128 3.806 -0.414 -11.728 984 1HB MET 128 HB2 MET 128 5.927 -1.163 -10.546 985 2HB MET 128 HB1 MET 128 6.638 0.383 -11.009 986 1HG MET 128 HG2 MET 128 5.743 0.654 -8.789 987 2HG MET 128 HG1 MET 128 4.669 1.516 -9.893 988 1HE MET 128 HE2 MET 128 2.590 1.647 -8.688 989 2HE MET 128 HE1 MET 128 1.880 0.396 -7.672 990 3HE MET 128 HE3 MET 128 3.446 1.102 -7.248 991 H ILE 129 HN ILE 129 3.174 1.773 -11.311 992 HA ILE 129 HA ILE 129 3.651 3.597 -13.514 993 HB ILE 129 HB ILE 129 2.253 5.171 -12.149 994 1HG1 ILE 129 HG12 ILE 129 2.066 2.868 -10.190 995 2HG1 ILE 129 HG11 ILE 129 3.141 4.246 -9.945 996 1HG2 ILE 129 HG22 ILE 129 1.414 3.152 -13.617 997 2HG2 ILE 129 HG21 ILE 129 0.934 2.473 -12.061 998 3HG2 ILE 129 HG23 ILE 129 0.272 4.020 -12.590 999 1HD1 ILE 129 HD11 ILE 129 1.119 5.747 -10.207 1000 2HD1 ILE 129 HD13 ILE 129 0.121 4.294 -10.172 1001 3HD1 ILE 129 HD12 ILE 129 1.096 4.728 -8.768 1002 HA PRO 130 HA PRO 130 6.992 6.009 -11.838 1003 1HB PRO 130 HB2 PRO 130 6.245 8.524 -12.821 1004 2HB PRO 130 HB1 PRO 130 7.157 7.292 -13.706 1005 1HG PRO 130 HG2 PRO 130 4.492 8.214 -14.197 1006 2HG PRO 130 HG1 PRO 130 5.416 7.002 -15.095 1007 1HD PRO 130 HD2 PRO 130 3.274 6.610 -13.144 1008 2HD PRO 130 HD1 PRO 130 3.976 5.451 -14.284 1009 H LEU 131 HN LEU 131 6.688 6.068 -9.585 1010 HA LEU 131 HA LEU 131 4.739 7.954 -8.424 1011 1HB LEU 131 HB2 LEU 131 6.708 6.010 -7.184 1012 2HB LEU 131 HB1 LEU 131 5.637 7.050 -6.245 1013 HG LEU 131 HG LEU 131 4.600 5.183 -8.384 1014 1HD1 LEU 131 HD11 LEU 131 5.897 4.045 -6.459 1015 2HD1 LEU 131 HD13 LEU 131 4.580 4.596 -5.423 1016 3HD1 LEU 131 HD12 LEU 131 4.248 3.496 -6.761 1017 1HD2 LEU 131 HD23 LEU 131 3.354 6.613 -6.016 1018 2HD2 LEU 131 HD22 LEU 131 3.084 6.973 -7.721 1019 3HD2 LEU 131 HD21 LEU 131 2.503 5.455 -7.038 1020 H ASN 132 HN ASN 132 5.285 9.903 -7.490 1021 HA ASN 132 HA ASN 132 7.943 10.985 -8.074 1022 1HB ASN 132 HB2 ASN 132 5.647 12.222 -8.136 1023 2HB ASN 132 HB1 ASN 132 5.862 12.370 -6.391 1024 1HD2 ASN 132 HD22 ASN 132 7.637 15.093 -8.582 1025 2HD2 ASN 132 HD21 ASN 132 6.204 14.263 -8.958 1026 H TRP 133 HN TRP 133 9.251 9.612 -6.699 1027 HA TRP 133 HA TRP 133 8.827 9.436 -3.848 1028 1HB TRP 133 HB2 TRP 133 11.354 9.018 -5.472 1029 2HB TRP 133 HB1 TRP 133 11.123 8.521 -3.795 1030 HD1 TRP 133 HD1 TRP 133 10.109 7.657 -7.356 1031 HE1 TRP 133 HE1 TRP 133 8.951 5.353 -7.364 1032 HE3 TRP 133 HE3 TRP 133 9.706 6.854 -2.329 1033 HZ2 TRP 133 HZ2 TRP 133 7.982 3.425 -5.486 1034 HZ3 TRP 133 HZ3 TRP 133 8.663 4.778 -1.467 1035 HH2 TRP 133 HH2 TRP 133 7.801 3.064 -3.037 1036 H ASP 134 HN ASP 134 10.109 11.891 -5.885 1037 HA ASP 134 HA ASP 134 11.992 13.118 -4.119 1038 1HB ASP 134 HB2 ASP 134 11.493 13.631 -6.614 1039 2HB ASP 134 HB1 ASP 134 10.219 14.679 -5.993 1040 H ASP 135 HN ASP 135 8.510 13.068 -4.159 1041 HA ASP 135 HA ASP 135 8.271 15.348 -2.308 1042 1HB ASP 135 HB2 ASP 135 6.332 13.477 -3.652 1043 2HB ASP 135 HB1 ASP 135 5.805 14.474 -2.295 1044 H PHE 136 HN PHE 136 8.330 11.842 -2.209 1045 HA PHE 136 HA PHE 136 7.479 11.766 0.614 1046 1HB PHE 136 HB2 PHE 136 8.379 9.615 -1.324 1047 2HB PHE 136 HB1 PHE 136 7.926 9.295 0.350 1048 HD1 PHE 136 HD2 PHE 136 6.707 10.407 -2.954 1049 HD2 PHE 136 HD1 PHE 136 5.619 9.446 1.089 1050 HE1 PHE 136 HE2 PHE 136 4.314 10.371 -3.606 1051 HE2 PHE 136 HE1 PHE 136 3.227 9.411 0.437 1052 HZ PHE 136 HZ PHE 136 2.574 9.872 -1.910 1053 H THR 137 HN THR 137 8.945 10.453 2.139 1054 HA THR 137 HA THR 137 11.835 10.912 1.580 1055 HB THR 137 HB THR 137 10.635 11.606 4.262 1056 HG1 THR 137 HG1 THR 137 10.563 13.735 3.547 1057 1HG2 THR 137 HG22 THR 137 13.142 11.190 3.834 1058 2HG2 THR 137 HG21 THR 137 13.107 12.702 2.925 1059 3HG2 THR 137 HG23 THR 137 12.701 12.694 4.641 1060 H LYS 138 HN LYS 138 13.093 9.231 2.286 1061 HA LYS 138 HA LYS 138 11.836 6.819 3.251 1062 1HB LYS 138 HB2 LYS 138 14.006 7.063 1.864 1063 2HB LYS 138 HB1 LYS 138 14.796 7.388 3.407 1064 1HG LYS 138 HG2 LYS 138 13.772 5.233 4.266 1065 2HG LYS 138 HG1 LYS 138 13.285 4.890 2.606 1066 1HD LYS 138 HD2 LYS 138 16.145 5.550 3.316 1067 2HD LYS 138 HD1 LYS 138 15.530 3.899 3.384 1068 1HE LYS 138 HE2 LYS 138 15.409 5.690 0.940 1069 2HE LYS 138 HE1 LYS 138 16.593 4.408 1.193 1070 1HZ LYS 138 HZ2 LYS 138 13.647 4.045 1.092 1071 2HZ LYS 138 HZ1 LYS 138 14.737 3.643 -0.149 1072 3HZ LYS 138 HZ3 LYS 138 14.790 2.811 1.328 1073 H VAL 139 HN VAL 139 12.015 5.856 5.326 1074 HA VAL 139 HA VAL 139 13.151 7.542 7.502 1075 HB VAL 139 HB VAL 139 11.103 7.078 8.874 1076 1HG1 VAL 139 HG11 VAL 139 11.450 9.213 7.589 1077 2HG1 VAL 139 HG13 VAL 139 10.506 8.516 6.272 1078 3HG1 VAL 139 HG12 VAL 139 9.752 8.807 7.840 1079 1HG2 VAL 139 HG22 VAL 139 10.038 6.102 6.203 1080 2HG2 VAL 139 HG21 VAL 139 10.302 5.111 7.638 1081 3HG2 VAL 139 HG23 VAL 139 9.060 6.363 7.648 1082 H SER 140 HN SER 140 11.966 4.410 6.389 1083 HA SER 140 HA SER 140 13.906 3.083 8.181 1084 1HB SER 140 HB2 SER 140 12.131 1.460 8.938 1085 2HB SER 140 HB1 SER 140 11.932 3.089 9.576 1086 HG SER 140 HG SER 140 10.080 3.144 8.604 1087 H SER 141 HN SER 141 14.281 0.833 7.528 1088 HA SER 141 HA SER 141 13.032 -0.138 5.057 1089 1HB SER 141 HB2 SER 141 14.810 1.482 4.290 1090 2HB SER 141 HB1 SER 141 16.007 0.451 5.070 1091 HG SER 141 HG SER 141 14.337 -1.011 3.544 1092 H ARG 142 HN ARG 142 12.829 -2.292 5.377 1093 HA ARG 142 HA ARG 142 14.633 -3.632 7.319 1094 1HB ARG 142 HB2 ARG 142 12.058 -3.817 7.368 1095 2HB ARG 142 HB1 ARG 142 12.235 -4.869 5.963 1096 1HG ARG 142 HG2 ARG 142 12.250 -6.352 7.811 1097 2HG ARG 142 HG1 ARG 142 13.950 -6.173 7.378 1098 1HD ARG 142 HD2 ARG 142 14.367 -4.687 9.181 1099 2HD ARG 142 HD1 ARG 142 12.647 -4.402 9.448 1100 HE ARG 142 HE ARG 142 13.524 -7.185 9.833 1101 1HH1 ARG 142 HH21 ARG 142 12.863 -4.077 11.240 1102 2HH1 ARG 142 HH22 ARG 142 12.647 -4.713 12.836 1103 1HH2 ARG 142 HH11 ARG 142 13.241 -7.998 11.908 1104 2HH2 ARG 142 HH12 ARG 142 12.860 -6.923 13.211 1105 H THR 143 HN THR 143 16.506 -4.138 6.199 1106 HA THR 143 HA THR 143 16.399 -5.223 3.476 1107 HB THR 143 HB THR 143 18.817 -5.238 5.282 1108 HG1 THR 143 HG1 THR 143 18.453 -3.167 5.423 1109 1HG2 THR 143 HG21 THR 143 18.608 -6.249 2.857 1110 2HG2 THR 143 HG23 THR 143 18.750 -4.562 2.362 1111 3HG2 THR 143 HG22 THR 143 20.036 -5.315 3.303 1112 H VAL 144 HN VAL 144 16.868 -7.378 2.900 1113 HA VAL 144 HA VAL 144 17.344 -9.353 5.047 1114 HB VAL 144 HB VAL 144 14.884 -9.146 4.955 1115 1HG1 VAL 144 HG13 VAL 144 14.864 -8.383 2.536 1116 2HG1 VAL 144 HG12 VAL 144 15.094 -10.072 2.081 1117 3HG1 VAL 144 HG11 VAL 144 13.639 -9.583 2.950 1118 1HG2 VAL 144 HG21 VAL 144 16.063 -11.387 5.283 1119 2HG2 VAL 144 HG23 VAL 144 14.390 -11.479 4.734 1120 3HG2 VAL 144 HG22 VAL 144 15.709 -11.719 3.588 1121 H GLU 145 HN GLU 145 18.695 -10.927 4.302 1122 HA GLU 145 HA GLU 145 19.108 -11.100 1.345 1123 1HB GLU 145 HB2 GLU 145 20.977 -11.484 3.684 1124 2HB GLU 145 HB1 GLU 145 21.360 -12.125 2.086 1125 1HG GLU 145 HG2 GLU 145 22.363 -10.009 2.024 1126 2HG GLU 145 HG1 GLU 145 20.801 -9.706 1.262 1127 H ASP 146 HN ASP 146 18.271 -12.924 0.479 1128 HA ASP 146 HA ASP 146 17.566 -15.210 2.172 1129 1HB ASP 146 HB2 ASP 146 16.423 -14.210 -0.051 1130 2HB ASP 146 HB1 ASP 146 17.463 -15.423 -0.797 1131 H THR 147 HN THR 147 18.117 -17.440 0.798 1132 HA THR 147 HA THR 147 20.901 -17.905 1.272 1133 HB THR 147 HB THR 147 20.466 -20.061 0.010 1134 HG1 THR 147 HG1 THR 147 18.061 -20.275 -0.297 1135 1HG2 THR 147 HG21 THR 147 20.030 -19.691 2.481 1136 2HG2 THR 147 HG23 THR 147 18.340 -19.410 2.062 1137 3HG2 THR 147 HG22 THR 147 19.079 -20.978 1.739 1138 H ASN 148 HN ASN 148 19.066 -17.372 -1.738 1139 HA ASN 148 HA ASN 148 21.563 -17.393 -3.314 1140 1HB ASN 148 HB2 ASN 148 18.989 -18.129 -3.914 1141 2HB ASN 148 HB1 ASN 148 19.056 -16.512 -4.616 1142 1HD2 ASN 148 HD22 ASN 148 20.589 -17.936 -7.456 1143 2HD2 ASN 148 HD21 ASN 148 19.307 -17.013 -6.838 1144 HA PRO 149 HA PRO 149 22.039 -12.965 -3.280 1145 1HB PRO 149 HB2 PRO 149 23.313 -12.720 -5.771 1146 2HB PRO 149 HB1 PRO 149 24.101 -13.046 -4.222 1147 1HG PRO 149 HG2 PRO 149 23.829 -14.797 -6.463 1148 2HG PRO 149 HG1 PRO 149 24.612 -15.120 -4.909 1149 1HD PRO 149 HD2 PRO 149 21.994 -15.997 -5.869 1150 2HD PRO 149 HD1 PRO 149 22.933 -16.579 -4.485 1151 H ALA 150 HN ALA 150 20.393 -14.543 -5.904 1152 HA ALA 150 HA ALA 150 19.473 -12.038 -7.136 1153 1HB ALA 150 HB3 ALA 150 19.853 -14.058 -8.517 1154 2HB ALA 150 HB2 ALA 150 18.598 -14.905 -7.612 1155 3HB ALA 150 HB1 ALA 150 18.177 -13.518 -8.617 1156 H LEU 151 HN LEU 151 18.412 -14.263 -4.685 1157 HA LEU 151 HA LEU 151 15.633 -13.265 -4.743 1158 1HB LEU 151 HB2 LEU 151 17.103 -15.317 -3.084 1159 2HB LEU 151 HB1 LEU 151 15.475 -14.783 -2.663 1160 HG LEU 151 HG LEU 151 16.077 -15.672 -5.472 1161 1HD1 LEU 151 HD12 LEU 151 16.891 -17.447 -3.899 1162 2HD1 LEU 151 HD11 LEU 151 15.274 -17.509 -3.196 1163 3HD1 LEU 151 HD13 LEU 151 15.522 -17.965 -4.882 1164 1HD2 LEU 151 HD21 LEU 151 13.621 -15.745 -3.686 1165 2HD2 LEU 151 HD23 LEU 151 13.923 -14.589 -4.984 1166 3HD2 LEU 151 HD22 LEU 151 13.673 -16.293 -5.362 1167 H THR 152 HN THR 152 18.161 -11.638 -3.973 1168 HA THR 152 HA THR 152 17.617 -10.951 -1.163 1169 HB THR 152 HB THR 152 19.441 -9.508 -3.101 1170 HG1 THR 152 HG1 THR 152 20.950 -10.977 -2.670 1171 1HG2 THR 152 HG21 THR 152 19.105 -9.630 -0.115 1172 2HG2 THR 152 HG23 THR 152 20.666 -9.207 -0.818 1173 3HG2 THR 152 HG22 THR 152 19.247 -8.214 -1.157 1174 H HIS 153 HN HIS 153 16.583 -9.067 -0.479 1175 HA HIS 153 HA HIS 153 15.825 -6.985 -2.397 1176 1HB HIS 153 HB2 HIS 153 13.371 -7.258 -1.940 1177 2HB HIS 153 HB1 HIS 153 14.062 -8.589 -2.868 1178 HD1 HIS 153 HD1 HIS 153 14.842 -10.724 -1.306 1179 HD2 HIS 153 HD2 HIS 153 12.057 -8.096 0.344 1180 HE1 HIS 153 HE1 HIS 153 13.751 -11.954 0.621 1181 H THR 154 HN THR 154 14.484 -5.265 -1.231 1182 HA THR 154 HA THR 154 14.949 -5.284 1.714 1183 HB THR 154 HB THR 154 15.559 -2.897 -0.050 1184 HG1 THR 154 HG1 THR 154 17.758 -3.486 0.461 1185 1HG2 THR 154 HG22 THR 154 14.951 -2.819 2.523 1186 2HG2 THR 154 HG21 THR 154 16.618 -3.364 2.712 1187 3HG2 THR 154 HG23 THR 154 16.276 -1.843 1.887 1188 H TYR 155 HN TYR 155 13.230 -4.451 2.841 1189 HA TYR 155 HA TYR 155 10.877 -3.580 1.287 1190 1HB TYR 155 HB2 TYR 155 11.286 -4.139 4.239 1191 2HB TYR 155 HB1 TYR 155 9.747 -3.646 3.532 1192 HD1 TYR 155 HD2 TYR 155 8.742 -5.084 1.676 1193 HD2 TYR 155 HD1 TYR 155 11.996 -6.395 4.155 1194 HE1 TYR 155 HE2 TYR 155 8.281 -7.436 1.038 1195 HE2 TYR 155 HE1 TYR 155 11.534 -8.747 3.517 1196 HH TYR 155 HH TYR 155 8.689 -9.623 1.661 1197 H GLU 156 HN GLU 156 11.497 -1.479 0.601 1198 HA GLU 156 HA GLU 156 12.506 0.523 2.435 1199 1HB GLU 156 HB2 GLU 156 11.309 0.655 -0.340 1200 2HB GLU 156 HB1 GLU 156 11.819 2.100 0.533 1201 1HG GLU 156 HG2 GLU 156 14.092 1.190 0.748 1202 2HG GLU 156 HG1 GLU 156 13.592 -0.282 -0.087 1203 H VAL 157 HN VAL 157 11.357 2.198 3.456 1204 HA VAL 157 HA VAL 157 8.378 2.080 3.282 1205 HB VAL 157 HB VAL 157 9.950 2.372 5.858 1206 1HG1 VAL 157 HG11 VAL 157 7.677 3.459 5.702 1207 2HG1 VAL 157 HG13 VAL 157 6.999 1.860 5.396 1208 3HG1 VAL 157 HG12 VAL 157 7.791 2.202 6.933 1209 1HG2 VAL 157 HG23 VAL 157 8.744 0.001 4.462 1210 2HG2 VAL 157 HG22 VAL 157 10.261 0.115 5.354 1211 3HG2 VAL 157 HG21 VAL 157 8.728 0.060 6.224 1212 H TRP 158 HN TRP 158 8.017 4.033 2.290 1213 HA TRP 158 HA TRP 158 9.485 6.426 3.287 1214 1HB TRP 158 HB2 TRP 158 7.766 6.013 0.822 1215 2HB TRP 158 HB1 TRP 158 8.546 7.534 1.256 1216 HD1 TRP 158 HD1 TRP 158 9.680 3.844 0.883 1217 HE1 TRP 158 HE1 TRP 158 11.965 3.833 -0.312 1218 HE3 TRP 158 HE3 TRP 158 10.389 8.866 0.289 1219 HZ2 TRP 158 HZ2 TRP 158 13.845 5.707 -1.379 1220 HZ3 TRP 158 HZ3 TRP 158 12.433 9.725 -0.819 1221 HH2 TRP 158 HH2 TRP 158 14.161 8.153 -1.653 1222 H GLN 159 HN GLN 159 8.087 8.462 3.421 1223 HA GLN 159 HA GLN 159 5.275 7.920 4.195 1224 1HB GLN 159 HB2 GLN 159 7.432 8.983 6.015 1225 2HB GLN 159 HB1 GLN 159 5.739 9.401 6.277 1226 1HG GLN 159 HG2 GLN 159 5.227 6.914 6.220 1227 2HG GLN 159 HG1 GLN 159 6.969 6.635 6.259 1228 1HE2 GLN 159 HE22 GLN 159 5.078 8.024 9.623 1229 2HE2 GLN 159 HE21 GLN 159 4.280 8.078 8.125 1230 H LYS 160 HN LYS 160 3.937 9.674 3.786 1231 HA LYS 160 HA LYS 160 4.946 11.774 2.078 1232 1HB LYS 160 HB2 LYS 160 2.574 10.781 2.121 1233 2HB LYS 160 HB1 LYS 160 2.290 11.818 3.520 1234 1HG LYS 160 HG2 LYS 160 2.977 13.790 2.161 1235 2HG LYS 160 HG1 LYS 160 3.148 12.732 0.759 1236 1HD LYS 160 HD2 LYS 160 0.973 13.526 0.471 1237 2HD LYS 160 HD1 LYS 160 0.683 12.025 1.351 1238 1HE LYS 160 HE2 LYS 160 1.120 14.579 2.874 1239 2HE LYS 160 HE1 LYS 160 -0.464 14.236 2.177 1240 1HZ LYS 160 HZ1 LYS 160 0.230 11.893 3.352 1241 2HZ LYS 160 HZ3 LYS 160 0.833 13.044 4.442 1242 3HZ LYS 160 HZ2 LYS 160 -0.812 13.059 4.017 1243 H LYS 161 HN LYS 161 6.269 13.311 2.942 1244 HA LYS 161 HA LYS 161 5.238 14.956 5.161 1245 1HB LYS 161 HB2 LYS 161 6.681 12.992 6.075 1246 2HB LYS 161 HB1 LYS 161 8.044 13.885 5.401 1247 1HG LYS 161 HG2 LYS 161 7.232 15.910 6.681 1248 2HG LYS 161 HG1 LYS 161 6.075 14.851 7.488 1249 1HD LYS 161 HD2 LYS 161 7.918 13.447 8.317 1250 2HD LYS 161 HD1 LYS 161 9.085 14.480 7.492 1251 1HE LYS 161 HE2 LYS 161 8.613 16.328 8.906 1252 2HE LYS 161 HE1 LYS 161 7.130 15.591 9.508 1253 1HZ LYS 161 HZ3 LYS 161 8.726 13.746 10.311 1254 2HZ LYS 161 HZ2 LYS 161 9.924 14.940 10.161 1255 3HZ LYS 161 HZ1 LYS 161 8.606 15.182 11.205 1256 H ALA 162 HN ALA 162 6.259 17.037 5.230 1257 HA ALA 162 HA ALA 162 7.457 17.832 2.665 1258 1HB ALA 162 HB1 ALA 162 6.741 19.444 5.133 1259 2HB ALA 162 HB3 ALA 162 7.300 20.129 3.607 1260 3HB ALA 162 HB2 ALA 162 5.757 19.277 3.679 1261 1H9 TMQ 170 H91 TMQ 170 0.181 -10.264 -6.446 1262 2H9 TMQ 170 H92 TMQ 170 -0.764 -11.062 -5.180 1263 HN1 TMQ 170 H1N TMQ 170 1.352 -12.247 -6.777 1264 1H17 TMQ 170 HM1 TMQ 170 -0.399 -7.366 -4.753 1265 2H17 TMQ 170 HM2 TMQ 170 -1.072 -8.958 -5.102 1266 3H17 TMQ 170 HM3 TMQ 170 -1.269 -8.256 -3.496 1267 1H21 TMQ 170 HW11 TMQ 170 0.215 -13.054 -1.560 1268 2H21 TMQ 170 HW12 TMQ 170 -0.852 -13.608 -0.261 1269 3H21 TMQ 170 HW13 TMQ 170 -1.502 -12.621 -1.579 1270 1H22 TMQ 170 HI1 TMQ 170 1.309 -17.490 -3.193 1271 2H22 TMQ 170 HI2 TMQ 170 0.177 -18.303 -2.102 1272 3H22 TMQ 170 HI3 TMQ 170 0.584 -16.599 -1.846 1273 1H23 TMQ 170 HW21 TMQ 170 1.007 -16.493 -7.875 1274 2H23 TMQ 170 HW22 TMQ 170 1.600 -18.085 -7.374 1275 3H23 TMQ 170 HW23 TMQ 170 2.296 -16.619 -6.668 1276 1HN2 TMQ 170 HN21 TMQ 170 4.070 -6.095 0.473 1277 2HN2 TMQ 170 HN22 TMQ 170 5.089 -7.471 0.204 1278 1HN5 TMQ 170 HN41 TMQ 170 0.203 -5.480 -1.762 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.427 -6.541 -2.945 1280 HN TMQ 170 H1 TMQ 170 4.481 -9.051 -1.329 1281 H7 TMQ 170 H7 TMQ 170 2.584 -11.810 -4.588 1282 H8 TMQ 170 H8 TMQ 170 4.057 -10.839 -2.884 1283 H12 TMQ 170 HP2 TMQ 170 -0.304 -12.395 -3.546 1284 H16 TMQ 170 HP6 TMQ 170 0.999 -14.622 -7.014 No H/Q in entry = 1284 Start of MODEL 4 1 1H THR 1 HT2 THR 1 -2.860 5.685 4.610 2 2H THR 1 HT1 THR 1 -3.936 6.574 3.641 3 3H THR 1 HT3 THR 1 -4.524 5.346 4.652 4 HA THR 1 HA THR 1 -4.235 3.820 3.093 5 HB THR 1 HB THR 1 -3.039 5.963 1.326 6 HG1 THR 1 HG1 THR 1 -5.181 6.294 2.648 7 1HG2 THR 1 HG21 THR 1 -4.595 3.417 0.938 8 2HG2 THR 1 HG23 THR 1 -4.600 4.668 -0.304 9 3HG2 THR 1 HG22 THR 1 -3.082 3.913 0.181 10 H ALA 2 HN ALA 2 -2.716 2.244 3.058 11 HA ALA 2 HA ALA 2 0.160 3.064 3.107 12 1HB ALA 2 HB3 ALA 2 -1.158 0.524 4.121 13 2HB ALA 2 HB2 ALA 2 0.572 0.866 4.183 14 3HB ALA 2 HB1 ALA 2 -0.555 1.847 5.121 15 H PHE 3 HN PHE 3 0.788 2.985 0.974 16 HA PHE 3 HA PHE 3 -0.224 1.023 -0.905 17 1HB PHE 3 HB2 PHE 3 1.950 3.099 -0.952 18 2HB PHE 3 HB1 PHE 3 1.860 1.896 -2.237 19 HD1 PHE 3 HD2 PHE 3 -0.690 3.856 -0.288 20 HD2 PHE 3 HD1 PHE 3 0.836 2.735 -4.144 21 HE1 PHE 3 HE2 PHE 3 -2.502 5.148 -1.381 22 HE2 PHE 3 HE1 PHE 3 -0.976 4.028 -5.236 23 HZ PHE 3 HZ PHE 3 -2.644 5.235 -3.856 24 H LEU 4 HN LEU 4 0.726 -0.903 -1.557 25 HA LEU 4 HA LEU 4 3.416 -1.636 -0.611 26 1HB LEU 4 HB2 LEU 4 1.892 -2.199 1.298 27 2HB LEU 4 HB1 LEU 4 0.999 -3.271 0.220 28 HG LEU 4 HG LEU 4 3.352 -4.321 -0.259 29 1HD1 LEU 4 HD11 LEU 4 3.771 -2.707 2.250 30 2HD1 LEU 4 HD13 LEU 4 4.666 -4.204 1.989 31 3HD1 LEU 4 HD12 LEU 4 4.831 -2.868 0.849 32 1HD2 LEU 4 HD21 LEU 4 1.930 -4.698 2.398 33 2HD2 LEU 4 HD23 LEU 4 1.494 -5.480 0.878 34 3HD2 LEU 4 HD22 LEU 4 3.031 -5.859 1.656 35 H TRP 5 HN TRP 5 4.246 -2.367 -2.514 36 HA TRP 5 HA TRP 5 2.752 -4.488 -3.954 37 1HB TRP 5 HB2 TRP 5 3.148 -3.413 -6.130 38 2HB TRP 5 HB1 TRP 5 2.187 -2.364 -5.093 39 HD1 TRP 5 HD1 TRP 5 5.218 -2.383 -7.171 40 HE1 TRP 5 HE1 TRP 5 6.626 -0.262 -6.771 41 HE3 TRP 5 HE3 TRP 5 2.966 -0.606 -2.940 42 HZ2 TRP 5 HZ2 TRP 5 6.780 1.899 -4.908 43 HZ3 TRP 5 HZ3 TRP 5 3.769 1.482 -1.877 44 HH2 TRP 5 HH2 TRP 5 5.668 2.737 -2.855 45 H ALA 6 HN ALA 6 4.101 -6.024 -4.896 46 HA ALA 6 HA ALA 6 6.960 -5.845 -4.155 47 1HB ALA 6 HB3 ALA 6 5.495 -7.918 -3.771 48 2HB ALA 6 HB2 ALA 6 5.577 -8.165 -5.516 49 3HB ALA 6 HB1 ALA 6 7.052 -8.195 -4.551 50 H GLN 7 HN GLN 7 8.214 -4.796 -5.630 51 HA GLN 7 HA GLN 7 7.848 -5.510 -8.510 52 1HB GLN 7 HB2 GLN 7 8.519 -3.151 -9.053 53 2HB GLN 7 HB1 GLN 7 6.969 -3.263 -8.219 54 1HG GLN 7 HG2 GLN 7 7.877 -2.519 -6.173 55 2HG GLN 7 HG1 GLN 7 9.530 -2.867 -6.680 56 1HE2 GLN 7 HE22 GLN 7 9.972 0.437 -7.781 57 2HE2 GLN 7 HE21 GLN 7 10.637 -0.948 -7.059 58 H ASP 8 HN ASP 8 9.804 -5.560 -9.737 59 HA ASP 8 HA ASP 8 12.236 -5.911 -8.060 60 1HB ASP 8 HB2 ASP 8 13.159 -6.981 -10.162 61 2HB ASP 8 HB1 ASP 8 11.768 -7.813 -9.466 62 H ARG 9 HN ARG 9 14.331 -5.184 -9.197 63 HA ARG 9 HA ARG 9 14.267 -2.362 -9.598 64 1HB ARG 9 HB2 ARG 9 16.620 -2.660 -10.410 65 2HB ARG 9 HB1 ARG 9 16.307 -3.468 -8.874 66 1HG ARG 9 HG2 ARG 9 15.977 -5.605 -10.042 67 2HG ARG 9 HG1 ARG 9 16.238 -4.808 -11.594 68 1HD ARG 9 HD2 ARG 9 18.300 -4.708 -9.389 69 2HD ARG 9 HD1 ARG 9 18.259 -6.022 -10.566 70 HE ARG 9 HE ARG 9 18.227 -3.411 -11.843 71 1HH1 ARG 9 HH21 ARG 9 20.231 -5.839 -10.374 72 2HH1 ARG 9 HH22 ARG 9 21.648 -5.369 -11.250 73 1HH2 ARG 9 HH11 ARG 9 20.074 -2.810 -12.974 74 2HH2 ARG 9 HH12 ARG 9 21.559 -3.662 -12.714 75 H ASP 10 HN ASP 10 13.587 -4.950 -11.762 76 HA ASP 10 HA ASP 10 14.248 -3.520 -14.217 77 1HB ASP 10 HB2 ASP 10 12.719 -6.045 -13.588 78 2HB ASP 10 HB1 ASP 10 12.761 -5.384 -15.222 79 H GLY 11 HN GLY 11 12.195 -2.529 -12.049 80 1HA GLY 11 HA2 GLY 11 10.255 -1.212 -12.098 81 2HA GLY 11 HA1 GLY 11 10.520 -1.058 -13.836 82 H LEU 12 HN LEU 12 10.071 -4.132 -12.165 83 HA LEU 12 HA LEU 12 7.546 -4.502 -13.723 84 1HB LEU 12 HB2 LEU 12 9.692 -6.056 -13.924 85 2HB LEU 12 HB1 LEU 12 9.013 -6.794 -12.473 86 HG LEU 12 HG LEU 12 6.786 -6.858 -13.789 87 1HD1 LEU 12 HD11 LEU 12 7.713 -5.336 -15.599 88 2HD1 LEU 12 HD13 LEU 12 8.704 -6.697 -16.126 89 3HD1 LEU 12 HD12 LEU 12 6.945 -6.811 -16.187 90 1HD2 LEU 12 HD21 LEU 12 8.535 -8.754 -13.285 91 2HD2 LEU 12 HD23 LEU 12 7.266 -9.044 -14.475 92 3HD2 LEU 12 HD22 LEU 12 8.895 -8.623 -15.006 93 H ILE 13 HN ILE 13 5.887 -5.883 -12.605 94 HA ILE 13 HA ILE 13 6.015 -5.707 -9.633 95 HB ILE 13 HB ILE 13 3.632 -4.916 -9.635 96 1HG1 ILE 13 HG12 ILE 13 4.159 -4.384 -12.575 97 2HG1 ILE 13 HG11 ILE 13 3.164 -5.711 -11.978 98 1HG2 ILE 13 HG21 ILE 13 5.820 -3.252 -10.885 99 2HG2 ILE 13 HG23 ILE 13 4.239 -2.565 -10.514 100 3HG2 ILE 13 HG22 ILE 13 5.238 -3.226 -9.220 101 1HD1 ILE 13 HD11 ILE 13 1.812 -3.943 -10.717 102 2HD1 ILE 13 HD13 ILE 13 2.665 -2.743 -11.689 103 3HD1 ILE 13 HD12 ILE 13 1.638 -3.945 -12.472 104 H GLY 14 HN GLY 14 4.659 -7.149 -12.538 105 1HA GLY 14 HA2 GLY 14 4.357 -9.717 -11.238 106 2HA GLY 14 HA1 GLY 14 2.791 -8.952 -11.513 107 H LYS 15 HN LYS 15 2.842 -11.124 -12.885 108 HA LYS 15 HA LYS 15 3.043 -10.293 -15.675 109 1HB LYS 15 HB2 LYS 15 5.403 -11.005 -15.049 110 2HB LYS 15 HB1 LYS 15 4.760 -12.629 -14.802 111 1HG LYS 15 HG2 LYS 15 3.813 -12.468 -17.169 112 2HG LYS 15 HG1 LYS 15 4.818 -11.031 -17.367 113 1HD LYS 15 HD2 LYS 15 6.145 -12.824 -18.193 114 2HD LYS 15 HD1 LYS 15 6.779 -12.492 -16.579 115 1HE LYS 15 HE2 LYS 15 5.733 -14.388 -15.646 116 2HE LYS 15 HE1 LYS 15 4.607 -14.542 -16.995 117 1HZ LYS 15 HZ1 LYS 15 6.916 -14.777 -18.272 118 2HZ LYS 15 HZ3 LYS 15 7.369 -15.422 -16.770 119 3HZ LYS 15 HZ2 LYS 15 6.075 -16.107 -17.632 120 H ASP 16 HN ASP 16 1.312 -11.219 -16.643 121 HA ASP 16 HA ASP 16 -0.447 -12.705 -17.085 122 1HB ASP 16 HB2 ASP 16 1.818 -14.437 -16.234 123 2HB ASP 16 HB1 ASP 16 0.216 -15.176 -16.217 124 H GLY 17 HN GLY 17 -0.279 -11.280 -14.483 125 1HA GLY 17 HA2 GLY 17 -1.988 -11.218 -12.786 126 2HA GLY 17 HA1 GLY 17 -2.272 -12.940 -13.044 127 H HIS 18 HN HIS 18 -0.160 -14.294 -12.550 128 HA HIS 18 HA HIS 18 0.483 -13.806 -9.755 129 1HB HIS 18 HB2 HIS 18 1.919 -15.847 -10.021 130 2HB HIS 18 HB1 HIS 18 0.249 -16.099 -10.527 131 HD1 HIS 18 HD1 HIS 18 3.720 -15.611 -11.927 132 HD2 HIS 18 HD2 HIS 18 -0.092 -16.615 -13.280 133 HE1 HIS 18 HE1 HIS 18 3.991 -16.382 -14.324 134 H LEU 19 HN LEU 19 3.017 -14.203 -9.246 135 HA LEU 19 HA LEU 19 4.382 -11.911 -10.503 136 1HB LEU 19 HB2 LEU 19 5.022 -13.686 -8.138 137 2HB LEU 19 HB1 LEU 19 6.155 -12.477 -8.744 138 HG LEU 19 HG LEU 19 3.299 -11.783 -8.041 139 1HD1 LEU 19 HD11 LEU 19 5.718 -12.074 -6.286 140 2HD1 LEU 19 HD13 LEU 19 4.549 -10.800 -5.938 141 3HD1 LEU 19 HD12 LEU 19 4.038 -12.487 -5.945 142 1HD2 LEU 19 HD22 LEU 19 5.823 -10.322 -8.732 143 2HD2 LEU 19 HD21 LEU 19 4.169 -10.005 -9.256 144 3HD2 LEU 19 HD23 LEU 19 4.682 -9.550 -7.631 145 HA PRO 20 HA PRO 20 7.020 -14.416 -13.076 146 1HB PRO 20 HB2 PRO 20 9.179 -12.652 -13.225 147 2HB PRO 20 HB1 PRO 20 7.734 -12.601 -14.244 148 1HG PRO 20 HG2 PRO 20 8.557 -10.737 -12.220 149 2HG PRO 20 HG1 PRO 20 7.155 -10.651 -13.295 150 1HD PRO 20 HD2 PRO 20 7.255 -11.391 -10.477 151 2HD PRO 20 HD1 PRO 20 5.848 -11.031 -11.490 152 H TRP 21 HN TRP 21 8.237 -13.164 -10.037 153 HA TRP 21 HA TRP 21 10.408 -15.218 -10.061 154 1HB TRP 21 HB2 TRP 21 11.352 -13.889 -8.152 155 2HB TRP 21 HB1 TRP 21 11.248 -12.974 -9.655 156 HD1 TRP 21 HD1 TRP 21 9.491 -13.375 -6.269 157 HE1 TRP 21 HE1 TRP 21 8.119 -11.243 -5.799 158 HE3 TRP 21 HE3 TRP 21 10.109 -10.930 -10.710 159 HZ2 TRP 21 HZ2 TRP 21 7.382 -8.821 -7.131 160 HZ3 TRP 21 HZ3 TRP 21 9.062 -8.715 -11.081 161 HH2 TRP 21 HH2 TRP 21 7.700 -7.659 -9.300 162 H HIS 22 HN HIS 22 10.826 -16.128 -7.766 163 HA HIS 22 HA HIS 22 8.203 -16.669 -6.427 164 1HB HIS 22 HB2 HIS 22 9.244 -18.589 -7.782 165 2HB HIS 22 HB1 HIS 22 10.507 -18.623 -6.550 166 HD1 HIS 22 HD1 HIS 22 6.681 -18.520 -6.530 167 HD2 HIS 22 HD2 HIS 22 9.837 -20.380 -4.542 168 HE1 HIS 22 HE1 HIS 22 5.636 -20.063 -4.815 169 H LEU 23 HN LEU 23 8.419 -15.302 -4.666 170 HA LEU 23 HA LEU 23 10.830 -15.731 -2.943 171 1HB LEU 23 HB2 LEU 23 10.498 -13.415 -4.061 172 2HB LEU 23 HB1 LEU 23 9.169 -13.211 -2.920 173 HG LEU 23 HG LEU 23 10.756 -13.714 -1.052 174 1HD1 LEU 23 HD13 LEU 23 12.675 -13.832 -3.377 175 2HD1 LEU 23 HD12 LEU 23 13.235 -13.420 -1.756 176 3HD1 LEU 23 HD11 LEU 23 12.476 -14.984 -2.056 177 1HD2 LEU 23 HD23 LEU 23 10.321 -11.356 -2.314 178 2HD2 LEU 23 HD22 LEU 23 11.369 -11.507 -0.903 179 3HD2 LEU 23 HD21 LEU 23 12.068 -11.485 -2.521 180 HA PRO 24 HA PRO 24 7.141 -17.609 -0.766 181 1HB PRO 24 HB2 PRO 24 9.218 -18.642 1.006 182 2HB PRO 24 HB1 PRO 24 8.056 -19.528 0.010 183 1HG PRO 24 HG2 PRO 24 10.838 -19.100 -0.482 184 2HG PRO 24 HG1 PRO 24 9.675 -19.994 -1.470 185 1HD PRO 24 HD2 PRO 24 10.900 -17.557 -2.142 186 2HD PRO 24 HD1 PRO 24 9.525 -18.305 -2.968 187 H ASP 25 HN ASP 25 10.007 -15.973 0.564 188 HA ASP 25 HA ASP 25 8.916 -15.369 3.136 189 1HB ASP 25 HB2 ASP 25 11.357 -15.088 2.145 190 2HB ASP 25 HB1 ASP 25 10.786 -13.460 1.777 191 H ASP 26 HN ASP 26 9.039 -13.410 0.145 192 HA ASP 26 HA ASP 26 7.572 -11.188 1.191 193 1HB ASP 26 HB2 ASP 26 8.908 -11.141 -0.921 194 2HB ASP 26 HB1 ASP 26 7.683 -12.156 -1.682 195 H LEU 27 HN LEU 27 6.574 -14.282 -0.130 196 HA LEU 27 HA LEU 27 3.793 -13.562 -0.523 197 1HB LEU 27 HB2 LEU 27 5.068 -16.288 -0.130 198 2HB LEU 27 HB1 LEU 27 3.436 -15.993 -0.734 199 HG LEU 27 HG LEU 27 5.959 -14.950 -2.054 200 1HD1 LEU 27 HD11 LEU 27 4.352 -17.459 -2.413 201 2HD1 LEU 27 HD13 LEU 27 5.089 -16.705 -3.827 202 3HD1 LEU 27 HD12 LEU 27 6.101 -17.234 -2.483 203 1HD2 LEU 27 HD23 LEU 27 3.031 -14.670 -2.523 204 2HD2 LEU 27 HD22 LEU 27 4.341 -13.546 -2.888 205 3HD2 LEU 27 HD21 LEU 27 4.034 -14.920 -3.951 206 H HIS 28 HN HIS 28 5.716 -14.527 2.206 207 HA HIS 28 HA HIS 28 3.363 -15.244 3.837 208 1HB HIS 28 HB2 HIS 28 6.339 -15.155 4.344 209 2HB HIS 28 HB1 HIS 28 5.189 -15.379 5.662 210 HD1 HIS 28 HD1 HIS 28 3.204 -17.316 4.748 211 HD2 HIS 28 HD2 HIS 28 7.175 -17.645 3.519 212 HE1 HIS 28 HE1 HIS 28 3.534 -19.720 4.023 213 H TYR 29 HN TYR 29 5.456 -12.511 3.248 214 HA TYR 29 HA TYR 29 4.802 -11.035 5.646 215 1HB TYR 29 HB2 TYR 29 6.765 -10.625 4.042 216 2HB TYR 29 HB1 TYR 29 5.597 -9.821 2.994 217 HD1 TYR 29 HD1 TYR 29 6.317 -9.904 6.683 218 HD2 TYR 29 HD2 TYR 29 5.581 -7.506 3.197 219 HE1 TYR 29 HE1 TYR 29 6.497 -7.848 8.059 220 HE2 TYR 29 HE2 TYR 29 5.761 -5.450 4.571 221 HH TYR 29 HH TYR 29 6.226 -4.617 6.578 222 H PHE 30 HN PHE 30 3.230 -11.518 2.568 223 HA PHE 30 HA PHE 30 1.515 -9.228 2.571 224 1HB PHE 30 HB2 PHE 30 1.867 -10.807 0.636 225 2HB PHE 30 HB1 PHE 30 0.863 -11.983 1.485 226 HD1 PHE 30 HD2 PHE 30 0.821 -8.401 0.371 227 HD2 PHE 30 HD1 PHE 30 -1.449 -11.964 1.148 228 HE1 PHE 30 HE2 PHE 30 -1.219 -7.290 -0.497 229 HE2 PHE 30 HE1 PHE 30 -3.489 -10.853 0.280 230 HZ PHE 30 HZ PHE 30 -3.374 -8.516 -0.543 231 H ARG 31 HN ARG 31 1.030 -12.530 3.847 232 HA ARG 31 HA ARG 31 -1.608 -12.080 4.861 233 1HB ARG 31 HB2 ARG 31 -0.419 -14.321 4.564 234 2HB ARG 31 HB1 ARG 31 0.434 -13.960 6.066 235 1HG ARG 31 HG2 ARG 31 -1.546 -14.001 7.344 236 2HG ARG 31 HG1 ARG 31 -2.573 -13.808 5.924 237 1HD ARG 31 HD2 ARG 31 -2.037 -16.050 5.162 238 2HD ARG 31 HD1 ARG 31 -0.854 -16.248 6.456 239 HE ARG 31 HE ARG 31 -3.762 -16.469 6.730 240 1HH1 ARG 31 HH11 ARG 31 -0.721 -15.895 8.309 241 2HH1 ARG 31 HH12 ARG 31 -1.305 -16.371 9.868 242 1HH2 ARG 31 HH21 ARG 31 -4.508 -17.085 8.759 243 2HH2 ARG 31 HH22 ARG 31 -3.439 -17.040 10.121 244 H ALA 32 HN ALA 32 1.584 -11.358 6.128 245 HA ALA 32 HA ALA 32 0.666 -10.793 8.835 246 1HB ALA 32 HB2 ALA 32 3.222 -9.990 7.411 247 2HB ALA 32 HB1 ALA 32 2.932 -9.848 9.144 248 3HB ALA 32 HB3 ALA 32 3.004 -11.440 8.388 249 H GLN 33 HN GLN 33 1.074 -8.975 5.859 250 HA GLN 33 HA GLN 33 0.437 -6.437 7.275 251 1HB GLN 33 HB2 GLN 33 1.348 -7.024 4.443 252 2HB GLN 33 HB1 GLN 33 0.912 -5.413 5.015 253 1HG GLN 33 HG2 GLN 33 2.985 -7.115 6.411 254 2HG GLN 33 HG1 GLN 33 3.401 -5.999 5.110 255 1HE2 GLN 33 HE22 GLN 33 2.556 -3.070 7.079 256 2HE2 GLN 33 HE21 GLN 33 2.465 -3.659 5.490 257 H THR 34 HN THR 34 -1.572 -8.538 6.959 258 HA THR 34 HA THR 34 -3.597 -6.938 5.483 259 HB THR 34 HB THR 34 -4.516 -9.121 4.549 260 HG1 THR 34 HG1 THR 34 -1.983 -9.953 5.490 261 1HG2 THR 34 HG22 THR 34 -1.819 -8.056 3.693 262 2HG2 THR 34 HG21 THR 34 -2.728 -9.230 2.743 263 3HG2 THR 34 HG23 THR 34 -3.402 -7.628 3.045 264 H VAL 35 HN VAL 35 -2.807 -9.446 7.827 265 HA VAL 35 HA VAL 35 -5.508 -9.866 8.763 266 HB VAL 35 HB VAL 35 -4.371 -10.882 10.755 267 1HG1 VAL 35 HG11 VAL 35 -3.462 -11.619 7.966 268 2HG1 VAL 35 HG13 VAL 35 -3.086 -12.611 9.375 269 3HG1 VAL 35 HG12 VAL 35 -4.765 -12.343 8.908 270 1HG2 VAL 35 HG21 VAL 35 -1.926 -9.822 9.313 271 2HG2 VAL 35 HG23 VAL 35 -2.437 -9.460 10.961 272 3HG2 VAL 35 HG22 VAL 35 -1.848 -11.072 10.555 273 H GLY 36 HN GLY 36 -6.704 -8.532 10.024 274 1HA GLY 36 HA2 GLY 36 -7.186 -6.972 11.742 275 2HA GLY 36 HA1 GLY 36 -5.456 -6.834 12.061 276 H LYS 37 HN LYS 37 -6.944 -6.425 8.887 277 HA LYS 37 HA LYS 37 -6.805 -3.493 9.041 278 1HB LYS 37 HB2 LYS 37 -4.837 -5.151 7.472 279 2HB LYS 37 HB1 LYS 37 -5.282 -3.532 6.928 280 1HG LYS 37 HG2 LYS 37 -4.773 -2.855 9.412 281 2HG LYS 37 HG1 LYS 37 -3.842 -4.353 9.433 282 1HD LYS 37 HD2 LYS 37 -2.477 -3.615 7.584 283 2HD LYS 37 HD1 LYS 37 -3.502 -2.203 7.327 284 1HE LYS 37 HE2 LYS 37 -2.756 -1.149 9.298 285 2HE LYS 37 HE1 LYS 37 -2.138 -2.655 9.976 286 1HZ LYS 37 HZ2 LYS 37 -1.037 -1.272 7.589 287 2HZ LYS 37 HZ1 LYS 37 -0.360 -1.228 9.147 288 3HZ LYS 37 HZ3 LYS 37 -0.425 -2.692 8.293 289 H ILE 38 HN ILE 38 -7.394 -2.572 6.782 290 HA ILE 38 HA ILE 38 -9.630 -4.210 5.727 291 HB ILE 38 HB ILE 38 -8.904 -1.330 5.108 292 1HG1 ILE 38 HG12 ILE 38 -10.988 -2.373 7.049 293 2HG1 ILE 38 HG11 ILE 38 -9.393 -1.806 7.546 294 1HG2 ILE 38 HG23 ILE 38 -10.386 -2.562 3.483 295 2HG2 ILE 38 HG22 ILE 38 -11.527 -2.821 4.802 296 3HG2 ILE 38 HG21 ILE 38 -11.168 -1.182 4.256 297 1HD1 ILE 38 HD13 ILE 38 -10.009 0.334 6.171 298 2HD1 ILE 38 HD12 ILE 38 -11.666 -0.238 6.353 299 3HD1 ILE 38 HD11 ILE 38 -10.698 0.125 7.781 300 H MET 39 HN MET 39 -8.697 -5.665 4.290 301 HA MET 39 HA MET 39 -6.584 -4.961 2.450 302 1HB MET 39 HB2 MET 39 -7.272 -7.310 3.281 303 2HB MET 39 HB1 MET 39 -8.532 -7.234 2.049 304 1HG MET 39 HG2 MET 39 -5.716 -6.565 1.272 305 2HG MET 39 HG1 MET 39 -6.162 -8.260 1.472 306 1HE MET 39 HE3 MET 39 -7.551 -9.478 0.494 307 2HE MET 39 HE2 MET 39 -9.096 -8.843 -0.063 308 3HE MET 39 HE1 MET 39 -7.908 -9.405 -1.236 309 H VAL 40 HN VAL 40 -6.741 -4.042 0.451 310 HA VAL 40 HA VAL 40 -9.413 -3.940 -0.870 311 HB VAL 40 HB VAL 40 -7.550 -1.559 -0.612 312 1HG1 VAL 40 HG12 VAL 40 -8.972 -1.659 -2.659 313 2HG1 VAL 40 HG11 VAL 40 -10.399 -1.787 -1.631 314 3HG1 VAL 40 HG13 VAL 40 -9.415 -0.323 -1.597 315 1HG2 VAL 40 HG21 VAL 40 -10.172 -2.159 0.796 316 2HG2 VAL 40 HG23 VAL 40 -8.583 -2.133 1.557 317 3HG2 VAL 40 HG22 VAL 40 -9.274 -0.646 0.909 318 H VAL 41 HN VAL 41 -9.155 -4.807 -2.859 319 HA VAL 41 HA VAL 41 -6.647 -4.198 -4.361 320 HB VAL 41 HB VAL 41 -6.715 -6.544 -5.248 321 1HG1 VAL 41 HG13 VAL 41 -6.239 -5.852 -2.379 322 2HG1 VAL 41 HG12 VAL 41 -6.165 -7.552 -2.840 323 3HG1 VAL 41 HG11 VAL 41 -5.092 -6.383 -3.610 324 1HG2 VAL 41 HG22 VAL 41 -9.132 -6.922 -4.725 325 2HG2 VAL 41 HG21 VAL 41 -8.093 -8.197 -4.091 326 3HG2 VAL 41 HG23 VAL 41 -8.724 -6.956 -3.010 327 H GLY 42 HN GLY 42 -7.078 -5.091 -6.770 328 1HA GLY 42 HA2 GLY 42 -9.551 -3.719 -7.641 329 2HA GLY 42 HA1 GLY 42 -8.217 -4.208 -8.687 330 H ARG 43 HN ARG 43 -10.160 -5.027 -9.979 331 HA ARG 43 HA ARG 43 -11.486 -7.437 -8.975 332 1HB ARG 43 HB2 ARG 43 -12.439 -5.705 -10.645 333 2HB ARG 43 HB1 ARG 43 -11.444 -6.522 -11.851 334 1HG ARG 43 HG2 ARG 43 -12.532 -8.684 -11.214 335 2HG ARG 43 HG1 ARG 43 -13.600 -7.787 -10.134 336 1HD ARG 43 HD2 ARG 43 -14.829 -8.030 -12.158 337 2HD ARG 43 HD1 ARG 43 -14.224 -6.373 -12.181 338 HE ARG 43 HE ARG 43 -12.313 -8.040 -13.481 339 1HH1 ARG 43 HH11 ARG 43 -15.541 -6.818 -13.884 340 2HH1 ARG 43 HH12 ARG 43 -15.467 -6.856 -15.614 341 1HH2 ARG 43 HH21 ARG 43 -12.230 -8.084 -15.727 342 2HH2 ARG 43 HH22 ARG 43 -13.601 -7.570 -16.651 343 H ARG 44 HN ARG 44 -8.898 -6.667 -11.284 344 HA ARG 44 HA ARG 44 -8.516 -9.421 -12.119 345 1HB ARG 44 HB2 ARG 44 -7.827 -7.323 -13.410 346 2HB ARG 44 HB1 ARG 44 -6.473 -7.196 -12.286 347 1HG ARG 44 HG2 ARG 44 -5.844 -9.559 -12.896 348 2HG ARG 44 HG1 ARG 44 -7.084 -9.506 -14.150 349 1HD ARG 44 HD2 ARG 44 -5.912 -7.363 -14.970 350 2HD ARG 44 HD1 ARG 44 -4.565 -7.854 -13.944 351 HE ARG 44 HE ARG 44 -5.279 -10.084 -15.550 352 1HH1 ARG 44 HH11 ARG 44 -3.977 -6.878 -15.869 353 2HH1 ARG 44 HH12 ARG 44 -3.064 -7.262 -17.289 354 1HH2 ARG 44 HH21 ARG 44 -4.088 -10.570 -17.394 355 2HH2 ARG 44 HH22 ARG 44 -3.126 -9.343 -18.147 356 H THR 45 HN THR 45 -7.187 -7.351 -9.598 357 HA THR 45 HA THR 45 -5.047 -9.189 -8.875 358 HB THR 45 HB THR 45 -6.258 -7.013 -7.150 359 HG1 THR 45 HG1 THR 45 -5.006 -6.835 -9.514 360 1HG2 THR 45 HG21 THR 45 -3.594 -8.436 -7.258 361 2HG2 THR 45 HG23 THR 45 -3.823 -6.921 -6.385 362 3HG2 THR 45 HG22 THR 45 -4.728 -8.359 -5.910 363 H TYR 46 HN TYR 46 -8.394 -8.693 -7.933 364 HA TYR 46 HA TYR 46 -8.365 -10.224 -5.512 365 1HB TYR 46 HB2 TYR 46 -10.227 -8.695 -6.364 366 2HB TYR 46 HB1 TYR 46 -10.698 -10.020 -7.428 367 HD1 TYR 46 HD2 TYR 46 -9.687 -9.588 -3.833 368 HD2 TYR 46 HD1 TYR 46 -12.398 -11.388 -6.636 369 HE1 TYR 46 HE2 TYR 46 -10.912 -10.658 -1.961 370 HE2 TYR 46 HE1 TYR 46 -13.623 -12.459 -4.763 371 HH TYR 46 HH TYR 46 -13.603 -12.897 -2.569 372 H GLU 47 HN GLU 47 -9.494 -11.186 -8.777 373 HA GLU 47 HA GLU 47 -9.719 -13.970 -8.138 374 1HB GLU 47 HB2 GLU 47 -9.337 -12.568 -10.800 375 2HB GLU 47 HB1 GLU 47 -9.725 -14.281 -10.629 376 1HG GLU 47 HG2 GLU 47 -11.850 -13.833 -9.709 377 2HG GLU 47 HG1 GLU 47 -11.423 -12.170 -9.307 378 H SER 48 HN SER 48 -6.980 -11.989 -8.713 379 HA SER 48 HA SER 48 -5.185 -13.867 -9.900 380 1HB SER 48 HB2 SER 48 -4.834 -11.350 -9.531 381 2HB SER 48 HB1 SER 48 -4.383 -11.765 -7.880 382 HG SER 48 HG SER 48 -2.506 -12.263 -8.658 383 H PHE 49 HN PHE 49 -6.330 -13.459 -6.612 384 HA PHE 49 HA PHE 49 -4.297 -15.011 -5.299 385 1HB PHE 49 HB2 PHE 49 -7.201 -14.662 -4.489 386 2HB PHE 49 HB1 PHE 49 -5.868 -15.137 -3.437 387 HD1 PHE 49 HD2 PHE 49 -3.700 -13.414 -3.918 388 HD2 PHE 49 HD1 PHE 49 -7.886 -12.472 -4.111 389 HE1 PHE 49 HE2 PHE 49 -3.182 -11.027 -3.493 390 HE2 PHE 49 HE1 PHE 49 -7.368 -10.084 -3.686 391 HZ PHE 49 HZ PHE 49 -5.016 -9.361 -3.377 392 HA PRO 50 HA PRO 50 -5.536 -19.168 -6.285 393 1HB PRO 50 HB2 PRO 50 -4.842 -20.392 -3.862 394 2HB PRO 50 HB1 PRO 50 -3.751 -20.077 -5.218 395 1HG PRO 50 HG2 PRO 50 -3.747 -18.862 -2.627 396 2HG PRO 50 HG1 PRO 50 -2.644 -18.568 -3.978 397 1HD PRO 50 HD2 PRO 50 -4.884 -16.938 -3.045 398 2HD PRO 50 HD1 PRO 50 -3.581 -16.513 -4.167 399 H LYS 51 HN LYS 51 -6.227 -18.904 -2.783 400 HA LYS 51 HA LYS 51 -8.946 -20.004 -3.334 401 1HB LYS 51 HB2 LYS 51 -8.950 -20.523 -0.879 402 2HB LYS 51 HB1 LYS 51 -7.659 -21.339 -1.761 403 1HG LYS 51 HG2 LYS 51 -6.026 -19.740 -1.009 404 2HG LYS 51 HG1 LYS 51 -7.275 -18.695 -0.335 405 1HD LYS 51 HD2 LYS 51 -7.835 -20.343 1.350 406 2HD LYS 51 HD1 LYS 51 -6.756 -21.527 0.610 407 1HE LYS 51 HE2 LYS 51 -5.826 -18.861 1.710 408 2HE LYS 51 HE1 LYS 51 -5.773 -20.370 2.621 409 1HZ LYS 51 HZ3 LYS 51 -4.577 -21.172 0.432 410 2HZ LYS 51 HZ2 LYS 51 -4.177 -19.524 0.325 411 3HZ LYS 51 HZ1 LYS 51 -3.722 -20.424 1.692 412 H ARG 52 HN ARG 52 -10.776 -18.894 -2.605 413 HA ARG 52 HA ARG 52 -10.393 -16.356 -1.116 414 1HB ARG 52 HB2 ARG 52 -11.429 -16.624 -3.920 415 2HB ARG 52 HB1 ARG 52 -12.111 -15.382 -2.871 416 1HG ARG 52 HG2 ARG 52 -9.819 -14.533 -2.418 417 2HG ARG 52 HG1 ARG 52 -9.173 -15.738 -3.535 418 1HD ARG 52 HD2 ARG 52 -11.345 -13.886 -4.467 419 2HD ARG 52 HD1 ARG 52 -9.682 -13.304 -4.399 420 HE ARG 52 HE ARG 52 -9.091 -14.887 -6.114 421 1HH1 ARG 52 HH11 ARG 52 -12.419 -15.074 -5.132 422 2HH1 ARG 52 HH12 ARG 52 -12.895 -16.018 -6.504 423 1HH2 ARG 52 HH21 ARG 52 -9.721 -16.113 -7.890 424 2HH2 ARG 52 HH22 ARG 52 -11.374 -16.603 -8.057 425 HA PRO 53 HA PRO 53 -11.975 -14.544 -1.044 426 1HB PRO 53 HB2 PRO 53 -13.363 -13.610 1.201 427 2HB PRO 53 HB1 PRO 53 -13.898 -13.473 -0.480 428 1HG PRO 53 HG2 PRO 53 -15.031 -15.064 1.613 429 2HG PRO 53 HG1 PRO 53 -15.577 -14.903 -0.062 430 1HD PRO 53 HD2 PRO 53 -14.080 -17.084 1.186 431 2HD PRO 53 HD1 PRO 53 -14.924 -17.052 -0.371 432 H LEU 54 HN LEU 54 -10.364 -13.485 0.204 433 HA LEU 54 HA LEU 54 -8.820 -15.096 1.977 434 1HB LEU 54 HB2 LEU 54 -8.813 -12.078 1.691 435 2HB LEU 54 HB1 LEU 54 -7.524 -13.054 2.396 436 HG LEU 54 HG LEU 54 -8.520 -13.356 -0.451 437 1HD1 LEU 54 HD12 LEU 54 -6.393 -11.658 0.788 438 2HD1 LEU 54 HD11 LEU 54 -6.051 -12.406 -0.772 439 3HD1 LEU 54 HD13 LEU 54 -7.430 -11.321 -0.597 440 1HD2 LEU 54 HD22 LEU 54 -6.275 -14.570 1.169 441 2HD2 LEU 54 HD21 LEU 54 -7.536 -15.402 0.261 442 3HD2 LEU 54 HD23 LEU 54 -6.243 -14.559 -0.594 443 HA PRO 55 HA PRO 55 -11.487 -14.267 5.582 444 1HB PRO 55 HB2 PRO 55 -10.373 -16.384 7.047 445 2HB PRO 55 HB1 PRO 55 -11.833 -16.461 6.052 446 1HG PRO 55 HG2 PRO 55 -9.312 -17.726 5.585 447 2HG PRO 55 HG1 PRO 55 -10.778 -17.804 4.596 448 1HD PRO 55 HD2 PRO 55 -8.339 -16.251 4.155 449 2HD PRO 55 HD1 PRO 55 -9.657 -16.612 3.029 450 H GLU 56 HN GLU 56 -10.879 -14.115 8.033 451 HA GLU 56 HA GLU 56 -9.592 -13.075 9.690 452 1HB GLU 56 HB2 GLU 56 -7.217 -13.962 8.025 453 2HB GLU 56 HB1 GLU 56 -7.216 -13.552 9.740 454 1HG GLU 56 HG2 GLU 56 -8.664 -15.448 10.240 455 2HG GLU 56 HG1 GLU 56 -8.807 -15.827 8.523 456 H ARG 57 HN ARG 57 -10.376 -11.674 7.125 457 HA ARG 57 HA ARG 57 -9.183 -9.142 7.680 458 1HB ARG 57 HB2 ARG 57 -7.827 -8.877 5.606 459 2HB ARG 57 HB1 ARG 57 -7.161 -10.099 6.689 460 1HG ARG 57 HG2 ARG 57 -8.665 -11.742 5.279 461 2HG ARG 57 HG1 ARG 57 -8.580 -10.462 4.069 462 1HD ARG 57 HD2 ARG 57 -6.673 -11.606 3.481 463 2HD ARG 57 HD1 ARG 57 -5.980 -10.568 4.727 464 HE ARG 57 HE ARG 57 -6.728 -12.712 6.210 465 1HH1 ARG 57 HH21 ARG 57 -5.103 -12.480 3.148 466 2HH1 ARG 57 HH22 ARG 57 -4.215 -13.949 3.373 467 1HH2 ARG 57 HH11 ARG 57 -5.570 -14.616 6.491 468 2HH2 ARG 57 HH12 ARG 57 -4.478 -15.153 5.258 469 H THR 58 HN THR 58 -10.189 -7.483 6.453 470 HA THR 58 HA THR 58 -12.686 -8.278 5.159 471 HB THR 58 HB THR 58 -11.495 -5.498 5.288 472 HG1 THR 58 HG1 THR 58 -12.475 -7.143 7.253 473 1HG2 THR 58 HG21 THR 58 -14.315 -6.585 5.077 474 2HG2 THR 58 HG23 THR 58 -13.924 -4.883 5.321 475 3HG2 THR 58 HG22 THR 58 -13.429 -5.696 3.838 476 H ASN 59 HN ASN 59 -12.928 -8.630 3.010 477 HA ASN 59 HA ASN 59 -10.696 -7.861 1.196 478 1HB ASN 59 HB2 ASN 59 -12.948 -9.867 0.989 479 2HB ASN 59 HB1 ASN 59 -11.981 -9.407 -0.412 480 1HD2 ASN 59 HD22 ASN 59 -9.811 -11.089 2.649 481 2HD2 ASN 59 HD21 ASN 59 -10.943 -9.877 3.003 482 H VAL 60 HN VAL 60 -10.979 -6.000 0.085 483 HA VAL 60 HA VAL 60 -13.772 -5.174 -0.606 484 HB VAL 60 HB VAL 60 -11.321 -3.407 -0.337 485 1HG1 VAL 60 HG11 VAL 60 -14.268 -2.901 -0.787 486 2HG1 VAL 60 HG13 VAL 60 -13.180 -1.646 -0.193 487 3HG1 VAL 60 HG12 VAL 60 -12.910 -2.369 -1.780 488 1HG2 VAL 60 HG23 VAL 60 -13.621 -3.893 1.585 489 2HG2 VAL 60 HG22 VAL 60 -11.945 -4.381 1.837 490 3HG2 VAL 60 HG21 VAL 60 -12.369 -2.669 1.790 491 H VAL 61 HN VAL 61 -14.168 -4.484 -2.744 492 HA VAL 61 HA VAL 61 -11.914 -4.789 -4.679 493 HB VAL 61 HB VAL 61 -14.723 -5.851 -5.107 494 1HG1 VAL 61 HG11 VAL 61 -12.151 -6.031 -6.702 495 2HG1 VAL 61 HG13 VAL 61 -13.594 -6.983 -7.051 496 3HG1 VAL 61 HG12 VAL 61 -13.644 -5.225 -7.185 497 1HG2 VAL 61 HG23 VAL 61 -13.495 -7.145 -3.386 498 2HG2 VAL 61 HG22 VAL 61 -13.702 -8.081 -4.866 499 3HG2 VAL 61 HG21 VAL 61 -12.145 -7.337 -4.504 500 H LEU 62 HN LEU 62 -11.715 -2.896 -5.752 501 HA LEU 62 HA LEU 62 -14.074 -1.099 -5.964 502 1HB LEU 62 HB2 LEU 62 -11.832 -0.271 -5.097 503 2HB LEU 62 HB1 LEU 62 -11.206 -0.498 -6.730 504 HG LEU 62 HG LEU 62 -13.251 0.934 -7.467 505 1HD1 LEU 62 HD13 LEU 62 -13.108 1.417 -4.490 506 2HD1 LEU 62 HD12 LEU 62 -13.742 2.643 -5.588 507 3HD1 LEU 62 HD11 LEU 62 -14.527 1.068 -5.477 508 1HD2 LEU 62 HD22 LEU 62 -10.843 2.013 -5.977 509 2HD2 LEU 62 HD21 LEU 62 -11.020 1.785 -7.717 510 3HD2 LEU 62 HD23 LEU 62 -11.940 3.045 -6.895 511 H THR 63 HN THR 63 -15.270 -1.595 -7.754 512 HA THR 63 HA THR 63 -13.843 -1.672 -10.369 513 HB THR 63 HB THR 63 -14.294 -4.002 -9.827 514 HG1 THR 63 HG1 THR 63 -14.931 -2.962 -11.956 515 1HG2 THR 63 HG21 THR 63 -17.079 -2.975 -9.248 516 2HG2 THR 63 HG23 THR 63 -16.721 -4.686 -9.487 517 3HG2 THR 63 HG22 THR 63 -15.984 -3.810 -8.146 518 H HIS 64 HN HIS 64 -15.214 -1.020 -12.166 519 HA HIS 64 HA HIS 64 -17.403 0.790 -11.288 520 1HB HIS 64 HB2 HIS 64 -17.183 1.730 -13.606 521 2HB HIS 64 HB1 HIS 64 -15.697 1.843 -12.663 522 HD1 HIS 64 HD1 HIS 64 -13.653 0.710 -13.602 523 HD2 HIS 64 HD2 HIS 64 -17.143 -0.520 -15.520 524 HE1 HIS 64 HE1 HIS 64 -12.927 -0.732 -15.553 525 H GLN 65 HN GLN 65 -16.766 -2.044 -13.264 526 HA GLN 65 HA GLN 65 -19.342 -2.075 -14.590 527 1HB GLN 65 HB2 GLN 65 -17.188 -3.304 -15.294 528 2HB GLN 65 HB1 GLN 65 -17.616 -4.498 -14.068 529 1HG GLN 65 HG2 GLN 65 -18.604 -5.353 -16.030 530 2HG GLN 65 HG1 GLN 65 -19.941 -4.536 -15.219 531 1HE2 GLN 65 HE22 GLN 65 -18.653 -3.183 -18.818 532 2HE2 GLN 65 HE21 GLN 65 -17.944 -4.535 -18.077 533 H GLU 66 HN GLU 66 -21.256 -2.627 -13.685 534 HA GLU 66 HA GLU 66 -21.324 -3.729 -10.962 535 1HB GLU 66 HB2 GLU 66 -23.523 -2.921 -12.888 536 2HB GLU 66 HB1 GLU 66 -23.804 -3.479 -11.238 537 1HG GLU 66 HG2 GLU 66 -22.153 -1.614 -10.537 538 2HG GLU 66 HG1 GLU 66 -22.417 -0.962 -12.155 539 H ASP 67 HN ASP 67 -20.307 -5.407 -13.193 540 HA ASP 67 HA ASP 67 -22.406 -7.519 -13.327 541 1HB ASP 67 HB2 ASP 67 -21.167 -6.663 -15.418 542 2HB ASP 67 HB1 ASP 67 -19.764 -7.529 -14.793 543 H TYR 68 HN TYR 68 -19.111 -6.881 -12.225 544 HA TYR 68 HA TYR 68 -18.557 -9.606 -11.416 545 1HB TYR 68 HB2 TYR 68 -16.867 -7.707 -11.848 546 2HB TYR 68 HB1 TYR 68 -17.278 -7.141 -10.229 547 HD1 TYR 68 HD2 TYR 68 -16.140 -10.175 -12.097 548 HD2 TYR 68 HD1 TYR 68 -16.272 -8.108 -8.334 549 HE1 TYR 68 HE2 TYR 68 -14.613 -11.865 -11.116 550 HE2 TYR 68 HE1 TYR 68 -14.745 -9.799 -7.352 551 HH TYR 68 HH TYR 68 -14.145 -12.230 -7.831 552 H GLN 69 HN GLN 69 -18.881 -10.567 -9.414 553 HA GLN 69 HA GLN 69 -19.994 -8.927 -7.204 554 1HB GLN 69 HB2 GLN 69 -21.353 -11.364 -8.395 555 2HB GLN 69 HB1 GLN 69 -21.813 -10.618 -6.864 556 1HG GLN 69 HG2 GLN 69 -22.239 -8.482 -8.042 557 2HG GLN 69 HG1 GLN 69 -21.816 -9.252 -9.572 558 1HE2 GLN 69 HE21 GLN 69 -24.419 -8.618 -7.450 559 2HE2 GLN 69 HE22 GLN 69 -25.540 -9.701 -8.122 560 H ALA 70 HN ALA 70 -18.367 -9.355 -5.756 561 HA ALA 70 HA ALA 70 -17.263 -12.080 -5.515 562 1HB ALA 70 HB1 ALA 70 -16.620 -9.409 -4.275 563 2HB ALA 70 HB3 ALA 70 -15.944 -10.896 -3.611 564 3HB ALA 70 HB2 ALA 70 -15.593 -10.435 -5.276 565 H GLN 71 HN GLN 71 -18.272 -13.541 -4.240 566 HA GLN 71 HA GLN 71 -20.284 -12.717 -2.285 567 1HB GLN 71 HB2 GLN 71 -19.137 -15.405 -3.080 568 2HB GLN 71 HB1 GLN 71 -20.358 -15.220 -1.820 569 1HG GLN 71 HG2 GLN 71 -21.813 -14.033 -3.485 570 2HG GLN 71 HG1 GLN 71 -20.622 -14.414 -4.730 571 1HE2 GLN 71 HE22 GLN 71 -21.626 -17.795 -5.032 572 2HE2 GLN 71 HE21 GLN 71 -20.519 -16.600 -5.510 573 H GLY 72 HN GLY 72 -19.839 -12.222 -0.202 574 1HA GLY 72 HA2 GLY 72 -18.852 -12.471 1.947 575 2HA GLY 72 HA1 GLY 72 -17.725 -13.644 1.264 576 H ALA 73 HN ALA 73 -18.344 -10.383 0.029 577 HA ALA 73 HA ALA 73 -15.842 -9.338 1.159 578 1HB ALA 73 HB2 ALA 73 -15.296 -10.709 -0.977 579 2HB ALA 73 HB1 ALA 73 -16.072 -9.387 -1.849 580 3HB ALA 73 HB3 ALA 73 -14.645 -9.074 -0.859 581 H VAL 74 HN VAL 74 -15.804 -7.070 1.107 582 HA VAL 74 HA VAL 74 -18.358 -5.760 0.646 583 HB VAL 74 HB VAL 74 -15.658 -4.495 1.200 584 1HG1 VAL 74 HG11 VAL 74 -17.462 -2.972 0.404 585 2HG1 VAL 74 HG13 VAL 74 -18.485 -3.528 1.727 586 3HG1 VAL 74 HG12 VAL 74 -16.999 -2.644 2.074 587 1HG2 VAL 74 HG22 VAL 74 -16.241 -6.207 2.896 588 2HG2 VAL 74 HG21 VAL 74 -16.329 -4.580 3.571 589 3HG2 VAL 74 HG23 VAL 74 -17.809 -5.432 3.128 590 H VAL 75 HN VAL 75 -18.805 -5.918 -1.586 591 HA VAL 75 HA VAL 75 -16.855 -5.095 -3.592 592 HB VAL 75 HB VAL 75 -19.851 -5.463 -3.894 593 1HG1 VAL 75 HG13 VAL 75 -18.476 -4.265 -5.705 594 2HG1 VAL 75 HG12 VAL 75 -17.677 -5.816 -5.964 595 3HG1 VAL 75 HG11 VAL 75 -19.414 -5.665 -6.225 596 1HG2 VAL 75 HG23 VAL 75 -17.545 -7.416 -3.953 597 2HG2 VAL 75 HG22 VAL 75 -19.049 -7.531 -3.040 598 3HG2 VAL 75 HG21 VAL 75 -19.060 -7.750 -4.790 599 H VAL 76 HN VAL 76 -16.273 -2.951 -3.410 600 HA VAL 76 HA VAL 76 -18.409 -0.911 -3.072 601 HB VAL 76 HB VAL 76 -16.476 0.663 -2.798 602 1HG1 VAL 76 HG13 VAL 76 -17.528 -0.483 -0.858 603 2HG1 VAL 76 HG12 VAL 76 -16.369 -1.801 -1.031 604 3HG1 VAL 76 HG11 VAL 76 -15.809 -0.186 -0.598 605 1HG2 VAL 76 HG23 VAL 76 -14.913 -1.917 -3.122 606 2HG2 VAL 76 HG22 VAL 76 -14.803 -0.475 -4.132 607 3HG2 VAL 76 HG21 VAL 76 -14.226 -0.432 -2.466 608 H HIS 77 HN HIS 77 -18.522 0.894 -4.568 609 HA HIS 77 HA HIS 77 -17.202 0.431 -7.204 610 1HB HIS 77 HB2 HIS 77 -20.142 0.983 -6.709 611 2HB HIS 77 HB1 HIS 77 -19.376 1.095 -8.293 612 HD1 HIS 77 HD1 HIS 77 -19.096 -1.048 -9.580 613 HD2 HIS 77 HD2 HIS 77 -19.974 -1.741 -5.565 614 HE1 HIS 77 HE1 HIS 77 -19.446 -3.546 -9.344 615 H ASP 78 HN ASP 78 -16.723 2.329 -4.959 616 HA ASP 78 HA ASP 78 -16.581 4.766 -6.573 617 1HB ASP 78 HB2 ASP 78 -18.512 4.470 -4.296 618 2HB ASP 78 HB1 ASP 78 -17.718 6.025 -4.542 619 H VAL 79 HN VAL 79 -14.917 6.093 -5.845 620 HA VAL 79 HA VAL 79 -13.012 4.974 -3.999 621 HB VAL 79 HB VAL 79 -13.177 7.834 -4.999 622 1HG1 VAL 79 HG11 VAL 79 -11.603 7.313 -3.096 623 2HG1 VAL 79 HG13 VAL 79 -10.784 6.172 -4.162 624 3HG1 VAL 79 HG12 VAL 79 -10.801 7.891 -4.557 625 1HG2 VAL 79 HG22 VAL 79 -11.893 5.370 -6.223 626 2HG2 VAL 79 HG21 VAL 79 -13.241 6.289 -6.893 627 3HG2 VAL 79 HG23 VAL 79 -11.638 7.019 -6.795 628 H ALA 80 HN ALA 80 -15.548 7.412 -3.709 629 HA ALA 80 HA ALA 80 -14.761 8.338 -1.081 630 1HB ALA 80 HB3 ALA 80 -17.442 8.453 -2.499 631 2HB ALA 80 HB2 ALA 80 -17.040 9.330 -1.021 632 3HB ALA 80 HB1 ALA 80 -16.198 9.704 -2.525 633 H ALA 81 HN ALA 81 -16.793 5.730 -2.289 634 HA ALA 81 HA ALA 81 -18.096 5.099 0.195 635 1HB ALA 81 HB1 ALA 81 -18.738 4.271 -2.129 636 2HB ALA 81 HB3 ALA 81 -17.399 3.131 -1.998 637 3HB ALA 81 HB2 ALA 81 -18.744 3.047 -0.860 638 H VAL 82 HN VAL 82 -15.008 4.137 -1.238 639 HA VAL 82 HA VAL 82 -14.389 2.085 0.689 640 HB VAL 82 HB VAL 82 -12.455 3.797 -0.901 641 1HG1 VAL 82 HG12 VAL 82 -12.243 1.030 0.323 642 2HG1 VAL 82 HG11 VAL 82 -11.018 1.773 -0.706 643 3HG1 VAL 82 HG13 VAL 82 -11.395 2.476 0.867 644 1HG2 VAL 82 HG21 VAL 82 -14.198 1.467 -1.635 645 2HG2 VAL 82 HG23 VAL 82 -13.781 2.891 -2.588 646 3HG2 VAL 82 HG22 VAL 82 -12.600 1.599 -2.371 647 H PHE 83 HN PHE 83 -13.699 5.567 0.518 648 HA PHE 83 HA PHE 83 -12.097 5.607 2.934 649 1HB PHE 83 HB2 PHE 83 -13.457 7.735 1.277 650 2HB PHE 83 HB1 PHE 83 -12.633 8.129 2.786 651 HD1 PHE 83 HD1 PHE 83 -10.235 6.815 2.987 652 HD2 PHE 83 HD2 PHE 83 -12.186 8.010 -0.648 653 HE1 PHE 83 HE1 PHE 83 -8.054 6.786 1.807 654 HE2 PHE 83 HE2 PHE 83 -10.005 7.981 -1.828 655 HZ PHE 83 HZ PHE 83 -7.939 7.369 -0.601 656 H ALA 84 HN ALA 84 -15.521 5.966 2.201 657 HA ALA 84 HA ALA 84 -16.320 7.025 4.756 658 1HB ALA 84 HB2 ALA 84 -17.716 7.025 2.645 659 2HB ALA 84 HB1 ALA 84 -17.982 5.301 2.899 660 3HB ALA 84 HB3 ALA 84 -18.569 6.468 4.084 661 H TYR 85 HN TYR 85 -15.835 3.751 3.517 662 HA TYR 85 HA TYR 85 -17.006 2.392 5.779 663 1HB TYR 85 HB2 TYR 85 -16.526 1.386 3.491 664 2HB TYR 85 HB1 TYR 85 -14.828 1.325 3.967 665 HD1 TYR 85 HD1 TYR 85 -18.241 0.269 5.077 666 HD2 TYR 85 HD2 TYR 85 -14.015 -0.476 5.242 667 HE1 TYR 85 HE1 TYR 85 -18.661 -1.839 6.313 668 HE2 TYR 85 HE2 TYR 85 -14.434 -2.584 6.477 669 HH TYR 85 HH TYR 85 -16.228 -4.196 6.804 670 H ALA 86 HN ALA 86 -13.764 3.582 5.027 671 HA ALA 86 HA ALA 86 -12.460 2.314 7.274 672 1HB ALA 86 HB1 ALA 86 -11.723 4.686 5.543 673 2HB ALA 86 HB3 ALA 86 -10.677 4.071 6.823 674 3HB ALA 86 HB2 ALA 86 -11.083 3.046 5.446 675 H LYS 87 HN LYS 87 -14.183 5.346 6.806 676 HA LYS 87 HA LYS 87 -13.334 6.606 9.254 677 1HB LYS 87 HB2 LYS 87 -15.699 6.994 7.416 678 2HB LYS 87 HB1 LYS 87 -15.521 7.931 8.901 679 1HG LYS 87 HG2 LYS 87 -13.278 8.678 8.139 680 2HG LYS 87 HG1 LYS 87 -13.512 7.790 6.632 681 1HD LYS 87 HD2 LYS 87 -15.613 9.153 6.265 682 2HD LYS 87 HD1 LYS 87 -15.129 10.142 7.643 683 1HE LYS 87 HE2 LYS 87 -12.857 10.362 6.380 684 2HE LYS 87 HE1 LYS 87 -13.780 9.848 4.968 685 1HZ LYS 87 HZ3 LYS 87 -14.758 12.032 6.692 686 2HZ LYS 87 HZ2 LYS 87 -13.609 12.339 5.479 687 3HZ LYS 87 HZ1 LYS 87 -15.131 11.706 5.070 688 H GLN 88 HN GLN 88 -15.948 4.381 8.424 689 HA GLN 88 HA GLN 88 -17.351 4.605 10.938 690 1HB GLN 88 HB2 GLN 88 -18.218 3.618 8.723 691 2HB GLN 88 HB1 GLN 88 -17.332 2.158 9.166 692 1HG GLN 88 HG2 GLN 88 -18.672 1.755 11.044 693 2HG GLN 88 HG1 GLN 88 -19.209 3.432 11.140 694 1HE2 GLN 88 HE22 GLN 88 -21.632 3.022 8.472 695 2HE2 GLN 88 HE21 GLN 88 -20.529 4.158 9.084 696 H HIS 89 HN HIS 89 -14.659 2.647 9.787 697 HA HIS 89 HA HIS 89 -14.445 1.465 12.530 698 1HB HIS 89 HB2 HIS 89 -13.859 0.287 9.813 699 2HB HIS 89 HB1 HIS 89 -13.116 -0.368 11.273 700 HD1 HIS 89 HD1 HIS 89 -14.411 -2.388 11.944 701 HD2 HIS 89 HD2 HIS 89 -16.922 0.674 10.639 702 HE1 HIS 89 HE1 HIS 89 -16.781 -3.220 12.263 703 HA PRO 90 HA PRO 90 -10.649 4.017 11.939 704 1HB PRO 90 HB2 PRO 90 -10.738 4.966 14.571 705 2HB PRO 90 HB1 PRO 90 -11.343 5.815 13.142 706 1HG PRO 90 HG2 PRO 90 -12.849 4.708 15.310 707 2HG PRO 90 HG1 PRO 90 -13.446 5.582 13.893 708 1HD PRO 90 HD2 PRO 90 -13.473 2.708 14.427 709 2HD PRO 90 HD1 PRO 90 -14.350 3.626 13.191 710 H ASP 91 HN ASP 91 -11.158 1.151 13.027 711 HA ASP 91 HA ASP 91 -8.951 1.001 15.020 712 1HB ASP 91 HB2 ASP 91 -11.188 -0.176 15.390 713 2HB ASP 91 HB1 ASP 91 -10.727 -1.260 14.077 714 H GLN 92 HN GLN 92 -9.821 0.083 11.744 715 HA GLN 92 HA GLN 92 -7.197 -1.310 11.441 716 1HB GLN 92 HB2 GLN 92 -9.774 -1.399 9.867 717 2HB GLN 92 HB1 GLN 92 -8.262 -2.013 9.199 718 1HG GLN 92 HG2 GLN 92 -8.085 -3.706 10.816 719 2HG GLN 92 HG1 GLN 92 -9.179 -2.885 11.931 720 1HE2 GLN 92 HE22 GLN 92 -12.093 -3.813 9.849 721 2HE2 GLN 92 HE21 GLN 92 -11.444 -2.391 10.509 722 H GLU 93 HN GLU 93 -6.392 -0.971 9.005 723 HA GLU 93 HA GLU 93 -6.563 1.953 8.387 724 1HB GLU 93 HB2 GLU 93 -4.155 0.159 8.629 725 2HB GLU 93 HB1 GLU 93 -4.107 1.582 7.587 726 1HG GLU 93 HG2 GLU 93 -3.308 2.347 9.690 727 2HG GLU 93 HG1 GLU 93 -4.984 2.893 9.617 728 H LEU 94 HN LEU 94 -6.216 2.470 6.118 729 HA LEU 94 HA LEU 94 -7.311 0.419 4.334 730 1HB LEU 94 HB2 LEU 94 -7.826 2.949 4.285 731 2HB LEU 94 HB1 LEU 94 -6.262 3.121 3.489 732 HG LEU 94 HG LEU 94 -7.099 1.282 1.876 733 1HD1 LEU 94 HD11 LEU 94 -9.621 2.072 3.331 734 2HD1 LEU 94 HD13 LEU 94 -9.675 1.475 1.673 735 3HD1 LEU 94 HD12 LEU 94 -9.030 0.454 2.958 736 1HD2 LEU 94 HD21 LEU 94 -8.263 4.077 1.973 737 2HD2 LEU 94 HD23 LEU 94 -6.832 3.539 1.093 738 3HD2 LEU 94 HD22 LEU 94 -8.434 3.015 0.575 739 H VAL 95 HN VAL 95 -6.063 -0.989 3.219 740 HA VAL 95 HA VAL 95 -3.243 -0.195 2.603 741 HB VAL 95 HB VAL 95 -4.230 -2.993 3.235 742 1HG1 VAL 95 HG12 VAL 95 -1.456 -1.819 2.872 743 2HG1 VAL 95 HG11 VAL 95 -1.798 -3.479 3.360 744 3HG1 VAL 95 HG13 VAL 95 -2.271 -2.915 1.756 745 1HG2 VAL 95 HG23 VAL 95 -4.305 -1.460 5.207 746 2HG2 VAL 95 HG22 VAL 95 -3.090 -2.726 5.385 747 3HG2 VAL 95 HG21 VAL 95 -2.601 -1.088 4.949 748 H ILE 96 HN ILE 96 -2.956 -0.055 0.441 749 HA ILE 96 HA ILE 96 -4.832 -1.497 -1.359 750 HB ILE 96 HB ILE 96 -2.749 0.591 -2.057 751 1HG1 ILE 96 HG12 ILE 96 -4.410 1.507 -0.475 752 2HG1 ILE 96 HG11 ILE 96 -4.631 2.194 -2.082 753 1HG2 ILE 96 HG22 ILE 96 -3.502 -0.833 -3.928 754 2HG2 ILE 96 HG21 ILE 96 -5.179 -0.435 -3.553 755 3HG2 ILE 96 HG23 ILE 96 -4.079 0.823 -4.116 756 1HD1 ILE 96 HD11 ILE 96 -6.403 0.433 -2.493 757 2HD1 ILE 96 HD13 ILE 96 -6.269 -0.005 -0.791 758 3HD1 ILE 96 HD12 ILE 96 -6.818 1.608 -1.246 759 H ALA 97 HN ALA 97 -4.170 -3.332 -2.353 760 HA ALA 97 HA ALA 97 -1.254 -3.966 -2.343 761 1HB ALA 97 HB2 ALA 97 -3.757 -5.614 -2.281 762 2HB ALA 97 HB1 ALA 97 -2.306 -6.310 -3.003 763 3HB ALA 97 HB3 ALA 97 -2.286 -5.779 -1.322 764 H GLY 98 HN GLY 98 -3.996 -3.373 -4.407 765 1HA GLY 98 HA2 GLY 98 -2.613 -2.757 -6.725 766 2HA GLY 98 HA1 GLY 98 -2.818 -4.507 -6.816 767 H GLY 99 HN GLY 99 -5.825 -3.273 -8.516 768 1HA GLY 99 HA2 GLY 99 -3.076 -4.262 -8.833 769 2HA GLY 99 HA1 GLY 99 -4.222 -3.938 -10.135 770 H ALA 100 HN ALA 100 -2.516 -2.788 -11.269 771 HA ALA 100 HA ALA 100 -1.164 -0.509 -10.151 772 1HB ALA 100 HB1 ALA 100 -0.553 -1.853 -12.263 773 2HB ALA 100 HB3 ALA 100 -1.773 -0.881 -13.086 774 3HB ALA 100 HB2 ALA 100 -0.372 -0.100 -12.352 775 H GLN 101 HN GLN 101 -4.236 -0.922 -11.834 776 HA GLN 101 HA GLN 101 -4.720 1.912 -12.218 777 1HB GLN 101 HB2 GLN 101 -6.499 -0.532 -12.286 778 2HB GLN 101 HB1 GLN 101 -7.126 1.096 -12.544 779 1HG GLN 101 HG2 GLN 101 -5.844 1.407 -14.505 780 2HG GLN 101 HG1 GLN 101 -4.772 0.061 -14.120 781 1HE2 GLN 101 HE22 GLN 101 -7.851 -0.706 -16.473 782 2HE2 GLN 101 HE21 GLN 101 -7.126 0.815 -16.262 783 H ILE 102 HN ILE 102 -5.268 -0.374 -9.623 784 HA ILE 102 HA ILE 102 -7.173 1.246 -8.162 785 HB ILE 102 HB ILE 102 -5.290 -0.872 -7.086 786 1HG1 ILE 102 HG12 ILE 102 -6.602 -1.736 -8.993 787 2HG1 ILE 102 HG11 ILE 102 -7.150 -2.453 -7.480 788 1HG2 ILE 102 HG21 ILE 102 -7.909 0.286 -6.093 789 2HG2 ILE 102 HG23 ILE 102 -7.143 -1.148 -5.407 790 3HG2 ILE 102 HG22 ILE 102 -6.330 0.414 -5.318 791 1HD1 ILE 102 HD13 ILE 102 -8.997 -0.792 -7.384 792 2HD1 ILE 102 HD12 ILE 102 -8.467 -0.137 -8.934 793 3HD1 ILE 102 HD11 ILE 102 -9.081 -1.788 -8.837 794 H PHE 103 HN PHE 103 -3.643 0.921 -8.135 795 HA PHE 103 HA PHE 103 -3.145 2.524 -5.819 796 1HB PHE 103 HB2 PHE 103 -1.488 1.938 -8.284 797 2HB PHE 103 HB1 PHE 103 -0.880 2.898 -6.935 798 HD1 PHE 103 HD2 PHE 103 -1.746 1.667 -4.541 799 HD2 PHE 103 HD1 PHE 103 -0.659 -0.234 -8.237 800 HE1 PHE 103 HE2 PHE 103 -1.196 -0.414 -3.310 801 HE2 PHE 103 HE1 PHE 103 -0.110 -2.315 -7.005 802 HZ PHE 103 HZ PHE 103 -0.377 -2.404 -4.541 803 H THR 104 HN THR 104 -3.271 3.384 -9.284 804 HA THR 104 HA THR 104 -2.758 6.176 -8.927 805 HB THR 104 HB THR 104 -4.539 5.120 -11.114 806 HG1 THR 104 HG1 THR 104 -2.291 4.782 -12.088 807 1HG2 THR 104 HG23 THR 104 -2.414 7.253 -10.853 808 2HG2 THR 104 HG22 THR 104 -3.046 6.730 -12.414 809 3HG2 THR 104 HG21 THR 104 -4.124 7.467 -11.229 810 H ALA 105 HN ALA 105 -5.611 4.238 -8.452 811 HA ALA 105 HA ALA 105 -7.510 6.438 -8.548 812 1HB ALA 105 HB3 ALA 105 -7.626 3.602 -7.514 813 2HB ALA 105 HB2 ALA 105 -8.972 4.721 -7.296 814 3HB ALA 105 HB1 ALA 105 -8.440 4.286 -8.921 815 H PHE 106 HN PHE 106 -5.752 4.730 -5.972 816 HA PHE 106 HA PHE 106 -6.810 6.706 -4.002 817 1HB PHE 106 HB2 PHE 106 -5.486 4.003 -3.689 818 2HB PHE 106 HB1 PHE 106 -5.749 5.094 -2.328 819 HD1 PHE 106 HD2 PHE 106 -8.190 6.045 -2.081 820 HD2 PHE 106 HD1 PHE 106 -7.178 2.508 -4.298 821 HE1 PHE 106 HE2 PHE 106 -10.537 5.264 -1.906 822 HE2 PHE 106 HE1 PHE 106 -9.525 1.727 -4.123 823 HZ PHE 106 HZ PHE 106 -11.205 3.105 -2.927 824 H LYS 107 HN LYS 107 -4.547 7.018 -6.068 825 HA LYS 107 HA LYS 107 -2.117 7.243 -4.475 826 1HB LYS 107 HB2 LYS 107 -2.702 7.173 -7.197 827 2HB LYS 107 HB1 LYS 107 -2.190 8.839 -6.936 828 1HG LYS 107 HG2 LYS 107 -0.605 6.512 -5.842 829 2HG LYS 107 HG1 LYS 107 -0.348 7.119 -7.478 830 1HD LYS 107 HD2 LYS 107 -0.210 8.833 -4.982 831 2HD LYS 107 HD1 LYS 107 1.195 8.152 -5.800 832 1HE LYS 107 HE2 LYS 107 0.213 9.305 -7.926 833 2HE LYS 107 HE1 LYS 107 -0.713 10.268 -6.775 834 1HZ LYS 107 HZ2 LYS 107 2.131 9.963 -6.234 835 2HZ LYS 107 HZ1 LYS 107 1.717 10.930 -7.568 836 3HZ LYS 107 HZ3 LYS 107 1.124 11.314 -6.026 837 H ASP 108 HN ASP 108 -4.836 9.287 -5.189 838 HA ASP 108 HA ASP 108 -3.494 11.788 -4.497 839 1HB ASP 108 HB2 ASP 108 -5.593 11.460 -5.991 840 2HB ASP 108 HB1 ASP 108 -6.478 11.364 -4.468 841 H ASP 109 HN ASP 109 -3.727 9.364 -2.569 842 HA ASP 109 HA ASP 109 -4.131 10.983 -0.167 843 1HB ASP 109 HB2 ASP 109 -6.127 8.922 -1.052 844 2HB ASP 109 HB1 ASP 109 -5.807 9.122 0.671 845 H VAL 110 HN VAL 110 -1.929 9.528 -1.293 846 HA VAL 110 HA VAL 110 -1.693 7.090 0.373 847 HB VAL 110 HB VAL 110 -0.935 6.988 -1.974 848 1HG1 VAL 110 HG11 VAL 110 -0.289 9.382 -2.168 849 2HG1 VAL 110 HG13 VAL 110 1.109 9.067 -1.140 850 3HG1 VAL 110 HG12 VAL 110 0.987 8.300 -2.722 851 1HG2 VAL 110 HG23 VAL 110 0.267 5.797 0.021 852 2HG2 VAL 110 HG22 VAL 110 1.055 5.815 -1.556 853 3HG2 VAL 110 HG21 VAL 110 1.568 6.942 -0.301 854 H ASP 111 HN ASP 111 0.052 6.848 1.899 855 HA ASP 111 HA ASP 111 1.441 9.354 2.708 856 1HB ASP 111 HB2 ASP 111 0.926 8.809 5.104 857 2HB ASP 111 HB1 ASP 111 -0.505 9.235 4.164 858 H THR 112 HN THR 112 1.121 5.839 3.219 859 HA THR 112 HA THR 112 4.039 5.736 3.847 860 HB THR 112 HB THR 112 1.959 3.569 4.257 861 HG1 THR 112 HG1 THR 112 2.162 5.823 5.520 862 1HG2 THR 112 HG22 THR 112 4.841 3.951 5.050 863 2HG2 THR 112 HG21 THR 112 3.782 2.865 5.950 864 3HG2 THR 112 HG23 THR 112 4.098 2.573 4.240 865 H LEU 113 HN LEU 113 5.340 5.041 2.231 866 HA LEU 113 HA LEU 113 4.108 3.474 0.004 867 1HB LEU 113 HB2 LEU 113 6.477 5.344 0.128 868 2HB LEU 113 HB1 LEU 113 6.257 4.220 -1.213 869 HG LEU 113 HG LEU 113 4.031 6.060 -0.345 870 1HD1 LEU 113 HD12 LEU 113 6.053 7.430 -0.833 871 2HD1 LEU 113 HD11 LEU 113 6.172 6.652 -2.412 872 3HD1 LEU 113 HD13 LEU 113 4.781 7.669 -2.031 873 1HD2 LEU 113 HD21 LEU 113 3.537 4.147 -1.855 874 2HD2 LEU 113 HD23 LEU 113 3.295 5.697 -2.662 875 3HD2 LEU 113 HD22 LEU 113 4.746 4.750 -2.988 876 H LEU 114 HN LEU 114 4.392 1.346 0.615 877 HA LEU 114 HA LEU 114 7.089 0.507 1.569 878 1HB LEU 114 HB2 LEU 114 4.404 -0.906 1.609 879 2HB LEU 114 HB1 LEU 114 5.916 -1.637 2.152 880 HG LEU 114 HG LEU 114 4.975 1.009 3.256 881 1HD1 LEU 114 HD11 LEU 114 4.164 -1.788 4.047 882 2HD1 LEU 114 HD13 LEU 114 4.171 -0.470 5.219 883 3HD1 LEU 114 HD12 LEU 114 3.135 -0.379 3.795 884 1HD2 LEU 114 HD21 LEU 114 6.778 -1.202 4.294 885 2HD2 LEU 114 HD23 LEU 114 7.314 0.350 3.650 886 3HD2 LEU 114 HD22 LEU 114 6.400 0.289 5.157 887 H VAL 115 HN VAL 115 8.360 0.081 -0.191 888 HA VAL 115 HA VAL 115 7.163 -1.547 -2.395 889 HB VAL 115 HB VAL 115 7.927 0.691 -3.109 890 1HG1 VAL 115 HG13 VAL 115 9.664 0.994 -1.369 891 2HG1 VAL 115 HG12 VAL 115 10.654 -0.236 -2.155 892 3HG1 VAL 115 HG11 VAL 115 10.308 1.282 -2.985 893 1HG2 VAL 115 HG22 VAL 115 9.635 -1.631 -4.053 894 2HG2 VAL 115 HG21 VAL 115 8.107 -1.086 -4.748 895 3HG2 VAL 115 HG23 VAL 115 9.547 -0.075 -4.879 896 H THR 116 HN THR 116 8.191 -3.454 -2.968 897 HA THR 116 HA THR 116 10.500 -4.266 -1.251 898 HB THR 116 HB THR 116 8.587 -6.083 -2.741 899 HG1 THR 116 HG1 THR 116 7.973 -4.581 -0.769 900 1HG2 THR 116 HG22 THR 116 10.932 -6.848 -1.981 901 2HG2 THR 116 HG21 THR 116 10.299 -6.714 -0.340 902 3HG2 THR 116 HG23 THR 116 9.557 -7.833 -1.484 903 H ARG 117 HN ARG 117 12.270 -3.720 -2.506 904 HA ARG 117 HA ARG 117 12.275 -4.238 -5.400 905 1HB ARG 117 HB2 ARG 117 14.462 -3.260 -3.536 906 2HB ARG 117 HB1 ARG 117 14.580 -3.321 -5.296 907 1HG ARG 117 HG2 ARG 117 12.579 -1.823 -5.433 908 2HG ARG 117 HG1 ARG 117 12.609 -1.683 -3.675 909 1HD ARG 117 HD2 ARG 117 13.777 0.226 -4.637 910 2HD ARG 117 HD1 ARG 117 14.949 -0.816 -3.830 911 HE ARG 117 HE ARG 117 14.731 -1.558 -6.597 912 1HH1 ARG 117 HH11 ARG 117 15.984 0.902 -4.488 913 2HH1 ARG 117 HH12 ARG 117 17.260 1.348 -5.572 914 1HH2 ARG 117 HH21 ARG 117 16.391 -0.971 -7.993 915 2HH2 ARG 117 HH22 ARG 117 17.490 0.291 -7.546 916 H LEU 118 HN LEU 118 13.492 -5.846 -6.430 917 HA LEU 118 HA LEU 118 14.689 -7.917 -4.629 918 1HB LEU 118 HB2 LEU 118 12.751 -8.117 -6.843 919 2HB LEU 118 HB1 LEU 118 14.088 -9.259 -6.962 920 HG LEU 118 HG LEU 118 13.643 -9.898 -4.558 921 1HD1 LEU 118 HD12 LEU 118 11.131 -8.265 -5.044 922 2HD1 LEU 118 HD11 LEU 118 11.432 -9.283 -3.637 923 3HD1 LEU 118 HD13 LEU 118 12.423 -7.852 -3.917 924 1HD2 LEU 118 HD23 LEU 118 11.384 -10.267 -6.555 925 2HD2 LEU 118 HD22 LEU 118 12.824 -11.278 -6.419 926 3HD2 LEU 118 HD21 LEU 118 11.636 -11.255 -5.115 927 H ALA 119 HN ALA 119 16.763 -8.549 -5.113 928 HA ALA 119 HA ALA 119 18.327 -6.968 -6.949 929 1HB ALA 119 HB2 ALA 119 19.271 -8.004 -4.898 930 2HB ALA 119 HB1 ALA 119 19.028 -9.599 -5.609 931 3HB ALA 119 HB3 ALA 119 20.170 -8.472 -6.341 932 H GLY 120 HN GLY 120 16.853 -10.178 -7.111 933 1HA GLY 120 HA2 GLY 120 18.127 -10.948 -9.593 934 2HA GLY 120 HA1 GLY 120 16.700 -11.712 -8.888 935 H SER 121 HN SER 121 17.627 -10.256 -11.612 936 HA SER 121 HA SER 121 15.417 -8.382 -12.013 937 1HB SER 121 HB2 SER 121 16.254 -8.324 -14.361 938 2HB SER 121 HB1 SER 121 17.530 -8.019 -13.186 939 HG SER 121 HG SER 121 18.483 -9.611 -14.183 940 H PHE 122 HN PHE 122 13.526 -8.777 -13.183 941 HA PHE 122 HA PHE 122 13.115 -11.447 -14.393 942 1HB PHE 122 HB2 PHE 122 11.368 -10.340 -12.173 943 2HB PHE 122 HB1 PHE 122 11.002 -11.777 -13.128 944 HD1 PHE 122 HD1 PHE 122 12.501 -13.777 -13.004 945 HD2 PHE 122 HD2 PHE 122 12.984 -10.394 -10.402 946 HE1 PHE 122 HE1 PHE 122 13.910 -15.144 -11.488 947 HE2 PHE 122 HE2 PHE 122 14.392 -11.761 -8.886 948 HZ PHE 122 HZ PHE 122 14.856 -14.136 -9.429 949 H GLU 123 HN GLU 123 12.430 -10.874 -16.396 950 HA GLU 123 HA GLU 123 11.000 -8.369 -16.875 951 1HB GLU 123 HB2 GLU 123 11.638 -10.692 -18.721 952 2HB GLU 123 HB1 GLU 123 10.966 -9.145 -19.237 953 1HG GLU 123 HG2 GLU 123 12.983 -8.037 -18.159 954 2HG GLU 123 HG1 GLU 123 13.673 -9.650 -17.983 955 H GLY 124 HN GLY 124 8.824 -8.197 -17.599 956 1HA GLY 124 HA2 GLY 124 7.143 -10.635 -17.569 957 2HA GLY 124 HA1 GLY 124 6.759 -9.390 -16.380 958 H ASP 125 HN ASP 125 4.985 -8.315 -17.098 959 HA ASP 125 HA ASP 125 5.075 -7.145 -19.827 960 1HB ASP 125 HB2 ASP 125 2.971 -8.997 -18.739 961 2HB ASP 125 HB1 ASP 125 2.517 -7.741 -19.891 962 H THR 126 HN THR 126 3.828 -7.165 -16.551 963 HA THR 126 HA THR 126 2.523 -4.527 -16.974 964 HB THR 126 HB THR 126 2.566 -6.028 -14.364 965 HG1 THR 126 HG1 THR 126 0.705 -7.114 -15.115 966 1HG2 THR 126 HG22 THR 126 1.630 -3.726 -14.499 967 2HG2 THR 126 HG21 THR 126 0.489 -4.288 -15.720 968 3HG2 THR 126 HG23 THR 126 0.406 -4.924 -14.077 969 H LYS 127 HN LYS 127 3.211 -2.676 -15.840 970 HA LYS 127 HA LYS 127 5.787 -2.944 -14.341 971 1HB LYS 127 HB2 LYS 127 4.998 -0.838 -16.375 972 2HB LYS 127 HB1 LYS 127 6.407 -0.709 -15.322 973 1HG LYS 127 HG2 LYS 127 7.173 -2.944 -16.237 974 2HG LYS 127 HG1 LYS 127 5.880 -2.818 -17.429 975 1HD LYS 127 HD2 LYS 127 7.845 -0.564 -17.060 976 2HD LYS 127 HD1 LYS 127 8.244 -1.946 -18.083 977 1HE LYS 127 HE2 LYS 127 7.256 -0.425 -19.589 978 2HE LYS 127 HE1 LYS 127 5.933 -1.521 -19.190 979 1HZ LYS 127 HZ2 LYS 127 6.348 0.872 -17.541 980 2HZ LYS 127 HZ1 LYS 127 5.607 1.044 -19.060 981 3HZ LYS 127 HZ3 LYS 127 4.911 0.035 -17.888 982 H MET 128 HN MET 128 6.174 -0.869 -12.999 983 HA MET 128 HA MET 128 3.660 -0.273 -11.550 984 1HB MET 128 HB2 MET 128 5.804 -0.984 -10.372 985 2HB MET 128 HB1 MET 128 6.468 0.588 -10.816 986 1HG MET 128 HG2 MET 128 5.559 0.814 -8.600 987 2HG MET 128 HG1 MET 128 4.457 1.645 -9.698 988 1HE MET 128 HE2 MET 128 3.154 1.633 -7.619 989 2HE MET 128 HE1 MET 128 1.872 1.367 -8.798 990 3HE MET 128 HE3 MET 128 1.896 0.445 -7.289 991 H ILE 129 HN ILE 129 3.008 1.912 -11.118 992 HA ILE 129 HA ILE 129 3.439 3.736 -13.329 993 HB ILE 129 HB ILE 129 2.036 5.295 -11.956 994 1HG1 ILE 129 HG12 ILE 129 1.943 2.994 -9.984 995 2HG1 ILE 129 HG11 ILE 129 2.946 4.426 -9.754 996 1HG2 ILE 129 HG23 ILE 129 1.214 3.244 -13.400 997 2HG2 ILE 129 HG22 ILE 129 0.744 2.588 -11.831 998 3HG2 ILE 129 HG21 ILE 129 0.070 4.121 -12.384 999 1HD1 ILE 129 HD13 ILE 129 0.870 5.830 -9.978 1000 2HD1 ILE 129 HD12 ILE 129 -0.073 4.341 -9.995 1001 3HD1 ILE 129 HD11 ILE 129 0.865 4.775 -8.565 1002 HA PRO 130 HA PRO 130 6.769 6.196 -11.701 1003 1HB PRO 130 HB2 PRO 130 5.976 8.697 -12.681 1004 2HB PRO 130 HB1 PRO 130 6.895 7.477 -13.572 1005 1HG PRO 130 HG2 PRO 130 4.213 8.360 -14.039 1006 2HG PRO 130 HG1 PRO 130 5.144 7.157 -14.941 1007 1HD PRO 130 HD2 PRO 130 3.029 6.744 -12.966 1008 2HD PRO 130 HD1 PRO 130 3.733 5.589 -14.110 1009 H LEU 131 HN LEU 131 6.375 6.175 -9.432 1010 HA LEU 131 HA LEU 131 4.437 8.013 -8.236 1011 1HB LEU 131 HB2 LEU 131 6.571 6.212 -7.059 1012 2HB LEU 131 HB1 LEU 131 5.499 7.213 -6.080 1013 HG LEU 131 HG LEU 131 4.451 5.254 -8.129 1014 1HD1 LEU 131 HD12 LEU 131 5.249 4.840 -5.254 1015 2HD1 LEU 131 HD11 LEU 131 3.950 3.887 -5.970 1016 3HD1 LEU 131 HD13 LEU 131 5.576 3.812 -6.648 1017 1HD2 LEU 131 HD22 LEU 131 3.249 6.657 -5.721 1018 2HD2 LEU 131 HD21 LEU 131 2.888 6.989 -7.415 1019 3HD2 LEU 131 HD23 LEU 131 2.409 5.451 -6.697 1020 H ASN 132 HN ASN 132 4.929 9.934 -7.134 1021 HA ASN 132 HA ASN 132 7.439 11.238 -7.938 1022 1HB ASN 132 HB2 ASN 132 5.097 12.329 -7.866 1023 2HB ASN 132 HB1 ASN 132 5.336 12.413 -6.120 1024 1HD2 ASN 132 HD22 ASN 132 6.975 15.497 -6.653 1025 2HD2 ASN 132 HD21 ASN 132 5.683 14.684 -5.912 1026 H TRP 133 HN TRP 133 8.941 9.962 -6.678 1027 HA TRP 133 HA TRP 133 8.718 9.740 -3.800 1028 1HB TRP 133 HB2 TRP 133 11.160 9.473 -5.582 1029 2HB TRP 133 HB1 TRP 133 11.041 8.931 -3.907 1030 HD1 TRP 133 HD1 TRP 133 9.764 8.140 -7.418 1031 HE1 TRP 133 HE1 TRP 133 8.767 5.762 -7.423 1032 HE3 TRP 133 HE3 TRP 133 9.955 7.093 -2.423 1033 HZ2 TRP 133 HZ2 TRP 133 8.135 3.690 -5.555 1034 HZ3 TRP 133 HZ3 TRP 133 9.151 4.913 -1.564 1035 HH2 TRP 133 HH2 TRP 133 8.242 3.211 -3.122 1036 H ASP 134 HN ASP 134 9.443 12.364 -5.791 1037 HA ASP 134 HA ASP 134 11.532 13.674 -4.346 1038 1HB ASP 134 HB2 ASP 134 9.430 14.480 -6.290 1039 2HB ASP 134 HB1 ASP 134 10.108 15.768 -5.294 1040 H ASP 135 HN ASP 135 8.061 13.441 -3.803 1041 HA ASP 135 HA ASP 135 8.258 15.334 -1.517 1042 1HB ASP 135 HB2 ASP 135 5.761 15.089 -1.459 1043 2HB ASP 135 HB1 ASP 135 6.364 15.705 -2.997 1044 H PHE 136 HN PHE 136 9.495 12.667 -1.439 1045 HA PHE 136 HA PHE 136 8.051 11.634 0.952 1046 1HB PHE 136 HB2 PHE 136 8.823 10.109 -1.522 1047 2HB PHE 136 HB1 PHE 136 8.804 9.289 0.039 1048 HD1 PHE 136 HD1 PHE 136 6.685 9.304 1.419 1049 HD2 PHE 136 HD2 PHE 136 6.800 10.645 -2.660 1050 HE1 PHE 136 HE1 PHE 136 4.218 9.091 1.279 1051 HE2 PHE 136 HE2 PHE 136 4.334 10.432 -2.800 1052 HZ PHE 136 HZ PHE 136 3.043 9.655 -0.831 1053 H THR 137 HN THR 137 9.541 10.056 2.170 1054 HA THR 137 HA THR 137 12.425 10.504 1.708 1055 HB THR 137 HB THR 137 11.291 11.130 4.432 1056 HG1 THR 137 HG1 THR 137 11.003 13.176 3.851 1057 1HG2 THR 137 HG21 THR 137 13.705 10.649 4.206 1058 2HG2 THR 137 HG23 THR 137 13.840 11.925 2.996 1059 3HG2 THR 137 HG22 THR 137 13.425 12.329 4.662 1060 H LYS 138 HN LYS 138 13.706 8.889 2.694 1061 HA LYS 138 HA LYS 138 12.228 6.470 3.490 1062 1HB LYS 138 HB2 LYS 138 14.296 6.556 1.942 1063 2HB LYS 138 HB1 LYS 138 15.231 6.773 3.421 1064 1HG LYS 138 HG2 LYS 138 14.042 4.695 4.317 1065 2HG LYS 138 HG1 LYS 138 13.477 4.428 2.667 1066 1HD LYS 138 HD2 LYS 138 16.403 4.841 3.299 1067 2HD LYS 138 HD1 LYS 138 15.656 3.243 3.342 1068 1HE LYS 138 HE2 LYS 138 16.448 3.367 1.139 1069 2HE LYS 138 HE1 LYS 138 14.765 3.866 0.967 1070 1HZ LYS 138 HZ3 LYS 138 16.491 6.051 1.614 1071 2HZ LYS 138 HZ2 LYS 138 16.950 5.285 0.168 1072 3HZ LYS 138 HZ1 LYS 138 15.375 5.895 0.346 1073 H VAL 139 HN VAL 139 11.683 6.202 5.591 1074 HA VAL 139 HA VAL 139 13.272 7.569 7.693 1075 HB VAL 139 HB VAL 139 11.380 6.868 9.183 1076 1HG1 VAL 139 HG12 VAL 139 10.819 8.431 6.656 1077 2HG1 VAL 139 HG11 VAL 139 9.645 8.313 7.967 1078 3HG1 VAL 139 HG13 VAL 139 11.217 9.058 8.255 1079 1HG2 VAL 139 HG23 VAL 139 10.336 5.759 6.561 1080 2HG2 VAL 139 HG22 VAL 139 10.639 4.865 8.052 1081 3HG2 VAL 139 HG21 VAL 139 9.318 6.031 7.975 1082 H SER 140 HN SER 140 12.306 4.344 6.614 1083 HA SER 140 HA SER 140 14.517 3.192 8.201 1084 1HB SER 140 HB2 SER 140 12.373 3.155 9.603 1085 2HB SER 140 HB1 SER 140 11.738 2.015 8.419 1086 HG SER 140 HG SER 140 14.198 1.702 9.805 1087 H SER 141 HN SER 141 14.624 0.726 7.663 1088 HA SER 141 HA SER 141 13.416 -0.148 5.170 1089 1HB SER 141 HB2 SER 141 15.118 1.423 4.291 1090 2HB SER 141 HB1 SER 141 16.370 0.546 5.165 1091 HG SER 141 HG SER 141 15.648 0.044 2.783 1092 H ARG 142 HN ARG 142 13.230 -2.313 5.428 1093 HA ARG 142 HA ARG 142 15.103 -3.688 7.290 1094 1HB ARG 142 HB2 ARG 142 12.540 -3.814 7.533 1095 2HB ARG 142 HB1 ARG 142 12.579 -4.855 6.109 1096 1HG ARG 142 HG2 ARG 142 12.705 -6.375 7.910 1097 2HG ARG 142 HG1 ARG 142 14.383 -6.199 7.397 1098 1HD ARG 142 HD2 ARG 142 14.453 -5.969 9.758 1099 2HD ARG 142 HD1 ARG 142 14.540 -4.316 9.145 1100 HE ARG 142 HE ARG 142 11.797 -5.030 9.593 1101 1HH1 ARG 142 HH21 ARG 142 14.743 -4.261 11.263 1102 2HH1 ARG 142 HH22 ARG 142 13.929 -3.624 12.653 1103 1HH2 ARG 142 HH11 ARG 142 10.751 -4.201 11.401 1104 2HH2 ARG 142 HH12 ARG 142 11.680 -3.591 12.729 1105 H THR 143 HN THR 143 16.860 -4.393 6.139 1106 HA THR 143 HA THR 143 16.545 -5.406 3.390 1107 HB THR 143 HB THR 143 19.070 -5.489 5.048 1108 HG1 THR 143 HG1 THR 143 18.737 -3.404 5.176 1109 1HG2 THR 143 HG23 THR 143 18.413 -5.349 2.099 1110 2HG2 THR 143 HG22 THR 143 20.036 -5.069 2.731 1111 3HG2 THR 143 HG21 THR 143 19.260 -6.636 2.956 1112 H VAL 144 HN VAL 144 17.102 -7.579 2.784 1113 HA VAL 144 HA VAL 144 17.582 -9.570 4.890 1114 HB VAL 144 HB VAL 144 15.131 -9.291 4.977 1115 1HG1 VAL 144 HG13 VAL 144 14.898 -8.498 2.609 1116 2HG1 VAL 144 HG12 VAL 144 15.156 -10.157 2.072 1117 3HG1 VAL 144 HG11 VAL 144 13.740 -9.755 3.043 1118 1HG2 VAL 144 HG23 VAL 144 16.344 -11.589 5.119 1119 2HG2 VAL 144 HG22 VAL 144 14.594 -11.585 4.904 1120 3HG2 VAL 144 HG21 VAL 144 15.651 -11.884 3.524 1121 H GLU 145 HN GLU 145 18.787 -11.223 4.052 1122 HA GLU 145 HA GLU 145 19.003 -11.379 1.071 1123 1HB GLU 145 HB2 GLU 145 21.061 -10.692 2.424 1124 2HB GLU 145 HB1 GLU 145 21.067 -12.335 3.069 1125 1HG GLU 145 HG2 GLU 145 21.271 -13.262 0.823 1126 2HG GLU 145 HG1 GLU 145 21.140 -11.650 0.115 1127 H ASP 146 HN ASP 146 18.190 -13.213 0.199 1128 HA ASP 146 HA ASP 146 17.410 -15.450 1.933 1129 1HB ASP 146 HB2 ASP 146 16.297 -14.423 -0.311 1130 2HB ASP 146 HB1 ASP 146 17.256 -15.720 -1.025 1131 H THR 147 HN THR 147 17.869 -17.711 0.574 1132 HA THR 147 HA THR 147 20.641 -18.264 1.017 1133 HB THR 147 HB THR 147 20.127 -20.419 -0.199 1134 HG1 THR 147 HG1 THR 147 18.451 -19.219 -1.480 1135 1HG2 THR 147 HG23 THR 147 19.685 -19.981 2.266 1136 2HG2 THR 147 HG22 THR 147 18.006 -19.674 1.823 1137 3HG2 THR 147 HG21 THR 147 18.716 -21.264 1.541 1138 H ASN 148 HN ASN 148 18.790 -17.582 -1.939 1139 HA ASN 148 HA ASN 148 21.255 -17.753 -3.569 1140 1HB ASN 148 HB2 ASN 148 18.643 -18.376 -4.125 1141 2HB ASN 148 HB1 ASN 148 18.766 -16.763 -4.827 1142 1HD2 ASN 148 HD22 ASN 148 20.214 -18.218 -7.693 1143 2HD2 ASN 148 HD21 ASN 148 19.000 -17.220 -7.050 1144 HA PRO 149 HA PRO 149 21.939 -13.353 -3.530 1145 1HB PRO 149 HB2 PRO 149 23.193 -13.169 -6.039 1146 2HB PRO 149 HB1 PRO 149 23.984 -13.516 -4.497 1147 1HG PRO 149 HG2 PRO 149 23.616 -15.270 -6.722 1148 2HG PRO 149 HG1 PRO 149 24.406 -15.612 -5.178 1149 1HD PRO 149 HD2 PRO 149 21.752 -16.405 -6.098 1150 2HD PRO 149 HD1 PRO 149 22.679 -16.997 -4.710 1151 H ALA 150 HN ALA 150 20.255 -14.846 -6.198 1152 HA ALA 150 HA ALA 150 19.399 -12.293 -7.370 1153 1HB ALA 150 HB2 ALA 150 19.742 -14.358 -8.750 1154 2HB ALA 150 HB1 ALA 150 18.373 -15.095 -7.917 1155 3HB ALA 150 HB3 ALA 150 18.129 -13.669 -8.927 1156 H LEU 151 HN LEU 151 18.273 -14.539 -4.969 1157 HA LEU 151 HA LEU 151 15.517 -13.484 -5.018 1158 1HB LEU 151 HB2 LEU 151 16.940 -15.559 -3.341 1159 2HB LEU 151 HB1 LEU 151 15.300 -15.021 -2.975 1160 HG LEU 151 HG LEU 151 16.029 -15.944 -5.749 1161 1HD1 LEU 151 HD13 LEU 151 16.666 -17.713 -4.075 1162 2HD1 LEU 151 HD12 LEU 151 14.994 -17.712 -3.514 1163 3HD1 LEU 151 HD11 LEU 151 15.369 -18.203 -5.165 1164 1HD2 LEU 151 HD22 LEU 151 13.504 -15.670 -4.106 1165 2HD2 LEU 151 HD21 LEU 151 13.903 -14.871 -5.625 1166 3HD2 LEU 151 HD23 LEU 151 13.547 -16.598 -5.604 1167 H THR 152 HN THR 152 18.041 -11.880 -4.251 1168 HA THR 152 HA THR 152 17.590 -11.239 -1.424 1169 HB THR 152 HB THR 152 19.253 -9.687 -3.421 1170 HG1 THR 152 HG1 THR 152 19.543 -12.202 -2.572 1171 1HG2 THR 152 HG22 THR 152 19.163 -9.943 -0.416 1172 2HG2 THR 152 HG21 THR 152 20.588 -9.323 -1.250 1173 3HG2 THR 152 HG23 THR 152 19.046 -8.479 -1.393 1174 H HIS 153 HN HIS 153 16.600 -9.345 -0.651 1175 HA HIS 153 HA HIS 153 15.616 -7.305 -2.508 1176 1HB HIS 153 HB2 HIS 153 13.221 -7.642 -1.831 1177 2HB HIS 153 HB1 HIS 153 13.864 -8.958 -2.812 1178 HD1 HIS 153 HD1 HIS 153 14.865 -11.047 -1.300 1179 HD2 HIS 153 HD2 HIS 153 12.114 -8.516 0.544 1180 HE1 HIS 153 HE1 HIS 153 13.977 -12.300 0.714 1181 H THR 154 HN THR 154 14.500 -5.538 -1.299 1182 HA THR 154 HA THR 154 15.094 -5.553 1.625 1183 HB THR 154 HB THR 154 15.702 -3.220 -0.212 1184 HG1 THR 154 HG1 THR 154 17.033 -5.455 0.065 1185 1HG2 THR 154 HG22 THR 154 15.186 -3.086 2.396 1186 2HG2 THR 154 HG21 THR 154 16.865 -3.612 2.510 1187 3HG2 THR 154 HG23 THR 154 16.465 -2.116 1.666 1188 H TYR 155 HN TYR 155 13.503 -4.574 2.842 1189 HA TYR 155 HA TYR 155 11.077 -3.692 1.406 1190 1HB TYR 155 HB2 TYR 155 11.653 -4.171 4.344 1191 2HB TYR 155 HB1 TYR 155 10.089 -3.648 3.719 1192 HD1 TYR 155 HD1 TYR 155 8.918 -5.109 1.985 1193 HD2 TYR 155 HD2 TYR 155 12.290 -6.452 4.283 1194 HE1 TYR 155 HE1 TYR 155 8.341 -7.463 1.455 1195 HE2 TYR 155 HE2 TYR 155 11.713 -8.806 3.753 1196 HH TYR 155 HH TYR 155 10.179 -10.164 2.857 1197 H GLU 156 HN GLU 156 11.472 -1.608 0.658 1198 HA GLU 156 HA GLU 156 12.734 0.409 2.363 1199 1HB GLU 156 HB2 GLU 156 11.537 0.386 -0.397 1200 2HB GLU 156 HB1 GLU 156 11.885 1.920 0.400 1201 1HG GLU 156 HG2 GLU 156 13.850 1.386 -0.845 1202 2HG GLU 156 HG1 GLU 156 14.232 1.002 0.834 1203 H VAL 157 HN VAL 157 11.682 1.880 3.641 1204 HA VAL 157 HA VAL 157 8.695 1.965 3.470 1205 HB VAL 157 HB VAL 157 10.368 2.224 5.987 1206 1HG1 VAL 157 HG13 VAL 157 7.411 2.194 5.382 1207 2HG1 VAL 157 HG12 VAL 157 8.024 1.771 6.981 1208 3HG1 VAL 157 HG11 VAL 157 8.327 3.376 6.316 1209 1HG2 VAL 157 HG22 VAL 157 8.993 -0.113 4.679 1210 2HG2 VAL 157 HG21 VAL 157 10.578 -0.049 5.449 1211 3HG2 VAL 157 HG23 VAL 157 9.118 -0.040 6.437 1212 H TRP 158 HN TRP 158 8.486 3.908 2.371 1213 HA TRP 158 HA TRP 158 10.016 6.262 3.345 1214 1HB TRP 158 HB2 TRP 158 8.226 5.896 0.923 1215 2HB TRP 158 HB1 TRP 158 9.092 7.380 1.318 1216 HD1 TRP 158 HD1 TRP 158 9.985 3.631 0.888 1217 HE1 TRP 158 HE1 TRP 158 12.254 3.489 -0.329 1218 HE3 TRP 158 HE3 TRP 158 11.040 8.605 0.402 1219 HZ2 TRP 158 HZ2 TRP 158 14.252 5.252 -1.371 1220 HZ3 TRP 158 HZ3 TRP 158 13.129 9.344 -0.706 1221 HH2 TRP 158 HH2 TRP 158 14.735 7.676 -1.593 1222 H GLN 159 HN GLN 159 8.747 8.327 3.598 1223 HA GLN 159 HA GLN 159 5.916 7.895 4.403 1224 1HB GLN 159 HB2 GLN 159 8.143 8.973 6.138 1225 2HB GLN 159 HB1 GLN 159 6.452 9.366 6.451 1226 1HG GLN 159 HG2 GLN 159 7.306 6.502 6.081 1227 2HG GLN 159 HG1 GLN 159 7.481 7.293 7.648 1228 1HE2 GLN 159 HE22 GLN 159 3.929 5.810 6.772 1229 2HE2 GLN 159 HE21 GLN 159 5.404 5.292 6.112 1230 H LYS 160 HN LYS 160 4.626 9.751 4.153 1231 HA LYS 160 HA LYS 160 5.534 11.714 2.256 1232 1HB LYS 160 HB2 LYS 160 3.117 10.910 2.745 1233 2HB LYS 160 HB1 LYS 160 3.144 12.084 4.061 1234 1HG LYS 160 HG2 LYS 160 3.815 13.841 2.395 1235 2HG LYS 160 HG1 LYS 160 3.575 12.650 1.116 1236 1HD LYS 160 HD2 LYS 160 1.516 13.812 1.210 1237 2HD LYS 160 HD1 LYS 160 1.216 12.329 2.117 1238 1HE LYS 160 HE2 LYS 160 1.825 13.611 4.217 1239 2HE LYS 160 HE1 LYS 160 1.819 15.078 3.237 1240 1HZ LYS 160 HZ1 LYS 160 -0.492 13.245 3.226 1241 2HZ LYS 160 HZ3 LYS 160 -0.320 14.411 4.446 1242 3HZ LYS 160 HZ2 LYS 160 -0.436 14.894 2.821 1243 H LYS 161 HN LYS 161 6.931 13.325 2.744 1244 HA LYS 161 HA LYS 161 6.456 14.986 5.133 1245 1HB LYS 161 HB2 LYS 161 8.045 13.040 5.740 1246 2HB LYS 161 HB1 LYS 161 9.221 13.852 4.707 1247 1HG LYS 161 HG2 LYS 161 9.644 14.702 6.884 1248 2HG LYS 161 HG1 LYS 161 8.716 15.968 6.078 1249 1HD LYS 161 HD2 LYS 161 6.756 15.468 7.262 1250 2HD LYS 161 HD1 LYS 161 7.299 13.838 7.661 1251 1HE LYS 161 HE2 LYS 161 9.105 14.874 9.084 1252 2HE LYS 161 HE1 LYS 161 8.346 16.441 8.806 1253 1HZ LYS 161 HZ3 LYS 161 6.243 15.026 9.570 1254 2HZ LYS 161 HZ2 LYS 161 7.453 14.206 10.436 1255 3HZ LYS 161 HZ1 LYS 161 7.228 15.875 10.660 1256 H ALA 162 HN ALA 162 7.486 17.058 4.954 1257 HA ALA 162 HA ALA 162 7.921 17.921 2.207 1258 1HB ALA 162 HB3 ALA 162 8.275 19.405 4.830 1259 2HB ALA 162 HB2 ALA 162 8.296 20.147 3.231 1260 3HB ALA 162 HB1 ALA 162 6.818 19.398 3.837 1261 1H9 TMQ 170 H91 TMQ 170 0.016 -9.839 -6.461 1262 2H9 TMQ 170 H92 TMQ 170 -0.914 -10.569 -5.145 1263 HN1 TMQ 170 H1N TMQ 170 0.753 -11.932 -6.994 1264 1H17 TMQ 170 HM1 TMQ 170 -0.539 -7.091 -4.294 1265 2H17 TMQ 170 HM2 TMQ 170 -1.214 -8.156 -3.052 1266 3H17 TMQ 170 HM3 TMQ 170 -1.212 -8.656 -4.743 1267 1H21 TMQ 170 HW11 TMQ 170 -2.330 -12.324 -2.235 1268 2H21 TMQ 170 HW12 TMQ 170 -0.728 -12.252 -1.485 1269 3H21 TMQ 170 HW13 TMQ 170 -2.099 -12.915 -0.582 1270 1H22 TMQ 170 HI1 TMQ 170 1.273 -17.258 -1.312 1271 2H22 TMQ 170 HI2 TMQ 170 1.379 -15.492 -1.392 1272 3H22 TMQ 170 HI3 TMQ 170 2.197 -16.484 -2.610 1273 1H23 TMQ 170 HW21 TMQ 170 1.272 -16.359 -7.052 1274 2H23 TMQ 170 HW22 TMQ 170 2.544 -17.521 -6.643 1275 3H23 TMQ 170 HW23 TMQ 170 2.899 -15.786 -6.655 1276 1HN2 TMQ 170 HN21 TMQ 170 5.561 -7.518 -0.144 1277 2HN2 TMQ 170 HN22 TMQ 170 4.550 -6.225 0.410 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.349 -6.479 -2.418 1279 2HN5 TMQ 170 HN42 TMQ 170 0.407 -5.531 -1.213 1280 HN TMQ 170 H1 TMQ 170 4.798 -8.947 -1.758 1281 H7 TMQ 170 H7 TMQ 170 2.547 -11.406 -5.039 1282 H8 TMQ 170 H8 TMQ 170 4.212 -10.570 -3.443 1283 H12 TMQ 170 HP2 TMQ 170 -1.033 -12.048 -3.840 1284 H16 TMQ 170 HP6 TMQ 170 1.730 -14.085 -6.463 No H/Q in entry = 1284 Start of MODEL 5 1 1H THR 1 HT1 THR 1 -3.070 5.869 5.356 2 2H THR 1 HT3 THR 1 -3.672 7.022 4.267 3 3H THR 1 HT2 THR 1 -4.741 5.973 5.068 4 HA THR 1 HA THR 1 -4.340 4.247 3.699 5 HB THR 1 HB THR 1 -3.188 6.349 1.866 6 HG1 THR 1 HG1 THR 1 -5.117 6.950 3.275 7 1HG2 THR 1 HG23 THR 1 -3.478 4.045 1.020 8 2HG2 THR 1 HG22 THR 1 -5.181 4.098 1.474 9 3HG2 THR 1 HG21 THR 1 -4.571 5.167 0.210 10 H ALA 2 HN ALA 2 -2.821 2.776 2.819 11 HA ALA 2 HA ALA 2 0.049 3.557 2.951 12 1HB ALA 2 HB3 ALA 2 -1.163 1.106 4.267 13 2HB ALA 2 HB2 ALA 2 0.566 1.422 4.121 14 3HB ALA 2 HB1 ALA 2 -0.445 2.485 5.100 15 H PHE 3 HN PHE 3 1.173 2.770 1.223 16 HA PHE 3 HA PHE 3 -0.262 0.949 -0.635 17 1HB PHE 3 HB2 PHE 3 2.045 2.864 -0.913 18 2HB PHE 3 HB1 PHE 3 1.805 1.588 -2.107 19 HD1 PHE 3 HD1 PHE 3 -0.470 3.893 -0.193 20 HD2 PHE 3 HD2 PHE 3 0.725 2.341 -4.016 21 HE1 PHE 3 HE1 PHE 3 -2.235 5.244 -1.294 22 HE2 PHE 3 HE2 PHE 3 -1.039 3.693 -5.116 23 HZ PHE 3 HZ PHE 3 -2.518 5.144 -3.755 24 H LEU 4 HN LEU 4 1.044 -0.805 -1.665 25 HA LEU 4 HA LEU 4 3.514 -1.714 -0.484 26 1HB LEU 4 HB2 LEU 4 1.922 -2.198 1.392 27 2HB LEU 4 HB1 LEU 4 1.022 -3.256 0.304 28 HG LEU 4 HG LEU 4 3.363 -4.377 -0.097 29 1HD1 LEU 4 HD12 LEU 4 3.751 -2.699 2.358 30 2HD1 LEU 4 HD11 LEU 4 4.531 -4.278 2.273 31 3HD1 LEU 4 HD13 LEU 4 4.887 -3.052 1.057 32 1HD2 LEU 4 HD22 LEU 4 1.601 -4.662 2.342 33 2HD2 LEU 4 HD21 LEU 4 1.625 -5.660 0.888 34 3HD2 LEU 4 HD23 LEU 4 2.952 -5.757 2.046 35 H TRP 5 HN TRP 5 4.319 -2.389 -2.432 36 HA TRP 5 HA TRP 5 2.840 -4.546 -3.838 37 1HB TRP 5 HB2 TRP 5 3.234 -3.483 -6.025 38 2HB TRP 5 HB1 TRP 5 2.253 -2.443 -4.996 39 HD1 TRP 5 HD1 TRP 5 5.294 -2.429 -7.062 40 HE1 TRP 5 HE1 TRP 5 6.668 -0.285 -6.669 41 HE3 TRP 5 HE3 TRP 5 2.995 -0.661 -2.854 42 HZ2 TRP 5 HZ2 TRP 5 6.781 1.889 -4.819 43 HZ3 TRP 5 HZ3 TRP 5 3.761 1.445 -1.799 44 HH2 TRP 5 HH2 TRP 5 5.647 2.723 -2.775 45 H ALA 6 HN ALA 6 4.210 -6.002 -4.952 46 HA ALA 6 HA ALA 6 7.068 -5.825 -4.154 47 1HB ALA 6 HB1 ALA 6 5.392 -8.100 -5.255 48 2HB ALA 6 HB3 ALA 6 7.120 -8.225 -4.926 49 3HB ALA 6 HB2 ALA 6 5.991 -7.925 -3.605 50 H GLN 7 HN GLN 7 8.395 -4.902 -5.636 51 HA GLN 7 HA GLN 7 7.997 -5.602 -8.509 52 1HB GLN 7 HB2 GLN 7 8.596 -3.234 -9.092 53 2HB GLN 7 HB1 GLN 7 7.052 -3.376 -8.251 54 1HG GLN 7 HG2 GLN 7 7.917 -2.527 -6.245 55 2HG GLN 7 HG1 GLN 7 9.580 -2.916 -6.687 56 1HE2 GLN 7 HE22 GLN 7 10.142 0.195 -8.240 57 2HE2 GLN 7 HE21 GLN 7 10.793 -1.277 -7.700 58 H ASP 8 HN ASP 8 9.957 -5.576 -9.747 59 HA ASP 8 HA ASP 8 12.402 -5.816 -8.062 60 1HB ASP 8 HB2 ASP 8 13.349 -6.954 -10.114 61 2HB ASP 8 HB1 ASP 8 11.978 -7.791 -9.385 62 H ARG 9 HN ARG 9 14.467 -5.085 -9.265 63 HA ARG 9 HA ARG 9 14.323 -2.285 -9.771 64 1HB ARG 9 HB2 ARG 9 16.669 -2.554 -10.615 65 2HB ARG 9 HB1 ARG 9 16.403 -3.313 -9.044 66 1HG ARG 9 HG2 ARG 9 16.019 -5.491 -10.208 67 2HG ARG 9 HG1 ARG 9 16.430 -4.709 -11.735 68 1HD ARG 9 HD2 ARG 9 18.276 -4.750 -9.334 69 2HD ARG 9 HD1 ARG 9 18.355 -5.929 -10.643 70 HE ARG 9 HE ARG 9 19.273 -3.164 -10.771 71 1HH1 ARG 9 HH11 ARG 9 18.056 -5.879 -12.565 72 2HH1 ARG 9 HH12 ARG 9 18.767 -5.362 -14.058 73 1HH2 ARG 9 HH21 ARG 9 20.190 -2.505 -12.714 74 2HH2 ARG 9 HH22 ARG 9 19.969 -3.461 -14.140 75 H ASP 10 HN ASP 10 13.677 -4.969 -11.827 76 HA ASP 10 HA ASP 10 14.262 -3.621 -14.346 77 1HB ASP 10 HB2 ASP 10 12.795 -6.148 -13.590 78 2HB ASP 10 HB1 ASP 10 12.787 -5.548 -15.250 79 H GLY 11 HN GLY 11 12.210 -2.610 -12.168 80 1HA GLY 11 HA2 GLY 11 10.243 -1.334 -12.232 81 2HA GLY 11 HA1 GLY 11 10.495 -1.212 -13.973 82 H LEU 12 HN LEU 12 10.067 -4.220 -12.157 83 HA LEU 12 HA LEU 12 7.558 -4.685 -13.721 84 1HB LEU 12 HB2 LEU 12 9.729 -6.205 -13.903 85 2HB LEU 12 HB1 LEU 12 9.072 -6.923 -12.431 86 HG LEU 12 HG LEU 12 6.835 -7.042 -13.735 87 1HD1 LEU 12 HD12 LEU 12 7.689 -5.571 -15.593 88 2HD1 LEU 12 HD11 LEU 12 8.772 -6.881 -16.062 89 3HD1 LEU 12 HD13 LEU 12 7.025 -7.107 -16.149 90 1HD2 LEU 12 HD22 LEU 12 8.571 -8.914 -13.168 91 2HD2 LEU 12 HD21 LEU 12 7.345 -9.241 -14.393 92 3HD2 LEU 12 HD23 LEU 12 8.986 -8.815 -14.879 93 H ILE 13 HN ILE 13 5.936 -6.082 -12.558 94 HA ILE 13 HA ILE 13 6.080 -5.836 -9.593 95 HB ILE 13 HB ILE 13 3.690 -5.074 -9.590 96 1HG1 ILE 13 HG12 ILE 13 4.176 -4.581 -12.544 97 2HG1 ILE 13 HG11 ILE 13 3.227 -5.932 -11.920 98 1HG2 ILE 13 HG22 ILE 13 5.824 -3.399 -10.924 99 2HG2 ILE 13 HG21 ILE 13 4.248 -2.734 -10.497 100 3HG2 ILE 13 HG23 ILE 13 5.308 -3.366 -9.238 101 1HD1 ILE 13 HD11 ILE 13 1.833 -4.192 -10.668 102 2HD1 ILE 13 HD13 ILE 13 2.641 -2.977 -11.658 103 3HD1 ILE 13 HD12 ILE 13 1.645 -4.216 -12.421 104 H GLY 14 HN GLY 14 4.747 -7.365 -12.459 105 1HA GLY 14 HA2 GLY 14 4.472 -9.904 -11.098 106 2HA GLY 14 HA1 GLY 14 2.897 -9.164 -11.394 107 H LYS 15 HN LYS 15 2.664 -11.160 -12.794 108 HA LYS 15 HA LYS 15 2.970 -10.466 -15.565 109 1HB LYS 15 HB2 LYS 15 5.344 -11.135 -14.944 110 2HB LYS 15 HB1 LYS 15 4.727 -12.763 -14.665 111 1HG LYS 15 HG2 LYS 15 3.710 -12.532 -17.054 112 2HG LYS 15 HG1 LYS 15 4.877 -11.223 -17.247 113 1HD LYS 15 HD2 LYS 15 6.712 -12.751 -16.664 114 2HD LYS 15 HD1 LYS 15 5.558 -14.063 -16.429 115 1HE LYS 15 HE2 LYS 15 4.812 -13.539 -18.866 116 2HE LYS 15 HE1 LYS 15 6.356 -12.696 -18.991 117 1HZ LYS 15 HZ1 LYS 15 6.322 -15.405 -17.874 118 2HZ LYS 15 HZ3 LYS 15 6.161 -15.226 -19.553 119 3HZ LYS 15 HZ2 LYS 15 7.536 -14.616 -18.762 120 H ASP 16 HN ASP 16 1.203 -11.392 -16.453 121 HA ASP 16 HA ASP 16 -0.565 -12.883 -16.830 122 1HB ASP 16 HB2 ASP 16 1.556 -14.812 -15.847 123 2HB ASP 16 HB1 ASP 16 0.001 -15.322 -16.505 124 H GLY 17 HN GLY 17 -0.440 -11.510 -14.269 125 1HA GLY 17 HA2 GLY 17 -1.993 -11.565 -12.452 126 2HA GLY 17 HA1 GLY 17 -2.265 -13.279 -12.767 127 H HIS 18 HN HIS 18 -0.078 -14.599 -12.455 128 HA HIS 18 HA HIS 18 0.676 -14.230 -9.666 129 1HB HIS 18 HB2 HIS 18 2.142 -16.222 -10.093 130 2HB HIS 18 HB1 HIS 18 0.456 -16.491 -10.534 131 HD1 HIS 18 HD1 HIS 18 3.810 -15.683 -12.113 132 HD2 HIS 18 HD2 HIS 18 0.039 -17.055 -13.243 133 HE1 HIS 18 HE1 HIS 18 3.998 -16.377 -14.541 134 H LEU 19 HN LEU 19 3.130 -14.369 -9.129 135 HA LEU 19 HA LEU 19 4.437 -12.117 -10.504 136 1HB LEU 19 HB2 LEU 19 5.197 -13.765 -8.076 137 2HB LEU 19 HB1 LEU 19 6.180 -12.441 -8.705 138 HG LEU 19 HG LEU 19 3.271 -11.959 -8.156 139 1HD1 LEU 19 HD13 LEU 19 5.494 -12.115 -6.105 140 2HD1 LEU 19 HD12 LEU 19 4.001 -11.218 -5.832 141 3HD1 LEU 19 HD11 LEU 19 3.947 -12.963 -6.084 142 1HD2 LEU 19 HD23 LEU 19 5.071 -10.369 -9.249 143 2HD2 LEU 19 HD22 LEU 19 3.929 -9.719 -8.073 144 3HD2 LEU 19 HD21 LEU 19 5.574 -10.117 -7.577 145 HA PRO 20 HA PRO 20 7.214 -14.628 -12.911 146 1HB PRO 20 HB2 PRO 20 9.349 -12.825 -13.038 147 2HB PRO 20 HB1 PRO 20 7.941 -12.839 -14.108 148 1HG PRO 20 HG2 PRO 20 8.648 -10.889 -12.128 149 2HG PRO 20 HG1 PRO 20 7.273 -10.880 -13.240 150 1HD PRO 20 HD2 PRO 20 7.323 -11.530 -10.396 151 2HD PRO 20 HD1 PRO 20 5.933 -11.228 -11.450 152 H TRP 21 HN TRP 21 8.329 -13.270 -9.876 153 HA TRP 21 HA TRP 21 10.522 -15.299 -9.778 154 1HB TRP 21 HB2 TRP 21 11.408 -13.900 -7.894 155 2HB TRP 21 HB1 TRP 21 11.327 -13.031 -9.426 156 HD1 TRP 21 HD1 TRP 21 9.514 -13.344 -6.062 157 HE1 TRP 21 HE1 TRP 21 8.102 -11.219 -5.689 158 HE3 TRP 21 HE3 TRP 21 10.168 -11.045 -10.575 159 HZ2 TRP 21 HZ2 TRP 21 7.350 -8.857 -7.116 160 HZ3 TRP 21 HZ3 TRP 21 9.093 -8.861 -11.041 161 HH2 TRP 21 HH2 TRP 21 7.686 -7.765 -9.319 162 H HIS 22 HN HIS 22 10.842 -16.331 -7.609 163 HA HIS 22 HA HIS 22 8.209 -16.773 -6.255 164 1HB HIS 22 HB2 HIS 22 9.293 -18.717 -7.543 165 2HB HIS 22 HB1 HIS 22 10.521 -18.722 -6.277 166 HD1 HIS 22 HD1 HIS 22 6.698 -18.528 -6.273 167 HD2 HIS 22 HD2 HIS 22 9.797 -20.540 -4.343 168 HE1 HIS 22 HE1 HIS 22 5.609 -20.063 -4.578 169 H LEU 23 HN LEU 23 8.574 -15.110 -4.693 170 HA LEU 23 HA LEU 23 10.902 -15.544 -2.871 171 1HB LEU 23 HB2 LEU 23 10.483 -13.262 -4.001 172 2HB LEU 23 HB1 LEU 23 9.113 -13.109 -2.901 173 HG LEU 23 HG LEU 23 10.669 -13.511 -0.984 174 1HD1 LEU 23 HD12 LEU 23 12.639 -13.601 -3.259 175 2HD1 LEU 23 HD11 LEU 23 13.154 -13.067 -1.659 176 3HD1 LEU 23 HD13 LEU 23 12.494 -14.688 -1.878 177 1HD2 LEU 23 HD23 LEU 23 10.149 -11.193 -2.281 178 2HD2 LEU 23 HD22 LEU 23 11.169 -11.274 -0.846 179 3HD2 LEU 23 HD21 LEU 23 11.905 -11.234 -2.448 180 HA PRO 24 HA PRO 24 7.254 -17.552 -0.709 181 1HB PRO 24 HB2 PRO 24 9.357 -18.624 1.000 182 2HB PRO 24 HB1 PRO 24 8.201 -19.489 -0.021 183 1HG PRO 24 HG2 PRO 24 10.978 -18.997 -0.510 184 2HG PRO 24 HG1 PRO 24 9.827 -19.894 -1.510 185 1HD PRO 24 HD2 PRO 24 10.996 -17.420 -2.141 186 2HD PRO 24 HD1 PRO 24 9.622 -18.171 -2.964 187 H ASP 25 HN ASP 25 10.123 -15.903 0.586 188 HA ASP 25 HA ASP 25 9.105 -15.393 3.208 189 1HB ASP 25 HB2 ASP 25 11.503 -15.035 2.166 190 2HB ASP 25 HB1 ASP 25 10.889 -13.418 1.820 191 H ASP 26 HN ASP 26 8.988 -13.440 0.222 192 HA ASP 26 HA ASP 26 7.594 -11.213 1.349 193 1HB ASP 26 HB2 ASP 26 8.727 -11.207 -0.881 194 2HB ASP 26 HB1 ASP 26 7.444 -12.246 -1.500 195 H LEU 27 HN LEU 27 6.452 -14.240 -0.112 196 HA LEU 27 HA LEU 27 3.664 -13.586 -0.136 197 1HB LEU 27 HB2 LEU 27 5.074 -16.262 0.089 198 2HB LEU 27 HB1 LEU 27 3.340 -16.076 -0.180 199 HG LEU 27 HG LEU 27 5.475 -14.895 -1.979 200 1HD1 LEU 27 HD11 LEU 27 4.086 -17.538 -1.944 201 2HD1 LEU 27 HD13 LEU 27 4.319 -16.762 -3.510 202 3HD1 LEU 27 HD12 LEU 27 5.712 -17.131 -2.494 203 1HD2 LEU 27 HD22 LEU 27 2.462 -15.024 -2.019 204 2HD2 LEU 27 HD21 LEU 27 3.508 -13.625 -2.260 205 3HD2 LEU 27 HD23 LEU 27 3.374 -14.853 -3.519 206 H HIS 28 HN HIS 28 5.835 -14.523 2.414 207 HA HIS 28 HA HIS 28 3.685 -15.289 4.264 208 1HB HIS 28 HB2 HIS 28 6.677 -14.982 4.498 209 2HB HIS 28 HB1 HIS 28 5.672 -15.207 5.930 210 HD1 HIS 28 HD1 HIS 28 3.714 -17.290 5.228 211 HD2 HIS 28 HD2 HIS 28 7.619 -17.469 3.780 212 HE1 HIS 28 HE1 HIS 28 4.137 -19.708 4.605 213 H TYR 29 HN TYR 29 5.546 -12.439 3.454 214 HA TYR 29 HA TYR 29 4.828 -10.956 5.860 215 1HB TYR 29 HB2 TYR 29 6.850 -10.526 4.338 216 2HB TYR 29 HB1 TYR 29 5.711 -9.771 3.222 217 HD1 TYR 29 HD1 TYR 29 6.256 -9.762 6.942 218 HD2 TYR 29 HD2 TYR 29 5.642 -7.456 3.371 219 HE1 TYR 29 HE1 TYR 29 6.326 -7.673 8.278 220 HE2 TYR 29 HE2 TYR 29 5.713 -5.367 4.707 221 HH TYR 29 HH TYR 29 6.975 -5.068 7.581 222 H PHE 30 HN PHE 30 3.402 -11.522 2.726 223 HA PHE 30 HA PHE 30 1.614 -9.269 2.683 224 1HB PHE 30 HB2 PHE 30 2.166 -10.747 0.712 225 2HB PHE 30 HB1 PHE 30 1.155 -11.995 1.440 226 HD1 PHE 30 HD2 PHE 30 1.060 -8.386 0.431 227 HD2 PHE 30 HD1 PHE 30 -1.142 -12.032 0.985 228 HE1 PHE 30 HE2 PHE 30 -0.957 -7.313 -0.531 229 HE2 PHE 30 HE1 PHE 30 -3.159 -10.959 0.023 230 HZ PHE 30 HZ PHE 30 -3.068 -8.600 -0.736 231 H ARG 31 HN ARG 31 1.231 -12.629 3.819 232 HA ARG 31 HA ARG 31 -1.497 -12.352 4.657 233 1HB ARG 31 HB2 ARG 31 -0.157 -14.517 4.352 234 2HB ARG 31 HB1 ARG 31 0.537 -14.185 5.940 235 1HG ARG 31 HG2 ARG 31 -1.529 -14.412 7.033 236 2HG ARG 31 HG1 ARG 31 -2.448 -14.154 5.549 237 1HD ARG 31 HD2 ARG 31 -2.616 -16.482 5.912 238 2HD ARG 31 HD1 ARG 31 -1.328 -16.335 4.716 239 HE ARG 31 HE ARG 31 -0.393 -16.350 7.496 240 1HH1 ARG 31 HH21 ARG 31 -1.172 -18.204 4.663 241 2HH1 ARG 31 HH22 ARG 31 -0.172 -19.543 5.119 242 1HH2 ARG 31 HH11 ARG 31 0.900 -18.093 8.077 243 2HH2 ARG 31 HH12 ARG 31 0.994 -19.480 7.044 244 H ALA 32 HN ALA 32 1.563 -11.526 6.159 245 HA ALA 32 HA ALA 32 0.418 -11.110 8.815 246 1HB ALA 32 HB2 ALA 32 2.880 -11.652 8.231 247 2HB ALA 32 HB1 ALA 32 3.020 -9.942 7.825 248 3HB ALA 32 HB3 ALA 32 2.589 -10.427 9.465 249 H GLN 33 HN GLN 33 0.972 -9.191 5.937 250 HA GLN 33 HA GLN 33 0.166 -6.720 7.392 251 1HB GLN 33 HB2 GLN 33 1.306 -7.130 4.611 252 2HB GLN 33 HB1 GLN 33 0.854 -5.564 5.283 253 1HG GLN 33 HG2 GLN 33 2.783 -7.396 6.710 254 2HG GLN 33 HG1 GLN 33 3.330 -6.248 5.487 255 1HE2 GLN 33 HE22 GLN 33 2.776 -4.890 9.173 256 2HE2 GLN 33 HE21 GLN 33 3.019 -6.521 8.768 257 H THR 34 HN THR 34 -1.739 -8.860 6.795 258 HA THR 34 HA THR 34 -3.631 -7.270 5.129 259 HB THR 34 HB THR 34 -4.464 -9.525 4.226 260 HG1 THR 34 HG1 THR 34 -1.898 -10.487 4.602 261 1HG2 THR 34 HG21 THR 34 -1.789 -8.327 3.502 262 2HG2 THR 34 HG23 THR 34 -2.514 -9.627 2.558 263 3HG2 THR 34 HG22 THR 34 -3.345 -8.078 2.710 264 H VAL 35 HN VAL 35 -3.093 -9.730 7.601 265 HA VAL 35 HA VAL 35 -5.925 -9.919 8.306 266 HB VAL 35 HB VAL 35 -5.055 -11.241 10.252 267 1HG1 VAL 35 HG12 VAL 35 -4.032 -11.923 7.482 268 2HG1 VAL 35 HG11 VAL 35 -4.041 -13.061 8.830 269 3HG1 VAL 35 HG13 VAL 35 -5.561 -12.423 8.204 270 1HG2 VAL 35 HG21 VAL 35 -2.398 -10.495 8.991 271 2HG2 VAL 35 HG23 VAL 35 -2.943 -10.107 10.623 272 3HG2 VAL 35 HG22 VAL 35 -2.593 -11.779 10.185 273 H GLY 36 HN GLY 36 -6.986 -8.600 9.709 274 1HA GLY 36 HA2 GLY 36 -7.137 -7.312 11.766 275 2HA GLY 36 HA1 GLY 36 -5.404 -7.000 11.660 276 H LYS 37 HN LYS 37 -5.593 -6.369 8.761 277 HA LYS 37 HA LYS 37 -6.810 -3.650 9.028 278 1HB LYS 37 HB2 LYS 37 -4.359 -4.665 7.614 279 2HB LYS 37 HB1 LYS 37 -5.167 -3.212 7.026 280 1HG LYS 37 HG2 LYS 37 -3.692 -2.273 8.550 281 2HG LYS 37 HG1 LYS 37 -5.096 -2.532 9.586 282 1HD LYS 37 HD2 LYS 37 -3.278 -3.434 10.814 283 2HD LYS 37 HD1 LYS 37 -4.073 -4.839 10.101 284 1HE LYS 37 HE2 LYS 37 -1.784 -5.195 9.639 285 2HE LYS 37 HE1 LYS 37 -2.417 -4.526 8.136 286 1HZ LYS 37 HZ2 LYS 37 -1.520 -2.563 10.059 287 2HZ LYS 37 HZ1 LYS 37 -0.288 -3.558 9.442 288 3HZ LYS 37 HZ3 LYS 37 -1.251 -2.646 8.384 289 H ILE 38 HN ILE 38 -7.611 -2.745 6.904 290 HA ILE 38 HA ILE 38 -9.315 -4.729 5.587 291 HB ILE 38 HB ILE 38 -8.968 -1.785 4.946 292 1HG1 ILE 38 HG12 ILE 38 -11.051 -3.087 6.723 293 2HG1 ILE 38 HG11 ILE 38 -9.601 -2.298 7.348 294 1HG2 ILE 38 HG22 ILE 38 -10.946 -3.923 4.193 295 2HG2 ILE 38 HG21 ILE 38 -11.448 -2.233 4.242 296 3HG2 ILE 38 HG23 ILE 38 -10.151 -2.737 3.159 297 1HD1 ILE 38 HD11 ILE 38 -11.398 -0.835 5.429 298 2HD1 ILE 38 HD13 ILE 38 -11.810 -0.909 7.143 299 3HD1 ILE 38 HD12 ILE 38 -10.289 -0.177 6.633 300 H MET 39 HN MET 39 -8.681 -5.855 3.824 301 HA MET 39 HA MET 39 -6.283 -4.986 2.329 302 1HB MET 39 HB2 MET 39 -6.676 -7.390 3.077 303 2HB MET 39 HB1 MET 39 -7.955 -7.467 1.865 304 1HG MET 39 HG2 MET 39 -6.252 -6.733 0.148 305 2HG MET 39 HG1 MET 39 -5.012 -6.931 1.386 306 1HE MET 39 HE1 MET 39 -7.838 -8.166 -0.437 307 2HE MET 39 HE3 MET 39 -7.381 -9.758 -1.057 308 3HE MET 39 HE2 MET 39 -8.236 -9.619 0.477 309 H VAL 40 HN VAL 40 -6.735 -3.456 0.803 310 HA VAL 40 HA VAL 40 -9.266 -3.650 -0.741 311 HB VAL 40 HB VAL 40 -7.142 -1.485 -0.809 312 1HG1 VAL 40 HG11 VAL 40 -9.947 -1.752 -1.898 313 2HG1 VAL 40 HG13 VAL 40 -9.191 -0.177 -1.655 314 3HG1 VAL 40 HG12 VAL 40 -8.472 -1.338 -2.771 315 1HG2 VAL 40 HG23 VAL 40 -9.745 -1.631 0.748 316 2HG2 VAL 40 HG22 VAL 40 -8.128 -1.713 1.446 317 3HG2 VAL 40 HG21 VAL 40 -8.677 -0.230 0.668 318 H VAL 41 HN VAL 41 -9.248 -4.578 -2.722 319 HA VAL 41 HA VAL 41 -6.761 -4.462 -4.352 320 HB VAL 41 HB VAL 41 -7.083 -6.874 -4.957 321 1HG1 VAL 41 HG12 VAL 41 -6.638 -6.236 -2.025 322 2HG1 VAL 41 HG11 VAL 41 -6.200 -7.760 -2.796 323 3HG1 VAL 41 HG13 VAL 41 -5.408 -6.263 -3.289 324 1HG2 VAL 41 HG22 VAL 41 -9.481 -6.995 -4.305 325 2HG2 VAL 41 HG21 VAL 41 -8.524 -8.251 -3.522 326 3HG2 VAL 41 HG23 VAL 41 -9.014 -6.821 -2.614 327 H GLY 42 HN GLY 42 -7.248 -5.126 -6.663 328 1HA GLY 42 HA2 GLY 42 -9.824 -3.929 -7.471 329 2HA GLY 42 HA1 GLY 42 -8.483 -4.327 -8.547 330 H ARG 43 HN ARG 43 -10.424 -5.239 -9.799 331 HA ARG 43 HA ARG 43 -11.603 -7.717 -8.810 332 1HB ARG 43 HB2 ARG 43 -12.520 -7.873 -11.140 333 2HB ARG 43 HB1 ARG 43 -12.885 -6.338 -10.351 334 1HG ARG 43 HG2 ARG 43 -10.955 -5.296 -11.497 335 2HG ARG 43 HG1 ARG 43 -10.620 -6.827 -12.308 336 1HD ARG 43 HD2 ARG 43 -12.640 -6.737 -13.552 337 2HD ARG 43 HD1 ARG 43 -13.314 -5.477 -12.518 338 HE ARG 43 HE ARG 43 -10.982 -4.383 -13.643 339 1HH1 ARG 43 HH11 ARG 43 -14.009 -5.692 -14.738 340 2HH1 ARG 43 HH12 ARG 43 -14.058 -4.703 -16.159 341 1HH2 ARG 43 HH21 ARG 43 -11.057 -3.106 -15.490 342 2HH2 ARG 43 HH22 ARG 43 -12.395 -3.246 -16.582 343 H ARG 44 HN ARG 44 -8.935 -6.818 -10.938 344 HA ARG 44 HA ARG 44 -8.439 -9.467 -11.967 345 1HB ARG 44 HB2 ARG 44 -6.563 -7.101 -11.652 346 2HB ARG 44 HB1 ARG 44 -6.228 -8.542 -12.612 347 1HG ARG 44 HG2 ARG 44 -8.751 -6.984 -13.099 348 2HG ARG 44 HG1 ARG 44 -7.230 -6.423 -13.792 349 1HD ARG 44 HD2 ARG 44 -8.092 -9.292 -14.109 350 2HD ARG 44 HD1 ARG 44 -8.693 -8.046 -15.202 351 HE ARG 44 HE ARG 44 -5.862 -7.795 -15.052 352 1HH1 ARG 44 HH11 ARG 44 -8.306 -9.982 -16.200 353 2HH1 ARG 44 HH12 ARG 44 -7.312 -10.616 -17.469 354 1HH2 ARG 44 HH21 ARG 44 -4.582 -8.625 -16.702 355 2HH2 ARG 44 HH22 ARG 44 -5.213 -9.851 -17.751 356 H THR 45 HN THR 45 -7.044 -7.607 -9.261 357 HA THR 45 HA THR 45 -5.251 -9.722 -8.435 358 HB THR 45 HB THR 45 -6.342 -7.483 -6.711 359 HG1 THR 45 HG1 THR 45 -3.956 -6.956 -7.751 360 1HG2 THR 45 HG22 THR 45 -4.889 -9.488 -5.841 361 2HG2 THR 45 HG21 THR 45 -3.569 -8.631 -6.639 362 3HG2 THR 45 HG23 THR 45 -4.480 -7.843 -5.351 363 H TYR 46 HN TYR 46 -8.607 -8.979 -7.835 364 HA TYR 46 HA TYR 46 -8.972 -10.493 -5.431 365 1HB TYR 46 HB2 TYR 46 -10.621 -8.860 -6.470 366 2HB TYR 46 HB1 TYR 46 -11.022 -10.127 -7.629 367 HD1 TYR 46 HD1 TYR 46 -10.516 -9.796 -3.919 368 HD2 TYR 46 HD2 TYR 46 -12.860 -11.452 -7.115 369 HE1 TYR 46 HE1 TYR 46 -12.043 -10.831 -2.262 370 HE2 TYR 46 HE2 TYR 46 -14.388 -12.487 -5.457 371 HH TYR 46 HH TYR 46 -14.844 -12.780 -3.312 372 H GLU 47 HN GLU 47 -9.078 -11.387 -8.863 373 HA GLU 47 HA GLU 47 -9.752 -14.180 -8.205 374 1HB GLU 47 HB2 GLU 47 -9.191 -12.745 -10.813 375 2HB GLU 47 HB1 GLU 47 -9.522 -14.475 -10.713 376 1HG GLU 47 HG2 GLU 47 -11.697 -14.023 -9.673 377 2HG GLU 47 HG1 GLU 47 -11.367 -12.291 -9.702 378 H SER 48 HN SER 48 -6.938 -12.245 -8.740 379 HA SER 48 HA SER 48 -5.125 -14.240 -9.692 380 1HB SER 48 HB2 SER 48 -4.773 -11.685 -8.130 381 2HB SER 48 HB1 SER 48 -3.396 -12.727 -8.482 382 HG SER 48 HG SER 48 -3.625 -12.336 -10.593 383 H PHE 49 HN PHE 49 -6.478 -13.613 -6.538 384 HA PHE 49 HA PHE 49 -4.518 -15.010 -4.965 385 1HB PHE 49 HB2 PHE 49 -7.478 -14.567 -4.458 386 2HB PHE 49 HB1 PHE 49 -6.317 -15.128 -3.255 387 HD1 PHE 49 HD1 PHE 49 -4.010 -13.584 -3.382 388 HD2 PHE 49 HD2 PHE 49 -8.020 -12.317 -4.258 389 HE1 PHE 49 HE1 PHE 49 -3.374 -11.237 -2.898 390 HE2 PHE 49 HE2 PHE 49 -7.384 -9.969 -3.775 391 HZ PHE 49 HZ PHE 49 -5.060 -9.429 -3.094 392 HA PRO 50 HA PRO 50 -5.585 -19.255 -5.773 393 1HB PRO 50 HB2 PRO 50 -4.935 -20.313 -3.266 394 2HB PRO 50 HB1 PRO 50 -3.802 -20.025 -4.594 395 1HG PRO 50 HG2 PRO 50 -3.961 -18.672 -2.073 396 2HG PRO 50 HG1 PRO 50 -2.803 -18.417 -3.386 397 1HD PRO 50 HD2 PRO 50 -5.129 -16.811 -2.655 398 2HD PRO 50 HD1 PRO 50 -3.794 -16.413 -3.747 399 H LYS 51 HN LYS 51 -6.364 -18.927 -2.302 400 HA LYS 51 HA LYS 51 -9.057 -20.064 -2.891 401 1HB LYS 51 HB2 LYS 51 -7.494 -21.179 -1.205 402 2HB LYS 51 HB1 LYS 51 -7.757 -19.772 -0.175 403 1HG LYS 51 HG2 LYS 51 -10.149 -20.189 -0.123 404 2HG LYS 51 HG1 LYS 51 -9.982 -21.501 -1.290 405 1HD LYS 51 HD2 LYS 51 -8.519 -22.707 0.338 406 2HD LYS 51 HD1 LYS 51 -8.836 -21.431 1.516 407 1HE LYS 51 HE2 LYS 51 -10.987 -23.111 0.193 408 2HE LYS 51 HE1 LYS 51 -10.334 -23.415 1.803 409 1HZ LYS 51 HZ3 LYS 51 -10.967 -21.033 2.297 410 2HZ LYS 51 HZ2 LYS 51 -11.880 -21.074 0.865 411 3HZ LYS 51 HZ1 LYS 51 -12.245 -22.135 2.140 412 H ARG 52 HN ARG 52 -10.126 -18.135 -3.503 413 HA ARG 52 HA ARG 52 -10.160 -15.910 -1.529 414 1HB ARG 52 HB2 ARG 52 -11.373 -14.679 -3.341 415 2HB ARG 52 HB1 ARG 52 -9.777 -15.238 -3.839 416 1HG ARG 52 HG2 ARG 52 -11.003 -17.341 -4.717 417 2HG ARG 52 HG1 ARG 52 -12.473 -16.377 -4.568 418 1HD ARG 52 HD2 ARG 52 -10.140 -15.131 -5.954 419 2HD ARG 52 HD1 ARG 52 -11.032 -16.384 -6.819 420 HE ARG 52 HE ARG 52 -12.066 -13.726 -6.065 421 1HH1 ARG 52 HH11 ARG 52 -12.705 -16.946 -7.204 422 2HH1 ARG 52 HH12 ARG 52 -14.235 -16.524 -7.899 423 1HH2 ARG 52 HH21 ARG 52 -14.052 -13.192 -6.970 424 2HH2 ARG 52 HH22 ARG 52 -14.993 -14.409 -7.766 425 HA PRO 53 HA PRO 53 -11.563 -14.094 -1.352 426 1HB PRO 53 HB2 PRO 53 -13.053 -13.297 0.884 427 2HB PRO 53 HB1 PRO 53 -13.431 -12.925 -0.804 428 1HG PRO 53 HG2 PRO 53 -14.865 -14.628 0.992 429 2HG PRO 53 HG1 PRO 53 -15.245 -14.242 -0.693 430 1HD PRO 53 HD2 PRO 53 -14.039 -16.667 0.414 431 2HD PRO 53 HD1 PRO 53 -14.739 -16.395 -1.191 432 H LEU 54 HN LEU 54 -10.029 -13.260 0.166 433 HA LEU 54 HA LEU 54 -8.798 -15.219 1.879 434 1HB LEU 54 HB2 LEU 54 -8.369 -12.222 1.719 435 2HB LEU 54 HB1 LEU 54 -7.302 -13.361 2.541 436 HG LEU 54 HG LEU 54 -8.013 -13.567 -0.397 437 1HD1 LEU 54 HD11 LEU 54 -5.870 -12.046 1.044 438 2HD1 LEU 54 HD13 LEU 54 -5.469 -12.814 -0.492 439 3HD1 LEU 54 HD12 LEU 54 -6.759 -11.614 -0.415 440 1HD2 LEU 54 HD22 LEU 54 -6.006 -14.913 1.427 441 2HD2 LEU 54 HD21 LEU 54 -7.280 -15.673 0.476 442 3HD2 LEU 54 HD23 LEU 54 -5.877 -14.972 -0.331 443 HA PRO 55 HA PRO 55 -11.448 -14.301 5.435 444 1HB PRO 55 HB2 PRO 55 -10.291 -16.273 7.045 445 2HB PRO 55 HB1 PRO 55 -11.684 -16.495 5.977 446 1HG PRO 55 HG2 PRO 55 -9.038 -17.578 5.707 447 2HG PRO 55 HG1 PRO 55 -10.457 -17.863 4.689 448 1HD PRO 55 HD2 PRO 55 -8.147 -16.168 4.168 449 2HD PRO 55 HD1 PRO 55 -9.439 -16.666 3.064 450 H GLU 56 HN GLU 56 -10.894 -14.080 7.927 451 HA GLU 56 HA GLU 56 -9.719 -12.897 9.573 452 1HB GLU 56 HB2 GLU 56 -7.266 -13.643 7.953 453 2HB GLU 56 HB1 GLU 56 -7.312 -13.186 9.657 454 1HG GLU 56 HG2 GLU 56 -8.830 -15.567 8.573 455 2HG GLU 56 HG1 GLU 56 -7.182 -15.691 9.190 456 H ARG 57 HN ARG 57 -10.635 -11.566 7.066 457 HA ARG 57 HA ARG 57 -9.549 -8.968 7.539 458 1HB ARG 57 HB2 ARG 57 -8.317 -8.666 5.389 459 2HB ARG 57 HB1 ARG 57 -7.530 -9.823 6.462 460 1HG ARG 57 HG2 ARG 57 -8.989 -11.588 5.170 461 2HG ARG 57 HG1 ARG 57 -9.065 -10.335 3.932 462 1HD ARG 57 HD2 ARG 57 -7.142 -11.490 3.294 463 2HD ARG 57 HD1 ARG 57 -6.463 -10.213 4.303 464 HE ARG 57 HE ARG 57 -6.894 -12.233 6.112 465 1HH1 ARG 57 HH21 ARG 57 -5.346 -12.077 3.006 466 2HH1 ARG 57 HH22 ARG 57 -4.220 -13.341 3.370 467 1HH2 ARG 57 HH11 ARG 57 -5.426 -13.872 6.574 468 2HH2 ARG 57 HH12 ARG 57 -4.267 -14.352 5.381 469 H THR 58 HN THR 58 -10.273 -7.420 5.712 470 HA THR 58 HA THR 58 -12.915 -8.378 4.704 471 HB THR 58 HB THR 58 -12.000 -5.504 4.942 472 HG1 THR 58 HG1 THR 58 -12.337 -7.175 6.904 473 1HG2 THR 58 HG23 THR 58 -14.650 -6.913 4.610 474 2HG2 THR 58 HG22 THR 58 -14.541 -5.237 5.147 475 3HG2 THR 58 HG21 THR 58 -13.925 -5.696 3.560 476 H ASN 59 HN ASN 59 -12.954 -8.843 2.568 477 HA ASN 59 HA ASN 59 -10.840 -7.835 0.786 478 1HB ASN 59 HB2 ASN 59 -13.173 -9.721 0.379 479 2HB ASN 59 HB1 ASN 59 -12.083 -9.247 -0.924 480 1HD2 ASN 59 HD22 ASN 59 -10.320 -11.305 2.178 481 2HD2 ASN 59 HD21 ASN 59 -11.462 -10.099 2.532 482 H VAL 60 HN VAL 60 -11.184 -5.682 0.314 483 HA VAL 60 HA VAL 60 -13.914 -4.824 -0.502 484 HB VAL 60 HB VAL 60 -11.432 -3.135 -0.070 485 1HG1 VAL 60 HG12 VAL 60 -14.376 -2.514 -0.410 486 2HG1 VAL 60 HG11 VAL 60 -13.209 -1.342 0.200 487 3HG1 VAL 60 HG13 VAL 60 -13.042 -1.984 -1.435 488 1HG2 VAL 60 HG23 VAL 60 -13.706 -3.878 1.794 489 2HG2 VAL 60 HG22 VAL 60 -11.989 -4.205 2.027 490 3HG2 VAL 60 HG21 VAL 60 -12.589 -2.548 2.101 491 H VAL 61 HN VAL 61 -14.148 -5.480 -2.628 492 HA VAL 61 HA VAL 61 -11.952 -5.099 -4.554 493 HB VAL 61 HB VAL 61 -14.801 -6.013 -5.052 494 1HG1 VAL 61 HG12 VAL 61 -12.235 -6.083 -6.647 495 2HG1 VAL 61 HG11 VAL 61 -13.593 -7.145 -7.015 496 3HG1 VAL 61 HG13 VAL 61 -13.790 -5.395 -7.117 497 1HG2 VAL 61 HG21 VAL 61 -13.634 -7.448 -3.397 498 2HG2 VAL 61 HG23 VAL 61 -13.890 -8.294 -4.923 499 3HG2 VAL 61 HG22 VAL 61 -12.296 -7.648 -4.530 500 H LEU 62 HN LEU 62 -11.834 -3.437 -6.020 501 HA LEU 62 HA LEU 62 -14.013 -1.391 -5.907 502 1HB LEU 62 HB2 LEU 62 -11.683 -0.724 -5.152 503 2HB LEU 62 HB1 LEU 62 -11.155 -0.971 -6.816 504 HG LEU 62 HG LEU 62 -13.075 0.618 -7.471 505 1HD1 LEU 62 HD13 LEU 62 -12.990 0.904 -4.479 506 2HD1 LEU 62 HD12 LEU 62 -13.421 2.290 -5.480 507 3HD1 LEU 62 HD11 LEU 62 -14.391 0.818 -5.546 508 1HD2 LEU 62 HD23 LEU 62 -10.623 1.506 -5.932 509 2HD2 LEU 62 HD22 LEU 62 -10.810 1.371 -7.681 510 3HD2 LEU 62 HD21 LEU 62 -11.663 2.638 -6.797 511 H THR 63 HN THR 63 -15.310 -1.539 -7.666 512 HA THR 63 HA THR 63 -14.035 -1.808 -10.341 513 HB THR 63 HB THR 63 -14.767 -4.065 -9.799 514 HG1 THR 63 HG1 THR 63 -15.461 -2.792 -11.861 515 1HG2 THR 63 HG21 THR 63 -17.456 -2.789 -9.224 516 2HG2 THR 63 HG23 THR 63 -17.124 -4.521 -9.221 517 3HG2 THR 63 HG22 THR 63 -16.364 -3.476 -8.021 518 H HIS 64 HN HIS 64 -15.162 -0.702 -11.979 519 HA HIS 64 HA HIS 64 -17.259 1.162 -10.996 520 1HB HIS 64 HB2 HIS 64 -15.431 1.157 -13.401 521 2HB HIS 64 HB1 HIS 64 -16.807 2.255 -13.285 522 HD1 HIS 64 HD1 HIS 64 -16.472 4.348 -11.939 523 HD2 HIS 64 HD2 HIS 64 -13.534 1.500 -11.142 524 HE1 HIS 64 HE1 HIS 64 -14.785 5.467 -10.420 525 H GLN 65 HN GLN 65 -16.746 -1.506 -13.191 526 HA GLN 65 HA GLN 65 -19.140 -1.132 -14.768 527 1HB GLN 65 HB2 GLN 65 -17.070 -2.613 -15.278 528 2HB GLN 65 HB1 GLN 65 -17.849 -3.807 -14.241 529 1HG GLN 65 HG2 GLN 65 -18.719 -4.393 -16.319 530 2HG GLN 65 HG1 GLN 65 -19.960 -3.284 -15.736 531 1HE2 GLN 65 HE22 GLN 65 -19.256 -0.790 -18.159 532 2HE2 GLN 65 HE21 GLN 65 -20.109 -1.172 -16.742 533 H GLU 66 HN GLU 66 -21.213 -1.830 -14.360 534 HA GLU 66 HA GLU 66 -21.787 -2.812 -11.635 535 1HB GLU 66 HB2 GLU 66 -23.636 -2.008 -13.904 536 2HB GLU 66 HB1 GLU 66 -24.154 -2.420 -12.269 537 1HG GLU 66 HG2 GLU 66 -23.204 -0.497 -11.339 538 2HG GLU 66 HG1 GLU 66 -22.078 -0.286 -12.680 539 H ASP 67 HN ASP 67 -20.493 -4.567 -13.663 540 HA ASP 67 HA ASP 67 -22.628 -6.641 -13.955 541 1HB ASP 67 HB2 ASP 67 -21.365 -5.757 -16.025 542 2HB ASP 67 HB1 ASP 67 -19.975 -6.643 -15.398 543 H TYR 68 HN TYR 68 -19.452 -5.929 -12.659 544 HA TYR 68 HA TYR 68 -18.682 -8.621 -12.012 545 1HB TYR 68 HB2 TYR 68 -17.239 -6.471 -12.008 546 2HB TYR 68 HB1 TYR 68 -17.893 -6.201 -10.392 547 HD1 TYR 68 HD1 TYR 68 -16.076 -8.696 -12.490 548 HD2 TYR 68 HD2 TYR 68 -17.042 -7.371 -8.520 549 HE1 TYR 68 HE1 TYR 68 -14.439 -10.308 -11.555 550 HE2 TYR 68 HE2 TYR 68 -15.405 -8.982 -7.584 551 HH TYR 68 HH TYR 68 -14.301 -11.520 -9.017 552 H GLN 69 HN GLN 69 -19.097 -9.847 -10.177 553 HA GLN 69 HA GLN 69 -20.735 -8.630 -8.011 554 1HB GLN 69 HB2 GLN 69 -21.474 -11.018 -9.705 555 2HB GLN 69 HB1 GLN 69 -22.121 -10.811 -8.078 556 1HG GLN 69 HG2 GLN 69 -22.266 -8.522 -10.013 557 2HG GLN 69 HG1 GLN 69 -23.438 -9.834 -10.141 558 1HE2 GLN 69 HE22 GLN 69 -24.344 -7.062 -7.561 559 2HE2 GLN 69 HE21 GLN 69 -23.538 -6.881 -9.044 560 H ALA 70 HN ALA 70 -19.268 -8.903 -6.370 561 HA ALA 70 HA ALA 70 -17.834 -11.495 -6.134 562 1HB ALA 70 HB3 ALA 70 -16.767 -9.107 -5.879 563 2HB ALA 70 HB2 ALA 70 -17.457 -9.177 -4.257 564 3HB ALA 70 HB1 ALA 70 -16.287 -10.393 -4.771 565 H GLN 71 HN GLN 71 -18.561 -13.012 -4.730 566 HA GLN 71 HA GLN 71 -20.759 -12.307 -2.877 567 1HB GLN 71 HB2 GLN 71 -19.537 -14.975 -3.647 568 2HB GLN 71 HB1 GLN 71 -20.902 -14.780 -2.546 569 1HG GLN 71 HG2 GLN 71 -20.991 -13.552 -5.292 570 2HG GLN 71 HG1 GLN 71 -21.384 -15.257 -5.069 571 1HE2 GLN 71 HE22 GLN 71 -23.894 -12.405 -3.505 572 2HE2 GLN 71 HE21 GLN 71 -22.303 -11.981 -3.918 573 H GLY 72 HN GLY 72 -20.464 -12.125 -0.699 574 1HA GLY 72 HA2 GLY 72 -19.430 -12.259 1.410 575 2HA GLY 72 HA1 GLY 72 -18.372 -13.507 0.747 576 H ALA 73 HN ALA 73 -18.787 -10.185 -0.437 577 HA ALA 73 HA ALA 73 -16.205 -9.340 0.675 578 1HB ALA 73 HB2 ALA 73 -15.759 -10.685 -1.486 579 2HB ALA 73 HB1 ALA 73 -16.494 -9.323 -2.330 580 3HB ALA 73 HB3 ALA 73 -15.035 -9.081 -1.369 581 H VAL 74 HN VAL 74 -16.079 -7.096 0.776 582 HA VAL 74 HA VAL 74 -18.527 -5.607 0.328 583 HB VAL 74 HB VAL 74 -15.755 -4.538 0.941 584 1HG1 VAL 74 HG12 VAL 74 -17.461 -2.879 0.192 585 2HG1 VAL 74 HG11 VAL 74 -18.516 -3.412 1.501 586 3HG1 VAL 74 HG13 VAL 74 -16.976 -2.635 1.870 587 1HG2 VAL 74 HG23 VAL 74 -17.973 -5.441 2.808 588 2HG2 VAL 74 HG22 VAL 74 -16.425 -6.252 2.580 589 3HG2 VAL 74 HG21 VAL 74 -16.481 -4.649 3.310 590 H VAL 75 HN VAL 75 -19.000 -5.582 -1.887 591 HA VAL 75 HA VAL 75 -16.966 -4.805 -3.850 592 HB VAL 75 HB VAL 75 -19.967 -5.068 -4.210 593 1HG1 VAL 75 HG13 VAL 75 -18.652 -3.842 -5.979 594 2HG1 VAL 75 HG12 VAL 75 -17.707 -5.313 -6.216 595 3HG1 VAL 75 HG11 VAL 75 -19.438 -5.312 -6.559 596 1HG2 VAL 75 HG21 VAL 75 -17.736 -7.106 -4.476 597 2HG2 VAL 75 HG23 VAL 75 -19.088 -7.164 -3.346 598 3HG2 VAL 75 HG22 VAL 75 -19.375 -7.353 -5.076 599 H VAL 76 HN VAL 76 -16.324 -2.687 -3.456 600 HA VAL 76 HA VAL 76 -18.392 -0.595 -3.103 601 HB VAL 76 HB VAL 76 -16.409 0.907 -2.785 602 1HG1 VAL 76 HG13 VAL 76 -17.484 -0.272 -0.879 603 2HG1 VAL 76 HG12 VAL 76 -16.374 -1.623 -1.110 604 3HG1 VAL 76 HG11 VAL 76 -15.754 -0.046 -0.622 605 1HG2 VAL 76 HG23 VAL 76 -14.953 -0.650 -4.261 606 2HG2 VAL 76 HG22 VAL 76 -14.200 0.057 -2.832 607 3HG2 VAL 76 HG21 VAL 76 -14.751 -1.618 -2.799 608 H HIS 77 HN HIS 77 -18.144 1.423 -4.460 609 HA HIS 77 HA HIS 77 -17.025 0.901 -7.167 610 1HB HIS 77 HB2 HIS 77 -19.864 1.805 -6.595 611 2HB HIS 77 HB1 HIS 77 -19.119 1.787 -8.194 612 HD1 HIS 77 HD1 HIS 77 -19.061 -0.420 -9.425 613 HD2 HIS 77 HD2 HIS 77 -20.148 -0.872 -5.426 614 HE1 HIS 77 HE1 HIS 77 -19.772 -2.835 -9.145 615 H ASP 78 HN ASP 78 -16.247 2.625 -4.888 616 HA ASP 78 HA ASP 78 -15.759 5.062 -6.369 617 1HB ASP 78 HB2 ASP 78 -18.209 5.218 -5.466 618 2HB ASP 78 HB1 ASP 78 -17.434 5.494 -3.905 619 H VAL 79 HN VAL 79 -14.058 6.207 -5.427 620 HA VAL 79 HA VAL 79 -12.487 4.856 -3.430 621 HB VAL 79 HB VAL 79 -12.257 7.740 -4.341 622 1HG1 VAL 79 HG12 VAL 79 -10.960 6.953 -2.294 623 2HG1 VAL 79 HG11 VAL 79 -10.110 5.840 -3.367 624 3HG1 VAL 79 HG13 VAL 79 -9.976 7.581 -3.616 625 1HG2 VAL 79 HG23 VAL 79 -12.294 6.169 -6.257 626 2HG2 VAL 79 HG22 VAL 79 -10.690 6.869 -6.036 627 3HG2 VAL 79 HG21 VAL 79 -11.015 5.221 -5.497 628 H ALA 80 HN ALA 80 -14.766 7.555 -3.321 629 HA ALA 80 HA ALA 80 -14.181 8.343 -0.607 630 1HB ALA 80 HB3 ALA 80 -16.508 8.786 -2.475 631 2HB ALA 80 HB2 ALA 80 -16.575 9.330 -0.798 632 3HB ALA 80 HB1 ALA 80 -15.335 9.962 -1.881 633 H ALA 81 HN ALA 81 -16.278 5.924 -2.061 634 HA ALA 81 HA ALA 81 -17.857 5.368 0.280 635 1HB ALA 81 HB2 ALA 81 -17.144 3.610 -2.087 636 2HB ALA 81 HB1 ALA 81 -18.369 3.218 -0.880 637 3HB ALA 81 HB3 ALA 81 -18.582 4.619 -1.931 638 H VAL 82 HN VAL 82 -14.757 4.157 -0.916 639 HA VAL 82 HA VAL 82 -14.491 2.027 1.010 640 HB VAL 82 HB VAL 82 -12.282 3.568 -0.386 641 1HG1 VAL 82 HG13 VAL 82 -12.463 0.859 0.949 642 2HG1 VAL 82 HG12 VAL 82 -11.166 1.277 -0.170 643 3HG1 VAL 82 HG11 VAL 82 -11.362 2.182 1.331 644 1HG2 VAL 82 HG21 VAL 82 -14.164 1.414 -1.303 645 2HG2 VAL 82 HG23 VAL 82 -13.556 2.814 -2.188 646 3HG2 VAL 82 HG22 VAL 82 -12.508 1.423 -1.914 647 H PHE 83 HN PHE 83 -13.533 5.442 0.983 648 HA PHE 83 HA PHE 83 -12.051 5.343 3.458 649 1HB PHE 83 HB2 PHE 83 -13.293 7.558 1.833 650 2HB PHE 83 HB1 PHE 83 -12.567 7.888 3.406 651 HD1 PHE 83 HD1 PHE 83 -10.203 6.509 3.703 652 HD2 PHE 83 HD2 PHE 83 -11.892 7.925 0.016 653 HE1 PHE 83 HE1 PHE 83 -7.949 6.502 2.668 654 HE2 PHE 83 HE2 PHE 83 -9.638 7.916 -1.020 655 HZ PHE 83 HZ PHE 83 -7.668 7.205 0.306 656 H ALA 84 HN ALA 84 -15.443 5.789 2.644 657 HA ALA 84 HA ALA 84 -16.308 6.768 5.206 658 1HB ALA 84 HB1 ALA 84 -17.636 6.830 3.045 659 2HB ALA 84 HB3 ALA 84 -17.937 5.107 3.268 660 3HB ALA 84 HB2 ALA 84 -18.536 6.268 4.452 661 H TYR 85 HN TYR 85 -15.874 3.521 3.863 662 HA TYR 85 HA TYR 85 -17.081 2.123 6.082 663 1HB TYR 85 HB2 TYR 85 -16.599 1.199 3.743 664 2HB TYR 85 HB1 TYR 85 -14.923 1.032 4.266 665 HD1 TYR 85 HD1 TYR 85 -18.395 0.220 5.442 666 HD2 TYR 85 HD2 TYR 85 -14.268 -0.959 5.290 667 HE1 TYR 85 HE1 TYR 85 -18.962 -1.906 6.584 668 HE2 TYR 85 HE2 TYR 85 -14.834 -3.086 6.432 669 HH TYR 85 HH TYR 85 -18.004 -4.203 6.768 670 H ALA 86 HN ALA 86 -13.852 3.351 5.413 671 HA ALA 86 HA ALA 86 -12.566 1.941 7.603 672 1HB ALA 86 HB3 ALA 86 -11.748 4.372 5.987 673 2HB ALA 86 HB2 ALA 86 -10.717 3.605 7.196 674 3HB ALA 86 HB1 ALA 86 -11.202 2.711 5.756 675 H LYS 87 HN LYS 87 -14.332 4.938 7.257 676 HA LYS 87 HA LYS 87 -13.410 6.257 9.627 677 1HB LYS 87 HB2 LYS 87 -14.897 7.145 7.668 678 2HB LYS 87 HB1 LYS 87 -16.237 6.509 8.624 679 1HG LYS 87 HG2 LYS 87 -15.506 7.854 10.557 680 2HG LYS 87 HG1 LYS 87 -14.161 8.489 9.609 681 1HD LYS 87 HD2 LYS 87 -15.981 9.232 7.915 682 2HD LYS 87 HD1 LYS 87 -17.112 8.985 9.246 683 1HE LYS 87 HE2 LYS 87 -16.189 10.698 10.527 684 2HE LYS 87 HE1 LYS 87 -14.625 10.598 9.718 685 1HZ LYS 87 HZ3 LYS 87 -16.638 11.234 7.845 686 2HZ LYS 87 HZ2 LYS 87 -16.715 12.325 9.145 687 3HZ LYS 87 HZ1 LYS 87 -15.267 12.133 8.279 688 H GLN 88 HN GLN 88 -16.142 4.041 9.049 689 HA GLN 88 HA GLN 88 -17.139 4.100 11.742 690 1HB GLN 88 HB2 GLN 88 -17.385 2.064 9.515 691 2HB GLN 88 HB1 GLN 88 -18.200 1.883 11.068 692 1HG GLN 88 HG2 GLN 88 -19.428 3.935 10.746 693 2HG GLN 88 HG1 GLN 88 -18.489 4.328 9.305 694 1HE2 GLN 88 HE22 GLN 88 -20.122 1.703 7.347 695 2HE2 GLN 88 HE21 GLN 88 -18.563 2.313 7.625 696 H HIS 89 HN HIS 89 -14.586 2.282 10.159 697 HA HIS 89 HA HIS 89 -14.036 0.910 12.763 698 1HB HIS 89 HB2 HIS 89 -13.621 -0.016 9.913 699 2HB HIS 89 HB1 HIS 89 -12.816 -0.787 11.281 700 HD1 HIS 89 HD1 HIS 89 -14.074 -2.790 12.039 701 HD2 HIS 89 HD2 HIS 89 -16.648 0.196 10.683 702 HE1 HIS 89 HE1 HIS 89 -16.425 -3.687 12.326 703 HA PRO 90 HA PRO 90 -10.411 3.660 12.047 704 1HB PRO 90 HB2 PRO 90 -10.215 4.288 14.769 705 2HB PRO 90 HB1 PRO 90 -11.008 5.271 13.532 706 1HG PRO 90 HG2 PRO 90 -12.215 3.854 15.706 707 2HG PRO 90 HG1 PRO 90 -13.001 4.859 14.481 708 1HD PRO 90 HD2 PRO 90 -12.878 1.944 14.666 709 2HD PRO 90 HD1 PRO 90 -13.919 2.958 13.654 710 H ASP 91 HN ASP 91 -11.044 0.986 14.178 711 HA ASP 91 HA ASP 91 -8.397 0.645 15.248 712 1HB ASP 91 HB2 ASP 91 -10.554 -0.469 16.054 713 2HB ASP 91 HB1 ASP 91 -10.372 -1.578 14.694 714 H GLN 92 HN GLN 92 -9.879 -0.176 12.191 715 HA GLN 92 HA GLN 92 -7.561 -1.858 11.416 716 1HB GLN 92 HB2 GLN 92 -10.121 -1.172 9.938 717 2HB GLN 92 HB1 GLN 92 -8.877 -2.275 9.350 718 1HG GLN 92 HG2 GLN 92 -9.202 -3.696 11.351 719 2HG GLN 92 HG1 GLN 92 -10.471 -2.606 11.909 720 1HE2 GLN 92 HE22 GLN 92 -11.238 -4.866 8.548 721 2HE2 GLN 92 HE21 GLN 92 -9.640 -4.390 8.872 722 H GLU 93 HN GLU 93 -6.975 -1.369 8.923 723 HA GLU 93 HA GLU 93 -6.719 1.574 8.537 724 1HB GLU 93 HB2 GLU 93 -4.436 -0.419 8.394 725 2HB GLU 93 HB1 GLU 93 -4.327 1.283 7.944 726 1HG GLU 93 HG2 GLU 93 -5.201 1.770 10.328 727 2HG GLU 93 HG1 GLU 93 -4.776 0.095 10.681 728 H LEU 94 HN LEU 94 -5.841 2.014 6.253 729 HA LEU 94 HA LEU 94 -7.143 0.096 4.376 730 1HB LEU 94 HB2 LEU 94 -7.709 2.666 4.551 731 2HB LEU 94 HB1 LEU 94 -6.246 2.851 3.582 732 HG LEU 94 HG LEU 94 -8.419 0.905 2.801 733 1HD1 LEU 94 HD13 LEU 94 -8.162 3.832 2.049 734 2HD1 LEU 94 HD12 LEU 94 -9.246 2.685 1.263 735 3HD1 LEU 94 HD11 LEU 94 -9.483 3.100 2.960 736 1HD2 LEU 94 HD21 LEU 94 -6.034 2.202 1.490 737 2HD2 LEU 94 HD23 LEU 94 -6.450 0.490 1.576 738 3HD2 LEU 94 HD22 LEU 94 -7.357 1.566 0.513 739 H VAL 95 HN VAL 95 -5.803 -1.176 3.210 740 HA VAL 95 HA VAL 95 -3.040 -0.172 2.640 741 HB VAL 95 HB VAL 95 -3.876 -3.060 3.044 742 1HG1 VAL 95 HG11 VAL 95 -1.187 -1.693 2.734 743 2HG1 VAL 95 HG13 VAL 95 -1.396 -3.386 3.180 744 3HG1 VAL 95 HG12 VAL 95 -1.932 -2.818 1.598 745 1HG2 VAL 95 HG23 VAL 95 -2.677 -1.006 4.906 746 2HG2 VAL 95 HG22 VAL 95 -4.049 -2.076 5.192 747 3HG2 VAL 95 HG21 VAL 95 -2.412 -2.731 5.156 748 H ILE 96 HN ILE 96 -2.464 -0.181 0.507 749 HA ILE 96 HA ILE 96 -4.426 -1.312 -1.430 750 HB ILE 96 HB ILE 96 -2.144 0.610 -1.958 751 1HG1 ILE 96 HG12 ILE 96 -3.765 1.601 -0.378 752 2HG1 ILE 96 HG11 ILE 96 -3.872 2.379 -1.954 753 1HG2 ILE 96 HG21 ILE 96 -3.084 -0.744 -3.875 754 2HG2 ILE 96 HG23 ILE 96 -4.636 0.043 -3.583 755 3HG2 ILE 96 HG22 ILE 96 -3.237 1.002 -4.066 756 1HD1 ILE 96 HD13 ILE 96 -5.787 0.831 -2.504 757 2HD1 ILE 96 HD12 ILE 96 -5.737 0.267 -0.834 758 3HD1 ILE 96 HD11 ILE 96 -6.127 1.951 -1.185 759 H ALA 97 HN ALA 97 -3.896 -3.221 -2.350 760 HA ALA 97 HA ALA 97 -1.012 -3.999 -2.442 761 1HB ALA 97 HB3 ALA 97 -3.551 -5.501 -2.039 762 2HB ALA 97 HB2 ALA 97 -2.292 -6.312 -2.969 763 3HB ALA 97 HB1 ALA 97 -1.962 -5.769 -1.325 764 H GLY 98 HN GLY 98 -3.864 -3.405 -4.356 765 1HA GLY 98 HA2 GLY 98 -2.638 -2.925 -6.782 766 2HA GLY 98 HA1 GLY 98 -2.852 -4.676 -6.778 767 H GLY 99 HN GLY 99 -5.950 -3.458 -8.346 768 1HA GLY 99 HA2 GLY 99 -3.208 -4.413 -8.808 769 2HA GLY 99 HA1 GLY 99 -4.433 -4.129 -10.046 770 H ALA 100 HN ALA 100 -2.895 -2.937 -11.322 771 HA ALA 100 HA ALA 100 -1.469 -0.645 -10.326 772 1HB ALA 100 HB2 ALA 100 -2.236 -1.592 -13.088 773 2HB ALA 100 HB1 ALA 100 -1.397 -0.060 -12.844 774 3HB ALA 100 HB3 ALA 100 -0.638 -1.570 -12.342 775 H GLN 101 HN GLN 101 -4.686 -1.101 -11.685 776 HA GLN 101 HA GLN 101 -5.235 1.733 -12.021 777 1HB GLN 101 HB2 GLN 101 -7.096 -0.658 -11.832 778 2HB GLN 101 HB1 GLN 101 -7.597 0.972 -12.283 779 1HG GLN 101 HG2 GLN 101 -6.351 0.927 -14.291 780 2HG GLN 101 HG1 GLN 101 -5.379 -0.444 -13.758 781 1HE2 GLN 101 HE22 GLN 101 -9.233 -1.180 -15.016 782 2HE2 GLN 101 HE21 GLN 101 -8.861 0.335 -14.348 783 H ILE 102 HN ILE 102 -5.497 -0.577 -9.407 784 HA ILE 102 HA ILE 102 -7.261 1.056 -7.763 785 HB ILE 102 HB ILE 102 -5.397 -1.173 -6.900 786 1HG1 ILE 102 HG12 ILE 102 -6.879 -1.920 -8.731 787 2HG1 ILE 102 HG11 ILE 102 -7.342 -2.666 -7.204 788 1HG2 ILE 102 HG23 ILE 102 -6.314 0.202 -5.070 789 2HG2 ILE 102 HG22 ILE 102 -7.945 -0.064 -5.684 790 3HG2 ILE 102 HG21 ILE 102 -7.010 -1.418 -5.050 791 1HD1 ILE 102 HD13 ILE 102 -9.101 -0.919 -6.921 792 2HD1 ILE 102 HD12 ILE 102 -8.671 -0.266 -8.502 793 3HD1 ILE 102 HD11 ILE 102 -9.346 -1.890 -8.373 794 H PHE 103 HN PHE 103 -3.770 0.638 -8.108 795 HA PHE 103 HA PHE 103 -2.974 2.072 -5.765 796 1HB PHE 103 HB2 PHE 103 -1.644 1.516 -8.417 797 2HB PHE 103 HB1 PHE 103 -0.857 2.514 -7.196 798 HD1 PHE 103 HD2 PHE 103 -1.361 1.360 -4.670 799 HD2 PHE 103 HD1 PHE 103 -0.819 -0.660 -8.421 800 HE1 PHE 103 HE2 PHE 103 -0.635 -0.682 -3.465 801 HE2 PHE 103 HE1 PHE 103 -0.094 -2.702 -7.215 802 HZ PHE 103 HZ PHE 103 -0.001 -2.712 -4.737 803 H THR 104 HN THR 104 -3.296 3.187 -9.154 804 HA THR 104 HA THR 104 -2.785 5.947 -8.568 805 HB THR 104 HB THR 104 -4.276 6.132 -10.797 806 HG1 THR 104 HG1 THR 104 -3.529 3.420 -10.518 807 1HG2 THR 104 HG21 THR 104 -1.766 6.488 -10.406 808 2HG2 THR 104 HG23 THR 104 -1.564 4.807 -10.902 809 3HG2 THR 104 HG22 THR 104 -2.247 5.982 -12.025 810 H ALA 105 HN ALA 105 -5.602 3.943 -8.212 811 HA ALA 105 HA ALA 105 -7.582 6.043 -8.204 812 1HB ALA 105 HB1 ALA 105 -7.955 3.499 -8.410 813 2HB ALA 105 HB3 ALA 105 -7.794 3.458 -6.654 814 3HB ALA 105 HB2 ALA 105 -9.089 4.396 -7.399 815 H PHE 106 HN PHE 106 -5.639 4.491 -5.662 816 HA PHE 106 HA PHE 106 -6.729 6.453 -3.697 817 1HB PHE 106 HB2 PHE 106 -5.278 3.819 -3.383 818 2HB PHE 106 HB1 PHE 106 -5.511 4.932 -2.034 819 HD1 PHE 106 HD1 PHE 106 -7.178 2.678 -4.421 820 HD2 PHE 106 HD2 PHE 106 -7.735 5.379 -1.127 821 HE1 PHE 106 HE1 PHE 106 -9.485 1.822 -4.109 822 HE2 PHE 106 HE2 PHE 106 -10.041 4.523 -0.815 823 HZ PHE 106 HZ PHE 106 -10.916 2.744 -2.307 824 H LYS 107 HN LYS 107 -4.435 6.640 -5.858 825 HA LYS 107 HA LYS 107 -2.016 7.094 -4.345 826 1HB LYS 107 HB2 LYS 107 -2.114 6.646 -6.823 827 2HB LYS 107 HB1 LYS 107 -2.766 8.271 -7.036 828 1HG LYS 107 HG2 LYS 107 -0.688 9.047 -5.682 829 2HG LYS 107 HG1 LYS 107 -0.031 7.456 -6.071 830 1HD LYS 107 HD2 LYS 107 -1.186 9.224 -8.223 831 2HD LYS 107 HD1 LYS 107 0.488 9.406 -7.699 832 1HE LYS 107 HE2 LYS 107 0.924 7.041 -8.214 833 2HE LYS 107 HE1 LYS 107 -0.757 6.831 -8.707 834 1HZ LYS 107 HZ1 LYS 107 -0.366 8.608 -10.377 835 2HZ LYS 107 HZ3 LYS 107 1.283 8.567 -9.981 836 3HZ LYS 107 HZ2 LYS 107 0.537 7.194 -10.648 837 H ASP 108 HN ASP 108 -4.840 9.007 -5.046 838 HA ASP 108 HA ASP 108 -3.698 11.608 -4.586 839 1HB ASP 108 HB2 ASP 108 -5.978 11.033 -5.635 840 2HB ASP 108 HB1 ASP 108 -6.558 10.843 -3.980 841 H ASP 109 HN ASP 109 -5.356 9.281 -2.453 842 HA ASP 109 HA ASP 109 -4.627 10.973 -0.112 843 1HB ASP 109 HB2 ASP 109 -6.594 8.718 -0.519 844 2HB ASP 109 HB1 ASP 109 -6.122 9.247 1.097 845 H VAL 110 HN VAL 110 -2.559 9.532 -1.479 846 HA VAL 110 HA VAL 110 -2.013 7.105 0.084 847 HB VAL 110 HB VAL 110 -1.338 7.236 -2.287 848 1HG1 VAL 110 HG11 VAL 110 -0.839 9.773 -2.055 849 2HG1 VAL 110 HG13 VAL 110 0.756 9.257 -1.506 850 3HG1 VAL 110 HG12 VAL 110 0.193 8.817 -3.119 851 1HG2 VAL 110 HG22 VAL 110 0.062 6.081 -0.343 852 2HG2 VAL 110 HG21 VAL 110 0.676 6.125 -1.996 853 3HG2 VAL 110 HG23 VAL 110 1.264 7.286 -0.805 854 H ASP 111 HN ASP 111 -0.343 6.916 1.641 855 HA ASP 111 HA ASP 111 0.851 9.490 2.586 856 1HB ASP 111 HB2 ASP 111 -0.365 7.278 4.266 857 2HB ASP 111 HB1 ASP 111 0.570 8.623 4.921 858 H THR 112 HN THR 112 1.056 5.985 3.314 859 HA THR 112 HA THR 112 4.007 6.244 3.461 860 HB THR 112 HB THR 112 2.394 3.739 3.967 861 HG1 THR 112 HG1 THR 112 2.000 5.940 5.201 862 1HG2 THR 112 HG23 THR 112 5.051 4.781 4.989 863 2HG2 THR 112 HG22 THR 112 4.300 3.264 5.487 864 3HG2 THR 112 HG21 THR 112 4.823 3.483 3.817 865 H LEU 113 HN LEU 113 5.311 4.510 2.358 866 HA LEU 113 HA LEU 113 4.020 3.378 -0.068 867 1HB LEU 113 HB2 LEU 113 6.364 5.287 -0.035 868 2HB LEU 113 HB1 LEU 113 6.070 4.190 -1.385 869 HG LEU 113 HG LEU 113 3.907 6.015 -0.336 870 1HD1 LEU 113 HD11 LEU 113 6.111 6.587 -2.322 871 2HD1 LEU 113 HD13 LEU 113 4.572 7.448 -2.371 872 3HD1 LEU 113 HD12 LEU 113 5.603 7.564 -0.943 873 1HD2 LEU 113 HD21 LEU 113 4.380 4.289 -2.745 874 2HD2 LEU 113 HD23 LEU 113 2.926 4.455 -1.760 875 3HD2 LEU 113 HD22 LEU 113 3.360 5.719 -2.911 876 H LEU 114 HN LEU 114 4.355 1.292 0.796 877 HA LEU 114 HA LEU 114 7.102 0.500 1.562 878 1HB LEU 114 HB2 LEU 114 4.463 -0.995 1.574 879 2HB LEU 114 HB1 LEU 114 5.998 -1.701 2.082 880 HG LEU 114 HG LEU 114 4.996 0.881 3.277 881 1HD1 LEU 114 HD12 LEU 114 3.246 -0.857 3.578 882 2HD1 LEU 114 HD11 LEU 114 4.454 -1.929 4.288 883 3HD1 LEU 114 HD13 LEU 114 4.015 -0.428 5.105 884 1HD2 LEU 114 HD22 LEU 114 6.909 -1.303 4.161 885 2HD2 LEU 114 HD21 LEU 114 7.334 0.340 3.677 886 3HD2 LEU 114 HD23 LEU 114 6.435 0.065 5.169 887 H VAL 115 HN VAL 115 8.440 -0.065 -0.080 888 HA VAL 115 HA VAL 115 7.269 -1.592 -2.371 889 HB VAL 115 HB VAL 115 7.957 0.683 -3.044 890 1HG1 VAL 115 HG11 VAL 115 9.702 0.943 -1.263 891 2HG1 VAL 115 HG13 VAL 115 10.740 -0.149 -2.179 892 3HG1 VAL 115 HG12 VAL 115 10.267 1.404 -2.869 893 1HG2 VAL 115 HG22 VAL 115 8.245 -1.264 -4.603 894 2HG2 VAL 115 HG21 VAL 115 9.381 0.049 -4.912 895 3HG2 VAL 115 HG23 VAL 115 9.917 -1.398 -4.059 896 H THR 116 HN THR 116 8.320 -3.476 -2.935 897 HA THR 116 HA THR 116 10.680 -4.230 -1.261 898 HB THR 116 HB THR 116 8.773 -6.070 -2.737 899 HG1 THR 116 HG1 THR 116 7.515 -5.896 -1.082 900 1HG2 THR 116 HG21 THR 116 11.028 -6.978 -2.247 901 2HG2 THR 116 HG23 THR 116 10.801 -6.583 -0.542 902 3HG2 THR 116 HG22 THR 116 9.774 -7.794 -1.312 903 H ARG 117 HN ARG 117 12.381 -3.539 -2.563 904 HA ARG 117 HA ARG 117 12.385 -4.104 -5.446 905 1HB ARG 117 HB2 ARG 117 14.439 -2.891 -3.577 906 2HB ARG 117 HB1 ARG 117 14.708 -3.111 -5.306 907 1HG ARG 117 HG2 ARG 117 12.730 -1.726 -5.798 908 2HG ARG 117 HG1 ARG 117 12.450 -1.508 -4.071 909 1HD ARG 117 HD2 ARG 117 14.417 -0.223 -3.795 910 2HD ARG 117 HD1 ARG 117 15.087 -0.763 -5.335 911 HE ARG 117 HE ARG 117 12.615 0.649 -5.769 912 1HH1 ARG 117 HH21 ARG 117 15.960 1.099 -4.941 913 2HH1 ARG 117 HH22 ARG 117 16.028 2.701 -5.596 914 1HH2 ARG 117 HH11 ARG 117 12.718 2.728 -6.614 915 2HH2 ARG 117 HH12 ARG 117 14.201 3.619 -6.538 916 H LEU 118 HN LEU 118 13.385 -5.830 -6.405 917 HA LEU 118 HA LEU 118 14.795 -7.752 -4.606 918 1HB LEU 118 HB2 LEU 118 12.994 -8.041 -6.947 919 2HB LEU 118 HB1 LEU 118 14.350 -9.166 -6.886 920 HG LEU 118 HG LEU 118 13.700 -9.717 -4.521 921 1HD1 LEU 118 HD11 LEU 118 12.434 -7.565 -4.173 922 2HD1 LEU 118 HD13 LEU 118 11.166 -8.206 -5.217 923 3HD1 LEU 118 HD12 LEU 118 11.540 -9.006 -3.690 924 1HD2 LEU 118 HD21 LEU 118 12.962 -11.029 -6.570 925 2HD2 LEU 118 HD23 LEU 118 11.919 -11.205 -5.159 926 3HD2 LEU 118 HD22 LEU 118 11.436 -10.151 -6.487 927 H ALA 119 HN ALA 119 16.863 -8.466 -5.153 928 HA ALA 119 HA ALA 119 18.436 -6.730 -6.869 929 1HB ALA 119 HB1 ALA 119 19.223 -7.964 -4.754 930 2HB ALA 119 HB3 ALA 119 19.321 -9.403 -5.770 931 3HB ALA 119 HB2 ALA 119 20.316 -7.994 -6.138 932 H GLY 120 HN GLY 120 17.157 -10.029 -7.125 933 1HA GLY 120 HA2 GLY 120 18.472 -10.633 -9.628 934 2HA GLY 120 HA1 GLY 120 17.103 -11.514 -8.948 935 H SER 121 HN SER 121 17.794 -10.213 -11.704 936 HA SER 121 HA SER 121 15.552 -8.336 -12.043 937 1HB SER 121 HB2 SER 121 16.317 -8.271 -14.409 938 2HB SER 121 HB1 SER 121 17.627 -7.933 -13.281 939 HG SER 121 HG SER 121 18.574 -9.506 -14.316 940 H PHE 122 HN PHE 122 13.667 -8.788 -13.236 941 HA PHE 122 HA PHE 122 13.297 -11.515 -14.326 942 1HB PHE 122 HB2 PHE 122 11.528 -10.334 -12.161 943 2HB PHE 122 HB1 PHE 122 11.188 -11.820 -13.048 944 HD1 PHE 122 HD2 PHE 122 12.710 -13.790 -12.821 945 HD2 PHE 122 HD1 PHE 122 13.152 -10.273 -10.394 946 HE1 PHE 122 HE2 PHE 122 14.138 -15.061 -11.240 947 HE2 PHE 122 HE1 PHE 122 14.580 -11.544 -8.814 948 HZ PHE 122 HZ PHE 122 15.073 -13.938 -9.237 949 H GLU 123 HN GLU 123 12.336 -11.261 -16.273 950 HA GLU 123 HA GLU 123 11.078 -8.711 -16.985 951 1HB GLU 123 HB2 GLU 123 10.780 -9.818 -19.218 952 2HB GLU 123 HB1 GLU 123 12.453 -9.823 -18.656 953 1HG GLU 123 HG2 GLU 123 12.168 -12.127 -17.819 954 2HG GLU 123 HG1 GLU 123 10.496 -12.125 -18.381 955 H GLY 124 HN GLY 124 8.878 -8.655 -17.951 956 1HA GLY 124 HA2 GLY 124 7.037 -10.854 -17.416 957 2HA GLY 124 HA1 GLY 124 6.829 -9.497 -16.308 958 H ASP 125 HN ASP 125 4.980 -8.511 -17.016 959 HA ASP 125 HA ASP 125 5.009 -7.419 -19.781 960 1HB ASP 125 HB2 ASP 125 3.642 -9.587 -19.638 961 2HB ASP 125 HB1 ASP 125 2.520 -8.682 -18.620 962 H THR 126 HN THR 126 3.675 -7.389 -16.510 963 HA THR 126 HA THR 126 2.495 -4.704 -16.974 964 HB THR 126 HB THR 126 2.452 -6.232 -14.371 965 HG1 THR 126 HG1 THR 126 0.253 -6.511 -15.933 966 1HG2 THR 126 HG21 THR 126 1.676 -3.816 -14.581 967 2HG2 THR 126 HG23 THR 126 0.390 -4.413 -15.629 968 3HG2 THR 126 HG22 THR 126 0.478 -4.946 -13.950 969 H LYS 127 HN LYS 127 3.272 -2.857 -15.934 970 HA LYS 127 HA LYS 127 5.818 -3.191 -14.394 971 1HB LYS 127 HB2 LYS 127 5.039 -1.103 -16.443 972 2HB LYS 127 HB1 LYS 127 6.393 -0.888 -15.334 973 1HG LYS 127 HG2 LYS 127 7.335 -3.065 -16.165 974 2HG LYS 127 HG1 LYS 127 6.054 -3.100 -17.377 975 1HD LYS 127 HD2 LYS 127 7.873 -0.709 -17.090 976 2HD LYS 127 HD1 LYS 127 8.325 -2.093 -18.086 977 1HE LYS 127 HE2 LYS 127 5.737 -0.546 -18.390 978 2HE LYS 127 HE1 LYS 127 7.171 -0.292 -19.385 979 1HZ LYS 127 HZ3 LYS 127 6.971 -2.854 -19.715 980 2HZ LYS 127 HZ2 LYS 127 5.344 -2.587 -19.301 981 3HZ LYS 127 HZ1 LYS 127 6.025 -1.796 -20.643 982 H MET 128 HN MET 128 6.241 -1.062 -13.083 983 HA MET 128 HA MET 128 3.766 -0.519 -11.544 984 1HB MET 128 HB2 MET 128 5.944 -1.179 -10.423 985 2HB MET 128 HB1 MET 128 6.591 0.384 -10.924 986 1HG MET 128 HG2 MET 128 5.758 0.644 -8.676 987 2HG MET 128 HG1 MET 128 4.632 1.470 -9.751 988 1HE MET 128 HE3 MET 128 2.921 1.703 -8.498 989 2HE MET 128 HE2 MET 128 1.693 0.523 -8.046 990 3HE MET 128 HE1 MET 128 3.064 0.812 -6.977 991 H ILE 129 HN ILE 129 3.083 1.653 -11.094 992 HA ILE 129 HA ILE 129 3.412 3.479 -13.327 993 HB ILE 129 HB ILE 129 1.990 5.001 -11.930 994 1HG1 ILE 129 HG12 ILE 129 1.980 2.702 -9.955 995 2HG1 ILE 129 HG11 ILE 129 2.971 4.146 -9.746 996 1HG2 ILE 129 HG21 ILE 129 1.172 2.982 -13.374 997 2HG2 ILE 129 HG23 ILE 129 0.818 2.231 -11.818 998 3HG2 ILE 129 HG22 ILE 129 0.035 3.747 -12.264 999 1HD1 ILE 129 HD12 ILE 129 0.718 5.427 -10.127 1000 2HD1 ILE 129 HD11 ILE 129 -0.024 3.888 -9.692 1001 3HD1 ILE 129 HD13 ILE 129 1.040 4.707 -8.549 1002 HA PRO 130 HA PRO 130 6.704 6.028 -11.761 1003 1HB PRO 130 HB2 PRO 130 5.840 8.499 -12.757 1004 2HB PRO 130 HB1 PRO 130 6.776 7.291 -13.648 1005 1HG PRO 130 HG2 PRO 130 4.067 8.107 -14.087 1006 2HG PRO 130 HG1 PRO 130 5.015 6.917 -14.990 1007 1HD PRO 130 HD2 PRO 130 2.936 6.471 -12.984 1008 2HD PRO 130 HD1 PRO 130 3.655 5.324 -14.127 1009 H LEU 131 HN LEU 131 6.502 6.149 -9.511 1010 HA LEU 131 HA LEU 131 4.470 7.902 -8.298 1011 1HB LEU 131 HB2 LEU 131 6.662 6.161 -7.139 1012 2HB LEU 131 HB1 LEU 131 5.600 7.163 -6.149 1013 HG LEU 131 HG LEU 131 4.562 5.123 -8.129 1014 1HD1 LEU 131 HD11 LEU 131 5.931 4.031 -6.361 1015 2HD1 LEU 131 HD13 LEU 131 4.945 4.825 -5.134 1016 3HD1 LEU 131 HD12 LEU 131 4.220 3.634 -6.213 1017 1HD2 LEU 131 HD23 LEU 131 3.366 6.773 -5.893 1018 2HD2 LEU 131 HD22 LEU 131 2.891 6.740 -7.590 1019 3HD2 LEU 131 HD21 LEU 131 2.549 5.356 -6.552 1020 H ASN 132 HN ASN 132 4.931 9.849 -7.230 1021 HA ASN 132 HA ASN 132 7.304 11.275 -8.149 1022 1HB ASN 132 HB2 ASN 132 4.914 12.216 -7.698 1023 2HB ASN 132 HB1 ASN 132 5.432 12.278 -6.012 1024 1HD2 ASN 132 HD22 ASN 132 8.163 14.625 -6.890 1025 2HD2 ASN 132 HD21 ASN 132 8.029 13.129 -6.098 1026 H TRP 133 HN TRP 133 8.955 9.922 -7.136 1027 HA TRP 133 HA TRP 133 9.092 9.611 -4.261 1028 1HB TRP 133 HB2 TRP 133 11.252 9.382 -6.378 1029 2HB TRP 133 HB1 TRP 133 11.418 8.860 -4.702 1030 HD1 TRP 133 HD1 TRP 133 9.946 7.852 -8.017 1031 HE1 TRP 133 HE1 TRP 133 8.873 5.516 -7.809 1032 HE3 TRP 133 HE3 TRP 133 10.143 7.236 -2.950 1033 HZ2 TRP 133 HZ2 TRP 133 8.190 3.636 -5.765 1034 HZ3 TRP 133 HZ3 TRP 133 9.276 5.166 -1.901 1035 HH2 TRP 133 HH2 TRP 133 8.301 3.366 -3.300 1036 H ASP 134 HN ASP 134 9.868 12.180 -6.427 1037 HA ASP 134 HA ASP 134 11.900 13.450 -4.785 1038 1HB ASP 134 HB2 ASP 134 11.500 13.830 -7.281 1039 2HB ASP 134 HB1 ASP 134 10.116 14.817 -6.809 1040 H ASP 135 HN ASP 135 8.887 12.803 -3.906 1041 HA ASP 135 HA ASP 135 8.527 15.424 -2.507 1042 1HB ASP 135 HB2 ASP 135 6.515 13.593 -3.798 1043 2HB ASP 135 HB1 ASP 135 6.033 14.632 -2.456 1044 H PHE 136 HN PHE 136 8.391 11.913 -2.334 1045 HA PHE 136 HA PHE 136 7.535 11.889 0.467 1046 1HB PHE 136 HB2 PHE 136 8.549 9.731 -1.402 1047 2HB PHE 136 HB1 PHE 136 8.081 9.423 0.270 1048 HD1 PHE 136 HD2 PHE 136 5.725 9.893 1.013 1049 HD2 PHE 136 HD1 PHE 136 6.910 10.053 -3.113 1050 HE1 PHE 136 HE2 PHE 136 3.347 9.766 0.325 1051 HE2 PHE 136 HE1 PHE 136 4.531 9.927 -3.801 1052 HZ PHE 136 HZ PHE 136 2.749 9.784 -2.082 1053 H THR 137 HN THR 137 9.010 10.531 2.015 1054 HA THR 137 HA THR 137 11.892 11.109 1.572 1055 HB THR 137 HB THR 137 10.598 11.790 4.210 1056 HG1 THR 137 HG1 THR 137 9.654 13.011 2.467 1057 1HG2 THR 137 HG21 THR 137 13.201 12.380 2.811 1058 2HG2 THR 137 HG23 THR 137 12.642 13.379 4.153 1059 3HG2 THR 137 HG22 THR 137 12.944 11.659 4.401 1060 H LYS 138 HN LYS 138 12.964 9.247 1.976 1061 HA LYS 138 HA LYS 138 11.728 6.968 3.222 1062 1HB LYS 138 HB2 LYS 138 13.678 7.002 1.540 1063 2HB LYS 138 HB1 LYS 138 14.710 7.366 2.924 1064 1HG LYS 138 HG2 LYS 138 14.264 5.304 3.960 1065 2HG LYS 138 HG1 LYS 138 12.799 5.040 3.014 1066 1HD LYS 138 HD2 LYS 138 14.435 3.583 2.070 1067 2HD LYS 138 HD1 LYS 138 14.317 4.946 0.956 1068 1HE LYS 138 HE2 LYS 138 16.338 5.907 1.740 1069 2HE LYS 138 HE1 LYS 138 16.348 4.903 3.190 1070 1HZ LYS 138 HZ1 LYS 138 16.377 3.562 0.590 1071 2HZ LYS 138 HZ3 LYS 138 17.807 4.316 1.104 1072 3HZ LYS 138 HZ2 LYS 138 17.099 3.100 2.057 1073 H VAL 139 HN VAL 139 12.330 5.972 5.258 1074 HA VAL 139 HA VAL 139 13.683 7.771 7.211 1075 HB VAL 139 HB VAL 139 11.913 7.184 8.890 1076 1HG1 VAL 139 HG11 VAL 139 11.133 8.645 6.356 1077 2HG1 VAL 139 HG13 VAL 139 10.124 8.641 7.803 1078 3HG1 VAL 139 HG12 VAL 139 11.743 9.339 7.858 1079 1HG2 VAL 139 HG21 VAL 139 10.514 6.089 6.427 1080 2HG2 VAL 139 HG23 VAL 139 11.088 5.138 7.796 1081 3HG2 VAL 139 HG22 VAL 139 9.771 6.289 8.013 1082 H SER 140 HN SER 140 12.567 4.535 6.341 1083 HA SER 140 HA SER 140 14.864 3.394 7.814 1084 1HB SER 140 HB2 SER 140 12.769 3.447 9.320 1085 2HB SER 140 HB1 SER 140 12.110 2.228 8.234 1086 HG SER 140 HG SER 140 14.708 1.864 9.179 1087 H SER 141 HN SER 141 15.098 1.018 7.259 1088 HA SER 141 HA SER 141 13.651 0.047 4.903 1089 1HB SER 141 HB2 SER 141 15.395 1.624 3.977 1090 2HB SER 141 HB1 SER 141 16.627 0.573 4.669 1091 HG SER 141 HG SER 141 14.581 -0.389 2.966 1092 H ARG 142 HN ARG 142 13.397 -2.078 5.344 1093 HA ARG 142 HA ARG 142 15.329 -3.433 7.135 1094 1HB ARG 142 HB2 ARG 142 12.780 -3.587 7.395 1095 2HB ARG 142 HB1 ARG 142 12.806 -4.616 5.962 1096 1HG ARG 142 HG2 ARG 142 14.109 -6.276 7.035 1097 2HG ARG 142 HG1 ARG 142 14.588 -5.180 8.333 1098 1HD ARG 142 HD2 ARG 142 12.133 -5.068 8.988 1099 2HD ARG 142 HD1 ARG 142 11.857 -6.396 7.861 1100 HE ARG 142 HE ARG 142 13.076 -6.622 10.483 1101 1HH1 ARG 142 HH21 ARG 142 13.053 -7.895 7.250 1102 2HH1 ARG 142 HH22 ARG 142 13.624 -9.457 7.733 1103 1HH2 ARG 142 HH11 ARG 142 13.817 -8.653 11.097 1104 2HH2 ARG 142 HH12 ARG 142 14.053 -9.884 9.902 1105 H THR 143 HN THR 143 17.080 -4.229 6.058 1106 HA THR 143 HA THR 143 16.781 -5.262 3.304 1107 HB THR 143 HB THR 143 19.312 -5.263 4.954 1108 HG1 THR 143 HG1 THR 143 18.550 -3.177 5.030 1109 1HG2 THR 143 HG23 THR 143 18.613 -5.288 2.020 1110 2HG2 THR 143 HG22 THR 143 20.219 -4.826 2.580 1111 3HG2 THR 143 HG21 THR 143 19.598 -6.441 2.921 1112 H VAL 144 HN VAL 144 17.055 -7.435 2.755 1113 HA VAL 144 HA VAL 144 17.679 -9.374 4.909 1114 HB VAL 144 HB VAL 144 15.222 -9.121 4.955 1115 1HG1 VAL 144 HG13 VAL 144 15.003 -8.385 2.573 1116 2HG1 VAL 144 HG12 VAL 144 15.303 -10.050 2.071 1117 3HG1 VAL 144 HG11 VAL 144 13.865 -9.658 3.012 1118 1HG2 VAL 144 HG21 VAL 144 16.406 -11.385 5.231 1119 2HG2 VAL 144 HG23 VAL 144 14.685 -11.438 4.855 1120 3HG2 VAL 144 HG22 VAL 144 15.874 -11.739 3.588 1121 H GLU 145 HN GLU 145 18.873 -11.069 4.123 1122 HA GLU 145 HA GLU 145 19.174 -11.252 1.152 1123 1HB GLU 145 HB2 GLU 145 21.113 -11.877 3.397 1124 2HB GLU 145 HB1 GLU 145 21.406 -12.308 1.711 1125 1HG GLU 145 HG2 GLU 145 21.059 -9.870 1.127 1126 2HG GLU 145 HG1 GLU 145 21.050 -9.528 2.858 1127 H ASP 146 HN ASP 146 18.260 -13.044 0.299 1128 HA ASP 146 HA ASP 146 17.448 -15.277 2.014 1129 1HB ASP 146 HB2 ASP 146 16.347 -14.232 -0.212 1130 2HB ASP 146 HB1 ASP 146 17.310 -15.511 -0.951 1131 H THR 147 HN THR 147 17.865 -17.536 0.617 1132 HA THR 147 HA THR 147 20.616 -18.162 1.096 1133 HB THR 147 HB THR 147 20.047 -20.269 -0.237 1134 HG1 THR 147 HG1 THR 147 18.391 -19.146 -1.461 1135 1HG2 THR 147 HG21 THR 147 19.716 -19.866 2.282 1136 2HG2 THR 147 HG23 THR 147 18.010 -19.636 1.898 1137 3HG2 THR 147 HG22 THR 147 18.790 -21.180 1.556 1138 H ASN 148 HN ASN 148 18.827 -17.417 -1.887 1139 HA ASN 148 HA ASN 148 21.314 -17.607 -3.475 1140 1HB ASN 148 HB2 ASN 148 18.698 -18.164 -4.082 1141 2HB ASN 148 HB1 ASN 148 18.868 -16.544 -4.758 1142 1HD2 ASN 148 HD22 ASN 148 20.316 -18.004 -7.623 1143 2HD2 ASN 148 HD21 ASN 148 19.103 -17.001 -6.986 1144 HA PRO 149 HA PRO 149 22.098 -13.226 -3.356 1145 1HB PRO 149 HB2 PRO 149 23.379 -13.029 -5.851 1146 2HB PRO 149 HB1 PRO 149 24.148 -13.411 -4.306 1147 1HG PRO 149 HG2 PRO 149 23.775 -15.129 -6.556 1148 2HG PRO 149 HG1 PRO 149 24.536 -15.508 -5.005 1149 1HD PRO 149 HD2 PRO 149 21.879 -16.234 -5.974 1150 2HD PRO 149 HD1 PRO 149 22.775 -16.864 -4.582 1151 H ALA 150 HN ALA 150 20.437 -14.630 -6.094 1152 HA ALA 150 HA ALA 150 19.626 -12.029 -7.196 1153 1HB ALA 150 HB1 ALA 150 19.046 -14.906 -7.877 1154 2HB ALA 150 HB3 ALA 150 18.090 -13.608 -8.591 1155 3HB ALA 150 HB2 ALA 150 19.831 -13.674 -8.866 1156 H LEU 151 HN LEU 151 18.441 -14.339 -4.891 1157 HA LEU 151 HA LEU 151 15.685 -13.295 -4.973 1158 1HB LEU 151 HB2 LEU 151 17.102 -15.406 -3.346 1159 2HB LEU 151 HB1 LEU 151 15.482 -14.853 -2.917 1160 HG LEU 151 HG LEU 151 16.141 -15.752 -5.721 1161 1HD1 LEU 151 HD13 LEU 151 16.694 -17.553 -4.039 1162 2HD1 LEU 151 HD12 LEU 151 15.012 -17.492 -3.512 1163 3HD1 LEU 151 HD11 LEU 151 15.402 -17.983 -5.160 1164 1HD2 LEU 151 HD22 LEU 151 13.679 -15.214 -4.081 1165 2HD2 LEU 151 HD21 LEU 151 14.065 -14.677 -5.716 1166 3HD2 LEU 151 HD23 LEU 151 13.594 -16.352 -5.426 1167 H THR 152 HN THR 152 18.211 -11.710 -4.107 1168 HA THR 152 HA THR 152 17.609 -11.082 -1.296 1169 HB THR 152 HB THR 152 19.398 -9.274 -1.744 1170 HG1 THR 152 HG1 THR 152 20.406 -10.664 -3.818 1171 1HG2 THR 152 HG23 THR 152 19.670 -11.659 -0.750 1172 2HG2 THR 152 HG22 THR 152 20.375 -12.063 -2.316 1173 3HG2 THR 152 HG21 THR 152 21.115 -10.817 -1.311 1174 H HIS 153 HN HIS 153 16.705 -9.109 -0.584 1175 HA HIS 153 HA HIS 153 15.912 -7.053 -2.513 1176 1HB HIS 153 HB2 HIS 153 13.470 -7.269 -1.965 1177 2HB HIS 153 HB1 HIS 153 14.103 -8.628 -2.894 1178 HD1 HIS 153 HD1 HIS 153 14.931 -10.735 -1.294 1179 HD2 HIS 153 HD2 HIS 153 12.186 -8.062 0.349 1180 HE1 HIS 153 HE1 HIS 153 13.878 -11.914 0.685 1181 H THR 154 HN THR 154 14.546 -5.335 -1.300 1182 HA THR 154 HA THR 154 15.140 -5.295 1.615 1183 HB THR 154 HB THR 154 15.757 -2.948 -0.197 1184 HG1 THR 154 HG1 THR 154 17.908 -3.568 0.039 1185 1HG2 THR 154 HG23 THR 154 15.242 -2.843 2.401 1186 2HG2 THR 154 HG22 THR 154 16.908 -3.410 2.526 1187 3HG2 THR 154 HG21 THR 154 16.552 -1.891 1.705 1188 H TYR 155 HN TYR 155 13.452 -4.446 2.764 1189 HA TYR 155 HA TYR 155 11.106 -3.485 1.248 1190 1HB TYR 155 HB2 TYR 155 11.491 -4.060 4.203 1191 2HB TYR 155 HB1 TYR 155 9.959 -3.615 3.452 1192 HD1 TYR 155 HD2 TYR 155 8.847 -5.136 1.849 1193 HD2 TYR 155 HD1 TYR 155 12.447 -6.264 3.904 1194 HE1 TYR 155 HE2 TYR 155 8.460 -7.506 1.229 1195 HE2 TYR 155 HE1 TYR 155 12.060 -8.633 3.283 1196 HH TYR 155 HH TYR 155 10.862 -10.000 1.913 1197 H GLU 156 HN GLU 156 11.568 -1.367 0.631 1198 HA GLU 156 HA GLU 156 12.727 0.557 2.497 1199 1HB GLU 156 HB2 GLU 156 11.516 0.789 -0.267 1200 2HB GLU 156 HB1 GLU 156 12.074 2.197 0.640 1201 1HG GLU 156 HG2 GLU 156 14.319 1.182 0.831 1202 2HG GLU 156 HG1 GLU 156 13.763 -0.213 -0.095 1203 H VAL 157 HN VAL 157 11.627 2.193 3.606 1204 HA VAL 157 HA VAL 157 8.640 2.114 3.469 1205 HB VAL 157 HB VAL 157 10.290 2.472 5.989 1206 1HG1 VAL 157 HG11 VAL 157 8.038 3.561 5.928 1207 2HG1 VAL 157 HG13 VAL 157 7.322 1.986 5.588 1208 3HG1 VAL 157 HG12 VAL 157 8.143 2.269 7.124 1209 1HG2 VAL 157 HG22 VAL 157 9.033 0.066 4.695 1210 2HG2 VAL 157 HG21 VAL 157 10.591 0.203 5.510 1211 3HG2 VAL 157 HG23 VAL 157 9.102 0.167 6.454 1212 H TRP 158 HN TRP 158 8.227 4.044 2.459 1213 HA TRP 158 HA TRP 158 9.713 6.466 3.364 1214 1HB TRP 158 HB2 TRP 158 7.969 5.976 0.931 1215 2HB TRP 158 HB1 TRP 158 8.727 7.520 1.321 1216 HD1 TRP 158 HD1 TRP 158 9.934 3.843 1.047 1217 HE1 TRP 158 HE1 TRP 158 12.201 3.841 -0.180 1218 HE3 TRP 158 HE3 TRP 158 10.520 8.856 0.269 1219 HZ2 TRP 158 HZ2 TRP 158 14.022 5.717 -1.340 1220 HZ3 TRP 158 HZ3 TRP 158 12.528 9.720 -0.899 1221 HH2 TRP 158 HH2 TRP 158 14.278 8.159 -1.703 1222 H GLN 159 HN GLN 159 8.324 8.490 3.516 1223 HA GLN 159 HA GLN 159 5.514 7.961 4.309 1224 1HB GLN 159 HB2 GLN 159 7.647 9.145 6.103 1225 2HB GLN 159 HB1 GLN 159 5.921 9.368 6.398 1226 1HG GLN 159 HG2 GLN 159 5.700 6.833 6.301 1227 2HG GLN 159 HG1 GLN 159 7.462 6.765 6.339 1228 1HE2 GLN 159 HE22 GLN 159 5.625 8.366 9.663 1229 2HE2 GLN 159 HE21 GLN 159 4.977 8.693 8.129 1230 H LYS 160 HN LYS 160 4.180 9.687 3.832 1231 HA LYS 160 HA LYS 160 5.256 11.828 2.189 1232 1HB LYS 160 HB2 LYS 160 2.923 10.726 2.037 1233 2HB LYS 160 HB1 LYS 160 2.484 11.775 3.385 1234 1HG LYS 160 HG2 LYS 160 3.389 13.715 1.982 1235 2HG LYS 160 HG1 LYS 160 3.408 12.589 0.624 1236 1HD LYS 160 HD2 LYS 160 0.991 12.145 0.983 1237 2HD LYS 160 HD1 LYS 160 0.984 13.329 2.290 1238 1HE LYS 160 HE2 LYS 160 1.890 15.007 0.586 1239 2HE LYS 160 HE1 LYS 160 1.482 13.817 -0.651 1240 1HZ LYS 160 HZ1 LYS 160 -0.586 14.421 1.305 1241 2HZ LYS 160 HZ3 LYS 160 -0.221 15.653 0.198 1242 3HZ LYS 160 HZ2 LYS 160 -0.717 14.128 -0.363 1243 H LYS 161 HN LYS 161 6.475 13.353 3.229 1244 HA LYS 161 HA LYS 161 5.173 15.051 5.227 1245 1HB LYS 161 HB2 LYS 161 6.240 13.048 6.471 1246 2HB LYS 161 HB1 LYS 161 7.787 13.776 6.038 1247 1HG LYS 161 HG2 LYS 161 7.084 15.889 7.124 1248 2HG LYS 161 HG1 LYS 161 5.560 15.132 7.589 1249 1HD LYS 161 HD2 LYS 161 6.683 13.544 9.000 1250 2HD LYS 161 HD1 LYS 161 8.263 14.020 8.377 1251 1HE LYS 161 HE2 LYS 161 6.447 15.992 9.767 1252 2HE LYS 161 HE1 LYS 161 7.583 14.984 10.664 1253 1HZ LYS 161 HZ1 LYS 161 9.310 15.849 9.045 1254 2HZ LYS 161 HZ3 LYS 161 8.172 17.028 8.610 1255 3HZ LYS 161 HZ2 LYS 161 8.737 16.945 10.210 1256 H ALA 162 HN ALA 162 6.369 17.041 5.555 1257 HA ALA 162 HA ALA 162 8.849 17.456 4.027 1258 1HB ALA 162 HB1 ALA 162 7.075 17.753 2.319 1259 2HB ALA 162 HB3 ALA 162 6.317 18.979 3.335 1260 3HB ALA 162 HB2 ALA 162 7.917 19.267 2.649 1261 1H9 TMQ 170 H91 TMQ 170 0.212 -10.354 -6.284 1262 2H9 TMQ 170 H92 TMQ 170 -0.726 -11.123 -4.996 1263 HN1 TMQ 170 H1N TMQ 170 1.414 -12.351 -6.556 1264 1H17 TMQ 170 HM1 TMQ 170 -0.992 -9.001 -4.967 1265 2H17 TMQ 170 HM2 TMQ 170 -0.281 -7.417 -4.660 1266 3H17 TMQ 170 HM3 TMQ 170 -1.160 -8.259 -3.377 1267 1H21 TMQ 170 HW11 TMQ 170 -1.249 -13.680 -0.192 1268 2H21 TMQ 170 HW12 TMQ 170 -1.423 -12.643 -1.617 1269 3H21 TMQ 170 HW13 TMQ 170 0.139 -13.396 -1.254 1270 1H22 TMQ 170 HI1 TMQ 170 0.465 -16.991 -2.018 1271 2H22 TMQ 170 HI2 TMQ 170 -0.227 -18.589 -2.335 1272 3H22 TMQ 170 HI3 TMQ 170 0.866 -17.847 -3.515 1273 1H23 TMQ 170 HW21 TMQ 170 0.811 -16.487 -7.796 1274 2H23 TMQ 170 HW22 TMQ 170 1.211 -18.167 -7.407 1275 3H23 TMQ 170 HW23 TMQ 170 2.048 -16.844 -6.579 1276 1HN2 TMQ 170 HN21 TMQ 170 4.247 -6.122 0.507 1277 2HN2 TMQ 170 HN22 TMQ 170 5.235 -7.524 0.264 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.279 -6.550 -2.872 1279 2HN5 TMQ 170 HN42 TMQ 170 0.381 -5.477 -1.717 1280 HN TMQ 170 H1 TMQ 170 4.587 -9.128 -1.230 1281 H7 TMQ 170 H7 TMQ 170 2.608 -11.918 -4.415 1282 H8 TMQ 170 H8 TMQ 170 4.113 -10.941 -2.744 1283 H12 TMQ 170 HP2 TMQ 170 -0.358 -12.490 -3.401 1284 H16 TMQ 170 HP6 TMQ 170 0.878 -14.695 -6.906 No H/Q in entry = 1284 Start of MODEL 6 1 1H THR 1 HT2 THR 1 -3.506 5.910 5.117 2 2H THR 1 HT1 THR 1 -3.030 7.077 3.977 3 3H THR 1 HT3 THR 1 -4.674 6.720 4.187 4 HA THR 1 HA THR 1 -4.351 4.495 3.339 5 HB THR 1 HB THR 1 -3.027 6.468 1.466 6 HG1 THR 1 HG1 THR 1 -5.626 6.436 1.121 7 1HG2 THR 1 HG21 THR 1 -3.285 4.056 0.794 8 2HG2 THR 1 HG23 THR 1 -5.030 4.255 0.956 9 3HG2 THR 1 HG22 THR 1 -4.144 5.187 -0.251 10 H ALA 2 HN ALA 2 -2.899 2.892 2.530 11 HA ALA 2 HA ALA 2 0.008 3.473 2.892 12 1HB ALA 2 HB1 ALA 2 -1.536 1.104 3.985 13 2HB ALA 2 HB3 ALA 2 0.225 1.181 3.918 14 3HB ALA 2 HB2 ALA 2 -0.671 2.328 4.914 15 H PHE 3 HN PHE 3 1.062 2.960 1.047 16 HA PHE 3 HA PHE 3 -0.247 1.163 -0.913 17 1HB PHE 3 HB2 PHE 3 1.996 3.164 -1.033 18 2HB PHE 3 HB1 PHE 3 1.846 1.937 -2.290 19 HD1 PHE 3 HD2 PHE 3 -0.591 4.042 -0.348 20 HD2 PHE 3 HD1 PHE 3 0.806 2.752 -4.200 21 HE1 PHE 3 HE2 PHE 3 -2.377 5.372 -1.441 22 HE2 PHE 3 HE1 PHE 3 -0.978 4.082 -5.292 23 HZ PHE 3 HZ PHE 3 -2.569 5.392 -3.913 24 H LEU 4 HN LEU 4 0.872 -0.668 -1.795 25 HA LEU 4 HA LEU 4 3.449 -1.510 -0.723 26 1HB LEU 4 HB2 LEU 4 1.891 -2.056 1.161 27 2HB LEU 4 HB1 LEU 4 0.984 -3.096 0.063 28 HG LEU 4 HG LEU 4 3.259 -4.249 -0.396 29 1HD1 LEU 4 HD11 LEU 4 3.836 -2.619 2.081 30 2HD1 LEU 4 HD13 LEU 4 4.713 -4.109 1.727 31 3HD1 LEU 4 HD12 LEU 4 4.799 -2.748 0.609 32 1HD2 LEU 4 HD21 LEU 4 1.703 -4.435 2.188 33 2HD2 LEU 4 HD23 LEU 4 1.591 -5.476 0.769 34 3HD2 LEU 4 HD22 LEU 4 3.011 -5.557 1.812 35 H TRP 5 HN TRP 5 4.283 -2.221 -2.634 36 HA TRP 5 HA TRP 5 2.773 -4.310 -4.108 37 1HB TRP 5 HB2 TRP 5 3.247 -3.223 -6.270 38 2HB TRP 5 HB1 TRP 5 2.269 -2.175 -5.245 39 HD1 TRP 5 HD1 TRP 5 5.366 -2.211 -7.232 40 HE1 TRP 5 HE1 TRP 5 6.781 -0.109 -6.768 41 HE3 TRP 5 HE3 TRP 5 2.994 -0.446 -3.064 42 HZ2 TRP 5 HZ2 TRP 5 6.897 2.035 -4.881 43 HZ3 TRP 5 HZ3 TRP 5 3.781 1.625 -1.955 44 HH2 TRP 5 HH2 TRP 5 5.726 2.867 -2.858 45 H ALA 6 HN ALA 6 4.104 -5.889 -4.980 46 HA ALA 6 HA ALA 6 6.962 -5.742 -4.228 47 1HB ALA 6 HB2 ALA 6 5.599 -7.789 -3.738 48 2HB ALA 6 HB1 ALA 6 5.416 -8.035 -5.474 49 3HB ALA 6 HB3 ALA 6 7.014 -8.124 -4.735 50 H GLN 7 HN GLN 7 8.218 -4.710 -5.717 51 HA GLN 7 HA GLN 7 7.876 -5.491 -8.582 52 1HB GLN 7 HB2 GLN 7 8.548 -3.151 -9.178 53 2HB GLN 7 HB1 GLN 7 6.999 -3.234 -8.338 54 1HG GLN 7 HG2 GLN 7 7.935 -2.474 -6.298 55 2HG GLN 7 HG1 GLN 7 9.583 -2.794 -6.841 56 1HE2 GLN 7 HE22 GLN 7 9.925 0.516 -7.960 57 2HE2 GLN 7 HE21 GLN 7 10.629 -0.840 -7.220 58 H ASP 8 HN ASP 8 9.823 -5.692 -9.759 59 HA ASP 8 HA ASP 8 12.244 -5.980 -8.067 60 1HB ASP 8 HB2 ASP 8 13.186 -7.078 -10.146 61 2HB ASP 8 HB1 ASP 8 11.782 -7.893 -9.459 62 H ARG 9 HN ARG 9 14.357 -5.284 -9.205 63 HA ARG 9 HA ARG 9 14.322 -2.466 -9.626 64 1HB ARG 9 HB2 ARG 9 16.673 -2.793 -10.433 65 2HB ARG 9 HB1 ARG 9 16.351 -3.591 -8.893 66 1HG ARG 9 HG2 ARG 9 16.263 -5.728 -9.875 67 2HG ARG 9 HG1 ARG 9 16.004 -5.074 -11.493 68 1HD ARG 9 HD2 ARG 9 18.543 -4.498 -9.972 69 2HD ARG 9 HD1 ARG 9 18.367 -5.970 -10.927 70 HE ARG 9 HE ARG 9 17.712 -3.492 -12.364 71 1HH1 ARG 9 HH21 ARG 9 20.121 -5.852 -11.526 72 2HH1 ARG 9 HH22 ARG 9 21.128 -5.480 -12.886 73 1HH2 ARG 9 HH11 ARG 9 19.027 -3.021 -14.124 74 2HH2 ARG 9 HH12 ARG 9 20.510 -3.886 -14.349 75 H ASP 10 HN ASP 10 13.644 -5.070 -11.779 76 HA ASP 10 HA ASP 10 14.306 -3.646 -14.240 77 1HB ASP 10 HB2 ASP 10 12.861 -6.197 -13.568 78 2HB ASP 10 HB1 ASP 10 12.759 -5.530 -15.198 79 H GLY 11 HN GLY 11 12.233 -2.669 -12.075 80 1HA GLY 11 HA2 GLY 11 10.285 -1.365 -12.133 81 2HA GLY 11 HA1 GLY 11 10.565 -1.199 -13.866 82 H LEU 12 HN LEU 12 10.074 -4.253 -12.151 83 HA LEU 12 HA LEU 12 7.615 -4.669 -13.797 84 1HB LEU 12 HB2 LEU 12 9.753 -6.234 -13.860 85 2HB LEU 12 HB1 LEU 12 9.031 -6.911 -12.400 86 HG LEU 12 HG LEU 12 6.847 -7.050 -13.769 87 1HD1 LEU 12 HD11 LEU 12 7.722 -5.581 -15.609 88 2HD1 LEU 12 HD13 LEU 12 8.843 -6.872 -16.045 89 3HD1 LEU 12 HD12 LEU 12 7.103 -7.130 -16.182 90 1HD2 LEU 12 HD21 LEU 12 8.600 -8.910 -13.169 91 2HD2 LEU 12 HD23 LEU 12 7.368 -9.249 -14.384 92 3HD2 LEU 12 HD22 LEU 12 9.006 -8.824 -14.883 93 H ILE 13 HN ILE 13 5.953 -6.111 -12.679 94 HA ILE 13 HA ILE 13 5.935 -5.809 -9.723 95 HB ILE 13 HB ILE 13 3.568 -4.979 -9.839 96 1HG1 ILE 13 HG12 ILE 13 4.218 -4.495 -12.762 97 2HG1 ILE 13 HG11 ILE 13 3.201 -5.819 -12.193 98 1HG2 ILE 13 HG21 ILE 13 5.739 -3.316 -11.147 99 2HG2 ILE 13 HG23 ILE 13 4.203 -2.657 -10.584 100 3HG2 ILE 13 HG22 ILE 13 5.330 -3.372 -9.432 101 1HD1 ILE 13 HD13 ILE 13 1.882 -3.938 -10.947 102 2HD1 ILE 13 HD12 ILE 13 2.673 -2.859 -12.097 103 3HD1 ILE 13 HD11 ILE 13 1.625 -4.153 -12.678 104 H GLY 14 HN GLY 14 4.686 -7.299 -12.649 105 1HA GLY 14 HA2 GLY 14 4.161 -9.780 -11.186 106 2HA GLY 14 HA1 GLY 14 2.710 -9.014 -11.834 107 H LYS 15 HN LYS 15 2.740 -11.174 -13.062 108 HA LYS 15 HA LYS 15 3.491 -10.699 -15.788 109 1HB LYS 15 HB2 LYS 15 5.748 -11.219 -14.718 110 2HB LYS 15 HB1 LYS 15 5.139 -12.850 -14.440 111 1HG LYS 15 HG2 LYS 15 4.645 -13.020 -16.896 112 2HG LYS 15 HG1 LYS 15 5.440 -11.460 -17.116 113 1HD LYS 15 HD2 LYS 15 7.544 -12.319 -16.375 114 2HD LYS 15 HD1 LYS 15 6.804 -13.804 -15.777 115 1HE LYS 15 HE2 LYS 15 6.212 -14.460 -18.065 116 2HE LYS 15 HE1 LYS 15 6.887 -12.954 -18.687 117 1HZ LYS 15 HZ1 LYS 15 8.602 -14.628 -17.014 118 2HZ LYS 15 HZ3 LYS 15 8.291 -15.158 -18.594 119 3HZ LYS 15 HZ2 LYS 15 9.006 -13.639 -18.335 120 H ASP 16 HN ASP 16 1.779 -11.670 -16.744 121 HA ASP 16 HA ASP 16 0.147 -13.268 -17.268 122 1HB ASP 16 HB2 ASP 16 2.475 -14.850 -16.300 123 2HB ASP 16 HB1 ASP 16 0.926 -15.692 -16.369 124 H GLY 17 HN GLY 17 -0.075 -11.798 -14.778 125 1HA GLY 17 HA2 GLY 17 -1.782 -11.851 -13.114 126 2HA GLY 17 HA1 GLY 17 -1.980 -13.580 -13.407 127 H HIS 18 HN HIS 18 0.236 -14.808 -12.862 128 HA HIS 18 HA HIS 18 0.686 -14.336 -10.012 129 1HB HIS 18 HB2 HIS 18 2.194 -16.333 -10.214 130 2HB HIS 18 HB1 HIS 18 0.559 -16.632 -10.802 131 HD1 HIS 18 HD1 HIS 18 4.088 -16.100 -12.006 132 HD2 HIS 18 HD2 HIS 18 0.361 -17.083 -13.592 133 HE1 HIS 18 HE1 HIS 18 4.498 -16.835 -14.396 134 H LEU 19 HN LEU 19 3.067 -14.404 -9.227 135 HA LEU 19 HA LEU 19 4.468 -12.169 -10.490 136 1HB LEU 19 HB2 LEU 19 5.029 -13.889 -8.066 137 2HB LEU 19 HB1 LEU 19 6.154 -12.650 -8.622 138 HG LEU 19 HG LEU 19 3.248 -12.000 -8.159 139 1HD1 LEU 19 HD13 LEU 19 5.501 -12.046 -6.132 140 2HD1 LEU 19 HD12 LEU 19 3.985 -11.180 -5.890 141 3HD1 LEU 19 HD11 LEU 19 3.980 -12.936 -6.052 142 1HD2 LEU 19 HD21 LEU 19 5.835 -10.528 -8.522 143 2HD2 LEU 19 HD23 LEU 19 4.254 -10.200 -9.233 144 3HD2 LEU 19 HD22 LEU 19 4.568 -9.779 -7.549 145 HA PRO 20 HA PRO 20 7.353 -14.594 -12.865 146 1HB PRO 20 HB2 PRO 20 9.455 -12.758 -12.897 147 2HB PRO 20 HB1 PRO 20 8.072 -12.760 -13.999 148 1HG PRO 20 HG2 PRO 20 8.709 -10.862 -11.939 149 2HG PRO 20 HG1 PRO 20 7.377 -10.823 -13.101 150 1HD PRO 20 HD2 PRO 20 7.320 -11.548 -10.280 151 2HD PRO 20 HD1 PRO 20 5.968 -11.242 -11.383 152 H TRP 21 HN TRP 21 8.345 -13.269 -9.772 153 HA TRP 21 HA TRP 21 10.564 -15.265 -9.635 154 1HB TRP 21 HB2 TRP 21 11.377 -13.874 -7.712 155 2HB TRP 21 HB1 TRP 21 11.329 -12.991 -9.236 156 HD1 TRP 21 HD1 TRP 21 9.374 -13.390 -5.955 157 HE1 TRP 21 HE1 TRP 21 7.943 -11.276 -5.594 158 HE3 TRP 21 HE3 TRP 21 10.246 -10.968 -10.366 159 HZ2 TRP 21 HZ2 TRP 21 7.259 -8.875 -6.991 160 HZ3 TRP 21 HZ3 TRP 21 9.193 -8.772 -10.825 161 HH2 TRP 21 HH2 TRP 21 7.702 -7.723 -9.144 162 H HIS 22 HN HIS 22 10.840 -16.307 -7.461 163 HA HIS 22 HA HIS 22 8.177 -16.796 -6.184 164 1HB HIS 22 HB2 HIS 22 9.300 -18.715 -7.469 165 2HB HIS 22 HB1 HIS 22 10.505 -18.726 -6.181 166 HD1 HIS 22 HD1 HIS 22 6.681 -18.547 -6.230 167 HD2 HIS 22 HD2 HIS 22 9.761 -20.587 -4.298 168 HE1 HIS 22 HE1 HIS 22 5.575 -20.116 -4.579 169 H LEU 23 HN LEU 23 8.532 -15.110 -4.623 170 HA LEU 23 HA LEU 23 10.793 -15.584 -2.730 171 1HB LEU 23 HB2 LEU 23 10.464 -13.297 -3.855 172 2HB LEU 23 HB1 LEU 23 9.033 -13.127 -2.838 173 HG LEU 23 HG LEU 23 10.470 -13.546 -0.831 174 1HD1 LEU 23 HD13 LEU 23 12.582 -13.618 -2.983 175 2HD1 LEU 23 HD12 LEU 23 12.988 -13.153 -1.331 176 3HD1 LEU 23 HD11 LEU 23 12.322 -14.753 -1.658 177 1HD2 LEU 23 HD21 LEU 23 10.043 -11.224 -2.145 178 2HD2 LEU 23 HD23 LEU 23 10.996 -11.314 -0.664 179 3HD2 LEU 23 HD22 LEU 23 11.804 -11.281 -2.231 180 HA PRO 24 HA PRO 24 7.070 -17.552 -0.672 181 1HB PRO 24 HB2 PRO 24 9.106 -18.625 1.116 182 2HB PRO 24 HB1 PRO 24 7.984 -19.490 0.059 183 1HG PRO 24 HG2 PRO 24 10.778 -19.009 -0.334 184 2HG PRO 24 HG1 PRO 24 9.663 -19.909 -1.368 185 1HD PRO 24 HD2 PRO 24 10.859 -17.445 -1.976 186 2HD PRO 24 HD1 PRO 24 9.510 -18.198 -2.840 187 H ASP 25 HN ASP 25 9.898 -15.895 0.699 188 HA ASP 25 HA ASP 25 8.805 -15.371 3.288 189 1HB ASP 25 HB2 ASP 25 11.229 -14.987 2.247 190 2HB ASP 25 HB1 ASP 25 10.598 -13.360 1.991 191 H ASP 26 HN ASP 26 8.771 -13.436 0.288 192 HA ASP 26 HA ASP 26 7.335 -11.209 1.361 193 1HB ASP 26 HB2 ASP 26 8.538 -11.208 -0.831 194 2HB ASP 26 HB1 ASP 26 7.279 -12.255 -1.487 195 H LEU 27 HN LEU 27 6.258 -14.268 -0.067 196 HA LEU 27 HA LEU 27 3.471 -13.627 -0.221 197 1HB LEU 27 HB2 LEU 27 4.860 -16.299 0.146 198 2HB LEU 27 HB1 LEU 27 3.150 -16.106 -0.246 199 HG LEU 27 HG LEU 27 5.413 -14.986 -1.922 200 1HD1 LEU 27 HD12 LEU 27 3.979 -17.612 -1.941 201 2HD1 LEU 27 HD11 LEU 27 4.379 -16.873 -3.492 202 3HD1 LEU 27 HD13 LEU 27 5.659 -17.250 -2.338 203 1HD2 LEU 27 HD23 LEU 27 2.409 -15.112 -2.183 204 2HD2 LEU 27 HD22 LEU 27 3.467 -13.711 -2.347 205 3HD2 LEU 27 HD21 LEU 27 3.437 -14.946 -3.606 206 H HIS 28 HN HIS 28 5.543 -14.497 2.436 207 HA HIS 28 HA HIS 28 3.308 -15.202 4.214 208 1HB HIS 28 HB2 HIS 28 6.296 -14.946 4.569 209 2HB HIS 28 HB1 HIS 28 5.222 -15.153 5.953 210 HD1 HIS 28 HD1 HIS 28 3.200 -17.150 4.852 211 HD2 HIS 28 HD2 HIS 28 7.304 -17.508 4.214 212 HE1 HIS 28 HE1 HIS 28 3.635 -19.590 4.333 213 H TYR 29 HN TYR 29 5.295 -12.415 3.454 214 HA TYR 29 HA TYR 29 4.528 -10.872 5.796 215 1HB TYR 29 HB2 TYR 29 6.596 -10.491 4.352 216 2HB TYR 29 HB1 TYR 29 5.517 -9.785 3.150 217 HD1 TYR 29 HD1 TYR 29 5.903 -9.600 6.885 218 HD2 TYR 29 HD2 TYR 29 5.438 -7.464 3.189 219 HE1 TYR 29 HE1 TYR 29 5.924 -7.453 8.125 220 HE2 TYR 29 HE2 TYR 29 5.457 -5.315 4.428 221 HH TYR 29 HH TYR 29 4.889 -4.992 7.552 222 H PHE 30 HN PHE 30 3.178 -11.451 2.626 223 HA PHE 30 HA PHE 30 1.429 -9.173 2.509 224 1HB PHE 30 HB2 PHE 30 2.024 -10.723 0.586 225 2HB PHE 30 HB1 PHE 30 0.913 -11.897 1.292 226 HD1 PHE 30 HD2 PHE 30 1.117 -8.381 0.048 227 HD2 PHE 30 HD1 PHE 30 -1.410 -11.746 0.904 228 HE1 PHE 30 HE2 PHE 30 -0.794 -7.217 -1.022 229 HE2 PHE 30 HE1 PHE 30 -3.322 -10.583 -0.164 230 HZ PHE 30 HZ PHE 30 -3.015 -8.318 -1.127 231 H ARG 31 HN ARG 31 0.962 -12.509 3.684 232 HA ARG 31 HA ARG 31 -1.785 -12.161 4.448 233 1HB ARG 31 HB2 ARG 31 -0.512 -14.363 4.175 234 2HB ARG 31 HB1 ARG 31 0.178 -14.046 5.768 235 1HG ARG 31 HG2 ARG 31 -2.096 -13.905 6.724 236 2HG ARG 31 HG1 ARG 31 -2.781 -14.240 5.134 237 1HD ARG 31 HD2 ARG 31 -2.754 -16.365 6.122 238 2HD ARG 31 HD1 ARG 31 -1.252 -16.360 5.198 239 HE ARG 31 HE ARG 31 -0.612 -15.366 7.755 240 1HH1 ARG 31 HH21 ARG 31 -1.866 -18.275 6.330 241 2HH1 ARG 31 HH22 ARG 31 -1.206 -19.303 7.559 242 1HH2 ARG 31 HH11 ARG 31 0.239 -16.708 9.343 243 2HH2 ARG 31 HH12 ARG 31 -0.020 -18.419 9.255 244 H ALA 32 HN ALA 32 1.271 -11.483 6.053 245 HA ALA 32 HA ALA 32 0.084 -11.012 8.669 246 1HB ALA 32 HB1 ALA 32 2.501 -11.630 8.278 247 2HB ALA 32 HB3 ALA 32 2.746 -10.012 7.621 248 3HB ALA 32 HB2 ALA 32 2.275 -10.216 9.308 249 H GLN 33 HN GLN 33 0.809 -9.072 5.826 250 HA GLN 33 HA GLN 33 0.038 -6.586 7.257 251 1HB GLN 33 HB2 GLN 33 1.269 -7.168 4.564 252 2HB GLN 33 HB1 GLN 33 0.594 -5.582 4.933 253 1HG GLN 33 HG2 GLN 33 2.615 -6.937 6.729 254 2HG GLN 33 HG1 GLN 33 3.089 -5.869 5.408 255 1HE2 GLN 33 HE22 GLN 33 2.040 -4.208 8.866 256 2HE2 GLN 33 HE21 GLN 33 2.504 -5.831 8.683 257 H THR 34 HN THR 34 -1.919 -8.724 6.677 258 HA THR 34 HA THR 34 -3.826 -7.075 5.085 259 HB THR 34 HB THR 34 -4.723 -9.316 4.193 260 HG1 THR 34 HG1 THR 34 -2.685 -10.740 4.065 261 1HG2 THR 34 HG22 THR 34 -2.048 -8.166 3.382 262 2HG2 THR 34 HG21 THR 34 -2.870 -9.410 2.440 263 3HG2 THR 34 HG23 THR 34 -3.629 -7.835 2.674 264 H VAL 35 HN VAL 35 -3.292 -9.615 7.487 265 HA VAL 35 HA VAL 35 -6.088 -9.793 8.268 266 HB VAL 35 HB VAL 35 -5.165 -11.054 10.231 267 1HG1 VAL 35 HG11 VAL 35 -4.255 -11.742 7.430 268 2HG1 VAL 35 HG13 VAL 35 -4.044 -12.849 8.787 269 3HG1 VAL 35 HG12 VAL 35 -5.664 -12.356 8.296 270 1HG2 VAL 35 HG23 VAL 35 -2.546 -10.260 8.926 271 2HG2 VAL 35 HG22 VAL 35 -3.076 -9.882 10.564 272 3HG2 VAL 35 HG21 VAL 35 -2.687 -11.545 10.126 273 H GLY 36 HN GLY 36 -7.159 -8.469 9.657 274 1HA GLY 36 HA2 GLY 36 -7.341 -7.119 11.660 275 2HA GLY 36 HA1 GLY 36 -5.604 -6.819 11.581 276 H LYS 37 HN LYS 37 -5.789 -6.264 8.643 277 HA LYS 37 HA LYS 37 -6.914 -3.503 8.867 278 1HB LYS 37 HB2 LYS 37 -4.624 -4.636 7.247 279 2HB LYS 37 HB1 LYS 37 -5.330 -3.057 6.901 280 1HG LYS 37 HG2 LYS 37 -3.573 -2.522 8.363 281 2HG LYS 37 HG1 LYS 37 -4.964 -2.604 9.444 282 1HD LYS 37 HD2 LYS 37 -4.360 -4.756 10.241 283 2HD LYS 37 HD1 LYS 37 -3.225 -5.015 8.915 284 1HE LYS 37 HE2 LYS 37 -2.836 -2.742 10.855 285 2HE LYS 37 HE1 LYS 37 -2.256 -4.364 11.234 286 1HZ LYS 37 HZ2 LYS 37 -1.394 -4.029 8.712 287 2HZ LYS 37 HZ1 LYS 37 -1.256 -2.448 9.321 288 3HZ LYS 37 HZ3 LYS 37 -0.457 -3.728 10.096 289 H ILE 38 HN ILE 38 -7.387 -2.678 6.450 290 HA ILE 38 HA ILE 38 -9.311 -4.649 5.331 291 HB ILE 38 HB ILE 38 -9.013 -1.698 4.698 292 1HG1 ILE 38 HG12 ILE 38 -11.023 -3.032 6.536 293 2HG1 ILE 38 HG11 ILE 38 -9.561 -2.230 7.116 294 1HG2 ILE 38 HG21 ILE 38 -10.194 -3.245 3.048 295 2HG2 ILE 38 HG23 ILE 38 -11.396 -3.524 4.309 296 3HG2 ILE 38 HG22 ILE 38 -11.160 -1.901 3.659 297 1HD1 ILE 38 HD13 ILE 38 -11.422 -0.770 5.261 298 2HD1 ILE 38 HD12 ILE 38 -11.802 -0.870 6.981 299 3HD1 ILE 38 HD11 ILE 38 -10.299 -0.114 6.453 300 H MET 39 HN MET 39 -8.750 -5.742 3.522 301 HA MET 39 HA MET 39 -6.378 -4.894 1.985 302 1HB MET 39 HB2 MET 39 -6.758 -7.294 2.622 303 2HB MET 39 HB1 MET 39 -8.170 -7.304 1.565 304 1HG MET 39 HG2 MET 39 -6.668 -6.586 -0.325 305 2HG MET 39 HG1 MET 39 -5.293 -6.816 0.753 306 1HE MET 39 HE3 MET 39 -8.322 -8.007 -0.779 307 2HE MET 39 HE2 MET 39 -8.018 -9.645 -1.349 308 3HE MET 39 HE1 MET 39 -8.652 -9.389 0.274 309 H VAL 40 HN VAL 40 -6.902 -3.199 0.639 310 HA VAL 40 HA VAL 40 -9.420 -3.320 -0.927 311 HB VAL 40 HB VAL 40 -7.311 -1.141 -0.853 312 1HG1 VAL 40 HG11 VAL 40 -8.850 -1.183 -2.827 313 2HG1 VAL 40 HG13 VAL 40 -10.218 -1.084 -1.719 314 3HG1 VAL 40 HG12 VAL 40 -9.066 0.247 -1.819 315 1HG2 VAL 40 HG23 VAL 40 -9.768 -1.658 0.825 316 2HG2 VAL 40 HG22 VAL 40 -8.140 -1.249 1.363 317 3HG2 VAL 40 HG21 VAL 40 -9.149 -0.024 0.595 318 H VAL 41 HN VAL 41 -9.320 -4.371 -2.843 319 HA VAL 41 HA VAL 41 -6.937 -3.944 -4.575 320 HB VAL 41 HB VAL 41 -6.998 -6.375 -5.190 321 1HG1 VAL 41 HG12 VAL 41 -5.449 -5.381 -3.442 322 2HG1 VAL 41 HG11 VAL 41 -6.584 -5.955 -2.220 323 3HG1 VAL 41 HG13 VAL 41 -5.756 -7.109 -3.266 324 1HG2 VAL 41 HG23 VAL 41 -8.962 -6.434 -2.880 325 2HG2 VAL 41 HG22 VAL 41 -9.252 -6.949 -4.542 326 3HG2 VAL 41 HG21 VAL 41 -8.162 -7.874 -3.511 327 H GLY 42 HN GLY 42 -7.435 -4.661 -6.871 328 1HA GLY 42 HA2 GLY 42 -10.137 -3.727 -7.585 329 2HA GLY 42 HA1 GLY 42 -8.817 -4.044 -8.712 330 H ARG 43 HN ARG 43 -10.761 -5.130 -9.837 331 HA ARG 43 HA ARG 43 -11.638 -7.694 -8.737 332 1HB ARG 43 HB2 ARG 43 -12.739 -7.948 -10.977 333 2HB ARG 43 HB1 ARG 43 -13.174 -6.450 -10.154 334 1HG ARG 43 HG2 ARG 43 -11.445 -5.245 -11.463 335 2HG ARG 43 HG1 ARG 43 -11.066 -6.742 -12.315 336 1HD ARG 43 HD2 ARG 43 -13.426 -6.856 -13.104 337 2HD ARG 43 HD1 ARG 43 -13.737 -5.306 -12.322 338 HE ARG 43 HE ARG 43 -12.286 -5.706 -14.826 339 1HH1 ARG 43 HH21 ARG 43 -12.769 -3.661 -12.060 340 2HH1 ARG 43 HH22 ARG 43 -12.218 -2.234 -12.871 341 1HH2 ARG 43 HH11 ARG 43 -11.573 -3.847 -15.868 342 2HH2 ARG 43 HH12 ARG 43 -11.544 -2.340 -15.016 343 H ARG 44 HN ARG 44 -9.244 -6.565 -11.066 344 HA ARG 44 HA ARG 44 -8.606 -9.183 -12.123 345 1HB ARG 44 HB2 ARG 44 -8.078 -6.901 -13.178 346 2HB ARG 44 HB1 ARG 44 -6.733 -6.813 -12.039 347 1HG ARG 44 HG2 ARG 44 -5.707 -8.769 -12.946 348 2HG ARG 44 HG1 ARG 44 -7.153 -9.183 -13.869 349 1HD ARG 44 HD2 ARG 44 -6.836 -6.950 -15.083 350 2HD ARG 44 HD1 ARG 44 -5.232 -6.899 -14.349 351 HE ARG 44 HE ARG 44 -6.071 -8.663 -16.525 352 1HH1 ARG 44 HH21 ARG 44 -3.869 -8.163 -13.885 353 2HH1 ARG 44 HH22 ARG 44 -2.650 -9.199 -14.549 354 1HH2 ARG 44 HH11 ARG 44 -4.482 -10.004 -17.377 355 2HH2 ARG 44 HH12 ARG 44 -2.997 -10.236 -16.517 356 H THR 45 HN THR 45 -7.442 -7.241 -9.416 357 HA THR 45 HA THR 45 -5.233 -9.070 -8.820 358 HB THR 45 HB THR 45 -6.410 -6.946 -7.012 359 HG1 THR 45 HG1 THR 45 -4.330 -5.970 -8.149 360 1HG2 THR 45 HG23 THR 45 -3.675 -8.227 -7.249 361 2HG2 THR 45 HG22 THR 45 -4.057 -6.878 -6.180 362 3HG2 THR 45 HG21 THR 45 -4.825 -8.445 -5.930 363 H TYR 46 HN TYR 46 -8.561 -8.595 -7.791 364 HA TYR 46 HA TYR 46 -8.453 -10.240 -5.433 365 1HB TYR 46 HB2 TYR 46 -10.307 -8.596 -6.181 366 2HB TYR 46 HB1 TYR 46 -10.897 -9.925 -7.178 367 HD1 TYR 46 HD1 TYR 46 -9.573 -9.487 -3.686 368 HD2 TYR 46 HD2 TYR 46 -12.585 -11.202 -6.223 369 HE1 TYR 46 HE1 TYR 46 -10.674 -10.488 -1.702 370 HE2 TYR 46 HE2 TYR 46 -13.686 -12.204 -4.240 371 HH TYR 46 HH TYR 46 -13.797 -12.073 -1.938 372 H GLU 47 HN GLU 47 -8.796 -10.932 -8.854 373 HA GLU 47 HA GLU 47 -9.467 -13.765 -8.323 374 1HB GLU 47 HB2 GLU 47 -9.131 -12.162 -10.871 375 2HB GLU 47 HB1 GLU 47 -9.444 -13.898 -10.856 376 1HG GLU 47 HG2 GLU 47 -11.219 -12.050 -9.285 377 2HG GLU 47 HG1 GLU 47 -11.466 -12.236 -11.022 378 H SER 48 HN SER 48 -6.702 -11.790 -8.894 379 HA SER 48 HA SER 48 -4.967 -13.671 -10.164 380 1HB SER 48 HB2 SER 48 -3.166 -12.243 -9.445 381 2HB SER 48 HB1 SER 48 -4.529 -11.198 -9.830 382 HG SER 48 HG SER 48 -4.640 -12.051 -7.268 383 H PHE 49 HN PHE 49 -6.120 -13.404 -6.891 384 HA PHE 49 HA PHE 49 -4.056 -14.903 -5.578 385 1HB PHE 49 HB2 PHE 49 -7.001 -14.709 -4.873 386 2HB PHE 49 HB1 PHE 49 -5.709 -15.228 -3.790 387 HD1 PHE 49 HD1 PHE 49 -3.561 -13.442 -4.036 388 HD2 PHE 49 HD2 PHE 49 -7.748 -12.557 -4.406 389 HE1 PHE 49 HE1 PHE 49 -3.115 -11.079 -3.433 390 HE2 PHE 49 HE2 PHE 49 -7.302 -10.193 -3.802 391 HZ PHE 49 HZ PHE 49 -4.985 -9.454 -3.316 392 HA PRO 50 HA PRO 50 -5.011 -19.071 -6.804 393 1HB PRO 50 HB2 PRO 50 -4.241 -20.369 -4.444 394 2HB PRO 50 HB1 PRO 50 -3.170 -19.912 -5.774 395 1HG PRO 50 HG2 PRO 50 -3.260 -18.833 -3.123 396 2HG PRO 50 HG1 PRO 50 -2.169 -18.402 -4.448 397 1HD PRO 50 HD2 PRO 50 -4.511 -16.966 -3.453 398 2HD PRO 50 HD1 PRO 50 -3.236 -16.405 -4.547 399 H LYS 51 HN LYS 51 -5.737 -18.987 -3.297 400 HA LYS 51 HA LYS 51 -8.355 -20.284 -3.902 401 1HB LYS 51 HB2 LYS 51 -6.569 -20.219 -1.476 402 2HB LYS 51 HB1 LYS 51 -8.278 -20.626 -1.316 403 1HG LYS 51 HG2 LYS 51 -7.247 -22.721 -1.637 404 2HG LYS 51 HG1 LYS 51 -7.845 -22.307 -3.244 405 1HD LYS 51 HD2 LYS 51 -5.725 -21.833 -4.064 406 2HD LYS 51 HD1 LYS 51 -5.085 -21.432 -2.469 407 1HE LYS 51 HE2 LYS 51 -5.946 -24.238 -3.185 408 2HE LYS 51 HE1 LYS 51 -4.307 -23.658 -3.484 409 1HZ LYS 51 HZ1 LYS 51 -5.322 -23.097 -0.840 410 2HZ LYS 51 HZ3 LYS 51 -5.139 -24.749 -1.178 411 3HZ LYS 51 HZ2 LYS 51 -3.809 -23.701 -1.319 412 H ARG 52 HN ARG 52 -10.180 -19.089 -3.683 413 HA ARG 52 HA ARG 52 -10.033 -16.591 -2.040 414 1HB ARG 52 HB2 ARG 52 -11.354 -17.100 -4.712 415 2HB ARG 52 HB1 ARG 52 -11.825 -15.747 -3.682 416 1HG ARG 52 HG2 ARG 52 -9.748 -14.694 -3.889 417 2HG ARG 52 HG1 ARG 52 -8.922 -16.192 -4.318 418 1HD ARG 52 HD2 ARG 52 -9.102 -14.884 -6.332 419 2HD ARG 52 HD1 ARG 52 -10.264 -16.205 -6.465 420 HE ARG 52 HE ARG 52 -10.931 -13.349 -6.009 421 1HH1 ARG 52 HH11 ARG 52 -11.927 -16.660 -6.353 422 2HH1 ARG 52 HH12 ARG 52 -13.585 -16.255 -6.643 423 1HH2 ARG 52 HH21 ARG 52 -13.086 -12.837 -6.387 424 2HH2 ARG 52 HH22 ARG 52 -14.237 -14.100 -6.662 425 HA PRO 53 HA PRO 53 -11.689 -14.959 -1.783 426 1HB PRO 53 HB2 PRO 53 -12.956 -14.169 0.585 427 2HB PRO 53 HB1 PRO 53 -13.628 -14.036 -1.046 428 1HG PRO 53 HG2 PRO 53 -14.488 -15.741 1.085 429 2HG PRO 53 HG1 PRO 53 -15.168 -15.590 -0.541 430 1HD PRO 53 HD2 PRO 53 -13.431 -17.680 0.542 431 2HD PRO 53 HD1 PRO 53 -14.394 -17.681 -0.945 432 H LEU 54 HN LEU 54 -11.048 -13.488 0.458 433 HA LEU 54 HA LEU 54 -8.957 -15.177 1.770 434 1HB LEU 54 HB2 LEU 54 -8.933 -12.176 1.333 435 2HB LEU 54 HB1 LEU 54 -7.611 -13.159 1.965 436 HG LEU 54 HG LEU 54 -8.827 -13.490 -0.793 437 1HD1 LEU 54 HD13 LEU 54 -7.339 -11.368 -0.065 438 2HD1 LEU 54 HD12 LEU 54 -6.043 -12.517 -0.388 439 3HD1 LEU 54 HD11 LEU 54 -7.201 -12.116 -1.656 440 1HD2 LEU 54 HD23 LEU 54 -6.550 -14.787 0.705 441 2HD2 LEU 54 HD22 LEU 54 -7.872 -15.561 -0.168 442 3HD2 LEU 54 HD21 LEU 54 -6.577 -14.760 -1.058 443 HA PRO 55 HA PRO 55 -11.740 -14.065 5.257 444 1HB PRO 55 HB2 PRO 55 -10.834 -16.323 6.717 445 2HB PRO 55 HB1 PRO 55 -12.364 -16.156 5.847 446 1HG PRO 55 HG2 PRO 55 -10.155 -17.822 5.187 447 2HG PRO 55 HG1 PRO 55 -11.664 -17.610 4.290 448 1HD PRO 55 HD2 PRO 55 -9.017 -16.556 3.690 449 2HD PRO 55 HD1 PRO 55 -10.463 -16.590 2.670 450 H GLU 56 HN GLU 56 -11.044 -14.230 7.788 451 HA GLU 56 HA GLU 56 -9.627 -13.373 9.446 452 1HB GLU 56 HB2 GLU 56 -7.381 -14.176 7.571 453 2HB GLU 56 HB1 GLU 56 -7.271 -13.923 9.313 454 1HG GLU 56 HG2 GLU 56 -9.196 -15.762 9.345 455 2HG GLU 56 HG1 GLU 56 -8.467 -16.209 7.802 456 H ARG 57 HN ARG 57 -10.523 -11.735 7.074 457 HA ARG 57 HA ARG 57 -9.182 -9.300 7.746 458 1HB ARG 57 HB2 ARG 57 -8.002 -8.909 5.583 459 2HB ARG 57 HB1 ARG 57 -7.297 -10.238 6.503 460 1HG ARG 57 HG2 ARG 57 -8.996 -11.702 5.108 461 2HG ARG 57 HG1 ARG 57 -8.941 -10.334 3.997 462 1HD ARG 57 HD2 ARG 57 -7.182 -11.638 3.197 463 2HD ARG 57 HD1 ARG 57 -6.337 -10.557 4.304 464 HE ARG 57 HE ARG 57 -7.008 -12.705 5.905 465 1HH1 ARG 57 HH21 ARG 57 -5.395 -12.338 2.850 466 2HH1 ARG 57 HH22 ARG 57 -4.397 -13.736 3.075 467 1HH2 ARG 57 HH11 ARG 57 -5.708 -14.517 6.185 468 2HH2 ARG 57 HH12 ARG 57 -4.574 -14.963 4.954 469 H THR 58 HN THR 58 -9.728 -7.584 5.897 470 HA THR 58 HA THR 58 -12.590 -8.030 5.236 471 HB THR 58 HB THR 58 -11.086 -5.440 4.873 472 HG1 THR 58 HG1 THR 58 -12.265 -5.290 7.140 473 1HG2 THR 58 HG21 THR 58 -13.960 -6.181 5.483 474 2HG2 THR 58 HG23 THR 58 -13.350 -4.527 5.414 475 3HG2 THR 58 HG22 THR 58 -13.339 -5.533 3.965 476 H ASN 59 HN ASN 59 -13.242 -8.331 3.154 477 HA ASN 59 HA ASN 59 -11.174 -8.132 1.018 478 1HB ASN 59 HB2 ASN 59 -13.870 -9.525 0.982 479 2HB ASN 59 HB1 ASN 59 -12.638 -9.613 -0.277 480 1HD2 ASN 59 HD22 ASN 59 -10.383 -11.398 2.115 481 2HD2 ASN 59 HD21 ASN 59 -10.297 -9.937 1.253 482 H VAL 60 HN VAL 60 -11.263 -6.006 0.322 483 HA VAL 60 HA VAL 60 -13.948 -4.934 -0.445 484 HB VAL 60 HB VAL 60 -11.371 -3.398 0.004 485 1HG1 VAL 60 HG11 VAL 60 -14.248 -2.624 -0.512 486 2HG1 VAL 60 HG13 VAL 60 -13.092 -1.502 0.206 487 3HG1 VAL 60 HG12 VAL 60 -12.811 -2.140 -1.414 488 1HG2 VAL 60 HG21 VAL 60 -13.755 -3.868 1.823 489 2HG2 VAL 60 HG23 VAL 60 -12.096 -4.397 2.107 490 3HG2 VAL 60 HG22 VAL 60 -12.490 -2.678 2.129 491 H VAL 61 HN VAL 61 -14.249 -5.430 -2.577 492 HA VAL 61 HA VAL 61 -11.942 -5.229 -4.445 493 HB VAL 61 HB VAL 61 -14.742 -6.271 -4.971 494 1HG1 VAL 61 HG11 VAL 61 -12.122 -6.402 -6.487 495 2HG1 VAL 61 HG13 VAL 61 -13.511 -7.419 -6.870 496 3HG1 VAL 61 HG12 VAL 61 -13.634 -5.666 -7.019 497 1HG2 VAL 61 HG21 VAL 61 -12.202 -7.648 -4.068 498 2HG2 VAL 61 HG23 VAL 61 -13.793 -7.707 -3.310 499 3HG2 VAL 61 HG22 VAL 61 -13.520 -8.520 -4.851 500 H LEU 62 HN LEU 62 -11.855 -3.650 -6.009 501 HA LEU 62 HA LEU 62 -14.012 -1.593 -5.946 502 1HB LEU 62 HB2 LEU 62 -11.596 -0.945 -5.508 503 2HB LEU 62 HB1 LEU 62 -11.261 -1.357 -7.191 504 HG LEU 62 HG LEU 62 -13.201 0.233 -7.781 505 1HD1 LEU 62 HD12 LEU 62 -12.734 0.861 -4.866 506 2HD1 LEU 62 HD11 LEU 62 -13.376 2.073 -5.974 507 3HD1 LEU 62 HD13 LEU 62 -14.264 0.576 -5.693 508 1HD2 LEU 62 HD23 LEU 62 -10.575 1.165 -6.599 509 2HD2 LEU 62 HD22 LEU 62 -10.959 0.894 -8.299 510 3HD2 LEU 62 HD21 LEU 62 -11.675 2.257 -7.439 511 H THR 63 HN THR 63 -15.376 -1.467 -7.655 512 HA THR 63 HA THR 63 -14.449 -2.159 -10.365 513 HB THR 63 HB THR 63 -15.169 -4.342 -9.569 514 HG1 THR 63 HG1 THR 63 -16.124 -3.141 -11.622 515 1HG2 THR 63 HG23 THR 63 -17.728 -2.915 -8.795 516 2HG2 THR 63 HG22 THR 63 -17.493 -4.662 -8.743 517 3HG2 THR 63 HG21 THR 63 -16.547 -3.613 -7.686 518 H HIS 64 HN HIS 64 -15.643 -1.073 -11.937 519 HA HIS 64 HA HIS 64 -17.524 0.969 -10.933 520 1HB HIS 64 HB2 HIS 64 -16.285 0.470 -13.654 521 2HB HIS 64 HB1 HIS 64 -17.425 1.776 -13.326 522 HD1 HIS 64 HD1 HIS 64 -16.323 3.918 -12.719 523 HD2 HIS 64 HD2 HIS 64 -13.989 0.644 -11.618 524 HE1 HIS 64 HE1 HIS 64 -14.202 4.859 -11.703 525 H GLN 65 HN GLN 65 -17.510 -1.772 -13.204 526 HA GLN 65 HA GLN 65 -20.289 -1.463 -13.958 527 1HB GLN 65 HB2 GLN 65 -18.405 -3.833 -14.150 528 2HB GLN 65 HB1 GLN 65 -20.014 -3.781 -14.873 529 1HG GLN 65 HG2 GLN 65 -17.968 -1.639 -15.450 530 2HG GLN 65 HG1 GLN 65 -18.015 -3.137 -16.380 531 1HE2 GLN 65 HE22 GLN 65 -21.038 -0.399 -16.818 532 2HE2 GLN 65 HE21 GLN 65 -19.979 -0.278 -15.497 533 H GLU 66 HN GLU 66 -22.086 -2.237 -12.931 534 HA GLU 66 HA GLU 66 -21.739 -3.479 -10.284 535 1HB GLU 66 HB2 GLU 66 -23.462 -1.635 -10.973 536 2HB GLU 66 HB1 GLU 66 -24.398 -2.990 -11.607 537 1HG GLU 66 HG2 GLU 66 -23.977 -4.076 -9.281 538 2HG GLU 66 HG1 GLU 66 -23.577 -2.439 -8.762 539 H ASP 67 HN ASP 67 -21.050 -5.011 -12.727 540 HA ASP 67 HA ASP 67 -23.147 -7.126 -12.714 541 1HB ASP 67 HB2 ASP 67 -22.129 -6.129 -14.879 542 2HB ASP 67 HB1 ASP 67 -20.701 -7.082 -14.481 543 H TYR 68 HN TYR 68 -19.737 -6.543 -11.989 544 HA TYR 68 HA TYR 68 -19.065 -9.293 -11.428 545 1HB TYR 68 HB2 TYR 68 -17.463 -7.324 -11.860 546 2HB TYR 68 HB1 TYR 68 -17.734 -6.890 -10.172 547 HD1 TYR 68 HD1 TYR 68 -16.407 -9.490 -12.448 548 HD2 TYR 68 HD2 TYR 68 -16.840 -8.220 -8.367 549 HE1 TYR 68 HE1 TYR 68 -14.761 -11.204 -11.740 550 HE2 TYR 68 HE2 TYR 68 -15.193 -9.934 -7.659 551 HH TYR 68 HH TYR 68 -13.536 -11.986 -10.049 552 H GLN 69 HN GLN 69 -18.931 -10.336 -9.388 553 HA GLN 69 HA GLN 69 -20.035 -8.931 -7.026 554 1HB GLN 69 HB2 GLN 69 -21.230 -11.470 -8.182 555 2HB GLN 69 HB1 GLN 69 -21.644 -10.791 -6.608 556 1HG GLN 69 HG2 GLN 69 -22.312 -8.667 -7.767 557 2HG GLN 69 HG1 GLN 69 -22.049 -9.480 -9.310 558 1HE2 GLN 69 HE22 GLN 69 -25.123 -11.203 -9.207 559 2HE2 GLN 69 HE21 GLN 69 -23.716 -10.841 -10.083 560 H ALA 70 HN ALA 70 -19.501 -10.015 -5.035 561 HA ALA 70 HA ALA 70 -17.642 -12.332 -5.285 562 1HB ALA 70 HB1 ALA 70 -17.122 -9.699 -3.895 563 2HB ALA 70 HB3 ALA 70 -16.247 -11.170 -3.464 564 3HB ALA 70 HB2 ALA 70 -16.120 -10.515 -5.097 565 H GLN 71 HN GLN 71 -17.876 -13.825 -3.639 566 HA GLN 71 HA GLN 71 -20.141 -13.424 -1.799 567 1HB GLN 71 HB2 GLN 71 -18.323 -15.788 -2.344 568 2HB GLN 71 HB1 GLN 71 -19.633 -15.815 -1.162 569 1HG GLN 71 HG2 GLN 71 -20.123 -14.998 -4.027 570 2HG GLN 71 HG1 GLN 71 -20.161 -16.692 -3.535 571 1HE2 GLN 71 HE22 GLN 71 -23.293 -14.288 -2.651 572 2HE2 GLN 71 HE21 GLN 71 -21.970 -13.734 -3.557 573 H GLY 72 HN GLY 72 -19.841 -12.610 0.207 574 1HA GLY 72 HA2 GLY 72 -18.852 -12.216 2.307 575 2HA GLY 72 HA1 GLY 72 -17.654 -13.449 1.914 576 H ALA 73 HN ALA 73 -18.473 -10.359 0.318 577 HA ALA 73 HA ALA 73 -15.903 -9.178 1.102 578 1HB ALA 73 HB2 ALA 73 -15.344 -10.654 -0.857 579 2HB ALA 73 HB1 ALA 73 -16.460 -9.699 -1.832 580 3HB ALA 73 HB3 ALA 73 -15.022 -8.943 -1.145 581 H VAL 74 HN VAL 74 -16.004 -6.941 0.988 582 HA VAL 74 HA VAL 74 -18.626 -5.769 0.400 583 HB VAL 74 HB VAL 74 -16.051 -4.382 1.202 584 1HG1 VAL 74 HG11 VAL 74 -18.974 -3.589 1.245 585 2HG1 VAL 74 HG13 VAL 74 -17.719 -2.704 2.113 586 3HG1 VAL 74 HG12 VAL 74 -17.666 -2.812 0.353 587 1HG2 VAL 74 HG23 VAL 74 -18.221 -5.735 2.809 588 2HG2 VAL 74 HG22 VAL 74 -16.474 -5.930 2.946 589 3HG2 VAL 74 HG21 VAL 74 -17.242 -4.442 3.499 590 H VAL 75 HN VAL 75 -18.983 -5.710 -1.808 591 HA VAL 75 HA VAL 75 -16.880 -4.925 -3.682 592 HB VAL 75 HB VAL 75 -19.861 -5.195 -4.168 593 1HG1 VAL 75 HG13 VAL 75 -17.441 -5.250 -5.995 594 2HG1 VAL 75 HG12 VAL 75 -19.083 -5.643 -6.504 595 3HG1 VAL 75 HG11 VAL 75 -18.696 -4.013 -5.952 596 1HG2 VAL 75 HG21 VAL 75 -17.621 -7.236 -4.343 597 2HG2 VAL 75 HG23 VAL 75 -18.994 -7.277 -3.237 598 3HG2 VAL 75 HG22 VAL 75 -19.251 -7.489 -4.968 599 H VAL 76 HN VAL 76 -16.256 -2.802 -3.297 600 HA VAL 76 HA VAL 76 -18.299 -0.702 -2.961 601 HB VAL 76 HB VAL 76 -16.302 0.806 -2.783 602 1HG1 VAL 76 HG12 VAL 76 -16.348 -1.693 -1.065 603 2HG1 VAL 76 HG11 VAL 76 -15.440 -0.236 -0.663 604 3HG1 VAL 76 HG13 VAL 76 -17.201 -0.181 -0.756 605 1HG2 VAL 76 HG22 VAL 76 -14.919 -0.765 -4.297 606 2HG2 VAL 76 HG21 VAL 76 -14.095 -0.062 -2.905 607 3HG2 VAL 76 HG23 VAL 76 -14.660 -1.731 -2.844 608 H HIS 77 HN HIS 77 -18.164 1.268 -4.380 609 HA HIS 77 HA HIS 77 -17.192 0.674 -7.133 610 1HB HIS 77 HB2 HIS 77 -19.970 1.661 -6.411 611 2HB HIS 77 HB1 HIS 77 -19.326 1.576 -8.052 612 HD1 HIS 77 HD1 HIS 77 -19.580 -0.616 -9.241 613 HD2 HIS 77 HD2 HIS 77 -20.063 -1.023 -5.120 614 HE1 HIS 77 HE1 HIS 77 -20.283 -3.015 -8.835 615 H ASP 78 HN ASP 78 -16.255 2.438 -4.934 616 HA ASP 78 HA ASP 78 -15.747 4.807 -6.492 617 1HB ASP 78 HB2 ASP 78 -18.164 5.130 -5.666 618 2HB ASP 78 HB1 ASP 78 -17.465 5.301 -4.056 619 H VAL 79 HN VAL 79 -14.022 5.961 -5.598 620 HA VAL 79 HA VAL 79 -12.461 4.650 -3.569 621 HB VAL 79 HB VAL 79 -12.191 7.501 -4.569 622 1HG1 VAL 79 HG11 VAL 79 -10.890 6.788 -2.513 623 2HG1 VAL 79 HG13 VAL 79 -10.087 5.587 -3.524 624 3HG1 VAL 79 HG12 VAL 79 -9.893 7.305 -3.872 625 1HG2 VAL 79 HG22 VAL 79 -11.204 4.864 -5.689 626 2HG2 VAL 79 HG21 VAL 79 -12.200 6.072 -6.501 627 3HG2 VAL 79 HG23 VAL 79 -10.507 6.418 -6.145 628 H ALA 80 HN ALA 80 -14.755 7.323 -3.519 629 HA ALA 80 HA ALA 80 -14.124 8.264 -0.870 630 1HB ALA 80 HB1 ALA 80 -15.506 9.454 -2.684 631 2HB ALA 80 HB3 ALA 80 -16.846 8.429 -2.174 632 3HB ALA 80 HB2 ALA 80 -16.115 9.556 -1.032 633 H ALA 81 HN ALA 81 -16.270 5.758 -2.130 634 HA ALA 81 HA ALA 81 -17.675 5.250 0.330 635 1HB ALA 81 HB3 ALA 81 -17.203 3.680 -2.197 636 2HB ALA 81 HB2 ALA 81 -17.992 2.923 -0.813 637 3HB ALA 81 HB1 ALA 81 -18.714 4.342 -1.571 638 H VAL 82 HN VAL 82 -14.634 4.075 -1.027 639 HA VAL 82 HA VAL 82 -14.215 1.963 0.887 640 HB VAL 82 HB VAL 82 -12.121 3.559 -0.620 641 1HG1 VAL 82 HG13 VAL 82 -11.382 2.043 1.270 642 2HG1 VAL 82 HG12 VAL 82 -12.065 0.693 0.363 643 3HG1 VAL 82 HG11 VAL 82 -10.724 1.620 -0.311 644 1HG2 VAL 82 HG22 VAL 82 -14.004 1.374 -1.440 645 2HG2 VAL 82 HG21 VAL 82 -13.436 2.765 -2.364 646 3HG2 VAL 82 HG23 VAL 82 -12.374 1.380 -2.114 647 H PHE 83 HN PHE 83 -13.378 5.406 0.820 648 HA PHE 83 HA PHE 83 -11.808 5.308 3.264 649 1HB PHE 83 HB2 PHE 83 -12.998 7.532 1.606 650 2HB PHE 83 HB1 PHE 83 -12.214 7.862 3.151 651 HD1 PHE 83 HD2 PHE 83 -9.900 6.397 3.412 652 HD2 PHE 83 HD1 PHE 83 -11.636 7.796 -0.259 653 HE1 PHE 83 HE2 PHE 83 -7.680 6.273 2.315 654 HE2 PHE 83 HE1 PHE 83 -9.415 7.673 -1.356 655 HZ PHE 83 HZ PHE 83 -7.438 6.912 -0.069 656 H ALA 84 HN ALA 84 -15.189 5.819 2.462 657 HA ALA 84 HA ALA 84 -16.019 6.924 4.979 658 1HB ALA 84 HB3 ALA 84 -17.349 6.852 2.794 659 2HB ALA 84 HB2 ALA 84 -17.714 5.173 3.188 660 3HB ALA 84 HB1 ALA 84 -18.250 6.467 4.260 661 H TYR 85 HN TYR 85 -15.722 3.595 3.782 662 HA TYR 85 HA TYR 85 -16.877 2.356 6.121 663 1HB TYR 85 HB2 TYR 85 -16.506 1.316 3.794 664 2HB TYR 85 HB1 TYR 85 -14.834 1.072 4.302 665 HD1 TYR 85 HD1 TYR 85 -14.327 -0.337 6.306 666 HD2 TYR 85 HD2 TYR 85 -18.285 -0.038 4.664 667 HE1 TYR 85 HE1 TYR 85 -15.000 -2.371 7.556 668 HE2 TYR 85 HE2 TYR 85 -18.957 -2.071 5.914 669 HH TYR 85 HH TYR 85 -17.258 -4.243 6.939 670 H ALA 86 HN ALA 86 -13.621 3.378 5.230 671 HA ALA 86 HA ALA 86 -12.283 2.044 7.422 672 1HB ALA 86 HB1 ALA 86 -11.520 4.330 5.596 673 2HB ALA 86 HB3 ALA 86 -10.456 3.767 6.886 674 3HB ALA 86 HB2 ALA 86 -10.912 2.674 5.578 675 H LYS 87 HN LYS 87 -14.013 5.056 7.067 676 HA LYS 87 HA LYS 87 -12.946 6.438 9.339 677 1HB LYS 87 HB2 LYS 87 -14.486 7.326 7.449 678 2HB LYS 87 HB1 LYS 87 -15.810 6.690 8.425 679 1HG LYS 87 HG2 LYS 87 -14.934 8.015 10.369 680 2HG LYS 87 HG1 LYS 87 -13.754 8.745 9.280 681 1HD LYS 87 HD2 LYS 87 -15.819 9.335 7.808 682 2HD LYS 87 HD1 LYS 87 -16.750 9.038 9.276 683 1HE LYS 87 HE2 LYS 87 -15.242 10.659 10.474 684 2HE LYS 87 HE1 LYS 87 -14.510 11.046 8.916 685 1HZ LYS 87 HZ1 LYS 87 -17.421 11.140 9.086 686 2HZ LYS 87 HZ3 LYS 87 -16.566 12.374 9.876 687 3HZ LYS 87 HZ2 LYS 87 -16.350 12.126 8.209 688 H GLN 88 HN GLN 88 -15.786 4.304 8.980 689 HA GLN 88 HA GLN 88 -16.607 4.450 11.725 690 1HB GLN 88 HB2 GLN 88 -17.032 2.295 9.633 691 2HB GLN 88 HB1 GLN 88 -17.840 2.328 11.200 692 1HG GLN 88 HG2 GLN 88 -17.953 4.711 9.358 693 2HG GLN 88 HG1 GLN 88 -19.082 3.368 9.170 694 1HE2 GLN 88 HE22 GLN 88 -20.140 6.077 11.765 695 2HE2 GLN 88 HE21 GLN 88 -19.276 6.306 10.323 696 H HIS 89 HN HIS 89 -14.149 2.601 10.067 697 HA HIS 89 HA HIS 89 -13.541 1.194 12.639 698 1HB HIS 89 HB2 HIS 89 -13.358 0.295 9.773 699 2HB HIS 89 HB1 HIS 89 -12.298 -0.420 10.989 700 HD1 HIS 89 HD1 HIS 89 -13.270 -2.366 12.201 701 HD2 HIS 89 HD2 HIS 89 -16.247 0.142 10.709 702 HE1 HIS 89 HE1 HIS 89 -15.481 -3.469 12.757 703 HA PRO 90 HA PRO 90 -9.921 3.935 11.863 704 1HB PRO 90 HB2 PRO 90 -9.635 4.499 14.593 705 2HB PRO 90 HB1 PRO 90 -10.452 5.518 13.401 706 1HG PRO 90 HG2 PRO 90 -11.612 4.068 15.578 707 2HG PRO 90 HG1 PRO 90 -12.423 5.103 14.395 708 1HD PRO 90 HD2 PRO 90 -12.322 2.185 14.522 709 2HD PRO 90 HD1 PRO 90 -13.382 3.228 13.560 710 H ASP 91 HN ASP 91 -10.496 1.249 14.013 711 HA ASP 91 HA ASP 91 -7.754 0.877 14.865 712 1HB ASP 91 HB2 ASP 91 -8.553 -1.416 15.499 713 2HB ASP 91 HB1 ASP 91 -9.561 -0.124 16.150 714 H GLN 92 HN GLN 92 -9.576 0.020 12.020 715 HA GLN 92 HA GLN 92 -7.442 -1.832 11.101 716 1HB GLN 92 HB2 GLN 92 -10.097 -1.080 9.837 717 2HB GLN 92 HB1 GLN 92 -8.983 -2.303 9.224 718 1HG GLN 92 HG2 GLN 92 -9.193 -3.523 11.394 719 2HG GLN 92 HG1 GLN 92 -10.401 -2.343 11.904 720 1HE2 GLN 92 HE22 GLN 92 -11.385 -5.060 8.980 721 2HE2 GLN 92 HE21 GLN 92 -9.749 -4.737 9.297 722 H GLU 93 HN GLU 93 -5.933 -1.200 9.622 723 HA GLU 93 HA GLU 93 -6.085 1.584 8.603 724 1HB GLU 93 HB2 GLU 93 -3.866 -0.447 8.844 725 2HB GLU 93 HB1 GLU 93 -3.679 1.000 7.852 726 1HG GLU 93 HG2 GLU 93 -4.675 1.264 10.673 727 2HG GLU 93 HG1 GLU 93 -2.948 1.057 10.378 728 H LEU 94 HN LEU 94 -5.777 2.030 6.339 729 HA LEU 94 HA LEU 94 -6.901 -0.071 4.597 730 1HB LEU 94 HB2 LEU 94 -7.517 2.477 4.622 731 2HB LEU 94 HB1 LEU 94 -6.056 2.658 3.649 732 HG LEU 94 HG LEU 94 -7.055 0.709 2.227 733 1HD1 LEU 94 HD12 LEU 94 -9.366 1.609 3.926 734 2HD1 LEU 94 HD11 LEU 94 -9.656 1.055 2.278 735 3HD1 LEU 94 HD13 LEU 94 -8.907 -0.027 3.451 736 1HD2 LEU 94 HD22 LEU 94 -7.959 3.583 2.292 737 2HD2 LEU 94 HD21 LEU 94 -6.852 2.799 1.165 738 3HD2 LEU 94 HD23 LEU 94 -8.584 2.481 1.064 739 H VAL 95 HN VAL 95 -5.744 -1.127 3.010 740 HA VAL 95 HA VAL 95 -2.933 -0.256 2.517 741 HB VAL 95 HB VAL 95 -3.788 -3.131 2.962 742 1HG1 VAL 95 HG12 VAL 95 -1.151 -1.755 2.421 743 2HG1 VAL 95 HG11 VAL 95 -1.237 -3.369 3.128 744 3HG1 VAL 95 HG13 VAL 95 -1.895 -3.075 1.518 745 1HG2 VAL 95 HG22 VAL 95 -2.280 -1.217 4.772 746 2HG2 VAL 95 HG21 VAL 95 -3.895 -1.861 5.063 747 3HG2 VAL 95 HG23 VAL 95 -2.501 -2.939 5.080 748 H ILE 96 HN ILE 96 -2.621 -0.028 0.364 749 HA ILE 96 HA ILE 96 -4.561 -1.260 -1.508 750 HB ILE 96 HB ILE 96 -2.307 0.678 -2.100 751 1HG1 ILE 96 HG12 ILE 96 -3.889 1.651 -0.469 752 2HG1 ILE 96 HG11 ILE 96 -4.047 2.435 -2.038 753 1HG2 ILE 96 HG22 ILE 96 -3.302 -0.682 -3.991 754 2HG2 ILE 96 HG21 ILE 96 -4.843 0.108 -3.654 755 3HG2 ILE 96 HG23 ILE 96 -3.457 1.065 -4.177 756 1HD1 ILE 96 HD11 ILE 96 -5.971 0.895 -2.544 757 2HD1 ILE 96 HD13 ILE 96 -5.861 0.294 -0.889 758 3HD1 ILE 96 HD12 ILE 96 -6.274 1.982 -1.188 759 H ALA 97 HN ALA 97 -4.048 -3.176 -2.427 760 HA ALA 97 HA ALA 97 -1.184 -3.991 -2.537 761 1HB ALA 97 HB1 ALA 97 -3.280 -5.390 -1.582 762 2HB ALA 97 HB3 ALA 97 -3.354 -5.894 -3.272 763 3HB ALA 97 HB2 ALA 97 -1.887 -6.169 -2.332 764 H GLY 98 HN GLY 98 -3.993 -3.323 -4.534 765 1HA GLY 98 HA2 GLY 98 -2.664 -2.648 -6.867 766 2HA GLY 98 HA1 GLY 98 -2.845 -4.398 -6.983 767 H GLY 99 HN GLY 99 -5.905 -3.218 -8.606 768 1HA GLY 99 HA2 GLY 99 -3.158 -4.199 -8.972 769 2HA GLY 99 HA1 GLY 99 -4.333 -3.894 -10.252 770 H ALA 100 HN ALA 100 -2.691 -2.735 -11.450 771 HA ALA 100 HA ALA 100 -1.309 -0.446 -10.384 772 1HB ALA 100 HB1 ALA 100 -1.901 -1.430 -13.174 773 2HB ALA 100 HB3 ALA 100 -1.095 0.117 -12.908 774 3HB ALA 100 HB2 ALA 100 -0.351 -1.375 -12.334 775 H GLN 101 HN GLN 101 -4.446 -0.902 -11.907 776 HA GLN 101 HA GLN 101 -4.963 1.923 -12.338 777 1HB GLN 101 HB2 GLN 101 -6.871 -0.429 -12.139 778 2HB GLN 101 HB1 GLN 101 -7.302 1.184 -12.710 779 1HG GLN 101 HG2 GLN 101 -5.971 0.988 -14.646 780 2HG GLN 101 HG1 GLN 101 -5.034 -0.347 -13.973 781 1HE2 GLN 101 HE22 GLN 101 -8.890 -1.282 -15.079 782 2HE2 GLN 101 HE21 GLN 101 -8.595 0.183 -14.274 783 H ILE 102 HN ILE 102 -5.367 -0.312 -9.674 784 HA ILE 102 HA ILE 102 -7.192 1.361 -8.155 785 HB ILE 102 HB ILE 102 -5.336 -0.811 -7.144 786 1HG1 ILE 102 HG12 ILE 102 -6.744 -1.641 -8.997 787 2HG1 ILE 102 HG11 ILE 102 -7.256 -2.335 -7.461 788 1HG2 ILE 102 HG23 ILE 102 -7.700 0.666 -6.028 789 2HG2 ILE 102 HG22 ILE 102 -7.398 -0.996 -5.523 790 3HG2 ILE 102 HG21 ILE 102 -6.176 0.246 -5.245 791 1HD1 ILE 102 HD11 ILE 102 -9.023 -0.558 -7.309 792 2HD1 ILE 102 HD13 ILE 102 -8.563 -0.022 -8.925 793 3HD1 ILE 102 HD12 ILE 102 -9.235 -1.636 -8.689 794 H PHE 103 HN PHE 103 -3.678 0.945 -8.297 795 HA PHE 103 HA PHE 103 -3.026 2.518 -5.998 796 1HB PHE 103 HB2 PHE 103 -1.519 1.864 -8.536 797 2HB PHE 103 HB1 PHE 103 -0.813 2.853 -7.258 798 HD1 PHE 103 HD1 PHE 103 -1.531 1.725 -4.778 799 HD2 PHE 103 HD2 PHE 103 -0.749 -0.331 -8.469 800 HE1 PHE 103 HE1 PHE 103 -0.945 -0.326 -3.512 801 HE2 PHE 103 HE2 PHE 103 -0.163 -2.380 -7.202 802 HZ PHE 103 HZ PHE 103 -0.261 -2.378 -4.724 803 H THR 104 HN THR 104 -3.278 3.404 -9.452 804 HA THR 104 HA THR 104 -2.685 6.178 -9.098 805 HB THR 104 HB THR 104 -4.255 6.241 -11.281 806 HG1 THR 104 HG1 THR 104 -4.883 4.323 -11.790 807 1HG2 THR 104 HG21 THR 104 -1.480 5.059 -11.033 808 2HG2 THR 104 HG23 THR 104 -2.212 5.515 -12.572 809 3HG2 THR 104 HG22 THR 104 -1.900 6.743 -11.344 810 H ALA 105 HN ALA 105 -5.611 4.308 -8.647 811 HA ALA 105 HA ALA 105 -7.448 6.538 -8.621 812 1HB ALA 105 HB3 ALA 105 -7.559 3.702 -7.604 813 2HB ALA 105 HB2 ALA 105 -8.860 4.838 -7.252 814 3HB ALA 105 HB1 ALA 105 -8.470 4.434 -8.924 815 H PHE 106 HN PHE 106 -5.457 4.947 -6.177 816 HA PHE 106 HA PHE 106 -6.523 6.806 -4.105 817 1HB PHE 106 HB2 PHE 106 -4.913 4.251 -3.955 818 2HB PHE 106 HB1 PHE 106 -5.128 5.309 -2.561 819 HD1 PHE 106 HD2 PHE 106 -7.195 3.757 -5.289 820 HD2 PHE 106 HD1 PHE 106 -6.927 4.877 -1.151 821 HE1 PHE 106 HE2 PHE 106 -9.427 2.759 -4.873 822 HE2 PHE 106 HE1 PHE 106 -9.159 3.879 -0.736 823 HZ PHE 106 HZ PHE 106 -10.409 2.820 -2.597 824 H LYS 107 HN LYS 107 -4.321 7.108 -6.385 825 HA LYS 107 HA LYS 107 -1.868 7.684 -4.992 826 1HB LYS 107 HB2 LYS 107 -2.233 7.318 -7.521 827 2HB LYS 107 HB1 LYS 107 -2.733 9.009 -7.563 828 1HG LYS 107 HG2 LYS 107 -0.588 9.710 -6.636 829 2HG LYS 107 HG1 LYS 107 -0.085 8.028 -6.463 830 1HD LYS 107 HD2 LYS 107 0.025 7.702 -8.813 831 2HD LYS 107 HD1 LYS 107 -0.889 9.175 -9.138 832 1HE LYS 107 HE2 LYS 107 1.081 10.380 -7.923 833 2HE LYS 107 HE1 LYS 107 1.971 8.891 -8.244 834 1HZ LYS 107 HZ1 LYS 107 1.358 9.131 -10.602 835 2HZ LYS 107 HZ3 LYS 107 0.642 10.628 -10.250 836 3HZ LYS 107 HZ2 LYS 107 2.314 10.417 -10.037 837 H ASP 108 HN ASP 108 -4.760 9.561 -5.703 838 HA ASP 108 HA ASP 108 -3.576 12.103 -4.882 839 1HB ASP 108 HB2 ASP 108 -5.592 11.702 -6.482 840 2HB ASP 108 HB1 ASP 108 -6.536 11.555 -4.999 841 H ASP 109 HN ASP 109 -3.808 9.604 -3.038 842 HA ASP 109 HA ASP 109 -4.380 11.135 -0.612 843 1HB ASP 109 HB2 ASP 109 -6.251 9.013 -1.633 844 2HB ASP 109 HB1 ASP 109 -6.036 9.222 0.105 845 H VAL 110 HN VAL 110 -2.077 9.796 -1.668 846 HA VAL 110 HA VAL 110 -1.835 7.325 -0.043 847 HB VAL 110 HB VAL 110 -1.008 7.274 -2.369 848 1HG1 VAL 110 HG11 VAL 110 0.866 9.460 -1.414 849 2HG1 VAL 110 HG13 VAL 110 1.000 8.623 -2.961 850 3HG1 VAL 110 HG12 VAL 110 -0.408 9.630 -2.621 851 1HG2 VAL 110 HG21 VAL 110 0.181 6.131 -0.301 852 2HG2 VAL 110 HG23 VAL 110 0.942 6.093 -1.892 853 3HG2 VAL 110 HG22 VAL 110 1.478 7.263 -0.685 854 H ASP 111 HN ASP 111 -0.333 7.147 1.660 855 HA ASP 111 HA ASP 111 0.924 9.712 2.552 856 1HB ASP 111 HB2 ASP 111 -0.280 7.540 4.297 857 2HB ASP 111 HB1 ASP 111 0.488 9.020 4.873 858 H THR 112 HN THR 112 1.046 6.163 3.023 859 HA THR 112 HA THR 112 3.991 6.398 3.424 860 HB THR 112 HB THR 112 2.345 3.904 3.857 861 HG1 THR 112 HG1 THR 112 2.097 6.218 5.132 862 1HG2 THR 112 HG23 THR 112 4.827 3.760 3.838 863 2HG2 THR 112 HG22 THR 112 4.884 4.951 5.138 864 3HG2 THR 112 HG21 THR 112 4.148 3.373 5.420 865 H LEU 113 HN LEU 113 5.344 4.738 2.330 866 HA LEU 113 HA LEU 113 4.120 3.596 -0.134 867 1HB LEU 113 HB2 LEU 113 6.491 5.461 0.014 868 2HB LEU 113 HB1 LEU 113 6.253 4.366 -1.348 869 HG LEU 113 HG LEU 113 4.037 6.190 -0.427 870 1HD1 LEU 113 HD13 LEU 113 6.321 6.823 -2.316 871 2HD1 LEU 113 HD12 LEU 113 4.823 7.750 -2.250 872 3HD1 LEU 113 HD11 LEU 113 5.885 7.690 -0.843 873 1HD2 LEU 113 HD21 LEU 113 4.765 4.855 -3.054 874 2HD2 LEU 113 HD23 LEU 113 3.450 4.390 -1.974 875 3HD2 LEU 113 HD22 LEU 113 3.388 5.933 -2.827 876 H LEU 114 HN LEU 114 4.392 1.474 0.553 877 HA LEU 114 HA LEU 114 7.090 0.627 1.477 878 1HB LEU 114 HB2 LEU 114 4.415 -0.804 1.439 879 2HB LEU 114 HB1 LEU 114 5.921 -1.536 1.993 880 HG LEU 114 HG LEU 114 4.952 1.080 3.136 881 1HD1 LEU 114 HD11 LEU 114 4.262 -1.722 4.076 882 2HD1 LEU 114 HD13 LEU 114 3.943 -0.244 4.983 883 3HD1 LEU 114 HD12 LEU 114 3.127 -0.529 3.446 884 1HD2 LEU 114 HD21 LEU 114 6.832 -1.129 4.011 885 2HD2 LEU 114 HD23 LEU 114 7.231 0.554 3.668 886 3HD2 LEU 114 HD22 LEU 114 6.287 0.146 5.100 887 H VAL 115 HN VAL 115 8.411 0.182 -0.232 888 HA VAL 115 HA VAL 115 7.252 -1.365 -2.515 889 HB VAL 115 HB VAL 115 8.067 0.876 -3.154 890 1HG1 VAL 115 HG11 VAL 115 9.811 0.887 -1.262 891 2HG1 VAL 115 HG13 VAL 115 10.837 -0.033 -2.365 892 3HG1 VAL 115 HG12 VAL 115 10.302 1.589 -2.804 893 1HG2 VAL 115 HG22 VAL 115 8.342 -1.157 -4.665 894 2HG2 VAL 115 HG21 VAL 115 9.420 0.194 -5.013 895 3HG2 VAL 115 HG23 VAL 115 10.024 -1.214 -4.139 896 H THR 116 HN THR 116 8.197 -3.312 -3.023 897 HA THR 116 HA THR 116 10.475 -4.185 -1.297 898 HB THR 116 HB THR 116 8.530 -5.918 -2.849 899 HG1 THR 116 HG1 THR 116 7.210 -5.491 -1.297 900 1HG2 THR 116 HG21 THR 116 10.891 -6.726 -2.082 901 2HG2 THR 116 HG23 THR 116 10.182 -6.721 -0.468 902 3HG2 THR 116 HG22 THR 116 9.490 -7.738 -1.731 903 H ARG 117 HN ARG 117 12.307 -3.726 -2.476 904 HA ARG 117 HA ARG 117 12.359 -4.187 -5.387 905 1HB ARG 117 HB2 ARG 117 14.405 -3.145 -3.414 906 2HB ARG 117 HB1 ARG 117 14.758 -3.391 -5.123 907 1HG ARG 117 HG2 ARG 117 12.774 -1.913 -5.651 908 2HG ARG 117 HG1 ARG 117 12.684 -1.536 -3.930 909 1HD ARG 117 HD2 ARG 117 15.207 -0.933 -4.166 910 2HD ARG 117 HD1 ARG 117 14.862 -0.855 -5.893 911 HE ARG 117 HE ARG 117 12.881 0.685 -4.593 912 1HH1 ARG 117 HH11 ARG 117 16.326 0.672 -5.041 913 2HH1 ARG 117 HH12 ARG 117 16.466 2.395 -4.930 914 1HH2 ARG 117 HH21 ARG 117 13.075 2.919 -4.451 915 2HH2 ARG 117 HH22 ARG 117 14.635 3.660 -4.598 916 H LEU 118 HN LEU 118 13.555 -5.815 -6.398 917 HA LEU 118 HA LEU 118 14.703 -7.903 -4.586 918 1HB LEU 118 HB2 LEU 118 12.806 -8.073 -6.845 919 2HB LEU 118 HB1 LEU 118 14.126 -9.242 -6.919 920 HG LEU 118 HG LEU 118 13.592 -9.778 -4.472 921 1HD1 LEU 118 HD11 LEU 118 11.101 -8.223 -5.236 922 2HD1 LEU 118 HD13 LEU 118 11.242 -9.245 -3.805 923 3HD1 LEU 118 HD12 LEU 118 12.249 -7.805 -3.964 924 1HD2 LEU 118 HD21 LEU 118 12.913 -11.117 -6.552 925 2HD2 LEU 118 HD23 LEU 118 11.946 -11.391 -5.102 926 3HD2 LEU 118 HD22 LEU 118 11.327 -10.361 -6.392 927 H ALA 119 HN ALA 119 16.793 -8.495 -5.004 928 HA ALA 119 HA ALA 119 18.393 -6.951 -6.831 929 1HB ALA 119 HB3 ALA 119 19.121 -8.188 -4.675 930 2HB ALA 119 HB2 ALA 119 19.218 -9.622 -5.696 931 3HB ALA 119 HB1 ALA 119 20.228 -8.219 -6.048 932 H GLY 120 HN GLY 120 16.884 -10.141 -7.014 933 1HA GLY 120 HA2 GLY 120 18.201 -10.925 -9.474 934 2HA GLY 120 HA1 GLY 120 16.768 -11.688 -8.784 935 H SER 121 HN SER 121 17.763 -10.151 -11.473 936 HA SER 121 HA SER 121 15.543 -8.312 -11.913 937 1HB SER 121 HB2 SER 121 16.413 -8.488 -14.343 938 2HB SER 121 HB1 SER 121 17.497 -7.793 -13.140 939 HG SER 121 HG SER 121 17.455 -10.542 -13.844 940 H PHE 122 HN PHE 122 13.673 -8.701 -13.126 941 HA PHE 122 HA PHE 122 13.269 -11.377 -14.321 942 1HB PHE 122 HB2 PHE 122 11.511 -10.250 -12.122 943 2HB PHE 122 HB1 PHE 122 11.121 -11.672 -13.089 944 HD1 PHE 122 HD2 PHE 122 12.813 -13.615 -13.099 945 HD2 PHE 122 HD1 PHE 122 12.875 -10.438 -10.208 946 HE1 PHE 122 HE2 PHE 122 14.181 -15.022 -11.582 947 HE2 PHE 122 HE1 PHE 122 14.243 -11.845 -8.691 948 HZ PHE 122 HZ PHE 122 14.896 -14.138 -9.378 949 H GLU 123 HN GLU 123 12.486 -10.924 -16.312 950 HA GLU 123 HA GLU 123 11.100 -8.379 -16.829 951 1HB GLU 123 HB2 GLU 123 11.947 -10.680 -18.608 952 2HB GLU 123 HB1 GLU 123 11.063 -9.275 -19.205 953 1HG GLU 123 HG2 GLU 123 12.860 -7.799 -18.332 954 2HG GLU 123 HG1 GLU 123 13.759 -9.228 -17.818 955 H GLY 124 HN GLY 124 8.927 -8.208 -17.483 956 1HA GLY 124 HA2 GLY 124 7.286 -10.683 -17.534 957 2HA GLY 124 HA1 GLY 124 6.859 -9.439 -16.357 958 H ASP 125 HN ASP 125 5.100 -8.367 -17.108 959 HA ASP 125 HA ASP 125 5.211 -7.258 -19.866 960 1HB ASP 125 HB2 ASP 125 3.037 -8.988 -18.696 961 2HB ASP 125 HB1 ASP 125 2.669 -7.808 -19.955 962 H THR 126 HN THR 126 3.738 -7.231 -16.646 963 HA THR 126 HA THR 126 2.640 -4.519 -17.135 964 HB THR 126 HB THR 126 2.452 -6.020 -14.530 965 HG1 THR 126 HG1 THR 126 0.409 -6.787 -15.543 966 1HG2 THR 126 HG21 THR 126 1.665 -3.618 -14.855 967 2HG2 THR 126 HG23 THR 126 0.441 -4.263 -15.948 968 3HG2 THR 126 HG22 THR 126 0.450 -4.744 -14.251 969 H LYS 127 HN LYS 127 3.424 -2.693 -16.077 970 HA LYS 127 HA LYS 127 5.887 -3.086 -14.420 971 1HB LYS 127 HB2 LYS 127 5.246 -0.813 -16.327 972 2HB LYS 127 HB1 LYS 127 6.698 -0.937 -15.333 973 1HG LYS 127 HG2 LYS 127 7.348 -2.997 -16.480 974 2HG LYS 127 HG1 LYS 127 5.863 -2.959 -17.432 975 1HD LYS 127 HD2 LYS 127 6.559 -0.765 -18.379 976 2HD LYS 127 HD1 LYS 127 8.077 -0.889 -17.489 977 1HE LYS 127 HE2 LYS 127 7.105 -2.923 -19.517 978 2HE LYS 127 HE1 LYS 127 8.288 -1.659 -19.854 979 1HZ LYS 127 HZ3 LYS 127 9.576 -2.602 -17.920 980 2HZ LYS 127 HZ2 LYS 127 8.536 -3.944 -17.989 981 3HZ LYS 127 HZ1 LYS 127 9.523 -3.561 -19.318 982 H MET 128 HN MET 128 6.294 -0.997 -13.059 983 HA MET 128 HA MET 128 3.769 -0.412 -11.628 984 1HB MET 128 HB2 MET 128 5.902 -1.132 -10.439 985 2HB MET 128 HB1 MET 128 6.571 0.442 -10.866 986 1HG MET 128 HG2 MET 128 5.643 0.632 -8.647 987 2HG MET 128 HG1 MET 128 4.572 1.502 -9.745 988 1HE MET 128 HE3 MET 128 3.312 1.438 -7.614 989 2HE MET 128 HE2 MET 128 1.990 1.264 -8.765 990 3HE MET 128 HE1 MET 128 2.020 0.267 -7.313 991 H ILE 129 HN ILE 129 3.147 1.783 -11.140 992 HA ILE 129 HA ILE 129 3.570 3.625 -13.344 993 HB ILE 129 HB ILE 129 2.170 5.172 -11.952 994 1HG1 ILE 129 HG12 ILE 129 2.066 2.849 -10.007 995 2HG1 ILE 129 HG11 ILE 129 3.082 4.271 -9.761 996 1HG2 ILE 129 HG21 ILE 129 1.323 3.184 -13.433 997 2HG2 ILE 129 HG23 ILE 129 0.903 2.446 -11.887 998 3HG2 ILE 129 HG22 ILE 129 0.188 3.990 -12.350 999 1HD1 ILE 129 HD13 ILE 129 0.956 5.664 -10.053 1000 2HD1 ILE 129 HD12 ILE 129 0.064 4.150 -9.908 1001 3HD1 ILE 129 HD11 ILE 129 1.063 4.717 -8.570 1002 HA PRO 130 HA PRO 130 6.912 6.048 -11.684 1003 1HB PRO 130 HB2 PRO 130 6.155 8.553 -12.678 1004 2HB PRO 130 HB1 PRO 130 7.066 7.319 -13.560 1005 1HG PRO 130 HG2 PRO 130 4.397 8.232 -14.046 1006 2HG PRO 130 HG1 PRO 130 5.322 7.019 -14.942 1007 1HD PRO 130 HD2 PRO 130 3.189 6.626 -12.983 1008 2HD PRO 130 HD1 PRO 130 3.892 5.465 -14.121 1009 H LEU 131 HN LEU 131 6.574 6.091 -9.426 1010 HA LEU 131 HA LEU 131 4.618 7.956 -8.264 1011 1HB LEU 131 HB2 LEU 131 6.704 6.177 -6.962 1012 2HB LEU 131 HB1 LEU 131 5.466 7.089 -6.098 1013 HG LEU 131 HG LEU 131 4.762 5.120 -8.278 1014 1HD1 LEU 131 HD12 LEU 131 5.060 4.620 -5.302 1015 2HD1 LEU 131 HD11 LEU 131 4.293 3.505 -6.433 1016 3HD1 LEU 131 HD13 LEU 131 6.011 3.876 -6.588 1017 1HD2 LEU 131 HD23 LEU 131 3.071 6.803 -7.563 1018 2HD2 LEU 131 HD22 LEU 131 2.580 5.159 -7.156 1019 3HD2 LEU 131 HD21 LEU 131 3.223 6.223 -5.905 1020 H ASN 132 HN ASN 132 5.109 9.940 -7.384 1021 HA ASN 132 HA ASN 132 7.708 11.110 -8.023 1022 1HB ASN 132 HB2 ASN 132 5.400 12.282 -8.054 1023 2HB ASN 132 HB1 ASN 132 5.586 12.395 -6.303 1024 1HD2 ASN 132 HD22 ASN 132 7.431 15.360 -6.751 1025 2HD2 ASN 132 HD21 ASN 132 6.141 14.576 -5.973 1026 H TRP 133 HN TRP 133 9.137 9.844 -6.693 1027 HA TRP 133 HA TRP 133 8.804 9.588 -3.841 1028 1HB TRP 133 HB2 TRP 133 11.296 9.405 -5.564 1029 2HB TRP 133 HB1 TRP 133 11.206 8.922 -3.869 1030 HD1 TRP 133 HD1 TRP 133 10.204 7.846 -7.357 1031 HE1 TRP 133 HE1 TRP 133 9.229 5.461 -7.263 1032 HE3 TRP 133 HE3 TRP 133 9.875 7.223 -2.299 1033 HZ2 TRP 133 HZ2 TRP 133 8.417 3.543 -5.302 1034 HZ3 TRP 133 HZ3 TRP 133 8.997 5.111 -1.346 1035 HH2 TRP 133 HH2 TRP 133 8.269 3.271 -2.840 1036 H ASP 134 HN ASP 134 9.821 12.191 -5.845 1037 HA ASP 134 HA ASP 134 11.628 13.541 -4.091 1038 1HB ASP 134 HB2 ASP 134 11.101 14.086 -6.541 1039 2HB ASP 134 HB1 ASP 134 9.666 14.916 -5.937 1040 H ASP 135 HN ASP 135 8.152 13.218 -4.082 1041 HA ASP 135 HA ASP 135 7.875 15.335 -2.018 1042 1HB ASP 135 HB2 ASP 135 5.971 13.803 -3.761 1043 2HB ASP 135 HB1 ASP 135 5.376 14.513 -2.260 1044 H PHE 136 HN PHE 136 9.274 12.762 -1.508 1045 HA PHE 136 HA PHE 136 7.674 11.953 0.863 1046 1HB PHE 136 HB2 PHE 136 8.657 10.131 -1.332 1047 2HB PHE 136 HB1 PHE 136 8.407 9.528 0.306 1048 HD1 PHE 136 HD2 PHE 136 6.131 9.768 1.379 1049 HD2 PHE 136 HD1 PHE 136 6.819 10.557 -2.787 1050 HE1 PHE 136 HE2 PHE 136 3.696 9.591 0.944 1051 HE2 PHE 136 HE1 PHE 136 4.384 10.380 -3.222 1052 HZ PHE 136 HZ PHE 136 2.823 9.898 -1.357 1053 H THR 137 HN THR 137 9.144 10.372 2.226 1054 HA THR 137 HA THR 137 12.028 10.946 1.936 1055 HB THR 137 HB THR 137 10.657 11.609 4.546 1056 HG1 THR 137 HG1 THR 137 10.183 13.510 3.801 1057 1HG2 THR 137 HG21 THR 137 13.371 12.080 3.317 1058 2HG2 THR 137 HG23 THR 137 12.801 13.033 4.687 1059 3HG2 THR 137 HG22 THR 137 12.981 11.285 4.844 1060 H LYS 138 HN LYS 138 13.227 9.240 2.695 1061 HA LYS 138 HA LYS 138 11.872 6.829 3.541 1062 1HB LYS 138 HB2 LYS 138 14.111 7.066 2.251 1063 2HB LYS 138 HB1 LYS 138 14.834 7.315 3.839 1064 1HG LYS 138 HG2 LYS 138 13.792 5.165 4.594 1065 2HG LYS 138 HG1 LYS 138 13.237 4.901 2.940 1066 1HD LYS 138 HD2 LYS 138 16.145 5.430 3.548 1067 2HD LYS 138 HD1 LYS 138 15.473 3.802 3.633 1068 1HE LYS 138 HE2 LYS 138 14.688 4.007 1.298 1069 2HE LYS 138 HE1 LYS 138 15.377 5.628 1.213 1070 1HZ LYS 138 HZ1 LYS 138 17.249 3.684 2.160 1071 2HZ LYS 138 HZ3 LYS 138 16.667 3.308 0.612 1072 3HZ LYS 138 HZ2 LYS 138 17.404 4.812 0.899 1073 H VAL 139 HN VAL 139 12.254 5.717 5.603 1074 HA VAL 139 HA VAL 139 13.131 7.458 7.848 1075 HB VAL 139 HB VAL 139 11.105 6.763 9.154 1076 1HG1 VAL 139 HG11 VAL 139 11.353 8.927 7.748 1077 2HG1 VAL 139 HG13 VAL 139 10.249 8.148 6.615 1078 3HG1 VAL 139 HG12 VAL 139 9.732 8.469 8.270 1079 1HG2 VAL 139 HG21 VAL 139 10.182 5.781 6.433 1080 2HG2 VAL 139 HG23 VAL 139 10.546 4.760 7.825 1081 3HG2 VAL 139 HG22 VAL 139 9.178 5.871 7.880 1082 H SER 140 HN SER 140 12.334 4.264 6.598 1083 HA SER 140 HA SER 140 14.383 3.066 8.320 1084 1HB SER 140 HB2 SER 140 12.854 1.410 9.327 1085 2HB SER 140 HB1 SER 140 12.411 3.047 9.804 1086 HG SER 140 HG SER 140 10.537 2.174 9.135 1087 H SER 141 HN SER 141 14.906 0.882 7.626 1088 HA SER 141 HA SER 141 13.538 -0.137 5.210 1089 1HB SER 141 HB2 SER 141 15.726 -0.314 3.993 1090 2HB SER 141 HB1 SER 141 15.196 1.348 4.237 1091 HG SER 141 HG SER 141 16.966 -0.052 5.962 1092 H ARG 142 HN ARG 142 13.305 -2.285 5.537 1093 HA ARG 142 HA ARG 142 15.149 -3.653 7.428 1094 1HB ARG 142 HB2 ARG 142 12.568 -3.750 7.604 1095 2HB ARG 142 HB1 ARG 142 12.652 -4.845 6.224 1096 1HG ARG 142 HG2 ARG 142 14.120 -6.353 7.461 1097 2HG ARG 142 HG1 ARG 142 14.160 -5.235 8.826 1098 1HD ARG 142 HD2 ARG 142 11.891 -5.620 9.360 1099 2HD ARG 142 HD1 ARG 142 11.551 -6.333 7.783 1100 HE ARG 142 HE ARG 142 12.376 -8.395 8.589 1101 1HH1 ARG 142 HH21 ARG 142 13.284 -5.777 10.684 1102 2HH1 ARG 142 HH22 ARG 142 13.914 -6.823 11.913 1103 1HH2 ARG 142 HH11 ARG 142 13.196 -9.741 10.191 1104 2HH2 ARG 142 HH12 ARG 142 13.864 -9.056 11.634 1105 H THR 143 HN THR 143 16.919 -4.390 6.320 1106 HA THR 143 HA THR 143 16.663 -5.413 3.574 1107 HB THR 143 HB THR 143 19.136 -5.617 5.287 1108 HG1 THR 143 HG1 THR 143 19.578 -3.518 4.850 1109 1HG2 THR 143 HG21 THR 143 18.813 -6.566 2.876 1110 2HG2 THR 143 HG23 THR 143 18.947 -4.879 2.378 1111 3HG2 THR 143 HG22 THR 143 20.276 -5.652 3.242 1112 H VAL 144 HN VAL 144 16.842 -7.585 2.984 1113 HA VAL 144 HA VAL 144 17.303 -9.600 5.108 1114 HB VAL 144 HB VAL 144 14.862 -9.224 5.093 1115 1HG1 VAL 144 HG13 VAL 144 14.806 -8.447 2.685 1116 2HG1 VAL 144 HG12 VAL 144 14.927 -10.141 2.208 1117 3HG1 VAL 144 HG11 VAL 144 13.528 -9.579 3.123 1118 1HG2 VAL 144 HG21 VAL 144 15.847 -11.531 5.420 1119 2HG2 VAL 144 HG23 VAL 144 14.187 -11.528 4.822 1120 3HG2 VAL 144 HG22 VAL 144 15.524 -11.841 3.715 1121 H GLU 145 HN GLU 145 18.552 -11.228 4.319 1122 HA GLU 145 HA GLU 145 18.916 -11.383 1.359 1123 1HB GLU 145 HB2 GLU 145 20.886 -10.944 2.988 1124 2HB GLU 145 HB1 GLU 145 20.729 -12.649 3.412 1125 1HG GLU 145 HG2 GLU 145 21.240 -13.364 1.217 1126 2HG GLU 145 HG1 GLU 145 20.936 -11.765 0.536 1127 H ASP 146 HN ASP 146 17.954 -13.085 0.380 1128 HA ASP 146 HA ASP 146 16.859 -15.296 1.955 1129 1HB ASP 146 HB2 ASP 146 15.885 -14.175 -0.207 1130 2HB ASP 146 HB1 ASP 146 16.981 -15.269 -1.051 1131 H THR 147 HN THR 147 17.242 -17.487 0.287 1132 HA THR 147 HA THR 147 19.918 -18.315 1.044 1133 HB THR 147 HB THR 147 19.247 -20.367 -0.398 1134 HG1 THR 147 HG1 THR 147 17.568 -19.899 -1.570 1135 1HG2 THR 147 HG21 THR 147 17.593 -19.497 1.988 1136 2HG2 THR 147 HG23 THR 147 17.694 -21.150 1.383 1137 3HG2 THR 147 HG22 THR 147 19.129 -20.363 2.041 1138 H ASN 148 HN ASN 148 18.340 -17.421 -2.012 1139 HA ASN 148 HA ASN 148 20.952 -17.708 -3.409 1140 1HB ASN 148 HB2 ASN 148 18.730 -18.694 -4.306 1141 2HB ASN 148 HB1 ASN 148 18.320 -17.028 -4.719 1142 1HD2 ASN 148 HD22 ASN 148 20.848 -19.070 -7.090 1143 2HD2 ASN 148 HD21 ASN 148 19.990 -19.804 -5.823 1144 HA PRO 149 HA PRO 149 21.854 -13.348 -3.187 1145 1HB PRO 149 HB2 PRO 149 22.789 -13.312 -5.933 1146 2HB PRO 149 HB1 PRO 149 23.730 -13.199 -4.440 1147 1HG PRO 149 HG2 PRO 149 23.448 -15.441 -6.208 1148 2HG PRO 149 HG1 PRO 149 24.455 -15.296 -4.762 1149 1HD PRO 149 HD2 PRO 149 22.173 -16.904 -5.039 1150 2HD PRO 149 HD1 PRO 149 23.001 -16.508 -3.526 1151 H ALA 150 HN ALA 150 20.423 -14.531 -6.243 1152 HA ALA 150 HA ALA 150 19.287 -12.019 -7.029 1153 1HB ALA 150 HB1 ALA 150 18.368 -14.834 -7.688 1154 2HB ALA 150 HB3 ALA 150 17.882 -13.371 -8.545 1155 3HB ALA 150 HB2 ALA 150 19.562 -13.906 -8.595 1156 H LEU 151 HN LEU 151 18.239 -14.509 -4.803 1157 HA LEU 151 HA LEU 151 15.489 -13.527 -4.638 1158 1HB LEU 151 HB2 LEU 151 17.110 -15.544 -3.084 1159 2HB LEU 151 HB1 LEU 151 15.498 -15.060 -2.555 1160 HG LEU 151 HG LEU 151 16.089 -16.058 -5.351 1161 1HD1 LEU 151 HD11 LEU 151 16.526 -17.719 -3.420 1162 2HD1 LEU 151 HD13 LEU 151 14.784 -17.661 -3.151 1163 3HD1 LEU 151 HD12 LEU 151 15.420 -18.233 -4.693 1164 1HD2 LEU 151 HD23 LEU 151 13.583 -15.520 -3.740 1165 2HD2 LEU 151 HD22 LEU 151 14.059 -14.793 -5.275 1166 3HD2 LEU 151 HD21 LEU 151 13.570 -16.487 -5.216 1167 H THR 152 HN THR 152 17.990 -11.813 -3.972 1168 HA THR 152 HA THR 152 17.516 -11.157 -1.135 1169 HB THR 152 HB THR 152 19.308 -9.776 -3.157 1170 HG1 THR 152 HG1 THR 152 20.888 -11.115 -2.428 1171 1HG2 THR 152 HG23 THR 152 18.997 -9.649 -0.160 1172 2HG2 THR 152 HG22 THR 152 20.503 -9.179 -0.947 1173 3HG2 THR 152 HG21 THR 152 19.009 -8.320 -1.319 1174 H HIS 153 HN HIS 153 16.423 -9.331 -0.427 1175 HA HIS 153 HA HIS 153 15.595 -7.254 -2.339 1176 1HB HIS 153 HB2 HIS 153 13.168 -7.546 -1.761 1177 2HB HIS 153 HB1 HIS 153 13.829 -8.881 -2.703 1178 HD1 HIS 153 HD1 HIS 153 14.655 -11.011 -1.192 1179 HD2 HIS 153 HD2 HIS 153 12.024 -8.344 0.635 1180 HE1 HIS 153 HE1 HIS 153 13.685 -12.221 0.809 1181 H THR 154 HN THR 154 14.476 -5.453 -1.189 1182 HA THR 154 HA THR 154 14.952 -5.462 1.757 1183 HB THR 154 HB THR 154 15.641 -3.136 -0.058 1184 HG1 THR 154 HG1 THR 154 16.926 -5.272 -0.059 1185 1HG2 THR 154 HG22 THR 154 15.782 -3.713 2.873 1186 2HG2 THR 154 HG21 THR 154 17.043 -2.707 2.159 1187 3HG2 THR 154 HG23 THR 154 15.353 -2.216 2.045 1188 H TYR 155 HN TYR 155 13.301 -4.521 2.901 1189 HA TYR 155 HA TYR 155 10.968 -3.554 1.363 1190 1HB TYR 155 HB2 TYR 155 11.349 -4.126 4.317 1191 2HB TYR 155 HB1 TYR 155 9.827 -3.616 3.586 1192 HD1 TYR 155 HD2 TYR 155 8.648 -5.085 1.974 1193 HD2 TYR 155 HD1 TYR 155 12.199 -6.368 4.022 1194 HE1 TYR 155 HE2 TYR 155 8.157 -7.435 1.352 1195 HE2 TYR 155 HE1 TYR 155 11.708 -8.718 3.401 1196 HH TYR 155 HH TYR 155 8.843 -9.812 2.472 1197 H GLU 156 HN GLU 156 11.591 -1.464 0.705 1198 HA GLU 156 HA GLU 156 12.708 0.462 2.586 1199 1HB GLU 156 HB2 GLU 156 11.627 0.666 -0.231 1200 2HB GLU 156 HB1 GLU 156 12.161 2.085 0.672 1201 1HG GLU 156 HG2 GLU 156 14.360 0.877 1.060 1202 2HG GLU 156 HG1 GLU 156 13.812 -0.330 -0.105 1203 H VAL 157 HN VAL 157 11.603 2.001 3.761 1204 HA VAL 157 HA VAL 157 8.630 2.084 3.434 1205 HB VAL 157 HB VAL 157 10.161 2.339 6.040 1206 1HG1 VAL 157 HG12 VAL 157 7.206 2.081 5.399 1207 2HG1 VAL 157 HG11 VAL 157 7.893 2.095 7.024 1208 3HG1 VAL 157 HG13 VAL 157 8.014 3.527 6.003 1209 1HG2 VAL 157 HG21 VAL 157 8.914 0.005 4.625 1210 2HG2 VAL 157 HG23 VAL 157 10.396 0.068 5.581 1211 3HG2 VAL 157 HG22 VAL 157 8.827 0.076 6.385 1212 H TRP 158 HN TRP 158 8.084 4.074 2.704 1213 HA TRP 158 HA TRP 158 9.714 6.412 3.617 1214 1HB TRP 158 HB2 TRP 158 8.059 6.039 1.102 1215 2HB TRP 158 HB1 TRP 158 8.853 7.545 1.560 1216 HD1 TRP 158 HD1 TRP 158 9.909 3.832 1.176 1217 HE1 TRP 158 HE1 TRP 158 12.237 3.778 0.070 1218 HE3 TRP 158 HE3 TRP 158 10.780 8.842 0.711 1219 HZ2 TRP 158 HZ2 TRP 158 14.208 5.618 -0.886 1220 HZ3 TRP 158 HZ3 TRP 158 12.888 9.664 -0.299 1221 HH2 TRP 158 HH2 TRP 158 14.602 8.060 -1.097 1222 H GLN 159 HN GLN 159 8.344 8.494 3.659 1223 HA GLN 159 HA GLN 159 5.500 8.047 4.340 1224 1HB GLN 159 HB2 GLN 159 7.588 9.045 6.289 1225 2HB GLN 159 HB1 GLN 159 5.868 9.373 6.500 1226 1HG GLN 159 HG2 GLN 159 5.542 6.825 6.227 1227 2HG GLN 159 HG1 GLN 159 7.279 6.707 6.511 1228 1HE2 GLN 159 HE22 GLN 159 6.679 6.739 9.977 1229 2HE2 GLN 159 HE21 GLN 159 7.460 6.008 8.661 1230 H LYS 160 HN LYS 160 4.259 9.877 3.946 1231 HA LYS 160 HA LYS 160 5.460 11.991 2.370 1232 1HB LYS 160 HB2 LYS 160 3.077 11.096 2.156 1233 2HB LYS 160 HB1 LYS 160 2.699 12.020 3.610 1234 1HG LYS 160 HG2 LYS 160 3.224 14.092 2.550 1235 2HG LYS 160 HG1 LYS 160 3.992 13.280 1.184 1236 1HD LYS 160 HD2 LYS 160 1.666 12.187 0.805 1237 2HD LYS 160 HD1 LYS 160 1.058 13.474 1.847 1238 1HE LYS 160 HE2 LYS 160 2.820 14.057 -0.536 1239 2HE LYS 160 HE1 LYS 160 1.066 13.948 -0.679 1240 1HZ LYS 160 HZ2 LYS 160 2.518 15.752 1.181 1241 2HZ LYS 160 HZ1 LYS 160 1.824 16.225 -0.297 1242 3HZ LYS 160 HZ3 LYS 160 0.835 15.676 0.967 1243 H LYS 161 HN LYS 161 6.603 13.629 3.262 1244 HA LYS 161 HA LYS 161 5.509 15.159 5.500 1245 1HB LYS 161 HB2 LYS 161 6.771 13.159 6.518 1246 2HB LYS 161 HB1 LYS 161 8.238 13.924 5.904 1247 1HG LYS 161 HG2 LYS 161 7.571 16.020 7.127 1248 2HG LYS 161 HG1 LYS 161 6.248 15.110 7.858 1249 1HD LYS 161 HD2 LYS 161 8.104 13.419 8.555 1250 2HD LYS 161 HD1 LYS 161 9.214 14.753 8.239 1251 1HE LYS 161 HE2 LYS 161 8.198 16.130 9.893 1252 2HE LYS 161 HE1 LYS 161 6.788 15.077 10.012 1253 1HZ LYS 161 HZ1 LYS 161 9.483 14.053 10.628 1254 2HZ LYS 161 HZ3 LYS 161 8.604 14.911 11.796 1255 3HZ LYS 161 HZ2 LYS 161 7.974 13.472 11.149 1256 H ALA 162 HN ALA 162 5.685 17.062 4.359 1257 HA ALA 162 HA ALA 162 7.967 17.695 2.682 1258 1HB ALA 162 HB3 ALA 162 5.596 18.621 2.446 1259 2HB ALA 162 HB2 ALA 162 5.968 19.664 3.819 1260 3HB ALA 162 HB1 ALA 162 6.898 19.806 2.327 1261 1H9 TMQ 170 H91 TMQ 170 0.044 -10.546 -6.333 1262 2H9 TMQ 170 H92 TMQ 170 -0.821 -11.365 -5.024 1263 HN1 TMQ 170 H1N TMQ 170 1.305 -12.484 -6.667 1264 1H17 TMQ 170 HM1 TMQ 170 -0.183 -7.523 -5.092 1265 2H17 TMQ 170 HM2 TMQ 170 -1.183 -8.175 -3.787 1266 3H17 TMQ 170 HM3 TMQ 170 -0.984 -9.081 -5.286 1267 1H21 TMQ 170 HW11 TMQ 170 -2.195 -13.291 -2.288 1268 2H21 TMQ 170 HW12 TMQ 170 -0.749 -12.913 -1.339 1269 3H21 TMQ 170 HW13 TMQ 170 -2.093 -13.789 -0.592 1270 1H22 TMQ 170 HI1 TMQ 170 0.689 -16.852 -1.765 1271 2H22 TMQ 170 HI2 TMQ 170 0.273 -18.561 -1.972 1272 3H22 TMQ 170 HI3 TMQ 170 1.387 -17.777 -3.104 1273 1H23 TMQ 170 HW21 TMQ 170 0.887 -16.704 -7.819 1274 2H23 TMQ 170 HW22 TMQ 170 1.475 -18.319 -7.390 1275 3H23 TMQ 170 HW23 TMQ 170 2.228 -16.884 -6.677 1276 1HN2 TMQ 170 HN21 TMQ 170 5.053 -7.493 0.131 1277 2HN2 TMQ 170 HN22 TMQ 170 4.153 -6.014 0.180 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.211 -6.485 -3.397 1279 2HN5 TMQ 170 HN42 TMQ 170 0.461 -5.347 -2.314 1280 HN TMQ 170 H1 TMQ 170 4.373 -9.192 -1.238 1281 H7 TMQ 170 H7 TMQ 170 2.369 -12.154 -4.250 1282 H8 TMQ 170 H8 TMQ 170 3.851 -11.114 -2.596 1283 H12 TMQ 170 HP2 TMQ 170 -0.230 -12.681 -3.393 1284 H16 TMQ 170 HP6 TMQ 170 0.910 -14.863 -6.944 No H/Q in entry = 1284 Start of MODEL 7 1 1H THR 1 HT3 THR 1 -2.643 5.982 4.710 2 2H THR 1 HT2 THR 1 -2.993 6.728 3.225 3 3H THR 1 HT1 THR 1 -4.255 6.253 4.259 4 HA THR 1 HA THR 1 -4.045 4.038 3.767 5 HB THR 1 HB THR 1 -3.001 5.321 1.230 6 HG1 THR 1 HG1 THR 1 -4.737 6.516 2.065 7 1HG2 THR 1 HG21 THR 1 -3.190 2.853 1.248 8 2HG2 THR 1 HG23 THR 1 -4.880 2.995 1.730 9 3HG2 THR 1 HG22 THR 1 -4.362 3.584 0.151 10 H ALA 2 HN ALA 2 -2.700 2.214 3.102 11 HA ALA 2 HA ALA 2 0.222 2.780 3.416 12 1HB ALA 2 HB1 ALA 2 -1.466 0.430 4.299 13 2HB ALA 2 HB3 ALA 2 0.294 0.348 4.218 14 3HB ALA 2 HB2 ALA 2 -0.487 1.500 5.302 15 H PHE 3 HN PHE 3 0.865 2.855 1.268 16 HA PHE 3 HA PHE 3 -0.146 0.987 -0.724 17 1HB PHE 3 HB2 PHE 3 1.943 3.140 -0.661 18 2HB PHE 3 HB1 PHE 3 1.952 1.978 -1.986 19 HD1 PHE 3 HD1 PHE 3 -0.778 3.696 -0.056 20 HD2 PHE 3 HD2 PHE 3 0.966 2.867 -3.893 21 HE1 PHE 3 HE1 PHE 3 -2.623 4.930 -1.162 22 HE2 PHE 3 HE2 PHE 3 -0.879 4.100 -4.998 23 HZ PHE 3 HZ PHE 3 -2.674 5.132 -3.633 24 H LEU 4 HN LEU 4 0.679 -0.993 -1.221 25 HA LEU 4 HA LEU 4 3.453 -1.678 -0.440 26 1HB LEU 4 HB2 LEU 4 1.990 -2.298 1.496 27 2HB LEU 4 HB1 LEU 4 1.070 -3.348 0.420 28 HG LEU 4 HG LEU 4 3.349 -4.435 -0.147 29 1HD1 LEU 4 HD11 LEU 4 3.996 -2.810 2.317 30 2HD1 LEU 4 HD13 LEU 4 4.896 -4.272 1.907 31 3HD1 LEU 4 HD12 LEU 4 4.891 -2.899 0.800 32 1HD2 LEU 4 HD23 LEU 4 1.876 -4.682 2.475 33 2HD2 LEU 4 HD22 LEU 4 1.811 -5.749 1.071 34 3HD2 LEU 4 HD21 LEU 4 3.242 -5.733 2.102 35 H TRP 5 HN TRP 5 4.264 -2.411 -2.348 36 HA TRP 5 HA TRP 5 2.735 -4.489 -3.811 37 1HB TRP 5 HB2 TRP 5 3.100 -3.377 -5.972 38 2HB TRP 5 HB1 TRP 5 2.167 -2.338 -4.899 39 HD1 TRP 5 HD1 TRP 5 5.161 -2.347 -7.032 40 HE1 TRP 5 HE1 TRP 5 6.592 -0.242 -6.622 41 HE3 TRP 5 HE3 TRP 5 2.997 -0.622 -2.735 42 HZ2 TRP 5 HZ2 TRP 5 6.794 1.887 -4.728 43 HZ3 TRP 5 HZ3 TRP 5 3.833 1.442 -1.651 44 HH2 TRP 5 HH2 TRP 5 5.725 2.699 -2.642 45 H ALA 6 HN ALA 6 4.072 -5.937 -4.966 46 HA ALA 6 HA ALA 6 6.946 -5.802 -4.215 47 1HB ALA 6 HB2 ALA 6 5.539 -7.873 -3.761 48 2HB ALA 6 HB1 ALA 6 5.470 -8.110 -5.507 49 3HB ALA 6 HB3 ALA 6 7.022 -8.160 -4.671 50 H GLN 7 HN GLN 7 8.233 -4.859 -5.721 51 HA GLN 7 HA GLN 7 7.763 -5.539 -8.590 52 1HB GLN 7 HB2 GLN 7 8.418 -3.187 -9.163 53 2HB GLN 7 HB1 GLN 7 6.895 -3.289 -8.280 54 1HG GLN 7 HG2 GLN 7 7.848 -2.501 -6.285 55 2HG GLN 7 HG1 GLN 7 9.485 -2.917 -6.793 56 1HE2 GLN 7 HE22 GLN 7 9.593 -0.038 -9.097 57 2HE2 GLN 7 HE21 GLN 7 9.894 -1.707 -9.166 58 H ASP 8 HN ASP 8 9.686 -5.620 -9.859 59 HA ASP 8 HA ASP 8 12.158 -5.958 -8.239 60 1HB ASP 8 HB2 ASP 8 13.027 -7.052 -10.350 61 2HB ASP 8 HB1 ASP 8 11.651 -7.871 -9.615 62 H ARG 9 HN ARG 9 14.227 -5.276 -9.488 63 HA ARG 9 HA ARG 9 14.186 -2.452 -9.877 64 1HB ARG 9 HB2 ARG 9 16.492 -2.784 -10.802 65 2HB ARG 9 HB1 ARG 9 16.241 -3.590 -9.253 66 1HG ARG 9 HG2 ARG 9 15.948 -5.725 -10.317 67 2HG ARG 9 HG1 ARG 9 15.890 -4.984 -11.917 68 1HD ARG 9 HD2 ARG 9 18.101 -5.917 -11.619 69 2HD ARG 9 HD1 ARG 9 18.241 -4.160 -11.537 70 HE ARG 9 HE ARG 9 17.907 -4.895 -8.895 71 1HH1 ARG 9 HH21 ARG 9 20.047 -5.861 -11.455 72 2HH1 ARG 9 HH22 ARG 9 21.350 -6.250 -10.381 73 1HH2 ARG 9 HH11 ARG 9 19.602 -5.403 -7.511 74 2HH2 ARG 9 HH12 ARG 9 21.098 -5.990 -8.159 75 H ASP 10 HN ASP 10 13.442 -5.051 -12.031 76 HA ASP 10 HA ASP 10 13.957 -3.577 -14.496 77 1HB ASP 10 HB2 ASP 10 12.518 -6.148 -13.835 78 2HB ASP 10 HB1 ASP 10 12.494 -5.471 -15.465 79 H GLY 11 HN GLY 11 11.967 -2.679 -12.226 80 1HA GLY 11 HA2 GLY 11 9.986 -1.423 -12.173 81 2HA GLY 11 HA1 GLY 11 10.179 -1.228 -13.915 82 H LEU 12 HN LEU 12 9.810 -4.288 -12.162 83 HA LEU 12 HA LEU 12 7.349 -4.798 -13.775 84 1HB LEU 12 HB2 LEU 12 9.533 -6.336 -13.692 85 2HB LEU 12 HB1 LEU 12 8.724 -6.976 -12.261 86 HG LEU 12 HG LEU 12 6.626 -7.160 -13.744 87 1HD1 LEU 12 HD13 LEU 12 7.743 -5.704 -15.546 88 2HD1 LEU 12 HD12 LEU 12 8.677 -7.141 -15.965 89 3HD1 LEU 12 HD11 LEU 12 6.918 -7.161 -16.106 90 1HD2 LEU 12 HD22 LEU 12 8.415 -8.983 -13.036 91 2HD2 LEU 12 HD21 LEU 12 7.178 -9.368 -14.234 92 3HD2 LEU 12 HD23 LEU 12 8.811 -8.952 -14.755 93 H ILE 13 HN ILE 13 5.674 -6.165 -12.614 94 HA ILE 13 HA ILE 13 5.645 -5.815 -9.670 95 HB ILE 13 HB ILE 13 3.329 -4.857 -9.792 96 1HG1 ILE 13 HG12 ILE 13 3.998 -4.421 -12.718 97 2HG1 ILE 13 HG11 ILE 13 2.921 -5.694 -12.144 98 1HG2 ILE 13 HG22 ILE 13 5.520 -3.278 -11.177 99 2HG2 ILE 13 HG21 ILE 13 4.069 -2.580 -10.456 100 3HG2 ILE 13 HG23 ILE 13 5.262 -3.385 -9.436 101 1HD1 ILE 13 HD11 ILE 13 2.459 -2.840 -11.315 102 2HD1 ILE 13 HD13 ILE 13 1.882 -3.413 -12.880 103 3HD1 ILE 13 HD12 ILE 13 1.304 -4.171 -11.395 104 H GLY 14 HN GLY 14 4.356 -7.261 -12.595 105 1HA GLY 14 HA2 GLY 14 3.633 -9.675 -11.082 106 2HA GLY 14 HA1 GLY 14 2.275 -8.854 -11.855 107 H LYS 15 HN LYS 15 2.422 -11.190 -12.890 108 HA LYS 15 HA LYS 15 3.204 -10.851 -15.628 109 1HB LYS 15 HB2 LYS 15 5.465 -11.186 -14.517 110 2HB LYS 15 HB1 LYS 15 4.932 -12.814 -14.102 111 1HG LYS 15 HG2 LYS 15 4.435 -13.163 -16.568 112 2HG LYS 15 HG1 LYS 15 5.268 -11.638 -16.870 113 1HD LYS 15 HD2 LYS 15 7.338 -12.479 -16.093 114 2HD LYS 15 HD1 LYS 15 6.574 -13.847 -15.281 115 1HE LYS 15 HE2 LYS 15 7.485 -14.796 -17.244 116 2HE LYS 15 HE1 LYS 15 5.785 -14.552 -17.644 117 1HZ LYS 15 HZ3 LYS 15 6.408 -12.423 -18.665 118 2HZ LYS 15 HZ2 LYS 15 8.045 -12.763 -18.358 119 3HZ LYS 15 HZ1 LYS 15 7.155 -13.744 -19.423 120 H ASP 16 HN ASP 16 1.553 -11.957 -16.543 121 HA ASP 16 HA ASP 16 0.007 -13.662 -16.990 122 1HB ASP 16 HB2 ASP 16 2.396 -15.065 -15.902 123 2HB ASP 16 HB1 ASP 16 0.891 -15.986 -15.937 124 H GLY 17 HN GLY 17 -0.309 -12.063 -14.584 125 1HA GLY 17 HA2 GLY 17 -1.988 -12.078 -12.904 126 2HA GLY 17 HA1 GLY 17 -2.198 -13.810 -13.167 127 H HIS 18 HN HIS 18 0.076 -14.998 -12.620 128 HA HIS 18 HA HIS 18 0.454 -14.560 -9.760 129 1HB HIS 18 HB2 HIS 18 2.061 -16.478 -9.969 130 2HB HIS 18 HB1 HIS 18 0.454 -16.842 -10.597 131 HD1 HIS 18 HD1 HIS 18 3.958 -16.021 -11.749 132 HD2 HIS 18 HD2 HIS 18 0.349 -17.336 -13.369 133 HE1 HIS 18 HE1 HIS 18 4.453 -16.711 -14.135 134 H LEU 19 HN LEU 19 2.909 -14.679 -9.008 135 HA LEU 19 HA LEU 19 4.168 -12.251 -10.016 136 1HB LEU 19 HB2 LEU 19 4.799 -14.249 -7.857 137 2HB LEU 19 HB1 LEU 19 6.021 -13.079 -8.355 138 HG LEU 19 HG LEU 19 3.236 -12.139 -7.735 139 1HD1 LEU 19 HD11 LEU 19 5.401 -12.900 -5.769 140 2HD1 LEU 19 HD13 LEU 19 4.169 -11.701 -5.377 141 3HD1 LEU 19 HD12 LEU 19 3.697 -13.360 -5.748 142 1HD2 LEU 19 HD22 LEU 19 6.023 -10.954 -7.552 143 2HD2 LEU 19 HD21 LEU 19 4.773 -10.539 -8.724 144 3HD2 LEU 19 HD23 LEU 19 4.560 -10.120 -7.024 145 HA PRO 20 HA PRO 20 7.011 -14.144 -12.872 146 1HB PRO 20 HB2 PRO 20 9.060 -12.255 -12.685 147 2HB PRO 20 HB1 PRO 20 7.629 -12.127 -13.717 148 1HG PRO 20 HG2 PRO 20 8.302 -10.562 -11.408 149 2HG PRO 20 HG1 PRO 20 6.907 -10.396 -12.483 150 1HD PRO 20 HD2 PRO 20 7.035 -11.576 -9.818 151 2HD PRO 20 HD1 PRO 20 5.615 -11.136 -10.781 152 H TRP 21 HN TRP 21 8.266 -13.165 -9.713 153 HA TRP 21 HA TRP 21 10.424 -15.216 -9.973 154 1HB TRP 21 HB2 TRP 21 11.448 -14.037 -8.009 155 2HB TRP 21 HB1 TRP 21 11.291 -13.009 -9.432 156 HD1 TRP 21 HD1 TRP 21 9.522 -13.732 -6.088 157 HE1 TRP 21 HE1 TRP 21 8.232 -11.615 -5.378 158 HE3 TRP 21 HE3 TRP 21 10.318 -10.796 -10.190 159 HZ2 TRP 21 HZ2 TRP 21 7.619 -9.020 -6.414 160 HZ3 TRP 21 HZ3 TRP 21 9.372 -8.508 -10.301 161 HH2 TRP 21 HH2 TRP 21 8.025 -7.617 -8.421 162 H HIS 22 HN HIS 22 10.936 -15.803 -7.365 163 HA HIS 22 HA HIS 22 8.341 -16.669 -6.179 164 1HB HIS 22 HB2 HIS 22 9.489 -18.494 -7.588 165 2HB HIS 22 HB1 HIS 22 10.729 -18.514 -6.334 166 HD1 HIS 22 HD1 HIS 22 6.901 -18.520 -6.335 167 HD2 HIS 22 HD2 HIS 22 10.098 -20.414 -4.447 168 HE1 HIS 22 HE1 HIS 22 5.891 -20.173 -4.702 169 H LEU 23 HN LEU 23 8.719 -15.010 -4.587 170 HA LEU 23 HA LEU 23 11.048 -15.515 -2.783 171 1HB LEU 23 HB2 LEU 23 10.776 -13.213 -3.822 172 2HB LEU 23 HB1 LEU 23 9.301 -13.041 -2.871 173 HG LEU 23 HG LEU 23 10.639 -13.490 -0.805 174 1HD1 LEU 23 HD12 LEU 23 12.840 -13.592 -2.859 175 2HD1 LEU 23 HD11 LEU 23 13.186 -13.102 -1.201 176 3HD1 LEU 23 HD13 LEU 23 12.520 -14.702 -1.527 177 1HD2 LEU 23 HD22 LEU 23 10.308 -11.151 -2.132 178 2HD2 LEU 23 HD21 LEU 23 11.161 -11.265 -0.593 179 3HD2 LEU 23 HD23 LEU 23 12.070 -11.227 -2.103 180 HA PRO 24 HA PRO 24 7.409 -17.519 -0.635 181 1HB PRO 24 HB2 PRO 24 9.509 -18.527 1.122 182 2HB PRO 24 HB1 PRO 24 8.373 -19.427 0.109 183 1HG PRO 24 HG2 PRO 24 11.144 -18.915 -0.369 184 2HG PRO 24 HG1 PRO 24 10.009 -19.829 -1.371 185 1HD PRO 24 HD2 PRO 24 11.167 -17.350 -2.009 186 2HD PRO 24 HD1 PRO 24 9.812 -18.124 -2.845 187 H ASP 25 HN ASP 25 10.231 -15.822 0.707 188 HA ASP 25 HA ASP 25 9.142 -15.288 3.295 189 1HB ASP 25 HB2 ASP 25 11.560 -14.893 2.239 190 2HB ASP 25 HB1 ASP 25 10.916 -13.271 1.984 191 H ASP 26 HN ASP 26 8.949 -13.505 0.227 192 HA ASP 26 HA ASP 26 7.581 -11.210 1.284 193 1HB ASP 26 HB2 ASP 26 8.704 -11.300 -0.954 194 2HB ASP 26 HB1 ASP 26 7.407 -12.352 -1.520 195 H LEU 27 HN LEU 27 6.491 -14.360 0.136 196 HA LEU 27 HA LEU 27 3.680 -13.701 0.041 197 1HB LEU 27 HB2 LEU 27 5.068 -16.378 0.380 198 2HB LEU 27 HB1 LEU 27 3.354 -16.165 0.020 199 HG LEU 27 HG LEU 27 5.600 -15.091 -1.710 200 1HD1 LEU 27 HD12 LEU 27 4.170 -17.706 -1.641 201 2HD1 LEU 27 HD11 LEU 27 4.445 -16.986 -3.227 202 3HD1 LEU 27 HD13 LEU 27 5.811 -17.336 -2.168 203 1HD2 LEU 27 HD22 LEU 27 2.590 -15.152 -1.892 204 2HD2 LEU 27 HD21 LEU 27 3.682 -13.787 -2.129 205 3HD2 LEU 27 HD23 LEU 27 3.577 -15.054 -3.351 206 H HIS 28 HN HIS 28 5.890 -14.563 2.589 207 HA HIS 28 HA HIS 28 3.765 -15.271 4.491 208 1HB HIS 28 HB2 HIS 28 6.760 -14.940 4.695 209 2HB HIS 28 HB1 HIS 28 5.759 -15.168 6.128 210 HD1 HIS 28 HD1 HIS 28 3.859 -17.294 5.524 211 HD2 HIS 28 HD2 HIS 28 7.701 -17.405 3.912 212 HE1 HIS 28 HE1 HIS 28 4.302 -19.707 4.894 213 H TYR 29 HN TYR 29 5.667 -12.457 3.612 214 HA TYR 29 HA TYR 29 4.963 -10.901 5.966 215 1HB TYR 29 HB2 TYR 29 6.962 -10.542 4.367 216 2HB TYR 29 HB1 TYR 29 5.798 -9.755 3.302 217 HD1 TYR 29 HD2 TYR 29 6.527 -9.784 6.991 218 HD2 TYR 29 HD1 TYR 29 5.746 -7.441 3.476 219 HE1 TYR 29 HE2 TYR 29 6.695 -7.708 8.338 220 HE2 TYR 29 HE1 TYR 29 5.915 -5.365 4.823 221 HH TYR 29 HH TYR 29 5.725 -4.644 7.118 222 H PHE 30 HN PHE 30 3.493 -11.565 2.876 223 HA PHE 30 HA PHE 30 1.725 -9.305 2.753 224 1HB PHE 30 HB2 PHE 30 2.226 -10.917 0.865 225 2HB PHE 30 HB1 PHE 30 1.184 -12.085 1.677 226 HD1 PHE 30 HD1 PHE 30 1.180 -8.523 0.500 227 HD2 PHE 30 HD2 PHE 30 -1.104 -12.094 1.200 228 HE1 PHE 30 HE1 PHE 30 -0.814 -7.446 -0.506 229 HE2 PHE 30 HE2 PHE 30 -3.098 -11.016 0.195 230 HZ PHE 30 HZ PHE 30 -2.953 -8.692 -0.659 231 H ARG 31 HN ARG 31 1.314 -12.596 4.073 232 HA ARG 31 HA ARG 31 -1.389 -12.217 4.957 233 1HB ARG 31 HB2 ARG 31 -0.066 -14.420 4.721 234 2HB ARG 31 HB1 ARG 31 0.609 -14.038 6.307 235 1HG ARG 31 HG2 ARG 31 -1.497 -14.153 7.365 236 2HG ARG 31 HG1 ARG 31 -2.369 -14.003 5.840 237 1HD ARG 31 HD2 ARG 31 -0.596 -16.364 6.509 238 2HD ARG 31 HD1 ARG 31 -2.334 -16.343 6.811 239 HE ARG 31 HE ARG 31 -2.082 -15.633 4.129 240 1HH1 ARG 31 HH21 ARG 31 -1.079 -18.288 6.132 241 2HH1 ARG 31 HH22 ARG 31 -1.143 -19.441 4.842 242 1HH2 ARG 31 HH11 ARG 31 -2.160 -17.138 2.462 243 2HH2 ARG 31 HH12 ARG 31 -1.752 -18.792 2.774 244 H ALA 32 HN ALA 32 1.734 -11.440 6.372 245 HA ALA 32 HA ALA 32 0.672 -10.875 9.025 246 1HB ALA 32 HB1 ALA 32 3.300 -10.326 7.644 247 2HB ALA 32 HB3 ALA 32 2.954 -9.686 9.251 248 3HB ALA 32 HB2 ALA 32 2.975 -11.428 8.981 249 H GLN 33 HN GLN 33 1.230 -9.054 6.070 250 HA GLN 33 HA GLN 33 0.491 -6.520 7.438 251 1HB GLN 33 HB2 GLN 33 1.647 -7.180 4.729 252 2HB GLN 33 HB1 GLN 33 0.973 -5.587 5.073 253 1HG GLN 33 HG2 GLN 33 2.994 -6.825 6.932 254 2HG GLN 33 HG1 GLN 33 3.517 -5.964 5.483 255 1HE2 GLN 33 HE22 GLN 33 1.773 -3.854 8.545 256 2HE2 GLN 33 HE21 GLN 33 1.570 -5.538 8.470 257 H THR 34 HN THR 34 -1.468 -8.671 7.025 258 HA THR 34 HA THR 34 -3.447 -7.100 5.451 259 HB THR 34 HB THR 34 -4.317 -9.329 4.553 260 HG1 THR 34 HG1 THR 34 -1.731 -10.299 4.909 261 1HG2 THR 34 HG22 THR 34 -1.644 -8.176 3.749 262 2HG2 THR 34 HG21 THR 34 -2.429 -9.453 2.820 263 3HG2 THR 34 HG23 THR 34 -3.220 -7.889 3.012 264 H VAL 35 HN VAL 35 -2.762 -9.585 7.862 265 HA VAL 35 HA VAL 35 -5.501 -9.949 8.707 266 HB VAL 35 HB VAL 35 -4.453 -10.975 10.742 267 1HG1 VAL 35 HG12 VAL 35 -3.422 -11.754 8.003 268 2HG1 VAL 35 HG11 VAL 35 -3.189 -12.754 9.437 269 3HG1 VAL 35 HG13 VAL 35 -4.819 -12.415 8.854 270 1HG2 VAL 35 HG22 VAL 35 -1.937 -9.977 9.376 271 2HG2 VAL 35 HG21 VAL 35 -2.498 -9.586 11.002 272 3HG2 VAL 35 HG23 VAL 35 -1.929 -11.214 10.632 273 H GLY 36 HN GLY 36 -6.710 -8.628 9.976 274 1HA GLY 36 HA2 GLY 36 -7.191 -7.065 11.699 275 2HA GLY 36 HA1 GLY 36 -5.459 -6.887 11.984 276 H LYS 37 HN LYS 37 -6.932 -6.578 8.804 277 HA LYS 37 HA LYS 37 -6.932 -3.644 8.904 278 1HB LYS 37 HB2 LYS 37 -4.853 -5.223 7.392 279 2HB LYS 37 HB1 LYS 37 -5.342 -3.614 6.859 280 1HG LYS 37 HG2 LYS 37 -4.902 -2.903 9.318 281 2HG LYS 37 HG1 LYS 37 -3.995 -4.411 9.434 282 1HD LYS 37 HD2 LYS 37 -2.690 -3.693 7.401 283 2HD LYS 37 HD1 LYS 37 -3.496 -2.127 7.508 284 1HE LYS 37 HE2 LYS 37 -2.504 -1.636 9.608 285 2HE LYS 37 HE1 LYS 37 -2.016 -3.313 9.858 286 1HZ LYS 37 HZ1 LYS 37 -0.907 -2.453 7.449 287 2HZ LYS 37 HZ3 LYS 37 -0.590 -1.248 8.599 288 3HZ LYS 37 HZ2 LYS 37 -0.098 -2.848 8.891 289 H ILE 38 HN ILE 38 -7.473 -2.799 6.593 290 HA ILE 38 HA ILE 38 -9.656 -4.500 5.552 291 HB ILE 38 HB ILE 38 -8.862 -1.688 4.739 292 1HG1 ILE 38 HG12 ILE 38 -11.016 -2.558 6.689 293 2HG1 ILE 38 HG11 ILE 38 -9.435 -1.953 7.184 294 1HG2 ILE 38 HG23 ILE 38 -10.295 -2.966 3.142 295 2HG2 ILE 38 HG22 ILE 38 -11.470 -3.208 4.435 296 3HG2 ILE 38 HG21 ILE 38 -11.133 -1.581 3.845 297 1HD1 ILE 38 HD11 ILE 38 -9.999 0.070 5.628 298 2HD1 ILE 38 HD13 ILE 38 -11.665 -0.488 5.792 299 3HD1 ILE 38 HD12 ILE 38 -10.750 -0.012 7.222 300 H MET 39 HN MET 39 -9.093 -5.938 3.994 301 HA MET 39 HA MET 39 -6.746 -5.501 2.293 302 1HB MET 39 HB2 MET 39 -7.825 -7.757 3.238 303 2HB MET 39 HB1 MET 39 -8.719 -7.671 1.720 304 1HG MET 39 HG2 MET 39 -5.756 -7.231 1.673 305 2HG MET 39 HG1 MET 39 -6.369 -8.878 1.812 306 1HE MET 39 HE2 MET 39 -7.874 -9.954 0.514 307 2HE MET 39 HE1 MET 39 -9.124 -8.887 -0.121 308 3HE MET 39 HE3 MET 39 -8.081 -9.792 -1.228 309 H VAL 40 HN VAL 40 -7.038 -3.934 0.753 310 HA VAL 40 HA VAL 40 -9.541 -4.050 -0.883 311 HB VAL 40 HB VAL 40 -7.635 -1.714 -0.552 312 1HG1 VAL 40 HG12 VAL 40 -10.419 -1.940 -1.739 313 2HG1 VAL 40 HG11 VAL 40 -9.499 -0.444 -1.569 314 3HG1 VAL 40 HG13 VAL 40 -8.926 -1.714 -2.650 315 1HG2 VAL 40 HG21 VAL 40 -10.223 -2.430 0.845 316 2HG2 VAL 40 HG23 VAL 40 -8.666 -2.047 1.581 317 3HG2 VAL 40 HG22 VAL 40 -9.603 -0.779 0.791 318 H VAL 41 HN VAL 41 -9.263 -4.785 -2.925 319 HA VAL 41 HA VAL 41 -6.655 -4.301 -4.284 320 HB VAL 41 HB VAL 41 -6.772 -6.635 -5.204 321 1HG1 VAL 41 HG12 VAL 41 -6.488 -6.119 -2.248 322 2HG1 VAL 41 HG11 VAL 41 -6.214 -7.727 -2.917 323 3HG1 VAL 41 HG13 VAL 41 -5.221 -6.371 -3.448 324 1HG2 VAL 41 HG21 VAL 41 -9.310 -6.729 -4.535 325 2HG2 VAL 41 HG23 VAL 41 -8.337 -8.196 -4.424 326 3HG2 VAL 41 HG22 VAL 41 -8.691 -7.260 -2.972 327 H GLY 42 HN GLY 42 -7.066 -5.292 -6.712 328 1HA GLY 42 HA2 GLY 42 -9.451 -3.802 -7.674 329 2HA GLY 42 HA1 GLY 42 -8.069 -4.271 -8.664 330 H ARG 43 HN ARG 43 -9.845 -5.095 -10.116 331 HA ARG 43 HA ARG 43 -11.282 -7.495 -9.227 332 1HB ARG 43 HB2 ARG 43 -11.075 -6.039 -11.872 333 2HB ARG 43 HB1 ARG 43 -11.967 -7.550 -11.691 334 1HG ARG 43 HG2 ARG 43 -13.195 -6.402 -9.746 335 2HG ARG 43 HG1 ARG 43 -12.511 -4.895 -10.358 336 1HD ARG 43 HD2 ARG 43 -14.050 -6.799 -12.131 337 2HD ARG 43 HD1 ARG 43 -14.842 -5.508 -11.225 338 HE ARG 43 HE ARG 43 -12.935 -4.094 -12.512 339 1HH1 ARG 43 HH11 ARG 43 -15.031 -6.628 -13.633 340 2HH1 ARG 43 HH12 ARG 43 -15.073 -6.036 -15.260 341 1HH2 ARG 43 HH21 ARG 43 -12.997 -3.336 -14.626 342 2HH2 ARG 43 HH22 ARG 43 -13.927 -4.181 -15.819 343 H ARG 44 HN ARG 44 -8.567 -6.720 -11.390 344 HA ARG 44 HA ARG 44 -8.137 -9.447 -12.247 345 1HB ARG 44 HB2 ARG 44 -7.292 -7.293 -13.369 346 2HB ARG 44 HB1 ARG 44 -6.022 -7.291 -12.145 347 1HG ARG 44 HG2 ARG 44 -5.216 -9.444 -12.871 348 2HG ARG 44 HG1 ARG 44 -6.599 -9.657 -13.945 349 1HD ARG 44 HD2 ARG 44 -5.838 -7.580 -15.178 350 2HD ARG 44 HD1 ARG 44 -4.362 -7.633 -14.214 351 HE ARG 44 HE ARG 44 -4.876 -10.173 -15.513 352 1HH1 ARG 44 HH11 ARG 44 -3.646 -6.957 -15.973 353 2HH1 ARG 44 HH12 ARG 44 -2.601 -7.415 -17.276 354 1HH2 ARG 44 HH21 ARG 44 -3.517 -10.755 -17.204 355 2HH2 ARG 44 HH22 ARG 44 -2.529 -9.556 -17.970 356 H THR 45 HN THR 45 -6.977 -7.490 -9.554 357 HA THR 45 HA THR 45 -4.963 -9.418 -8.709 358 HB THR 45 HB THR 45 -6.247 -7.248 -7.030 359 HG1 THR 45 HG1 THR 45 -4.809 -5.859 -7.915 360 1HG2 THR 45 HG21 THR 45 -3.659 -8.796 -6.942 361 2HG2 THR 45 HG23 THR 45 -3.851 -7.262 -6.093 362 3HG2 THR 45 HG22 THR 45 -4.880 -8.633 -5.680 363 H TYR 46 HN TYR 46 -8.365 -8.856 -8.064 364 HA TYR 46 HA TYR 46 -8.569 -10.467 -5.689 365 1HB TYR 46 HB2 TYR 46 -10.294 -8.810 -6.564 366 2HB TYR 46 HB1 TYR 46 -10.747 -10.037 -7.748 367 HD1 TYR 46 HD1 TYR 46 -10.022 -9.845 -4.064 368 HD2 TYR 46 HD2 TYR 46 -12.532 -11.409 -7.178 369 HE1 TYR 46 HE1 TYR 46 -11.433 -10.969 -2.363 370 HE2 TYR 46 HE2 TYR 46 -13.943 -12.533 -5.476 371 HH TYR 46 HH TYR 46 -12.981 -12.868 -2.225 372 H GLU 47 HN GLU 47 -8.745 -11.193 -9.145 373 HA GLU 47 HA GLU 47 -9.490 -13.993 -8.673 374 1HB GLU 47 HB2 GLU 47 -8.785 -12.375 -11.124 375 2HB GLU 47 HB1 GLU 47 -8.977 -14.128 -11.201 376 1HG GLU 47 HG2 GLU 47 -11.253 -14.010 -10.492 377 2HG GLU 47 HG1 GLU 47 -11.087 -12.321 -10.007 378 H SER 48 HN SER 48 -6.578 -12.121 -9.079 379 HA SER 48 HA SER 48 -4.797 -14.204 -9.893 380 1HB SER 48 HB2 SER 48 -3.023 -12.739 -9.165 381 2HB SER 48 HB1 SER 48 -4.288 -11.727 -9.855 382 HG SER 48 HG SER 48 -4.748 -10.965 -7.921 383 H PHE 49 HN PHE 49 -6.315 -13.500 -6.851 384 HA PHE 49 HA PHE 49 -4.472 -14.783 -5.081 385 1HB PHE 49 HB2 PHE 49 -7.467 -14.362 -4.948 386 2HB PHE 49 HB1 PHE 49 -6.553 -15.107 -3.636 387 HD1 PHE 49 HD2 PHE 49 -4.162 -13.706 -3.278 388 HD2 PHE 49 HD1 PHE 49 -7.939 -12.117 -4.566 389 HE1 PHE 49 HE2 PHE 49 -3.496 -11.461 -2.462 390 HE2 PHE 49 HE1 PHE 49 -7.273 -9.872 -3.751 391 HZ PHE 49 HZ PHE 49 -5.051 -9.544 -2.699 392 HA PRO 50 HA PRO 50 -5.195 -19.107 -5.849 393 1HB PRO 50 HB2 PRO 50 -4.871 -20.072 -3.250 394 2HB PRO 50 HB1 PRO 50 -3.564 -19.721 -4.388 395 1HG PRO 50 HG2 PRO 50 -4.228 -18.342 -1.959 396 2HG PRO 50 HG1 PRO 50 -2.881 -18.041 -3.064 397 1HD PRO 50 HD2 PRO 50 -5.385 -16.567 -2.780 398 2HD PRO 50 HD1 PRO 50 -3.912 -16.112 -3.654 399 H LYS 51 HN LYS 51 -6.505 -18.769 -2.544 400 HA LYS 51 HA LYS 51 -9.082 -19.896 -3.565 401 1HB LYS 51 HB2 LYS 51 -7.838 -20.115 -0.805 402 2HB LYS 51 HB1 LYS 51 -9.400 -20.788 -1.272 403 1HG LYS 51 HG2 LYS 51 -8.371 -22.275 -2.862 404 2HG LYS 51 HG1 LYS 51 -6.806 -21.485 -2.670 405 1HD LYS 51 HD2 LYS 51 -6.508 -22.345 -0.485 406 2HD LYS 51 HD1 LYS 51 -8.216 -22.760 -0.326 407 1HE LYS 51 HE2 LYS 51 -7.127 -24.829 -0.747 408 2HE LYS 51 HE1 LYS 51 -7.837 -24.369 -2.295 409 1HZ LYS 51 HZ3 LYS 51 -5.502 -23.182 -2.522 410 2HZ LYS 51 HZ2 LYS 51 -5.038 -24.437 -1.476 411 3HZ LYS 51 HZ1 LYS 51 -5.739 -24.797 -2.980 412 H ARG 52 HN ARG 52 -10.368 -18.108 -3.849 413 HA ARG 52 HA ARG 52 -10.337 -15.952 -1.813 414 1HB ARG 52 HB2 ARG 52 -11.811 -16.195 -4.456 415 2HB ARG 52 HB1 ARG 52 -11.836 -14.775 -3.410 416 1HG ARG 52 HG2 ARG 52 -10.088 -14.135 -4.748 417 2HG ARG 52 HG1 ARG 52 -9.166 -15.122 -3.614 418 1HD ARG 52 HD2 ARG 52 -8.568 -15.792 -5.869 419 2HD ARG 52 HD1 ARG 52 -9.511 -17.088 -5.135 420 HE ARG 52 HE ARG 52 -11.315 -15.374 -6.507 421 1HH1 ARG 52 HH11 ARG 52 -8.702 -17.572 -7.152 422 2HH1 ARG 52 HH12 ARG 52 -9.299 -18.008 -8.718 423 1HH2 ARG 52 HH21 ARG 52 -12.079 -15.949 -8.541 424 2HH2 ARG 52 HH22 ARG 52 -11.200 -17.093 -9.500 425 HA PRO 53 HA PRO 53 -11.860 -14.237 -1.482 426 1HB PRO 53 HB2 PRO 53 -13.155 -13.490 0.884 427 2HB PRO 53 HB1 PRO 53 -13.758 -13.218 -0.756 428 1HG PRO 53 HG2 PRO 53 -14.813 -14.969 1.245 429 2HG PRO 53 HG1 PRO 53 -15.421 -14.682 -0.391 430 1HD PRO 53 HD2 PRO 53 -13.868 -16.946 0.628 431 2HD PRO 53 HD1 PRO 53 -14.785 -16.803 -0.881 432 H LEU 54 HN LEU 54 -10.637 -12.983 0.283 433 HA LEU 54 HA LEU 54 -8.938 -14.886 1.765 434 1HB LEU 54 HB2 LEU 54 -8.753 -11.932 1.164 435 2HB LEU 54 HB1 LEU 54 -7.651 -12.726 2.289 436 HG LEU 54 HG LEU 54 -8.096 -13.618 -0.574 437 1HD1 LEU 54 HD13 LEU 54 -6.276 -11.616 0.656 438 2HD1 LEU 54 HD12 LEU 54 -5.534 -12.735 -0.489 439 3HD1 LEU 54 HD11 LEU 54 -6.885 -11.720 -0.996 440 1HD2 LEU 54 HD22 LEU 54 -6.259 -14.469 1.671 441 2HD2 LEU 54 HD21 LEU 54 -7.333 -15.472 0.696 442 3HD2 LEU 54 HD23 LEU 54 -5.865 -14.802 -0.016 443 HA PRO 55 HA PRO 55 -11.449 -13.865 5.426 444 1HB PRO 55 HB2 PRO 55 -10.354 -15.977 6.917 445 2HB PRO 55 HB1 PRO 55 -11.853 -16.027 5.979 446 1HG PRO 55 HG2 PRO 55 -9.399 -17.396 5.457 447 2HG PRO 55 HG1 PRO 55 -10.901 -17.447 4.525 448 1HD PRO 55 HD2 PRO 55 -8.426 -16.008 3.945 449 2HD PRO 55 HD1 PRO 55 -9.805 -16.335 2.885 450 H GLU 56 HN GLU 56 -10.675 -13.881 7.921 451 HA GLU 56 HA GLU 56 -9.295 -12.868 9.518 452 1HB GLU 56 HB2 GLU 56 -7.040 -13.571 7.616 453 2HB GLU 56 HB1 GLU 56 -6.905 -13.242 9.343 454 1HG GLU 56 HG2 GLU 56 -8.673 -15.208 9.523 455 2HG GLU 56 HG1 GLU 56 -8.001 -15.659 7.955 456 H ARG 57 HN ARG 57 -10.334 -11.380 7.086 457 HA ARG 57 HA ARG 57 -9.193 -8.829 7.684 458 1HB ARG 57 HB2 ARG 57 -8.027 -8.407 5.521 459 2HB ARG 57 HB1 ARG 57 -7.229 -9.652 6.483 460 1HG ARG 57 HG2 ARG 57 -8.807 -11.274 5.112 461 2HG ARG 57 HG1 ARG 57 -8.822 -9.938 3.961 462 1HD ARG 57 HD2 ARG 57 -6.956 -11.107 3.222 463 2HD ARG 57 HD1 ARG 57 -6.206 -9.986 4.359 464 HE ARG 57 HE ARG 57 -6.744 -12.120 5.970 465 1HH1 ARG 57 HH11 ARG 57 -5.293 -11.856 2.825 466 2HH1 ARG 57 HH12 ARG 57 -4.286 -13.248 3.043 467 1HH2 ARG 57 HH21 ARG 57 -5.431 -13.923 6.242 468 2HH2 ARG 57 HH22 ARG 57 -4.364 -14.412 4.967 469 H THR 58 HN THR 58 -9.897 -7.189 5.870 470 HA THR 58 HA THR 58 -12.701 -7.860 5.202 471 HB THR 58 HB THR 58 -11.320 -5.216 4.720 472 HG1 THR 58 HG1 THR 58 -12.752 -5.295 6.981 473 1HG2 THR 58 HG21 THR 58 -13.706 -5.902 3.881 474 2HG2 THR 58 HG23 THR 58 -14.166 -5.667 5.567 475 3HG2 THR 58 HG22 THR 58 -13.479 -4.329 4.645 476 H ASN 59 HN ASN 59 -13.358 -8.303 3.148 477 HA ASN 59 HA ASN 59 -11.318 -8.177 0.988 478 1HB ASN 59 HB2 ASN 59 -14.006 -9.580 1.100 479 2HB ASN 59 HB1 ASN 59 -12.860 -9.679 -0.238 480 1HD2 ASN 59 HD22 ASN 59 -10.423 -11.355 2.070 481 2HD2 ASN 59 HD21 ASN 59 -10.419 -9.898 1.200 482 H VAL 60 HN VAL 60 -11.383 -6.170 0.049 483 HA VAL 60 HA VAL 60 -14.071 -5.115 -0.741 484 HB VAL 60 HB VAL 60 -11.532 -3.524 -0.272 485 1HG1 VAL 60 HG13 VAL 60 -13.140 -2.512 -1.851 486 2HG1 VAL 60 HG12 VAL 60 -14.425 -2.691 -0.656 487 3HG1 VAL 60 HG11 VAL 60 -13.075 -1.599 -0.343 488 1HG2 VAL 60 HG21 VAL 60 -12.444 -4.578 1.809 489 2HG2 VAL 60 HG23 VAL 60 -12.555 -2.818 1.830 490 3HG2 VAL 60 HG22 VAL 60 -13.989 -3.788 1.492 491 H VAL 61 HN VAL 61 -14.313 -4.417 -2.882 492 HA VAL 61 HA VAL 61 -11.955 -4.738 -4.685 493 HB VAL 61 HB VAL 61 -14.745 -5.761 -5.292 494 1HG1 VAL 61 HG11 VAL 61 -13.373 -5.033 -7.242 495 2HG1 VAL 61 HG13 VAL 61 -12.102 -6.142 -6.732 496 3HG1 VAL 61 HG12 VAL 61 -13.668 -6.771 -7.243 497 1HG2 VAL 61 HG23 VAL 61 -12.221 -7.216 -4.445 498 2HG2 VAL 61 HG22 VAL 61 -13.746 -7.152 -3.564 499 3HG2 VAL 61 HG21 VAL 61 -13.651 -8.016 -5.098 500 H LEU 62 HN LEU 62 -11.695 -2.921 -5.876 501 HA LEU 62 HA LEU 62 -13.966 -1.014 -6.080 502 1HB LEU 62 HB2 LEU 62 -11.683 -0.272 -5.256 503 2HB LEU 62 HB1 LEU 62 -11.080 -0.572 -6.887 504 HG LEU 62 HG LEU 62 -12.958 0.962 -7.705 505 1HD1 LEU 62 HD13 LEU 62 -13.123 1.338 -4.723 506 2HD1 LEU 62 HD12 LEU 62 -13.547 2.659 -5.811 507 3HD1 LEU 62 HD11 LEU 62 -14.433 1.136 -5.886 508 1HD2 LEU 62 HD21 LEU 62 -10.756 2.063 -5.931 509 2HD2 LEU 62 HD23 LEU 62 -10.631 1.704 -7.654 510 3HD2 LEU 62 HD22 LEU 62 -11.668 3.018 -7.100 511 H THR 63 HN THR 63 -15.165 -1.133 -7.903 512 HA THR 63 HA THR 63 -13.845 -1.317 -10.523 513 HB THR 63 HB THR 63 -14.095 -3.683 -10.010 514 HG1 THR 63 HG1 THR 63 -15.809 -2.480 -11.854 515 1HG2 THR 63 HG21 THR 63 -15.852 -3.359 -8.259 516 2HG2 THR 63 HG23 THR 63 -17.028 -3.083 -9.544 517 3HG2 THR 63 HG22 THR 63 -16.236 -4.652 -9.394 518 H HIS 64 HN HIS 64 -15.044 -0.240 -12.064 519 HA HIS 64 HA HIS 64 -17.565 1.016 -11.140 520 1HB HIS 64 HB2 HIS 64 -15.842 1.503 -13.591 521 2HB HIS 64 HB1 HIS 64 -17.300 2.413 -13.194 522 HD1 HIS 64 HD1 HIS 64 -13.839 1.681 -11.818 523 HD2 HIS 64 HD2 HIS 64 -16.928 4.434 -11.301 524 HE1 HIS 64 HE1 HIS 64 -12.943 3.484 -10.280 525 H GLN 65 HN GLN 65 -17.417 -1.853 -11.917 526 HA GLN 65 HA GLN 65 -19.185 -1.814 -14.328 527 1HB GLN 65 HB2 GLN 65 -16.978 -3.233 -14.186 528 2HB GLN 65 HB1 GLN 65 -17.960 -4.318 -13.200 529 1HG GLN 65 HG2 GLN 65 -19.669 -4.333 -15.050 530 2HG GLN 65 HG1 GLN 65 -18.526 -3.427 -16.040 531 1HE2 GLN 65 HE22 GLN 65 -17.305 -7.205 -14.943 532 2HE2 GLN 65 HE21 GLN 65 -18.089 -6.227 -13.798 533 H GLU 66 HN GLU 66 -21.309 -2.160 -13.940 534 HA GLU 66 HA GLU 66 -22.180 -3.044 -11.269 535 1HB GLU 66 HB2 GLU 66 -23.249 -1.182 -12.760 536 2HB GLU 66 HB1 GLU 66 -24.028 -2.531 -13.589 537 1HG GLU 66 HG2 GLU 66 -25.034 -3.297 -11.517 538 2HG GLU 66 HG1 GLU 66 -24.147 -2.082 -10.594 539 H ASP 67 HN ASP 67 -20.798 -4.946 -13.080 540 HA ASP 67 HA ASP 67 -22.984 -6.978 -13.305 541 1HB ASP 67 HB2 ASP 67 -21.907 -6.068 -15.495 542 2HB ASP 67 HB1 ASP 67 -20.509 -7.034 -15.022 543 H TYR 68 HN TYR 68 -19.620 -6.296 -12.497 544 HA TYR 68 HA TYR 68 -18.897 -9.005 -11.816 545 1HB TYR 68 HB2 TYR 68 -17.338 -6.996 -12.254 546 2HB TYR 68 HB1 TYR 68 -17.677 -6.530 -10.587 547 HD1 TYR 68 HD1 TYR 68 -16.233 -9.172 -12.749 548 HD2 TYR 68 HD2 TYR 68 -16.777 -7.766 -8.727 549 HE1 TYR 68 HE1 TYR 68 -14.563 -10.821 -11.947 550 HE2 TYR 68 HE2 TYR 68 -15.107 -9.415 -7.925 551 HH TYR 68 HH TYR 68 -13.928 -11.958 -9.927 552 H GLN 69 HN GLN 69 -18.850 -9.992 -9.756 553 HA GLN 69 HA GLN 69 -20.064 -8.534 -7.477 554 1HB GLN 69 HB2 GLN 69 -21.183 -11.069 -8.700 555 2HB GLN 69 HB1 GLN 69 -21.583 -10.532 -7.069 556 1HG GLN 69 HG2 GLN 69 -22.405 -8.385 -7.986 557 2HG GLN 69 HG1 GLN 69 -22.033 -8.946 -9.616 558 1HE2 GLN 69 HE22 GLN 69 -25.157 -10.525 -9.893 559 2HE2 GLN 69 HE21 GLN 69 -23.878 -9.703 -10.649 560 H ALA 70 HN ALA 70 -19.671 -9.638 -5.427 561 HA ALA 70 HA ALA 70 -17.687 -11.856 -5.547 562 1HB ALA 70 HB1 ALA 70 -17.375 -9.324 -3.905 563 2HB ALA 70 HB3 ALA 70 -16.299 -10.720 -3.847 564 3HB ALA 70 HB2 ALA 70 -16.413 -9.754 -5.319 565 H GLN 71 HN GLN 71 -18.123 -13.414 -4.045 566 HA GLN 71 HA GLN 71 -20.400 -12.986 -2.222 567 1HB GLN 71 HB2 GLN 71 -18.717 -15.428 -2.853 568 2HB GLN 71 HB1 GLN 71 -20.079 -15.431 -1.733 569 1HG GLN 71 HG2 GLN 71 -20.371 -14.440 -4.570 570 2HG GLN 71 HG1 GLN 71 -20.561 -16.146 -4.163 571 1HE2 GLN 71 HE22 GLN 71 -23.411 -15.287 -1.920 572 2HE2 GLN 71 HE21 GLN 71 -21.911 -16.057 -1.730 573 H GLY 72 HN GLY 72 -20.053 -12.244 -0.196 574 1HA GLY 72 HA2 GLY 72 -19.095 -12.107 1.959 575 2HA GLY 72 HA1 GLY 72 -17.918 -13.327 1.470 576 H ALA 73 HN ALA 73 -18.617 -10.185 -0.048 577 HA ALA 73 HA ALA 73 -16.128 -9.009 0.955 578 1HB ALA 73 HB3 ALA 73 -16.422 -9.963 -1.893 579 2HB ALA 73 HB2 ALA 73 -15.358 -8.615 -1.490 580 3HB ALA 73 HB1 ALA 73 -15.070 -10.206 -0.787 581 H VAL 74 HN VAL 74 -16.367 -6.813 1.022 582 HA VAL 74 HA VAL 74 -18.872 -5.630 0.144 583 HB VAL 74 HB VAL 74 -16.369 -4.234 1.136 584 1HG1 VAL 74 HG11 VAL 74 -19.294 -3.448 1.001 585 2HG1 VAL 74 HG13 VAL 74 -18.073 -2.541 1.893 586 3HG1 VAL 74 HG12 VAL 74 -17.953 -2.694 0.141 587 1HG2 VAL 74 HG23 VAL 74 -17.126 -5.988 2.712 588 2HG2 VAL 74 HG22 VAL 74 -17.419 -4.375 3.365 589 3HG2 VAL 74 HG21 VAL 74 -18.753 -5.306 2.682 590 H VAL 75 HN VAL 75 -19.106 -5.480 -2.062 591 HA VAL 75 HA VAL 75 -16.853 -4.733 -3.785 592 HB VAL 75 HB VAL 75 -19.792 -4.993 -4.489 593 1HG1 VAL 75 HG12 VAL 75 -18.130 -3.798 -6.058 594 2HG1 VAL 75 HG11 VAL 75 -17.387 -5.382 -6.274 595 3HG1 VAL 75 HG13 VAL 75 -19.068 -5.125 -6.743 596 1HG2 VAL 75 HG22 VAL 75 -17.555 -7.045 -4.532 597 2HG2 VAL 75 HG21 VAL 75 -18.976 -7.075 -3.486 598 3HG2 VAL 75 HG23 VAL 75 -19.158 -7.288 -5.228 599 H VAL 76 HN VAL 76 -16.234 -2.616 -3.502 600 HA VAL 76 HA VAL 76 -18.281 -0.504 -3.221 601 HB VAL 76 HB VAL 76 -16.286 0.995 -2.979 602 1HG1 VAL 76 HG11 VAL 76 -17.382 -0.281 -1.064 603 2HG1 VAL 76 HG13 VAL 76 -16.071 -1.452 -1.209 604 3HG1 VAL 76 HG12 VAL 76 -15.715 0.222 -0.784 605 1HG2 VAL 76 HG23 VAL 76 -14.827 -1.640 -3.351 606 2HG2 VAL 76 HG22 VAL 76 -14.689 -0.200 -4.361 607 3HG2 VAL 76 HG21 VAL 76 -14.071 -0.181 -2.710 608 H HIS 77 HN HIS 77 -18.364 1.312 -4.703 609 HA HIS 77 HA HIS 77 -17.105 0.833 -7.365 610 1HB HIS 77 HB2 HIS 77 -20.025 1.474 -6.847 611 2HB HIS 77 HB1 HIS 77 -19.264 1.500 -8.438 612 HD1 HIS 77 HD1 HIS 77 -19.202 -0.678 -9.668 613 HD2 HIS 77 HD2 HIS 77 -19.822 -1.230 -5.583 614 HE1 HIS 77 HE1 HIS 77 -19.610 -3.156 -9.334 615 H ASP 78 HN ASP 78 -16.553 2.708 -5.121 616 HA ASP 78 HA ASP 78 -16.315 5.136 -6.705 617 1HB ASP 78 HB2 ASP 78 -18.721 5.129 -5.764 618 2HB ASP 78 HB1 ASP 78 -17.968 5.394 -4.192 619 H VAL 79 HN VAL 79 -14.831 6.606 -5.740 620 HA VAL 79 HA VAL 79 -12.944 5.433 -3.905 621 HB VAL 79 HB VAL 79 -13.236 8.355 -4.665 622 1HG1 VAL 79 HG13 VAL 79 -11.696 7.542 -2.724 623 2HG1 VAL 79 HG12 VAL 79 -10.693 6.877 -4.013 624 3HG1 VAL 79 HG11 VAL 79 -11.011 8.611 -3.948 625 1HG2 VAL 79 HG22 VAL 79 -11.862 6.034 -6.047 626 2HG2 VAL 79 HG21 VAL 79 -13.100 7.101 -6.711 627 3HG2 VAL 79 HG23 VAL 79 -11.478 7.720 -6.396 628 H ALA 80 HN ALA 80 -15.651 7.663 -3.535 629 HA ALA 80 HA ALA 80 -15.046 8.442 -0.820 630 1HB ALA 80 HB1 ALA 80 -16.578 9.732 -2.287 631 2HB ALA 80 HB3 ALA 80 -17.721 8.388 -2.254 632 3HB ALA 80 HB2 ALA 80 -17.357 9.275 -0.773 633 H ALA 81 HN ALA 81 -16.807 5.765 -2.283 634 HA ALA 81 HA ALA 81 -18.086 4.832 0.121 635 1HB ALA 81 HB1 ALA 81 -18.470 4.175 -2.402 636 2HB ALA 81 HB3 ALA 81 -17.235 2.961 -2.069 637 3HB ALA 81 HB2 ALA 81 -18.732 2.974 -1.136 638 H VAL 82 HN VAL 82 -14.916 4.270 -1.330 639 HA VAL 82 HA VAL 82 -14.144 2.094 0.389 640 HB VAL 82 HB VAL 82 -12.346 4.133 -0.957 641 1HG1 VAL 82 HG11 VAL 82 -11.281 2.663 0.748 642 2HG1 VAL 82 HG13 VAL 82 -11.868 1.253 -0.132 643 3HG1 VAL 82 HG12 VAL 82 -10.690 2.331 -0.881 644 1HG2 VAL 82 HG23 VAL 82 -13.881 1.774 -1.982 645 2HG2 VAL 82 HG22 VAL 82 -13.518 3.304 -2.780 646 3HG2 VAL 82 HG21 VAL 82 -12.268 2.068 -2.635 647 H PHE 83 HN PHE 83 -13.692 5.622 0.583 648 HA PHE 83 HA PHE 83 -12.226 5.486 3.093 649 1HB PHE 83 HB2 PHE 83 -13.556 7.749 1.585 650 2HB PHE 83 HB1 PHE 83 -12.722 7.987 3.121 651 HD1 PHE 83 HD2 PHE 83 -10.341 6.591 3.158 652 HD2 PHE 83 HD1 PHE 83 -12.284 8.257 -0.291 653 HE1 PHE 83 HE2 PHE 83 -8.167 6.665 1.969 654 HE2 PHE 83 HE1 PHE 83 -10.109 8.331 -1.480 655 HZ PHE 83 HZ PHE 83 -8.051 7.535 -0.351 656 H ALA 84 HN ALA 84 -15.592 5.760 2.150 657 HA ALA 84 HA ALA 84 -16.637 6.671 4.663 658 1HB ALA 84 HB3 ALA 84 -17.822 5.146 2.343 659 2HB ALA 84 HB2 ALA 84 -18.769 5.494 3.790 660 3HB ALA 84 HB1 ALA 84 -18.118 6.817 2.822 661 H TYR 85 HN TYR 85 -15.993 3.433 3.353 662 HA TYR 85 HA TYR 85 -17.142 1.976 5.549 663 1HB TYR 85 HB2 TYR 85 -16.502 1.057 3.254 664 2HB TYR 85 HB1 TYR 85 -14.833 1.051 3.823 665 HD1 TYR 85 HD2 TYR 85 -18.198 -0.402 4.301 666 HD2 TYR 85 HD1 TYR 85 -14.078 -0.515 5.513 667 HE1 TYR 85 HE2 TYR 85 -18.598 -2.556 5.462 668 HE2 TYR 85 HE1 TYR 85 -14.479 -2.669 6.673 669 HH TYR 85 HH TYR 85 -15.948 -4.411 6.856 670 H ALA 86 HN ALA 86 -13.836 3.119 4.875 671 HA ALA 86 HA ALA 86 -12.650 1.965 7.228 672 1HB ALA 86 HB3 ALA 86 -11.421 2.841 5.180 673 2HB ALA 86 HB2 ALA 86 -11.720 4.466 5.797 674 3HB ALA 86 HB1 ALA 86 -10.742 3.334 6.731 675 H LYS 87 HN LYS 87 -14.529 4.843 6.658 676 HA LYS 87 HA LYS 87 -13.726 6.365 8.948 677 1HB LYS 87 HB2 LYS 87 -15.301 6.939 6.877 678 2HB LYS 87 HB1 LYS 87 -16.564 6.443 8.004 679 1HG LYS 87 HG2 LYS 87 -16.417 8.671 8.584 680 2HG LYS 87 HG1 LYS 87 -15.181 8.020 9.661 681 1HD LYS 87 HD2 LYS 87 -14.371 8.796 6.887 682 2HD LYS 87 HD1 LYS 87 -14.649 10.078 8.066 683 1HE LYS 87 HE2 LYS 87 -13.143 8.633 9.633 684 2HE LYS 87 HE1 LYS 87 -12.614 7.861 8.139 685 1HZ LYS 87 HZ2 LYS 87 -12.680 10.785 8.232 686 2HZ LYS 87 HZ1 LYS 87 -11.429 9.992 9.064 687 3HZ LYS 87 HZ3 LYS 87 -11.622 9.752 7.397 688 H GLN 88 HN GLN 88 -16.239 3.891 8.487 689 HA GLN 88 HA GLN 88 -17.305 4.096 11.163 690 1HB GLN 88 HB2 GLN 88 -18.331 2.978 9.032 691 2HB GLN 88 HB1 GLN 88 -17.401 1.566 9.533 692 1HG GLN 88 HG2 GLN 88 -18.470 1.965 11.869 693 2HG GLN 88 HG1 GLN 88 -19.637 2.959 10.994 694 1HE2 GLN 88 HE22 GLN 88 -19.807 -1.094 10.687 695 2HE2 GLN 88 HE21 GLN 88 -18.584 -0.339 11.589 696 H HIS 89 HN HIS 89 -14.658 2.303 9.701 697 HA HIS 89 HA HIS 89 -14.049 1.137 12.390 698 1HB HIS 89 HB2 HIS 89 -13.694 0.030 9.608 699 2HB HIS 89 HB1 HIS 89 -12.705 -0.558 10.945 700 HD1 HIS 89 HD1 HIS 89 -13.701 -2.678 11.785 701 HD2 HIS 89 HD2 HIS 89 -16.644 0.105 10.803 702 HE1 HIS 89 HE1 HIS 89 -15.919 -3.737 12.394 703 HA PRO 90 HA PRO 90 -10.551 3.990 11.473 704 1HB PRO 90 HB2 PRO 90 -10.393 4.828 14.139 705 2HB PRO 90 HB1 PRO 90 -11.230 5.677 12.833 706 1HG PRO 90 HG2 PRO 90 -12.372 4.371 15.109 707 2HG PRO 90 HG1 PRO 90 -13.203 5.241 13.813 708 1HD PRO 90 HD2 PRO 90 -12.936 2.358 14.215 709 2HD PRO 90 HD1 PRO 90 -14.028 3.242 13.136 710 H ASP 91 HN ASP 91 -11.068 1.467 13.818 711 HA ASP 91 HA ASP 91 -8.402 1.326 14.888 712 1HB ASP 91 HB2 ASP 91 -10.665 -0.661 14.663 713 2HB ASP 91 HB1 ASP 91 -9.108 -1.111 15.360 714 H GLN 92 HN GLN 92 -9.855 0.230 11.913 715 HA GLN 92 HA GLN 92 -7.524 -1.480 11.264 716 1HB GLN 92 HB2 GLN 92 -10.144 -0.905 9.863 717 2HB GLN 92 HB1 GLN 92 -8.851 -1.836 9.106 718 1HG GLN 92 HG2 GLN 92 -8.942 -3.516 10.818 719 2HG GLN 92 HG1 GLN 92 -10.004 -2.525 11.819 720 1HE2 GLN 92 HE22 GLN 92 -11.816 -5.086 9.507 721 2HE2 GLN 92 HE21 GLN 92 -10.312 -5.264 10.272 722 H GLU 93 HN GLU 93 -6.890 -1.130 8.759 723 HA GLU 93 HA GLU 93 -6.606 1.785 8.214 724 1HB GLU 93 HB2 GLU 93 -4.359 -0.243 8.366 725 2HB GLU 93 HB1 GLU 93 -4.189 1.343 7.609 726 1HG GLU 93 HG2 GLU 93 -5.211 1.047 10.435 727 2HG GLU 93 HG1 GLU 93 -3.484 1.140 10.083 728 H LEU 94 HN LEU 94 -6.370 2.272 5.984 729 HA LEU 94 HA LEU 94 -7.441 0.241 4.175 730 1HB LEU 94 HB2 LEU 94 -7.917 2.778 4.125 731 2HB LEU 94 HB1 LEU 94 -6.336 2.929 3.355 732 HG LEU 94 HG LEU 94 -7.157 1.133 1.705 733 1HD1 LEU 94 HD11 LEU 94 -9.667 1.805 3.217 734 2HD1 LEU 94 HD13 LEU 94 -9.764 1.371 1.511 735 3HD1 LEU 94 HD12 LEU 94 -9.086 0.232 2.673 736 1HD2 LEU 94 HD22 LEU 94 -8.131 3.970 1.895 737 2HD2 LEU 94 HD21 LEU 94 -6.968 3.265 0.772 738 3HD2 LEU 94 HD23 LEU 94 -8.692 2.954 0.566 739 H VAL 95 HN VAL 95 -6.039 -1.338 3.538 740 HA VAL 95 HA VAL 95 -3.250 -0.541 2.820 741 HB VAL 95 HB VAL 95 -4.336 -3.321 3.360 742 1HG1 VAL 95 HG12 VAL 95 -1.528 -2.203 3.091 743 2HG1 VAL 95 HG11 VAL 95 -1.906 -3.851 3.592 744 3HG1 VAL 95 HG13 VAL 95 -2.328 -3.305 1.969 745 1HG2 VAL 95 HG21 VAL 95 -2.946 -1.310 5.148 746 2HG2 VAL 95 HG23 VAL 95 -4.497 -2.105 5.421 747 3HG2 VAL 95 HG22 VAL 95 -3.000 -3.035 5.517 748 H ILE 96 HN ILE 96 -3.060 -0.197 0.663 749 HA ILE 96 HA ILE 96 -4.830 -1.641 -1.221 750 HB ILE 96 HB ILE 96 -2.719 0.452 -1.814 751 1HG1 ILE 96 HG12 ILE 96 -4.408 1.339 -0.244 752 2HG1 ILE 96 HG11 ILE 96 -4.588 2.070 -1.837 753 1HG2 ILE 96 HG22 ILE 96 -3.455 -0.928 -3.734 754 2HG2 ILE 96 HG21 ILE 96 -5.130 -0.498 -3.390 755 3HG2 ILE 96 HG23 ILE 96 -3.988 0.746 -3.897 756 1HD1 ILE 96 HD12 ILE 96 -6.409 0.473 -2.357 757 2HD1 ILE 96 HD11 ILE 96 -6.238 -0.237 -0.752 758 3HD1 ILE 96 HD13 ILE 96 -6.786 1.431 -0.925 759 H ALA 97 HN ALA 97 -4.146 -3.500 -2.150 760 HA ALA 97 HA ALA 97 -1.236 -4.131 -2.099 761 1HB ALA 97 HB3 ALA 97 -3.744 -5.740 -2.078 762 2HB ALA 97 HB2 ALA 97 -2.352 -6.439 -2.906 763 3HB ALA 97 HB1 ALA 97 -2.235 -5.999 -1.202 764 H GLY 98 HN GLY 98 -3.947 -3.597 -4.254 765 1HA GLY 98 HA2 GLY 98 -2.506 -2.849 -6.502 766 2HA GLY 98 HA1 GLY 98 -2.623 -4.604 -6.638 767 H GLY 99 HN GLY 99 -5.619 -3.474 -8.427 768 1HA GLY 99 HA2 GLY 99 -2.816 -4.326 -8.657 769 2HA GLY 99 HA1 GLY 99 -3.926 -4.026 -9.996 770 H ALA 100 HN ALA 100 -2.351 -2.726 -11.090 771 HA ALA 100 HA ALA 100 -1.123 -0.420 -9.842 772 1HB ALA 100 HB2 ALA 100 -1.505 -1.181 -12.752 773 2HB ALA 100 HB1 ALA 100 -0.555 0.204 -12.212 774 3HB ALA 100 HB3 ALA 100 -0.059 -1.431 -11.775 775 H GLN 101 HN GLN 101 -4.155 -1.022 -11.461 776 HA GLN 101 HA GLN 101 -4.767 1.768 -12.008 777 1HB GLN 101 HB2 GLN 101 -5.790 -0.367 -13.091 778 2HB GLN 101 HB1 GLN 101 -6.839 -0.393 -11.673 779 1HG GLN 101 HG2 GLN 101 -7.430 2.014 -12.182 780 2HG GLN 101 HG1 GLN 101 -6.564 1.833 -13.708 781 1HE2 GLN 101 HE22 GLN 101 -10.328 0.477 -13.444 782 2HE2 GLN 101 HE21 GLN 101 -9.617 1.476 -12.270 783 H ILE 102 HN ILE 102 -5.037 -0.336 -9.253 784 HA ILE 102 HA ILE 102 -7.018 1.312 -7.864 785 HB ILE 102 HB ILE 102 -5.173 -0.812 -6.735 786 1HG1 ILE 102 HG12 ILE 102 -6.514 -1.703 -8.609 787 2HG1 ILE 102 HG11 ILE 102 -7.067 -2.365 -7.073 788 1HG2 ILE 102 HG23 ILE 102 -7.708 0.518 -5.756 789 2HG2 ILE 102 HG22 ILE 102 -7.116 -1.002 -5.084 790 3HG2 ILE 102 HG21 ILE 102 -6.135 0.459 -4.958 791 1HD1 ILE 102 HD13 ILE 102 -8.860 -0.614 -7.020 792 2HD1 ILE 102 HD12 ILE 102 -8.350 -0.098 -8.628 793 3HD1 ILE 102 HD11 ILE 102 -9.010 -1.715 -8.389 794 H PHE 103 HN PHE 103 -3.494 0.902 -7.819 795 HA PHE 103 HA PHE 103 -2.958 2.570 -5.560 796 1HB PHE 103 HB2 PHE 103 -1.310 1.892 -8.009 797 2HB PHE 103 HB1 PHE 103 -0.683 2.845 -6.665 798 HD1 PHE 103 HD1 PHE 103 -1.609 1.658 -4.267 799 HD2 PHE 103 HD2 PHE 103 -0.532 -0.301 -7.935 800 HE1 PHE 103 HE1 PHE 103 -1.124 -0.424 -3.012 801 HE2 PHE 103 HE2 PHE 103 -0.048 -2.384 -6.679 802 HZ PHE 103 HZ PHE 103 -0.343 -2.445 -4.219 803 H THR 104 HN THR 104 -3.030 3.324 -9.053 804 HA THR 104 HA THR 104 -2.480 6.118 -8.767 805 HB THR 104 HB THR 104 -2.277 5.017 -10.932 806 HG1 THR 104 HG1 THR 104 -2.796 7.173 -11.067 807 1HG2 THR 104 HG23 THR 104 -5.274 4.617 -10.730 808 2HG2 THR 104 HG22 THR 104 -4.284 4.231 -12.137 809 3HG2 THR 104 HG21 THR 104 -4.056 3.346 -10.628 810 H ALA 105 HN ALA 105 -5.450 4.236 -8.586 811 HA ALA 105 HA ALA 105 -7.273 6.465 -8.671 812 1HB ALA 105 HB3 ALA 105 -7.537 3.674 -7.520 813 2HB ALA 105 HB2 ALA 105 -8.870 4.828 -7.593 814 3HB ALA 105 HB1 ALA 105 -8.125 4.244 -9.083 815 H PHE 106 HN PHE 106 -5.244 5.123 -6.185 816 HA PHE 106 HA PHE 106 -6.493 6.997 -4.212 817 1HB PHE 106 HB2 PHE 106 -5.355 4.226 -3.845 818 2HB PHE 106 HB1 PHE 106 -5.491 5.348 -2.491 819 HD1 PHE 106 HD1 PHE 106 -7.822 6.488 -2.157 820 HD2 PHE 106 HD2 PHE 106 -7.196 2.908 -4.447 821 HE1 PHE 106 HE1 PHE 106 -10.224 5.919 -1.924 822 HE2 PHE 106 HE2 PHE 106 -9.599 2.339 -4.215 823 HZ PHE 106 HZ PHE 106 -11.113 3.844 -2.953 824 H LYS 107 HN LYS 107 -4.137 7.197 -6.183 825 HA LYS 107 HA LYS 107 -1.698 7.229 -4.687 826 1HB LYS 107 HB2 LYS 107 -0.873 8.728 -6.504 827 2HB LYS 107 HB1 LYS 107 -1.684 7.293 -7.130 828 1HG LYS 107 HG2 LYS 107 -3.820 8.770 -7.148 829 2HG LYS 107 HG1 LYS 107 -2.702 10.128 -7.020 830 1HD LYS 107 HD2 LYS 107 -1.478 9.182 -9.027 831 2HD LYS 107 HD1 LYS 107 -2.811 8.042 -9.213 832 1HE LYS 107 HE2 LYS 107 -4.334 9.707 -9.789 833 2HE LYS 107 HE1 LYS 107 -3.419 10.970 -8.965 834 1HZ LYS 107 HZ3 LYS 107 -1.731 9.983 -10.895 835 2HZ LYS 107 HZ2 LYS 107 -3.243 10.093 -11.663 836 3HZ LYS 107 HZ1 LYS 107 -2.556 11.464 -10.930 837 H ASP 108 HN ASP 108 -4.282 9.595 -5.076 838 HA ASP 108 HA ASP 108 -2.784 11.727 -3.737 839 1HB ASP 108 HB2 ASP 108 -4.785 11.871 -5.476 840 2HB ASP 108 HB1 ASP 108 -5.766 11.783 -4.013 841 H ASP 109 HN ASP 109 -3.142 9.166 -2.298 842 HA ASP 109 HA ASP 109 -4.034 10.286 0.252 843 1HB ASP 109 HB2 ASP 109 -5.653 8.243 -1.242 844 2HB ASP 109 HB1 ASP 109 -5.601 8.190 0.521 845 H VAL 110 HN VAL 110 -1.593 9.135 -0.906 846 HA VAL 110 HA VAL 110 -1.331 6.575 0.583 847 HB VAL 110 HB VAL 110 -0.540 6.614 -1.758 848 1HG1 VAL 110 HG13 VAL 110 1.295 8.798 -0.736 849 2HG1 VAL 110 HG12 VAL 110 1.505 7.978 -2.283 850 3HG1 VAL 110 HG11 VAL 110 0.062 8.947 -1.987 851 1HG2 VAL 110 HG23 VAL 110 0.662 5.360 0.210 852 2HG2 VAL 110 HG22 VAL 110 1.456 5.452 -1.362 853 3HG2 VAL 110 HG21 VAL 110 1.945 6.539 -0.063 854 H ASP 111 HN ASP 111 0.192 6.343 2.258 855 HA ASP 111 HA ASP 111 1.516 8.860 3.187 856 1HB ASP 111 HB2 ASP 111 0.175 6.759 4.920 857 2HB ASP 111 HB1 ASP 111 1.019 8.193 5.505 858 H THR 112 HN THR 112 1.450 5.323 3.767 859 HA THR 112 HA THR 112 4.411 5.413 4.118 860 HB THR 112 HB THR 112 2.606 3.059 4.702 861 HG1 THR 112 HG1 THR 112 2.641 5.441 5.902 862 1HG2 THR 112 HG21 THR 112 5.156 2.873 4.566 863 2HG2 THR 112 HG23 THR 112 5.202 3.888 6.008 864 3HG2 THR 112 HG22 THR 112 4.411 2.313 6.063 865 H LEU 113 HN LEU 113 5.366 5.141 2.142 866 HA LEU 113 HA LEU 113 4.151 3.330 0.148 867 1HB LEU 113 HB2 LEU 113 6.481 5.253 0.101 868 2HB LEU 113 HB1 LEU 113 6.187 4.120 -1.219 869 HG LEU 113 HG LEU 113 3.968 5.885 -0.207 870 1HD1 LEU 113 HD12 LEU 113 6.180 6.592 -2.147 871 2HD1 LEU 113 HD11 LEU 113 4.629 7.430 -2.126 872 3HD1 LEU 113 HD13 LEU 113 5.679 7.483 -0.710 873 1HD2 LEU 113 HD23 LEU 113 3.492 3.982 -1.745 874 2HD2 LEU 113 HD22 LEU 113 3.127 5.542 -2.482 875 3HD2 LEU 113 HD21 LEU 113 4.604 4.684 -2.921 876 H LEU 114 HN LEU 114 4.527 1.218 0.774 877 HA LEU 114 HA LEU 114 7.284 0.450 1.590 878 1HB LEU 114 HB2 LEU 114 4.623 -0.991 1.715 879 2HB LEU 114 HB1 LEU 114 6.158 -1.772 2.097 880 HG LEU 114 HG LEU 114 5.360 0.816 3.422 881 1HD1 LEU 114 HD11 LEU 114 3.566 -0.928 3.743 882 2HD1 LEU 114 HD13 LEU 114 4.787 -1.967 4.478 883 3HD1 LEU 114 HD12 LEU 114 4.363 -0.433 5.238 884 1HD2 LEU 114 HD23 LEU 114 7.211 -1.485 4.121 885 2HD2 LEU 114 HD22 LEU 114 7.687 0.149 3.656 886 3HD2 LEU 114 HD21 LEU 114 6.872 -0.128 5.196 887 H VAL 115 HN VAL 115 8.515 0.112 -0.219 888 HA VAL 115 HA VAL 115 7.308 -1.479 -2.442 889 HB VAL 115 HB VAL 115 8.079 0.778 -3.089 890 1HG1 VAL 115 HG13 VAL 115 9.859 0.905 -1.305 891 2HG1 VAL 115 HG12 VAL 115 10.849 -0.161 -2.302 892 3HG1 VAL 115 HG11 VAL 115 10.391 1.434 -2.901 893 1HG2 VAL 115 HG22 VAL 115 8.407 -1.403 -4.525 894 2HG2 VAL 115 HG21 VAL 115 9.153 0.105 -5.053 895 3HG2 VAL 115 HG23 VAL 115 10.120 -1.114 -4.223 896 H THR 116 HN THR 116 8.242 -3.422 -2.975 897 HA THR 116 HA THR 116 10.618 -4.255 -1.364 898 HB THR 116 HB THR 116 8.583 -6.015 -2.766 899 HG1 THR 116 HG1 THR 116 7.981 -6.372 -0.488 900 1HG2 THR 116 HG23 THR 116 10.926 -6.504 -0.935 901 2HG2 THR 116 HG22 THR 116 9.602 -7.665 -1.045 902 3HG2 THR 116 HG21 THR 116 10.554 -7.274 -2.477 903 H ARG 117 HN ARG 117 12.302 -3.624 -2.721 904 HA ARG 117 HA ARG 117 12.206 -4.248 -5.596 905 1HB ARG 117 HB2 ARG 117 14.462 -3.125 -3.904 906 2HB ARG 117 HB1 ARG 117 14.417 -3.176 -5.667 907 1HG ARG 117 HG2 ARG 117 12.576 -1.647 -5.756 908 2HG ARG 117 HG1 ARG 117 12.300 -1.778 -4.019 909 1HD ARG 117 HD2 ARG 117 13.481 0.230 -4.149 910 2HD ARG 117 HD1 ARG 117 14.780 -0.923 -3.847 911 HE ARG 117 HE ARG 117 14.213 0.406 -6.438 912 1HH1 ARG 117 HH21 ARG 117 16.065 -1.841 -4.544 913 2HH1 ARG 117 HH22 ARG 117 17.359 -1.924 -5.694 914 1HH2 ARG 117 HH11 ARG 117 15.897 0.289 -7.922 915 2HH2 ARG 117 HH12 ARG 117 17.263 -0.725 -7.596 916 H LEU 118 HN LEU 118 13.323 -5.914 -6.587 917 HA LEU 118 HA LEU 118 14.727 -7.828 -4.765 918 1HB LEU 118 HB2 LEU 118 12.772 -8.186 -6.954 919 2HB LEU 118 HB1 LEU 118 14.146 -9.289 -7.014 920 HG LEU 118 HG LEU 118 13.718 -9.820 -4.583 921 1HD1 LEU 118 HD12 LEU 118 12.411 -7.721 -4.145 922 2HD1 LEU 118 HD11 LEU 118 11.097 -8.390 -5.113 923 3HD1 LEU 118 HD13 LEU 118 11.583 -9.185 -3.615 924 1HD2 LEU 118 HD22 LEU 118 12.910 -11.246 -6.477 925 2HD2 LEU 118 HD21 LEU 118 11.864 -11.331 -5.060 926 3HD2 LEU 118 HD23 LEU 118 11.387 -10.357 -6.450 927 H ALA 119 HN ALA 119 16.824 -8.353 -5.262 928 HA ALA 119 HA ALA 119 18.260 -6.777 -7.205 929 1HB ALA 119 HB1 ALA 119 19.218 -7.758 -5.071 930 2HB ALA 119 HB3 ALA 119 19.211 -9.327 -5.876 931 3HB ALA 119 HB2 ALA 119 20.204 -8.016 -6.510 932 H GLY 120 HN GLY 120 16.898 -10.030 -7.205 933 1HA GLY 120 HA2 GLY 120 18.197 -10.913 -9.629 934 2HA GLY 120 HA1 GLY 120 16.763 -11.646 -8.907 935 H SER 121 HN SER 121 17.757 -10.257 -11.670 936 HA SER 121 HA SER 121 15.635 -8.381 -12.245 937 1HB SER 121 HB2 SER 121 17.795 -8.459 -13.496 938 2HB SER 121 HB1 SER 121 17.311 -10.007 -14.182 939 HG SER 121 HG SER 121 15.393 -8.073 -14.405 940 H PHE 122 HN PHE 122 13.646 -8.749 -13.215 941 HA PHE 122 HA PHE 122 12.969 -11.473 -14.152 942 1HB PHE 122 HB2 PHE 122 11.538 -10.066 -11.879 943 2HB PHE 122 HB1 PHE 122 10.892 -11.470 -12.730 944 HD1 PHE 122 HD2 PHE 122 12.602 -13.503 -12.958 945 HD2 PHE 122 HD1 PHE 122 12.811 -10.432 -9.961 946 HE1 PHE 122 HE2 PHE 122 13.955 -15.001 -11.517 947 HE2 PHE 122 HE1 PHE 122 14.162 -11.931 -8.520 948 HZ PHE 122 HZ PHE 122 14.735 -14.216 -9.298 949 H GLU 123 HN GLU 123 12.314 -10.907 -16.184 950 HA GLU 123 HA GLU 123 10.844 -8.410 -16.665 951 1HB GLU 123 HB2 GLU 123 12.574 -9.499 -18.241 952 2HB GLU 123 HB1 GLU 123 11.286 -10.626 -18.668 953 1HG GLU 123 HG2 GLU 123 11.113 -8.886 -20.274 954 2HG GLU 123 HG1 GLU 123 9.840 -8.541 -19.103 955 H GLY 124 HN GLY 124 8.664 -8.290 -17.318 956 1HA GLY 124 HA2 GLY 124 7.079 -10.799 -17.366 957 2HA GLY 124 HA1 GLY 124 6.636 -9.577 -16.173 958 H ASP 125 HN ASP 125 4.935 -8.393 -16.860 959 HA ASP 125 HA ASP 125 4.953 -7.342 -19.639 960 1HB ASP 125 HB2 ASP 125 2.767 -9.007 -18.384 961 2HB ASP 125 HB1 ASP 125 2.429 -7.883 -19.701 962 H THR 126 HN THR 126 3.157 -7.376 -16.544 963 HA THR 126 HA THR 126 2.212 -4.633 -16.964 964 HB THR 126 HB THR 126 2.102 -6.156 -14.360 965 HG1 THR 126 HG1 THR 126 1.345 -7.536 -15.973 966 1HG2 THR 126 HG21 THR 126 1.335 -3.663 -14.853 967 2HG2 THR 126 HG23 THR 126 -0.085 -4.475 -15.513 968 3HG2 THR 126 HG22 THR 126 0.367 -4.721 -13.826 969 H LYS 127 HN LYS 127 3.033 -2.790 -15.974 970 HA LYS 127 HA LYS 127 5.552 -3.156 -14.397 971 1HB LYS 127 HB2 LYS 127 4.773 -0.950 -16.329 972 2HB LYS 127 HB1 LYS 127 6.208 -0.909 -15.304 973 1HG LYS 127 HG2 LYS 127 7.129 -2.854 -16.378 974 2HG LYS 127 HG1 LYS 127 5.623 -3.156 -17.247 975 1HD LYS 127 HD2 LYS 127 5.968 -0.797 -18.257 976 2HD LYS 127 HD1 LYS 127 7.629 -0.945 -17.681 977 1HE LYS 127 HE2 LYS 127 7.557 -3.274 -18.880 978 2HE LYS 127 HE1 LYS 127 6.200 -2.574 -19.765 979 1HZ LYS 127 HZ1 LYS 127 8.111 -0.623 -19.777 980 2HZ LYS 127 HZ3 LYS 127 8.994 -2.050 -20.022 981 3HZ LYS 127 HZ2 LYS 127 7.719 -1.651 -21.071 982 H MET 128 HN MET 128 5.981 -1.072 -13.033 983 HA MET 128 HA MET 128 3.498 -0.530 -11.504 984 1HB MET 128 HB2 MET 128 5.948 -1.186 -10.609 985 2HB MET 128 HB1 MET 128 6.125 0.570 -10.632 986 1HG MET 128 HG2 MET 128 3.663 -0.653 -9.420 987 2HG MET 128 HG1 MET 128 5.159 -0.604 -8.488 988 1HE MET 128 HE1 MET 128 2.056 0.831 -8.609 989 2HE MET 128 HE3 MET 128 2.962 0.793 -7.090 990 3HE MET 128 HE2 MET 128 2.353 2.322 -7.720 991 H ILE 129 HN ILE 129 2.751 1.594 -11.125 992 HA ILE 129 HA ILE 129 3.200 3.497 -13.243 993 HB ILE 129 HB ILE 129 1.794 5.010 -11.820 994 1HG1 ILE 129 HG12 ILE 129 1.708 2.655 -9.915 995 2HG1 ILE 129 HG11 ILE 129 2.722 4.074 -9.650 996 1HG2 ILE 129 HG22 ILE 129 0.935 3.085 -13.344 997 2HG2 ILE 129 HG21 ILE 129 0.580 2.252 -11.830 998 3HG2 ILE 129 HG23 ILE 129 -0.192 3.797 -12.188 999 1HD1 ILE 129 HD11 ILE 129 -0.239 4.343 -10.167 1000 2HD1 ILE 129 HD13 ILE 129 0.385 4.058 -8.542 1001 3HD1 ILE 129 HD12 ILE 129 0.856 5.510 -9.426 1002 HA PRO 130 HA PRO 130 6.519 5.931 -11.554 1003 1HB PRO 130 HB2 PRO 130 5.716 8.451 -12.470 1004 2HB PRO 130 HB1 PRO 130 6.634 7.256 -13.395 1005 1HG PRO 130 HG2 PRO 130 3.947 8.143 -13.827 1006 2HG PRO 130 HG1 PRO 130 4.878 6.969 -14.766 1007 1HD PRO 130 HD2 PRO 130 2.773 6.494 -12.793 1008 2HD PRO 130 HD1 PRO 130 3.477 5.374 -13.971 1009 H LEU 131 HN LEU 131 6.307 5.987 -9.304 1010 HA LEU 131 HA LEU 131 4.285 7.711 -8.041 1011 1HB LEU 131 HB2 LEU 131 6.518 6.025 -6.867 1012 2HB LEU 131 HB1 LEU 131 5.305 6.887 -5.920 1013 HG LEU 131 HG LEU 131 4.574 4.874 -8.056 1014 1HD1 LEU 131 HD13 LEU 131 5.930 3.770 -6.308 1015 2HD1 LEU 131 HD12 LEU 131 4.871 4.441 -5.067 1016 3HD1 LEU 131 HD11 LEU 131 4.243 3.262 -6.219 1017 1HD2 LEU 131 HD22 LEU 131 3.079 6.080 -5.704 1018 2HD2 LEU 131 HD21 LEU 131 2.820 6.469 -7.405 1019 3HD2 LEU 131 HD23 LEU 131 2.430 4.859 -6.800 1020 H ASN 132 HN ASN 132 4.694 9.703 -7.124 1021 HA ASN 132 HA ASN 132 7.165 11.061 -7.878 1022 1HB ASN 132 HB2 ASN 132 4.758 12.049 -7.686 1023 2HB ASN 132 HB1 ASN 132 5.124 12.176 -5.964 1024 1HD2 ASN 132 HD22 ASN 132 7.696 14.263 -8.404 1025 2HD2 ASN 132 HD21 ASN 132 7.277 12.669 -8.811 1026 H TRP 133 HN TRP 133 8.722 9.782 -6.676 1027 HA TRP 133 HA TRP 133 8.606 9.465 -3.818 1028 1HB TRP 133 HB2 TRP 133 10.969 9.426 -5.720 1029 2HB TRP 133 HB1 TRP 133 11.034 8.923 -4.031 1030 HD1 TRP 133 HD1 TRP 133 9.912 7.800 -7.447 1031 HE1 TRP 133 HE1 TRP 133 9.023 5.383 -7.309 1032 HE3 TRP 133 HE3 TRP 133 9.777 7.196 -2.378 1033 HZ2 TRP 133 HZ2 TRP 133 8.345 3.450 -5.313 1034 HZ3 TRP 133 HZ3 TRP 133 9.006 5.060 -1.386 1035 HH2 TRP 133 HH2 TRP 133 8.290 3.188 -2.846 1036 H ASP 134 HN ASP 134 9.379 12.150 -5.829 1037 HA ASP 134 HA ASP 134 11.230 13.545 -4.155 1038 1HB ASP 134 HB2 ASP 134 9.375 14.256 -6.370 1039 2HB ASP 134 HB1 ASP 134 9.896 15.580 -5.327 1040 H ASP 135 HN ASP 135 7.780 13.064 -3.951 1041 HA ASP 135 HA ASP 135 7.521 15.143 -1.847 1042 1HB ASP 135 HB2 ASP 135 5.600 13.529 -3.492 1043 2HB ASP 135 HB1 ASP 135 5.058 14.183 -1.947 1044 H PHE 136 HN PHE 136 9.088 12.660 -1.438 1045 HA PHE 136 HA PHE 136 7.706 11.765 1.028 1046 1HB PHE 136 HB2 PHE 136 8.671 9.930 -1.180 1047 2HB PHE 136 HB1 PHE 136 8.328 9.373 0.458 1048 HD1 PHE 136 HD1 PHE 136 5.987 10.009 1.434 1049 HD2 PHE 136 HD2 PHE 136 6.938 10.038 -2.754 1050 HE1 PHE 136 HE1 PHE 136 3.573 9.874 0.886 1051 HE2 PHE 136 HE2 PHE 136 4.523 9.904 -3.303 1052 HZ PHE 136 HZ PHE 136 2.840 9.822 -1.484 1053 H THR 137 HN THR 137 9.349 10.176 2.212 1054 HA THR 137 HA THR 137 12.172 10.835 1.694 1055 HB THR 137 HB THR 137 10.978 11.528 4.386 1056 HG1 THR 137 HG1 THR 137 10.929 13.629 3.698 1057 1HG2 THR 137 HG21 THR 137 13.636 11.912 3.018 1058 2HG2 THR 137 HG23 THR 137 13.153 12.931 4.374 1059 3HG2 THR 137 HG22 THR 137 13.302 11.187 4.591 1060 H LYS 138 HN LYS 138 13.410 9.099 2.253 1061 HA LYS 138 HA LYS 138 12.168 6.727 3.359 1062 1HB LYS 138 HB2 LYS 138 14.164 6.893 1.709 1063 2HB LYS 138 HB1 LYS 138 15.146 7.159 3.150 1064 1HG LYS 138 HG2 LYS 138 14.571 5.039 4.063 1065 2HG LYS 138 HG1 LYS 138 13.244 4.822 2.923 1066 1HD LYS 138 HD2 LYS 138 15.034 3.453 2.118 1067 2HD LYS 138 HD1 LYS 138 14.995 4.871 1.070 1068 1HE LYS 138 HE2 LYS 138 17.276 4.687 1.593 1069 2HE LYS 138 HE1 LYS 138 16.706 5.875 2.766 1070 1HZ LYS 138 HZ3 LYS 138 16.238 3.634 4.096 1071 2HZ LYS 138 HZ2 LYS 138 17.570 3.128 3.171 1072 3HZ LYS 138 HZ1 LYS 138 17.707 4.475 4.197 1073 H VAL 139 HN VAL 139 11.731 6.511 5.492 1074 HA VAL 139 HA VAL 139 13.345 8.018 7.473 1075 HB VAL 139 HB VAL 139 11.578 7.245 9.078 1076 1HG1 VAL 139 HG11 VAL 139 11.470 9.356 7.568 1077 2HG1 VAL 139 HG13 VAL 139 10.265 8.455 6.648 1078 3HG1 VAL 139 HG12 VAL 139 9.982 8.822 8.350 1079 1HG2 VAL 139 HG23 VAL 139 10.462 6.008 6.543 1080 2HG2 VAL 139 HG22 VAL 139 10.918 5.166 8.025 1081 3HG2 VAL 139 HG21 VAL 139 9.519 6.241 8.015 1082 H SER 140 HN SER 140 12.504 4.704 6.556 1083 HA SER 140 HA SER 140 14.904 3.723 7.947 1084 1HB SER 140 HB2 SER 140 13.594 1.986 9.194 1085 2HB SER 140 HB1 SER 140 13.289 3.626 9.760 1086 HG SER 140 HG SER 140 11.281 3.181 9.348 1087 H SER 141 HN SER 141 14.846 1.142 7.658 1088 HA SER 141 HA SER 141 13.425 0.171 5.315 1089 1HB SER 141 HB2 SER 141 15.086 1.512 4.143 1090 2HB SER 141 HB1 SER 141 16.384 0.801 5.098 1091 HG SER 141 HG SER 141 15.182 -0.124 2.869 1092 H ARG 142 HN ARG 142 13.989 -2.106 4.873 1093 HA ARG 142 HA ARG 142 15.549 -3.402 7.065 1094 1HB ARG 142 HB2 ARG 142 13.013 -3.484 7.418 1095 2HB ARG 142 HB1 ARG 142 12.952 -4.525 5.995 1096 1HG ARG 142 HG2 ARG 142 14.457 -6.130 7.057 1097 2HG ARG 142 HG1 ARG 142 14.635 -5.072 8.457 1098 1HD ARG 142 HD2 ARG 142 12.065 -5.221 8.662 1099 2HD ARG 142 HD1 ARG 142 12.188 -6.594 7.561 1100 HE ARG 142 HE ARG 142 13.037 -6.551 10.363 1101 1HH1 ARG 142 HH21 ARG 142 13.398 -8.028 7.239 1102 2HH1 ARG 142 HH22 ARG 142 13.991 -9.523 7.883 1103 1HH2 ARG 142 HH11 ARG 142 13.807 -8.495 11.186 1104 2HH2 ARG 142 HH12 ARG 142 14.220 -9.785 10.107 1105 H THR 143 HN THR 143 17.277 -4.048 5.800 1106 HA THR 143 HA THR 143 16.862 -5.196 3.134 1107 HB THR 143 HB THR 143 19.434 -5.309 4.710 1108 HG1 THR 143 HG1 THR 143 19.552 -3.191 3.292 1109 1HG2 THR 143 HG23 THR 143 19.164 -6.446 2.465 1110 2HG2 THR 143 HG22 THR 143 18.911 -4.847 1.765 1111 3HG2 THR 143 HG21 THR 143 20.450 -5.240 2.532 1112 H VAL 144 HN VAL 144 17.383 -7.400 2.581 1113 HA VAL 144 HA VAL 144 17.877 -9.336 4.730 1114 HB VAL 144 HB VAL 144 15.436 -8.998 4.893 1115 1HG1 VAL 144 HG12 VAL 144 15.191 -8.299 2.468 1116 2HG1 VAL 144 HG11 VAL 144 15.287 -10.008 2.043 1117 3HG1 VAL 144 HG13 VAL 144 13.960 -9.422 3.046 1118 1HG2 VAL 144 HG21 VAL 144 16.577 -11.306 5.107 1119 2HG2 VAL 144 HG23 VAL 144 14.829 -11.290 4.872 1120 3HG2 VAL 144 HG22 VAL 144 15.897 -11.647 3.515 1121 H GLU 145 HN GLU 145 19.156 -10.900 3.882 1122 HA GLU 145 HA GLU 145 19.251 -11.176 0.913 1123 1HB GLU 145 HB2 GLU 145 21.347 -10.597 2.285 1124 2HB GLU 145 HB1 GLU 145 21.275 -12.257 2.879 1125 1HG GLU 145 HG2 GLU 145 21.501 -13.149 0.658 1126 2HG GLU 145 HG1 GLU 145 21.289 -11.553 -0.065 1127 H ASP 146 HN ASP 146 18.298 -12.956 0.074 1128 HA ASP 146 HA ASP 146 17.402 -15.128 1.820 1129 1HB ASP 146 HB2 ASP 146 16.238 -14.130 -0.315 1130 2HB ASP 146 HB1 ASP 146 17.297 -15.243 -1.182 1131 H THR 147 HN THR 147 17.736 -17.374 0.210 1132 HA THR 147 HA THR 147 20.475 -18.101 0.809 1133 HB THR 147 HB THR 147 19.778 -20.205 -0.550 1134 HG1 THR 147 HG1 THR 147 17.904 -18.701 -1.315 1135 1HG2 THR 147 HG21 THR 147 18.225 -19.355 1.911 1136 2HG2 THR 147 HG23 THR 147 18.416 -21.015 1.348 1137 3HG2 THR 147 HG22 THR 147 19.821 -20.106 1.907 1138 H ASN 148 HN ASN 148 18.710 -17.231 -2.136 1139 HA ASN 148 HA ASN 148 21.244 -17.497 -3.683 1140 1HB ASN 148 HB2 ASN 148 19.113 -18.654 -4.475 1141 2HB ASN 148 HB1 ASN 148 18.466 -17.045 -4.796 1142 1HD2 ASN 148 HD22 ASN 148 21.357 -18.589 -7.243 1143 2HD2 ASN 148 HD21 ASN 148 20.973 -19.367 -5.784 1144 HA PRO 149 HA PRO 149 21.957 -13.096 -3.641 1145 1HB PRO 149 HB2 PRO 149 22.707 -13.119 -6.448 1146 2HB PRO 149 HB1 PRO 149 23.734 -12.895 -5.026 1147 1HG PRO 149 HG2 PRO 149 23.466 -15.218 -6.684 1148 2HG PRO 149 HG1 PRO 149 24.545 -14.965 -5.306 1149 1HD PRO 149 HD2 PRO 149 22.338 -16.696 -5.387 1150 2HD PRO 149 HD1 PRO 149 23.227 -16.197 -3.941 1151 H ALA 150 HN ALA 150 20.426 -14.401 -6.601 1152 HA ALA 150 HA ALA 150 19.123 -11.985 -7.381 1153 1HB ALA 150 HB2 ALA 150 19.394 -14.028 -8.819 1154 2HB ALA 150 HB1 ALA 150 18.146 -14.816 -7.854 1155 3HB ALA 150 HB3 ALA 150 17.751 -13.386 -8.810 1156 H LEU 151 HN LEU 151 18.295 -14.437 -5.015 1157 HA LEU 151 HA LEU 151 15.541 -13.501 -4.688 1158 1HB LEU 151 HB2 LEU 151 17.302 -15.468 -3.229 1159 2HB LEU 151 HB1 LEU 151 15.736 -14.988 -2.571 1160 HG LEU 151 HG LEU 151 16.092 -16.027 -5.391 1161 1HD1 LEU 151 HD12 LEU 151 16.746 -17.687 -3.578 1162 2HD1 LEU 151 HD11 LEU 151 15.085 -17.577 -2.993 1163 3HD1 LEU 151 HD13 LEU 151 15.411 -18.194 -4.613 1164 1HD2 LEU 151 HD22 LEU 151 13.739 -15.469 -3.574 1165 2HD2 LEU 151 HD21 LEU 151 14.058 -14.797 -5.173 1166 3HD2 LEU 151 HD23 LEU 151 13.596 -16.491 -5.004 1167 H THR 152 HN THR 152 18.009 -11.704 -4.249 1168 HA THR 152 HA THR 152 17.686 -10.993 -1.393 1169 HB THR 152 HB THR 152 19.431 -9.704 -3.515 1170 HG1 THR 152 HG1 THR 152 21.057 -10.971 -2.345 1171 1HG2 THR 152 HG22 THR 152 18.778 -8.533 -1.257 1172 2HG2 THR 152 HG21 THR 152 19.918 -9.679 -0.552 1173 3HG2 THR 152 HG23 THR 152 20.463 -8.535 -1.779 1174 H HIS 153 HN HIS 153 16.566 -9.192 -0.710 1175 HA HIS 153 HA HIS 153 15.743 -7.130 -2.653 1176 1HB HIS 153 HB2 HIS 153 13.330 -7.368 -1.998 1177 2HB HIS 153 HB1 HIS 153 13.943 -8.742 -2.917 1178 HD1 HIS 153 HD1 HIS 153 14.840 -10.810 -1.326 1179 HD2 HIS 153 HD2 HIS 153 12.189 -8.102 0.413 1180 HE1 HIS 153 HE1 HIS 153 13.900 -11.948 0.732 1181 H THR 154 HN THR 154 14.461 -5.372 -1.448 1182 HA THR 154 HA THR 154 15.139 -5.267 1.448 1183 HB THR 154 HB THR 154 15.699 -2.969 -0.443 1184 HG1 THR 154 HG1 THR 154 17.918 -3.609 -0.012 1185 1HG2 THR 154 HG23 THR 154 15.266 -2.801 2.171 1186 2HG2 THR 154 HG22 THR 154 16.939 -3.355 2.251 1187 3HG2 THR 154 HG21 THR 154 16.544 -1.859 1.402 1188 H TYR 155 HN TYR 155 13.558 -4.258 2.652 1189 HA TYR 155 HA TYR 155 11.146 -3.352 1.180 1190 1HB TYR 155 HB2 TYR 155 11.595 -3.915 4.128 1191 2HB TYR 155 HB1 TYR 155 10.047 -3.472 3.404 1192 HD1 TYR 155 HD2 TYR 155 8.864 -5.014 1.903 1193 HD2 TYR 155 HD1 TYR 155 12.578 -6.111 3.762 1194 HE1 TYR 155 HE2 TYR 155 8.460 -7.388 1.308 1195 HE2 TYR 155 HE1 TYR 155 12.174 -8.485 3.168 1196 HH TYR 155 HH TYR 155 9.121 -9.570 1.913 1197 H GLU 156 HN GLU 156 11.700 -1.247 0.532 1198 HA GLU 156 HA GLU 156 12.885 0.667 2.381 1199 1HB GLU 156 HB2 GLU 156 11.671 0.877 -0.378 1200 2HB GLU 156 HB1 GLU 156 12.189 2.307 0.516 1201 1HG GLU 156 HG2 GLU 156 14.427 1.023 0.837 1202 2HG GLU 156 HG1 GLU 156 13.861 0.012 -0.494 1203 H VAL 157 HN VAL 157 11.804 1.926 3.821 1204 HA VAL 157 HA VAL 157 8.820 2.026 3.613 1205 HB VAL 157 HB VAL 157 10.534 2.398 6.088 1206 1HG1 VAL 157 HG11 VAL 157 7.567 2.238 5.550 1207 2HG1 VAL 157 HG13 VAL 157 8.234 1.888 7.145 1208 3HG1 VAL 157 HG12 VAL 157 8.455 3.484 6.428 1209 1HG2 VAL 157 HG21 VAL 157 9.321 -0.012 4.794 1210 2HG2 VAL 157 HG23 VAL 157 10.821 0.131 5.710 1211 3HG2 VAL 157 HG22 VAL 157 9.273 0.090 6.554 1212 H TRP 158 HN TRP 158 8.431 3.944 2.554 1213 HA TRP 158 HA TRP 158 9.917 6.374 3.431 1214 1HB TRP 158 HB2 TRP 158 8.151 5.841 1.023 1215 2HB TRP 158 HB1 TRP 158 8.866 7.409 1.395 1216 HD1 TRP 158 HD1 TRP 158 10.075 3.757 0.940 1217 HE1 TRP 158 HE1 TRP 158 12.369 3.817 -0.237 1218 HE3 TRP 158 HE3 TRP 158 10.754 8.806 0.589 1219 HZ2 TRP 158 HZ2 TRP 158 14.243 5.751 -1.199 1220 HZ3 TRP 158 HZ3 TRP 158 12.802 9.729 -0.460 1221 HH2 TRP 158 HH2 TRP 158 14.545 8.210 -1.353 1222 H GLN 159 HN GLN 159 8.580 8.382 3.692 1223 HA GLN 159 HA GLN 159 5.768 7.854 4.514 1224 1HB GLN 159 HB2 GLN 159 7.958 9.043 6.228 1225 2HB GLN 159 HB1 GLN 159 6.250 9.344 6.553 1226 1HG GLN 159 HG2 GLN 159 7.307 6.538 6.208 1227 2HG GLN 159 HG1 GLN 159 7.355 7.351 7.774 1228 1HE2 GLN 159 HE22 GLN 159 3.813 7.232 8.241 1229 2HE2 GLN 159 HE21 GLN 159 5.236 8.026 8.715 1230 H LYS 160 HN LYS 160 4.413 9.670 4.275 1231 HA LYS 160 HA LYS 160 5.226 11.641 2.346 1232 1HB LYS 160 HB2 LYS 160 2.853 10.797 2.814 1233 2HB LYS 160 HB1 LYS 160 2.852 11.883 4.204 1234 1HG LYS 160 HG2 LYS 160 3.207 13.809 2.789 1235 2HG LYS 160 HG1 LYS 160 3.460 12.784 1.376 1236 1HD LYS 160 HD2 LYS 160 1.107 11.906 1.717 1237 2HD LYS 160 HD1 LYS 160 0.889 13.172 2.926 1238 1HE LYS 160 HE2 LYS 160 1.695 14.796 1.077 1239 2HE LYS 160 HE1 LYS 160 1.361 13.470 -0.037 1240 1HZ LYS 160 HZ3 LYS 160 -0.844 13.562 1.551 1241 2HZ LYS 160 HZ2 LYS 160 -0.460 15.203 1.334 1242 3HZ LYS 160 HZ1 LYS 160 -0.724 14.203 -0.014 1243 H LYS 161 HN LYS 161 6.565 13.315 2.784 1244 HA LYS 161 HA LYS 161 6.054 15.111 5.012 1245 1HB LYS 161 HB2 LYS 161 7.355 13.151 6.031 1246 2HB LYS 161 HB1 LYS 161 8.722 13.687 5.054 1247 1HG LYS 161 HG2 LYS 161 8.257 16.027 6.097 1248 2HG LYS 161 HG1 LYS 161 7.339 15.130 7.308 1249 1HD LYS 161 HD2 LYS 161 9.485 13.634 7.444 1250 2HD LYS 161 HD1 LYS 161 10.283 15.024 6.710 1251 1HE LYS 161 HE2 LYS 161 9.116 16.408 8.568 1252 2HE LYS 161 HE1 LYS 161 8.874 14.856 9.369 1253 1HZ LYS 161 HZ1 LYS 161 11.519 15.774 8.400 1254 2HZ LYS 161 HZ3 LYS 161 10.961 16.076 9.974 1255 3HZ LYS 161 HZ2 LYS 161 11.184 14.477 9.445 1256 H ALA 162 HN ALA 162 6.325 17.011 3.955 1257 HA ALA 162 HA ALA 162 8.265 17.220 1.743 1258 1HB ALA 162 HB1 ALA 162 6.003 18.224 1.530 1259 2HB ALA 162 HB3 ALA 162 6.367 19.293 2.886 1260 3HB ALA 162 HB2 ALA 162 7.275 19.436 1.380 1261 1H9 TMQ 170 H91 TMQ 170 0.009 -10.520 -6.144 1262 2H9 TMQ 170 H92 TMQ 170 -0.832 -11.326 -4.810 1263 HN1 TMQ 170 H1N TMQ 170 1.253 -12.475 -6.496 1264 1H17 TMQ 170 HM1 TMQ 170 -1.079 -9.126 -4.894 1265 2H17 TMQ 170 HM2 TMQ 170 -1.201 -8.312 -3.336 1266 3H17 TMQ 170 HM3 TMQ 170 -0.330 -7.545 -4.672 1267 1H21 TMQ 170 HW11 TMQ 170 0.054 -13.392 -1.259 1268 2H21 TMQ 170 HW12 TMQ 170 -1.118 -13.908 -0.038 1269 3H21 TMQ 170 HW13 TMQ 170 -1.643 -12.908 -1.401 1270 1H22 TMQ 170 HI1 TMQ 170 0.363 -16.833 -1.581 1271 2H22 TMQ 170 HI2 TMQ 170 0.004 -18.548 -1.835 1272 3H22 TMQ 170 HI3 TMQ 170 1.183 -17.728 -2.870 1273 1H23 TMQ 170 HW21 TMQ 170 2.268 -16.903 -6.379 1274 2H23 TMQ 170 HW22 TMQ 170 1.012 -16.656 -7.602 1275 3H23 TMQ 170 HW23 TMQ 170 1.529 -18.296 -7.182 1276 1HN2 TMQ 170 HN21 TMQ 170 5.278 -7.561 0.149 1277 2HN2 TMQ 170 HN22 TMQ 170 4.326 -6.130 0.351 1278 1HN5 TMQ 170 HN41 TMQ 170 0.429 -5.495 -1.826 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.275 -6.603 -2.921 1280 HN TMQ 170 H1 TMQ 170 4.568 -9.210 -1.262 1281 H7 TMQ 170 H7 TMQ 170 2.471 -12.091 -4.285 1282 H8 TMQ 170 H8 TMQ 170 4.028 -11.076 -2.686 1283 H12 TMQ 170 HP2 TMQ 170 -0.456 -12.671 -3.293 1284 H16 TMQ 170 HP6 TMQ 170 0.940 -14.850 -6.753 No H/Q in entry = 1284 Start of MODEL 8 1 1H THR 1 HT2 THR 1 -3.033 6.218 4.673 2 2H THR 1 HT1 THR 1 -3.589 7.181 3.389 3 3H THR 1 HT3 THR 1 -4.700 6.389 4.397 4 HA THR 1 HA THR 1 -4.474 4.414 3.370 5 HB THR 1 HB THR 1 -3.218 6.117 1.204 6 HG1 THR 1 HG1 THR 1 -5.320 6.749 2.509 7 1HG2 THR 1 HG22 THR 1 -5.092 3.737 1.205 8 2HG2 THR 1 HG21 THR 1 -4.652 4.654 -0.236 9 3HG2 THR 1 HG23 THR 1 -3.417 3.761 0.652 10 H ALA 2 HN ALA 2 -3.048 2.763 2.405 11 HA ALA 2 HA ALA 2 -0.139 3.289 2.841 12 1HB ALA 2 HB3 ALA 2 -1.049 2.073 4.799 13 2HB ALA 2 HB2 ALA 2 -1.653 0.812 3.725 14 3HB ALA 2 HB1 ALA 2 0.084 1.072 3.889 15 H PHE 3 HN PHE 3 1.047 2.681 1.098 16 HA PHE 3 HA PHE 3 -0.267 0.980 -0.967 17 1HB PHE 3 HB2 PHE 3 1.926 3.039 -1.032 18 2HB PHE 3 HB1 PHE 3 1.811 1.835 -2.316 19 HD1 PHE 3 HD2 PHE 3 -0.688 3.836 -0.344 20 HD2 PHE 3 HD1 PHE 3 0.765 2.665 -4.213 21 HE1 PHE 3 HE2 PHE 3 -2.497 5.146 -1.420 22 HE2 PHE 3 HE1 PHE 3 -1.044 3.976 -5.289 23 HZ PHE 3 HZ PHE 3 -2.675 5.215 -3.894 24 H LEU 4 HN LEU 4 0.604 -0.990 -1.529 25 HA LEU 4 HA LEU 4 3.314 -1.726 -0.604 26 1HB LEU 4 HB2 LEU 4 1.763 -2.297 1.280 27 2HB LEU 4 HB1 LEU 4 0.874 -3.351 0.180 28 HG LEU 4 HG LEU 4 3.272 -4.373 -0.274 29 1HD1 LEU 4 HD11 LEU 4 3.552 -2.812 2.270 30 2HD1 LEU 4 HD13 LEU 4 4.380 -4.363 2.129 31 3HD1 LEU 4 HD12 LEU 4 4.729 -3.068 0.982 32 1HD2 LEU 4 HD23 LEU 4 1.142 -5.329 0.919 33 2HD2 LEU 4 HD22 LEU 4 2.694 -6.127 1.171 34 3HD2 LEU 4 HD21 LEU 4 2.055 -5.033 2.398 35 H TRP 5 HN TRP 5 4.163 -2.441 -2.507 36 HA TRP 5 HA TRP 5 2.668 -4.536 -3.988 37 1HB TRP 5 HB2 TRP 5 3.129 -3.445 -6.148 38 2HB TRP 5 HB1 TRP 5 2.154 -2.398 -5.119 39 HD1 TRP 5 HD1 TRP 5 5.237 -2.428 -7.124 40 HE1 TRP 5 HE1 TRP 5 6.653 -0.325 -6.669 41 HE3 TRP 5 HE3 TRP 5 2.894 -0.670 -2.937 42 HZ2 TRP 5 HZ2 TRP 5 6.780 1.817 -4.782 43 HZ3 TRP 5 HZ3 TRP 5 3.687 1.401 -1.832 44 HH2 TRP 5 HH2 TRP 5 5.624 2.647 -2.749 45 H ALA 6 HN ALA 6 4.049 -5.936 -5.217 46 HA ALA 6 HA ALA 6 6.876 -5.884 -4.290 47 1HB ALA 6 HB3 ALA 6 5.453 -7.954 -3.982 48 2HB ALA 6 HB2 ALA 6 5.412 -8.109 -5.738 49 3HB ALA 6 HB1 ALA 6 6.947 -8.226 -4.877 50 H GLN 7 HN GLN 7 8.216 -4.840 -5.682 51 HA GLN 7 HA GLN 7 7.918 -5.418 -8.598 52 1HB GLN 7 HB2 GLN 7 8.618 -3.048 -9.033 53 2HB GLN 7 HB1 GLN 7 7.045 -3.176 -8.245 54 1HG GLN 7 HG2 GLN 7 7.852 -2.414 -6.201 55 2HG GLN 7 HG1 GLN 7 9.504 -2.932 -6.545 56 1HE2 GLN 7 HE22 GLN 7 10.276 0.008 -8.478 57 2HE2 GLN 7 HE21 GLN 7 10.649 -1.641 -8.334 58 H ASP 8 HN ASP 8 9.910 -5.462 -9.760 59 HA ASP 8 HA ASP 8 12.295 -5.816 -8.010 60 1HB ASP 8 HB2 ASP 8 13.257 -6.965 -10.048 61 2HB ASP 8 HB1 ASP 8 11.843 -7.762 -9.359 62 H ARG 9 HN ARG 9 14.421 -5.172 -9.190 63 HA ARG 9 HA ARG 9 14.403 -2.357 -9.649 64 1HB ARG 9 HB2 ARG 9 16.747 -2.716 -10.465 65 2HB ARG 9 HB1 ARG 9 16.428 -3.480 -8.908 66 1HG ARG 9 HG2 ARG 9 16.075 -5.639 -10.002 67 2HG ARG 9 HG1 ARG 9 16.294 -4.896 -11.586 68 1HD ARG 9 HD2 ARG 9 18.426 -4.724 -9.456 69 2HD ARG 9 HD1 ARG 9 18.336 -6.094 -10.563 70 HE ARG 9 HE ARG 9 18.288 -3.536 -11.953 71 1HH1 ARG 9 HH11 ARG 9 20.298 -5.960 -10.483 72 2HH1 ARG 9 HH12 ARG 9 21.685 -5.560 -11.442 73 1HH2 ARG 9 HH21 ARG 9 20.094 -3.028 -13.190 74 2HH2 ARG 9 HH22 ARG 9 21.569 -3.910 -12.966 75 H ASP 10 HN ASP 10 13.710 -4.996 -11.757 76 HA ASP 10 HA ASP 10 14.361 -3.615 -14.242 77 1HB ASP 10 HB2 ASP 10 12.868 -6.138 -13.543 78 2HB ASP 10 HB1 ASP 10 12.849 -5.506 -15.189 79 H GLY 11 HN GLY 11 12.307 -2.589 -12.089 80 1HA GLY 11 HA2 GLY 11 10.362 -1.280 -12.159 81 2HA GLY 11 HA1 GLY 11 10.631 -1.149 -13.897 82 H LEU 12 HN LEU 12 10.120 -4.151 -12.087 83 HA LEU 12 HA LEU 12 7.683 -4.619 -13.751 84 1HB LEU 12 HB2 LEU 12 9.826 -6.208 -13.634 85 2HB LEU 12 HB1 LEU 12 8.990 -6.818 -12.205 86 HG LEU 12 HG LEU 12 6.911 -7.027 -13.661 87 1HD1 LEU 12 HD12 LEU 12 9.004 -6.455 -15.773 88 2HD1 LEU 12 HD11 LEU 12 7.466 -7.241 -16.134 89 3HD1 LEU 12 HD13 LEU 12 7.489 -5.595 -15.499 90 1HD2 LEU 12 HD23 LEU 12 8.601 -8.882 -13.039 91 2HD2 LEU 12 HD22 LEU 12 7.539 -9.189 -14.412 92 3HD2 LEU 12 HD21 LEU 12 9.211 -8.700 -14.684 93 H ILE 13 HN ILE 13 5.974 -5.974 -12.601 94 HA ILE 13 HA ILE 13 5.889 -5.502 -9.666 95 HB ILE 13 HB ILE 13 3.533 -4.670 -9.891 96 1HG1 ILE 13 HG12 ILE 13 4.250 -4.387 -12.824 97 2HG1 ILE 13 HG11 ILE 13 3.209 -5.662 -12.190 98 1HG2 ILE 13 HG21 ILE 13 5.668 -3.065 -11.329 99 2HG2 ILE 13 HG23 ILE 13 4.175 -2.402 -10.666 100 3HG2 ILE 13 HG22 ILE 13 5.390 -3.089 -9.589 101 1HD1 ILE 13 HD13 ILE 13 2.595 -2.809 -11.501 102 2HD1 ILE 13 HD12 ILE 13 2.149 -3.419 -13.094 103 3HD1 ILE 13 HD11 ILE 13 1.499 -4.182 -11.643 104 H GLY 14 HN GLY 14 4.707 -7.171 -12.524 105 1HA GLY 14 HA2 GLY 14 4.250 -9.605 -11.025 106 2HA GLY 14 HA1 GLY 14 2.728 -8.843 -11.487 107 H LYS 15 HN LYS 15 2.558 -10.944 -12.751 108 HA LYS 15 HA LYS 15 3.071 -10.450 -15.536 109 1HB LYS 15 HB2 LYS 15 5.375 -11.128 -14.694 110 2HB LYS 15 HB1 LYS 15 4.693 -12.720 -14.360 111 1HG LYS 15 HG2 LYS 15 3.883 -12.689 -16.808 112 2HG LYS 15 HG1 LYS 15 5.002 -11.343 -17.028 113 1HD LYS 15 HD2 LYS 15 6.882 -12.700 -16.361 114 2HD LYS 15 HD1 LYS 15 5.820 -14.021 -15.874 115 1HE LYS 15 HE2 LYS 15 6.548 -14.699 -18.003 116 2HE LYS 15 HE1 LYS 15 4.987 -13.952 -18.342 117 1HZ LYS 15 HZ3 LYS 15 6.161 -11.879 -18.852 118 2HZ LYS 15 HZ2 LYS 15 7.649 -12.660 -18.600 119 3HZ LYS 15 HZ1 LYS 15 6.637 -13.145 -19.876 120 H ASP 16 HN ASP 16 1.209 -11.281 -16.332 121 HA ASP 16 HA ASP 16 -0.567 -12.759 -16.725 122 1HB ASP 16 HB2 ASP 16 1.736 -14.505 -16.025 123 2HB ASP 16 HB1 ASP 16 0.138 -15.248 -15.945 124 H GLY 17 HN GLY 17 -0.398 -11.356 -14.167 125 1HA GLY 17 HA2 GLY 17 -1.964 -11.342 -12.359 126 2HA GLY 17 HA1 GLY 17 -2.290 -13.050 -12.659 127 H HIS 18 HN HIS 18 -0.115 -14.417 -12.349 128 HA HIS 18 HA HIS 18 0.609 -14.096 -9.551 129 1HB HIS 18 HB2 HIS 18 2.079 -16.082 -9.994 130 2HB HIS 18 HB1 HIS 18 0.400 -16.338 -10.468 131 HD1 HIS 18 HD1 HIS 18 3.754 -15.415 -12.004 132 HD2 HIS 18 HD2 HIS 18 0.051 -16.936 -13.167 133 HE1 HIS 18 HE1 HIS 18 3.987 -16.083 -14.436 134 H LEU 19 HN LEU 19 3.036 -14.215 -8.955 135 HA LEU 19 HA LEU 19 4.359 -11.915 -10.184 136 1HB LEU 19 HB2 LEU 19 4.984 -13.753 -7.880 137 2HB LEU 19 HB1 LEU 19 6.207 -12.638 -8.491 138 HG LEU 19 HG LEU 19 3.425 -11.704 -7.779 139 1HD1 LEU 19 HD11 LEU 19 5.747 -12.340 -6.015 140 2HD1 LEU 19 HD13 LEU 19 4.857 -10.855 -5.679 141 3HD1 LEU 19 HD12 LEU 19 4.019 -12.407 -5.666 142 1HD2 LEU 19 HD23 LEU 19 6.083 -10.470 -8.421 143 2HD2 LEU 19 HD22 LEU 19 4.474 -10.008 -8.976 144 3HD2 LEU 19 HD21 LEU 19 4.989 -9.609 -7.338 145 HA PRO 20 HA PRO 20 7.038 -14.184 -12.923 146 1HB PRO 20 HB2 PRO 20 9.169 -12.374 -12.952 147 2HB PRO 20 HB1 PRO 20 7.725 -12.287 -13.967 148 1HG PRO 20 HG2 PRO 20 8.507 -10.536 -11.836 149 2HG PRO 20 HG1 PRO 20 7.093 -10.421 -12.893 150 1HD PRO 20 HD2 PRO 20 7.242 -11.340 -10.129 151 2HD PRO 20 HD1 PRO 20 5.816 -10.939 -11.099 152 H TRP 21 HN TRP 21 8.338 -13.048 -9.852 153 HA TRP 21 HA TRP 21 10.492 -15.108 -10.010 154 1HB TRP 21 HB2 TRP 21 11.465 -13.877 -8.051 155 2HB TRP 21 HB1 TRP 21 11.331 -12.883 -9.501 156 HD1 TRP 21 HD1 TRP 21 9.619 -13.482 -6.117 157 HE1 TRP 21 HE1 TRP 21 8.253 -11.382 -5.508 158 HE3 TRP 21 HE3 TRP 21 10.190 -10.780 -10.413 159 HZ2 TRP 21 HZ2 TRP 21 7.502 -8.886 -6.686 160 HZ3 TRP 21 HZ3 TRP 21 9.140 -8.547 -10.642 161 HH2 TRP 21 HH2 TRP 21 7.798 -7.597 -8.787 162 H HIS 22 HN HIS 22 10.961 -15.654 -7.397 163 HA HIS 22 HA HIS 22 8.357 -16.473 -6.204 164 1HB HIS 22 HB2 HIS 22 9.416 -18.339 -7.604 165 2HB HIS 22 HB1 HIS 22 10.705 -18.369 -6.401 166 HD1 HIS 22 HD1 HIS 22 6.879 -18.366 -6.303 167 HD2 HIS 22 HD2 HIS 22 10.123 -20.179 -4.414 168 HE1 HIS 22 HE1 HIS 22 5.910 -19.968 -4.598 169 H LEU 23 HN LEU 23 8.511 -15.227 -4.364 170 HA LEU 23 HA LEU 23 10.953 -15.622 -2.680 171 1HB LEU 23 HB2 LEU 23 10.510 -13.275 -3.764 172 2HB LEU 23 HB1 LEU 23 9.275 -13.131 -2.512 173 HG LEU 23 HG LEU 23 11.018 -13.680 -0.800 174 1HD1 LEU 23 HD11 LEU 23 12.706 -13.743 -3.289 175 2HD1 LEU 23 HD13 LEU 23 13.427 -13.259 -1.755 176 3HD1 LEU 23 HD12 LEU 23 12.701 -14.857 -1.922 177 1HD2 LEU 23 HD23 LEU 23 10.437 -11.285 -1.913 178 2HD2 LEU 23 HD22 LEU 23 11.619 -11.470 -0.617 179 3HD2 LEU 23 HD21 LEU 23 12.158 -11.369 -2.292 180 HA PRO 24 HA PRO 24 7.267 -17.574 -0.551 181 1HB PRO 24 HB2 PRO 24 9.336 -18.738 1.137 182 2HB PRO 24 HB1 PRO 24 8.164 -19.550 0.091 183 1HG PRO 24 HG2 PRO 24 10.954 -19.112 -0.375 184 2HG PRO 24 HG1 PRO 24 9.788 -19.958 -1.401 185 1HD PRO 24 HD2 PRO 24 11.018 -17.498 -1.967 186 2HD PRO 24 HD1 PRO 24 9.632 -18.200 -2.816 187 H ASP 25 HN ASP 25 10.186 -16.057 0.802 188 HA ASP 25 HA ASP 25 9.153 -15.562 3.422 189 1HB ASP 25 HB2 ASP 25 11.580 -15.305 2.481 190 2HB ASP 25 HB1 ASP 25 11.058 -13.673 2.057 191 H ASP 26 HN ASP 26 9.317 -13.407 0.565 192 HA ASP 26 HA ASP 26 7.864 -11.251 1.755 193 1HB ASP 26 HB2 ASP 26 9.224 -11.079 -0.341 194 2HB ASP 26 HB1 ASP 26 7.980 -12.004 -1.182 195 H LEU 27 HN LEU 27 6.821 -14.130 -0.023 196 HA LEU 27 HA LEU 27 4.072 -13.392 -0.332 197 1HB LEU 27 HB2 LEU 27 5.443 -16.085 -0.151 198 2HB LEU 27 HB1 LEU 27 3.717 -15.909 -0.474 199 HG LEU 27 HG LEU 27 5.898 -14.603 -2.125 200 1HD1 LEU 27 HD11 LEU 27 4.378 -17.191 -2.451 201 2HD1 LEU 27 HD13 LEU 27 5.062 -16.344 -3.839 202 3HD1 LEU 27 HD12 LEU 27 6.118 -16.924 -2.550 203 1HD2 LEU 27 HD23 LEU 27 2.908 -14.641 -2.159 204 2HD2 LEU 27 HD22 LEU 27 4.016 -13.329 -2.559 205 3HD2 LEU 27 HD21 LEU 27 3.746 -14.637 -3.710 206 H HIS 28 HN HIS 28 5.906 -14.535 2.395 207 HA HIS 28 HA HIS 28 3.519 -15.294 3.938 208 1HB HIS 28 HB2 HIS 28 6.476 -15.192 4.527 209 2HB HIS 28 HB1 HIS 28 5.298 -15.453 5.812 210 HD1 HIS 28 HD1 HIS 28 3.297 -17.304 4.536 211 HD2 HIS 28 HD2 HIS 28 7.400 -17.733 3.937 212 HE1 HIS 28 HE1 HIS 28 3.670 -19.709 3.838 213 H TYR 29 HN TYR 29 5.671 -12.547 3.579 214 HA TYR 29 HA TYR 29 4.922 -11.144 5.968 215 1HB TYR 29 HB2 TYR 29 6.896 -10.610 4.472 216 2HB TYR 29 HB1 TYR 29 5.751 -9.901 3.333 217 HD1 TYR 29 HD1 TYR 29 6.178 -9.838 7.067 218 HD2 TYR 29 HD2 TYR 29 5.683 -7.580 3.447 219 HE1 TYR 29 HE1 TYR 29 6.171 -7.734 8.380 220 HE2 TYR 29 HE2 TYR 29 5.676 -5.477 4.760 221 HH TYR 29 HH TYR 29 5.986 -4.565 6.770 222 H PHE 30 HN PHE 30 3.343 -11.614 2.905 223 HA PHE 30 HA PHE 30 1.598 -9.348 2.921 224 1HB PHE 30 HB2 PHE 30 1.964 -10.940 0.990 225 2HB PHE 30 HB1 PHE 30 0.953 -12.106 1.845 226 HD1 PHE 30 HD1 PHE 30 0.962 -8.585 0.576 227 HD2 PHE 30 HD2 PHE 30 -1.388 -12.019 1.641 228 HE1 PHE 30 HE1 PHE 30 -1.071 -7.466 -0.299 229 HE2 PHE 30 HE2 PHE 30 -3.420 -10.901 0.766 230 HZ PHE 30 HZ PHE 30 -3.262 -8.623 -0.204 231 H ARG 31 HN ARG 31 1.176 -12.652 4.208 232 HA ARG 31 HA ARG 31 -1.462 -12.218 5.251 233 1HB ARG 31 HB2 ARG 31 -0.054 -14.432 4.925 234 2HB ARG 31 HB1 ARG 31 0.457 -14.103 6.581 235 1HG ARG 31 HG2 ARG 31 -2.044 -13.826 7.118 236 2HG ARG 31 HG1 ARG 31 -2.343 -14.581 5.551 237 1HD ARG 31 HD2 ARG 31 -1.302 -16.605 6.200 238 2HD ARG 31 HD1 ARG 31 -0.507 -15.852 7.581 239 HE ARG 31 HE ARG 31 -3.401 -15.720 7.787 240 1HH1 ARG 31 HH21 ARG 31 -0.604 -17.729 8.247 241 2HH1 ARG 31 HH22 ARG 31 -1.358 -18.705 9.464 242 1HH2 ARG 31 HH11 ARG 31 -4.368 -16.994 9.367 243 2HH2 ARG 31 HH12 ARG 31 -3.479 -18.290 10.093 244 H ALA 32 HN ALA 32 1.719 -11.388 6.409 245 HA ALA 32 HA ALA 32 0.866 -10.920 9.169 246 1HB ALA 32 HB1 ALA 32 3.249 -11.501 8.336 247 2HB ALA 32 HB3 ALA 32 3.360 -9.798 7.891 248 3HB ALA 32 HB2 ALA 32 3.100 -10.255 9.574 249 H GLN 33 HN GLN 33 1.064 -9.093 6.199 250 HA GLN 33 HA GLN 33 0.399 -6.589 7.688 251 1HB GLN 33 HB2 GLN 33 1.581 -7.101 4.955 252 2HB GLN 33 HB1 GLN 33 0.905 -5.531 5.391 253 1HG GLN 33 HG2 GLN 33 3.009 -6.937 7.054 254 2HG GLN 33 HG1 GLN 33 3.404 -5.774 5.788 255 1HE2 GLN 33 HE22 GLN 33 1.886 -3.009 7.622 256 2HE2 GLN 33 HE21 GLN 33 1.974 -3.619 6.040 257 H THR 34 HN THR 34 -1.559 -8.673 7.255 258 HA THR 34 HA THR 34 -3.491 -7.125 5.599 259 HB THR 34 HB THR 34 -4.395 -9.390 4.812 260 HG1 THR 34 HG1 THR 34 -1.875 -10.113 5.873 261 1HG2 THR 34 HG23 THR 34 -1.728 -8.268 3.959 262 2HG2 THR 34 HG22 THR 34 -2.478 -9.616 3.103 263 3HG2 THR 34 HG21 THR 34 -3.301 -8.058 3.190 264 H VAL 35 HN VAL 35 -2.902 -9.528 8.122 265 HA VAL 35 HA VAL 35 -5.644 -9.818 8.949 266 HB VAL 35 HB VAL 35 -4.636 -10.693 11.073 267 1HG1 VAL 35 HG11 VAL 35 -4.900 -12.026 8.894 268 2HG1 VAL 35 HG13 VAL 35 -3.170 -11.777 8.662 269 3HG1 VAL 35 HG12 VAL 35 -3.751 -12.663 10.072 270 1HG2 VAL 35 HG21 VAL 35 -2.100 -9.765 9.700 271 2HG2 VAL 35 HG23 VAL 35 -2.696 -9.282 11.287 272 3HG2 VAL 35 HG22 VAL 35 -2.106 -10.923 11.029 273 H GLY 36 HN GLY 36 -6.891 -8.385 10.038 274 1HA GLY 36 HA2 GLY 36 -7.462 -6.674 11.568 275 2HA GLY 36 HA1 GLY 36 -5.763 -6.572 12.034 276 H LYS 37 HN LYS 37 -7.079 -6.290 8.752 277 HA LYS 37 HA LYS 37 -6.691 -3.371 8.740 278 1HB LYS 37 HB2 LYS 37 -4.966 -5.253 7.107 279 2HB LYS 37 HB1 LYS 37 -5.117 -3.528 6.769 280 1HG LYS 37 HG2 LYS 37 -4.452 -3.159 9.226 281 2HG LYS 37 HG1 LYS 37 -3.959 -4.853 9.224 282 1HD LYS 37 HD2 LYS 37 -2.497 -4.380 7.252 283 2HD LYS 37 HD1 LYS 37 -2.920 -2.673 7.390 284 1HE LYS 37 HE2 LYS 37 -1.993 -2.613 9.668 285 2HE LYS 37 HE1 LYS 37 -1.597 -4.328 9.562 286 1HZ LYS 37 HZ2 LYS 37 -0.535 -2.211 7.770 287 2HZ LYS 37 HZ1 LYS 37 0.313 -2.914 9.063 288 3HZ LYS 37 HZ3 LYS 37 -0.124 -3.859 7.725 289 H ILE 38 HN ILE 38 -7.255 -2.501 6.490 290 HA ILE 38 HA ILE 38 -9.593 -4.018 5.480 291 HB ILE 38 HB ILE 38 -8.656 -1.226 4.752 292 1HG1 ILE 38 HG12 ILE 38 -10.800 -2.053 6.733 293 2HG1 ILE 38 HG11 ILE 38 -9.176 -1.548 7.200 294 1HG2 ILE 38 HG23 ILE 38 -11.200 -2.797 4.297 295 2HG2 ILE 38 HG22 ILE 38 -11.138 -1.040 4.159 296 3HG2 ILE 38 HG21 ILE 38 -10.160 -2.044 3.088 297 1HD1 ILE 38 HD11 ILE 38 -10.757 0.221 5.370 298 2HD1 ILE 38 HD13 ILE 38 -11.146 0.218 7.090 299 3HD1 ILE 38 HD12 ILE 38 -9.523 0.654 6.552 300 H MET 39 HN MET 39 -8.944 -5.534 3.996 301 HA MET 39 HA MET 39 -6.731 -5.043 2.153 302 1HB MET 39 HB2 MET 39 -7.708 -7.315 3.167 303 2HB MET 39 HB1 MET 39 -8.683 -7.260 1.698 304 1HG MET 39 HG2 MET 39 -5.742 -6.747 1.474 305 2HG MET 39 HG1 MET 39 -6.292 -8.409 1.688 306 1HE MET 39 HE1 MET 39 -7.715 -9.591 0.542 307 2HE MET 39 HE3 MET 39 -9.068 -8.741 -0.217 308 3HE MET 39 HE2 MET 39 -7.884 -9.585 -1.212 309 H VAL 40 HN VAL 40 -6.978 -3.807 0.367 310 HA VAL 40 HA VAL 40 -9.619 -3.876 -1.039 311 HB VAL 40 HB VAL 40 -7.748 -1.497 -0.846 312 1HG1 VAL 40 HG11 VAL 40 -9.206 -1.685 -2.885 313 2HG1 VAL 40 HG13 VAL 40 -10.612 -1.695 -1.820 314 3HG1 VAL 40 HG12 VAL 40 -9.567 -0.276 -1.888 315 1HG2 VAL 40 HG23 VAL 40 -10.205 -2.291 0.717 316 2HG2 VAL 40 HG22 VAL 40 -8.652 -1.722 1.330 317 3HG2 VAL 40 HG21 VAL 40 -9.752 -0.596 0.533 318 H VAL 41 HN VAL 41 -9.386 -4.757 -3.025 319 HA VAL 41 HA VAL 41 -6.886 -4.197 -4.553 320 HB VAL 41 HB VAL 41 -6.940 -6.571 -5.367 321 1HG1 VAL 41 HG13 VAL 41 -6.511 -5.873 -2.472 322 2HG1 VAL 41 HG12 VAL 41 -6.266 -7.530 -3.025 323 3HG1 VAL 41 HG11 VAL 41 -5.312 -6.219 -3.719 324 1HG2 VAL 41 HG23 VAL 41 -9.460 -6.661 -4.432 325 2HG2 VAL 41 HG22 VAL 41 -8.468 -8.111 -4.589 326 3HG2 VAL 41 HG21 VAL 41 -8.627 -7.317 -3.022 327 H GLY 42 HN GLY 42 -7.269 -4.978 -6.937 328 1HA GLY 42 HA2 GLY 42 -9.820 -3.775 -7.806 329 2HA GLY 42 HA1 GLY 42 -8.461 -4.186 -8.852 330 H ARG 43 HN ARG 43 -10.322 -5.119 -10.166 331 HA ARG 43 HA ARG 43 -11.492 -7.618 -9.156 332 1HB ARG 43 HB2 ARG 43 -11.738 -5.985 -11.662 333 2HB ARG 43 HB1 ARG 43 -12.253 -7.672 -11.687 334 1HG ARG 43 HG2 ARG 43 -13.682 -7.221 -9.686 335 2HG ARG 43 HG1 ARG 43 -13.240 -5.517 -9.797 336 1HD ARG 43 HD2 ARG 43 -15.391 -5.893 -10.912 337 2HD ARG 43 HD1 ARG 43 -14.166 -5.445 -12.100 338 HE ARG 43 HE ARG 43 -14.302 -8.311 -11.835 339 1HH1 ARG 43 HH21 ARG 43 -15.955 -5.559 -13.163 340 2HH1 ARG 43 HH22 ARG 43 -16.693 -6.468 -14.439 341 1HH2 ARG 43 HH11 ARG 43 -15.266 -9.481 -13.494 342 2HH2 ARG 43 HH12 ARG 43 -16.303 -8.677 -14.625 343 H ARG 44 HN ARG 44 -8.975 -6.615 -11.432 344 HA ARG 44 HA ARG 44 -8.462 -9.238 -12.508 345 1HB ARG 44 HB2 ARG 44 -6.566 -6.880 -12.267 346 2HB ARG 44 HB1 ARG 44 -6.381 -8.261 -13.350 347 1HG ARG 44 HG2 ARG 44 -8.473 -7.658 -14.498 348 2HG ARG 44 HG1 ARG 44 -8.685 -6.290 -13.406 349 1HD ARG 44 HD2 ARG 44 -7.659 -5.248 -15.216 350 2HD ARG 44 HD1 ARG 44 -6.257 -5.653 -14.226 351 HE ARG 44 HE ARG 44 -7.058 -7.012 -16.735 352 1HH1 ARG 44 HH11 ARG 44 -4.967 -6.795 -13.969 353 2HH1 ARG 44 HH12 ARG 44 -3.743 -7.803 -14.666 354 1HH2 ARG 44 HH21 ARG 44 -5.462 -8.319 -17.629 355 2HH2 ARG 44 HH22 ARG 44 -4.023 -8.662 -16.728 356 H THR 45 HN THR 45 -7.344 -7.505 -9.657 357 HA THR 45 HA THR 45 -5.280 -9.496 -9.033 358 HB THR 45 HB THR 45 -6.403 -7.397 -7.167 359 HG1 THR 45 HG1 THR 45 -4.193 -6.552 -8.283 360 1HG2 THR 45 HG21 THR 45 -4.820 -9.225 -6.360 361 2HG2 THR 45 HG23 THR 45 -3.599 -8.500 -7.407 362 3HG2 THR 45 HG22 THR 45 -4.285 -7.568 -6.076 363 H TYR 46 HN TYR 46 -8.637 -8.900 -8.249 364 HA TYR 46 HA TYR 46 -8.815 -10.541 -5.903 365 1HB TYR 46 HB2 TYR 46 -10.559 -8.891 -6.776 366 2HB TYR 46 HB1 TYR 46 -11.018 -10.137 -7.938 367 HD1 TYR 46 HD1 TYR 46 -10.363 -9.738 -4.262 368 HD2 TYR 46 HD2 TYR 46 -12.667 -11.668 -7.330 369 HE1 TYR 46 HE1 TYR 46 -11.742 -10.850 -2.526 370 HE2 TYR 46 HE2 TYR 46 -14.047 -12.779 -5.594 371 HH TYR 46 HH TYR 46 -13.964 -11.853 -2.311 372 H GLU 47 HN GLU 47 -9.013 -11.256 -9.361 373 HA GLU 47 HA GLU 47 -9.712 -14.069 -8.878 374 1HB GLU 47 HB2 GLU 47 -8.947 -12.582 -11.409 375 2HB GLU 47 HB1 GLU 47 -9.476 -14.263 -11.357 376 1HG GLU 47 HG2 GLU 47 -11.565 -13.384 -10.131 377 2HG GLU 47 HG1 GLU 47 -11.061 -11.785 -10.678 378 H SER 48 HN SER 48 -6.849 -12.143 -9.382 379 HA SER 48 HA SER 48 -5.077 -14.257 -10.199 380 1HB SER 48 HB2 SER 48 -4.413 -11.718 -8.681 381 2HB SER 48 HB1 SER 48 -3.278 -12.719 -9.581 382 HG SER 48 HG SER 48 -3.953 -11.837 -11.366 383 H PHE 49 HN PHE 49 -6.573 -13.547 -7.198 384 HA PHE 49 HA PHE 49 -4.600 -14.475 -5.357 385 1HB PHE 49 HB2 PHE 49 -7.615 -14.371 -5.295 386 2HB PHE 49 HB1 PHE 49 -6.703 -15.082 -3.962 387 HD1 PHE 49 HD2 PHE 49 -4.437 -13.525 -3.471 388 HD2 PHE 49 HD1 PHE 49 -8.261 -12.176 -4.884 389 HE1 PHE 49 HE2 PHE 49 -3.967 -11.260 -2.578 390 HE2 PHE 49 HE1 PHE 49 -7.792 -9.910 -3.991 391 HZ PHE 49 HZ PHE 49 -5.644 -9.452 -2.839 392 HA PRO 50 HA PRO 50 -4.665 -18.885 -5.938 393 1HB PRO 50 HB2 PRO 50 -4.167 -19.647 -3.290 394 2HB PRO 50 HB1 PRO 50 -2.945 -19.208 -4.491 395 1HG PRO 50 HG2 PRO 50 -3.699 -17.777 -2.129 396 2HG PRO 50 HG1 PRO 50 -2.458 -17.358 -3.318 397 1HD PRO 50 HD2 PRO 50 -5.139 -16.244 -2.989 398 2HD PRO 50 HD1 PRO 50 -3.781 -15.628 -3.944 399 H LYS 51 HN LYS 51 -5.980 -18.531 -2.632 400 HA LYS 51 HA LYS 51 -8.393 -20.047 -3.550 401 1HB LYS 51 HB2 LYS 51 -8.515 -20.884 -1.177 402 2HB LYS 51 HB1 LYS 51 -7.090 -21.438 -2.055 403 1HG LYS 51 HG2 LYS 51 -5.653 -20.217 -0.764 404 2HG LYS 51 HG1 LYS 51 -6.779 -18.869 -0.604 405 1HD LYS 51 HD2 LYS 51 -7.940 -19.883 1.168 406 2HD LYS 51 HD1 LYS 51 -7.346 -21.493 0.760 407 1HE LYS 51 HE2 LYS 51 -5.637 -19.223 1.822 408 2HE LYS 51 HE1 LYS 51 -6.222 -20.585 2.777 409 1HZ LYS 51 HZ2 LYS 51 -4.521 -20.825 0.354 410 2HZ LYS 51 HZ1 LYS 51 -3.944 -20.900 1.950 411 3HZ LYS 51 HZ3 LYS 51 -5.009 -22.090 1.378 412 H ARG 52 HN ARG 52 -9.161 -17.766 -4.016 413 HA ARG 52 HA ARG 52 -9.671 -15.961 -1.805 414 1HB ARG 52 HB2 ARG 52 -11.148 -14.794 -3.466 415 2HB ARG 52 HB1 ARG 52 -9.513 -15.075 -4.065 416 1HG ARG 52 HG2 ARG 52 -10.216 -16.930 -5.397 417 2HG ARG 52 HG1 ARG 52 -11.792 -16.989 -4.604 418 1HD ARG 52 HD2 ARG 52 -12.496 -14.954 -5.630 419 2HD ARG 52 HD1 ARG 52 -10.858 -14.570 -6.159 420 HE ARG 52 HE ARG 52 -11.160 -16.019 -8.004 421 1HH1 ARG 52 HH11 ARG 52 -13.634 -16.492 -5.611 422 2HH1 ARG 52 HH12 ARG 52 -14.577 -17.537 -6.620 423 1HH2 ARG 52 HH21 ARG 52 -12.393 -17.375 -9.304 424 2HH2 ARG 52 HH22 ARG 52 -13.877 -18.034 -8.701 425 HA PRO 53 HA PRO 53 -11.348 -14.348 -1.533 426 1HB PRO 53 HB2 PRO 53 -12.873 -13.837 0.757 427 2HB PRO 53 HB1 PRO 53 -13.360 -13.498 -0.910 428 1HG PRO 53 HG2 PRO 53 -14.448 -15.440 0.889 429 2HG PRO 53 HG1 PRO 53 -14.946 -15.080 -0.770 430 1HD PRO 53 HD2 PRO 53 -13.340 -17.313 0.226 431 2HD PRO 53 HD1 PRO 53 -14.130 -17.115 -1.346 432 H LEU 54 HN LEU 54 -10.437 -13.114 0.459 433 HA LEU 54 HA LEU 54 -8.757 -15.019 1.996 434 1HB LEU 54 HB2 LEU 54 -8.531 -12.010 1.698 435 2HB LEU 54 HB1 LEU 54 -7.352 -13.064 2.480 436 HG LEU 54 HG LEU 54 -8.208 -13.453 -0.394 437 1HD1 LEU 54 HD12 LEU 54 -6.221 -11.573 0.812 438 2HD1 LEU 54 HD11 LEU 54 -5.772 -12.401 -0.678 439 3HD1 LEU 54 HD13 LEU 54 -7.211 -11.381 -0.634 440 1HD2 LEU 54 HD22 LEU 54 -5.849 -14.375 1.277 441 2HD2 LEU 54 HD21 LEU 54 -7.150 -15.383 0.644 442 3HD2 LEU 54 HD23 LEU 54 -5.993 -14.640 -0.460 443 HA PRO 55 HA PRO 55 -11.589 -14.009 5.426 444 1HB PRO 55 HB2 PRO 55 -10.609 -16.135 6.992 445 2HB PRO 55 HB1 PRO 55 -12.050 -16.160 5.967 446 1HG PRO 55 HG2 PRO 55 -9.598 -17.569 5.586 447 2HG PRO 55 HG1 PRO 55 -11.035 -17.579 4.556 448 1HD PRO 55 HD2 PRO 55 -8.495 -16.195 4.153 449 2HD PRO 55 HD1 PRO 55 -9.812 -16.477 3.003 450 H GLU 56 HN GLU 56 -11.061 -13.940 7.949 451 HA GLU 56 HA GLU 56 -9.818 -12.915 9.650 452 1HB GLU 56 HB2 GLU 56 -7.403 -13.757 8.021 453 2HB GLU 56 HB1 GLU 56 -7.441 -13.378 9.743 454 1HG GLU 56 HG2 GLU 56 -9.146 -15.274 9.974 455 2HG GLU 56 HG1 GLU 56 -8.694 -15.740 8.334 456 H ARG 57 HN ARG 57 -10.632 -11.416 7.218 457 HA ARG 57 HA ARG 57 -9.352 -8.928 7.791 458 1HB ARG 57 HB2 ARG 57 -8.116 -8.627 5.642 459 2HB ARG 57 HB1 ARG 57 -7.413 -9.886 6.657 460 1HG ARG 57 HG2 ARG 57 -8.971 -11.497 5.317 461 2HG ARG 57 HG1 ARG 57 -9.042 -10.182 4.144 462 1HD ARG 57 HD2 ARG 57 -7.178 -11.267 3.335 463 2HD ARG 57 HD1 ARG 57 -6.390 -10.226 4.522 464 HE ARG 57 HE ARG 57 -6.911 -13.134 4.849 465 1HH1 ARG 57 HH21 ARG 57 -5.634 -10.132 6.043 466 2HH1 ARG 57 HH22 ARG 57 -4.685 -10.889 7.279 467 1HH2 ARG 57 HH11 ARG 57 -5.675 -14.105 6.456 468 2HH2 ARG 57 HH12 ARG 57 -4.710 -13.128 7.510 469 H THR 58 HN THR 58 -9.846 -7.340 5.797 470 HA THR 58 HA THR 58 -12.655 -7.945 4.984 471 HB THR 58 HB THR 58 -11.308 -5.237 4.943 472 HG1 THR 58 HG1 THR 58 -12.860 -5.316 6.985 473 1HG2 THR 58 HG23 THR 58 -13.519 -5.780 3.717 474 2HG2 THR 58 HG22 THR 58 -14.225 -5.894 5.328 475 3HG2 THR 58 HG21 THR 58 -13.501 -4.379 4.788 476 H ASN 59 HN ASN 59 -12.899 -8.530 2.892 477 HA ASN 59 HA ASN 59 -10.781 -7.825 0.934 478 1HB ASN 59 HB2 ASN 59 -13.033 -9.830 0.973 479 2HB ASN 59 HB1 ASN 59 -12.229 -9.405 -0.538 480 1HD2 ASN 59 HD22 ASN 59 -9.756 -11.013 2.333 481 2HD2 ASN 59 HD21 ASN 59 -10.884 -9.828 2.783 482 H VAL 60 HN VAL 60 -11.109 -5.897 -0.062 483 HA VAL 60 HA VAL 60 -13.913 -5.145 -0.786 484 HB VAL 60 HB VAL 60 -11.508 -3.321 -0.489 485 1HG1 VAL 60 HG11 VAL 60 -14.457 -2.896 -0.990 486 2HG1 VAL 60 HG13 VAL 60 -13.435 -1.617 -0.334 487 3HG1 VAL 60 HG12 VAL 60 -13.091 -2.291 -1.927 488 1HG2 VAL 60 HG23 VAL 60 -13.802 -3.902 1.413 489 2HG2 VAL 60 HG22 VAL 60 -12.104 -4.299 1.679 490 3HG2 VAL 60 HG21 VAL 60 -12.619 -2.612 1.628 491 H VAL 61 HN VAL 61 -14.350 -4.647 -2.932 492 HA VAL 61 HA VAL 61 -12.061 -4.860 -4.848 493 HB VAL 61 HB VAL 61 -14.886 -5.864 -5.309 494 1HG1 VAL 61 HG13 VAL 61 -12.304 -6.139 -6.877 495 2HG1 VAL 61 HG12 VAL 61 -13.809 -6.973 -7.267 496 3HG1 VAL 61 HG11 VAL 61 -13.726 -5.214 -7.358 497 1HG2 VAL 61 HG22 VAL 61 -12.338 -7.302 -4.516 498 2HG2 VAL 61 HG21 VAL 61 -13.873 -7.286 -3.649 499 3HG2 VAL 61 HG23 VAL 61 -13.742 -8.129 -5.192 500 H LEU 62 HN LEU 62 -11.858 -3.065 -6.083 501 HA LEU 62 HA LEU 62 -14.134 -1.149 -6.186 502 1HB LEU 62 HB2 LEU 62 -11.811 -0.416 -5.441 503 2HB LEU 62 HB1 LEU 62 -11.287 -0.684 -7.104 504 HG LEU 62 HG LEU 62 -13.330 0.827 -7.723 505 1HD1 LEU 62 HD12 LEU 62 -12.905 1.381 -4.784 506 2HD1 LEU 62 HD11 LEU 62 -13.606 2.586 -5.864 507 3HD1 LEU 62 HD13 LEU 62 -14.419 1.039 -5.623 508 1HD2 LEU 62 HD21 LEU 62 -10.784 1.849 -6.431 509 2HD2 LEU 62 HD23 LEU 62 -11.050 1.522 -8.144 510 3HD2 LEU 62 HD22 LEU 62 -11.883 2.867 -7.362 511 H THR 63 HN THR 63 -15.429 -1.525 -7.924 512 HA THR 63 HA THR 63 -14.134 -1.754 -10.595 513 HB THR 63 HB THR 63 -14.683 -4.046 -9.994 514 HG1 THR 63 HG1 THR 63 -16.437 -2.762 -11.791 515 1HG2 THR 63 HG22 THR 63 -17.444 -2.944 -9.405 516 2HG2 THR 63 HG21 THR 63 -17.028 -4.658 -9.428 517 3HG2 THR 63 HG23 THR 63 -16.305 -3.591 -8.225 518 H HIS 64 HN HIS 64 -15.287 -0.704 -12.224 519 HA HIS 64 HA HIS 64 -17.531 0.999 -11.302 520 1HB HIS 64 HB2 HIS 64 -17.194 2.144 -13.510 521 2HB HIS 64 HB1 HIS 64 -15.752 2.147 -12.495 522 HD1 HIS 64 HD1 HIS 64 -17.024 1.010 -15.763 523 HD2 HIS 64 HD2 HIS 64 -13.765 0.142 -13.312 524 HE1 HIS 64 HE1 HIS 64 -15.359 -0.242 -17.202 525 H GLN 65 HN GLN 65 -17.908 -1.889 -11.769 526 HA GLN 65 HA GLN 65 -20.003 -1.686 -13.892 527 1HB GLN 65 HB2 GLN 65 -18.087 -3.982 -13.390 528 2HB GLN 65 HB1 GLN 65 -19.499 -4.089 -14.442 529 1HG GLN 65 HG2 GLN 65 -18.593 -2.152 -15.754 530 2HG GLN 65 HG1 GLN 65 -17.131 -2.227 -14.771 531 1HE2 GLN 65 HE22 GLN 65 -15.841 -5.091 -16.418 532 2HE2 GLN 65 HE21 GLN 65 -15.672 -4.032 -15.103 533 H GLU 66 HN GLU 66 -21.985 -2.273 -13.149 534 HA GLU 66 HA GLU 66 -22.202 -3.395 -10.426 535 1HB GLU 66 HB2 GLU 66 -23.629 -1.462 -11.391 536 2HB GLU 66 HB1 GLU 66 -24.509 -2.725 -12.253 537 1HG GLU 66 HG2 GLU 66 -25.224 -3.757 -10.243 538 2HG GLU 66 HG1 GLU 66 -24.037 -2.881 -9.276 539 H ASP 67 HN ASP 67 -21.218 -5.059 -12.687 540 HA ASP 67 HA ASP 67 -23.420 -7.075 -12.835 541 1HB ASP 67 HB2 ASP 67 -20.965 -6.689 -14.573 542 2HB ASP 67 HB1 ASP 67 -22.102 -8.026 -14.741 543 H TYR 68 HN TYR 68 -20.050 -6.549 -11.943 544 HA TYR 68 HA TYR 68 -19.433 -9.314 -11.388 545 1HB TYR 68 HB2 TYR 68 -17.805 -7.326 -11.708 546 2HB TYR 68 HB1 TYR 68 -18.136 -6.960 -10.015 547 HD1 TYR 68 HD2 TYR 68 -17.325 -9.936 -12.163 548 HD2 TYR 68 HD1 TYR 68 -16.736 -7.913 -8.419 549 HE1 TYR 68 HE2 TYR 68 -15.717 -11.691 -11.466 550 HE2 TYR 68 HE1 TYR 68 -15.128 -9.668 -7.723 551 HH TYR 68 HH TYR 68 -14.273 -11.676 -8.219 552 H GLN 69 HN GLN 69 -19.307 -10.332 -9.303 553 HA GLN 69 HA GLN 69 -20.528 -8.963 -6.994 554 1HB GLN 69 HB2 GLN 69 -21.820 -11.249 -8.473 555 2HB GLN 69 HB1 GLN 69 -22.087 -11.039 -6.742 556 1HG GLN 69 HG2 GLN 69 -22.745 -8.639 -7.242 557 2HG GLN 69 HG1 GLN 69 -22.720 -9.070 -8.952 558 1HE2 GLN 69 HE22 GLN 69 -25.581 -11.288 -8.633 559 2HE2 GLN 69 HE21 GLN 69 -24.088 -11.183 -9.434 560 H ALA 70 HN ALA 70 -18.959 -9.395 -5.514 561 HA ALA 70 HA ALA 70 -17.650 -12.065 -5.525 562 1HB ALA 70 HB3 ALA 70 -16.987 -9.490 -4.066 563 2HB ALA 70 HB2 ALA 70 -16.078 -10.991 -3.891 564 3HB ALA 70 HB1 ALA 70 -16.129 -10.168 -5.450 565 H GLN 71 HN GLN 71 -18.297 -13.578 -4.082 566 HA GLN 71 HA GLN 71 -20.286 -12.910 -2.041 567 1HB GLN 71 HB2 GLN 71 -18.898 -15.488 -2.817 568 2HB GLN 71 HB1 GLN 71 -20.079 -15.385 -1.509 569 1HG GLN 71 HG2 GLN 71 -20.737 -14.327 -4.252 570 2HG GLN 71 HG1 GLN 71 -20.925 -16.041 -3.882 571 1HE2 GLN 71 HE22 GLN 71 -23.357 -15.165 -1.187 572 2HE2 GLN 71 HE21 GLN 71 -21.866 -15.973 -1.244 573 H GLY 72 HN GLY 72 -19.883 -12.580 0.105 574 1HA GLY 72 HA2 GLY 72 -18.707 -12.462 2.138 575 2HA GLY 72 HA1 GLY 72 -17.577 -13.648 1.484 576 H ALA 73 HN ALA 73 -18.366 -10.500 0.062 577 HA ALA 73 HA ALA 73 -15.858 -9.294 0.987 578 1HB ALA 73 HB3 ALA 73 -16.268 -9.999 -1.935 579 2HB ALA 73 HB2 ALA 73 -14.993 -8.942 -1.329 580 3HB ALA 73 HB1 ALA 73 -15.020 -10.645 -0.870 581 H VAL 74 HN VAL 74 -16.124 -7.103 1.078 582 HA VAL 74 HA VAL 74 -18.672 -5.943 0.309 583 HB VAL 74 HB VAL 74 -16.140 -4.523 1.187 584 1HG1 VAL 74 HG12 VAL 74 -17.880 -3.070 0.209 585 2HG1 VAL 74 HG11 VAL 74 -19.072 -3.748 1.319 586 3HG1 VAL 74 HG13 VAL 74 -17.729 -2.789 1.944 587 1HG2 VAL 74 HG22 VAL 74 -18.319 -5.940 2.715 588 2HG2 VAL 74 HG21 VAL 74 -16.573 -6.041 2.938 589 3HG2 VAL 74 HG23 VAL 74 -17.444 -4.594 3.443 590 H VAL 75 HN VAL 75 -18.953 -5.911 -1.914 591 HA VAL 75 HA VAL 75 -16.807 -5.082 -3.718 592 HB VAL 75 HB VAL 75 -19.762 -5.423 -4.305 593 1HG1 VAL 75 HG13 VAL 75 -18.256 -4.189 -5.961 594 2HG1 VAL 75 HG12 VAL 75 -17.388 -5.712 -6.158 595 3HG1 VAL 75 HG11 VAL 75 -19.094 -5.607 -6.594 596 1HG2 VAL 75 HG22 VAL 75 -17.472 -7.413 -4.397 597 2HG2 VAL 75 HG21 VAL 75 -18.879 -7.481 -3.334 598 3HG2 VAL 75 HG23 VAL 75 -19.074 -7.705 -5.073 599 H VAL 76 HN VAL 76 -16.234 -2.946 -3.441 600 HA VAL 76 HA VAL 76 -18.333 -0.890 -3.121 601 HB VAL 76 HB VAL 76 -16.373 0.664 -2.929 602 1HG1 VAL 76 HG13 VAL 76 -16.317 -1.817 -1.182 603 2HG1 VAL 76 HG12 VAL 76 -15.556 -0.278 -0.775 604 3HG1 VAL 76 HG11 VAL 76 -17.310 -0.382 -0.922 605 1HG2 VAL 76 HG23 VAL 76 -14.835 -1.930 -3.278 606 2HG2 VAL 76 HG22 VAL 76 -14.793 -0.533 -4.354 607 3HG2 VAL 76 HG21 VAL 76 -14.120 -0.414 -2.728 608 H HIS 77 HN HIS 77 -18.357 1.002 -4.580 609 HA HIS 77 HA HIS 77 -17.212 0.496 -7.282 610 1HB HIS 77 HB2 HIS 77 -20.113 1.190 -6.721 611 2HB HIS 77 HB1 HIS 77 -19.378 1.103 -8.321 612 HD1 HIS 77 HD1 HIS 77 -19.204 -1.175 -9.391 613 HD2 HIS 77 HD2 HIS 77 -20.146 -1.409 -5.336 614 HE1 HIS 77 HE1 HIS 77 -19.720 -3.608 -8.914 615 H ASP 78 HN ASP 78 -16.588 2.373 -5.066 616 HA ASP 78 HA ASP 78 -16.417 4.802 -6.660 617 1HB ASP 78 HB2 ASP 78 -18.785 4.732 -5.542 618 2HB ASP 78 HB1 ASP 78 -17.904 5.132 -4.066 619 H VAL 79 HN VAL 79 -14.806 6.179 -5.846 620 HA VAL 79 HA VAL 79 -12.916 5.019 -4.005 621 HB VAL 79 HB VAL 79 -13.090 7.902 -4.929 622 1HG1 VAL 79 HG13 VAL 79 -11.541 7.346 -3.017 623 2HG1 VAL 79 HG12 VAL 79 -10.698 6.235 -4.097 624 3HG1 VAL 79 HG11 VAL 79 -10.719 7.963 -4.450 625 1HG2 VAL 79 HG23 VAL 79 -11.729 5.501 -6.196 626 2HG2 VAL 79 HG22 VAL 79 -13.116 6.370 -6.852 627 3HG2 VAL 79 HG21 VAL 79 -11.548 7.171 -6.736 628 H ALA 80 HN ALA 80 -15.491 7.411 -3.688 629 HA ALA 80 HA ALA 80 -14.756 8.310 -1.043 630 1HB ALA 80 HB3 ALA 80 -17.419 8.349 -2.495 631 2HB ALA 80 HB2 ALA 80 -17.098 9.182 -0.974 632 3HB ALA 80 HB1 ALA 80 -16.237 9.657 -2.438 633 H ALA 81 HN ALA 81 -16.696 5.649 -2.290 634 HA ALA 81 HA ALA 81 -17.951 4.933 0.199 635 1HB ALA 81 HB3 ALA 81 -17.279 3.215 -2.210 636 2HB ALA 81 HB2 ALA 81 -18.373 2.754 -0.905 637 3HB ALA 81 HB1 ALA 81 -18.782 4.104 -1.963 638 H VAL 82 HN VAL 82 -14.878 4.058 -1.323 639 HA VAL 82 HA VAL 82 -14.176 1.994 0.563 640 HB VAL 82 HB VAL 82 -12.313 3.748 -1.066 641 1HG1 VAL 82 HG13 VAL 82 -11.259 2.373 0.722 642 2HG1 VAL 82 HG12 VAL 82 -11.999 0.933 0.021 643 3HG1 VAL 82 HG11 VAL 82 -10.791 1.836 -0.892 644 1HG2 VAL 82 HG21 VAL 82 -14.033 1.389 -1.771 645 2HG2 VAL 82 HG23 VAL 82 -13.686 2.837 -2.716 646 3HG2 VAL 82 HG22 VAL 82 -12.466 1.573 -2.559 647 H PHE 83 HN PHE 83 -13.693 5.494 0.463 648 HA PHE 83 HA PHE 83 -11.940 5.565 2.781 649 1HB PHE 83 HB2 PHE 83 -13.465 7.630 1.203 650 2HB PHE 83 HB1 PHE 83 -12.684 8.066 2.724 651 HD1 PHE 83 HD2 PHE 83 -10.197 6.901 2.917 652 HD2 PHE 83 HD1 PHE 83 -12.203 8.061 -0.700 653 HE1 PHE 83 HE2 PHE 83 -8.012 7.056 1.754 654 HE2 PHE 83 HE1 PHE 83 -10.017 8.215 -1.863 655 HZ PHE 83 HZ PHE 83 -7.923 7.712 -0.636 656 H ALA 84 HN ALA 84 -15.417 5.792 2.238 657 HA ALA 84 HA ALA 84 -16.107 6.711 4.881 658 1HB ALA 84 HB3 ALA 84 -17.747 5.108 2.894 659 2HB ALA 84 HB2 ALA 84 -18.387 5.947 4.306 660 3HB ALA 84 HB1 ALA 84 -17.674 6.868 2.981 661 H TYR 85 HN TYR 85 -15.484 3.546 3.479 662 HA TYR 85 HA TYR 85 -16.543 2.015 5.696 663 1HB TYR 85 HB2 TYR 85 -16.094 1.146 3.347 664 2HB TYR 85 HB1 TYR 85 -14.380 1.147 3.762 665 HD1 TYR 85 HD2 TYR 85 -13.559 -0.258 5.676 666 HD2 TYR 85 HD1 TYR 85 -17.572 -0.544 4.171 667 HE1 TYR 85 HE2 TYR 85 -13.832 -2.444 6.818 668 HE2 TYR 85 HE1 TYR 85 -17.844 -2.729 5.313 669 HH TYR 85 HH TYR 85 -16.630 -3.824 7.495 670 H ALA 86 HN ALA 86 -13.360 3.336 4.878 671 HA ALA 86 HA ALA 86 -12.005 2.064 7.115 672 1HB ALA 86 HB2 ALA 86 -11.269 4.324 5.244 673 2HB ALA 86 HB1 ALA 86 -10.212 3.805 6.556 674 3HB ALA 86 HB3 ALA 86 -10.629 2.680 5.263 675 H LYS 87 HN LYS 87 -13.814 5.012 6.638 676 HA LYS 87 HA LYS 87 -12.818 6.423 8.956 677 1HB LYS 87 HB2 LYS 87 -15.279 6.678 7.230 678 2HB LYS 87 HB1 LYS 87 -15.082 7.661 8.682 679 1HG LYS 87 HG2 LYS 87 -13.091 8.675 7.845 680 2HG LYS 87 HG1 LYS 87 -12.952 7.494 6.542 681 1HD LYS 87 HD2 LYS 87 -13.866 9.338 5.428 682 2HD LYS 87 HD1 LYS 87 -15.306 8.399 5.828 683 1HE LYS 87 HE2 LYS 87 -15.802 10.641 6.479 684 2HE LYS 87 HE1 LYS 87 -15.439 9.781 7.975 685 1HZ LYS 87 HZ2 LYS 87 -13.034 10.732 6.943 686 2HZ LYS 87 HZ1 LYS 87 -14.140 12.021 6.888 687 3HZ LYS 87 HZ3 LYS 87 -13.833 11.231 8.357 688 H GLN 88 HN GLN 88 -15.529 4.206 8.387 689 HA GLN 88 HA GLN 88 -16.706 4.491 10.999 690 1HB GLN 88 HB2 GLN 88 -17.492 3.273 8.702 691 2HB GLN 88 HB1 GLN 88 -16.951 1.870 9.625 692 1HG GLN 88 HG2 GLN 88 -18.418 2.466 11.478 693 2HG GLN 88 HG1 GLN 88 -18.893 3.957 10.660 694 1HE2 GLN 88 HE22 GLN 88 -21.332 2.373 8.671 695 2HE2 GLN 88 HE21 GLN 88 -20.608 3.828 9.161 696 H HIS 89 HN HIS 89 -13.986 2.697 9.774 697 HA HIS 89 HA HIS 89 -13.725 1.323 12.421 698 1HB HIS 89 HB2 HIS 89 -12.483 0.516 9.774 699 2HB HIS 89 HB1 HIS 89 -12.422 -0.392 11.284 700 HD1 HIS 89 HD1 HIS 89 -13.686 -1.699 8.807 701 HD2 HIS 89 HD2 HIS 89 -15.874 0.459 11.622 702 HE1 HIS 89 HE1 HIS 89 -16.082 -2.494 8.614 703 HA PRO 90 HA PRO 90 -10.256 4.348 12.384 704 1HB PRO 90 HB2 PRO 90 -10.373 4.629 15.182 705 2HB PRO 90 HB1 PRO 90 -11.073 5.727 13.987 706 1HG PRO 90 HG2 PRO 90 -12.440 4.011 15.816 707 2HG PRO 90 HG1 PRO 90 -13.135 5.113 14.620 708 1HD PRO 90 HD2 PRO 90 -12.881 2.209 14.509 709 2HD PRO 90 HD1 PRO 90 -13.833 3.289 13.478 710 H ASP 91 HN ASP 91 -10.834 1.368 14.051 711 HA ASP 91 HA ASP 91 -8.137 1.158 15.182 712 1HB ASP 91 HB2 ASP 91 -8.853 -1.190 15.701 713 2HB ASP 91 HB1 ASP 91 -9.960 0.030 16.332 714 H GLN 92 HN GLN 92 -9.753 0.320 12.210 715 HA GLN 92 HA GLN 92 -7.522 -1.437 11.359 716 1HB GLN 92 HB2 GLN 92 -10.079 -0.639 9.933 717 2HB GLN 92 HB1 GLN 92 -8.910 -1.823 9.348 718 1HG GLN 92 HG2 GLN 92 -9.266 -3.080 11.532 719 2HG GLN 92 HG1 GLN 92 -10.628 -2.001 11.832 720 1HE2 GLN 92 HE22 GLN 92 -11.127 -5.122 9.354 721 2HE2 GLN 92 HE21 GLN 92 -9.750 -4.929 10.326 722 H GLU 93 HN GLU 93 -6.992 -0.965 8.849 723 HA GLU 93 HA GLU 93 -6.681 1.958 8.410 724 1HB GLU 93 HB2 GLU 93 -4.425 -0.061 8.504 725 2HB GLU 93 HB1 GLU 93 -4.264 1.535 7.771 726 1HG GLU 93 HG2 GLU 93 -5.182 2.423 10.037 727 2HG GLU 93 HG1 GLU 93 -4.737 0.833 10.662 728 H LEU 94 HN LEU 94 -6.473 2.507 6.195 729 HA LEU 94 HA LEU 94 -7.516 0.500 4.336 730 1HB LEU 94 HB2 LEU 94 -7.934 3.121 4.448 731 2HB LEU 94 HB1 LEU 94 -6.499 3.166 3.423 732 HG LEU 94 HG LEU 94 -8.886 1.401 2.835 733 1HD1 LEU 94 HD13 LEU 94 -8.228 4.194 1.856 734 2HD1 LEU 94 HD12 LEU 94 -9.414 3.139 1.088 735 3HD1 LEU 94 HD11 LEU 94 -9.667 3.691 2.743 736 1HD2 LEU 94 HD22 LEU 94 -6.332 2.158 1.441 737 2HD2 LEU 94 HD21 LEU 94 -7.069 0.567 1.623 738 3HD2 LEU 94 HD23 LEU 94 -7.750 1.728 0.483 739 H VAL 95 HN VAL 95 -6.240 -0.837 3.166 740 HA VAL 95 HA VAL 95 -3.456 0.054 2.534 741 HB VAL 95 HB VAL 95 -4.296 -2.776 3.227 742 1HG1 VAL 95 HG11 VAL 95 -1.653 -1.437 2.615 743 2HG1 VAL 95 HG13 VAL 95 -1.756 -3.000 3.423 744 3HG1 VAL 95 HG12 VAL 95 -2.388 -2.811 1.788 745 1HG2 VAL 95 HG21 VAL 95 -2.796 -0.713 4.875 746 2HG2 VAL 95 HG23 VAL 95 -4.429 -1.298 5.198 747 3HG2 VAL 95 HG22 VAL 95 -3.055 -2.395 5.336 748 H ILE 96 HN ILE 96 -2.993 -0.060 0.388 749 HA ILE 96 HA ILE 96 -4.940 -1.465 -1.379 750 HB ILE 96 HB ILE 96 -2.803 0.547 -2.135 751 1HG1 ILE 96 HG12 ILE 96 -4.450 1.558 -0.595 752 2HG1 ILE 96 HG11 ILE 96 -4.644 2.194 -2.226 753 1HG2 ILE 96 HG22 ILE 96 -5.242 -0.495 -3.607 754 2HG2 ILE 96 HG21 ILE 96 -4.141 0.746 -4.204 755 3HG2 ILE 96 HG23 ILE 96 -3.566 -0.904 -3.970 756 1HD1 ILE 96 HD12 ILE 96 -6.470 0.506 -2.601 757 2HD1 ILE 96 HD11 ILE 96 -6.335 0.053 -0.901 758 3HD1 ILE 96 HD13 ILE 96 -6.846 1.683 -1.343 759 H ALA 97 HN ALA 97 -4.306 -3.281 -2.445 760 HA ALA 97 HA ALA 97 -1.410 -4.012 -2.331 761 1HB ALA 97 HB1 ALA 97 -3.953 -5.590 -2.239 762 2HB ALA 97 HB3 ALA 97 -2.529 -6.344 -2.957 763 3HB ALA 97 HB2 ALA 97 -2.480 -5.781 -1.285 764 H GLY 98 HN GLY 98 -4.101 -3.384 -4.447 765 1HA GLY 98 HA2 GLY 98 -2.645 -2.895 -6.761 766 2HA GLY 98 HA1 GLY 98 -2.962 -4.631 -6.810 767 H GLY 99 HN GLY 99 -5.853 -3.201 -8.581 768 1HA GLY 99 HA2 GLY 99 -3.155 -4.328 -8.866 769 2HA GLY 99 HA1 GLY 99 -4.255 -3.916 -10.182 770 H ALA 100 HN ALA 100 -2.480 -2.833 -11.266 771 HA ALA 100 HA ALA 100 -1.034 -0.648 -10.064 772 1HB ALA 100 HB1 ALA 100 -1.525 -1.477 -12.932 773 2HB ALA 100 HB3 ALA 100 -0.556 -0.065 -12.513 774 3HB ALA 100 HB2 ALA 100 -0.050 -1.669 -11.984 775 H GLN 101 HN GLN 101 -4.057 -0.883 -11.870 776 HA GLN 101 HA GLN 101 -4.385 1.977 -12.225 777 1HB GLN 101 HB2 GLN 101 -6.420 -0.275 -12.285 778 2HB GLN 101 HB1 GLN 101 -6.725 1.380 -12.814 779 1HG GLN 101 HG2 GLN 101 -4.414 -0.173 -13.958 780 2HG GLN 101 HG1 GLN 101 -6.041 -0.395 -14.601 781 1HE2 GLN 101 HE22 GLN 101 -3.966 2.736 -15.877 782 2HE2 GLN 101 HE21 GLN 101 -3.289 1.348 -15.175 783 H ILE 102 HN ILE 102 -5.060 -0.286 -9.659 784 HA ILE 102 HA ILE 102 -6.969 1.397 -8.254 785 HB ILE 102 HB ILE 102 -5.237 -0.830 -7.145 786 1HG1 ILE 102 HG12 ILE 102 -6.520 -1.599 -9.112 787 2HG1 ILE 102 HG11 ILE 102 -7.158 -2.308 -7.630 788 1HG2 ILE 102 HG22 ILE 102 -7.875 0.358 -6.234 789 2HG2 ILE 102 HG21 ILE 102 -7.074 -1.027 -5.493 790 3HG2 ILE 102 HG23 ILE 102 -6.315 0.564 -5.437 791 1HD1 ILE 102 HD13 ILE 102 -8.921 -0.553 -7.576 792 2HD1 ILE 102 HD12 ILE 102 -8.302 0.092 -9.096 793 3HD1 ILE 102 HD11 ILE 102 -9.003 -1.525 -9.046 794 H PHE 103 HN PHE 103 -3.464 0.913 -8.142 795 HA PHE 103 HA PHE 103 -2.955 2.434 -5.770 796 1HB PHE 103 HB2 PHE 103 -1.270 1.807 -8.204 797 2HB PHE 103 HB1 PHE 103 -0.648 2.738 -6.841 798 HD1 PHE 103 HD2 PHE 103 -1.603 1.544 -4.466 799 HD2 PHE 103 HD1 PHE 103 -0.535 -0.399 -8.146 800 HE1 PHE 103 HE2 PHE 103 -1.162 -0.559 -3.228 801 HE2 PHE 103 HE1 PHE 103 -0.094 -2.502 -6.907 802 HZ PHE 103 HZ PHE 103 -0.408 -2.582 -4.448 803 H THR 104 HN THR 104 -2.866 3.387 -9.217 804 HA THR 104 HA THR 104 -2.284 6.145 -8.750 805 HB THR 104 HB THR 104 -2.015 5.175 -10.966 806 HG1 THR 104 HG1 THR 104 -3.607 6.690 -12.071 807 1HG2 THR 104 HG23 THR 104 -3.855 3.527 -10.791 808 2HG2 THR 104 HG22 THR 104 -5.027 4.836 -10.936 809 3HG2 THR 104 HG21 THR 104 -3.956 4.458 -12.286 810 H ALA 105 HN ALA 105 -5.317 4.341 -8.850 811 HA ALA 105 HA ALA 105 -7.085 6.599 -8.876 812 1HB ALA 105 HB2 ALA 105 -7.423 3.768 -7.858 813 2HB ALA 105 HB1 ALA 105 -8.736 4.945 -7.878 814 3HB ALA 105 HB3 ALA 105 -7.988 4.433 -9.391 815 H PHE 106 HN PHE 106 -5.398 4.903 -6.281 816 HA PHE 106 HA PHE 106 -6.674 6.726 -4.291 817 1HB PHE 106 HB2 PHE 106 -5.283 4.060 -4.064 818 2HB PHE 106 HB1 PHE 106 -5.492 5.098 -2.654 819 HD1 PHE 106 HD1 PHE 106 -7.889 5.983 -2.183 820 HD2 PHE 106 HD2 PHE 106 -7.032 2.654 -4.760 821 HE1 PHE 106 HE1 PHE 106 -10.231 5.200 -1.951 822 HE2 PHE 106 HE2 PHE 106 -9.374 1.872 -4.527 823 HZ PHE 106 HZ PHE 106 -10.973 3.145 -3.123 824 H LYS 107 HN LYS 107 -4.203 7.036 -6.249 825 HA LYS 107 HA LYS 107 -1.969 7.485 -4.438 826 1HB LYS 107 HB2 LYS 107 -1.898 6.992 -6.983 827 2HB LYS 107 HB1 LYS 107 -2.239 8.711 -7.180 828 1HG LYS 107 HG2 LYS 107 -0.074 8.002 -5.267 829 2HG LYS 107 HG1 LYS 107 0.272 7.743 -6.977 830 1HD LYS 107 HD2 LYS 107 -1.011 10.327 -6.211 831 2HD LYS 107 HD1 LYS 107 0.693 10.112 -5.805 832 1HE LYS 107 HE2 LYS 107 0.816 11.009 -7.964 833 2HE LYS 107 HE1 LYS 107 0.908 9.277 -8.278 834 1HZ LYS 107 HZ1 LYS 107 -1.746 10.489 -8.157 835 2HZ LYS 107 HZ3 LYS 107 -0.800 10.828 -9.523 836 3HZ LYS 107 HZ2 LYS 107 -1.175 9.218 -9.130 837 H ASP 108 HN ASP 108 -4.689 9.348 -5.540 838 HA ASP 108 HA ASP 108 -3.642 11.980 -5.084 839 1HB ASP 108 HB2 ASP 108 -5.869 11.207 -6.232 840 2HB ASP 108 HB1 ASP 108 -6.529 11.288 -4.599 841 H ASP 109 HN ASP 109 -4.705 9.474 -2.933 842 HA ASP 109 HA ASP 109 -4.333 11.354 -0.639 843 1HB ASP 109 HB2 ASP 109 -6.455 9.220 -0.994 844 2HB ASP 109 HB1 ASP 109 -6.080 9.960 0.564 845 H VAL 110 HN VAL 110 -2.306 9.722 -1.755 846 HA VAL 110 HA VAL 110 -2.115 7.296 -0.099 847 HB VAL 110 HB VAL 110 -1.271 7.272 -2.420 848 1HG1 VAL 110 HG11 VAL 110 -0.589 9.670 -2.484 849 2HG1 VAL 110 HG13 VAL 110 0.776 9.282 -1.435 850 3HG1 VAL 110 HG12 VAL 110 0.682 8.590 -3.055 851 1HG2 VAL 110 HG21 VAL 110 -0.134 6.050 -0.360 852 2HG2 VAL 110 HG23 VAL 110 0.622 6.004 -1.954 853 3HG2 VAL 110 HG22 VAL 110 1.206 7.135 -0.733 854 H ASP 111 HN ASP 111 -0.310 6.972 1.400 855 HA ASP 111 HA ASP 111 0.925 9.484 2.427 856 1HB ASP 111 HB2 ASP 111 -0.424 7.368 4.133 857 2HB ASP 111 HB1 ASP 111 0.440 8.781 4.741 858 H THR 112 HN THR 112 0.869 6.040 3.402 859 HA THR 112 HA THR 112 3.798 6.069 3.674 860 HB THR 112 HB THR 112 2.104 3.596 3.913 861 HG1 THR 112 HG1 THR 112 2.250 4.723 6.263 862 1HG2 THR 112 HG23 THR 112 4.533 4.687 5.356 863 2HG2 THR 112 HG22 THR 112 3.728 3.172 5.766 864 3HG2 THR 112 HG21 THR 112 4.508 3.361 4.195 865 H LEU 113 HN LEU 113 5.133 4.417 2.567 866 HA LEU 113 HA LEU 113 3.972 3.360 0.042 867 1HB LEU 113 HB2 LEU 113 6.287 5.277 0.288 868 2HB LEU 113 HB1 LEU 113 6.167 4.170 -1.082 869 HG LEU 113 HG LEU 113 3.849 5.928 -0.280 870 1HD1 LEU 113 HD11 LEU 113 6.303 6.601 -1.884 871 2HD1 LEU 113 HD13 LEU 113 4.752 7.331 -2.305 872 3HD1 LEU 113 HD12 LEU 113 5.442 7.590 -0.704 873 1HD2 LEU 113 HD22 LEU 113 3.703 3.899 -1.882 874 2HD2 LEU 113 HD21 LEU 113 3.035 5.430 -2.448 875 3HD2 LEU 113 HD23 LEU 113 4.618 4.897 -3.012 876 H LEU 114 HN LEU 114 4.235 1.229 0.757 877 HA LEU 114 HA LEU 114 6.941 0.380 1.654 878 1HB LEU 114 HB2 LEU 114 4.267 -1.052 1.623 879 2HB LEU 114 HB1 LEU 114 5.777 -1.795 2.151 880 HG LEU 114 HG LEU 114 4.803 0.803 3.339 881 1HD1 LEU 114 HD11 LEU 114 4.173 -2.026 4.236 882 2HD1 LEU 114 HD13 LEU 114 3.878 -0.580 5.202 883 3HD1 LEU 114 HD12 LEU 114 3.010 -0.819 3.686 884 1HD2 LEU 114 HD21 LEU 114 6.780 -1.356 4.091 885 2HD2 LEU 114 HD23 LEU 114 7.079 0.368 3.868 886 3HD2 LEU 114 HD22 LEU 114 6.181 -0.196 5.277 887 H VAL 115 HN VAL 115 8.268 -0.106 -0.032 888 HA VAL 115 HA VAL 115 7.098 -1.625 -2.329 889 HB VAL 115 HB VAL 115 7.885 0.631 -2.962 890 1HG1 VAL 115 HG13 VAL 115 9.597 0.838 -1.162 891 2HG1 VAL 115 HG12 VAL 115 10.604 -0.325 -2.024 892 3HG1 VAL 115 HG11 VAL 115 10.239 1.237 -2.755 893 1HG2 VAL 115 HG22 VAL 115 8.129 -1.316 -4.533 894 2HG2 VAL 115 HG21 VAL 115 9.309 -0.036 -4.813 895 3HG2 VAL 115 HG23 VAL 115 9.788 -1.507 -3.966 896 H THR 116 HN THR 116 8.150 -3.507 -2.959 897 HA THR 116 HA THR 116 10.413 -4.382 -1.210 898 HB THR 116 HB THR 116 8.552 -6.164 -2.801 899 HG1 THR 116 HG1 THR 116 7.924 -4.691 -0.754 900 1HG2 THR 116 HG21 THR 116 10.744 -7.100 -2.090 901 2HG2 THR 116 HG23 THR 116 10.348 -6.700 -0.419 902 3HG2 THR 116 HG22 THR 116 9.388 -7.895 -1.291 903 H ARG 117 HN ARG 117 12.225 -3.842 -2.394 904 HA ARG 117 HA ARG 117 12.289 -4.254 -5.306 905 1HB ARG 117 HB2 ARG 117 14.388 -3.313 -3.331 906 2HB ARG 117 HB1 ARG 117 14.646 -3.416 -5.073 907 1HG ARG 117 HG2 ARG 117 12.305 -1.886 -3.946 908 2HG ARG 117 HG1 ARG 117 13.894 -1.134 -4.091 909 1HD ARG 117 HD2 ARG 117 13.858 -1.962 -6.536 910 2HD ARG 117 HD1 ARG 117 12.130 -2.217 -6.287 911 HE ARG 117 HE ARG 117 12.472 0.371 -5.438 912 1HH1 ARG 117 HH21 ARG 117 13.425 -1.364 -8.294 913 2HH1 ARG 117 HH22 ARG 117 13.357 0.037 -9.312 914 1HH2 ARG 117 HH11 ARG 117 12.388 2.180 -6.769 915 2HH2 ARG 117 HH12 ARG 117 12.772 2.033 -8.451 916 H LEU 118 HN LEU 118 13.726 -5.733 -6.354 917 HA LEU 118 HA LEU 118 14.812 -7.900 -4.603 918 1HB LEU 118 HB2 LEU 118 12.873 -8.053 -6.830 919 2HB LEU 118 HB1 LEU 118 14.198 -9.212 -6.937 920 HG LEU 118 HG LEU 118 13.709 -9.785 -4.494 921 1HD1 LEU 118 HD12 LEU 118 11.457 -7.919 -5.148 922 2HD1 LEU 118 HD11 LEU 118 11.139 -9.287 -4.081 923 3HD1 LEU 118 HD13 LEU 118 12.362 -8.095 -3.645 924 1HD2 LEU 118 HD22 LEU 118 11.705 -10.324 -6.702 925 2HD2 LEU 118 HD21 LEU 118 13.064 -11.336 -6.214 926 3HD2 LEU 118 HD23 LEU 118 11.670 -11.160 -5.150 927 H ALA 119 HN ALA 119 16.899 -8.463 -5.077 928 HA ALA 119 HA ALA 119 18.420 -6.879 -6.952 929 1HB ALA 119 HB3 ALA 119 19.285 -7.968 -4.811 930 2HB ALA 119 HB2 ALA 119 19.292 -9.492 -5.697 931 3HB ALA 119 HB1 ALA 119 20.313 -8.156 -6.231 932 H GLY 120 HN GLY 120 16.897 -10.045 -7.076 933 1HA GLY 120 HA2 GLY 120 18.236 -10.921 -9.495 934 2HA GLY 120 HA1 GLY 120 16.780 -11.640 -8.805 935 H SER 121 HN SER 121 17.779 -10.315 -11.556 936 HA SER 121 HA SER 121 15.639 -8.389 -12.064 937 1HB SER 121 HB2 SER 121 16.496 -8.592 -14.452 938 2HB SER 121 HB1 SER 121 17.684 -8.051 -13.269 939 HG SER 121 HG SER 121 18.787 -9.793 -13.655 940 H PHE 122 HN PHE 122 13.730 -8.777 -13.187 941 HA PHE 122 HA PHE 122 13.248 -11.457 -14.345 942 1HB PHE 122 HB2 PHE 122 11.570 -10.287 -12.103 943 2HB PHE 122 HB1 PHE 122 11.134 -11.712 -13.047 944 HD1 PHE 122 HD2 PHE 122 12.736 -13.704 -13.057 945 HD2 PHE 122 HD1 PHE 122 13.048 -10.457 -10.261 946 HE1 PHE 122 HE2 PHE 122 14.126 -15.119 -11.569 947 HE2 PHE 122 HE1 PHE 122 14.437 -11.873 -8.772 948 HZ PHE 122 HZ PHE 122 14.976 -14.204 -9.427 949 H GLU 123 HN GLU 123 12.112 -11.206 -16.206 950 HA GLU 123 HA GLU 123 10.938 -8.558 -16.802 951 1HB GLU 123 HB2 GLU 123 11.512 -11.015 -18.471 952 2HB GLU 123 HB1 GLU 123 10.609 -9.637 -19.101 953 1HG GLU 123 HG2 GLU 123 12.516 -8.151 -18.522 954 2HG GLU 123 HG1 GLU 123 13.423 -9.561 -17.973 955 H GLY 124 HN GLY 124 8.751 -8.506 -17.852 956 1HA GLY 124 HA2 GLY 124 6.945 -10.757 -17.364 957 2HA GLY 124 HA1 GLY 124 6.672 -9.383 -16.292 958 H ASP 125 HN ASP 125 4.769 -8.557 -17.109 959 HA ASP 125 HA ASP 125 4.897 -7.437 -19.861 960 1HB ASP 125 HB2 ASP 125 2.702 -9.214 -18.771 961 2HB ASP 125 HB1 ASP 125 2.484 -8.174 -20.180 962 H THR 126 HN THR 126 4.651 -6.714 -16.751 963 HA THR 126 HA THR 126 2.969 -4.333 -17.279 964 HB THR 126 HB THR 126 2.511 -5.922 -14.756 965 HG1 THR 126 HG1 THR 126 0.507 -6.217 -16.459 966 1HG2 THR 126 HG21 THR 126 1.816 -3.463 -15.117 967 2HG2 THR 126 HG23 THR 126 0.622 -4.102 -16.247 968 3HG2 THR 126 HG22 THR 126 0.574 -4.579 -14.550 969 H LYS 127 HN LYS 127 3.927 -2.559 -16.398 970 HA LYS 127 HA LYS 127 6.149 -3.010 -14.455 971 1HB LYS 127 HB2 LYS 127 5.568 -0.663 -16.289 972 2HB LYS 127 HB1 LYS 127 6.930 -0.757 -15.172 973 1HG LYS 127 HG2 LYS 127 7.615 -2.897 -16.340 974 2HG LYS 127 HG1 LYS 127 6.385 -2.545 -17.554 975 1HD LYS 127 HD2 LYS 127 7.497 -0.280 -17.860 976 2HD LYS 127 HD1 LYS 127 8.821 -0.887 -16.866 977 1HE LYS 127 HE2 LYS 127 9.443 -1.282 -19.153 978 2HE LYS 127 HE1 LYS 127 8.987 -2.845 -18.474 979 1HZ LYS 127 HZ1 LYS 127 6.641 -2.078 -19.363 980 2HZ LYS 127 HZ3 LYS 127 7.602 -1.198 -20.448 981 3HZ LYS 127 HZ2 LYS 127 7.755 -2.887 -20.359 982 H MET 128 HN MET 128 6.428 -0.905 -13.012 983 HA MET 128 HA MET 128 3.829 -0.531 -11.638 984 1HB MET 128 HB2 MET 128 6.251 -1.061 -10.604 985 2HB MET 128 HB1 MET 128 6.334 0.702 -10.593 986 1HG MET 128 HG2 MET 128 3.864 -0.647 -9.555 987 2HG MET 128 HG1 MET 128 5.298 -0.578 -8.533 988 1HE MET 128 HE1 MET 128 2.968 0.557 -7.329 989 2HE MET 128 HE3 MET 128 2.456 2.215 -7.677 990 3HE MET 128 HE2 MET 128 2.105 0.921 -8.821 991 H ILE 129 HN ILE 129 2.958 1.551 -11.231 992 HA ILE 129 HA ILE 129 3.353 3.506 -13.304 993 HB ILE 129 HB ILE 129 1.863 4.935 -11.879 994 1HG1 ILE 129 HG12 ILE 129 1.799 2.561 -10.003 995 2HG1 ILE 129 HG11 ILE 129 2.842 3.954 -9.718 996 1HG2 ILE 129 HG23 ILE 129 1.014 3.149 -13.455 997 2HG2 ILE 129 HG22 ILE 129 0.900 2.067 -12.066 998 3HG2 ILE 129 HG21 ILE 129 -0.082 3.530 -12.128 999 1HD1 ILE 129 HD11 ILE 129 -0.113 4.289 -10.227 1000 2HD1 ILE 129 HD13 ILE 129 0.509 3.974 -8.607 1001 3HD1 ILE 129 HD12 ILE 129 1.006 5.426 -9.475 1002 HA PRO 130 HA PRO 130 6.529 6.083 -11.554 1003 1HB PRO 130 HB2 PRO 130 5.597 8.578 -12.414 1004 2HB PRO 130 HB1 PRO 130 6.574 7.452 -13.366 1005 1HG PRO 130 HG2 PRO 130 3.843 8.210 -13.776 1006 2HG PRO 130 HG1 PRO 130 4.833 7.108 -14.742 1007 1HD PRO 130 HD2 PRO 130 2.758 6.476 -12.783 1008 2HD PRO 130 HD1 PRO 130 3.520 5.423 -13.986 1009 H LEU 131 HN LEU 131 6.536 6.314 -9.347 1010 HA LEU 131 HA LEU 131 4.363 7.874 -8.050 1011 1HB LEU 131 HB2 LEU 131 6.522 6.056 -6.951 1012 2HB LEU 131 HB1 LEU 131 5.436 6.997 -5.927 1013 HG LEU 131 HG LEU 131 4.449 5.085 -8.056 1014 1HD1 LEU 131 HD12 LEU 131 5.159 4.647 -5.162 1015 2HD1 LEU 131 HD11 LEU 131 3.882 3.697 -5.920 1016 3HD1 LEU 131 HD13 LEU 131 5.525 3.630 -6.555 1017 1HD2 LEU 131 HD22 LEU 131 3.173 6.530 -5.714 1018 2HD2 LEU 131 HD21 LEU 131 2.804 6.735 -7.427 1019 3HD2 LEU 131 HD23 LEU 131 2.373 5.235 -6.606 1020 H ASN 132 HN ASN 132 4.776 9.810 -7.001 1021 HA ASN 132 HA ASN 132 7.246 11.201 -7.693 1022 1HB ASN 132 HB2 ASN 132 4.865 12.204 -7.467 1023 2HB ASN 132 HB1 ASN 132 5.181 12.199 -5.732 1024 1HD2 ASN 132 HD22 ASN 132 7.144 14.861 -8.137 1025 2HD2 ASN 132 HD21 ASN 132 6.230 13.605 -8.824 1026 H TRP 133 HN TRP 133 8.786 9.824 -6.555 1027 HA TRP 133 HA TRP 133 8.675 9.412 -3.705 1028 1HB TRP 133 HB2 TRP 133 11.013 9.350 -5.636 1029 2HB TRP 133 HB1 TRP 133 11.090 8.809 -3.959 1030 HD1 TRP 133 HD1 TRP 133 9.906 7.783 -7.382 1031 HE1 TRP 133 HE1 TRP 133 8.941 5.394 -7.281 1032 HE3 TRP 133 HE3 TRP 133 9.778 7.096 -2.323 1033 HZ2 TRP 133 HZ2 TRP 133 8.213 3.449 -5.315 1034 HZ3 TRP 133 HZ3 TRP 133 8.945 4.969 -1.364 1035 HH2 TRP 133 HH2 TRP 133 8.162 3.145 -2.852 1036 H ASP 134 HN ASP 134 9.596 12.102 -5.669 1037 HA ASP 134 HA ASP 134 11.458 13.389 -3.924 1038 1HB ASP 134 HB2 ASP 134 10.807 13.995 -6.355 1039 2HB ASP 134 HB1 ASP 134 9.463 14.878 -5.631 1040 H ASP 135 HN ASP 135 8.005 13.007 -3.775 1041 HA ASP 135 HA ASP 135 7.772 15.098 -1.675 1042 1HB ASP 135 HB2 ASP 135 5.818 13.565 -3.364 1043 2HB ASP 135 HB1 ASP 135 5.277 14.269 -1.840 1044 H PHE 136 HN PHE 136 9.204 12.508 -1.284 1045 HA PHE 136 HA PHE 136 7.706 11.652 1.137 1046 1HB PHE 136 HB2 PHE 136 8.673 9.849 -1.090 1047 2HB PHE 136 HB1 PHE 136 8.372 9.246 0.540 1048 HD1 PHE 136 HD1 PHE 136 6.050 9.861 1.588 1049 HD2 PHE 136 HD2 PHE 136 6.904 9.972 -2.619 1050 HE1 PHE 136 HE1 PHE 136 3.624 9.725 1.092 1051 HE2 PHE 136 HE2 PHE 136 4.479 9.837 -3.116 1052 HZ PHE 136 HZ PHE 136 2.838 9.713 -1.260 1053 H THR 137 HN THR 137 9.230 10.088 2.439 1054 HA THR 137 HA THR 137 12.100 10.676 2.040 1055 HB THR 137 HB THR 137 10.795 11.313 4.693 1056 HG1 THR 137 HG1 THR 137 11.298 13.543 3.861 1057 1HG2 THR 137 HG23 THR 137 13.220 10.807 4.669 1058 2HG2 THR 137 HG22 THR 137 13.460 12.076 3.468 1059 3HG2 THR 137 HG21 THR 137 12.909 12.491 5.092 1060 H LYS 138 HN LYS 138 13.350 8.984 2.758 1061 HA LYS 138 HA LYS 138 12.053 6.538 3.592 1062 1HB LYS 138 HB2 LYS 138 14.233 6.772 2.259 1063 2HB LYS 138 HB1 LYS 138 15.012 7.128 3.802 1064 1HG LYS 138 HG2 LYS 138 14.210 4.983 4.713 1065 2HG LYS 138 HG1 LYS 138 13.421 4.623 3.177 1066 1HD LYS 138 HD2 LYS 138 16.375 5.225 3.337 1067 2HD LYS 138 HD1 LYS 138 15.748 3.590 3.554 1068 1HE LYS 138 HE2 LYS 138 14.542 3.876 1.339 1069 2HE LYS 138 HE1 LYS 138 15.466 5.361 1.115 1070 1HZ LYS 138 HZ1 LYS 138 16.958 2.966 1.848 1071 2HZ LYS 138 HZ3 LYS 138 16.325 3.018 0.275 1072 3HZ LYS 138 HZ2 LYS 138 17.386 4.236 0.805 1073 H VAL 139 HN VAL 139 12.415 5.421 5.635 1074 HA VAL 139 HA VAL 139 13.386 7.088 7.891 1075 HB VAL 139 HB VAL 139 11.333 6.505 9.210 1076 1HG1 VAL 139 HG12 VAL 139 11.666 8.685 7.929 1077 2HG1 VAL 139 HG11 VAL 139 10.643 7.996 6.669 1078 3HG1 VAL 139 HG13 VAL 139 9.992 8.260 8.286 1079 1HG2 VAL 139 HG23 VAL 139 10.356 5.584 6.487 1080 2HG2 VAL 139 HG22 VAL 139 10.611 4.561 7.900 1081 3HG2 VAL 139 HG21 VAL 139 9.334 5.777 7.912 1082 H SER 140 HN SER 140 12.365 3.964 6.622 1083 HA SER 140 HA SER 140 14.282 2.645 8.453 1084 1HB SER 140 HB2 SER 140 12.113 2.560 9.643 1085 2HB SER 140 HB1 SER 140 11.374 1.804 8.234 1086 HG SER 140 HG SER 140 12.224 0.413 10.026 1087 H SER 141 HN SER 141 15.108 0.710 7.580 1088 HA SER 141 HA SER 141 13.963 -0.273 5.026 1089 1HB SER 141 HB2 SER 141 16.200 -0.222 3.949 1090 2HB SER 141 HB1 SER 141 15.632 1.397 4.350 1091 HG SER 141 HG SER 141 17.395 1.565 5.467 1092 H ARG 142 HN ARG 142 13.627 -2.382 5.546 1093 HA ARG 142 HA ARG 142 15.570 -3.784 7.297 1094 1HB ARG 142 HB2 ARG 142 13.005 -3.907 7.575 1095 2HB ARG 142 HB1 ARG 142 13.029 -4.952 6.154 1096 1HG ARG 142 HG2 ARG 142 13.173 -6.452 7.981 1097 2HG ARG 142 HG1 ARG 142 14.835 -6.304 7.409 1098 1HD ARG 142 HD2 ARG 142 15.412 -4.798 9.170 1099 2HD ARG 142 HD1 ARG 142 13.722 -4.559 9.613 1100 HE ARG 142 HE ARG 142 14.400 -7.337 9.865 1101 1HH1 ARG 142 HH21 ARG 142 14.911 -4.234 11.343 1102 2HH1 ARG 142 HH22 ARG 142 15.151 -4.895 12.926 1103 1HH2 ARG 142 HH11 ARG 142 14.714 -8.182 11.924 1104 2HH2 ARG 142 HH12 ARG 142 15.039 -7.120 13.252 1105 H THR 143 HN THR 143 17.316 -4.401 6.061 1106 HA THR 143 HA THR 143 16.926 -5.461 3.341 1107 HB THR 143 HB THR 143 19.505 -5.436 4.919 1108 HG1 THR 143 HG1 THR 143 18.114 -3.361 4.566 1109 1HG2 THR 143 HG21 THR 143 18.713 -5.559 2.017 1110 2HG2 THR 143 HG23 THR 143 20.311 -4.980 2.488 1111 3HG2 THR 143 HG22 THR 143 19.806 -6.616 2.910 1112 H VAL 144 HN VAL 144 17.342 -7.628 2.743 1113 HA VAL 144 HA VAL 144 18.059 -9.588 4.818 1114 HB VAL 144 HB VAL 144 15.622 -9.333 5.119 1115 1HG1 VAL 144 HG12 VAL 144 15.139 -8.567 2.796 1116 2HG1 VAL 144 HG11 VAL 144 15.424 -10.209 2.222 1117 3HG1 VAL 144 HG13 VAL 144 14.077 -9.876 3.310 1118 1HG2 VAL 144 HG23 VAL 144 16.749 -11.583 5.337 1119 2HG2 VAL 144 HG22 VAL 144 15.032 -11.671 4.944 1120 3HG2 VAL 144 HG21 VAL 144 16.239 -11.933 3.685 1121 H GLU 145 HN GLU 145 19.189 -11.253 3.897 1122 HA GLU 145 HA GLU 145 19.229 -11.379 0.913 1123 1HB GLU 145 HB2 GLU 145 21.287 -12.367 2.912 1124 2HB GLU 145 HB1 GLU 145 21.453 -12.394 1.156 1125 1HG GLU 145 HG2 GLU 145 21.207 -9.906 1.138 1126 2HG GLU 145 HG1 GLU 145 21.191 -9.929 2.902 1127 H ASP 146 HN ASP 146 18.286 -13.136 0.011 1128 HA ASP 146 HA ASP 146 17.364 -15.347 1.692 1129 1HB ASP 146 HB2 ASP 146 16.215 -14.279 -0.414 1130 2HB ASP 146 HB1 ASP 146 17.270 -15.371 -1.313 1131 H THR 147 HN THR 147 17.680 -17.546 0.006 1132 HA THR 147 HA THR 147 20.397 -18.337 0.613 1133 HB THR 147 HB THR 147 19.754 -20.411 -0.695 1134 HG1 THR 147 HG1 THR 147 18.055 -20.299 -1.895 1135 1HG2 THR 147 HG23 THR 147 19.350 -20.111 1.762 1136 2HG2 THR 147 HG22 THR 147 17.730 -19.528 1.379 1137 3HG2 THR 147 HG21 THR 147 18.188 -21.186 0.985 1138 H ASN 148 HN ASN 148 18.691 -17.380 -2.351 1139 HA ASN 148 HA ASN 148 21.265 -17.577 -3.841 1140 1HB ASN 148 HB2 ASN 148 19.132 -18.695 -4.713 1141 2HB ASN 148 HB1 ASN 148 18.528 -17.066 -5.022 1142 1HD2 ASN 148 HD22 ASN 148 21.045 -18.723 -7.661 1143 2HD2 ASN 148 HD21 ASN 148 20.284 -19.601 -6.424 1144 HA PRO 149 HA PRO 149 21.968 -13.180 -3.621 1145 1HB PRO 149 HB2 PRO 149 22.804 -13.098 -6.401 1146 2HB PRO 149 HB1 PRO 149 23.786 -12.930 -4.941 1147 1HG PRO 149 HG2 PRO 149 23.568 -15.189 -6.694 1148 2HG PRO 149 HG1 PRO 149 24.608 -14.988 -5.276 1149 1HD PRO 149 HD2 PRO 149 22.403 -16.714 -5.486 1150 2HD PRO 149 HD1 PRO 149 23.252 -16.271 -3.998 1151 H ALA 150 HN ALA 150 20.488 -14.416 -6.631 1152 HA ALA 150 HA ALA 150 19.213 -11.963 -7.375 1153 1HB ALA 150 HB3 ALA 150 19.533 -13.944 -8.884 1154 2HB ALA 150 HB2 ALA 150 18.271 -14.781 -7.980 1155 3HB ALA 150 HB1 ALA 150 17.883 -13.320 -8.888 1156 H LEU 151 HN LEU 151 18.366 -14.468 -5.085 1157 HA LEU 151 HA LEU 151 15.585 -13.581 -4.814 1158 1HB LEU 151 HB2 LEU 151 17.325 -15.569 -3.358 1159 2HB LEU 151 HB1 LEU 151 15.734 -15.127 -2.739 1160 HG LEU 151 HG LEU 151 16.182 -16.070 -5.579 1161 1HD1 LEU 151 HD11 LEU 151 16.814 -17.749 -3.724 1162 2HD1 LEU 151 HD13 LEU 151 15.098 -17.756 -3.318 1163 3HD1 LEU 151 HD12 LEU 151 15.628 -18.279 -4.917 1164 1HD2 LEU 151 HD22 LEU 151 13.761 -15.705 -3.791 1165 2HD2 LEU 151 HD21 LEU 151 14.117 -14.859 -5.296 1166 3HD2 LEU 151 HD23 LEU 151 13.705 -16.573 -5.324 1167 H THR 152 HN THR 152 18.035 -11.781 -4.247 1168 HA THR 152 HA THR 152 17.683 -11.173 -1.383 1169 HB THR 152 HB THR 152 19.315 -9.710 -3.482 1170 HG1 THR 152 HG1 THR 152 19.852 -11.965 -3.075 1171 1HG2 THR 152 HG23 THR 152 19.178 -9.613 -0.466 1172 2HG2 THR 152 HG22 THR 152 20.588 -9.037 -1.356 1173 3HG2 THR 152 HG21 THR 152 19.016 -8.279 -1.609 1174 H HIS 153 HN HIS 153 16.576 -9.384 -0.597 1175 HA HIS 153 HA HIS 153 15.523 -7.362 -2.467 1176 1HB HIS 153 HB2 HIS 153 13.172 -7.729 -1.664 1177 2HB HIS 153 HB1 HIS 153 13.796 -9.063 -2.635 1178 HD1 HIS 153 HD1 HIS 153 14.880 -11.101 -1.135 1179 HD2 HIS 153 HD2 HIS 153 12.242 -8.529 0.817 1180 HE1 HIS 153 HE1 HIS 153 14.134 -12.300 0.969 1181 H THR 154 HN THR 154 14.299 -5.643 -1.198 1182 HA THR 154 HA THR 154 15.075 -5.546 1.673 1183 HB THR 154 HB THR 154 15.561 -3.236 -0.223 1184 HG1 THR 154 HG1 THR 154 17.808 -3.871 0.207 1185 1HG2 THR 154 HG22 THR 154 15.961 -3.771 2.691 1186 2HG2 THR 154 HG21 THR 154 17.129 -2.743 1.862 1187 3HG2 THR 154 HG23 THR 154 15.422 -2.297 1.886 1188 H TYR 155 HN TYR 155 13.413 -4.774 2.894 1189 HA TYR 155 HA TYR 155 10.977 -3.842 1.531 1190 1HB TYR 155 HB2 TYR 155 11.597 -4.328 4.461 1191 2HB TYR 155 HB1 TYR 155 10.010 -3.881 3.834 1192 HD1 TYR 155 HD2 TYR 155 8.738 -5.428 2.392 1193 HD2 TYR 155 HD1 TYR 155 12.511 -6.547 4.113 1194 HE1 TYR 155 HE2 TYR 155 8.274 -7.806 1.864 1195 HE2 TYR 155 HE1 TYR 155 12.048 -8.925 3.585 1196 HH TYR 155 HH TYR 155 8.963 -9.907 2.098 1197 H GLU 156 HN GLU 156 11.489 -1.754 0.779 1198 HA GLU 156 HA GLU 156 12.667 0.248 2.548 1199 1HB GLU 156 HB2 GLU 156 11.455 0.345 -0.220 1200 2HB GLU 156 HB1 GLU 156 11.993 1.802 0.617 1201 1HG GLU 156 HG2 GLU 156 14.229 0.577 0.960 1202 2HG GLU 156 HG1 GLU 156 13.649 -0.571 -0.247 1203 H VAL 157 HN VAL 157 11.581 1.835 3.692 1204 HA VAL 157 HA VAL 157 8.598 1.862 3.486 1205 HB VAL 157 HB VAL 157 10.197 2.108 6.051 1206 1HG1 VAL 157 HG13 VAL 157 7.229 1.875 5.466 1207 2HG1 VAL 157 HG12 VAL 157 7.938 1.816 7.080 1208 3HG1 VAL 157 HG11 VAL 157 8.061 3.288 6.116 1209 1HG2 VAL 157 HG21 VAL 157 8.848 -0.223 4.701 1210 2HG2 VAL 157 HG23 VAL 157 10.426 -0.162 5.488 1211 3HG2 VAL 157 HG22 VAL 157 8.954 -0.159 6.460 1212 H TRP 158 HN TRP 158 8.074 3.849 2.722 1213 HA TRP 158 HA TRP 158 9.697 6.189 3.638 1214 1HB TRP 158 HB2 TRP 158 8.002 5.827 1.147 1215 2HB TRP 158 HB1 TRP 158 8.817 7.325 1.596 1216 HD1 TRP 158 HD1 TRP 158 9.814 3.605 1.147 1217 HE1 TRP 158 HE1 TRP 158 12.131 3.533 0.018 1218 HE3 TRP 158 HE3 TRP 158 10.770 8.607 0.776 1219 HZ2 TRP 158 HZ2 TRP 158 14.126 5.357 -0.918 1220 HZ3 TRP 158 HZ3 TRP 158 12.883 9.411 -0.238 1221 HH2 TRP 158 HH2 TRP 158 14.562 7.794 -1.085 1222 H GLN 159 HN GLN 159 8.373 8.250 3.815 1223 HA GLN 159 HA GLN 159 5.528 7.779 4.530 1224 1HB GLN 159 HB2 GLN 159 7.649 8.901 6.375 1225 2HB GLN 159 HB1 GLN 159 5.923 9.147 6.643 1226 1HG GLN 159 HG2 GLN 159 5.722 6.578 6.435 1227 2HG GLN 159 HG1 GLN 159 7.471 6.558 6.661 1228 1HE2 GLN 159 HE21 GLN 159 7.997 8.383 8.597 1229 2HE2 GLN 159 HE22 GLN 159 7.122 8.068 10.017 1230 H LYS 160 HN LYS 160 4.236 9.597 4.190 1231 HA LYS 160 HA LYS 160 5.254 11.640 2.434 1232 1HB LYS 160 HB2 LYS 160 2.821 10.740 2.707 1233 2HB LYS 160 HB1 LYS 160 2.702 11.923 4.009 1234 1HG LYS 160 HG2 LYS 160 3.515 13.671 2.367 1235 2HG LYS 160 HG1 LYS 160 3.338 12.459 1.097 1236 1HD LYS 160 HD2 LYS 160 1.013 12.396 1.293 1237 2HD LYS 160 HD1 LYS 160 1.037 12.999 2.951 1238 1HE LYS 160 HE2 LYS 160 1.898 15.198 2.039 1239 2HE LYS 160 HE1 LYS 160 1.580 14.573 0.421 1240 1HZ LYS 160 HZ2 LYS 160 -0.451 14.764 2.578 1241 2HZ LYS 160 HZ1 LYS 160 -0.262 15.903 1.331 1242 3HZ LYS 160 HZ3 LYS 160 -0.722 14.314 0.962 1243 H LYS 161 HN LYS 161 6.250 13.521 2.965 1244 HA LYS 161 HA LYS 161 5.685 14.822 5.556 1245 1HB LYS 161 HB2 LYS 161 7.609 13.180 5.887 1246 2HB LYS 161 HB1 LYS 161 8.540 14.184 4.776 1247 1HG LYS 161 HG2 LYS 161 7.851 16.156 6.321 1248 2HG LYS 161 HG1 LYS 161 7.460 14.899 7.496 1249 1HD LYS 161 HD2 LYS 161 10.138 15.046 6.095 1250 2HD LYS 161 HD1 LYS 161 9.826 15.837 7.642 1251 1HE LYS 161 HE2 LYS 161 9.359 12.885 7.147 1252 2HE LYS 161 HE1 LYS 161 10.843 13.534 7.845 1253 1HZ LYS 161 HZ1 LYS 161 8.613 14.635 9.168 1254 2HZ LYS 161 HZ3 LYS 161 8.465 12.946 9.155 1255 3HZ LYS 161 HZ2 LYS 161 9.858 13.670 9.805 1256 H ALA 162 HN ALA 162 6.156 17.055 5.508 1257 HA ALA 162 HA ALA 162 6.494 18.177 2.803 1258 1HB ALA 162 HB1 ALA 162 5.995 19.531 5.473 1259 2HB ALA 162 HB3 ALA 162 5.968 20.332 3.901 1260 3HB ALA 162 HB2 ALA 162 4.760 19.106 4.287 1261 1H9 TMQ 170 H91 TMQ 170 -0.781 -9.756 -6.480 1262 2H9 TMQ 170 H92 TMQ 170 -1.585 -10.490 -5.084 1263 HN1 TMQ 170 H1N TMQ 170 -0.318 -11.873 -7.183 1264 1H17 TMQ 170 HM1 TMQ 170 -1.713 -8.577 -4.586 1265 2H17 TMQ 170 HM2 TMQ 170 -1.484 -8.155 -2.890 1266 3H17 TMQ 170 HM3 TMQ 170 -0.895 -7.076 -4.162 1267 1H21 TMQ 170 HW11 TMQ 170 -1.873 -12.896 -0.350 1268 2H21 TMQ 170 HW12 TMQ 170 -2.360 -12.262 -1.930 1269 3H21 TMQ 170 HW13 TMQ 170 -0.651 -12.264 -1.464 1270 1H22 TMQ 170 HI1 TMQ 170 1.175 -17.249 -1.711 1271 2H22 TMQ 170 HI2 TMQ 170 1.890 -16.322 -3.040 1272 3H22 TMQ 170 HI3 TMQ 170 1.138 -15.480 -1.676 1273 1H23 TMQ 170 HW21 TMQ 170 1.387 -15.937 -7.496 1274 2H23 TMQ 170 HW22 TMQ 170 2.506 -17.095 -6.761 1275 3H23 TMQ 170 HW23 TMQ 170 2.575 -15.386 -6.305 1276 1HN2 TMQ 170 HN21 TMQ 170 5.617 -8.036 -0.807 1277 2HN2 TMQ 170 HN22 TMQ 170 4.763 -6.714 -0.085 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.446 -6.559 -2.304 1279 2HN5 TMQ 170 HN42 TMQ 170 0.506 -5.711 -1.165 1280 HN TMQ 170 H1 TMQ 170 4.579 -9.344 -2.370 1281 H7 TMQ 170 H7 TMQ 170 1.806 -11.521 -5.439 1282 H8 TMQ 170 H8 TMQ 170 3.698 -10.853 -4.029 1283 H12 TMQ 170 HP2 TMQ 170 -1.432 -12.003 -3.739 1284 H16 TMQ 170 HP6 TMQ 170 0.694 -14.061 -6.888 No H/Q in entry = 1284 Start of MODEL 9 1 1H THR 1 HT2 THR 1 -3.215 5.930 4.838 2 2H THR 1 HT1 THR 1 -3.160 6.920 3.457 3 3H THR 1 HT3 THR 1 -4.654 6.382 4.054 4 HA THR 1 HA THR 1 -4.282 4.183 3.387 5 HB THR 1 HB THR 1 -3.030 5.842 1.189 6 HG1 THR 1 HG1 THR 1 -5.539 5.875 0.789 7 1HG2 THR 1 HG22 THR 1 -4.716 3.347 1.343 8 2HG2 THR 1 HG21 THR 1 -4.614 4.295 -0.141 9 3HG2 THR 1 HG23 THR 1 -3.158 3.573 0.546 10 H ALA 2 HN ALA 2 -2.776 2.558 2.496 11 HA ALA 2 HA ALA 2 0.101 3.200 2.975 12 1HB ALA 2 HB2 ALA 2 -0.967 1.976 4.930 13 2HB ALA 2 HB1 ALA 2 -1.218 0.613 3.839 14 3HB ALA 2 HB3 ALA 2 0.419 1.160 4.207 15 H PHE 3 HN PHE 3 0.811 3.080 0.870 16 HA PHE 3 HA PHE 3 -0.216 1.120 -1.020 17 1HB PHE 3 HB2 PHE 3 1.933 3.212 -1.044 18 2HB PHE 3 HB1 PHE 3 1.949 1.963 -2.288 19 HD1 PHE 3 HD2 PHE 3 -0.770 3.900 -0.556 20 HD2 PHE 3 HD1 PHE 3 1.023 2.721 -4.278 21 HE1 PHE 3 HE2 PHE 3 -2.551 5.102 -1.796 22 HE2 PHE 3 HE1 PHE 3 -0.757 3.925 -5.516 23 HZ PHE 3 HZ PHE 3 -2.543 5.115 -4.275 24 H LEU 4 HN LEU 4 0.740 -0.817 -1.643 25 HA LEU 4 HA LEU 4 3.394 -1.565 -0.603 26 1HB LEU 4 HB2 LEU 4 1.798 -2.129 1.242 27 2HB LEU 4 HB1 LEU 4 0.929 -3.180 0.124 28 HG LEU 4 HG LEU 4 3.316 -4.233 -0.271 29 1HD1 LEU 4 HD12 LEU 4 3.585 -2.644 2.261 30 2HD1 LEU 4 HD11 LEU 4 4.412 -4.197 2.132 31 3HD1 LEU 4 HD13 LEU 4 4.767 -2.911 0.979 32 1HD2 LEU 4 HD22 LEU 4 1.518 -4.652 2.127 33 2HD2 LEU 4 HD21 LEU 4 1.547 -5.567 0.620 34 3HD2 LEU 4 HD23 LEU 4 2.874 -5.722 1.771 35 H TRP 5 HN TRP 5 4.303 -2.313 -2.464 36 HA TRP 5 HA TRP 5 2.871 -4.430 -3.962 37 1HB TRP 5 HB2 TRP 5 3.264 -3.344 -6.124 38 2HB TRP 5 HB1 TRP 5 2.294 -2.295 -5.093 39 HD1 TRP 5 HD1 TRP 5 5.332 -2.308 -7.161 40 HE1 TRP 5 HE1 TRP 5 6.731 -0.182 -6.764 41 HE3 TRP 5 HE3 TRP 5 3.062 -0.527 -2.941 42 HZ2 TRP 5 HZ2 TRP 5 6.872 1.986 -4.906 43 HZ3 TRP 5 HZ3 TRP 5 3.854 1.567 -1.881 44 HH2 TRP 5 HH2 TRP 5 5.752 2.826 -2.858 45 H ALA 6 HN ALA 6 4.282 -5.870 -5.027 46 HA ALA 6 HA ALA 6 7.132 -5.625 -4.206 47 1HB ALA 6 HB3 ALA 6 5.615 -7.722 -3.803 48 2HB ALA 6 HB2 ALA 6 5.929 -8.059 -5.506 49 3HB ALA 6 HB1 ALA 6 7.271 -7.960 -4.364 50 H GLN 7 HN GLN 7 8.450 -4.747 -5.722 51 HA GLN 7 HA GLN 7 8.033 -5.532 -8.572 52 1HB GLN 7 HB2 GLN 7 8.687 -3.197 -9.216 53 2HB GLN 7 HB1 GLN 7 7.148 -3.277 -8.358 54 1HG GLN 7 HG2 GLN 7 8.114 -2.492 -6.333 55 2HG GLN 7 HG1 GLN 7 9.755 -2.782 -6.913 56 1HE2 GLN 7 HE22 GLN 7 9.982 0.539 -8.035 57 2HE2 GLN 7 HE21 GLN 7 10.727 -0.782 -7.270 58 H ASP 8 HN ASP 8 10.034 -5.269 -9.877 59 HA ASP 8 HA ASP 8 12.460 -5.692 -8.185 60 1HB ASP 8 HB2 ASP 8 13.382 -6.812 -10.256 61 2HB ASP 8 HB1 ASP 8 11.993 -7.632 -9.545 62 H ARG 9 HN ARG 9 14.539 -4.971 -9.351 63 HA ARG 9 HA ARG 9 14.447 -2.164 -9.827 64 1HB ARG 9 HB2 ARG 9 16.795 -2.470 -10.664 65 2HB ARG 9 HB1 ARG 9 16.505 -3.219 -9.094 66 1HG ARG 9 HG2 ARG 9 16.271 -5.403 -10.101 67 2HG ARG 9 HG1 ARG 9 16.312 -4.712 -11.724 68 1HD ARG 9 HD2 ARG 9 18.647 -3.900 -10.185 69 2HD ARG 9 HD1 ARG 9 18.509 -5.656 -10.259 70 HE ARG 9 HE ARG 9 18.857 -5.555 -12.610 71 1HH1 ARG 9 HH21 ARG 9 18.408 -2.403 -11.219 72 2HH1 ARG 9 HH22 ARG 9 18.911 -1.570 -12.652 73 1HH2 ARG 9 HH11 ARG 9 19.507 -4.462 -14.461 74 2HH2 ARG 9 HH12 ARG 9 19.530 -2.730 -14.478 75 H ASP 10 HN ASP 10 13.724 -4.793 -11.909 76 HA ASP 10 HA ASP 10 14.383 -3.451 -14.413 77 1HB ASP 10 HB2 ASP 10 12.975 -5.972 -13.622 78 2HB ASP 10 HB1 ASP 10 12.702 -5.334 -15.244 79 H GLY 11 HN GLY 11 12.366 -2.363 -12.253 80 1HA GLY 11 HA2 GLY 11 10.449 -1.014 -12.321 81 2HA GLY 11 HA1 GLY 11 10.708 -0.903 -14.062 82 H LEU 12 HN LEU 12 10.213 -3.933 -12.325 83 HA LEU 12 HA LEU 12 7.602 -4.226 -13.760 84 1HB LEU 12 HB2 LEU 12 9.620 -5.741 -14.394 85 2HB LEU 12 HB1 LEU 12 9.299 -6.548 -12.857 86 HG LEU 12 HG LEU 12 6.841 -6.671 -13.680 87 1HD1 LEU 12 HD12 LEU 12 7.428 -5.081 -15.627 88 2HD1 LEU 12 HD11 LEU 12 8.177 -6.489 -16.382 89 3HD1 LEU 12 HD13 LEU 12 6.452 -6.499 -16.012 90 1HD2 LEU 12 HD21 LEU 12 8.610 -8.541 -13.533 91 2HD2 LEU 12 HD23 LEU 12 7.253 -8.811 -14.628 92 3HD2 LEU 12 HD22 LEU 12 8.818 -8.314 -15.270 93 H ILE 13 HN ILE 13 5.903 -5.296 -12.597 94 HA ILE 13 HA ILE 13 6.347 -5.421 -9.639 95 HB ILE 13 HB ILE 13 3.947 -4.768 -9.412 96 1HG1 ILE 13 HG12 ILE 13 3.226 -3.578 -11.742 97 2HG1 ILE 13 HG11 ILE 13 4.150 -4.940 -12.375 98 1HG2 ILE 13 HG23 ILE 13 5.990 -3.023 -10.737 99 2HG2 ILE 13 HG22 ILE 13 4.362 -2.385 -10.502 100 3HG2 ILE 13 HG21 ILE 13 5.312 -2.915 -9.113 101 1HD1 ILE 13 HD12 ILE 13 2.704 -6.230 -10.496 102 2HD1 ILE 13 HD11 ILE 13 1.579 -4.927 -10.882 103 3HD1 ILE 13 HD13 ILE 13 2.137 -6.016 -12.152 104 H GLY 14 HN GLY 14 4.533 -6.755 -12.393 105 1HA GLY 14 HA2 GLY 14 4.664 -9.432 -11.242 106 2HA GLY 14 HA1 GLY 14 3.031 -8.761 -11.236 107 H LYS 15 HN LYS 15 2.794 -10.739 -12.735 108 HA LYS 15 HA LYS 15 2.704 -9.773 -15.483 109 1HB LYS 15 HB2 LYS 15 5.087 -10.617 -15.175 110 2HB LYS 15 HB1 LYS 15 4.398 -12.225 -14.948 111 1HG LYS 15 HG2 LYS 15 3.134 -11.687 -17.192 112 2HG LYS 15 HG1 LYS 15 4.431 -10.513 -17.414 113 1HD LYS 15 HD2 LYS 15 6.116 -12.229 -17.261 114 2HD LYS 15 HD1 LYS 15 4.921 -13.431 -16.770 115 1HE LYS 15 HE2 LYS 15 3.757 -12.879 -19.025 116 2HE LYS 15 HE1 LYS 15 5.301 -12.157 -19.474 117 1HZ LYS 15 HZ3 LYS 15 6.244 -14.393 -18.616 118 2HZ LYS 15 HZ2 LYS 15 4.666 -14.966 -18.879 119 3HZ LYS 15 HZ1 LYS 15 5.563 -14.315 -20.168 120 H ASP 16 HN ASP 16 0.820 -10.570 -16.267 121 HA ASP 16 HA ASP 16 -1.046 -11.957 -16.559 122 1HB ASP 16 HB2 ASP 16 1.226 -13.821 -16.100 123 2HB ASP 16 HB1 ASP 16 -0.391 -14.499 -15.911 124 H GLY 17 HN GLY 17 -0.579 -10.659 -13.969 125 1HA GLY 17 HA2 GLY 17 -1.989 -10.630 -12.038 126 2HA GLY 17 HA1 GLY 17 -2.440 -12.303 -12.372 127 H HIS 18 HN HIS 18 -0.361 -13.818 -12.276 128 HA HIS 18 HA HIS 18 0.611 -13.662 -9.546 129 1HB HIS 18 HB2 HIS 18 1.936 -15.692 -10.196 130 2HB HIS 18 HB1 HIS 18 0.215 -15.842 -10.543 131 HD1 HIS 18 HD1 HIS 18 3.513 -15.136 -12.274 132 HD2 HIS 18 HD2 HIS 18 -0.406 -16.164 -13.256 133 HE1 HIS 18 HE1 HIS 18 3.510 -15.663 -14.751 134 H LEU 19 HN LEU 19 3.095 -13.995 -9.199 135 HA LEU 19 HA LEU 19 4.445 -11.752 -10.582 136 1HB LEU 19 HB2 LEU 19 5.290 -13.412 -8.187 137 2HB LEU 19 HB1 LEU 19 6.152 -12.003 -8.804 138 HG LEU 19 HG LEU 19 3.244 -11.698 -8.188 139 1HD1 LEU 19 HD13 LEU 19 5.449 -12.080 -6.171 140 2HD1 LEU 19 HD12 LEU 19 4.081 -11.027 -5.809 141 3HD1 LEU 19 HD11 LEU 19 3.811 -12.736 -6.156 142 1HD2 LEU 19 HD22 LEU 19 4.986 -9.970 -9.152 143 2HD2 LEU 19 HD21 LEU 19 3.819 -9.449 -7.937 144 3HD2 LEU 19 HD23 LEU 19 5.477 -9.822 -7.465 145 HA PRO 20 HA PRO 20 7.036 -14.449 -13.003 146 1HB PRO 20 HB2 PRO 20 9.204 -12.718 -13.301 147 2HB PRO 20 HB1 PRO 20 7.744 -12.721 -14.299 148 1HG PRO 20 HG2 PRO 20 8.612 -10.738 -12.407 149 2HG PRO 20 HG1 PRO 20 7.208 -10.700 -13.482 150 1HD PRO 20 HD2 PRO 20 7.303 -11.245 -10.625 151 2HD PRO 20 HD1 PRO 20 5.895 -10.957 -11.661 152 H TRP 21 HN TRP 21 8.246 -13.036 -10.044 153 HA TRP 21 HA TRP 21 10.459 -15.040 -9.969 154 1HB TRP 21 HB2 TRP 21 11.338 -13.632 -8.087 155 2HB TRP 21 HB1 TRP 21 11.230 -12.762 -9.617 156 HD1 TRP 21 HD1 TRP 21 9.376 -13.156 -6.273 157 HE1 TRP 21 HE1 TRP 21 7.960 -11.040 -5.870 158 HE3 TRP 21 HE3 TRP 21 10.133 -10.731 -10.703 159 HZ2 TRP 21 HZ2 TRP 21 7.243 -8.636 -7.246 160 HZ3 TRP 21 HZ3 TRP 21 9.072 -8.532 -11.130 161 HH2 TRP 21 HH2 TRP 21 7.630 -7.482 -9.409 162 H HIS 22 HN HIS 22 10.822 -16.081 -7.813 163 HA HIS 22 HA HIS 22 8.215 -16.571 -6.426 164 1HB HIS 22 HB2 HIS 22 9.242 -18.506 -7.720 165 2HB HIS 22 HB1 HIS 22 10.570 -18.470 -6.560 166 HD1 HIS 22 HD1 HIS 22 6.750 -18.461 -6.317 167 HD2 HIS 22 HD2 HIS 22 10.065 -20.207 -4.488 168 HE1 HIS 22 HE1 HIS 22 5.849 -19.990 -4.511 169 H LEU 23 HN LEU 23 8.376 -15.192 -4.672 170 HA LEU 23 HA LEU 23 10.802 -15.506 -2.946 171 1HB LEU 23 HB2 LEU 23 10.379 -13.217 -4.049 172 2HB LEU 23 HB1 LEU 23 9.000 -13.081 -2.957 173 HG LEU 23 HG LEU 23 10.546 -13.495 -1.031 174 1HD1 LEU 23 HD11 LEU 23 12.505 -13.609 -3.305 175 2HD1 LEU 23 HD13 LEU 23 13.036 -12.984 -1.743 176 3HD1 LEU 23 HD12 LEU 23 12.405 -14.626 -1.868 177 1HD2 LEU 23 HD23 LEU 23 10.012 -11.168 -2.298 178 2HD2 LEU 23 HD22 LEU 23 11.041 -11.256 -0.869 179 3HD2 LEU 23 HD21 LEU 23 11.767 -11.192 -2.474 180 HA PRO 24 HA PRO 24 7.183 -17.554 -0.781 181 1HB PRO 24 HB2 PRO 24 9.296 -18.610 0.926 182 2HB PRO 24 HB1 PRO 24 8.151 -19.483 -0.100 183 1HG PRO 24 HG2 PRO 24 10.923 -18.957 -0.584 184 2HG PRO 24 HG1 PRO 24 9.785 -19.864 -1.588 185 1HD PRO 24 HD2 PRO 24 10.925 -17.376 -2.210 186 2HD PRO 24 HD1 PRO 24 9.560 -18.141 -3.037 187 H ASP 25 HN ASP 25 10.029 -15.863 0.505 188 HA ASP 25 HA ASP 25 9.018 -15.379 3.136 189 1HB ASP 25 HB2 ASP 25 11.403 -14.971 2.065 190 2HB ASP 25 HB1 ASP 25 10.754 -13.359 1.756 191 H ASP 26 HN ASP 26 8.878 -13.395 0.168 192 HA ASP 26 HA ASP 26 7.428 -11.216 1.318 193 1HB ASP 26 HB2 ASP 26 8.585 -11.148 -0.899 194 2HB ASP 26 HB1 ASP 26 7.330 -12.202 -1.550 195 H LEU 27 HN LEU 27 6.372 -14.258 -0.163 196 HA LEU 27 HA LEU 27 3.570 -13.658 -0.234 197 1HB LEU 27 HB2 LEU 27 5.009 -16.317 0.015 198 2HB LEU 27 HB1 LEU 27 3.288 -16.139 -0.330 199 HG LEU 27 HG LEU 27 5.491 -14.928 -2.023 200 1HD1 LEU 27 HD13 LEU 27 4.118 -17.582 -2.078 201 2HD1 LEU 27 HD12 LEU 27 4.436 -16.790 -3.621 202 3HD1 LEU 27 HD11 LEU 27 5.771 -17.165 -2.531 203 1HD2 LEU 27 HD21 LEU 27 2.484 -15.113 -2.228 204 2HD2 LEU 27 HD23 LEU 27 3.505 -13.680 -2.351 205 3HD2 LEU 27 HD22 LEU 27 3.484 -14.863 -3.659 206 H HIS 28 HN HIS 28 5.720 -14.564 2.345 207 HA HIS 28 HA HIS 28 3.525 -15.347 4.151 208 1HB HIS 28 HB2 HIS 28 6.523 -15.122 4.440 209 2HB HIS 28 HB1 HIS 28 5.481 -15.378 5.841 210 HD1 HIS 28 HD1 HIS 28 3.414 -17.307 4.655 211 HD2 HIS 28 HD2 HIS 28 7.516 -17.685 4.017 212 HE1 HIS 28 HE1 HIS 28 3.824 -19.731 4.048 213 H TYR 29 HN TYR 29 5.533 -12.552 3.461 214 HA TYR 29 HA TYR 29 4.843 -11.090 5.871 215 1HB TYR 29 HB2 TYR 29 6.862 -10.649 4.393 216 2HB TYR 29 HB1 TYR 29 5.752 -9.929 3.225 217 HD1 TYR 29 HD1 TYR 29 6.190 -9.809 6.957 218 HD2 TYR 29 HD2 TYR 29 5.685 -7.609 3.303 219 HE1 TYR 29 HE1 TYR 29 6.224 -7.681 8.233 220 HE2 TYR 29 HE2 TYR 29 5.718 -5.483 4.578 221 HH TYR 29 HH TYR 29 5.222 -4.749 6.939 222 H PHE 30 HN PHE 30 3.334 -11.604 2.778 223 HA PHE 30 HA PHE 30 1.634 -9.304 2.703 224 1HB PHE 30 HB2 PHE 30 2.031 -10.965 0.821 225 2HB PHE 30 HB1 PHE 30 0.938 -12.063 1.664 226 HD1 PHE 30 HD1 PHE 30 1.150 -8.583 0.302 227 HD2 PHE 30 HD2 PHE 30 -1.388 -11.880 1.373 228 HE1 PHE 30 HE1 PHE 30 -0.797 -7.404 -0.681 229 HE2 PHE 30 HE2 PHE 30 -3.335 -10.700 0.390 230 HZ PHE 30 HZ PHE 30 -3.040 -8.461 -0.636 231 H ARG 31 HN ARG 31 1.138 -12.565 4.066 232 HA ARG 31 HA ARG 31 -1.530 -12.090 5.006 233 1HB ARG 31 HB2 ARG 31 -0.359 -14.342 4.779 234 2HB ARG 31 HB1 ARG 31 0.491 -13.954 6.276 235 1HG ARG 31 HG2 ARG 31 -1.477 -13.987 7.554 236 2HG ARG 31 HG1 ARG 31 -2.510 -13.759 6.142 237 1HD ARG 31 HD2 ARG 31 -2.815 -16.029 6.529 238 2HD ARG 31 HD1 ARG 31 -1.464 -16.070 5.395 239 HE ARG 31 HE ARG 31 -1.318 -16.649 8.289 240 1HH1 ARG 31 HH11 ARG 31 0.316 -16.053 5.281 241 2HH1 ARG 31 HH12 ARG 31 1.804 -16.763 5.811 242 1HH2 ARG 31 HH21 ARG 31 0.618 -17.567 8.966 243 2HH2 ARG 31 HH22 ARG 31 1.973 -17.617 7.887 244 H ALA 32 HN ALA 32 1.637 -11.336 6.311 245 HA ALA 32 HA ALA 32 0.673 -10.722 8.992 246 1HB ALA 32 HB1 ALA 32 3.048 -11.377 8.442 247 2HB ALA 32 HB3 ALA 32 3.240 -9.802 7.670 248 3HB ALA 32 HB2 ALA 32 2.912 -9.901 9.400 249 H GLN 33 HN GLN 33 1.087 -8.976 5.981 250 HA GLN 33 HA GLN 33 0.422 -6.410 7.338 251 1HB GLN 33 HB2 GLN 33 1.522 -7.093 4.608 252 2HB GLN 33 HB1 GLN 33 0.897 -5.486 4.981 253 1HG GLN 33 HG2 GLN 33 3.014 -6.862 6.652 254 2HG GLN 33 HG1 GLN 33 3.396 -5.765 5.325 255 1HE2 GLN 33 HE22 GLN 33 2.798 -4.095 8.819 256 2HE2 GLN 33 HE21 GLN 33 3.414 -5.650 8.529 257 H THR 34 HN THR 34 -1.573 -8.506 7.025 258 HA THR 34 HA THR 34 -3.548 -6.965 5.422 259 HB THR 34 HB THR 34 -4.451 -9.221 4.606 260 HG1 THR 34 HG1 THR 34 -2.134 -10.463 4.557 261 1HG2 THR 34 HG22 THR 34 -1.766 -8.167 3.690 262 2HG2 THR 34 HG21 THR 34 -2.703 -9.357 2.786 263 3HG2 THR 34 HG23 THR 34 -3.356 -7.741 3.055 264 H VAL 35 HN VAL 35 -2.868 -9.409 7.879 265 HA VAL 35 HA VAL 35 -5.594 -9.733 8.765 266 HB VAL 35 HB VAL 35 -4.528 -10.685 10.827 267 1HG1 VAL 35 HG11 VAL 35 -3.503 -11.559 8.115 268 2HG1 VAL 35 HG13 VAL 35 -3.276 -12.508 9.583 269 3HG1 VAL 35 HG12 VAL 35 -4.903 -12.185 8.984 270 1HG2 VAL 35 HG23 VAL 35 -2.026 -9.725 9.411 271 2HG2 VAL 35 HG22 VAL 35 -2.576 -9.283 11.027 272 3HG2 VAL 35 HG21 VAL 35 -2.003 -10.921 10.707 273 H GLY 36 HN GLY 36 -6.799 -8.343 9.955 274 1HA GLY 36 HA2 GLY 36 -7.296 -6.707 11.598 275 2HA GLY 36 HA1 GLY 36 -5.571 -6.572 11.940 276 H LYS 37 HN LYS 37 -7.020 -6.279 8.733 277 HA LYS 37 HA LYS 37 -6.855 -3.348 8.761 278 1HB LYS 37 HB2 LYS 37 -4.868 -5.075 7.288 279 2HB LYS 37 HB1 LYS 37 -5.279 -3.462 6.702 280 1HG LYS 37 HG2 LYS 37 -4.769 -2.649 9.089 281 2HG LYS 37 HG1 LYS 37 -4.013 -4.223 9.337 282 1HD LYS 37 HD2 LYS 37 -2.663 -3.749 7.215 283 2HD LYS 37 HD1 LYS 37 -3.239 -2.087 7.343 284 1HE LYS 37 HE2 LYS 37 -1.054 -2.308 8.439 285 2HE LYS 37 HE1 LYS 37 -2.300 -1.953 9.635 286 1HZ LYS 37 HZ1 LYS 37 -1.718 -4.758 9.035 287 2HZ LYS 37 HZ3 LYS 37 -0.596 -3.900 9.975 288 3HZ LYS 37 HZ2 LYS 37 -2.208 -4.041 10.495 289 H ILE 38 HN ILE 38 -7.509 -2.477 6.558 290 HA ILE 38 HA ILE 38 -9.672 -4.179 5.477 291 HB ILE 38 HB ILE 38 -8.953 -1.314 4.783 292 1HG1 ILE 38 HG12 ILE 38 -11.061 -2.320 6.718 293 2HG1 ILE 38 HG11 ILE 38 -9.485 -1.710 7.222 294 1HG2 ILE 38 HG23 ILE 38 -10.374 -2.503 3.135 295 2HG2 ILE 38 HG22 ILE 38 -11.508 -2.912 4.423 296 3HG2 ILE 38 HG21 ILE 38 -11.269 -1.227 3.960 297 1HD1 ILE 38 HD11 ILE 38 -10.124 0.366 5.743 298 2HD1 ILE 38 HD13 ILE 38 -11.772 -0.224 5.964 299 3HD1 ILE 38 HD12 ILE 38 -10.797 0.215 7.367 300 H MET 39 HN MET 39 -8.844 -5.638 4.019 301 HA MET 39 HA MET 39 -6.634 -5.036 2.246 302 1HB MET 39 HB2 MET 39 -7.408 -7.350 3.069 303 2HB MET 39 HB1 MET 39 -8.662 -7.238 1.834 304 1HG MET 39 HG2 MET 39 -5.837 -6.660 1.036 305 2HG MET 39 HG1 MET 39 -6.307 -8.341 1.286 306 1HE MET 39 HE1 MET 39 -8.249 -9.347 0.536 307 2HE MET 39 HE3 MET 39 -9.025 -9.131 -1.039 308 3HE MET 39 HE2 MET 39 -7.372 -9.731 -0.943 309 H VAL 40 HN VAL 40 -6.706 -4.107 0.249 310 HA VAL 40 HA VAL 40 -9.340 -3.910 -1.138 311 HB VAL 40 HB VAL 40 -7.363 -1.625 -0.876 312 1HG1 VAL 40 HG12 VAL 40 -8.804 -1.754 -2.950 313 2HG1 VAL 40 HG11 VAL 40 -10.215 -1.646 -1.898 314 3HG1 VAL 40 HG13 VAL 40 -9.065 -0.311 -1.971 315 1HG2 VAL 40 HG21 VAL 40 -9.914 -2.287 0.603 316 2HG2 VAL 40 HG23 VAL 40 -8.341 -1.864 1.278 317 3HG2 VAL 40 HG22 VAL 40 -9.318 -0.632 0.479 318 H VAL 41 HN VAL 41 -9.058 -4.903 -3.067 319 HA VAL 41 HA VAL 41 -6.532 -4.381 -4.569 320 HB VAL 41 HB VAL 41 -6.612 -6.761 -5.357 321 1HG1 VAL 41 HG13 VAL 41 -6.194 -5.992 -2.489 322 2HG1 VAL 41 HG12 VAL 41 -6.058 -7.691 -2.942 323 3HG1 VAL 41 HG11 VAL 41 -5.009 -6.491 -3.695 324 1HG2 VAL 41 HG22 VAL 41 -9.115 -6.917 -4.666 325 2HG2 VAL 41 HG21 VAL 41 -8.094 -8.329 -4.399 326 3HG2 VAL 41 HG23 VAL 41 -8.493 -7.263 -3.052 327 H GLY 42 HN GLY 42 -6.984 -5.453 -6.935 328 1HA GLY 42 HA2 GLY 42 -9.390 -4.033 -7.906 329 2HA GLY 42 HA1 GLY 42 -8.084 -4.661 -8.912 330 H ARG 43 HN ARG 43 -10.227 -5.393 -10.056 331 HA ARG 43 HA ARG 43 -11.588 -7.697 -8.905 332 1HB ARG 43 HB2 ARG 43 -12.492 -6.025 -10.666 333 2HB ARG 43 HB1 ARG 43 -11.572 -6.974 -11.835 334 1HG ARG 43 HG2 ARG 43 -12.757 -9.030 -10.802 335 2HG ARG 43 HG1 ARG 43 -13.877 -7.860 -10.103 336 1HD ARG 43 HD2 ARG 43 -14.869 -8.482 -12.169 337 2HD ARG 43 HD1 ARG 43 -14.117 -6.918 -12.484 338 HE ARG 43 HE ARG 43 -12.286 -9.069 -13.082 339 1HH1 ARG 43 HH11 ARG 43 -15.088 -7.375 -14.246 340 2HH1 ARG 43 HH12 ARG 43 -14.753 -7.720 -15.910 341 1HH2 ARG 43 HH21 ARG 43 -11.862 -9.510 -15.245 342 2HH2 ARG 43 HH22 ARG 43 -12.935 -8.924 -16.471 343 H ARG 44 HN ARG 44 -8.994 -7.190 -11.271 344 HA ARG 44 HA ARG 44 -8.769 -9.960 -12.050 345 1HB ARG 44 HB2 ARG 44 -6.885 -7.599 -12.216 346 2HB ARG 44 HB1 ARG 44 -6.438 -9.201 -12.803 347 1HG ARG 44 HG2 ARG 44 -8.507 -9.185 -14.229 348 2HG ARG 44 HG1 ARG 44 -8.776 -7.513 -13.736 349 1HD ARG 44 HD2 ARG 44 -6.748 -6.782 -14.769 350 2HD ARG 44 HD1 ARG 44 -6.188 -8.440 -14.997 351 HE ARG 44 HE ARG 44 -7.677 -8.655 -16.859 352 1HH1 ARG 44 HH11 ARG 44 -8.039 -5.633 -15.182 353 2HH1 ARG 44 HH12 ARG 44 -8.987 -4.912 -16.441 354 1HH2 ARG 44 HH21 ARG 44 -8.907 -7.709 -18.485 355 2HH2 ARG 44 HH22 ARG 44 -9.475 -6.082 -18.301 356 H THR 45 HN THR 45 -7.120 -7.956 -9.614 357 HA THR 45 HA THR 45 -5.323 -10.043 -8.740 358 HB THR 45 HB THR 45 -6.292 -7.691 -7.097 359 HG1 THR 45 HG1 THR 45 -5.594 -6.810 -8.972 360 1HG2 THR 45 HG23 THR 45 -3.781 -9.380 -7.132 361 2HG2 THR 45 HG22 THR 45 -3.920 -7.869 -6.233 362 3HG2 THR 45 HG21 THR 45 -4.958 -9.237 -5.826 363 H TYR 46 HN TYR 46 -8.630 -9.199 -8.003 364 HA TYR 46 HA TYR 46 -8.879 -10.566 -5.497 365 1HB TYR 46 HB2 TYR 46 -10.541 -8.948 -6.657 366 2HB TYR 46 HB1 TYR 46 -11.103 -10.375 -7.527 367 HD1 TYR 46 HD2 TYR 46 -10.226 -9.358 -4.019 368 HD2 TYR 46 HD1 TYR 46 -12.847 -11.592 -6.586 369 HE1 TYR 46 HE2 TYR 46 -11.582 -10.026 -2.052 370 HE2 TYR 46 HE1 TYR 46 -14.202 -12.261 -4.619 371 HH TYR 46 HH TYR 46 -13.172 -11.512 -1.338 372 H GLU 47 HN GLU 47 -9.466 -11.637 -8.852 373 HA GLU 47 HA GLU 47 -10.045 -14.377 -7.986 374 1HB GLU 47 HB2 GLU 47 -9.801 -12.998 -10.657 375 2HB GLU 47 HB1 GLU 47 -9.903 -14.756 -10.553 376 1HG GLU 47 HG2 GLU 47 -12.057 -14.699 -9.598 377 2HG GLU 47 HG1 GLU 47 -11.898 -13.008 -9.121 378 H SER 48 HN SER 48 -7.271 -12.536 -8.994 379 HA SER 48 HA SER 48 -5.590 -14.666 -9.896 380 1HB SER 48 HB2 SER 48 -4.954 -12.008 -8.594 381 2HB SER 48 HB1 SER 48 -3.715 -13.098 -9.207 382 HG SER 48 HG SER 48 -5.547 -12.888 -11.082 383 H PHE 49 HN PHE 49 -6.682 -13.767 -6.733 384 HA PHE 49 HA PHE 49 -4.566 -14.840 -5.144 385 1HB PHE 49 HB2 PHE 49 -7.522 -14.448 -4.668 386 2HB PHE 49 HB1 PHE 49 -6.488 -15.186 -3.445 387 HD1 PHE 49 HD1 PHE 49 -4.076 -13.833 -3.290 388 HD2 PHE 49 HD2 PHE 49 -7.894 -12.176 -4.353 389 HE1 PHE 49 HE1 PHE 49 -3.296 -11.585 -2.590 390 HE2 PHE 49 HE2 PHE 49 -7.114 -9.929 -3.654 391 HZ PHE 49 HZ PHE 49 -4.815 -9.633 -2.772 392 HA PRO 50 HA PRO 50 -5.140 -19.233 -5.541 393 1HB PRO 50 HB2 PRO 50 -4.349 -19.977 -2.959 394 2HB PRO 50 HB1 PRO 50 -3.273 -19.694 -4.334 395 1HG PRO 50 HG2 PRO 50 -3.538 -18.135 -1.948 396 2HG PRO 50 HG1 PRO 50 -2.446 -17.873 -3.315 397 1HD PRO 50 HD2 PRO 50 -4.935 -16.488 -2.658 398 2HD PRO 50 HD1 PRO 50 -3.672 -16.034 -3.814 399 H LYS 51 HN LYS 51 -5.926 -18.678 -2.101 400 HA LYS 51 HA LYS 51 -8.507 -20.109 -2.566 401 1HB LYS 51 HB2 LYS 51 -6.702 -19.853 -0.161 402 2HB LYS 51 HB1 LYS 51 -8.388 -20.340 0.013 403 1HG LYS 51 HG2 LYS 51 -6.577 -21.716 -1.966 404 2HG LYS 51 HG1 LYS 51 -6.613 -22.210 -0.274 405 1HD LYS 51 HD2 LYS 51 -9.129 -22.421 -0.492 406 2HD LYS 51 HD1 LYS 51 -8.924 -22.191 -2.228 407 1HE LYS 51 HE2 LYS 51 -7.740 -24.205 -2.483 408 2HE LYS 51 HE1 LYS 51 -7.334 -24.291 -0.770 409 1HZ LYS 51 HZ3 LYS 51 -9.719 -24.612 -0.309 410 2HZ LYS 51 HZ2 LYS 51 -10.019 -24.664 -1.981 411 3HZ LYS 51 HZ1 LYS 51 -9.058 -25.860 -1.249 412 H ARG 52 HN ARG 52 -9.747 -18.283 -3.179 413 HA ARG 52 HA ARG 52 -9.905 -16.035 -1.236 414 1HB ARG 52 HB2 ARG 52 -11.266 -14.938 -3.038 415 2HB ARG 52 HB1 ARG 52 -9.633 -15.357 -3.556 416 1HG ARG 52 HG2 ARG 52 -10.541 -17.482 -4.523 417 2HG ARG 52 HG1 ARG 52 -12.166 -16.924 -4.122 418 1HD ARG 52 HD2 ARG 52 -11.734 -14.869 -5.497 419 2HD ARG 52 HD1 ARG 52 -10.198 -15.579 -5.995 420 HE ARG 52 HE ARG 52 -12.806 -16.300 -7.024 421 1HH1 ARG 52 HH11 ARG 52 -9.656 -17.523 -6.215 422 2HH1 ARG 52 HH12 ARG 52 -9.739 -18.827 -7.353 423 1HH2 ARG 52 HH21 ARG 52 -12.902 -17.996 -8.496 424 2HH2 ARG 52 HH22 ARG 52 -11.569 -19.092 -8.637 425 HA PRO 53 HA PRO 53 -11.488 -14.315 -1.154 426 1HB PRO 53 HB2 PRO 53 -13.045 -13.528 1.038 427 2HB PRO 53 HB1 PRO 53 -13.461 -13.300 -0.667 428 1HG PRO 53 HG2 PRO 53 -14.720 -15.019 1.244 429 2HG PRO 53 HG1 PRO 53 -15.141 -14.776 -0.457 430 1HD PRO 53 HD2 PRO 53 -13.700 -16.999 0.784 431 2HD PRO 53 HD1 PRO 53 -14.432 -16.898 -0.825 432 H LEU 54 HN LEU 54 -10.220 -13.119 0.464 433 HA LEU 54 HA LEU 54 -8.785 -14.915 2.270 434 1HB LEU 54 HB2 LEU 54 -8.493 -11.926 1.858 435 2HB LEU 54 HB1 LEU 54 -7.348 -12.974 2.693 436 HG LEU 54 HG LEU 54 -8.168 -13.320 -0.205 437 1HD1 LEU 54 HD11 LEU 54 -6.775 -11.214 0.541 438 2HD1 LEU 54 HD13 LEU 54 -5.463 -12.381 0.703 439 3HD1 LEU 54 HD12 LEU 54 -6.254 -12.155 -0.857 440 1HD2 LEU 54 HD23 LEU 54 -6.091 -14.615 1.583 441 2HD2 LEU 54 HD22 LEU 54 -7.424 -15.403 0.738 442 3HD2 LEU 54 HD21 LEU 54 -6.063 -14.754 -0.176 443 HA PRO 55 HA PRO 55 -11.599 -13.704 5.638 444 1HB PRO 55 HB2 PRO 55 -10.664 -15.739 7.327 445 2HB PRO 55 HB1 PRO 55 -12.061 -15.840 6.246 446 1HG PRO 55 HG2 PRO 55 -9.566 -17.223 6.041 447 2HG PRO 55 HG1 PRO 55 -10.970 -17.330 4.971 448 1HD PRO 55 HD2 PRO 55 -8.453 -15.905 4.562 449 2HD PRO 55 HD1 PRO 55 -9.719 -16.298 3.390 450 H GLU 56 HN GLU 56 -11.080 -13.541 8.172 451 HA GLU 56 HA GLU 56 -9.850 -12.438 9.833 452 1HB GLU 56 HB2 GLU 56 -7.427 -13.333 8.243 453 2HB GLU 56 HB1 GLU 56 -7.469 -12.882 9.947 454 1HG GLU 56 HG2 GLU 56 -9.121 -15.158 8.832 455 2HG GLU 56 HG1 GLU 56 -7.488 -15.390 9.462 456 H ARG 57 HN ARG 57 -10.665 -11.041 7.339 457 HA ARG 57 HA ARG 57 -9.395 -8.526 7.814 458 1HB ARG 57 HB2 ARG 57 -8.159 -8.309 5.654 459 2HB ARG 57 HB1 ARG 57 -7.451 -9.520 6.723 460 1HG ARG 57 HG2 ARG 57 -9.021 -11.184 5.445 461 2HG ARG 57 HG1 ARG 57 -9.055 -9.924 4.212 462 1HD ARG 57 HD2 ARG 57 -7.211 -11.160 3.518 463 2HD ARG 57 HD1 ARG 57 -6.435 -9.952 4.545 464 HE ARG 57 HE ARG 57 -7.052 -12.074 6.257 465 1HH1 ARG 57 HH21 ARG 57 -5.221 -11.610 3.339 466 2HH1 ARG 57 HH22 ARG 57 -4.090 -12.869 3.708 467 1HH2 ARG 57 HH11 ARG 57 -5.577 -13.705 6.723 468 2HH2 ARG 57 HH12 ARG 57 -4.291 -14.049 5.614 469 H THR 58 HN THR 58 -9.974 -6.955 5.912 470 HA THR 58 HA THR 58 -12.775 -7.556 5.150 471 HB THR 58 HB THR 58 -11.327 -4.953 4.662 472 HG1 THR 58 HG1 THR 58 -12.085 -4.363 6.748 473 1HG2 THR 58 HG21 THR 58 -13.617 -5.413 3.704 474 2HG2 THR 58 HG23 THR 58 -14.212 -5.546 5.358 475 3HG2 THR 58 HG22 THR 58 -13.544 -4.019 4.782 476 H ASN 59 HN ASN 59 -13.142 -8.385 3.161 477 HA ASN 59 HA ASN 59 -11.072 -8.155 1.066 478 1HB ASN 59 HB2 ASN 59 -13.723 -9.633 1.100 479 2HB ASN 59 HB1 ASN 59 -12.514 -9.739 -0.181 480 1HD2 ASN 59 HD22 ASN 59 -10.145 -11.242 2.331 481 2HD2 ASN 59 HD21 ASN 59 -10.148 -9.794 1.446 482 H VAL 60 HN VAL 60 -11.178 -6.075 0.229 483 HA VAL 60 HA VAL 60 -13.844 -5.114 -0.717 484 HB VAL 60 HB VAL 60 -11.273 -3.537 -0.392 485 1HG1 VAL 60 HG13 VAL 60 -14.159 -2.765 -0.908 486 2HG1 VAL 60 HG12 VAL 60 -12.901 -1.612 -0.467 487 3HG1 VAL 60 HG11 VAL 60 -12.782 -2.509 -1.980 488 1HG2 VAL 60 HG23 VAL 60 -13.611 -4.027 1.458 489 2HG2 VAL 60 HG22 VAL 60 -11.888 -4.167 1.811 490 3HG2 VAL 60 HG21 VAL 60 -12.617 -2.576 1.597 491 H VAL 61 HN VAL 61 -14.119 -4.584 -2.897 492 HA VAL 61 HA VAL 61 -11.790 -5.028 -4.710 493 HB VAL 61 HB VAL 61 -14.587 -6.095 -5.201 494 1HG1 VAL 61 HG13 VAL 61 -11.955 -6.509 -6.655 495 2HG1 VAL 61 HG12 VAL 61 -13.489 -7.274 -7.072 496 3HG1 VAL 61 HG11 VAL 61 -13.302 -5.529 -7.233 497 1HG2 VAL 61 HG23 VAL 61 -12.056 -7.427 -4.204 498 2HG2 VAL 61 HG22 VAL 61 -13.644 -7.413 -3.435 499 3HG2 VAL 61 HG21 VAL 61 -13.390 -8.334 -4.918 500 H LEU 62 HN LEU 62 -11.563 -3.325 -6.066 501 HA LEU 62 HA LEU 62 -13.807 -1.398 -6.319 502 1HB LEU 62 HB2 LEU 62 -11.429 -0.685 -5.712 503 2HB LEU 62 HB1 LEU 62 -10.988 -1.081 -7.373 504 HG LEU 62 HG LEU 62 -13.002 0.438 -8.023 505 1HD1 LEU 62 HD13 LEU 62 -12.514 1.145 -5.128 506 2HD1 LEU 62 HD12 LEU 62 -13.194 2.314 -6.261 507 3HD1 LEU 62 HD11 LEU 62 -14.049 0.808 -5.929 508 1HD2 LEU 62 HD23 LEU 62 -10.389 1.449 -6.872 509 2HD2 LEU 62 HD22 LEU 62 -10.756 1.099 -8.561 510 3HD2 LEU 62 HD21 LEU 62 -11.505 2.483 -7.765 511 H THR 63 HN THR 63 -15.152 -1.799 -8.004 512 HA THR 63 HA THR 63 -13.940 -2.364 -10.663 513 HB THR 63 HB THR 63 -14.625 -4.550 -9.838 514 HG1 THR 63 HG1 THR 63 -16.376 -4.920 -11.380 515 1HG2 THR 63 HG22 THR 63 -17.187 -3.096 -9.177 516 2HG2 THR 63 HG21 THR 63 -17.119 -4.854 -9.318 517 3HG2 THR 63 HG23 THR 63 -16.152 -4.029 -8.096 518 H HIS 64 HN HIS 64 -15.239 -1.613 -12.422 519 HA HIS 64 HA HIS 64 -17.136 0.520 -11.649 520 1HB HIS 64 HB2 HIS 64 -15.852 -0.246 -14.284 521 2HB HIS 64 HB1 HIS 64 -17.036 1.051 -14.126 522 HD1 HIS 64 HD1 HIS 64 -13.481 0.451 -13.956 523 HD2 HIS 64 HD2 HIS 64 -16.117 3.057 -12.048 524 HE1 HIS 64 HE1 HIS 64 -12.067 2.307 -12.974 525 H GLN 65 HN GLN 65 -17.072 -2.567 -13.359 526 HA GLN 65 HA GLN 65 -19.818 -2.364 -14.308 527 1HB GLN 65 HB2 GLN 65 -17.933 -4.727 -14.047 528 2HB GLN 65 HB1 GLN 65 -19.519 -4.803 -14.815 529 1HG GLN 65 HG2 GLN 65 -17.477 -2.761 -15.681 530 2HG GLN 65 HG1 GLN 65 -17.456 -4.399 -16.336 531 1HE2 GLN 65 HE22 GLN 65 -20.839 -3.922 -17.769 532 2HE2 GLN 65 HE21 GLN 65 -20.080 -5.041 -16.743 533 H GLU 66 HN GLU 66 -21.596 -2.676 -13.073 534 HA GLU 66 HA GLU 66 -21.321 -3.688 -10.330 535 1HB GLU 66 HB2 GLU 66 -22.851 -1.759 -11.117 536 2HB GLU 66 HB1 GLU 66 -23.918 -3.028 -11.720 537 1HG GLU 66 HG2 GLU 66 -24.339 -3.874 -9.573 538 2HG GLU 66 HG1 GLU 66 -22.889 -3.135 -8.894 539 H ASP 67 HN ASP 67 -20.855 -5.524 -12.623 540 HA ASP 67 HA ASP 67 -23.142 -7.410 -12.344 541 1HB ASP 67 HB2 ASP 67 -20.807 -7.267 -14.265 542 2HB ASP 67 HB1 ASP 67 -21.881 -8.664 -14.179 543 H TYR 68 HN TYR 68 -19.678 -7.090 -11.727 544 HA TYR 68 HA TYR 68 -19.260 -9.821 -10.891 545 1HB TYR 68 HB2 TYR 68 -17.491 -8.060 -11.547 546 2HB TYR 68 HB1 TYR 68 -17.673 -7.450 -9.902 547 HD1 TYR 68 HD2 TYR 68 -16.642 -10.347 -11.958 548 HD2 TYR 68 HD1 TYR 68 -16.883 -8.711 -7.993 549 HE1 TYR 68 HE2 TYR 68 -15.149 -12.144 -11.126 550 HE2 TYR 68 HE1 TYR 68 -15.389 -10.507 -7.161 551 HH TYR 68 HH TYR 68 -14.062 -12.207 -7.739 552 H GLN 69 HN GLN 69 -19.565 -10.748 -8.894 553 HA GLN 69 HA GLN 69 -20.228 -8.993 -6.586 554 1HB GLN 69 HB2 GLN 69 -21.930 -11.332 -7.505 555 2HB GLN 69 HB1 GLN 69 -22.184 -10.397 -6.031 556 1HG GLN 69 HG2 GLN 69 -22.514 -8.356 -7.373 557 2HG GLN 69 HG1 GLN 69 -22.252 -9.283 -8.851 558 1HE2 GLN 69 HE22 GLN 69 -25.766 -9.802 -6.778 559 2HE2 GLN 69 HE21 GLN 69 -24.415 -9.162 -5.975 560 H ALA 70 HN ALA 70 -18.513 -9.579 -5.305 561 HA ALA 70 HA ALA 70 -17.636 -12.386 -5.164 562 1HB ALA 70 HB1 ALA 70 -16.673 -9.809 -3.920 563 2HB ALA 70 HB3 ALA 70 -16.035 -11.372 -3.413 564 3HB ALA 70 HB2 ALA 70 -15.839 -10.840 -5.083 565 H GLN 71 HN GLN 71 -18.603 -13.783 -3.789 566 HA GLN 71 HA GLN 71 -20.478 -12.920 -1.762 567 1HB GLN 71 HB2 GLN 71 -19.198 -15.613 -2.315 568 2HB GLN 71 HB1 GLN 71 -20.475 -15.354 -1.126 569 1HG GLN 71 HG2 GLN 71 -21.917 -14.423 -2.945 570 2HG GLN 71 HG1 GLN 71 -20.658 -14.841 -4.108 571 1HE2 GLN 71 HE22 GLN 71 -22.446 -18.015 -2.183 572 2HE2 GLN 71 HE21 GLN 71 -22.101 -16.607 -1.301 573 H GLY 72 HN GLY 72 -20.037 -12.336 0.305 574 1HA GLY 72 HA2 GLY 72 -18.935 -12.284 2.396 575 2HA GLY 72 HA1 GLY 72 -17.814 -13.507 1.796 576 H ALA 73 HN ALA 73 -18.534 -10.375 0.295 577 HA ALA 73 HA ALA 73 -16.009 -9.200 1.215 578 1HB ALA 73 HB2 ALA 73 -16.409 -10.140 -1.629 579 2HB ALA 73 HB1 ALA 73 -15.278 -8.847 -1.228 580 3HB ALA 73 HB3 ALA 73 -15.047 -10.460 -0.556 581 H VAL 74 HN VAL 74 -15.976 -6.943 0.879 582 HA VAL 74 HA VAL 74 -18.595 -5.760 0.232 583 HB VAL 74 HB VAL 74 -16.024 -4.384 1.064 584 1HG1 VAL 74 HG12 VAL 74 -18.937 -3.537 1.105 585 2HG1 VAL 74 HG11 VAL 74 -17.611 -2.610 1.809 586 3HG1 VAL 74 HG13 VAL 74 -17.673 -2.879 0.067 587 1HG2 VAL 74 HG21 VAL 74 -18.331 -5.470 2.711 588 2HG2 VAL 74 HG23 VAL 74 -16.652 -6.009 2.767 589 3HG2 VAL 74 HG22 VAL 74 -17.081 -4.397 3.341 590 H VAL 75 HN VAL 75 -18.851 -5.840 -2.003 591 HA VAL 75 HA VAL 75 -16.695 -5.119 -3.830 592 HB VAL 75 HB VAL 75 -19.664 -5.369 -4.400 593 1HG1 VAL 75 HG13 VAL 75 -18.140 -4.240 -6.101 594 2HG1 VAL 75 HG12 VAL 75 -17.297 -5.784 -6.242 595 3HG1 VAL 75 HG11 VAL 75 -19.000 -5.665 -6.685 596 1HG2 VAL 75 HG23 VAL 75 -17.442 -7.413 -4.238 597 2HG2 VAL 75 HG22 VAL 75 -19.026 -7.458 -3.462 598 3HG2 VAL 75 HG21 VAL 75 -18.891 -7.695 -5.204 599 H VAL 76 HN VAL 76 -16.057 -2.989 -3.472 600 HA VAL 76 HA VAL 76 -18.067 -0.852 -3.255 601 HB VAL 76 HB VAL 76 -16.047 0.632 -3.136 602 1HG1 VAL 76 HG12 VAL 76 -16.125 -1.797 -1.322 603 2HG1 VAL 76 HG11 VAL 76 -15.201 -0.335 -0.976 604 3HG1 VAL 76 HG13 VAL 76 -16.961 -0.263 -1.073 605 1HG2 VAL 76 HG22 VAL 76 -14.613 -2.026 -3.430 606 2HG2 VAL 76 HG21 VAL 76 -14.535 -0.663 -4.547 607 3HG2 VAL 76 HG23 VAL 76 -13.834 -0.523 -2.934 608 H HIS 77 HN HIS 77 -18.126 0.952 -4.780 609 HA HIS 77 HA HIS 77 -17.008 0.347 -7.478 610 1HB HIS 77 HB2 HIS 77 -19.876 1.150 -6.892 611 2HB HIS 77 HB1 HIS 77 -19.170 0.998 -8.502 612 HD1 HIS 77 HD1 HIS 77 -19.037 -1.322 -9.500 613 HD2 HIS 77 HD2 HIS 77 -20.013 -1.400 -5.448 614 HE1 HIS 77 HE1 HIS 77 -19.633 -3.722 -8.953 615 H ASP 78 HN ASP 78 -16.286 2.267 -5.330 616 HA ASP 78 HA ASP 78 -15.970 4.619 -6.979 617 1HB ASP 78 HB2 ASP 78 -18.408 4.728 -6.107 618 2HB ASP 78 HB1 ASP 78 -17.682 5.073 -4.537 619 H VAL 79 HN VAL 79 -14.453 6.068 -6.047 620 HA VAL 79 HA VAL 79 -12.685 4.925 -4.078 621 HB VAL 79 HB VAL 79 -12.813 7.803 -5.024 622 1HG1 VAL 79 HG13 VAL 79 -11.397 7.301 -3.014 623 2HG1 VAL 79 HG12 VAL 79 -10.493 6.146 -3.993 624 3HG1 VAL 79 HG11 VAL 79 -10.464 7.861 -4.402 625 1HG2 VAL 79 HG22 VAL 79 -11.485 5.349 -6.206 626 2HG2 VAL 79 HG21 VAL 79 -12.670 6.402 -6.978 627 3HG2 VAL 79 HG23 VAL 79 -11.041 6.995 -6.653 628 H ALA 80 HN ALA 80 -15.280 7.314 -3.947 629 HA ALA 80 HA ALA 80 -14.733 8.198 -1.248 630 1HB ALA 80 HB3 ALA 80 -16.141 9.424 -2.976 631 2HB ALA 80 HB2 ALA 80 -17.411 8.241 -2.661 632 3HB ALA 80 HB1 ALA 80 -16.860 9.308 -1.369 633 H ALA 81 HN ALA 81 -16.573 5.556 -2.660 634 HA ALA 81 HA ALA 81 -18.061 4.849 -0.301 635 1HB ALA 81 HB3 ALA 81 -18.441 4.061 -2.725 636 2HB ALA 81 HB2 ALA 81 -17.154 2.895 -2.421 637 3HB ALA 81 HB1 ALA 81 -18.630 2.852 -1.455 638 H VAL 82 HN VAL 82 -14.866 3.937 -1.533 639 HA VAL 82 HA VAL 82 -14.362 1.899 0.450 640 HB VAL 82 HB VAL 82 -12.340 3.575 -1.068 641 1HG1 VAL 82 HG11 VAL 82 -12.208 0.831 0.221 642 2HG1 VAL 82 HG13 VAL 82 -10.931 1.539 -0.767 643 3HG1 VAL 82 HG12 VAL 82 -11.373 2.284 0.770 644 1HG2 VAL 82 HG22 VAL 82 -14.040 1.224 -1.847 645 2HG2 VAL 82 HG21 VAL 82 -13.603 2.644 -2.797 646 3HG2 VAL 82 HG23 VAL 82 -12.416 1.370 -2.517 647 H PHE 83 HN PHE 83 -13.635 5.373 0.250 648 HA PHE 83 HA PHE 83 -12.165 5.448 2.747 649 1HB PHE 83 HB2 PHE 83 -13.393 7.537 0.951 650 2HB PHE 83 HB1 PHE 83 -12.709 7.978 2.516 651 HD1 PHE 83 HD1 PHE 83 -10.338 6.639 2.955 652 HD2 PHE 83 HD2 PHE 83 -11.951 7.815 -0.849 653 HE1 PHE 83 HE1 PHE 83 -8.061 6.593 1.975 654 HE2 PHE 83 HE2 PHE 83 -9.673 7.768 -1.829 655 HZ PHE 83 HZ PHE 83 -7.728 7.158 -0.417 656 H ALA 84 HN ALA 84 -15.541 5.738 1.836 657 HA ALA 84 HA ALA 84 -16.501 6.916 4.274 658 1HB ALA 84 HB3 ALA 84 -17.744 6.632 2.035 659 2HB ALA 84 HB2 ALA 84 -18.074 4.983 2.567 660 3HB ALA 84 HB1 ALA 84 -18.674 6.349 3.506 661 H TYR 85 HN TYR 85 -15.908 3.572 3.270 662 HA TYR 85 HA TYR 85 -17.116 2.339 5.577 663 1HB TYR 85 HB2 TYR 85 -16.503 1.208 3.370 664 2HB TYR 85 HB1 TYR 85 -14.835 1.202 3.945 665 HD1 TYR 85 HD1 TYR 85 -18.252 -0.077 4.567 666 HD2 TYR 85 HD2 TYR 85 -14.121 -0.257 5.734 667 HE1 TYR 85 HE1 TYR 85 -18.719 -2.109 5.908 668 HE2 TYR 85 HE2 TYR 85 -14.589 -2.290 7.075 669 HH TYR 85 HH TYR 85 -16.655 -4.225 6.819 670 H ALA 86 HN ALA 86 -13.811 3.406 4.825 671 HA ALA 86 HA ALA 86 -12.629 2.400 7.253 672 1HB ALA 86 HB1 ALA 86 -11.431 3.146 5.103 673 2HB ALA 86 HB3 ALA 86 -11.639 4.794 5.698 674 3HB ALA 86 HB2 ALA 86 -10.693 3.633 6.630 675 H LYS 87 HN LYS 87 -14.348 5.341 6.415 676 HA LYS 87 HA LYS 87 -13.560 6.906 8.694 677 1HB LYS 87 HB2 LYS 87 -14.740 7.721 6.571 678 2HB LYS 87 HB1 LYS 87 -16.228 7.088 7.279 679 1HG LYS 87 HG2 LYS 87 -15.830 8.498 9.295 680 2HG LYS 87 HG1 LYS 87 -14.411 9.185 8.505 681 1HD LYS 87 HD2 LYS 87 -16.054 10.754 7.966 682 2HD LYS 87 HD1 LYS 87 -16.090 9.699 6.552 683 1HE LYS 87 HE2 LYS 87 -17.920 8.381 7.723 684 2HE LYS 87 HE1 LYS 87 -17.983 9.680 8.913 685 1HZ LYS 87 HZ2 LYS 87 -18.273 11.214 6.948 686 2HZ LYS 87 HZ1 LYS 87 -18.568 9.824 6.017 687 3HZ LYS 87 HZ3 LYS 87 -19.592 10.207 7.314 688 H GLN 88 HN GLN 88 -16.147 4.553 8.143 689 HA GLN 88 HA GLN 88 -17.450 5.023 10.695 690 1HB GLN 88 HB2 GLN 88 -18.516 3.972 8.632 691 2HB GLN 88 HB1 GLN 88 -17.606 2.509 9.016 692 1HG GLN 88 HG2 GLN 88 -18.779 2.142 11.008 693 2HG GLN 88 HG1 GLN 88 -19.287 3.826 11.133 694 1HE2 GLN 88 HE22 GLN 88 -21.805 3.346 8.477 695 2HE2 GLN 88 HE21 GLN 88 -20.541 4.425 8.818 696 H HIS 89 HN HIS 89 -14.811 3.020 9.570 697 HA HIS 89 HA HIS 89 -14.584 1.865 12.323 698 1HB HIS 89 HB2 HIS 89 -13.946 0.686 9.617 699 2HB HIS 89 HB1 HIS 89 -13.225 0.045 11.092 700 HD1 HIS 89 HD1 HIS 89 -14.538 -1.828 12.062 701 HD2 HIS 89 HD2 HIS 89 -17.001 0.884 10.071 702 HE1 HIS 89 HE1 HIS 89 -16.898 -2.726 12.257 703 HA PRO 90 HA PRO 90 -10.831 4.481 11.745 704 1HB PRO 90 HB2 PRO 90 -10.948 5.431 14.375 705 2HB PRO 90 HB1 PRO 90 -11.562 6.268 12.942 706 1HG PRO 90 HG2 PRO 90 -13.056 5.134 15.107 707 2HG PRO 90 HG1 PRO 90 -13.664 5.997 13.688 708 1HD PRO 90 HD2 PRO 90 -13.641 3.124 14.223 709 2HD PRO 90 HD1 PRO 90 -14.529 4.024 12.982 710 H ASP 91 HN ASP 91 -11.291 1.609 12.834 711 HA ASP 91 HA ASP 91 -9.003 1.521 14.750 712 1HB ASP 91 HB2 ASP 91 -11.268 -0.401 14.176 713 2HB ASP 91 HB1 ASP 91 -9.851 -0.870 15.117 714 H GLN 92 HN GLN 92 -10.176 0.355 11.645 715 HA GLN 92 HA GLN 92 -7.732 -1.282 11.261 716 1HB GLN 92 HB2 GLN 92 -10.164 -0.871 9.492 717 2HB GLN 92 HB1 GLN 92 -8.834 -1.975 9.144 718 1HG GLN 92 HG2 GLN 92 -9.303 -3.232 11.195 719 2HG GLN 92 HG1 GLN 92 -10.592 -2.102 11.612 720 1HE2 GLN 92 HE22 GLN 92 -11.258 -4.463 8.299 721 2HE2 GLN 92 HE21 GLN 92 -9.700 -3.847 8.570 722 H GLU 93 HN GLU 93 -6.895 -1.027 8.822 723 HA GLU 93 HA GLU 93 -6.682 1.883 8.186 724 1HB GLU 93 HB2 GLU 93 -4.447 -0.127 8.514 725 2HB GLU 93 HB1 GLU 93 -4.238 1.370 7.604 726 1HG GLU 93 HG2 GLU 93 -5.329 1.374 10.419 727 2HG GLU 93 HG1 GLU 93 -3.595 1.417 10.101 728 H LEU 94 HN LEU 94 -6.212 2.311 5.938 729 HA LEU 94 HA LEU 94 -7.293 0.250 4.142 730 1HB LEU 94 HB2 LEU 94 -7.757 2.803 4.053 731 2HB LEU 94 HB1 LEU 94 -6.179 2.913 3.272 732 HG LEU 94 HG LEU 94 -7.035 1.071 1.685 733 1HD1 LEU 94 HD12 LEU 94 -9.599 1.967 3.022 734 2HD1 LEU 94 HD11 LEU 94 -9.568 1.174 1.447 735 3HD1 LEU 94 HD13 LEU 94 -8.978 0.323 2.874 736 1HD2 LEU 94 HD21 LEU 94 -8.009 3.921 1.768 737 2HD2 LEU 94 HD23 LEU 94 -6.776 3.204 0.730 738 3HD2 LEU 94 HD22 LEU 94 -8.481 2.856 0.443 739 H VAL 95 HN VAL 95 -6.081 -1.007 2.784 740 HA VAL 95 HA VAL 95 -3.203 -0.310 2.406 741 HB VAL 95 HB VAL 95 -4.238 -3.100 2.991 742 1HG1 VAL 95 HG11 VAL 95 -2.201 -2.950 1.571 743 2HG1 VAL 95 HG13 VAL 95 -1.423 -1.982 2.823 744 3HG1 VAL 95 HG12 VAL 95 -1.857 -3.659 3.148 745 1HG2 VAL 95 HG21 VAL 95 -2.772 -1.113 4.756 746 2HG2 VAL 95 HG23 VAL 95 -4.411 -1.716 4.998 747 3HG2 VAL 95 HG22 VAL 95 -3.036 -2.807 5.165 748 H ILE 96 HN ILE 96 -2.972 -0.034 0.246 749 HA ILE 96 HA ILE 96 -4.740 -1.492 -1.625 750 HB ILE 96 HB ILE 96 -2.589 0.553 -2.234 751 1HG1 ILE 96 HG12 ILE 96 -4.289 1.498 -0.709 752 2HG1 ILE 96 HG11 ILE 96 -4.434 2.198 -2.320 753 1HG2 ILE 96 HG23 ILE 96 -4.965 -0.469 -3.819 754 2HG2 ILE 96 HG22 ILE 96 -3.893 0.835 -4.329 755 3HG2 ILE 96 HG21 ILE 96 -3.267 -0.804 -4.157 756 1HD1 ILE 96 HD13 ILE 96 -6.262 0.592 -2.832 757 2HD1 ILE 96 HD12 ILE 96 -6.138 -0.048 -1.193 758 3HD1 ILE 96 HD11 ILE 96 -6.656 1.618 -1.453 759 H ALA 97 HN ALA 97 -4.072 -3.303 -2.669 760 HA ALA 97 HA ALA 97 -1.162 -3.978 -2.566 761 1HB ALA 97 HB2 ALA 97 -3.664 -5.591 -2.387 762 2HB ALA 97 HB1 ALA 97 -2.287 -6.330 -3.205 763 3HB ALA 97 HB3 ALA 97 -2.134 -5.792 -1.532 764 H GLY 98 HN GLY 98 -3.891 -3.422 -4.655 765 1HA GLY 98 HA2 GLY 98 -2.537 -2.853 -6.983 766 2HA GLY 98 HA1 GLY 98 -2.670 -4.612 -7.027 767 H GLY 99 HN GLY 99 -5.707 -3.474 -8.777 768 1HA GLY 99 HA2 GLY 99 -2.903 -4.287 -9.094 769 2HA GLY 99 HA1 GLY 99 -4.049 -3.973 -10.398 770 H ALA 100 HN ALA 100 -2.403 -2.680 -11.462 771 HA ALA 100 HA ALA 100 -1.181 -0.386 -10.237 772 1HB ALA 100 HB2 ALA 100 -0.391 -1.506 -12.350 773 2HB ALA 100 HB1 ALA 100 -1.776 -0.798 -13.181 774 3HB ALA 100 HB3 ALA 100 -0.537 0.246 -12.486 775 H GLN 101 HN GLN 101 -4.252 -0.901 -11.873 776 HA GLN 101 HA GLN 101 -4.907 1.891 -12.222 777 1HB GLN 101 HB2 GLN 101 -6.521 -0.659 -12.191 778 2HB GLN 101 HB1 GLN 101 -7.304 0.915 -12.329 779 1HG GLN 101 HG2 GLN 101 -6.972 0.338 -14.573 780 2HG GLN 101 HG1 GLN 101 -5.552 1.328 -14.233 781 1HE2 GLN 101 HE22 GLN 101 -5.004 -2.755 -14.391 782 2HE2 GLN 101 HE21 GLN 101 -6.479 -2.147 -13.810 783 H ILE 102 HN ILE 102 -5.268 -0.411 -9.590 784 HA ILE 102 HA ILE 102 -7.081 1.235 -8.028 785 HB ILE 102 HB ILE 102 -5.232 -0.967 -7.072 786 1HG1 ILE 102 HG12 ILE 102 -6.652 -1.749 -8.936 787 2HG1 ILE 102 HG11 ILE 102 -7.162 -2.474 -7.414 788 1HG2 ILE 102 HG22 ILE 102 -7.785 0.222 -5.949 789 2HG2 ILE 102 HG21 ILE 102 -6.979 -1.208 -5.303 790 3HG2 ILE 102 HG23 ILE 102 -6.168 0.359 -5.256 791 1HD1 ILE 102 HD13 ILE 102 -8.916 -0.687 -7.216 792 2HD1 ILE 102 HD12 ILE 102 -8.462 -0.125 -8.825 793 3HD1 ILE 102 HD11 ILE 102 -9.142 -1.739 -8.614 794 H PHE 103 HN PHE 103 -3.567 0.783 -8.160 795 HA PHE 103 HA PHE 103 -2.908 2.323 -5.843 796 1HB PHE 103 HB2 PHE 103 -1.402 1.681 -8.384 797 2HB PHE 103 HB1 PHE 103 -0.690 2.662 -7.103 798 HD1 PHE 103 HD1 PHE 103 -1.427 1.521 -4.626 799 HD2 PHE 103 HD2 PHE 103 -0.627 -0.512 -8.324 800 HE1 PHE 103 HE1 PHE 103 -0.847 -0.537 -3.370 801 HE2 PHE 103 HE2 PHE 103 -0.048 -2.570 -7.068 802 HZ PHE 103 HZ PHE 103 -0.158 -2.583 -4.591 803 H THR 104 HN THR 104 -3.206 3.252 -9.277 804 HA THR 104 HA THR 104 -2.595 6.032 -8.845 805 HB THR 104 HB THR 104 -4.043 6.131 -11.102 806 HG1 THR 104 HG1 THR 104 -3.851 4.095 -12.127 807 1HG2 THR 104 HG21 THR 104 -1.458 6.278 -10.571 808 2HG2 THR 104 HG23 THR 104 -1.440 4.663 -11.277 809 3HG2 THR 104 HG22 THR 104 -2.016 6.033 -12.226 810 H ALA 105 HN ALA 105 -5.445 4.120 -8.360 811 HA ALA 105 HA ALA 105 -7.350 6.314 -8.484 812 1HB ALA 105 HB2 ALA 105 -7.869 3.820 -8.738 813 2HB ALA 105 HB1 ALA 105 -7.709 3.712 -6.985 814 3HB ALA 105 HB3 ALA 105 -8.957 4.736 -7.695 815 H PHE 106 HN PHE 106 -5.480 4.732 -5.922 816 HA PHE 106 HA PHE 106 -6.592 6.692 -3.962 817 1HB PHE 106 HB2 PHE 106 -5.152 4.054 -3.585 818 2HB PHE 106 HB1 PHE 106 -5.537 5.149 -2.258 819 HD1 PHE 106 HD1 PHE 106 -8.012 5.888 -2.015 820 HD2 PHE 106 HD2 PHE 106 -6.751 2.504 -4.341 821 HE1 PHE 106 HE1 PHE 106 -10.312 4.965 -1.920 822 HE2 PHE 106 HE2 PHE 106 -9.050 1.582 -4.246 823 HZ PHE 106 HZ PHE 106 -10.831 2.812 -3.034 824 H LYS 107 HN LYS 107 -4.245 6.844 -6.062 825 HA LYS 107 HA LYS 107 -1.852 7.220 -4.486 826 1HB LYS 107 HB2 LYS 107 -2.200 6.907 -7.096 827 2HB LYS 107 HB1 LYS 107 -2.274 8.669 -7.075 828 1HG LYS 107 HG2 LYS 107 -0.066 7.352 -5.553 829 2HG LYS 107 HG1 LYS 107 0.052 7.382 -7.312 830 1HD LYS 107 HD2 LYS 107 -0.604 9.923 -7.004 831 2HD LYS 107 HD1 LYS 107 0.030 9.672 -5.377 832 1HE LYS 107 HE2 LYS 107 1.891 10.407 -6.676 833 2HE LYS 107 HE1 LYS 107 2.101 8.665 -6.497 834 1HZ LYS 107 HZ2 LYS 107 0.969 8.413 -8.670 835 2HZ LYS 107 HZ1 LYS 107 0.997 10.103 -8.847 836 3HZ LYS 107 HZ3 LYS 107 2.453 9.235 -8.768 837 H ASP 108 HN ASP 108 -4.553 9.273 -5.388 838 HA ASP 108 HA ASP 108 -3.367 11.811 -4.806 839 1HB ASP 108 HB2 ASP 108 -5.638 11.282 -5.937 840 2HB ASP 108 HB1 ASP 108 -6.271 11.169 -4.294 841 H ASP 109 HN ASP 109 -4.649 9.280 -2.763 842 HA ASP 109 HA ASP 109 -4.071 10.995 -0.380 843 1HB ASP 109 HB2 ASP 109 -6.233 8.909 -0.777 844 2HB ASP 109 HB1 ASP 109 -5.803 9.569 0.802 845 H VAL 110 HN VAL 110 -1.916 9.770 -1.216 846 HA VAL 110 HA VAL 110 -1.756 7.124 0.153 847 HB VAL 110 HB VAL 110 -1.031 7.158 -2.206 848 1HG1 VAL 110 HG11 VAL 110 -0.341 9.533 -2.289 849 2HG1 VAL 110 HG13 VAL 110 1.038 9.163 -1.256 850 3HG1 VAL 110 HG12 VAL 110 0.938 8.471 -2.874 851 1HG2 VAL 110 HG21 VAL 110 0.177 5.827 -0.298 852 2HG2 VAL 110 HG23 VAL 110 0.931 5.915 -1.889 853 3HG2 VAL 110 HG22 VAL 110 1.498 6.959 -0.585 854 H ASP 111 HN ASP 111 -0.028 6.758 1.663 855 HA ASP 111 HA ASP 111 1.391 9.201 2.620 856 1HB ASP 111 HB2 ASP 111 -0.030 7.185 4.388 857 2HB ASP 111 HB1 ASP 111 0.911 8.568 4.949 858 H THR 112 HN THR 112 1.153 5.774 3.627 859 HA THR 112 HA THR 112 4.081 5.637 3.858 860 HB THR 112 HB THR 112 2.176 3.314 4.158 861 HG1 THR 112 HG1 THR 112 2.557 5.560 5.779 862 1HG2 THR 112 HG21 THR 112 4.890 4.080 5.233 863 2HG2 THR 112 HG23 THR 112 3.916 2.821 5.991 864 3HG2 THR 112 HG22 THR 112 4.441 2.641 4.317 865 H LEU 113 HN LEU 113 5.392 4.896 2.261 866 HA LEU 113 HA LEU 113 4.117 3.488 -0.049 867 1HB LEU 113 HB2 LEU 113 6.508 5.325 0.140 868 2HB LEU 113 HB1 LEU 113 6.258 4.271 -1.252 869 HG LEU 113 HG LEU 113 4.087 6.120 -0.261 870 1HD1 LEU 113 HD12 LEU 113 6.442 6.692 -2.048 871 2HD1 LEU 113 HD11 LEU 113 4.914 7.538 -2.288 872 3HD1 LEU 113 HD13 LEU 113 5.770 7.684 -0.753 873 1HD2 LEU 113 HD23 LEU 113 3.572 4.212 -1.829 874 2HD2 LEU 113 HD22 LEU 113 3.203 5.801 -2.496 875 3HD2 LEU 113 HD21 LEU 113 4.663 4.952 -3.000 876 H LEU 114 HN LEU 114 4.343 1.393 0.928 877 HA LEU 114 HA LEU 114 7.058 0.473 1.641 878 1HB LEU 114 HB2 LEU 114 4.356 -0.902 1.663 879 2HB LEU 114 HB1 LEU 114 5.860 -1.683 2.149 880 HG LEU 114 HG LEU 114 5.011 0.935 3.378 881 1HD1 LEU 114 HD11 LEU 114 4.219 -1.868 4.226 882 2HD1 LEU 114 HD13 LEU 114 4.050 -0.438 5.245 883 3HD1 LEU 114 HD12 LEU 114 3.132 -0.564 3.744 884 1HD2 LEU 114 HD22 LEU 114 6.873 -1.339 4.088 885 2HD2 LEU 114 HD21 LEU 114 7.265 0.368 3.877 886 3HD2 LEU 114 HD23 LEU 114 6.352 -0.158 5.291 887 H VAL 115 HN VAL 115 8.376 -0.375 0.111 888 HA VAL 115 HA VAL 115 7.137 -1.822 -2.184 889 HB VAL 115 HB VAL 115 7.734 0.457 -2.928 890 1HG1 VAL 115 HG12 VAL 115 9.521 0.880 -1.275 891 2HG1 VAL 115 HG11 VAL 115 10.545 -0.307 -2.082 892 3HG1 VAL 115 HG13 VAL 115 10.087 1.177 -2.919 893 1HG2 VAL 115 HG22 VAL 115 7.988 -1.479 -4.481 894 2HG2 VAL 115 HG21 VAL 115 9.130 -0.181 -4.833 895 3HG2 VAL 115 HG23 VAL 115 9.674 -1.626 -3.981 896 H THR 116 HN THR 116 8.344 -3.594 -2.925 897 HA THR 116 HA THR 116 10.694 -4.323 -1.223 898 HB THR 116 HB THR 116 8.939 -6.214 -2.810 899 HG1 THR 116 HG1 THR 116 8.482 -6.493 -0.268 900 1HG2 THR 116 HG23 THR 116 11.347 -6.775 -1.960 901 2HG2 THR 116 HG22 THR 116 10.579 -6.855 -0.374 902 3HG2 THR 116 HG21 THR 116 10.047 -7.929 -1.668 903 H ARG 117 HN ARG 117 12.508 -3.805 -2.368 904 HA ARG 117 HA ARG 117 12.538 -4.061 -5.308 905 1HB ARG 117 HB2 ARG 117 14.686 -3.163 -3.363 906 2HB ARG 117 HB1 ARG 117 14.803 -3.077 -5.121 907 1HG ARG 117 HG2 ARG 117 12.462 -1.811 -3.724 908 2HG ARG 117 HG1 ARG 117 14.008 -0.963 -3.781 909 1HD ARG 117 HD2 ARG 117 13.943 -1.515 -6.331 910 2HD ARG 117 HD1 ARG 117 12.220 -1.777 -6.063 911 HE ARG 117 HE ARG 117 12.560 0.669 -4.925 912 1HH1 ARG 117 HH11 ARG 117 13.655 -0.666 -7.941 913 2HH1 ARG 117 HH12 ARG 117 13.646 0.862 -8.757 914 1HH2 ARG 117 HH21 ARG 117 12.551 2.645 -5.995 915 2HH2 ARG 117 HH22 ARG 117 13.023 2.727 -7.660 916 H LEU 118 HN LEU 118 13.350 -5.816 -6.348 917 HA LEU 118 HA LEU 118 14.775 -7.867 -4.715 918 1HB LEU 118 HB2 LEU 118 12.899 -7.966 -7.018 919 2HB LEU 118 HB1 LEU 118 14.207 -9.149 -7.036 920 HG LEU 118 HG LEU 118 13.571 -9.693 -4.626 921 1HD1 LEU 118 HD13 LEU 118 12.207 -7.520 -4.448 922 2HD1 LEU 118 HD12 LEU 118 10.961 -8.363 -5.368 923 3HD1 LEU 118 HD11 LEU 118 11.461 -8.978 -3.793 924 1HD2 LEU 118 HD22 LEU 118 12.969 -11.134 -6.547 925 2HD2 LEU 118 HD21 LEU 118 11.698 -11.139 -5.326 926 3HD2 LEU 118 HD23 LEU 118 11.504 -10.183 -6.796 927 H ALA 119 HN ALA 119 16.814 -8.575 -5.346 928 HA ALA 119 HA ALA 119 18.354 -6.815 -7.071 929 1HB ALA 119 HB1 ALA 119 19.207 -8.078 -5.010 930 2HB ALA 119 HB3 ALA 119 19.232 -9.516 -6.030 931 3HB ALA 119 HB2 ALA 119 20.242 -8.129 -6.437 932 H GLY 120 HN GLY 120 16.863 -9.992 -7.393 933 1HA GLY 120 HA2 GLY 120 18.161 -10.656 -9.900 934 2HA GLY 120 HA1 GLY 120 16.740 -11.459 -9.231 935 H SER 121 HN SER 121 17.489 -10.189 -11.972 936 HA SER 121 HA SER 121 15.368 -8.165 -12.272 937 1HB SER 121 HB2 SER 121 16.153 -8.427 -14.763 938 2HB SER 121 HB1 SER 121 17.207 -7.620 -13.606 939 HG SER 121 HG SER 121 17.367 -10.403 -13.895 940 H PHE 122 HN PHE 122 13.441 -8.501 -13.406 941 HA PHE 122 HA PHE 122 12.934 -11.193 -14.554 942 1HB PHE 122 HB2 PHE 122 11.210 -9.883 -12.428 943 2HB PHE 122 HB1 PHE 122 10.772 -11.336 -13.327 944 HD1 PHE 122 HD2 PHE 122 12.268 -13.382 -13.159 945 HD2 PHE 122 HD1 PHE 122 12.657 -9.994 -10.549 946 HE1 PHE 122 HE2 PHE 122 13.557 -14.766 -11.556 947 HE2 PHE 122 HE1 PHE 122 13.948 -11.377 -8.946 948 HZ PHE 122 HZ PHE 122 14.397 -13.764 -9.450 949 H GLU 123 HN GLU 123 11.988 -10.915 -16.507 950 HA GLU 123 HA GLU 123 10.817 -8.279 -17.175 951 1HB GLU 123 HB2 GLU 123 12.469 -9.608 -18.665 952 2HB GLU 123 HB1 GLU 123 11.081 -10.624 -19.055 953 1HG GLU 123 HG2 GLU 123 11.119 -8.944 -20.743 954 2HG GLU 123 HG1 GLU 123 9.844 -8.455 -19.628 955 H GLY 124 HN GLY 124 8.646 -7.984 -17.645 956 1HA GLY 124 HA2 GLY 124 6.866 -10.352 -17.771 957 2HA GLY 124 HA1 GLY 124 6.561 -9.179 -16.489 958 H ASP 125 HN ASP 125 4.774 -8.053 -17.109 959 HA ASP 125 HA ASP 125 4.884 -6.616 -19.706 960 1HB ASP 125 HB2 ASP 125 2.483 -7.210 -20.132 961 2HB ASP 125 HB1 ASP 125 3.570 -8.597 -20.224 962 H THR 126 HN THR 126 3.651 -6.968 -16.453 963 HA THR 126 HA THR 126 2.235 -4.367 -16.604 964 HB THR 126 HB THR 126 2.538 -6.105 -14.152 965 HG1 THR 126 HG1 THR 126 0.402 -6.883 -14.943 966 1HG2 THR 126 HG22 THR 126 0.580 -4.012 -15.109 967 2HG2 THR 126 HG21 THR 126 0.223 -5.091 -13.760 968 3HG2 THR 126 HG23 THR 126 1.586 -3.977 -13.661 969 H LYS 127 HN LYS 127 3.386 -2.554 -16.193 970 HA LYS 127 HA LYS 127 5.859 -2.775 -14.541 971 1HB LYS 127 HB2 LYS 127 4.907 -0.699 -16.531 972 2HB LYS 127 HB1 LYS 127 6.324 -0.468 -15.506 973 1HG LYS 127 HG2 LYS 127 7.222 -2.652 -16.419 974 2HG LYS 127 HG1 LYS 127 5.898 -2.629 -17.584 975 1HD LYS 127 HD2 LYS 127 7.726 -0.251 -17.276 976 2HD LYS 127 HD1 LYS 127 8.172 -1.608 -18.311 977 1HE LYS 127 HE2 LYS 127 5.546 -0.114 -18.538 978 2HE LYS 127 HE1 LYS 127 6.966 0.244 -19.521 979 1HZ LYS 127 HZ3 LYS 127 5.755 -2.456 -19.358 980 2HZ LYS 127 HZ2 LYS 127 5.313 -1.315 -20.537 981 3HZ LYS 127 HZ1 LYS 127 6.907 -1.899 -20.472 982 H MET 128 HN MET 128 6.275 -0.834 -13.094 983 HA MET 128 HA MET 128 3.800 -0.239 -11.579 984 1HB MET 128 HB2 MET 128 6.248 -0.963 -10.700 985 2HB MET 128 HB1 MET 128 6.437 0.790 -10.661 986 1HG MET 128 HG2 MET 128 3.982 -0.499 -9.488 987 2HG MET 128 HG1 MET 128 5.473 -0.401 -8.552 988 1HE MET 128 HE2 MET 128 3.018 0.701 -7.449 989 2HE MET 128 HE1 MET 128 2.606 2.397 -7.692 990 3HE MET 128 HE3 MET 128 2.215 1.201 -8.935 991 H ILE 129 HN ILE 129 3.055 1.873 -11.231 992 HA ILE 129 HA ILE 129 3.582 3.809 -13.287 993 HB ILE 129 HB ILE 129 2.201 5.330 -11.850 994 1HG1 ILE 129 HG12 ILE 129 1.947 2.964 -9.984 995 2HG1 ILE 129 HG11 ILE 129 3.129 4.244 -9.703 996 1HG2 ILE 129 HG21 ILE 129 1.352 3.351 -13.382 997 2HG2 ILE 129 HG23 ILE 129 0.855 2.649 -11.843 998 3HG2 ILE 129 HG22 ILE 129 0.219 4.215 -12.343 999 1HD1 ILE 129 HD11 ILE 129 0.244 4.932 -10.211 1000 2HD1 ILE 129 HD13 ILE 129 0.775 4.456 -8.598 1001 3HD1 ILE 129 HD12 ILE 129 1.476 5.876 -9.374 1002 HA PRO 130 HA PRO 130 6.944 6.139 -11.538 1003 1HB PRO 130 HB2 PRO 130 6.210 8.689 -12.426 1004 2HB PRO 130 HB1 PRO 130 7.102 7.483 -13.362 1005 1HG PRO 130 HG2 PRO 130 4.439 8.445 -13.795 1006 2HG PRO 130 HG1 PRO 130 5.348 7.262 -14.746 1007 1HD PRO 130 HD2 PRO 130 3.221 6.807 -12.792 1008 2HD PRO 130 HD1 PRO 130 3.906 5.688 -13.983 1009 H LEU 131 HN LEU 131 6.829 6.269 -9.305 1010 HA LEU 131 HA LEU 131 4.827 8.069 -8.058 1011 1HB LEU 131 HB2 LEU 131 6.830 6.150 -6.826 1012 2HB LEU 131 HB1 LEU 131 5.624 7.075 -5.928 1013 HG LEU 131 HG LEU 131 4.838 5.250 -8.201 1014 1HD1 LEU 131 HD11 LEU 131 6.121 3.962 -6.482 1015 2HD1 LEU 131 HD13 LEU 131 4.983 4.526 -5.259 1016 3HD1 LEU 131 HD12 LEU 131 4.425 3.487 -6.571 1017 1HD2 LEU 131 HD21 LEU 131 3.223 6.956 -7.360 1018 2HD2 LEU 131 HD23 LEU 131 2.670 5.308 -7.059 1019 3HD2 LEU 131 HD22 LEU 131 3.364 6.259 -5.746 1020 H ASN 132 HN ASN 132 5.402 9.960 -7.008 1021 HA ASN 132 HA ASN 132 8.053 11.057 -7.608 1022 1HB ASN 132 HB2 ASN 132 5.731 12.286 -7.553 1023 2HB ASN 132 HB1 ASN 132 6.049 12.409 -5.823 1024 1HD2 ASN 132 HD22 ASN 132 8.937 14.139 -8.187 1025 2HD2 ASN 132 HD21 ASN 132 8.373 12.582 -8.566 1026 H TRP 133 HN TRP 133 9.402 9.665 -6.313 1027 HA TRP 133 HA TRP 133 9.021 9.322 -3.477 1028 1HB TRP 133 HB2 TRP 133 11.532 9.082 -5.162 1029 2HB TRP 133 HB1 TRP 133 11.369 8.514 -3.501 1030 HD1 TRP 133 HD1 TRP 133 10.451 7.665 -7.064 1031 HE1 TRP 133 HE1 TRP 133 9.328 5.345 -7.128 1032 HE3 TRP 133 HE3 TRP 133 9.842 6.840 -2.061 1033 HZ2 TRP 133 HZ2 TRP 133 8.306 3.397 -5.300 1034 HZ3 TRP 133 HZ3 TRP 133 8.791 4.747 -1.251 1035 HH2 TRP 133 HH2 TRP 133 8.023 3.026 -2.862 1036 H ASP 134 HN ASP 134 10.218 11.929 -5.380 1037 HA ASP 134 HA ASP 134 12.057 13.121 -3.547 1038 1HB ASP 134 HB2 ASP 134 11.630 13.774 -5.984 1039 2HB ASP 134 HB1 ASP 134 10.215 14.649 -5.398 1040 H ASP 135 HN ASP 135 8.552 13.082 -3.686 1041 HA ASP 135 HA ASP 135 8.345 15.123 -1.551 1042 1HB ASP 135 HB2 ASP 135 6.411 13.724 -3.366 1043 2HB ASP 135 HB1 ASP 135 5.814 14.413 -1.856 1044 H PHE 136 HN PHE 136 9.607 12.470 -1.074 1045 HA PHE 136 HA PHE 136 7.906 11.678 1.235 1046 1HB PHE 136 HB2 PHE 136 8.902 9.894 -0.977 1047 2HB PHE 136 HB1 PHE 136 8.656 9.246 0.645 1048 HD1 PHE 136 HD1 PHE 136 6.377 9.546 1.749 1049 HD2 PHE 136 HD2 PHE 136 7.067 10.281 -2.427 1050 HE1 PHE 136 HE1 PHE 136 3.940 9.389 1.319 1051 HE2 PHE 136 HE2 PHE 136 4.629 10.124 -2.857 1052 HZ PHE 136 HZ PHE 136 3.067 9.678 -0.984 1053 H THR 137 HN THR 137 9.270 10.088 2.661 1054 HA THR 137 HA THR 137 12.178 10.636 2.497 1055 HB THR 137 HB THR 137 10.715 11.124 5.091 1056 HG1 THR 137 HG1 THR 137 10.107 12.521 3.191 1057 1HG2 THR 137 HG23 THR 137 13.281 10.734 4.798 1058 2HG2 THR 137 HG22 THR 137 13.282 12.372 4.144 1059 3HG2 THR 137 HG21 THR 137 12.734 12.082 5.795 1060 H LYS 138 HN LYS 138 13.356 8.898 3.223 1061 HA LYS 138 HA LYS 138 11.970 6.437 3.868 1062 1HB LYS 138 HB2 LYS 138 14.236 6.718 2.663 1063 2HB LYS 138 HB1 LYS 138 14.922 6.927 4.275 1064 1HG LYS 138 HG2 LYS 138 14.389 4.745 4.930 1065 2HG LYS 138 HG1 LYS 138 13.129 4.582 3.705 1066 1HD LYS 138 HD2 LYS 138 14.954 3.269 2.911 1067 2HD LYS 138 HD1 LYS 138 15.002 4.759 1.967 1068 1HE LYS 138 HE2 LYS 138 17.255 4.200 2.750 1069 2HE LYS 138 HE1 LYS 138 16.695 5.675 3.539 1070 1HZ LYS 138 HZ1 LYS 138 16.098 3.150 4.869 1071 2HZ LYS 138 HZ3 LYS 138 17.719 3.650 4.877 1072 3HZ LYS 138 HZ2 LYS 138 16.518 4.658 5.532 1073 H VAL 139 HN VAL 139 12.220 5.226 5.875 1074 HA VAL 139 HA VAL 139 13.124 6.758 8.245 1075 HB VAL 139 HB VAL 139 10.984 6.219 9.436 1076 1HG1 VAL 139 HG11 VAL 139 11.463 8.436 8.305 1077 2HG1 VAL 139 HG13 VAL 139 10.530 7.853 6.926 1078 3HG1 VAL 139 HG12 VAL 139 9.750 8.059 8.493 1079 1HG2 VAL 139 HG23 VAL 139 10.117 5.444 6.632 1080 2HG2 VAL 139 HG22 VAL 139 10.229 4.369 8.025 1081 3HG2 VAL 139 HG21 VAL 139 9.019 5.653 7.997 1082 H SER 140 HN SER 140 12.060 3.743 6.773 1083 HA SER 140 HA SER 140 13.790 2.262 8.668 1084 1HB SER 140 HB2 SER 140 11.296 2.343 9.446 1085 2HB SER 140 HB1 SER 140 11.019 1.215 8.122 1086 HG SER 140 HG SER 140 11.505 0.144 10.086 1087 H SER 141 HN SER 141 14.409 0.169 7.831 1088 HA SER 141 HA SER 141 13.484 -0.648 5.171 1089 1HB SER 141 HB2 SER 141 15.169 1.135 4.680 1090 2HB SER 141 HB1 SER 141 16.372 0.196 5.559 1091 HG SER 141 HG SER 141 16.581 -1.016 3.863 1092 H ARG 142 HN ARG 142 13.187 -2.774 5.648 1093 HA ARG 142 HA ARG 142 15.116 -4.171 7.410 1094 1HB ARG 142 HB2 ARG 142 12.515 -4.377 7.506 1095 2HB ARG 142 HB1 ARG 142 12.714 -5.450 6.119 1096 1HG ARG 142 HG2 ARG 142 12.794 -6.896 7.995 1097 2HG ARG 142 HG1 ARG 142 14.484 -6.670 7.542 1098 1HD ARG 142 HD2 ARG 142 14.884 -5.168 9.320 1099 2HD ARG 142 HD1 ARG 142 13.164 -4.873 9.573 1100 HE ARG 142 HE ARG 142 13.026 -6.912 10.802 1101 1HH1 ARG 142 HH21 ARG 142 16.119 -6.495 9.276 1102 2HH1 ARG 142 HH22 ARG 142 16.861 -7.789 10.158 1103 1HH2 ARG 142 HH11 ARG 142 14.000 -8.588 11.940 1104 2HH2 ARG 142 HH12 ARG 142 15.666 -8.967 11.658 1105 H THR 143 HN THR 143 16.920 -4.818 6.314 1106 HA THR 143 HA THR 143 16.748 -5.674 3.502 1107 HB THR 143 HB THR 143 19.182 -5.865 5.281 1108 HG1 THR 143 HG1 THR 143 18.515 -3.610 3.734 1109 1HG2 THR 143 HG23 THR 143 18.786 -5.368 2.317 1110 2HG2 THR 143 HG22 THR 143 20.343 -5.470 3.138 1111 3HG2 THR 143 HG21 THR 143 19.301 -6.890 3.046 1112 H VAL 144 HN VAL 144 17.263 -7.806 2.786 1113 HA VAL 144 HA VAL 144 17.660 -9.925 4.792 1114 HB VAL 144 HB VAL 144 15.207 -9.639 4.765 1115 1HG1 VAL 144 HG11 VAL 144 15.175 -8.728 2.392 1116 2HG1 VAL 144 HG13 VAL 144 15.320 -10.394 1.836 1117 3HG1 VAL 144 HG12 VAL 144 13.908 -9.896 2.766 1118 1HG2 VAL 144 HG22 VAL 144 16.336 -11.935 4.910 1119 2HG2 VAL 144 HG21 VAL 144 14.640 -11.936 4.426 1120 3HG2 VAL 144 HG23 VAL 144 15.903 -12.143 3.213 1121 H GLU 145 HN GLU 145 19.066 -11.363 3.921 1122 HA GLU 145 HA GLU 145 19.415 -11.371 0.960 1123 1HB GLU 145 HB2 GLU 145 21.243 -12.319 3.189 1124 2HB GLU 145 HB1 GLU 145 21.614 -12.441 1.469 1125 1HG GLU 145 HG2 GLU 145 21.157 -9.892 1.397 1126 2HG GLU 145 HG1 GLU 145 21.320 -9.957 3.153 1127 H ASP 146 HN ASP 146 18.460 -13.041 -0.076 1128 HA ASP 146 HA ASP 146 17.561 -15.412 1.383 1129 1HB ASP 146 HB2 ASP 146 16.441 -14.206 -0.660 1130 2HB ASP 146 HB1 ASP 146 17.555 -15.184 -1.615 1131 H THR 147 HN THR 147 17.989 -17.465 -0.436 1132 HA THR 147 HA THR 147 20.740 -18.181 0.151 1133 HB THR 147 HB THR 147 20.153 -20.204 -1.305 1134 HG1 THR 147 HG1 THR 147 18.331 -18.686 -2.182 1135 1HG2 THR 147 HG21 THR 147 18.672 -19.356 1.167 1136 2HG2 THR 147 HG23 THR 147 18.291 -20.900 0.405 1137 3HG2 THR 147 HG22 THR 147 19.925 -20.584 0.988 1138 H ASN 148 HN ASN 148 18.958 -17.316 -2.812 1139 HA ASN 148 HA ASN 148 21.546 -17.239 -4.282 1140 1HB ASN 148 HB2 ASN 148 19.565 -18.523 -5.219 1141 2HB ASN 148 HB1 ASN 148 18.757 -16.970 -5.431 1142 1HD2 ASN 148 HD22 ASN 148 21.539 -18.137 -8.112 1143 2HD2 ASN 148 HD21 ASN 148 21.012 -19.152 -6.858 1144 HA PRO 149 HA PRO 149 21.913 -12.809 -3.959 1145 1HB PRO 149 HB2 PRO 149 22.660 -12.611 -6.764 1146 2HB PRO 149 HB1 PRO 149 23.659 -12.365 -5.327 1147 1HG PRO 149 HG2 PRO 149 23.612 -14.618 -7.097 1148 2HG PRO 149 HG1 PRO 149 24.649 -14.343 -5.692 1149 1HD PRO 149 HD2 PRO 149 22.609 -16.257 -5.890 1150 2HD PRO 149 HD1 PRO 149 23.429 -15.748 -4.406 1151 H ALA 150 HN ALA 150 20.368 -14.147 -6.881 1152 HA ALA 150 HA ALA 150 18.949 -11.784 -7.634 1153 1HB ALA 150 HB2 ALA 150 18.197 -14.692 -8.065 1154 2HB ALA 150 HB1 ALA 150 17.497 -13.319 -8.922 1155 3HB ALA 150 HB3 ALA 150 19.201 -13.718 -9.140 1156 H LEU 151 HN LEU 151 18.158 -14.417 -5.399 1157 HA LEU 151 HA LEU 151 15.454 -13.461 -4.896 1158 1HB LEU 151 HB2 LEU 151 17.253 -15.499 -3.588 1159 2HB LEU 151 HB1 LEU 151 15.700 -15.062 -2.875 1160 HG LEU 151 HG LEU 151 15.985 -15.930 -5.759 1161 1HD1 LEU 151 HD11 LEU 151 15.421 -17.567 -3.274 1162 2HD1 LEU 151 HD13 LEU 151 15.053 -18.126 -4.906 1163 3HD1 LEU 151 HD12 LEU 151 16.724 -17.804 -4.438 1164 1HD2 LEU 151 HD23 LEU 151 13.692 -15.526 -3.829 1165 2HD2 LEU 151 HD22 LEU 151 13.938 -14.765 -5.400 1166 3HD2 LEU 151 HD21 LEU 151 13.512 -16.474 -5.306 1167 H THR 152 HN THR 152 18.131 -11.850 -4.327 1168 HA THR 152 HA THR 152 17.769 -11.227 -1.469 1169 HB THR 152 HB THR 152 19.560 -9.830 -3.473 1170 HG1 THR 152 HG1 THR 152 19.793 -12.256 -2.106 1171 1HG2 THR 152 HG22 THR 152 19.311 -9.922 -0.484 1172 2HG2 THR 152 HG21 THR 152 20.887 -9.623 -1.216 1173 3HG2 THR 152 HG23 THR 152 19.542 -8.528 -1.540 1174 H HIS 153 HN HIS 153 16.722 -9.415 -0.699 1175 HA HIS 153 HA HIS 153 16.026 -7.202 -2.503 1176 1HB HIS 153 HB2 HIS 153 13.576 -7.412 -1.998 1177 2HB HIS 153 HB1 HIS 153 14.198 -8.723 -2.999 1178 HD1 HIS 153 HD1 HIS 153 14.919 -10.957 -1.565 1179 HD2 HIS 153 HD2 HIS 153 12.305 -8.296 0.296 1180 HE1 HIS 153 HE1 HIS 153 13.835 -12.230 0.338 1181 H THR 154 HN THR 154 14.572 -5.592 -1.170 1182 HA THR 154 HA THR 154 15.209 -5.712 1.731 1183 HB THR 154 HB THR 154 15.777 -3.263 0.038 1184 HG1 THR 154 HG1 THR 154 17.995 -4.156 0.977 1185 1HG2 THR 154 HG21 THR 154 15.241 -3.306 2.649 1186 2HG2 THR 154 HG23 THR 154 16.935 -3.787 2.741 1187 3HG2 THR 154 HG22 THR 154 16.492 -2.255 1.987 1188 H TYR 155 HN TYR 155 13.583 -4.833 2.979 1189 HA TYR 155 HA TYR 155 11.131 -3.992 1.579 1190 1HB TYR 155 HB2 TYR 155 11.753 -4.443 4.513 1191 2HB TYR 155 HB1 TYR 155 10.164 -3.989 3.896 1192 HD1 TYR 155 HD2 TYR 155 8.900 -5.529 2.415 1193 HD2 TYR 155 HD1 TYR 155 12.628 -6.673 4.216 1194 HE1 TYR 155 HE2 TYR 155 8.421 -7.905 1.897 1195 HE2 TYR 155 HE1 TYR 155 12.149 -9.049 3.698 1196 HH TYR 155 HH TYR 155 9.061 -10.025 2.234 1197 H GLU 156 HN GLU 156 11.538 -1.903 0.803 1198 HA GLU 156 HA GLU 156 12.719 0.160 2.491 1199 1HB GLU 156 HB2 GLU 156 11.338 0.206 -0.201 1200 2HB GLU 156 HB1 GLU 156 11.923 1.670 0.589 1201 1HG GLU 156 HG2 GLU 156 13.730 -0.711 0.191 1202 2HG GLU 156 HG1 GLU 156 13.516 0.493 -1.079 1203 H VAL 157 HN VAL 157 11.621 1.887 3.495 1204 HA VAL 157 HA VAL 157 8.645 1.798 3.482 1205 HB VAL 157 HB VAL 157 10.313 1.985 6.007 1206 1HG1 VAL 157 HG12 VAL 157 8.138 3.149 6.090 1207 2HG1 VAL 157 HG11 VAL 157 7.330 1.680 5.544 1208 3HG1 VAL 157 HG13 VAL 157 8.124 1.716 7.118 1209 1HG2 VAL 157 HG22 VAL 157 9.001 -0.317 4.593 1210 2HG2 VAL 157 HG21 VAL 157 10.545 -0.266 5.445 1211 3HG2 VAL 157 HG23 VAL 157 9.036 -0.303 6.356 1212 H TRP 158 HN TRP 158 8.336 3.782 2.519 1213 HA TRP 158 HA TRP 158 9.847 6.116 3.600 1214 1HB TRP 158 HB2 TRP 158 8.204 5.835 1.065 1215 2HB TRP 158 HB1 TRP 158 9.073 7.289 1.557 1216 HD1 TRP 158 HD1 TRP 158 9.954 3.537 1.120 1217 HE1 TRP 158 HE1 TRP 158 12.272 3.389 0.000 1218 HE3 TRP 158 HE3 TRP 158 11.044 8.507 0.692 1219 HZ2 TRP 158 HZ2 TRP 158 14.317 5.147 -0.952 1220 HZ3 TRP 158 HZ3 TRP 158 13.182 9.243 -0.324 1221 HH2 TRP 158 HH2 TRP 158 14.818 7.570 -1.146 1222 H GLN 159 HN GLN 159 8.559 8.139 3.896 1223 HA GLN 159 HA GLN 159 5.658 7.758 4.338 1224 1HB GLN 159 HB2 GLN 159 7.675 8.302 6.511 1225 2HB GLN 159 HB1 GLN 159 6.010 8.862 6.665 1226 1HG GLN 159 HG2 GLN 159 5.257 6.501 6.198 1227 2HG GLN 159 HG1 GLN 159 6.948 6.005 6.293 1228 1HE2 GLN 159 HE22 GLN 159 5.062 5.973 9.686 1229 2HE2 GLN 159 HE21 GLN 159 4.466 5.569 8.149 1230 H LYS 160 HN LYS 160 4.520 9.703 4.177 1231 HA LYS 160 HA LYS 160 5.850 11.903 2.864 1232 1HB LYS 160 HB2 LYS 160 3.407 11.224 2.602 1233 2HB LYS 160 HB1 LYS 160 3.120 11.980 4.170 1234 1HG LYS 160 HG2 LYS 160 3.565 14.121 3.376 1235 2HG LYS 160 HG1 LYS 160 4.573 13.531 2.053 1236 1HD LYS 160 HD2 LYS 160 1.642 12.860 2.126 1237 2HD LYS 160 HD1 LYS 160 2.176 14.424 1.510 1238 1HE LYS 160 HE2 LYS 160 3.425 13.439 -0.241 1239 2HE LYS 160 HE1 LYS 160 3.410 11.851 0.527 1240 1HZ LYS 160 HZ1 LYS 160 0.787 12.912 0.009 1241 2HZ LYS 160 HZ3 LYS 160 1.700 12.665 -1.399 1242 3HZ LYS 160 HZ2 LYS 160 1.424 11.374 -0.329 1243 H LYS 161 HN LYS 161 7.237 13.192 3.980 1244 HA LYS 161 HA LYS 161 6.264 14.561 6.400 1245 1HB LYS 161 HB2 LYS 161 7.401 12.418 7.161 1246 2HB LYS 161 HB1 LYS 161 8.897 13.069 6.488 1247 1HG LYS 161 HG2 LYS 161 8.364 15.173 7.921 1248 2HG LYS 161 HG1 LYS 161 7.268 14.106 8.800 1249 1HD LYS 161 HD2 LYS 161 9.016 12.705 9.528 1250 2HD LYS 161 HD1 LYS 161 10.124 13.291 8.286 1251 1HE LYS 161 HE2 LYS 161 9.956 15.578 9.429 1252 2HE LYS 161 HE1 LYS 161 9.188 14.733 10.773 1253 1HZ LYS 161 HZ3 LYS 161 11.203 13.198 10.653 1254 2HZ LYS 161 HZ2 LYS 161 11.930 14.419 9.721 1255 3HZ LYS 161 HZ1 LYS 161 11.433 14.743 11.313 1256 H ALA 162 HN ALA 162 6.468 16.539 5.347 1257 HA ALA 162 HA ALA 162 8.848 17.236 3.813 1258 1HB ALA 162 HB2 ALA 162 6.448 18.162 3.523 1259 2HB ALA 162 HB1 ALA 162 6.831 19.205 4.894 1260 3HB ALA 162 HB3 ALA 162 7.782 19.310 3.412 1261 1H9 TMQ 170 H91 TMQ 170 -0.257 -10.565 -5.914 1262 2H9 TMQ 170 H92 TMQ 170 -0.931 -11.517 -4.582 1263 HN1 TMQ 170 H1N TMQ 170 1.124 -12.371 -6.465 1264 1H17 TMQ 170 HM1 TMQ 170 -1.281 -8.200 -3.394 1265 2H17 TMQ 170 HM2 TMQ 170 -0.345 -7.572 -4.757 1266 3H17 TMQ 170 HM3 TMQ 170 -1.159 -9.131 -4.884 1267 1H21 TMQ 170 HW11 TMQ 170 -1.669 -14.285 -0.245 1268 2H21 TMQ 170 HW12 TMQ 170 -2.018 -13.733 -1.891 1269 3H21 TMQ 170 HW13 TMQ 170 -0.502 -13.267 -1.104 1270 1H22 TMQ 170 HI1 TMQ 170 1.250 -17.117 -1.926 1271 2H22 TMQ 170 HI2 TMQ 170 1.801 -17.926 -3.402 1272 3H22 TMQ 170 HI3 TMQ 170 0.864 -18.823 -2.196 1273 1H23 TMQ 170 HW21 TMQ 170 1.583 -18.117 -7.627 1274 2H23 TMQ 170 HW22 TMQ 170 0.918 -16.492 -7.854 1275 3H23 TMQ 170 HW23 TMQ 170 2.348 -16.729 -6.837 1276 1HN2 TMQ 170 HN21 TMQ 170 4.220 -5.997 0.303 1277 2HN2 TMQ 170 HN22 TMQ 170 5.116 -7.478 0.234 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.296 -6.508 -3.075 1279 2HN5 TMQ 170 HN42 TMQ 170 0.425 -5.358 -2.036 1280 HN TMQ 170 H1 TMQ 170 4.377 -9.195 -1.082 1281 H7 TMQ 170 H7 TMQ 170 2.244 -12.192 -3.968 1282 H8 TMQ 170 H8 TMQ 170 3.797 -11.132 -2.392 1283 H12 TMQ 170 HP2 TMQ 170 -0.146 -12.886 -3.113 1284 H16 TMQ 170 HP6 TMQ 170 0.867 -14.749 -6.877 No H/Q in entry = 1284 Start of MODEL 10 1 1H THR 1 HT3 THR 1 -2.575 6.383 4.882 2 2H THR 1 HT2 THR 1 -2.859 7.230 3.436 3 3H THR 1 HT1 THR 1 -4.165 6.710 4.390 4 HA THR 1 HA THR 1 -3.971 4.529 3.760 5 HB THR 1 HB THR 1 -2.762 5.831 1.320 6 HG1 THR 1 HG1 THR 1 -5.384 6.050 1.287 7 1HG2 THR 1 HG23 THR 1 -4.719 3.611 1.891 8 2HG2 THR 1 HG22 THR 1 -4.654 4.384 0.308 9 3HG2 THR 1 HG21 THR 1 -3.235 3.552 0.940 10 H ALA 2 HN ALA 2 -2.584 2.794 2.722 11 HA ALA 2 HA ALA 2 0.332 3.288 3.124 12 1HB ALA 2 HB3 ALA 2 -0.817 2.118 5.108 13 2HB ALA 2 HB2 ALA 2 -1.023 0.742 4.026 14 3HB ALA 2 HB1 ALA 2 0.597 1.316 4.425 15 H PHE 3 HN PHE 3 0.980 3.100 1.006 16 HA PHE 3 HA PHE 3 -0.199 1.133 -0.804 17 1HB PHE 3 HB2 PHE 3 2.005 3.170 -0.993 18 2HB PHE 3 HB1 PHE 3 1.862 1.921 -2.230 19 HD1 PHE 3 HD1 PHE 3 -0.588 4.006 -0.285 20 HD2 PHE 3 HD2 PHE 3 0.779 2.682 -4.136 21 HE1 PHE 3 HE1 PHE 3 -2.414 5.283 -1.373 22 HE2 PHE 3 HE2 PHE 3 -1.047 3.959 -5.224 23 HZ PHE 3 HZ PHE 3 -2.643 5.260 -3.843 24 H LEU 4 HN LEU 4 0.829 -0.750 -1.595 25 HA LEU 4 HA LEU 4 3.478 -1.529 -0.615 26 1HB LEU 4 HB2 LEU 4 1.975 -2.072 1.311 27 2HB LEU 4 HB1 LEU 4 1.045 -3.126 0.245 28 HG LEU 4 HG LEU 4 3.311 -4.275 -0.261 29 1HD1 LEU 4 HD11 LEU 4 3.952 -2.615 2.181 30 2HD1 LEU 4 HD13 LEU 4 4.827 -4.102 1.813 31 3HD1 LEU 4 HD12 LEU 4 4.871 -2.751 0.681 32 1HD2 LEU 4 HD21 LEU 4 1.829 -4.436 2.367 33 2HD2 LEU 4 HD23 LEU 4 1.686 -5.498 0.967 34 3HD2 LEU 4 HD22 LEU 4 3.134 -5.554 1.972 35 H TRP 5 HN TRP 5 4.280 -2.260 -2.533 36 HA TRP 5 HA TRP 5 2.756 -4.378 -3.950 37 1HB TRP 5 HB2 TRP 5 3.152 -3.309 -6.134 38 2HB TRP 5 HB1 TRP 5 2.198 -2.257 -5.092 39 HD1 TRP 5 HD1 TRP 5 5.223 -2.289 -7.179 40 HE1 TRP 5 HE1 TRP 5 6.637 -0.170 -6.789 41 HE3 TRP 5 HE3 TRP 5 2.985 -0.496 -2.949 42 HZ2 TRP 5 HZ2 TRP 5 6.800 1.995 -4.931 43 HZ3 TRP 5 HZ3 TRP 5 3.794 1.593 -1.892 44 HH2 TRP 5 HH2 TRP 5 5.695 2.841 -2.877 45 H ALA 6 HN ALA 6 4.087 -5.901 -4.965 46 HA ALA 6 HA ALA 6 6.957 -5.746 -4.233 47 1HB ALA 6 HB1 ALA 6 5.642 -7.810 -3.720 48 2HB ALA 6 HB3 ALA 6 5.390 -8.042 -5.450 49 3HB ALA 6 HB2 ALA 6 7.018 -8.126 -4.778 50 H GLN 7 HN GLN 7 8.303 -4.885 -5.732 51 HA GLN 7 HA GLN 7 7.840 -5.566 -8.600 52 1HB GLN 7 HB2 GLN 7 8.509 -3.234 -9.201 53 2HB GLN 7 HB1 GLN 7 6.998 -3.297 -8.296 54 1HG GLN 7 HG2 GLN 7 8.017 -1.693 -7.023 55 2HG GLN 7 HG1 GLN 7 8.762 -3.088 -6.245 56 1HE2 GLN 7 HE22 GLN 7 12.001 -2.335 -7.427 57 2HE2 GLN 7 HE21 GLN 7 11.027 -3.369 -6.498 58 H ASP 8 HN ASP 8 9.805 -5.478 -9.894 59 HA ASP 8 HA ASP 8 12.247 -5.922 -8.238 60 1HB ASP 8 HB2 ASP 8 13.123 -7.024 -10.342 61 2HB ASP 8 HB1 ASP 8 11.731 -7.831 -9.619 62 H ARG 9 HN ARG 9 14.332 -5.255 -9.462 63 HA ARG 9 HA ARG 9 14.316 -2.433 -9.860 64 1HB ARG 9 HB2 ARG 9 16.630 -2.787 -10.761 65 2HB ARG 9 HB1 ARG 9 16.357 -3.584 -9.211 66 1HG ARG 9 HG2 ARG 9 15.826 -5.695 -10.456 67 2HG ARG 9 HG1 ARG 9 16.287 -4.879 -11.951 68 1HD ARG 9 HD2 ARG 9 18.140 -5.049 -9.568 69 2HD ARG 9 HD1 ARG 9 18.113 -6.278 -10.832 70 HE ARG 9 HE ARG 9 19.182 -3.560 -11.089 71 1HH1 ARG 9 HH11 ARG 9 17.930 -6.369 -12.707 72 2HH1 ARG 9 HH12 ARG 9 18.707 -5.997 -14.209 73 1HH2 ARG 9 HH21 ARG 9 20.185 -3.088 -13.044 74 2HH2 ARG 9 HH22 ARG 9 19.978 -4.147 -14.398 75 H ASP 10 HN ASP 10 13.587 -5.035 -12.017 76 HA ASP 10 HA ASP 10 14.136 -3.570 -14.478 77 1HB ASP 10 HB2 ASP 10 12.553 -6.089 -13.902 78 2HB ASP 10 HB1 ASP 10 12.808 -5.446 -15.525 79 H GLY 11 HN GLY 11 12.117 -2.667 -12.230 80 1HA GLY 11 HA2 GLY 11 10.144 -1.401 -12.202 81 2HA GLY 11 HA1 GLY 11 10.365 -1.199 -13.940 82 H LEU 12 HN LEU 12 9.922 -4.243 -12.163 83 HA LEU 12 HA LEU 12 7.480 -4.725 -13.820 84 1HB LEU 12 HB2 LEU 12 9.657 -6.277 -13.764 85 2HB LEU 12 HB1 LEU 12 8.839 -6.941 -12.350 86 HG LEU 12 HG LEU 12 6.754 -7.129 -13.811 87 1HD1 LEU 12 HD13 LEU 12 8.848 -6.573 -15.930 88 2HD1 LEU 12 HD12 LEU 12 7.261 -7.260 -16.272 89 3HD1 LEU 12 HD11 LEU 12 7.392 -5.632 -15.608 90 1HD2 LEU 12 HD23 LEU 12 8.539 -8.957 -13.230 91 2HD2 LEU 12 HD22 LEU 12 7.368 -9.284 -14.508 92 3HD2 LEU 12 HD21 LEU 12 9.008 -8.786 -14.922 93 H ILE 13 HN ILE 13 5.745 -5.996 -12.716 94 HA ILE 13 HA ILE 13 5.736 -5.755 -9.755 95 HB ILE 13 HB ILE 13 3.436 -4.760 -9.855 96 1HG1 ILE 13 HG12 ILE 13 4.110 -4.255 -12.767 97 2HG1 ILE 13 HG11 ILE 13 3.026 -5.539 -12.230 98 1HG2 ILE 13 HG22 ILE 13 5.673 -3.199 -11.180 99 2HG2 ILE 13 HG21 ILE 13 4.215 -2.478 -10.499 100 3HG2 ILE 13 HG23 ILE 13 5.360 -3.312 -9.449 101 1HD1 ILE 13 HD11 ILE 13 2.584 -2.699 -11.335 102 2HD1 ILE 13 HD13 ILE 13 1.991 -3.244 -12.904 103 3HD1 ILE 13 HD12 ILE 13 1.422 -4.022 -11.425 104 H GLY 14 HN GLY 14 4.440 -7.118 -12.714 105 1HA GLY 14 HA2 GLY 14 3.653 -9.543 -11.245 106 2HA GLY 14 HA1 GLY 14 2.330 -8.692 -12.042 107 H LYS 15 HN LYS 15 2.449 -11.007 -13.111 108 HA LYS 15 HA LYS 15 3.331 -10.647 -15.818 109 1HB LYS 15 HB2 LYS 15 5.525 -11.107 -14.547 110 2HB LYS 15 HB1 LYS 15 4.919 -12.750 -14.339 111 1HG LYS 15 HG2 LYS 15 4.921 -11.499 -17.072 112 2HG LYS 15 HG1 LYS 15 6.408 -12.194 -16.425 113 1HD LYS 15 HD2 LYS 15 4.912 -14.262 -15.871 114 2HD LYS 15 HD1 LYS 15 3.809 -13.568 -17.060 115 1HE LYS 15 HE2 LYS 15 5.425 -13.710 -18.800 116 2HE LYS 15 HE1 LYS 15 6.738 -14.000 -17.659 117 1HZ LYS 15 HZ3 LYS 15 5.526 -16.088 -17.035 118 2HZ LYS 15 HZ2 LYS 15 4.522 -15.829 -18.381 119 3HZ LYS 15 HZ1 LYS 15 6.189 -16.075 -18.596 120 H ASP 16 HN ASP 16 1.686 -11.688 -16.815 121 HA ASP 16 HA ASP 16 0.100 -13.331 -17.343 122 1HB ASP 16 HB2 ASP 16 2.390 -14.832 -16.177 123 2HB ASP 16 HB1 ASP 16 0.856 -15.697 -16.283 124 H GLY 17 HN GLY 17 -0.232 -11.750 -14.916 125 1HA GLY 17 HA2 GLY 17 -2.041 -11.743 -13.355 126 2HA GLY 17 HA1 GLY 17 -2.200 -13.488 -13.568 127 H HIS 18 HN HIS 18 -0.005 -14.653 -12.842 128 HA HIS 18 HA HIS 18 0.299 -14.008 -10.004 129 1HB HIS 18 HB2 HIS 18 1.813 -16.012 -10.009 130 2HB HIS 18 HB1 HIS 18 0.207 -16.351 -10.653 131 HD1 HIS 18 HD1 HIS 18 3.686 -15.447 -11.925 132 HD2 HIS 18 HD2 HIS 18 0.243 -17.413 -13.214 133 HE1 HIS 18 HE1 HIS 18 4.233 -16.441 -14.189 134 H LEU 19 HN LEU 19 2.836 -14.382 -9.302 135 HA LEU 19 HA LEU 19 4.206 -12.042 -10.447 136 1HB LEU 19 HB2 LEU 19 4.663 -13.833 -8.071 137 2HB LEU 19 HB1 LEU 19 5.951 -12.767 -8.636 138 HG LEU 19 HG LEU 19 3.166 -11.716 -8.149 139 1HD1 LEU 19 HD13 LEU 19 5.427 -12.014 -6.150 140 2HD1 LEU 19 HD12 LEU 19 4.001 -11.008 -5.894 141 3HD1 LEU 19 HD11 LEU 19 3.830 -12.756 -6.051 142 1HD2 LEU 19 HD21 LEU 19 5.936 -10.602 -8.505 143 2HD2 LEU 19 HD23 LEU 19 4.433 -10.110 -9.284 144 3HD2 LEU 19 HD22 LEU 19 4.736 -9.677 -7.602 145 HA PRO 20 HA PRO 20 7.020 -14.387 -12.982 146 1HB PRO 20 HB2 PRO 20 9.151 -12.583 -12.954 147 2HB PRO 20 HB1 PRO 20 7.753 -12.511 -14.035 148 1HG PRO 20 HG2 PRO 20 8.447 -10.724 -11.897 149 2HG PRO 20 HG1 PRO 20 7.096 -10.613 -13.033 150 1HD PRO 20 HD2 PRO 20 7.079 -11.476 -10.248 151 2HD PRO 20 HD1 PRO 20 5.713 -11.094 -11.309 152 H TRP 21 HN TRP 21 8.172 -13.153 -9.886 153 HA TRP 21 HA TRP 21 10.307 -15.242 -9.865 154 1HB TRP 21 HB2 TRP 21 11.225 -13.935 -7.930 155 2HB TRP 21 HB1 TRP 21 11.160 -13.007 -9.428 156 HD1 TRP 21 HD1 TRP 21 9.255 -13.457 -6.118 157 HE1 TRP 21 HE1 TRP 21 7.922 -11.302 -5.644 158 HE3 TRP 21 HE3 TRP 21 10.166 -10.889 -10.438 159 HZ2 TRP 21 HZ2 TRP 21 7.321 -8.818 -6.928 160 HZ3 TRP 21 HZ3 TRP 21 9.202 -8.633 -10.786 161 HH2 TRP 21 HH2 TRP 21 7.781 -7.595 -9.039 162 H HIS 22 HN HIS 22 10.658 -16.189 -7.582 163 HA HIS 22 HA HIS 22 7.999 -16.704 -6.305 164 1HB HIS 22 HB2 HIS 22 9.103 -18.618 -7.649 165 2HB HIS 22 HB1 HIS 22 10.279 -18.684 -6.336 166 HD1 HIS 22 HD1 HIS 22 6.465 -18.389 -6.441 167 HD2 HIS 22 HD2 HIS 22 9.448 -20.582 -4.528 168 HE1 HIS 22 HE1 HIS 22 5.285 -19.968 -4.851 169 H LEU 23 HN LEU 23 8.404 -15.057 -4.722 170 HA LEU 23 HA LEU 23 10.703 -15.586 -2.890 171 1HB LEU 23 HB2 LEU 23 10.378 -13.278 -3.966 172 2HB LEU 23 HB1 LEU 23 8.969 -13.108 -2.919 173 HG LEU 23 HG LEU 23 10.438 -13.576 -0.948 174 1HD1 LEU 23 HD11 LEU 23 12.516 -13.626 -3.136 175 2HD1 LEU 23 HD13 LEU 23 12.949 -13.218 -1.475 176 3HD1 LEU 23 HD12 LEU 23 12.255 -14.798 -1.844 177 1HD2 LEU 23 HD22 LEU 23 10.015 -11.229 -2.214 178 2HD2 LEU 23 HD21 LEU 23 11.000 -11.355 -0.756 179 3HD2 LEU 23 HD23 LEU 23 11.772 -11.307 -2.341 180 HA PRO 24 HA PRO 24 7.009 -17.548 -0.776 181 1HB PRO 24 HB2 PRO 24 9.072 -18.674 0.945 182 2HB PRO 24 HB1 PRO 24 7.919 -19.508 -0.104 183 1HG PRO 24 HG2 PRO 24 10.709 -19.049 -0.549 184 2HG PRO 24 HG1 PRO 24 9.561 -19.921 -1.572 185 1HD PRO 24 HD2 PRO 24 10.769 -17.459 -2.164 186 2HD PRO 24 HD1 PRO 24 9.395 -18.183 -3.012 187 H ASP 25 HN ASP 25 9.887 -15.946 0.552 188 HA ASP 25 HA ASP 25 8.863 -15.454 3.176 189 1HB ASP 25 HB2 ASP 25 11.269 -15.112 2.164 190 2HB ASP 25 HB1 ASP 25 10.675 -13.490 1.803 191 H ASP 26 HN ASP 26 8.758 -13.487 0.200 192 HA ASP 26 HA ASP 26 7.392 -11.249 1.340 193 1HB ASP 26 HB2 ASP 26 8.520 -11.236 -0.889 194 2HB ASP 26 HB1 ASP 26 7.236 -12.272 -1.513 195 H LEU 27 HN LEU 27 6.216 -14.262 -0.122 196 HA LEU 27 HA LEU 27 3.437 -13.586 -0.157 197 1HB LEU 27 HB2 LEU 27 4.836 -16.264 0.095 198 2HB LEU 27 HB1 LEU 27 3.097 -16.084 -0.145 199 HG LEU 27 HG LEU 27 5.199 -14.927 -1.998 200 1HD1 LEU 27 HD12 LEU 27 5.011 -17.495 -1.864 201 2HD1 LEU 27 HD11 LEU 27 3.403 -17.291 -2.559 202 3HD1 LEU 27 HD13 LEU 27 4.825 -16.761 -3.458 203 1HD2 LEU 27 HD22 LEU 27 2.183 -15.068 -1.999 204 2HD2 LEU 27 HD21 LEU 27 3.218 -13.659 -2.238 205 3HD2 LEU 27 HD23 LEU 27 3.085 -14.881 -3.503 206 H HIS 28 HN HIS 28 5.583 -14.478 2.425 207 HA HIS 28 HA HIS 28 3.379 -15.154 4.267 208 1HB HIS 28 HB2 HIS 28 6.386 -15.011 4.553 209 2HB HIS 28 HB1 HIS 28 5.325 -15.264 5.940 210 HD1 HIS 28 HD1 HIS 28 3.385 -17.280 5.264 211 HD2 HIS 28 HD2 HIS 28 7.185 -17.448 3.556 212 HE1 HIS 28 HE1 HIS 28 3.717 -19.667 4.487 213 H TYR 29 HN TYR 29 5.467 -12.451 3.481 214 HA TYR 29 HA TYR 29 4.894 -10.912 5.872 215 1HB TYR 29 HB2 TYR 29 6.878 -10.565 4.331 216 2HB TYR 29 HB1 TYR 29 5.760 -9.853 3.168 217 HD1 TYR 29 HD2 TYR 29 6.367 -9.622 6.872 218 HD2 TYR 29 HD1 TYR 29 5.689 -7.533 3.180 219 HE1 TYR 29 HE2 TYR 29 6.492 -7.455 8.074 220 HE2 TYR 29 HE1 TYR 29 5.814 -5.368 4.382 221 HH TYR 29 HH TYR 29 6.289 -4.366 6.320 222 H PHE 30 HN PHE 30 3.295 -11.418 2.813 223 HA PHE 30 HA PHE 30 1.647 -9.074 2.786 224 1HB PHE 30 HB2 PHE 30 1.977 -10.693 0.869 225 2HB PHE 30 HB1 PHE 30 0.908 -11.811 1.717 226 HD1 PHE 30 HD2 PHE 30 1.101 -8.379 0.270 227 HD2 PHE 30 HD1 PHE 30 -1.449 -11.555 1.634 228 HE1 PHE 30 HE2 PHE 30 -0.873 -7.186 -0.642 229 HE2 PHE 30 HE1 PHE 30 -3.422 -10.363 0.722 230 HZ PHE 30 HZ PHE 30 -3.135 -8.178 -0.416 231 H ARG 31 HN ARG 31 1.123 -12.336 4.129 232 HA ARG 31 HA ARG 31 -1.526 -11.808 5.116 233 1HB ARG 31 HB2 ARG 31 -0.417 -14.089 4.802 234 2HB ARG 31 HB1 ARG 31 0.443 -13.771 6.309 235 1HG ARG 31 HG2 ARG 31 -1.719 -13.458 7.471 236 2HG ARG 31 HG1 ARG 31 -2.570 -13.809 5.967 237 1HD ARG 31 HD2 ARG 31 -2.570 -15.910 6.966 238 2HD ARG 31 HD1 ARG 31 -1.096 -15.999 6.001 239 HE ARG 31 HE ARG 31 -0.314 -14.960 8.487 240 1HH1 ARG 31 HH11 ARG 31 -1.833 -17.834 7.261 241 2HH1 ARG 31 HH12 ARG 31 -1.208 -18.846 8.520 242 1HH2 ARG 31 HH21 ARG 31 0.491 -16.282 10.117 243 2HH2 ARG 31 HH22 ARG 31 0.101 -17.970 10.129 244 H ALA 32 HN ALA 32 1.670 -11.104 6.329 245 HA ALA 32 HA ALA 32 0.812 -10.594 9.071 246 1HB ALA 32 HB3 ALA 32 3.165 -11.232 8.402 247 2HB ALA 32 HB2 ALA 32 3.332 -9.626 7.691 248 3HB ALA 32 HB1 ALA 32 3.067 -9.799 9.426 249 H GLN 33 HN GLN 33 1.147 -8.735 6.112 250 HA GLN 33 HA GLN 33 0.494 -6.231 7.589 251 1HB GLN 33 HB2 GLN 33 1.727 -6.835 4.920 252 2HB GLN 33 HB1 GLN 33 0.906 -5.292 5.157 253 1HG GLN 33 HG2 GLN 33 2.339 -5.209 7.370 254 2HG GLN 33 HG1 GLN 33 3.367 -6.353 6.507 255 1HE2 GLN 33 HE22 GLN 33 3.812 -3.815 3.788 256 2HE2 GLN 33 HE21 GLN 33 3.153 -5.378 3.863 257 H THR 34 HN THR 34 -1.511 -8.285 7.213 258 HA THR 34 HA THR 34 -3.490 -6.678 5.694 259 HB THR 34 HB THR 34 -4.370 -8.842 4.681 260 HG1 THR 34 HG1 THR 34 -1.902 -9.986 4.793 261 1HG2 THR 34 HG21 THR 34 -1.626 -7.812 3.920 262 2HG2 THR 34 HG23 THR 34 -2.591 -8.883 2.902 263 3HG2 THR 34 HG22 THR 34 -3.181 -7.266 3.288 264 H VAL 35 HN VAL 35 -2.720 -9.140 8.067 265 HA VAL 35 HA VAL 35 -5.428 -9.705 8.885 266 HB VAL 35 HB VAL 35 -4.332 -10.600 10.956 267 1HG1 VAL 35 HG13 VAL 35 -3.375 -11.330 8.197 268 2HG1 VAL 35 HG12 VAL 35 -2.765 -12.199 9.605 269 3HG1 VAL 35 HG11 VAL 35 -4.492 -12.200 9.249 270 1HG2 VAL 35 HG21 VAL 35 -1.879 -9.436 9.607 271 2HG2 VAL 35 HG23 VAL 35 -2.509 -9.030 11.203 272 3HG2 VAL 35 HG22 VAL 35 -1.804 -10.619 10.913 273 H GLY 36 HN GLY 36 -6.766 -8.476 10.116 274 1HA GLY 36 HA2 GLY 36 -7.452 -6.883 11.721 275 2HA GLY 36 HA1 GLY 36 -5.759 -6.656 12.162 276 H LYS 37 HN LYS 37 -6.976 -6.371 8.868 277 HA LYS 37 HA LYS 37 -7.043 -3.437 8.979 278 1HB LYS 37 HB2 LYS 37 -4.837 -4.965 7.593 279 2HB LYS 37 HB1 LYS 37 -5.304 -3.344 7.076 280 1HG LYS 37 HG2 LYS 37 -5.007 -2.637 9.518 281 2HG LYS 37 HG1 LYS 37 -4.216 -4.194 9.766 282 1HD LYS 37 HD2 LYS 37 -2.529 -3.669 8.107 283 2HD LYS 37 HD1 LYS 37 -3.372 -2.186 7.658 284 1HE LYS 37 HE2 LYS 37 -2.922 -1.183 9.793 285 2HE LYS 37 HE1 LYS 37 -2.341 -2.711 10.456 286 1HZ LYS 37 HZ1 LYS 37 -1.053 -1.485 8.100 287 2HZ LYS 37 HZ3 LYS 37 -0.628 -1.005 9.670 288 3HZ LYS 37 HZ2 LYS 37 -0.417 -2.621 9.192 289 H ILE 38 HN ILE 38 -7.623 -2.546 6.779 290 HA ILE 38 HA ILE 38 -9.550 -4.367 5.480 291 HB ILE 38 HB ILE 38 -8.990 -1.442 4.906 292 1HG1 ILE 38 HG12 ILE 38 -11.181 -2.625 6.636 293 2HG1 ILE 38 HG11 ILE 38 -9.680 -1.970 7.293 294 1HG2 ILE 38 HG21 ILE 38 -11.298 -3.296 4.249 295 2HG2 ILE 38 HG23 ILE 38 -11.332 -1.549 4.007 296 3HG2 ILE 38 HG22 ILE 38 -10.189 -2.542 3.103 297 1HD1 ILE 38 HD12 ILE 38 -10.183 0.191 6.112 298 2HD1 ILE 38 HD11 ILE 38 -11.752 -0.477 5.660 299 3HD1 ILE 38 HD13 ILE 38 -11.359 -0.222 7.360 300 H MET 39 HN MET 39 -8.626 -5.687 3.972 301 HA MET 39 HA MET 39 -6.331 -4.801 2.373 302 1HB MET 39 HB2 MET 39 -6.710 -7.183 3.220 303 2HB MET 39 HB1 MET 39 -7.962 -7.320 1.985 304 1HG MET 39 HG2 MET 39 -6.208 -6.585 0.293 305 2HG MET 39 HG1 MET 39 -5.010 -6.803 1.568 306 1HE MET 39 HE2 MET 39 -7.887 -8.000 -0.207 307 2HE MET 39 HE1 MET 39 -7.387 -9.522 -0.941 308 3HE MET 39 HE3 MET 39 -8.239 -9.521 0.608 309 H VAL 40 HN VAL 40 -6.876 -3.273 0.857 310 HA VAL 40 HA VAL 40 -9.366 -3.622 -0.721 311 HB VAL 40 HB VAL 40 -7.350 -1.358 -0.800 312 1HG1 VAL 40 HG11 VAL 40 -8.806 -1.567 -2.791 313 2HG1 VAL 40 HG13 VAL 40 -10.227 -1.560 -1.745 314 3HG1 VAL 40 HG12 VAL 40 -9.206 -0.127 -1.854 315 1HG2 VAL 40 HG22 VAL 40 -9.870 -1.767 0.831 316 2HG2 VAL 40 HG21 VAL 40 -8.248 -1.413 1.425 317 3HG2 VAL 40 HG23 VAL 40 -9.158 -0.177 0.559 318 H VAL 41 HN VAL 41 -9.295 -4.509 -2.724 319 HA VAL 41 HA VAL 41 -6.769 -4.348 -4.288 320 HB VAL 41 HB VAL 41 -7.037 -6.763 -4.911 321 1HG1 VAL 41 HG12 VAL 41 -5.613 -5.794 -2.941 322 2HG1 VAL 41 HG11 VAL 41 -6.818 -6.573 -1.916 323 3HG1 VAL 41 HG13 VAL 41 -5.858 -7.537 -3.039 324 1HG2 VAL 41 HG23 VAL 41 -9.491 -6.803 -4.232 325 2HG2 VAL 41 HG22 VAL 41 -8.535 -8.174 -3.668 326 3HG2 VAL 41 HG21 VAL 41 -8.943 -6.866 -2.557 327 H GLY 42 HN GLY 42 -7.173 -4.958 -6.614 328 1HA GLY 42 HA2 GLY 42 -9.760 -3.830 -7.477 329 2HA GLY 42 HA1 GLY 42 -8.379 -4.169 -8.520 330 H ARG 43 HN ARG 43 -10.005 -5.201 -9.949 331 HA ARG 43 HA ARG 43 -11.248 -7.694 -9.002 332 1HB ARG 43 HB2 ARG 43 -12.276 -6.069 -10.702 333 2HB ARG 43 HB1 ARG 43 -11.109 -6.712 -11.859 334 1HG ARG 43 HG2 ARG 43 -12.012 -9.044 -11.055 335 2HG ARG 43 HG1 ARG 43 -13.409 -8.107 -10.521 336 1HD ARG 43 HD2 ARG 43 -13.999 -8.695 -12.715 337 2HD ARG 43 HD1 ARG 43 -13.330 -7.075 -12.916 338 HE ARG 43 HE ARG 43 -11.116 -8.562 -13.333 339 1HH1 ARG 43 HH11 ARG 43 -14.379 -8.988 -14.449 340 2HH1 ARG 43 HH12 ARG 43 -13.901 -9.789 -15.909 341 1HH2 ARG 43 HH21 ARG 43 -10.509 -9.602 -15.231 342 2HH2 ARG 43 HH22 ARG 43 -11.721 -10.133 -16.349 343 H ARG 44 HN ARG 44 -8.547 -6.697 -11.062 344 HA ARG 44 HA ARG 44 -7.914 -9.348 -12.017 345 1HB ARG 44 HB2 ARG 44 -6.316 -6.785 -11.825 346 2HB ARG 44 HB1 ARG 44 -5.649 -8.269 -12.505 347 1HG ARG 44 HG2 ARG 44 -7.650 -8.329 -14.065 348 2HG ARG 44 HG1 ARG 44 -8.040 -6.703 -13.501 349 1HD ARG 44 HD2 ARG 44 -6.740 -6.431 -15.499 350 2HD ARG 44 HD1 ARG 44 -5.673 -6.035 -14.151 351 HE ARG 44 HE ARG 44 -5.517 -8.840 -14.939 352 1HH1 ARG 44 HH11 ARG 44 -4.382 -5.612 -15.538 353 2HH1 ARG 44 HH12 ARG 44 -2.890 -6.139 -16.241 354 1HH2 ARG 44 HH21 ARG 44 -3.578 -9.513 -15.854 355 2HH2 ARG 44 HH22 ARG 44 -2.438 -8.338 -16.419 356 H THR 45 HN THR 45 -6.884 -7.418 -9.231 357 HA THR 45 HA THR 45 -4.883 -9.346 -8.361 358 HB THR 45 HB THR 45 -6.229 -7.213 -6.684 359 HG1 THR 45 HG1 THR 45 -3.919 -6.380 -7.574 360 1HG2 THR 45 HG21 THR 45 -4.686 -9.035 -5.691 361 2HG2 THR 45 HG23 THR 45 -3.385 -8.202 -6.542 362 3HG2 THR 45 HG22 THR 45 -4.316 -7.353 -5.308 363 H TYR 46 HN TYR 46 -8.304 -8.818 -7.793 364 HA TYR 46 HA TYR 46 -8.560 -10.475 -5.456 365 1HB TYR 46 HB2 TYR 46 -10.266 -8.805 -6.417 366 2HB TYR 46 HB1 TYR 46 -10.707 -10.085 -7.546 367 HD1 TYR 46 HD2 TYR 46 -10.221 -9.455 -3.885 368 HD2 TYR 46 HD1 TYR 46 -12.268 -11.713 -6.911 369 HE1 TYR 46 HE2 TYR 46 -11.634 -10.509 -2.141 370 HE2 TYR 46 HE1 TYR 46 -13.682 -12.767 -5.168 371 HH TYR 46 HH TYR 46 -14.197 -12.831 -3.012 372 H GLU 47 HN GLU 47 -8.567 -11.141 -8.920 373 HA GLU 47 HA GLU 47 -9.358 -13.941 -8.555 374 1HB GLU 47 HB2 GLU 47 -8.474 -12.281 -10.916 375 2HB GLU 47 HB1 GLU 47 -8.659 -14.030 -11.044 376 1HG GLU 47 HG2 GLU 47 -11.002 -13.676 -10.027 377 2HG GLU 47 HG1 GLU 47 -10.772 -11.969 -10.411 378 H SER 48 HN SER 48 -6.412 -12.102 -8.639 379 HA SER 48 HA SER 48 -4.585 -14.163 -9.412 380 1HB SER 48 HB2 SER 48 -4.194 -11.601 -9.048 381 2HB SER 48 HB1 SER 48 -3.881 -12.060 -7.376 382 HG SER 48 HG SER 48 -1.943 -12.259 -8.327 383 H PHE 49 HN PHE 49 -6.240 -13.479 -6.404 384 HA PHE 49 HA PHE 49 -4.567 -15.020 -4.656 385 1HB PHE 49 HB2 PHE 49 -7.539 -14.434 -4.472 386 2HB PHE 49 HB1 PHE 49 -6.537 -15.045 -3.156 387 HD1 PHE 49 HD1 PHE 49 -4.172 -13.599 -3.021 388 HD2 PHE 49 HD2 PHE 49 -8.005 -12.164 -4.325 389 HE1 PHE 49 HE1 PHE 49 -3.495 -11.280 -2.457 390 HE2 PHE 49 HE2 PHE 49 -7.328 -9.845 -3.762 391 HZ PHE 49 HZ PHE 49 -5.074 -9.403 -2.828 392 HA PRO 50 HA PRO 50 -5.789 -19.191 -5.613 393 1HB PRO 50 HB2 PRO 50 -5.629 -20.277 -3.037 394 2HB PRO 50 HB1 PRO 50 -4.281 -20.081 -4.166 395 1HG PRO 50 HG2 PRO 50 -4.733 -18.705 -1.697 396 2HG PRO 50 HG1 PRO 50 -3.377 -18.530 -2.819 397 1HD PRO 50 HD2 PRO 50 -5.689 -16.782 -2.441 398 2HD PRO 50 HD1 PRO 50 -4.173 -16.463 -3.299 399 H LYS 51 HN LYS 51 -7.142 -18.597 -2.348 400 HA LYS 51 HA LYS 51 -9.808 -19.438 -3.421 401 1HB LYS 51 HB2 LYS 51 -8.668 -19.901 -0.647 402 2HB LYS 51 HB1 LYS 51 -10.278 -20.378 -1.186 403 1HG LYS 51 HG2 LYS 51 -8.997 -21.625 -3.093 404 2HG LYS 51 HG1 LYS 51 -7.607 -21.485 -2.015 405 1HD LYS 51 HD2 LYS 51 -8.490 -23.513 -1.306 406 2HD LYS 51 HD1 LYS 51 -9.315 -22.401 -0.213 407 1HE LYS 51 HE2 LYS 51 -10.564 -23.029 -2.868 408 2HE LYS 51 HE1 LYS 51 -10.706 -24.196 -1.554 409 1HZ LYS 51 HZ3 LYS 51 -11.487 -22.270 -0.159 410 2HZ LYS 51 HZ2 LYS 51 -11.627 -21.383 -1.602 411 3HZ LYS 51 HZ1 LYS 51 -12.556 -22.787 -1.370 412 H ARG 52 HN ARG 52 -10.830 -17.476 -3.661 413 HA ARG 52 HA ARG 52 -10.557 -15.427 -1.536 414 1HB ARG 52 HB2 ARG 52 -12.025 -15.338 -4.191 415 2HB ARG 52 HB1 ARG 52 -11.793 -13.973 -3.098 416 1HG ARG 52 HG2 ARG 52 -9.965 -13.601 -4.428 417 2HG ARG 52 HG1 ARG 52 -9.227 -14.784 -3.347 418 1HD ARG 52 HD2 ARG 52 -8.815 -15.376 -5.706 419 2HD ARG 52 HD1 ARG 52 -9.821 -16.592 -4.919 420 HE ARG 52 HE ARG 52 -11.435 -14.565 -6.212 421 1HH1 ARG 52 HH21 ARG 52 -9.532 -17.423 -6.743 422 2HH1 ARG 52 HH22 ARG 52 -10.399 -17.877 -8.173 423 1HH2 ARG 52 HH11 ARG 52 -12.550 -15.165 -8.068 424 2HH2 ARG 52 HH12 ARG 52 -12.098 -16.604 -8.919 425 HA PRO 53 HA PRO 53 -11.796 -13.561 -1.075 426 1HB PRO 53 HB2 PRO 53 -12.986 -12.820 1.350 427 2HB PRO 53 HB1 PRO 53 -13.517 -12.321 -0.261 428 1HG PRO 53 HG2 PRO 53 -14.859 -14.046 1.584 429 2HG PRO 53 HG1 PRO 53 -15.393 -13.533 -0.023 430 1HD PRO 53 HD2 PRO 53 -14.230 -16.089 0.804 431 2HD PRO 53 HD1 PRO 53 -15.087 -15.678 -0.691 432 H LEU 54 HN LEU 54 -10.305 -12.712 0.653 433 HA LEU 54 HA LEU 54 -8.937 -14.934 1.973 434 1HB LEU 54 HB2 LEU 54 -8.383 -11.961 1.835 435 2HB LEU 54 HB1 LEU 54 -7.352 -13.099 2.704 436 HG LEU 54 HG LEU 54 -8.077 -13.449 -0.213 437 1HD1 LEU 54 HD12 LEU 54 -5.972 -11.790 1.107 438 2HD1 LEU 54 HD11 LEU 54 -5.514 -12.696 -0.335 439 3HD1 LEU 54 HD13 LEU 54 -6.826 -11.519 -0.412 440 1HD2 LEU 54 HD23 LEU 54 -6.137 -14.710 1.724 441 2HD2 LEU 54 HD22 LEU 54 -7.307 -15.500 0.666 442 3HD2 LEU 54 HD21 LEU 54 -5.848 -14.779 -0.015 443 HA PRO 55 HA PRO 55 -11.139 -14.187 5.847 444 1HB PRO 55 HB2 PRO 55 -9.810 -16.197 7.249 445 2HB PRO 55 HB1 PRO 55 -11.286 -16.410 6.296 446 1HG PRO 55 HG2 PRO 55 -8.637 -17.395 5.748 447 2HG PRO 55 HG1 PRO 55 -10.140 -17.711 4.870 448 1HD PRO 55 HD2 PRO 55 -7.957 -15.931 4.156 449 2HD PRO 55 HD1 PRO 55 -9.357 -16.423 3.190 450 H GLU 56 HN GLU 56 -10.404 -13.919 8.231 451 HA GLU 56 HA GLU 56 -9.089 -12.770 9.792 452 1HB GLU 56 HB2 GLU 56 -6.762 -13.589 8.027 453 2HB GLU 56 HB1 GLU 56 -6.694 -13.133 9.730 454 1HG GLU 56 HG2 GLU 56 -8.222 -15.078 10.229 455 2HG GLU 56 HG1 GLU 56 -8.034 -15.580 8.548 456 H ARG 57 HN ARG 57 -10.108 -11.431 7.314 457 HA ARG 57 HA ARG 57 -8.933 -8.860 7.718 458 1HB ARG 57 HB2 ARG 57 -7.792 -8.598 5.515 459 2HB ARG 57 HB1 ARG 57 -6.993 -9.780 6.551 460 1HG ARG 57 HG2 ARG 57 -8.539 -11.508 5.334 461 2HG ARG 57 HG1 ARG 57 -8.683 -10.247 4.108 462 1HD ARG 57 HD2 ARG 57 -6.797 -11.270 3.290 463 2HD ARG 57 HD1 ARG 57 -6.013 -10.200 4.450 464 HE ARG 57 HE ARG 57 -6.532 -12.431 5.962 465 1HH1 ARG 57 HH21 ARG 57 -5.055 -11.923 2.858 466 2HH1 ARG 57 HH22 ARG 57 -4.011 -13.297 2.998 467 1HH2 ARG 57 HH11 ARG 57 -5.171 -14.211 6.131 468 2HH2 ARG 57 HH12 ARG 57 -4.077 -14.586 4.842 469 H THR 58 HN THR 58 -9.592 -7.382 5.701 470 HA THR 58 HA THR 58 -12.390 -8.165 5.019 471 HB THR 58 HB THR 58 -11.227 -5.391 4.765 472 HG1 THR 58 HG1 THR 58 -12.175 -5.110 6.896 473 1HG2 THR 58 HG22 THR 58 -13.993 -6.574 5.067 474 2HG2 THR 58 HG21 THR 58 -13.667 -4.852 5.265 475 3HG2 THR 58 HG23 THR 58 -13.359 -5.634 3.714 476 H ASN 59 HN ASN 59 -13.104 -7.999 2.853 477 HA ASN 59 HA ASN 59 -10.910 -7.742 0.833 478 1HB ASN 59 HB2 ASN 59 -13.361 -9.499 0.941 479 2HB ASN 59 HB1 ASN 59 -12.550 -9.157 -0.588 480 1HD2 ASN 59 HD22 ASN 59 -10.446 -11.268 2.259 481 2HD2 ASN 59 HD21 ASN 59 -11.605 -10.137 2.766 482 H VAL 60 HN VAL 60 -11.154 -5.571 0.284 483 HA VAL 60 HA VAL 60 -13.874 -4.645 -0.511 484 HB VAL 60 HB VAL 60 -11.340 -3.017 -0.148 485 1HG1 VAL 60 HG11 VAL 60 -13.109 -2.035 -1.607 486 2HG1 VAL 60 HG13 VAL 60 -14.258 -2.198 -0.280 487 3HG1 VAL 60 HG12 VAL 60 -12.875 -1.115 -0.120 488 1HG2 VAL 60 HG22 VAL 60 -12.091 -4.136 1.955 489 2HG2 VAL 60 HG21 VAL 60 -12.263 -2.382 2.028 490 3HG2 VAL 60 HG23 VAL 60 -13.679 -3.396 1.750 491 H VAL 61 HN VAL 61 -14.157 -5.326 -2.616 492 HA VAL 61 HA VAL 61 -11.948 -5.102 -4.558 493 HB VAL 61 HB VAL 61 -14.824 -5.949 -5.014 494 1HG1 VAL 61 HG11 VAL 61 -13.502 -5.285 -7.029 495 2HG1 VAL 61 HG13 VAL 61 -12.294 -6.496 -6.596 496 3HG1 VAL 61 HG12 VAL 61 -13.929 -6.997 -7.029 497 1HG2 VAL 61 HG22 VAL 61 -12.357 -7.602 -4.380 498 2HG2 VAL 61 HG21 VAL 61 -13.754 -7.381 -3.327 499 3HG2 VAL 61 HG23 VAL 61 -13.926 -8.259 -4.845 500 H LEU 62 HN LEU 62 -11.619 -3.236 -5.647 501 HA LEU 62 HA LEU 62 -13.858 -1.279 -5.842 502 1HB LEU 62 HB2 LEU 62 -11.622 -0.587 -4.865 503 2HB LEU 62 HB1 LEU 62 -10.929 -0.827 -6.470 504 HG LEU 62 HG LEU 62 -12.797 0.744 -7.308 505 1HD1 LEU 62 HD11 LEU 62 -12.998 1.018 -4.323 506 2HD1 LEU 62 HD13 LEU 62 -13.322 2.417 -5.347 507 3HD1 LEU 62 HD12 LEU 62 -14.289 0.954 -5.523 508 1HD2 LEU 62 HD22 LEU 62 -10.309 1.270 -6.966 509 2HD2 LEU 62 HD21 LEU 62 -11.404 2.652 -6.964 510 3HD2 LEU 62 HD23 LEU 62 -10.785 2.015 -5.441 511 H THR 63 HN THR 63 -15.011 -1.681 -7.685 512 HA THR 63 HA THR 63 -13.497 -1.732 -10.250 513 HB THR 63 HB THR 63 -14.024 -4.065 -9.798 514 HG1 THR 63 HG1 THR 63 -14.847 -4.379 -11.722 515 1HG2 THR 63 HG21 THR 63 -16.828 -3.020 -9.337 516 2HG2 THR 63 HG23 THR 63 -16.435 -4.730 -9.516 517 3HG2 THR 63 HG22 THR 63 -15.781 -3.812 -8.160 518 H HIS 64 HN HIS 64 -14.710 -0.884 -12.036 519 HA HIS 64 HA HIS 64 -16.943 0.881 -11.188 520 1HB HIS 64 HB2 HIS 64 -16.570 1.959 -13.424 521 2HB HIS 64 HB1 HIS 64 -15.145 1.994 -12.386 522 HD1 HIS 64 HD1 HIS 64 -13.053 0.941 -13.297 523 HD2 HIS 64 HD2 HIS 64 -16.438 -0.214 -15.440 524 HE1 HIS 64 HE1 HIS 64 -12.224 -0.399 -15.280 525 H GLN 65 HN GLN 65 -16.220 -1.848 -13.271 526 HA GLN 65 HA GLN 65 -18.702 -1.755 -14.767 527 1HB GLN 65 HB2 GLN 65 -16.533 -2.979 -15.410 528 2HB GLN 65 HB1 GLN 65 -17.035 -4.227 -14.268 529 1HG GLN 65 HG2 GLN 65 -19.096 -4.601 -15.487 530 2HG GLN 65 HG1 GLN 65 -18.760 -3.237 -16.554 531 1HE2 GLN 65 HE22 GLN 65 -15.866 -5.125 -17.985 532 2HE2 GLN 65 HE21 GLN 65 -16.040 -3.656 -17.154 533 H GLU 66 HN GLU 66 -20.680 -2.317 -14.020 534 HA GLU 66 HA GLU 66 -20.953 -3.552 -11.372 535 1HB GLU 66 HB2 GLU 66 -23.042 -2.711 -13.405 536 2HB GLU 66 HB1 GLU 66 -23.381 -3.231 -11.754 537 1HG GLU 66 HG2 GLU 66 -22.386 -1.324 -10.813 538 2HG GLU 66 HG1 GLU 66 -21.458 -0.972 -12.272 539 H ASP 67 HN ASP 67 -19.773 -5.144 -13.574 540 HA ASP 67 HA ASP 67 -21.867 -7.225 -13.983 541 1HB ASP 67 HB2 ASP 67 -19.218 -6.649 -15.317 542 2HB ASP 67 HB1 ASP 67 -20.038 -8.197 -15.526 543 H TYR 68 HN TYR 68 -18.680 -6.673 -12.561 544 HA TYR 68 HA TYR 68 -18.252 -9.445 -11.810 545 1HB TYR 68 HB2 TYR 68 -16.475 -7.600 -12.069 546 2HB TYR 68 HB1 TYR 68 -16.991 -7.044 -10.477 547 HD1 TYR 68 HD2 TYR 68 -15.999 -10.201 -12.246 548 HD2 TYR 68 HD1 TYR 68 -15.975 -7.956 -8.585 549 HE1 TYR 68 HE2 TYR 68 -14.607 -11.955 -11.181 550 HE2 TYR 68 HE1 TYR 68 -14.582 -9.709 -7.519 551 HH TYR 68 HH TYR 68 -13.416 -12.510 -9.377 552 H GLN 69 HN GLN 69 -18.648 -10.416 -9.804 553 HA GLN 69 HA GLN 69 -19.938 -8.801 -7.677 554 1HB GLN 69 HB2 GLN 69 -21.200 -11.280 -8.892 555 2HB GLN 69 HB1 GLN 69 -21.809 -10.404 -7.487 556 1HG GLN 69 HG2 GLN 69 -21.979 -8.349 -8.929 557 2HG GLN 69 HG1 GLN 69 -21.562 -9.354 -10.319 558 1HE2 GLN 69 HE22 GLN 69 -25.338 -9.438 -8.855 559 2HE2 GLN 69 HE21 GLN 69 -24.152 -8.418 -8.196 560 H ALA 70 HN ALA 70 -18.357 -9.235 -6.164 561 HA ALA 70 HA ALA 70 -17.345 -11.989 -5.834 562 1HB ALA 70 HB2 ALA 70 -15.854 -9.949 -5.672 563 2HB ALA 70 HB1 ALA 70 -16.695 -9.536 -4.179 564 3HB ALA 70 HB3 ALA 70 -15.766 -11.031 -4.282 565 H GLN 71 HN GLN 71 -18.400 -13.386 -4.526 566 HA GLN 71 HA GLN 71 -20.439 -12.421 -2.648 567 1HB GLN 71 HB2 GLN 71 -19.479 -15.144 -3.524 568 2HB GLN 71 HB1 GLN 71 -20.577 -14.963 -2.156 569 1HG GLN 71 HG2 GLN 71 -22.123 -13.658 -3.635 570 2HG GLN 71 HG1 GLN 71 -21.058 -14.019 -4.996 571 1HE2 GLN 71 HE22 GLN 71 -21.837 -17.609 -4.789 572 2HE2 GLN 71 HE21 GLN 71 -20.460 -16.622 -4.893 573 H GLY 72 HN GLY 72 -20.211 -12.304 -0.441 574 1HA GLY 72 HA2 GLY 72 -19.222 -12.526 1.689 575 2HA GLY 72 HA1 GLY 72 -18.110 -13.709 0.999 576 H ALA 73 HN ALA 73 -18.623 -10.377 -0.105 577 HA ALA 73 HA ALA 73 -16.124 -9.441 1.107 578 1HB ALA 73 HB2 ALA 73 -16.360 -9.821 -1.893 579 2HB ALA 73 HB1 ALA 73 -15.089 -8.884 -1.106 580 3HB ALA 73 HB3 ALA 73 -15.212 -10.620 -0.819 581 H VAL 74 HN VAL 74 -15.844 -7.126 0.792 582 HA VAL 74 HA VAL 74 -18.408 -5.738 0.452 583 HB VAL 74 HB VAL 74 -15.662 -4.572 0.991 584 1HG1 VAL 74 HG12 VAL 74 -17.377 -2.965 0.215 585 2HG1 VAL 74 HG11 VAL 74 -18.460 -3.512 1.495 586 3HG1 VAL 74 HG13 VAL 74 -16.956 -2.688 1.904 587 1HG2 VAL 74 HG22 VAL 74 -17.817 -5.585 2.869 588 2HG2 VAL 74 HG21 VAL 74 -16.160 -6.176 2.734 589 3HG2 VAL 74 HG23 VAL 74 -16.473 -4.566 3.384 590 H VAL 75 HN VAL 75 -18.908 -5.805 -1.757 591 HA VAL 75 HA VAL 75 -16.924 -5.070 -3.779 592 HB VAL 75 HB VAL 75 -19.929 -5.358 -4.073 593 1HG1 VAL 75 HG12 VAL 75 -18.503 -4.199 -5.883 594 2HG1 VAL 75 HG11 VAL 75 -17.783 -5.786 -6.155 595 3HG1 VAL 75 HG13 VAL 75 -19.513 -5.549 -6.401 596 1HG2 VAL 75 HG22 VAL 75 -17.687 -7.390 -4.279 597 2HG2 VAL 75 HG21 VAL 75 -19.054 -7.424 -3.165 598 3HG2 VAL 75 HG23 VAL 75 -19.317 -7.670 -4.891 599 H VAL 76 HN VAL 76 -16.284 -2.938 -3.544 600 HA VAL 76 HA VAL 76 -18.384 -0.852 -3.258 601 HB VAL 76 HB VAL 76 -16.427 0.675 -2.892 602 1HG1 VAL 76 HG11 VAL 76 -17.635 -0.681 -1.067 603 2HG1 VAL 76 HG13 VAL 76 -16.230 -1.747 -1.097 604 3HG1 VAL 76 HG12 VAL 76 -16.039 -0.047 -0.663 605 1HG2 VAL 76 HG22 VAL 76 -14.917 -1.939 -3.184 606 2HG2 VAL 76 HG21 VAL 76 -14.727 -0.486 -4.165 607 3HG2 VAL 76 HG23 VAL 76 -14.220 -0.482 -2.476 608 H HIS 77 HN HIS 77 -18.237 1.062 -4.694 609 HA HIS 77 HA HIS 77 -16.889 0.546 -7.299 610 1HB HIS 77 HB2 HIS 77 -19.824 1.210 -6.919 611 2HB HIS 77 HB1 HIS 77 -18.987 1.291 -8.470 612 HD1 HIS 77 HD1 HIS 77 -18.695 -0.869 -9.737 613 HD2 HIS 77 HD2 HIS 77 -19.864 -1.511 -5.786 614 HE1 HIS 77 HE1 HIS 77 -19.172 -3.348 -9.524 615 H ASP 78 HN ASP 78 -16.387 2.392 -5.039 616 HA ASP 78 HA ASP 78 -16.035 4.825 -6.588 617 1HB ASP 78 HB2 ASP 78 -18.489 4.840 -5.740 618 2HB ASP 78 HB1 ASP 78 -17.784 5.131 -4.150 619 H VAL 79 HN VAL 79 -14.519 6.207 -5.588 620 HA VAL 79 HA VAL 79 -12.798 4.994 -3.620 621 HB VAL 79 HB VAL 79 -12.888 7.901 -4.482 622 1HG1 VAL 79 HG12 VAL 79 -11.516 7.289 -2.454 623 2HG1 VAL 79 HG11 VAL 79 -10.577 6.211 -3.486 624 3HG1 VAL 79 HG13 VAL 79 -10.574 7.949 -3.790 625 1HG2 VAL 79 HG23 VAL 79 -11.453 5.513 -5.690 626 2HG2 VAL 79 HG22 VAL 79 -12.737 6.454 -6.449 627 3HG2 VAL 79 HG21 VAL 79 -11.164 7.192 -6.147 628 H ALA 80 HN ALA 80 -15.382 7.392 -3.470 629 HA ALA 80 HA ALA 80 -14.888 8.229 -0.755 630 1HB ALA 80 HB3 ALA 80 -17.428 8.270 -2.414 631 2HB ALA 80 HB2 ALA 80 -17.233 9.084 -0.861 632 3HB ALA 80 HB1 ALA 80 -16.266 9.586 -2.248 633 H ALA 81 HN ALA 81 -16.690 5.577 -2.212 634 HA ALA 81 HA ALA 81 -18.138 4.796 0.150 635 1HB ALA 81 HB3 ALA 81 -17.391 3.448 -2.431 636 2HB ALA 81 HB2 ALA 81 -18.077 2.491 -1.118 637 3HB ALA 81 HB1 ALA 81 -18.993 3.835 -1.802 638 H VAL 82 HN VAL 82 -14.944 3.966 -1.135 639 HA VAL 82 HA VAL 82 -14.374 1.877 0.762 640 HB VAL 82 HB VAL 82 -12.402 3.691 -0.658 641 1HG1 VAL 82 HG12 VAL 82 -12.177 0.882 0.469 642 2HG1 VAL 82 HG11 VAL 82 -10.913 1.718 -0.434 643 3HG1 VAL 82 HG13 VAL 82 -11.425 2.330 1.138 644 1HG2 VAL 82 HG21 VAL 82 -14.014 1.321 -1.563 645 2HG2 VAL 82 HG23 VAL 82 -13.629 2.803 -2.437 646 3HG2 VAL 82 HG22 VAL 82 -12.393 1.563 -2.216 647 H PHE 83 HN PHE 83 -13.838 5.383 0.758 648 HA PHE 83 HA PHE 83 -12.334 5.409 3.235 649 1HB PHE 83 HB2 PHE 83 -13.722 7.508 1.577 650 2HB PHE 83 HB1 PHE 83 -13.063 7.907 3.163 651 HD1 PHE 83 HD1 PHE 83 -10.601 6.728 3.524 652 HD2 PHE 83 HD2 PHE 83 -12.315 7.980 -0.210 653 HE1 PHE 83 HE1 PHE 83 -8.331 6.901 2.540 654 HE2 PHE 83 HE2 PHE 83 -10.044 8.153 -1.194 655 HZ PHE 83 HZ PHE 83 -8.053 7.612 0.182 656 H ALA 84 HN ALA 84 -15.746 5.617 2.385 657 HA ALA 84 HA ALA 84 -16.707 6.522 4.936 658 1HB ALA 84 HB3 ALA 84 -18.064 6.545 2.844 659 2HB ALA 84 HB2 ALA 84 -18.129 4.783 2.896 660 3HB ALA 84 HB1 ALA 84 -18.892 5.732 4.172 661 H TYR 85 HN TYR 85 -16.127 3.288 3.579 662 HA TYR 85 HA TYR 85 -17.189 1.838 5.832 663 1HB TYR 85 HB2 TYR 85 -16.731 0.915 3.501 664 2HB TYR 85 HB1 TYR 85 -15.025 0.878 3.947 665 HD1 TYR 85 HD2 TYR 85 -14.203 -0.643 5.685 666 HD2 TYR 85 HD1 TYR 85 -18.345 -0.583 4.551 667 HE1 TYR 85 HE2 TYR 85 -14.557 -2.796 6.864 668 HE2 TYR 85 HE1 TYR 85 -18.700 -2.736 5.730 669 HH TYR 85 HH TYR 85 -16.789 -3.937 7.973 670 H ALA 86 HN ALA 86 -13.984 3.102 5.023 671 HA ALA 86 HA ALA 86 -12.578 1.818 7.181 672 1HB ALA 86 HB3 ALA 86 -11.983 4.351 5.625 673 2HB ALA 86 HB2 ALA 86 -10.866 3.615 6.774 674 3HB ALA 86 HB1 ALA 86 -11.332 2.741 5.315 675 H LYS 87 HN LYS 87 -14.485 4.756 6.935 676 HA LYS 87 HA LYS 87 -13.620 5.967 9.396 677 1HB LYS 87 HB2 LYS 87 -16.084 6.242 7.677 678 2HB LYS 87 HB1 LYS 87 -15.947 7.100 9.212 679 1HG LYS 87 HG2 LYS 87 -13.992 8.277 8.486 680 2HG LYS 87 HG1 LYS 87 -13.821 7.246 7.065 681 1HD LYS 87 HD2 LYS 87 -15.800 8.159 6.057 682 2HD LYS 87 HD1 LYS 87 -16.240 9.000 7.543 683 1HE LYS 87 HE2 LYS 87 -13.742 9.557 5.917 684 2HE LYS 87 HE1 LYS 87 -15.212 10.530 5.872 685 1HZ LYS 87 HZ2 LYS 87 -13.676 9.982 8.350 686 2HZ LYS 87 HZ1 LYS 87 -13.461 11.373 7.399 687 3HZ LYS 87 HZ3 LYS 87 -14.953 11.085 8.151 688 H GLN 88 HN GLN 88 -16.302 3.765 8.595 689 HA GLN 88 HA GLN 88 -17.331 3.689 11.307 690 1HB GLN 88 HB2 GLN 88 -17.750 1.878 8.914 691 2HB GLN 88 HB1 GLN 88 -18.601 1.683 10.447 692 1HG GLN 88 HG2 GLN 88 -19.681 3.794 10.237 693 2HG GLN 88 HG1 GLN 88 -18.603 4.299 8.935 694 1HE2 GLN 88 HE22 GLN 88 -21.996 2.452 7.960 695 2HE2 GLN 88 HE21 GLN 88 -21.699 3.157 9.474 696 H HIS 89 HN HIS 89 -14.430 2.676 10.250 697 HA HIS 89 HA HIS 89 -14.279 0.565 12.331 698 1HB HIS 89 HB2 HIS 89 -13.690 0.221 9.405 699 2HB HIS 89 HB1 HIS 89 -12.740 -0.679 10.589 700 HD1 HIS 89 HD1 HIS 89 -13.751 -2.824 11.359 701 HD2 HIS 89 HD2 HIS 89 -16.643 -0.214 9.876 702 HE1 HIS 89 HE1 HIS 89 -15.948 -4.083 11.414 703 HA PRO 90 HA PRO 90 -10.677 3.434 12.594 704 1HB PRO 90 HB2 PRO 90 -10.867 3.593 15.384 705 2HB PRO 90 HB1 PRO 90 -11.509 4.771 14.231 706 1HG PRO 90 HG2 PRO 90 -12.965 3.006 15.950 707 2HG PRO 90 HG1 PRO 90 -13.602 4.200 14.811 708 1HD PRO 90 HD2 PRO 90 -13.428 1.295 14.527 709 2HD PRO 90 HD1 PRO 90 -14.351 2.461 13.565 710 H ASP 91 HN ASP 91 -11.528 0.455 14.191 711 HA ASP 91 HA ASP 91 -8.953 -0.027 15.432 712 1HB ASP 91 HB2 ASP 91 -11.228 -1.136 15.974 713 2HB ASP 91 HB1 ASP 91 -10.894 -2.180 14.592 714 H GLN 92 HN GLN 92 -10.268 -0.467 12.237 715 HA GLN 92 HA GLN 92 -7.933 -2.135 11.440 716 1HB GLN 92 HB2 GLN 92 -10.487 -1.412 9.971 717 2HB GLN 92 HB1 GLN 92 -9.193 -2.399 9.292 718 1HG GLN 92 HG2 GLN 92 -9.468 -3.884 11.379 719 2HG GLN 92 HG1 GLN 92 -10.992 -3.033 11.632 720 1HE2 GLN 92 HE22 GLN 92 -10.651 -5.326 8.222 721 2HE2 GLN 92 HE21 GLN 92 -9.267 -4.562 8.840 722 H GLU 93 HN GLU 93 -7.244 -1.488 9.028 723 HA GLU 93 HA GLU 93 -7.040 1.479 8.823 724 1HB GLU 93 HB2 GLU 93 -4.783 -0.524 8.897 725 2HB GLU 93 HB1 GLU 93 -4.593 1.036 8.096 726 1HG GLU 93 HG2 GLU 93 -5.619 0.821 10.928 727 2HG GLU 93 HG1 GLU 93 -3.894 0.914 10.569 728 H LEU 94 HN LEU 94 -5.993 2.023 6.589 729 HA LEU 94 HA LEU 94 -7.309 0.275 4.562 730 1HB LEU 94 HB2 LEU 94 -7.860 2.787 4.788 731 2HB LEU 94 HB1 LEU 94 -6.266 3.069 4.088 732 HG LEU 94 HG LEU 94 -6.996 1.440 2.225 733 1HD1 LEU 94 HD11 LEU 94 -9.587 1.965 3.676 734 2HD1 LEU 94 HD13 LEU 94 -9.574 1.611 1.949 735 3HD1 LEU 94 HD12 LEU 94 -8.941 0.430 3.095 736 1HD2 LEU 94 HD21 LEU 94 -8.172 4.193 2.650 737 2HD2 LEU 94 HD23 LEU 94 -6.774 3.744 1.674 738 3HD2 LEU 94 HD22 LEU 94 -8.398 3.311 1.141 739 H VAL 95 HN VAL 95 -6.056 -0.840 3.139 740 HA VAL 95 HA VAL 95 -3.233 0.031 2.730 741 HB VAL 95 HB VAL 95 -4.078 -2.842 3.214 742 1HG1 VAL 95 HG11 VAL 95 -1.429 -1.458 2.747 743 2HG1 VAL 95 HG13 VAL 95 -1.542 -3.071 3.453 744 3HG1 VAL 95 HG12 VAL 95 -2.140 -2.779 1.819 745 1HG2 VAL 95 HG22 VAL 95 -4.235 -1.390 5.254 746 2HG2 VAL 95 HG21 VAL 95 -2.993 -2.634 5.386 747 3HG2 VAL 95 HG23 VAL 95 -2.537 -0.967 5.036 748 H ILE 96 HN ILE 96 -2.720 0.057 0.592 749 HA ILE 96 HA ILE 96 -4.651 -1.157 -1.317 750 HB ILE 96 HB ILE 96 -2.353 0.733 -1.891 751 1HG1 ILE 96 HG12 ILE 96 -3.970 1.777 -0.341 752 2HG1 ILE 96 HG11 ILE 96 -4.064 2.516 -1.937 753 1HG2 ILE 96 HG22 ILE 96 -3.309 -0.671 -3.769 754 2HG2 ILE 96 HG21 ILE 96 -4.847 0.151 -3.507 755 3HG2 ILE 96 HG23 ILE 96 -3.430 1.072 -4.013 756 1HD1 ILE 96 HD12 ILE 96 -6.021 1.102 -2.476 757 2HD1 ILE 96 HD11 ILE 96 -5.929 0.369 -0.875 758 3HD1 ILE 96 HD13 ILE 96 -6.321 2.081 -1.041 759 H ALA 97 HN ALA 97 -4.124 -3.039 -2.299 760 HA ALA 97 HA ALA 97 -1.257 -3.884 -2.278 761 1HB ALA 97 HB1 ALA 97 -3.318 -5.243 -1.214 762 2HB ALA 97 HB3 ALA 97 -3.429 -5.838 -2.871 763 3HB ALA 97 HB2 ALA 97 -1.939 -6.058 -1.953 764 H GLY 98 HN GLY 98 -4.008 -3.187 -4.292 765 1HA GLY 98 HA2 GLY 98 -2.693 -2.735 -6.668 766 2HA GLY 98 HA1 GLY 98 -2.939 -4.483 -6.682 767 H GLY 99 HN GLY 99 -5.960 -3.236 -8.355 768 1HA GLY 99 HA2 GLY 99 -3.260 -4.317 -8.723 769 2HA GLY 99 HA1 GLY 99 -4.416 -3.946 -10.003 770 H ALA 100 HN ALA 100 -2.701 -2.869 -11.184 771 HA ALA 100 HA ALA 100 -1.208 -0.660 -10.105 772 1HB ALA 100 HB1 ALA 100 -1.893 -1.472 -12.941 773 2HB ALA 100 HB3 ALA 100 -0.852 -0.099 -12.561 774 3HB ALA 100 HB2 ALA 100 -0.372 -1.728 -12.086 775 H GLN 101 HN GLN 101 -4.341 -0.922 -11.709 776 HA GLN 101 HA GLN 101 -4.702 1.937 -12.057 777 1HB GLN 101 HB2 GLN 101 -6.666 -0.374 -12.042 778 2HB GLN 101 HB1 GLN 101 -7.106 1.289 -12.435 779 1HG GLN 101 HG2 GLN 101 -5.564 1.308 -14.314 780 2HG GLN 101 HG1 GLN 101 -4.961 -0.292 -13.881 781 1HE2 GLN 101 HE22 GLN 101 -7.697 -2.016 -15.338 782 2HE2 GLN 101 HE21 GLN 101 -6.309 -2.144 -14.369 783 H ILE 102 HN ILE 102 -5.285 -0.349 -9.472 784 HA ILE 102 HA ILE 102 -7.086 1.341 -7.953 785 HB ILE 102 HB ILE 102 -5.293 -0.885 -6.946 786 1HG1 ILE 102 HG12 ILE 102 -6.685 -1.654 -8.837 787 2HG1 ILE 102 HG11 ILE 102 -7.238 -2.364 -7.322 788 1HG2 ILE 102 HG22 ILE 102 -7.832 0.383 -5.883 789 2HG2 ILE 102 HG21 ILE 102 -7.117 -1.091 -5.230 790 3HG2 ILE 102 HG23 ILE 102 -6.232 0.433 -5.143 791 1HD1 ILE 102 HD13 ILE 102 -9.004 -0.629 -7.165 792 2HD1 ILE 102 HD12 ILE 102 -8.464 0.046 -8.702 793 3HD1 ILE 102 HD11 ILE 102 -9.156 -1.575 -8.646 794 H PHE 103 HN PHE 103 -3.580 0.880 -8.057 795 HA PHE 103 HA PHE 103 -2.939 2.386 -5.708 796 1HB PHE 103 HB2 PHE 103 -1.403 1.764 -8.237 797 2HB PHE 103 HB1 PHE 103 -0.703 2.717 -6.930 798 HD1 PHE 103 HD1 PHE 103 -1.480 1.548 -4.483 799 HD2 PHE 103 HD2 PHE 103 -0.655 -0.439 -8.201 800 HE1 PHE 103 HE1 PHE 103 -0.940 -0.535 -3.250 801 HE2 PHE 103 HE2 PHE 103 -0.116 -2.522 -6.968 802 HZ PHE 103 HZ PHE 103 -0.257 -2.570 -4.493 803 H THR 104 HN THR 104 -3.004 3.367 -9.151 804 HA THR 104 HA THR 104 -2.444 6.130 -8.681 805 HB THR 104 HB THR 104 -4.190 5.164 -10.943 806 HG1 THR 104 HG1 THR 104 -2.290 3.783 -10.492 807 1HG2 THR 104 HG21 THR 104 -3.407 7.620 -10.469 808 2HG2 THR 104 HG23 THR 104 -1.859 7.052 -11.098 809 3HG2 THR 104 HG22 THR 104 -3.303 6.981 -12.109 810 H ALA 105 HN ALA 105 -5.335 4.249 -8.278 811 HA ALA 105 HA ALA 105 -7.232 6.425 -8.423 812 1HB ALA 105 HB3 ALA 105 -7.842 4.000 -8.613 813 2HB ALA 105 HB2 ALA 105 -7.479 3.816 -6.897 814 3HB ALA 105 HB1 ALA 105 -8.801 4.864 -7.412 815 H PHE 106 HN PHE 106 -5.684 4.740 -5.669 816 HA PHE 106 HA PHE 106 -6.664 6.857 -3.842 817 1HB PHE 106 HB2 PHE 106 -5.245 4.221 -3.410 818 2HB PHE 106 HB1 PHE 106 -5.506 5.376 -2.103 819 HD1 PHE 106 HD1 PHE 106 -7.823 6.012 -1.433 820 HD2 PHE 106 HD2 PHE 106 -7.052 2.913 -4.305 821 HE1 PHE 106 HE1 PHE 106 -10.143 5.180 -1.158 822 HE2 PHE 106 HE2 PHE 106 -9.371 2.080 -4.030 823 HZ PHE 106 HZ PHE 106 -10.917 3.214 -2.457 824 H LYS 107 HN LYS 107 -4.312 6.937 -5.953 825 HA LYS 107 HA LYS 107 -1.912 7.394 -4.434 826 1HB LYS 107 HB2 LYS 107 -2.020 6.962 -6.917 827 2HB LYS 107 HB1 LYS 107 -2.640 8.602 -7.116 828 1HG LYS 107 HG2 LYS 107 -0.603 9.486 -6.002 829 2HG LYS 107 HG1 LYS 107 0.024 7.842 -5.881 830 1HD LYS 107 HD2 LYS 107 1.023 8.482 -7.864 831 2HD LYS 107 HD1 LYS 107 -0.494 7.841 -8.497 832 1HE LYS 107 HE2 LYS 107 -1.418 10.225 -8.238 833 2HE LYS 107 HE1 LYS 107 0.260 10.729 -8.031 834 1HZ LYS 107 HZ2 LYS 107 -0.798 9.210 -10.354 835 2HZ LYS 107 HZ1 LYS 107 -0.471 10.878 -10.343 836 3HZ LYS 107 HZ3 LYS 107 0.797 9.766 -10.161 837 H ASP 108 HN ASP 108 -4.726 9.329 -5.077 838 HA ASP 108 HA ASP 108 -3.460 11.892 -4.495 839 1HB ASP 108 HB2 ASP 108 -5.642 11.414 -5.846 840 2HB ASP 108 HB1 ASP 108 -6.416 11.373 -4.261 841 H ASP 109 HN ASP 109 -3.593 9.445 -2.516 842 HA ASP 109 HA ASP 109 -3.817 11.109 -0.120 843 1HB ASP 109 HB2 ASP 109 -5.904 9.072 -0.843 844 2HB ASP 109 HB1 ASP 109 -5.487 9.321 0.853 845 H VAL 110 HN VAL 110 -1.720 9.584 -1.348 846 HA VAL 110 HA VAL 110 -1.447 7.140 0.290 847 HB VAL 110 HB VAL 110 -0.742 7.087 -2.077 848 1HG1 VAL 110 HG12 VAL 110 1.177 9.253 -1.181 849 2HG1 VAL 110 HG11 VAL 110 1.342 8.367 -2.697 850 3HG1 VAL 110 HG13 VAL 110 -0.075 9.380 -2.417 851 1HG2 VAL 110 HG22 VAL 110 0.495 5.855 -0.113 852 2HG2 VAL 110 HG21 VAL 110 1.221 5.867 -1.721 853 3HG2 VAL 110 HG23 VAL 110 1.806 6.977 -0.482 854 H ASP 111 HN ASP 111 0.368 6.848 1.742 855 HA ASP 111 HA ASP 111 1.746 9.346 2.601 856 1HB ASP 111 HB2 ASP 111 -0.375 8.683 4.001 857 2HB ASP 111 HB1 ASP 111 0.680 7.435 4.666 858 H THR 112 HN THR 112 1.497 5.880 3.487 859 HA THR 112 HA THR 112 4.458 5.794 3.731 860 HB THR 112 HB THR 112 2.536 3.547 4.357 861 HG1 THR 112 HG1 THR 112 2.348 4.395 6.393 862 1HG2 THR 112 HG22 THR 112 5.297 4.318 5.338 863 2HG2 THR 112 HG21 THR 112 4.350 2.976 5.977 864 3HG2 THR 112 HG23 THR 112 4.894 2.950 4.300 865 H LEU 113 HN LEU 113 5.470 5.332 1.837 866 HA LEU 113 HA LEU 113 4.122 3.581 -0.146 867 1HB LEU 113 HB2 LEU 113 6.529 5.405 -0.265 868 2HB LEU 113 HB1 LEU 113 6.155 4.270 -1.561 869 HG LEU 113 HG LEU 113 4.030 6.132 -0.531 870 1HD1 LEU 113 HD12 LEU 113 6.274 6.759 -2.456 871 2HD1 LEU 113 HD11 LEU 113 4.743 7.634 -2.485 872 3HD1 LEU 113 HD13 LEU 113 5.762 7.684 -1.046 873 1HD2 LEU 113 HD23 LEU 113 3.503 4.230 -2.081 874 2HD2 LEU 113 HD22 LEU 113 3.129 5.809 -2.772 875 3HD2 LEU 113 HD21 LEU 113 4.588 4.951 -3.270 876 H LEU 114 HN LEU 114 4.416 1.498 0.677 877 HA LEU 114 HA LEU 114 7.147 0.635 1.442 878 1HB LEU 114 HB2 LEU 114 4.474 -0.800 1.505 879 2HB LEU 114 HB1 LEU 114 5.998 -1.505 2.047 880 HG LEU 114 HG LEU 114 5.072 1.141 3.145 881 1HD1 LEU 114 HD12 LEU 114 3.207 -0.446 3.463 882 2HD1 LEU 114 HD11 LEU 114 4.320 -1.611 4.181 883 3HD1 LEU 114 HD13 LEU 114 3.993 -0.082 4.999 884 1HD2 LEU 114 HD21 LEU 114 6.980 -1.056 3.919 885 2HD2 LEU 114 HD23 LEU 114 7.276 0.678 3.805 886 3HD2 LEU 114 HD22 LEU 114 6.340 0.030 5.151 887 H VAL 115 HN VAL 115 8.448 -0.073 -0.172 888 HA VAL 115 HA VAL 115 7.188 -1.589 -2.422 889 HB VAL 115 HB VAL 115 7.920 0.651 -3.164 890 1HG1 VAL 115 HG12 VAL 115 9.747 0.780 -1.372 891 2HG1 VAL 115 HG11 VAL 115 10.739 -0.186 -2.465 892 3HG1 VAL 115 HG13 VAL 115 10.167 1.406 -2.967 893 1HG2 VAL 115 HG23 VAL 115 8.243 -1.549 -4.541 894 2HG2 VAL 115 HG22 VAL 115 9.023 -0.072 -5.106 895 3HG2 VAL 115 HG21 VAL 115 9.960 -1.287 -4.237 896 H THR 116 HN THR 116 8.244 -3.473 -3.041 897 HA THR 116 HA THR 116 10.558 -4.286 -1.330 898 HB THR 116 HB THR 116 8.639 -6.069 -2.858 899 HG1 THR 116 HG1 THR 116 8.044 -6.462 -0.512 900 1HG2 THR 116 HG21 THR 116 11.071 -6.769 -2.106 901 2HG2 THR 116 HG23 THR 116 10.318 -6.893 -0.517 902 3HG2 THR 116 HG22 THR 116 9.715 -7.867 -1.857 903 H ARG 117 HN ARG 117 12.326 -3.677 -2.563 904 HA ARG 117 HA ARG 117 12.367 -4.137 -5.464 905 1HB ARG 117 HB2 ARG 117 14.468 -3.130 -3.522 906 2HB ARG 117 HB1 ARG 117 14.714 -3.253 -5.265 907 1HG ARG 117 HG2 ARG 117 12.482 -1.869 -5.394 908 2HG ARG 117 HG1 ARG 117 12.893 -1.417 -3.738 909 1HD ARG 117 HD2 ARG 117 15.112 -0.641 -4.503 910 2HD ARG 117 HD1 ARG 117 14.689 -1.077 -6.159 911 HE ARG 117 HE ARG 117 12.657 0.652 -5.270 912 1HH1 ARG 117 HH21 ARG 117 16.097 0.730 -5.749 913 2HH1 ARG 117 HH22 ARG 117 16.130 2.426 -6.096 914 1HH2 ARG 117 HH11 ARG 117 12.712 2.852 -5.722 915 2HH2 ARG 117 HH12 ARG 117 14.222 3.621 -6.080 916 H LEU 118 HN LEU 118 13.285 -5.878 -6.467 917 HA LEU 118 HA LEU 118 14.617 -7.909 -4.725 918 1HB LEU 118 HB2 LEU 118 12.684 -8.078 -6.954 919 2HB LEU 118 HB1 LEU 118 14.010 -9.237 -7.050 920 HG LEU 118 HG LEU 118 13.508 -9.765 -4.586 921 1HD1 LEU 118 HD13 LEU 118 12.104 -7.769 -4.173 922 2HD1 LEU 118 HD12 LEU 118 10.929 -8.360 -5.347 923 3HD1 LEU 118 HD11 LEU 118 11.210 -9.256 -3.854 924 1HD2 LEU 118 HD21 LEU 118 12.899 -11.197 -6.571 925 2HD2 LEU 118 HD23 LEU 118 11.803 -11.375 -5.200 926 3HD2 LEU 118 HD22 LEU 118 11.324 -10.403 -6.592 927 H ALA 119 HN ALA 119 16.689 -8.532 -5.228 928 HA ALA 119 HA ALA 119 18.227 -6.929 -7.078 929 1HB ALA 119 HB3 ALA 119 18.827 -9.392 -5.437 930 2HB ALA 119 HB2 ALA 119 20.015 -8.718 -6.552 931 3HB ALA 119 HB1 ALA 119 19.423 -7.750 -5.203 932 H GLY 120 HN GLY 120 16.842 -10.187 -7.182 933 1HA GLY 120 HA2 GLY 120 18.100 -10.961 -9.663 934 2HA GLY 120 HA1 GLY 120 16.686 -11.735 -8.945 935 H SER 121 HN SER 121 17.613 -10.240 -11.673 936 HA SER 121 HA SER 121 15.370 -8.424 -12.097 937 1HB SER 121 HB2 SER 121 16.200 -8.560 -14.519 938 2HB SER 121 HB1 SER 121 17.343 -7.928 -13.337 939 HG SER 121 HG SER 121 18.591 -9.489 -13.965 940 H PHE 122 HN PHE 122 13.541 -8.826 -13.419 941 HA PHE 122 HA PHE 122 13.134 -11.566 -14.462 942 1HB PHE 122 HB2 PHE 122 11.344 -10.280 -12.378 943 2HB PHE 122 HB1 PHE 122 10.924 -11.728 -13.293 944 HD1 PHE 122 HD2 PHE 122 12.420 -13.772 -13.119 945 HD2 PHE 122 HD1 PHE 122 12.772 -10.399 -10.482 946 HE1 PHE 122 HE2 PHE 122 13.693 -15.163 -11.509 947 HE2 PHE 122 HE1 PHE 122 14.047 -11.790 -8.873 948 HZ PHE 122 HZ PHE 122 14.507 -14.173 -9.386 949 H GLU 123 HN GLU 123 12.120 -11.420 -16.403 950 HA GLU 123 HA GLU 123 11.055 -8.814 -17.266 951 1HB GLU 123 HB2 GLU 123 12.501 -10.463 -18.669 952 2HB GLU 123 HB1 GLU 123 10.991 -11.343 -18.904 953 1HG GLU 123 HG2 GLU 123 11.097 -9.853 -20.746 954 2HG GLU 123 HG1 GLU 123 9.989 -9.076 -19.614 955 H GLY 124 HN GLY 124 8.884 -8.482 -17.933 956 1HA GLY 124 HA2 GLY 124 6.922 -10.653 -17.605 957 2HA GLY 124 HA1 GLY 124 6.775 -9.327 -16.451 958 H ASP 125 HN ASP 125 4.939 -8.293 -17.166 959 HA ASP 125 HA ASP 125 5.101 -6.995 -19.828 960 1HB ASP 125 HB2 ASP 125 2.897 -8.841 -18.906 961 2HB ASP 125 HB1 ASP 125 2.603 -7.592 -20.117 962 H THR 126 HN THR 126 3.613 -7.257 -16.643 963 HA THR 126 HA THR 126 2.319 -4.610 -16.942 964 HB THR 126 HB THR 126 2.388 -6.225 -14.400 965 HG1 THR 126 HG1 THR 126 0.607 -7.362 -15.194 966 1HG2 THR 126 HG22 THR 126 1.364 -3.839 -14.764 967 2HG2 THR 126 HG21 THR 126 0.063 -4.720 -15.563 968 3HG2 THR 126 HG23 THR 126 0.441 -5.047 -13.871 969 H LYS 127 HN LYS 127 3.366 -2.785 -16.343 970 HA LYS 127 HA LYS 127 5.779 -3.049 -14.604 971 1HB LYS 127 HB2 LYS 127 4.958 -0.818 -16.490 972 2HB LYS 127 HB1 LYS 127 6.445 -0.858 -15.543 973 1HG LYS 127 HG2 LYS 127 7.231 -2.809 -16.723 974 2HG LYS 127 HG1 LYS 127 5.679 -3.006 -17.536 975 1HD LYS 127 HD2 LYS 127 7.136 -1.957 -19.122 976 2HD LYS 127 HD1 LYS 127 6.047 -0.696 -18.540 977 1HE LYS 127 HE2 LYS 127 7.710 0.242 -17.129 978 2HE LYS 127 HE1 LYS 127 8.737 -1.186 -17.256 979 1HZ LYS 127 HZ3 LYS 127 8.997 -0.693 -19.636 980 2HZ LYS 127 HZ2 LYS 127 8.103 0.737 -19.428 981 3HZ LYS 127 HZ1 LYS 127 9.601 0.546 -18.648 982 H MET 128 HN MET 128 6.138 -1.056 -13.168 983 HA MET 128 HA MET 128 3.625 -0.531 -11.701 984 1HB MET 128 HB2 MET 128 6.083 -1.126 -10.780 985 2HB MET 128 HB1 MET 128 6.213 0.634 -10.795 986 1HG MET 128 HG2 MET 128 3.768 -0.651 -9.618 987 2HG MET 128 HG1 MET 128 5.251 -0.577 -8.668 988 1HE MET 128 HE2 MET 128 2.131 0.750 -8.879 989 2HE MET 128 HE1 MET 128 2.941 0.821 -7.316 990 3HE MET 128 HE3 MET 128 2.306 2.297 -8.055 991 H ILE 129 HN ILE 129 2.840 1.583 -11.307 992 HA ILE 129 HA ILE 129 3.230 3.491 -13.428 993 HB ILE 129 HB ILE 129 1.826 4.987 -11.984 994 1HG1 ILE 129 HG12 ILE 129 1.681 2.649 -10.075 995 2HG1 ILE 129 HG11 ILE 129 2.849 3.951 -9.844 996 1HG2 ILE 129 HG21 ILE 129 0.994 3.003 -13.480 997 2HG2 ILE 129 HG23 ILE 129 0.618 2.233 -11.939 998 3HG2 ILE 129 HG22 ILE 129 -0.137 3.769 -12.365 999 1HD1 ILE 129 HD12 ILE 129 -0.143 4.360 -10.122 1000 2HD1 ILE 129 HD11 ILE 129 0.722 4.327 -8.587 1001 3HD1 ILE 129 HD13 ILE 129 1.056 5.600 -9.759 1002 HA PRO 130 HA PRO 130 6.534 5.987 -11.803 1003 1HB PRO 130 HB2 PRO 130 5.661 8.497 -12.687 1004 2HB PRO 130 HB1 PRO 130 6.583 7.325 -13.638 1005 1HG PRO 130 HG2 PRO 130 3.870 8.160 -14.007 1006 2HG PRO 130 HG1 PRO 130 4.804 7.010 -14.972 1007 1HD PRO 130 HD2 PRO 130 2.752 6.480 -12.960 1008 2HD PRO 130 HD1 PRO 130 3.456 5.380 -14.156 1009 H LEU 131 HN LEU 131 6.494 6.141 -9.572 1010 HA LEU 131 HA LEU 131 4.446 7.846 -8.270 1011 1HB LEU 131 HB2 LEU 131 6.590 6.035 -7.115 1012 2HB LEU 131 HB1 LEU 131 5.408 6.930 -6.160 1013 HG LEU 131 HG LEU 131 4.637 4.968 -8.333 1014 1HD1 LEU 131 HD11 LEU 131 5.885 3.858 -6.474 1015 2HD1 LEU 131 HD13 LEU 131 4.719 4.527 -5.332 1016 3HD1 LEU 131 HD12 LEU 131 4.193 3.363 -6.549 1017 1HD2 LEU 131 HD21 LEU 131 3.140 6.371 -6.100 1018 2HD2 LEU 131 HD23 LEU 131 2.898 6.573 -7.835 1019 3HD2 LEU 131 HD22 LEU 131 2.458 5.053 -7.054 1020 H ASN 132 HN ASN 132 4.923 9.847 -7.458 1021 HA ASN 132 HA ASN 132 7.513 11.037 -8.080 1022 1HB ASN 132 HB2 ASN 132 5.167 12.171 -8.070 1023 2HB ASN 132 HB1 ASN 132 5.420 12.316 -6.330 1024 1HD2 ASN 132 HD22 ASN 132 7.340 15.219 -6.800 1025 2HD2 ASN 132 HD21 ASN 132 6.177 14.387 -5.884 1026 H TRP 133 HN TRP 133 8.920 9.714 -6.753 1027 HA TRP 133 HA TRP 133 8.607 9.476 -3.902 1028 1HB TRP 133 HB2 TRP 133 11.101 9.286 -5.617 1029 2HB TRP 133 HB1 TRP 133 10.986 8.771 -3.934 1030 HD1 TRP 133 HD1 TRP 133 9.980 7.789 -7.452 1031 HE1 TRP 133 HE1 TRP 133 8.988 5.409 -7.417 1032 HE3 TRP 133 HE3 TRP 133 9.660 7.039 -2.411 1033 HZ2 TRP 133 HZ2 TRP 133 8.167 3.448 -5.503 1034 HZ3 TRP 133 HZ3 TRP 133 8.770 4.909 -1.510 1035 HH2 TRP 133 HH2 TRP 133 8.024 3.114 -3.049 1036 H ASP 134 HN ASP 134 9.547 12.100 -5.883 1037 HA ASP 134 HA ASP 134 11.426 13.433 -4.193 1038 1HB ASP 134 HB2 ASP 134 10.710 13.999 -6.619 1039 2HB ASP 134 HB1 ASP 134 9.376 14.880 -5.871 1040 H ASP 135 HN ASP 135 7.949 13.101 -4.039 1041 HA ASP 135 HA ASP 135 7.749 15.176 -1.929 1042 1HB ASP 135 HB2 ASP 135 5.763 13.590 -3.540 1043 2HB ASP 135 HB1 ASP 135 5.260 14.367 -2.039 1044 H PHE 136 HN PHE 136 9.222 12.632 -1.513 1045 HA PHE 136 HA PHE 136 7.787 11.787 0.942 1046 1HB PHE 136 HB2 PHE 136 8.736 9.910 -1.240 1047 2HB PHE 136 HB1 PHE 136 8.308 9.379 0.386 1048 HD1 PHE 136 HD2 PHE 136 5.970 9.842 1.258 1049 HD2 PHE 136 HD1 PHE 136 7.060 10.361 -2.864 1050 HE1 PHE 136 HE2 PHE 136 3.574 9.808 0.619 1051 HE2 PHE 136 HE1 PHE 136 4.664 10.327 -3.502 1052 HZ PHE 136 HZ PHE 136 2.921 10.050 -1.760 1053 H THR 137 HN THR 137 9.322 10.279 2.247 1054 HA THR 137 HA THR 137 12.189 10.821 1.731 1055 HB THR 137 HB THR 137 11.021 11.437 4.446 1056 HG1 THR 137 HG1 THR 137 10.247 12.752 2.530 1057 1HG2 THR 137 HG21 THR 137 13.602 12.069 2.999 1058 2HG2 THR 137 HG23 THR 137 13.137 12.839 4.517 1059 3HG2 THR 137 HG22 THR 137 13.394 11.095 4.454 1060 H LYS 138 HN LYS 138 13.392 9.056 2.277 1061 HA LYS 138 HA LYS 138 12.076 6.686 3.322 1062 1HB LYS 138 HB2 LYS 138 14.020 6.759 1.652 1063 2HB LYS 138 HB1 LYS 138 15.060 7.089 3.039 1064 1HG LYS 138 HG2 LYS 138 13.961 5.004 4.107 1065 2HG LYS 138 HG1 LYS 138 13.417 4.624 2.473 1066 1HD LYS 138 HD2 LYS 138 16.310 5.218 3.131 1067 2HD LYS 138 HD1 LYS 138 15.643 3.585 3.160 1068 1HE LYS 138 HE2 LYS 138 14.769 4.188 0.761 1069 2HE LYS 138 HE1 LYS 138 16.021 5.430 0.817 1070 1HZ LYS 138 HZ1 LYS 138 16.595 2.606 1.479 1071 2HZ LYS 138 HZ3 LYS 138 16.664 3.177 -0.116 1072 3HZ LYS 138 HZ2 LYS 138 17.689 3.838 1.066 1073 H VAL 139 HN VAL 139 11.741 6.301 5.447 1074 HA VAL 139 HA VAL 139 13.342 7.796 7.454 1075 HB VAL 139 HB VAL 139 11.612 6.942 9.057 1076 1HG1 VAL 139 HG11 VAL 139 11.449 9.097 7.611 1077 2HG1 VAL 139 HG13 VAL 139 10.236 8.206 6.691 1078 3HG1 VAL 139 HG12 VAL 139 9.986 8.519 8.409 1079 1HG2 VAL 139 HG23 VAL 139 10.469 5.777 6.501 1080 2HG2 VAL 139 HG22 VAL 139 10.977 4.886 7.936 1081 3HG2 VAL 139 HG21 VAL 139 9.557 5.931 8.002 1082 H SER 140 HN SER 140 12.598 4.514 6.389 1083 HA SER 140 HA SER 140 15.038 3.501 7.612 1084 1HB SER 140 HB2 SER 140 13.930 1.870 9.102 1085 2HB SER 140 HB1 SER 140 13.560 3.523 9.585 1086 HG SER 140 HG SER 140 11.902 2.141 7.776 1087 H SER 141 HN SER 141 15.297 1.138 7.112 1088 HA SER 141 HA SER 141 13.446 0.041 5.090 1089 1HB SER 141 HB2 SER 141 15.312 -0.326 3.469 1090 2HB SER 141 HB1 SER 141 14.951 1.380 3.715 1091 HG SER 141 HG SER 141 16.659 1.190 5.421 1092 H ARG 142 HN ARG 142 13.369 -2.163 5.265 1093 HA ARG 142 HA ARG 142 15.298 -3.445 7.133 1094 1HB ARG 142 HB2 ARG 142 12.736 -3.618 7.396 1095 2HB ARG 142 HB1 ARG 142 12.796 -4.709 6.011 1096 1HG ARG 142 HG2 ARG 142 14.330 -6.192 7.191 1097 2HG ARG 142 HG1 ARG 142 14.414 -5.071 8.550 1098 1HD ARG 142 HD2 ARG 142 11.771 -6.194 7.630 1099 2HD ARG 142 HD1 ARG 142 12.798 -7.089 8.751 1100 HE ARG 142 HE ARG 142 12.228 -4.298 9.509 1101 1HH1 ARG 142 HH21 ARG 142 11.429 -7.667 9.798 1102 2HH1 ARG 142 HH22 ARG 142 10.595 -7.462 11.302 1103 1HH2 ARG 142 HH11 ARG 142 11.143 -4.045 11.460 1104 2HH2 ARG 142 HH12 ARG 142 10.434 -5.422 12.238 1105 H THR 143 HN THR 143 17.011 -4.380 6.136 1106 HA THR 143 HA THR 143 16.760 -5.337 3.349 1107 HB THR 143 HB THR 143 19.228 -5.516 5.080 1108 HG1 THR 143 HG1 THR 143 19.373 -3.438 5.033 1109 1HG2 THR 143 HG21 THR 143 19.178 -6.645 2.857 1110 2HG2 THR 143 HG23 THR 143 18.832 -5.087 2.106 1111 3HG2 THR 143 HG22 THR 143 20.368 -5.346 2.931 1112 H VAL 144 HN VAL 144 17.205 -7.527 2.756 1113 HA VAL 144 HA VAL 144 17.576 -9.535 4.873 1114 HB VAL 144 HB VAL 144 15.136 -9.157 4.908 1115 1HG1 VAL 144 HG12 VAL 144 15.023 -8.376 2.507 1116 2HG1 VAL 144 HG11 VAL 144 15.150 -10.065 2.018 1117 3HG1 VAL 144 HG13 VAL 144 13.763 -9.522 2.961 1118 1HG2 VAL 144 HG22 VAL 144 16.165 -11.475 5.177 1119 2HG2 VAL 144 HG21 VAL 144 14.467 -11.450 4.703 1120 3HG2 VAL 144 HG23 VAL 144 15.714 -11.775 3.498 1121 H GLU 145 HN GLU 145 18.843 -11.132 4.052 1122 HA GLU 145 HA GLU 145 19.089 -11.322 1.082 1123 1HB GLU 145 HB2 GLU 145 20.997 -12.022 3.328 1124 2HB GLU 145 HB1 GLU 145 21.276 -12.495 1.651 1125 1HG GLU 145 HG2 GLU 145 21.336 -10.199 0.931 1126 2HG GLU 145 HG1 GLU 145 20.786 -9.632 2.508 1127 H ASP 146 HN ASP 146 18.124 -13.067 0.187 1128 HA ASP 146 HA ASP 146 17.199 -15.289 1.854 1129 1HB ASP 146 HB2 ASP 146 16.070 -14.236 -0.268 1130 2HB ASP 146 HB1 ASP 146 17.150 -15.316 -1.152 1131 H THR 147 HN THR 147 17.564 -17.490 0.192 1132 HA THR 147 HA THR 147 20.306 -18.213 0.808 1133 HB THR 147 HB THR 147 19.672 -20.339 -0.450 1134 HG1 THR 147 HG1 THR 147 17.880 -18.850 -1.462 1135 1HG2 THR 147 HG23 THR 147 19.394 -19.980 2.026 1136 2HG2 THR 147 HG22 THR 147 17.734 -19.477 1.712 1137 3HG2 THR 147 HG21 THR 147 18.243 -21.123 1.335 1138 H ASN 148 HN ASN 148 18.524 -17.425 -2.162 1139 HA ASN 148 HA ASN 148 21.065 -17.638 -3.699 1140 1HB ASN 148 HB2 ASN 148 18.890 -18.762 -4.481 1141 2HB ASN 148 HB1 ASN 148 18.313 -17.135 -4.842 1142 1HD2 ASN 148 HD22 ASN 148 20.869 -18.934 -7.390 1143 2HD2 ASN 148 HD21 ASN 148 20.195 -19.746 -6.060 1144 HA PRO 149 HA PRO 149 21.795 -13.242 -3.605 1145 1HB PRO 149 HB2 PRO 149 22.551 -13.235 -6.410 1146 2HB PRO 149 HB1 PRO 149 23.575 -13.032 -4.984 1147 1HG PRO 149 HG2 PRO 149 23.302 -15.335 -6.668 1148 2HG PRO 149 HG1 PRO 149 24.380 -15.102 -5.286 1149 1HD PRO 149 HD2 PRO 149 22.166 -16.824 -5.389 1150 2HD PRO 149 HD1 PRO 149 23.055 -16.343 -3.936 1151 H ALA 150 HN ALA 150 20.248 -14.521 -6.567 1152 HA ALA 150 HA ALA 150 18.962 -12.090 -7.333 1153 1HB ALA 150 HB1 ALA 150 18.313 -14.997 -7.860 1154 2HB ALA 150 HB3 ALA 150 17.364 -13.679 -8.548 1155 3HB ALA 150 HB2 ALA 150 19.073 -13.840 -8.954 1156 H LEU 151 HN LEU 151 18.100 -14.578 -5.006 1157 HA LEU 151 HA LEU 151 15.366 -13.604 -4.649 1158 1HB LEU 151 HB2 LEU 151 17.104 -15.586 -3.168 1159 2HB LEU 151 HB1 LEU 151 15.503 -15.131 -2.583 1160 HG LEU 151 HG LEU 151 16.013 -16.153 -5.387 1161 1HD1 LEU 151 HD12 LEU 151 16.540 -17.775 -3.438 1162 2HD1 LEU 151 HD11 LEU 151 14.804 -17.749 -3.127 1163 3HD1 LEU 151 HD13 LEU 151 15.414 -18.329 -4.677 1164 1HD2 LEU 151 HD23 LEU 151 13.546 -15.663 -3.699 1165 2HD2 LEU 151 HD22 LEU 151 13.966 -14.905 -5.235 1166 3HD2 LEU 151 HD21 LEU 151 13.516 -16.610 -5.186 1167 H THR 152 HN THR 152 17.907 -11.880 -4.166 1168 HA THR 152 HA THR 152 17.554 -11.183 -1.311 1169 HB THR 152 HB THR 152 19.368 -9.909 -3.380 1170 HG1 THR 152 HG1 THR 152 20.841 -11.303 -1.888 1171 1HG2 THR 152 HG21 THR 152 19.089 -9.744 -0.387 1172 2HG2 THR 152 HG23 THR 152 20.636 -9.410 -1.164 1173 3HG2 THR 152 HG22 THR 152 19.223 -8.432 -1.559 1174 H HIS 153 HN HIS 153 16.490 -9.349 -0.625 1175 HA HIS 153 HA HIS 153 15.767 -7.240 -2.551 1176 1HB HIS 153 HB2 HIS 153 13.332 -7.418 -1.965 1177 2HB HIS 153 HB1 HIS 153 13.930 -8.791 -2.894 1178 HD1 HIS 153 HD1 HIS 153 14.754 -10.900 -1.296 1179 HD2 HIS 153 HD2 HIS 153 12.074 -8.178 0.375 1180 HE1 HIS 153 HE1 HIS 153 13.715 -12.054 0.705 1181 H THR 154 HN THR 154 14.537 -5.452 -1.360 1182 HA THR 154 HA THR 154 15.185 -5.414 1.552 1183 HB THR 154 HB THR 154 15.683 -3.060 -0.285 1184 HG1 THR 154 HG1 THR 154 17.863 -4.297 0.767 1185 1HG2 THR 154 HG23 THR 154 15.318 -2.976 2.337 1186 2HG2 THR 154 HG22 THR 154 16.989 -3.536 2.366 1187 3HG2 THR 154 HG21 THR 154 16.583 -2.012 1.577 1188 H TYR 155 HN TYR 155 13.572 -4.505 2.779 1189 HA TYR 155 HA TYR 155 11.124 -3.642 1.364 1190 1HB TYR 155 HB2 TYR 155 11.747 -4.247 4.265 1191 2HB TYR 155 HB1 TYR 155 10.189 -3.614 3.734 1192 HD1 TYR 155 HD1 TYR 155 8.713 -4.943 2.276 1193 HD2 TYR 155 HD2 TYR 155 12.433 -6.516 3.737 1194 HE1 TYR 155 HE1 TYR 155 7.998 -7.230 1.635 1195 HE2 TYR 155 HE2 TYR 155 11.719 -8.802 3.095 1196 HH TYR 155 HH TYR 155 8.894 -9.797 2.688 1197 H GLU 156 HN GLU 156 11.498 -1.540 0.651 1198 HA GLU 156 HA GLU 156 12.707 0.465 2.412 1199 1HB GLU 156 HB2 GLU 156 11.536 0.495 -0.363 1200 2HB GLU 156 HB1 GLU 156 11.905 2.005 0.469 1201 1HG GLU 156 HG2 GLU 156 14.230 1.353 0.736 1202 2HG GLU 156 HG1 GLU 156 13.896 -0.245 0.065 1203 H VAL 157 HN VAL 157 11.607 2.131 3.474 1204 HA VAL 157 HA VAL 157 8.623 2.080 3.334 1205 HB VAL 157 HB VAL 157 10.244 2.351 5.884 1206 1HG1 VAL 157 HG11 VAL 157 7.296 2.271 5.229 1207 2HG1 VAL 157 HG13 VAL 157 7.896 1.874 6.839 1208 3HG1 VAL 157 HG12 VAL 157 8.176 3.478 6.165 1209 1HG2 VAL 157 HG22 VAL 157 9.034 0.003 4.480 1210 2HG2 VAL 157 HG21 VAL 157 10.494 0.089 5.464 1211 3HG2 VAL 157 HG23 VAL 157 8.911 0.064 6.238 1212 H TRP 158 HN TRP 158 8.201 4.044 2.419 1213 HA TRP 158 HA TRP 158 9.752 6.412 3.367 1214 1HB TRP 158 HB2 TRP 158 8.016 6.035 0.906 1215 2HB TRP 158 HB1 TRP 158 8.846 7.531 1.333 1216 HD1 TRP 158 HD1 TRP 158 9.850 3.804 0.943 1217 HE1 TRP 158 HE1 TRP 158 12.133 3.717 -0.253 1218 HE3 TRP 158 HE3 TRP 158 10.744 8.801 0.385 1219 HZ2 TRP 158 HZ2 TRP 158 14.080 5.528 -1.307 1220 HZ3 TRP 158 HZ3 TRP 158 12.817 9.591 -0.717 1221 HH2 TRP 158 HH2 TRP 158 14.485 7.964 -1.563 1222 H GLN 159 HN GLN 159 8.367 8.475 3.465 1223 HA GLN 159 HA GLN 159 5.548 7.990 4.226 1224 1HB GLN 159 HB2 GLN 159 7.698 8.983 6.100 1225 2HB GLN 159 HB1 GLN 159 5.998 9.380 6.355 1226 1HG GLN 159 HG2 GLN 159 5.536 6.869 6.176 1227 2HG GLN 159 HG1 GLN 159 7.280 6.643 6.314 1228 1HE2 GLN 159 HE22 GLN 159 7.345 7.954 9.720 1229 2HE2 GLN 159 HE21 GLN 159 8.232 8.061 8.277 1230 H LYS 160 HN LYS 160 4.267 9.851 3.989 1231 HA LYS 160 HA LYS 160 5.268 11.900 2.229 1232 1HB LYS 160 HB2 LYS 160 2.862 11.123 2.396 1233 2HB LYS 160 HB1 LYS 160 2.750 12.018 3.912 1234 1HG LYS 160 HG2 LYS 160 3.244 14.105 2.799 1235 2HG LYS 160 HG1 LYS 160 3.605 13.268 1.289 1236 1HD LYS 160 HD2 LYS 160 1.198 12.370 1.405 1237 2HD LYS 160 HD1 LYS 160 0.925 13.599 2.640 1238 1HE LYS 160 HE2 LYS 160 1.363 15.374 1.137 1239 2HE LYS 160 HE1 LYS 160 2.135 14.303 -0.033 1240 1HZ LYS 160 HZ3 LYS 160 -0.411 13.309 0.358 1241 2HZ LYS 160 HZ2 LYS 160 -0.600 14.992 0.219 1242 3HZ LYS 160 HZ1 LYS 160 0.174 14.117 -1.015 1243 H LYS 161 HN LYS 161 6.259 13.795 2.738 1244 HA LYS 161 HA LYS 161 5.900 14.954 5.446 1245 1HB LYS 161 HB2 LYS 161 7.961 13.416 5.360 1246 2HB LYS 161 HB1 LYS 161 8.667 14.617 4.278 1247 1HG LYS 161 HG2 LYS 161 8.093 16.351 6.076 1248 2HG LYS 161 HG1 LYS 161 7.803 14.982 7.150 1249 1HD LYS 161 HD2 LYS 161 10.062 14.222 6.945 1250 2HD LYS 161 HD1 LYS 161 10.380 15.321 5.603 1251 1HE LYS 161 HE2 LYS 161 10.462 17.203 6.986 1252 2HE LYS 161 HE1 LYS 161 9.513 16.431 8.257 1253 1HZ LYS 161 HZ2 LYS 161 11.402 14.914 8.629 1254 2HZ LYS 161 HZ1 LYS 161 12.314 15.801 7.501 1255 3HZ LYS 161 HZ3 LYS 161 11.791 16.540 8.936 1256 H ALA 162 HN ALA 162 6.270 17.218 5.489 1257 HA ALA 162 HA ALA 162 6.154 18.506 2.835 1258 1HB ALA 162 HB1 ALA 162 5.822 19.543 5.661 1259 2HB ALA 162 HB3 ALA 162 5.787 20.590 4.242 1260 3HB ALA 162 HB2 ALA 162 4.567 19.332 4.439 1261 1H9 TMQ 170 H91 TMQ 170 -0.249 -10.572 -5.966 1262 2H9 TMQ 170 H92 TMQ 170 -1.029 -11.400 -4.609 1263 HN1 TMQ 170 H1N TMQ 170 1.077 -12.489 -6.325 1264 1H17 TMQ 170 HM1 TMQ 170 -1.325 -8.184 -3.387 1265 2H17 TMQ 170 HM2 TMQ 170 -1.206 -9.101 -4.887 1266 3H17 TMQ 170 HM3 TMQ 170 -0.390 -7.544 -4.746 1267 1H21 TMQ 170 HW11 TMQ 170 -1.576 -13.015 -1.286 1268 2H21 TMQ 170 HW12 TMQ 170 0.038 -13.693 -1.019 1269 3H21 TMQ 170 HW13 TMQ 170 -1.280 -14.077 0.099 1270 1H22 TMQ 170 HI1 TMQ 170 0.910 -17.909 -2.930 1271 2H22 TMQ 170 HI2 TMQ 170 0.168 -16.999 -1.606 1272 3H22 TMQ 170 HI3 TMQ 170 -0.274 -18.692 -1.873 1273 1H23 TMQ 170 HW21 TMQ 170 0.614 -16.618 -7.632 1274 2H23 TMQ 170 HW22 TMQ 170 1.094 -18.290 -7.300 1275 3H23 TMQ 170 HW23 TMQ 170 1.904 -16.954 -6.468 1276 1HN2 TMQ 170 HN21 TMQ 170 5.108 -7.491 0.199 1277 2HN2 TMQ 170 HN22 TMQ 170 4.215 -6.008 0.283 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.331 -6.494 -3.060 1279 2HN5 TMQ 170 HN42 TMQ 170 0.401 -5.350 -2.022 1280 HN TMQ 170 H1 TMQ 170 4.353 -9.198 -1.120 1281 H7 TMQ 170 H7 TMQ 170 2.189 -12.177 -4.000 1282 H8 TMQ 170 H8 TMQ 170 3.758 -11.127 -2.434 1283 H12 TMQ 170 HP2 TMQ 170 -0.569 -12.775 -3.112 1284 H16 TMQ 170 HP6 TMQ 170 0.632 -14.847 -6.708 No H/Q in entry = 1284 Start of MODEL 11 1 1H THR 1 HT2 THR 1 -2.666 6.307 5.015 2 2H THR 1 HT1 THR 1 -3.127 7.296 3.712 3 3H THR 1 HT3 THR 1 -4.312 6.571 4.685 4 HA THR 1 HA THR 1 -4.137 4.563 3.695 5 HB THR 1 HB THR 1 -2.798 6.108 1.479 6 HG1 THR 1 HG1 THR 1 -5.159 6.679 1.111 7 1HG2 THR 1 HG22 THR 1 -4.938 3.978 1.663 8 2HG2 THR 1 HG21 THR 1 -4.571 4.846 0.173 9 3HG2 THR 1 HG23 THR 1 -3.340 3.837 0.931 10 H ALA 2 HN ALA 2 -2.772 2.850 2.786 11 HA ALA 2 HA ALA 2 0.157 3.299 3.163 12 1HB ALA 2 HB1 ALA 2 -1.561 1.090 4.308 13 2HB ALA 2 HB3 ALA 2 0.184 0.914 4.119 14 3HB ALA 2 HB2 ALA 2 -0.467 2.175 5.167 15 H PHE 3 HN PHE 3 1.093 2.878 1.232 16 HA PHE 3 HA PHE 3 -0.234 1.065 -0.690 17 1HB PHE 3 HB2 PHE 3 2.034 3.036 -0.832 18 2HB PHE 3 HB1 PHE 3 1.855 1.810 -2.088 19 HD1 PHE 3 HD2 PHE 3 -0.531 3.950 -0.122 20 HD2 PHE 3 HD1 PHE 3 0.805 2.636 -3.987 21 HE1 PHE 3 HE2 PHE 3 -2.308 5.304 -1.198 22 HE2 PHE 3 HE1 PHE 3 -0.972 3.990 -5.063 23 HZ PHE 3 HZ PHE 3 -2.529 5.324 -3.668 24 H LEU 4 HN LEU 4 0.991 -0.690 -1.708 25 HA LEU 4 HA LEU 4 3.515 -1.598 -0.630 26 1HB LEU 4 HB2 LEU 4 1.981 -2.126 1.283 27 2HB LEU 4 HB1 LEU 4 1.056 -3.168 0.201 28 HG LEU 4 HG LEU 4 3.429 -4.233 -0.286 29 1HD1 LEU 4 HD11 LEU 4 3.773 -2.669 2.249 30 2HD1 LEU 4 HD13 LEU 4 4.570 -4.236 2.103 31 3HD1 LEU 4 HD12 LEU 4 4.927 -2.954 0.947 32 1HD2 LEU 4 HD23 LEU 4 1.405 -5.304 0.788 33 2HD2 LEU 4 HD22 LEU 4 2.948 -5.917 1.381 34 3HD2 LEU 4 HD21 LEU 4 2.025 -4.767 2.349 35 H TRP 5 HN TRP 5 4.291 -2.284 -2.577 36 HA TRP 5 HA TRP 5 2.744 -4.379 -4.010 37 1HB TRP 5 HB2 TRP 5 3.181 -3.294 -6.181 38 2HB TRP 5 HB1 TRP 5 2.225 -2.245 -5.139 39 HD1 TRP 5 HD1 TRP 5 5.281 -2.283 -7.186 40 HE1 TRP 5 HE1 TRP 5 6.709 -0.184 -6.747 41 HE3 TRP 5 HE3 TRP 5 2.998 -0.521 -2.967 42 HZ2 TRP 5 HZ2 TRP 5 6.867 1.956 -4.860 43 HZ3 TRP 5 HZ3 TRP 5 3.812 1.548 -1.871 44 HH2 TRP 5 HH2 TRP 5 5.741 2.788 -2.812 45 H ALA 6 HN ALA 6 4.052 -5.962 -4.911 46 HA ALA 6 HA ALA 6 6.925 -5.824 -4.215 47 1HB ALA 6 HB1 ALA 6 5.584 -7.867 -3.689 48 2HB ALA 6 HB3 ALA 6 5.330 -8.109 -5.418 49 3HB ALA 6 HB2 ALA 6 6.957 -8.209 -4.743 50 H GLN 7 HN GLN 7 8.189 -4.845 -5.725 51 HA GLN 7 HA GLN 7 7.763 -5.597 -8.586 52 1HB GLN 7 HB2 GLN 7 8.451 -3.276 -9.200 53 2HB GLN 7 HB1 GLN 7 6.939 -3.317 -8.293 54 1HG GLN 7 HG2 GLN 7 8.015 -1.681 -7.083 55 2HG GLN 7 HG1 GLN 7 8.643 -3.090 -6.229 56 1HE2 GLN 7 HE22 GLN 7 11.129 -1.180 -8.902 57 2HE2 GLN 7 HE21 GLN 7 9.450 -1.103 -9.140 58 H ASP 8 HN ASP 8 9.716 -5.632 -9.860 59 HA ASP 8 HA ASP 8 12.153 -6.054 -8.202 60 1HB ASP 8 HB2 ASP 8 13.025 -7.171 -10.301 61 2HB ASP 8 HB1 ASP 8 11.622 -7.960 -9.582 62 H ARG 9 HN ARG 9 14.251 -5.410 -9.412 63 HA ARG 9 HA ARG 9 14.274 -2.590 -9.812 64 1HB ARG 9 HB2 ARG 9 16.583 -2.973 -10.714 65 2HB ARG 9 HB1 ARG 9 16.299 -3.771 -9.167 66 1HG ARG 9 HG2 ARG 9 16.040 -5.901 -10.193 67 2HG ARG 9 HG1 ARG 9 15.879 -5.192 -11.800 68 1HD ARG 9 HD2 ARG 9 18.133 -6.189 -11.426 69 2HD ARG 9 HD1 ARG 9 18.207 -4.457 -11.750 70 HE ARG 9 HE ARG 9 18.080 -4.609 -8.984 71 1HH1 ARG 9 HH21 ARG 9 20.105 -5.983 -11.452 72 2HH1 ARG 9 HH22 ARG 9 21.500 -6.063 -10.429 73 1HH2 ARG 9 HH11 ARG 9 19.899 -4.718 -7.668 74 2HH2 ARG 9 HH12 ARG 9 21.382 -5.350 -8.297 75 H ASP 10 HN ASP 10 13.508 -5.176 -11.976 76 HA ASP 10 HA ASP 10 14.077 -3.714 -14.435 77 1HB ASP 10 HB2 ASP 10 12.624 -6.269 -13.768 78 2HB ASP 10 HB1 ASP 10 12.541 -5.584 -15.392 79 H GLY 11 HN GLY 11 12.074 -2.785 -12.183 80 1HA GLY 11 HA2 GLY 11 10.118 -1.491 -12.150 81 2HA GLY 11 HA1 GLY 11 10.343 -1.287 -13.887 82 H LEU 12 HN LEU 12 9.891 -4.357 -12.174 83 HA LEU 12 HA LEU 12 7.411 -4.772 -13.792 84 1HB LEU 12 HB2 LEU 12 9.577 -6.341 -13.820 85 2HB LEU 12 HB1 LEU 12 8.775 -7.042 -12.414 86 HG LEU 12 HG LEU 12 6.656 -7.103 -13.889 87 1HD1 LEU 12 HD12 LEU 12 7.619 -5.616 -15.653 88 2HD1 LEU 12 HD11 LEU 12 8.776 -6.887 -16.049 89 3HD1 LEU 12 HD13 LEU 12 7.051 -7.156 -16.295 90 1HD2 LEU 12 HD21 LEU 12 8.408 -8.997 -13.268 91 2HD2 LEU 12 HD23 LEU 12 7.148 -9.303 -14.463 92 3HD2 LEU 12 HD22 LEU 12 8.784 -8.908 -14.987 93 H ILE 13 HN ILE 13 5.769 -6.228 -12.653 94 HA ILE 13 HA ILE 13 5.781 -5.933 -9.700 95 HB ILE 13 HB ILE 13 3.429 -5.066 -9.777 96 1HG1 ILE 13 HG12 ILE 13 4.036 -4.565 -12.706 97 2HG1 ILE 13 HG11 ILE 13 3.027 -5.894 -12.136 98 1HG2 ILE 13 HG23 ILE 13 5.534 -3.386 -11.175 99 2HG2 ILE 13 HG22 ILE 13 4.069 -2.755 -10.422 100 3HG2 ILE 13 HG21 ILE 13 5.308 -3.525 -9.431 101 1HD1 ILE 13 HD11 ILE 13 2.419 -3.115 -11.192 102 2HD1 ILE 13 HD13 ILE 13 1.926 -3.589 -12.818 103 3HD1 ILE 13 HD12 ILE 13 1.328 -4.481 -11.419 104 H GLY 14 HN GLY 14 4.496 -7.392 -12.621 105 1HA GLY 14 HA2 GLY 14 3.944 -9.872 -11.167 106 2HA GLY 14 HA1 GLY 14 2.499 -9.083 -11.801 107 H LYS 15 HN LYS 15 2.567 -11.295 -12.999 108 HA LYS 15 HA LYS 15 3.273 -10.796 -15.745 109 1HB LYS 15 HB2 LYS 15 5.529 -11.357 -14.639 110 2HB LYS 15 HB1 LYS 15 4.900 -12.996 -14.463 111 1HG LYS 15 HG2 LYS 15 4.764 -11.625 -17.135 112 2HG LYS 15 HG1 LYS 15 6.271 -12.378 -16.611 113 1HD LYS 15 HD2 LYS 15 4.756 -14.436 -16.055 114 2HD LYS 15 HD1 LYS 15 3.606 -13.667 -17.151 115 1HE LYS 15 HE2 LYS 15 5.018 -15.245 -18.390 116 2HE LYS 15 HE1 LYS 15 5.358 -13.594 -18.908 117 1HZ LYS 15 HZ2 LYS 15 6.927 -15.118 -16.898 118 2HZ LYS 15 HZ1 LYS 15 7.385 -14.869 -18.516 119 3HZ LYS 15 HZ3 LYS 15 7.270 -13.550 -17.456 120 H ASP 16 HN ASP 16 1.534 -11.742 -16.677 121 HA ASP 16 HA ASP 16 -0.117 -13.323 -17.192 122 1HB ASP 16 HB2 ASP 16 2.216 -14.927 -16.276 123 2HB ASP 16 HB1 ASP 16 0.661 -15.759 -16.316 124 H GLY 17 HN GLY 17 -0.194 -11.894 -14.624 125 1HA GLY 17 HA2 GLY 17 -1.912 -11.942 -12.956 126 2HA GLY 17 HA1 GLY 17 -2.127 -13.666 -13.261 127 H HIS 18 HN HIS 18 0.085 -14.916 -12.763 128 HA HIS 18 HA HIS 18 0.589 -14.476 -9.919 129 1HB HIS 18 HB2 HIS 18 2.084 -16.476 -10.168 130 2HB HIS 18 HB1 HIS 18 0.439 -16.763 -10.734 131 HD1 HIS 18 HD1 HIS 18 3.849 -15.801 -12.137 132 HD2 HIS 18 HD2 HIS 18 0.299 -17.601 -13.375 133 HE1 HIS 18 HE1 HIS 18 4.247 -16.618 -14.501 134 H LEU 19 HN LEU 19 2.996 -14.592 -9.188 135 HA LEU 19 HA LEU 19 4.375 -12.326 -10.416 136 1HB LEU 19 HB2 LEU 19 4.889 -14.100 -8.035 137 2HB LEU 19 HB1 LEU 19 6.143 -13.005 -8.620 138 HG LEU 19 HG LEU 19 3.330 -12.064 -8.040 139 1HD1 LEU 19 HD11 LEU 19 4.464 -13.103 -6.016 140 2HD1 LEU 19 HD13 LEU 19 5.706 -11.860 -6.174 141 3HD1 LEU 19 HD12 LEU 19 4.036 -11.401 -5.841 142 1HD2 LEU 19 HD23 LEU 19 5.986 -10.822 -8.675 143 2HD2 LEU 19 HD22 LEU 19 4.385 -10.406 -9.286 144 3HD2 LEU 19 HD21 LEU 19 4.856 -9.930 -7.655 145 HA PRO 20 HA PRO 20 7.141 -14.690 -12.988 146 1HB PRO 20 HB2 PRO 20 9.229 -12.836 -13.074 147 2HB PRO 20 HB1 PRO 20 7.804 -12.835 -14.121 148 1HG PRO 20 HG2 PRO 20 8.506 -10.962 -12.062 149 2HG PRO 20 HG1 PRO 20 7.125 -10.920 -13.166 150 1HD PRO 20 HD2 PRO 20 7.193 -11.682 -10.355 151 2HD PRO 20 HD1 PRO 20 5.795 -11.380 -11.398 152 H TRP 21 HN TRP 21 8.325 -13.363 -9.949 153 HA TRP 21 HA TRP 21 10.539 -15.366 -9.943 154 1HB TRP 21 HB2 TRP 21 11.430 -14.007 -8.033 155 2HB TRP 21 HB1 TRP 21 11.305 -13.095 -9.537 156 HD1 TRP 21 HD1 TRP 21 9.521 -13.567 -6.170 157 HE1 TRP 21 HE1 TRP 21 8.089 -11.475 -5.702 158 HE3 TRP 21 HE3 TRP 21 10.140 -11.068 -10.580 159 HZ2 TRP 21 HZ2 TRP 21 7.309 -9.061 -7.024 160 HZ3 TRP 21 HZ3 TRP 21 9.043 -8.877 -10.950 161 HH2 TRP 21 HH2 TRP 21 7.629 -7.871 -9.178 162 H HIS 22 HN HIS 22 10.978 -15.942 -7.411 163 HA HIS 22 HA HIS 22 8.364 -16.661 -6.165 164 1HB HIS 22 HB2 HIS 22 9.453 -18.568 -7.521 165 2HB HIS 22 HB1 HIS 22 10.687 -18.591 -6.261 166 HD1 HIS 22 HD1 HIS 22 6.862 -18.414 -6.232 167 HD2 HIS 22 HD2 HIS 22 9.982 -20.455 -4.366 168 HE1 HIS 22 HE1 HIS 22 5.791 -19.990 -4.565 169 H LEU 23 HN LEU 23 8.603 -15.224 -4.447 170 HA LEU 23 HA LEU 23 11.019 -15.624 -2.725 171 1HB LEU 23 HB2 LEU 23 10.592 -13.318 -3.867 172 2HB LEU 23 HB1 LEU 23 9.317 -13.139 -2.661 173 HG LEU 23 HG LEU 23 11.004 -13.606 -0.875 174 1HD1 LEU 23 HD11 LEU 23 12.777 -13.765 -3.300 175 2HD1 LEU 23 HD13 LEU 23 13.443 -13.221 -1.761 176 3HD1 LEU 23 HD12 LEU 23 12.724 -14.826 -1.892 177 1HD2 LEU 23 HD21 LEU 23 10.465 -11.260 -2.117 178 2HD2 LEU 23 HD23 LEU 23 11.584 -11.387 -0.760 179 3HD2 LEU 23 HD22 LEU 23 12.200 -11.357 -2.412 180 HA PRO 24 HA PRO 24 7.342 -17.537 -0.536 181 1HB PRO 24 HB2 PRO 24 9.426 -18.648 1.172 182 2HB PRO 24 HB1 PRO 24 8.248 -19.490 0.158 183 1HG PRO 24 HG2 PRO 24 11.032 -19.063 -0.344 184 2HG PRO 24 HG1 PRO 24 9.858 -19.936 -1.338 185 1HD PRO 24 HD2 PRO 24 11.080 -17.491 -1.979 186 2HD PRO 24 HD1 PRO 24 9.686 -18.215 -2.796 187 H ASP 25 HN ASP 25 10.267 -16.000 0.793 188 HA ASP 25 HA ASP 25 9.227 -15.436 3.394 189 1HB ASP 25 HB2 ASP 25 11.656 -15.198 2.431 190 2HB ASP 25 HB1 ASP 25 11.130 -13.568 2.006 191 H ASP 26 HN ASP 26 9.202 -13.521 0.387 192 HA ASP 26 HA ASP 26 7.882 -11.231 1.514 193 1HB ASP 26 HB2 ASP 26 9.099 -11.218 -0.665 194 2HB ASP 26 HB1 ASP 26 7.822 -12.219 -1.355 195 H LEU 27 HN LEU 27 6.690 -14.195 -0.033 196 HA LEU 27 HA LEU 27 3.933 -13.443 -0.166 197 1HB LEU 27 HB2 LEU 27 5.182 -16.190 0.149 198 2HB LEU 27 HB1 LEU 27 3.505 -15.887 -0.308 199 HG LEU 27 HG LEU 27 5.909 -14.872 -1.853 200 1HD1 LEU 27 HD13 LEU 27 4.215 -17.344 -2.097 201 2HD1 LEU 27 HD12 LEU 27 4.914 -16.613 -3.541 202 3HD1 LEU 27 HD11 LEU 27 5.964 -17.180 -2.242 203 1HD2 LEU 27 HD21 LEU 27 2.955 -14.557 -2.057 204 2HD2 LEU 27 HD23 LEU 27 4.239 -13.450 -2.543 205 3HD2 LEU 27 HD22 LEU 27 3.822 -14.823 -3.570 206 H HIS 28 HN HIS 28 5.957 -14.470 2.470 207 HA HIS 28 HA HIS 28 3.717 -15.195 4.220 208 1HB HIS 28 HB2 HIS 28 6.699 -14.952 4.558 209 2HB HIS 28 HB1 HIS 28 5.653 -15.092 5.971 210 HD1 HIS 28 HD1 HIS 28 3.635 -17.129 5.268 211 HD2 HIS 28 HD2 HIS 28 7.583 -17.497 3.980 212 HE1 HIS 28 HE1 HIS 28 3.993 -19.582 4.748 213 H TYR 29 HN TYR 29 5.676 -12.368 3.534 214 HA TYR 29 HA TYR 29 4.907 -10.872 5.894 215 1HB TYR 29 HB2 TYR 29 6.913 -10.427 4.356 216 2HB TYR 29 HB1 TYR 29 5.760 -9.690 3.245 217 HD1 TYR 29 HD1 TYR 29 6.322 -9.657 6.962 218 HD2 TYR 29 HD2 TYR 29 5.672 -7.373 3.382 219 HE1 TYR 29 HE1 TYR 29 6.378 -7.561 8.288 220 HE2 TYR 29 HE2 TYR 29 5.728 -5.277 4.708 221 HH TYR 29 HH TYR 29 6.832 -5.171 7.927 222 H PHE 30 HN PHE 30 3.477 -11.445 2.758 223 HA PHE 30 HA PHE 30 1.661 -9.219 2.726 224 1HB PHE 30 HB2 PHE 30 2.217 -10.701 0.757 225 2HB PHE 30 HB1 PHE 30 1.215 -11.952 1.495 226 HD1 PHE 30 HD2 PHE 30 1.017 -8.280 0.716 227 HD2 PHE 30 HD1 PHE 30 -1.004 -12.069 0.811 228 HE1 PHE 30 HE2 PHE 30 -1.012 -7.222 -0.240 229 HE2 PHE 30 HE1 PHE 30 -3.033 -11.011 -0.143 230 HZ PHE 30 HZ PHE 30 -3.037 -8.587 -0.669 231 H ARG 31 HN ARG 31 1.306 -12.584 3.861 232 HA ARG 31 HA ARG 31 -1.415 -12.337 4.714 233 1HB ARG 31 HB2 ARG 31 0.113 -14.456 4.457 234 2HB ARG 31 HB1 ARG 31 0.548 -14.120 6.133 235 1HG ARG 31 HG2 ARG 31 -1.298 -15.553 6.357 236 2HG ARG 31 HG1 ARG 31 -2.025 -13.954 6.519 237 1HD ARG 31 HD2 ARG 31 -3.390 -15.215 4.978 238 2HD ARG 31 HD1 ARG 31 -2.503 -14.012 4.040 239 HE ARG 31 HE ARG 31 -1.198 -15.768 3.079 240 1HH1 ARG 31 HH11 ARG 31 -3.311 -16.897 5.595 241 2HH1 ARG 31 HH12 ARG 31 -3.087 -18.568 5.196 242 1HH2 ARG 31 HH21 ARG 31 -0.916 -17.939 2.572 243 2HH2 ARG 31 HH22 ARG 31 -1.738 -19.154 3.493 244 H ALA 32 HN ALA 32 1.626 -11.412 6.183 245 HA ALA 32 HA ALA 32 0.462 -10.982 8.838 246 1HB ALA 32 HB3 ALA 32 3.143 -10.410 7.579 247 2HB ALA 32 HB2 ALA 32 2.732 -9.775 9.172 248 3HB ALA 32 HB1 ALA 32 2.762 -11.517 8.898 249 H GLN 33 HN GLN 33 1.043 -9.116 5.933 250 HA GLN 33 HA GLN 33 0.256 -6.611 7.342 251 1HB GLN 33 HB2 GLN 33 1.489 -7.144 4.629 252 2HB GLN 33 HB1 GLN 33 0.901 -5.554 5.115 253 1HG GLN 33 HG2 GLN 33 2.897 -7.132 6.753 254 2HG GLN 33 HG1 GLN 33 3.380 -5.967 5.520 255 1HE2 GLN 33 HE22 GLN 33 2.452 -3.123 7.457 256 2HE2 GLN 33 HE21 GLN 33 2.833 -3.676 5.898 257 H THR 34 HN THR 34 -1.684 -8.719 6.815 258 HA THR 34 HA THR 34 -3.542 -7.161 5.081 259 HB THR 34 HB THR 34 -4.417 -9.449 4.283 260 HG1 THR 34 HG1 THR 34 -1.803 -10.299 4.859 261 1HG2 THR 34 HG21 THR 34 -1.811 -8.184 3.482 262 2HG2 THR 34 HG23 THR 34 -2.375 -9.638 2.658 263 3HG2 THR 34 HG22 THR 34 -3.358 -8.174 2.635 264 H VAL 35 HN VAL 35 -3.067 -9.553 7.636 265 HA VAL 35 HA VAL 35 -5.906 -9.615 8.352 266 HB VAL 35 HB VAL 35 -5.081 -10.932 10.322 267 1HG1 VAL 35 HG12 VAL 35 -4.085 -11.730 7.571 268 2HG1 VAL 35 HG11 VAL 35 -4.183 -12.832 8.944 269 3HG1 VAL 35 HG13 VAL 35 -5.653 -12.116 8.281 270 1HG2 VAL 35 HG22 VAL 35 -2.408 -10.301 9.036 271 2HG2 VAL 35 HG21 VAL 35 -2.923 -9.908 10.675 272 3HG2 VAL 35 HG23 VAL 35 -2.636 -11.587 10.221 273 H GLY 36 HN GLY 36 -6.897 -8.202 9.709 274 1HA GLY 36 HA2 GLY 36 -6.950 -6.897 11.778 275 2HA GLY 36 HA1 GLY 36 -5.220 -6.608 11.591 276 H LYS 37 HN LYS 37 -5.480 -6.027 8.705 277 HA LYS 37 HA LYS 37 -6.721 -3.313 8.935 278 1HB LYS 37 HB2 LYS 37 -4.326 -4.295 7.366 279 2HB LYS 37 HB1 LYS 37 -5.092 -2.737 7.055 280 1HG LYS 37 HG2 LYS 37 -3.411 -2.169 8.587 281 2HG LYS 37 HG1 LYS 37 -4.820 -2.371 9.629 282 1HD LYS 37 HD2 LYS 37 -4.103 -4.476 10.401 283 2HD LYS 37 HD1 LYS 37 -2.998 -4.698 9.044 284 1HE LYS 37 HE2 LYS 37 -1.624 -4.152 10.924 285 2HE LYS 37 HE1 LYS 37 -1.702 -2.691 9.940 286 1HZ LYS 37 HZ3 LYS 37 -3.865 -2.794 11.771 287 2HZ LYS 37 HZ2 LYS 37 -2.387 -2.942 12.596 288 3HZ LYS 37 HZ1 LYS 37 -2.672 -1.602 11.590 289 H ILE 38 HN ILE 38 -7.560 -2.455 6.820 290 HA ILE 38 HA ILE 38 -9.221 -4.483 5.523 291 HB ILE 38 HB ILE 38 -8.914 -1.546 4.834 292 1HG1 ILE 38 HG12 ILE 38 -10.985 -2.846 6.626 293 2HG1 ILE 38 HG11 ILE 38 -9.545 -2.037 7.243 294 1HG2 ILE 38 HG21 ILE 38 -11.024 -3.638 4.240 295 2HG2 ILE 38 HG23 ILE 38 -11.272 -1.909 3.992 296 3HG2 ILE 38 HG22 ILE 38 -10.029 -2.763 3.075 297 1HD1 ILE 38 HD13 ILE 38 -11.457 -0.665 5.348 298 2HD1 ILE 38 HD12 ILE 38 -11.678 -0.615 7.097 299 3HD1 ILE 38 HD11 ILE 38 -10.224 0.070 6.372 300 H MET 39 HN MET 39 -8.572 -5.627 3.777 301 HA MET 39 HA MET 39 -6.184 -4.749 2.270 302 1HB MET 39 HB2 MET 39 -6.514 -7.140 3.058 303 2HB MET 39 HB1 MET 39 -7.818 -7.269 1.877 304 1HG MET 39 HG2 MET 39 -6.154 -6.523 0.113 305 2HG MET 39 HG1 MET 39 -4.893 -6.713 1.331 306 1HE MET 39 HE1 MET 39 -7.720 -8.006 -0.519 307 2HE MET 39 HE3 MET 39 -7.406 -9.710 -0.880 308 3HE MET 39 HE2 MET 39 -8.170 -9.253 0.640 309 H VAL 40 HN VAL 40 -6.698 -3.223 0.750 310 HA VAL 40 HA VAL 40 -9.213 -3.496 -0.799 311 HB VAL 40 HB VAL 40 -7.111 -1.312 -0.924 312 1HG1 VAL 40 HG13 VAL 40 -8.637 -1.518 -2.887 313 2HG1 VAL 40 HG12 VAL 40 -10.015 -1.361 -1.797 314 3HG1 VAL 40 HG11 VAL 40 -8.888 -0.019 -1.991 315 1HG2 VAL 40 HG22 VAL 40 -8.128 -1.553 1.342 316 2HG2 VAL 40 HG21 VAL 40 -8.590 -0.043 0.558 317 3HG2 VAL 40 HG23 VAL 40 -9.726 -1.390 0.614 318 H VAL 41 HN VAL 41 -9.226 -4.273 -2.860 319 HA VAL 41 HA VAL 41 -6.731 -4.244 -4.457 320 HB VAL 41 HB VAL 41 -7.040 -6.667 -5.029 321 1HG1 VAL 41 HG13 VAL 41 -5.622 -5.613 -3.031 322 2HG1 VAL 41 HG12 VAL 41 -6.750 -6.553 -2.055 323 3HG1 VAL 41 HG11 VAL 41 -5.735 -7.359 -3.249 324 1HG2 VAL 41 HG22 VAL 41 -9.507 -6.522 -4.138 325 2HG2 VAL 41 HG21 VAL 41 -8.596 -8.015 -3.912 326 3HG2 VAL 41 HG23 VAL 41 -8.770 -6.878 -2.576 327 H GLY 42 HN GLY 42 -7.204 -4.881 -6.759 328 1HA GLY 42 HA2 GLY 42 -9.778 -3.715 -7.585 329 2HA GLY 42 HA1 GLY 42 -8.449 -4.162 -8.657 330 H ARG 43 HN ARG 43 -10.255 -5.143 -9.949 331 HA ARG 43 HA ARG 43 -11.506 -7.567 -8.851 332 1HB ARG 43 HB2 ARG 43 -12.476 -7.755 -11.158 333 2HB ARG 43 HB1 ARG 43 -12.816 -6.207 -10.384 334 1HG ARG 43 HG2 ARG 43 -10.884 -5.207 -11.586 335 2HG ARG 43 HG1 ARG 43 -10.619 -6.747 -12.404 336 1HD ARG 43 HD2 ARG 43 -12.658 -6.599 -13.594 337 2HD ARG 43 HD1 ARG 43 -13.293 -5.356 -12.517 338 HE ARG 43 HE ARG 43 -10.914 -4.398 -13.815 339 1HH1 ARG 43 HH21 ARG 43 -14.264 -5.127 -14.376 340 2HH1 ARG 43 HH22 ARG 43 -14.424 -3.971 -15.656 341 1HH2 ARG 43 HH11 ARG 43 -11.133 -2.903 -15.477 342 2HH2 ARG 43 HH12 ARG 43 -12.660 -2.718 -16.276 343 H ARG 44 HN ARG 44 -8.923 -6.722 -11.119 344 HA ARG 44 HA ARG 44 -8.451 -9.401 -12.071 345 1HB ARG 44 HB2 ARG 44 -7.594 -7.043 -12.940 346 2HB ARG 44 HB1 ARG 44 -6.226 -7.403 -11.885 347 1HG ARG 44 HG2 ARG 44 -5.832 -9.512 -13.035 348 2HG ARG 44 HG1 ARG 44 -7.275 -9.279 -14.023 349 1HD ARG 44 HD2 ARG 44 -5.682 -8.470 -15.487 350 2HD ARG 44 HD1 ARG 44 -6.055 -6.983 -14.615 351 HE ARG 44 HE ARG 44 -3.934 -7.118 -13.540 352 1HH1 ARG 44 HH11 ARG 44 -4.664 -9.981 -15.367 353 2HH1 ARG 44 HH12 ARG 44 -3.054 -10.610 -15.250 354 1HH2 ARG 44 HH21 ARG 44 -1.849 -7.944 -13.396 355 2HH2 ARG 44 HH22 ARG 44 -1.469 -9.461 -14.139 356 H THR 45 HN THR 45 -7.168 -7.506 -9.363 357 HA THR 45 HA THR 45 -5.230 -9.534 -8.585 358 HB THR 45 HB THR 45 -6.350 -7.366 -6.801 359 HG1 THR 45 HG1 THR 45 -5.671 -6.617 -8.935 360 1HG2 THR 45 HG22 THR 45 -4.834 -9.041 -5.795 361 2HG2 THR 45 HG21 THR 45 -3.622 -8.670 -7.022 362 3HG2 THR 45 HG23 THR 45 -4.087 -7.444 -5.842 363 H TYR 46 HN TYR 46 -8.585 -8.832 -7.849 364 HA TYR 46 HA TYR 46 -8.828 -10.394 -5.462 365 1HB TYR 46 HB2 TYR 46 -10.532 -8.751 -6.388 366 2HB TYR 46 HB1 TYR 46 -10.982 -9.996 -7.553 367 HD1 TYR 46 HD2 TYR 46 -10.356 -9.660 -3.863 368 HD2 TYR 46 HD1 TYR 46 -12.730 -11.420 -6.981 369 HE1 TYR 46 HE2 TYR 46 -11.798 -10.738 -2.157 370 HE2 TYR 46 HE1 TYR 46 -14.172 -12.498 -5.274 371 HH TYR 46 HH TYR 46 -13.437 -13.083 -2.353 372 H GLU 47 HN GLU 47 -9.012 -11.228 -8.897 373 HA GLU 47 HA GLU 47 -9.735 -14.018 -8.303 374 1HB GLU 47 HB2 GLU 47 -9.023 -12.609 -10.893 375 2HB GLU 47 HB1 GLU 47 -9.523 -14.297 -10.784 376 1HG GLU 47 HG2 GLU 47 -11.651 -13.573 -9.720 377 2HG GLU 47 HG1 GLU 47 -11.157 -11.891 -9.925 378 H SER 48 HN SER 48 -6.871 -12.126 -8.938 379 HA SER 48 HA SER 48 -5.112 -14.238 -9.737 380 1HB SER 48 HB2 SER 48 -3.311 -12.713 -9.154 381 2HB SER 48 HB1 SER 48 -4.602 -11.790 -9.919 382 HG SER 48 HG SER 48 -4.028 -10.704 -8.077 383 H PHE 49 HN PHE 49 -6.521 -13.442 -6.686 384 HA PHE 49 HA PHE 49 -4.552 -14.507 -4.913 385 1HB PHE 49 HB2 PHE 49 -7.560 -14.256 -4.717 386 2HB PHE 49 HB1 PHE 49 -6.581 -14.905 -3.400 387 HD1 PHE 49 HD1 PHE 49 -4.269 -13.378 -3.122 388 HD2 PHE 49 HD2 PHE 49 -8.129 -12.021 -4.432 389 HE1 PHE 49 HE1 PHE 49 -3.702 -11.073 -2.405 390 HE2 PHE 49 HE2 PHE 49 -7.561 -9.716 -3.714 391 HZ PHE 49 HZ PHE 49 -5.347 -9.242 -2.700 392 HA PRO 50 HA PRO 50 -4.972 -18.901 -5.472 393 1HB PRO 50 HB2 PRO 50 -4.415 -19.694 -2.847 394 2HB PRO 50 HB1 PRO 50 -3.217 -19.344 -4.100 395 1HG PRO 50 HG2 PRO 50 -3.766 -17.863 -1.712 396 2HG PRO 50 HG1 PRO 50 -2.548 -17.534 -2.953 397 1HD PRO 50 HD2 PRO 50 -5.127 -16.231 -2.516 398 2HD PRO 50 HD1 PRO 50 -3.768 -15.713 -3.528 399 H LYS 51 HN LYS 51 -6.123 -18.407 -2.123 400 HA LYS 51 HA LYS 51 -8.641 -19.829 -2.896 401 1HB LYS 51 HB2 LYS 51 -7.162 -19.755 -0.250 402 2HB LYS 51 HB1 LYS 51 -8.753 -20.483 -0.472 403 1HG LYS 51 HG2 LYS 51 -7.860 -22.064 -2.090 404 2HG LYS 51 HG1 LYS 51 -6.281 -21.280 -2.035 405 1HD LYS 51 HD2 LYS 51 -5.812 -22.074 0.113 406 2HD LYS 51 HD1 LYS 51 -7.514 -22.319 0.501 407 1HE LYS 51 HE2 LYS 51 -6.165 -23.907 -1.680 408 2HE LYS 51 HE1 LYS 51 -6.095 -24.422 0.005 409 1HZ LYS 51 HZ3 LYS 51 -8.737 -23.694 -0.707 410 2HZ LYS 51 HZ2 LYS 51 -8.144 -24.861 -1.790 411 3HZ LYS 51 HZ1 LYS 51 -8.160 -25.176 -0.120 412 H ARG 52 HN ARG 52 -9.880 -17.986 -3.376 413 HA ARG 52 HA ARG 52 -10.093 -15.877 -1.292 414 1HB ARG 52 HB2 ARG 52 -11.448 -14.684 -3.041 415 2HB ARG 52 HB1 ARG 52 -9.804 -15.056 -3.564 416 1HG ARG 52 HG2 ARG 52 -10.628 -17.070 -4.731 417 2HG ARG 52 HG1 ARG 52 -12.274 -16.691 -4.218 418 1HD ARG 52 HD2 ARG 52 -12.414 -14.811 -5.604 419 2HD ARG 52 HD1 ARG 52 -10.662 -14.636 -5.708 420 HE ARG 52 HE ARG 52 -10.692 -16.118 -7.535 421 1HH1 ARG 52 HH11 ARG 52 -13.592 -16.444 -5.651 422 2HH1 ARG 52 HH12 ARG 52 -14.331 -17.551 -6.760 423 1HH2 ARG 52 HH21 ARG 52 -11.660 -17.553 -8.967 424 2HH2 ARG 52 HH22 ARG 52 -13.241 -18.175 -8.629 425 HA PRO 53 HA PRO 53 -11.691 -14.177 -1.126 426 1HB PRO 53 HB2 PRO 53 -13.281 -13.527 1.084 427 2HB PRO 53 HB1 PRO 53 -13.682 -13.211 -0.610 428 1HG PRO 53 HG2 PRO 53 -14.941 -15.046 1.191 429 2HG PRO 53 HG1 PRO 53 -15.351 -14.709 -0.497 430 1HD PRO 53 HD2 PRO 53 -13.899 -16.987 0.627 431 2HD PRO 53 HD1 PRO 53 -14.617 -16.799 -0.982 432 H LEU 54 HN LEU 54 -10.187 -13.262 0.335 433 HA LEU 54 HA LEU 54 -8.874 -15.081 2.142 434 1HB LEU 54 HB2 LEU 54 -8.575 -12.075 1.883 435 2HB LEU 54 HB1 LEU 54 -7.440 -13.160 2.688 436 HG LEU 54 HG LEU 54 -8.222 -13.393 -0.232 437 1HD1 LEU 54 HD13 LEU 54 -6.867 -11.298 0.595 438 2HD1 LEU 54 HD12 LEU 54 -5.541 -12.451 0.749 439 3HD1 LEU 54 HD11 LEU 54 -6.307 -12.191 -0.819 440 1HD2 LEU 54 HD23 LEU 54 -6.120 -14.714 1.510 441 2HD2 LEU 54 HD22 LEU 54 -7.465 -15.498 0.680 442 3HD2 LEU 54 HD21 LEU 54 -6.130 -14.820 -0.251 443 HA PRO 55 HA PRO 55 -11.706 -14.049 5.555 444 1HB PRO 55 HB2 PRO 55 -10.800 -16.193 7.124 445 2HB PRO 55 HB1 PRO 55 -12.195 -16.213 6.036 446 1HG PRO 55 HG2 PRO 55 -9.719 -17.612 5.753 447 2HG PRO 55 HG1 PRO 55 -11.118 -17.631 4.671 448 1HD PRO 55 HD2 PRO 55 -8.577 -16.217 4.369 449 2HD PRO 55 HD1 PRO 55 -9.839 -16.522 3.165 450 H GLU 56 HN GLU 56 -11.203 -14.048 8.099 451 HA GLU 56 HA GLU 56 -9.973 -13.061 9.831 452 1HB GLU 56 HB2 GLU 56 -7.549 -13.876 8.200 453 2HB GLU 56 HB1 GLU 56 -7.594 -13.525 9.927 454 1HG GLU 56 HG2 GLU 56 -9.346 -15.417 10.075 455 2HG GLU 56 HG1 GLU 56 -8.788 -15.878 8.466 456 H ARG 57 HN ARG 57 -10.715 -11.548 7.339 457 HA ARG 57 HA ARG 57 -9.503 -9.047 8.011 458 1HB ARG 57 HB2 ARG 57 -8.158 -8.704 5.938 459 2HB ARG 57 HB1 ARG 57 -7.494 -9.972 6.969 460 1HG ARG 57 HG2 ARG 57 -9.024 -11.545 5.502 461 2HG ARG 57 HG1 ARG 57 -8.921 -10.222 4.342 462 1HD ARG 57 HD2 ARG 57 -7.066 -11.507 3.747 463 2HD ARG 57 HD1 ARG 57 -6.347 -10.338 4.856 464 HE ARG 57 HE ARG 57 -7.217 -12.620 6.346 465 1HH1 ARG 57 HH11 ARG 57 -4.822 -11.624 4.035 466 2HH1 ARG 57 HH12 ARG 57 -3.652 -12.785 4.570 467 1HH2 ARG 57 HH21 ARG 57 -5.692 -14.122 7.031 468 2HH2 ARG 57 HH22 ARG 57 -4.143 -14.191 6.258 469 H THR 58 HN THR 58 -9.949 -7.421 6.067 470 HA THR 58 HA THR 58 -12.670 -8.099 5.038 471 HB THR 58 HB THR 58 -11.479 -5.328 5.218 472 HG1 THR 58 HG1 THR 58 -12.369 -5.183 7.244 473 1HG2 THR 58 HG23 THR 58 -13.558 -5.832 3.845 474 2HG2 THR 58 HG22 THR 58 -14.354 -6.253 5.362 475 3HG2 THR 58 HG21 THR 58 -13.760 -4.613 5.104 476 H ASN 59 HN ASN 59 -12.789 -8.508 2.895 477 HA ASN 59 HA ASN 59 -10.556 -7.633 1.139 478 1HB ASN 59 HB2 ASN 59 -12.762 -9.679 0.852 479 2HB ASN 59 HB1 ASN 59 -11.781 -9.171 -0.524 480 1HD2 ASN 59 HD22 ASN 59 -9.791 -11.052 2.557 481 2HD2 ASN 59 HD21 ASN 59 -11.075 -10.005 2.927 482 H VAL 60 HN VAL 60 -10.887 -5.657 0.240 483 HA VAL 60 HA VAL 60 -13.668 -4.898 -0.540 484 HB VAL 60 HB VAL 60 -11.235 -3.110 -0.243 485 1HG1 VAL 60 HG11 VAL 60 -14.168 -2.665 -0.778 486 2HG1 VAL 60 HG13 VAL 60 -13.188 -1.405 -0.027 487 3HG1 VAL 60 HG12 VAL 60 -12.777 -2.002 -1.635 488 1HG2 VAL 60 HG23 VAL 60 -11.917 -4.180 1.906 489 2HG2 VAL 60 HG22 VAL 60 -12.209 -2.441 1.905 490 3HG2 VAL 60 HG21 VAL 60 -13.550 -3.560 1.669 491 H VAL 61 HN VAL 61 -14.044 -5.341 -2.654 492 HA VAL 61 HA VAL 61 -11.798 -5.236 -4.592 493 HB VAL 61 HB VAL 61 -14.662 -6.138 -5.025 494 1HG1 VAL 61 HG11 VAL 61 -13.248 -5.468 -7.028 495 2HG1 VAL 61 HG13 VAL 61 -12.158 -6.788 -6.601 496 3HG1 VAL 61 HG12 VAL 61 -13.829 -7.134 -7.047 497 1HG2 VAL 61 HG21 VAL 61 -12.170 -7.751 -4.385 498 2HG2 VAL 61 HG23 VAL 61 -13.538 -7.504 -3.301 499 3HG2 VAL 61 HG22 VAL 61 -13.748 -8.426 -4.790 500 H LEU 62 HN LEU 62 -11.566 -3.523 -5.946 501 HA LEU 62 HA LEU 62 -13.777 -1.522 -6.052 502 1HB LEU 62 HB2 LEU 62 -11.495 -0.803 -5.231 503 2HB LEU 62 HB1 LEU 62 -10.880 -1.138 -6.849 504 HG LEU 62 HG LEU 62 -12.787 0.407 -7.676 505 1HD1 LEU 62 HD12 LEU 62 -12.788 0.864 -4.706 506 2HD1 LEU 62 HD11 LEU 62 -13.147 2.208 -5.790 507 3HD1 LEU 62 HD13 LEU 62 -14.154 0.759 -5.816 508 1HD2 LEU 62 HD22 LEU 62 -10.355 1.356 -6.142 509 2HD2 LEU 62 HD21 LEU 62 -10.521 1.141 -7.885 510 3HD2 LEU 62 HD23 LEU 62 -11.370 2.457 -7.073 511 H THR 63 HN THR 63 -14.964 -1.557 -7.887 512 HA THR 63 HA THR 63 -13.627 -1.883 -10.495 513 HB THR 63 HB THR 63 -14.129 -4.200 -9.944 514 HG1 THR 63 HG1 THR 63 -15.873 -4.500 -11.582 515 1HG2 THR 63 HG21 THR 63 -15.887 -3.598 -8.231 516 2HG2 THR 63 HG23 THR 63 -17.007 -3.337 -9.567 517 3HG2 THR 63 HG22 THR 63 -16.325 -4.939 -9.288 518 H HIS 64 HN HIS 64 -14.629 -0.611 -12.003 519 HA HIS 64 HA HIS 64 -17.071 0.838 -11.161 520 1HB HIS 64 HB2 HIS 64 -14.899 1.856 -12.255 521 2HB HIS 64 HB1 HIS 64 -15.646 1.322 -13.761 522 HD1 HIS 64 HD1 HIS 64 -18.623 1.869 -12.953 523 HD2 HIS 64 HD2 HIS 64 -15.502 4.589 -12.460 524 HE1 HIS 64 HE1 HIS 64 -19.685 4.166 -12.849 525 H GLN 65 HN GLN 65 -17.175 -2.008 -11.982 526 HA GLN 65 HA GLN 65 -18.813 -1.760 -14.472 527 1HB GLN 65 HB2 GLN 65 -16.760 -3.373 -14.298 528 2HB GLN 65 HB1 GLN 65 -17.850 -4.377 -13.341 529 1HG GLN 65 HG2 GLN 65 -19.408 -4.572 -15.146 530 2HG GLN 65 HG1 GLN 65 -18.596 -3.308 -16.070 531 1HE2 GLN 65 HE22 GLN 65 -16.471 -5.618 -17.643 532 2HE2 GLN 65 HE21 GLN 65 -17.255 -4.113 -17.683 533 H GLU 66 HN GLU 66 -20.976 -2.116 -14.291 534 HA GLU 66 HA GLU 66 -22.070 -2.817 -11.642 535 1HB GLU 66 HB2 GLU 66 -23.384 -1.975 -14.243 536 2HB GLU 66 HB1 GLU 66 -24.270 -2.321 -12.757 537 1HG GLU 66 HG2 GLU 66 -23.034 -0.555 -11.583 538 2HG GLU 66 HG1 GLU 66 -22.098 -0.224 -13.042 539 H ASP 67 HN ASP 67 -20.660 -4.871 -13.223 540 HA ASP 67 HA ASP 67 -22.910 -6.826 -13.447 541 1HB ASP 67 HB2 ASP 67 -21.893 -6.030 -15.687 542 2HB ASP 67 HB1 ASP 67 -20.462 -6.945 -15.211 543 H TYR 68 HN TYR 68 -19.629 -6.111 -12.501 544 HA TYR 68 HA TYR 68 -18.746 -8.778 -11.936 545 1HB TYR 68 HB2 TYR 68 -17.328 -6.651 -12.024 546 2HB TYR 68 HB1 TYR 68 -17.925 -6.303 -10.401 547 HD1 TYR 68 HD2 TYR 68 -16.079 -8.807 -12.446 548 HD2 TYR 68 HD1 TYR 68 -17.064 -7.441 -8.495 549 HE1 TYR 68 HE2 TYR 68 -14.388 -10.350 -11.491 550 HE2 TYR 68 HE1 TYR 68 -15.372 -8.983 -7.540 551 HH TYR 68 HH TYR 68 -12.960 -10.290 -9.154 552 H GLN 69 HN GLN 69 -18.860 -9.985 -10.013 553 HA GLN 69 HA GLN 69 -20.486 -8.872 -7.782 554 1HB GLN 69 HB2 GLN 69 -21.071 -11.358 -9.387 555 2HB GLN 69 HB1 GLN 69 -21.612 -11.211 -7.714 556 1HG GLN 69 HG2 GLN 69 -22.813 -9.141 -8.261 557 2HG GLN 69 HG1 GLN 69 -22.241 -9.234 -9.927 558 1HE2 GLN 69 HE22 GLN 69 -24.401 -12.019 -10.745 559 2HE2 GLN 69 HE21 GLN 69 -22.866 -11.382 -11.091 560 H ALA 70 HN ALA 70 -19.813 -9.602 -5.774 561 HA ALA 70 HA ALA 70 -17.831 -11.826 -5.687 562 1HB ALA 70 HB2 ALA 70 -16.759 -9.471 -5.722 563 2HB ALA 70 HB1 ALA 70 -17.424 -9.290 -4.099 564 3HB ALA 70 HB3 ALA 70 -16.259 -10.571 -4.437 565 H GLN 71 HN GLN 71 -18.490 -13.269 -4.184 566 HA GLN 71 HA GLN 71 -20.509 -12.458 -2.182 567 1HB GLN 71 HB2 GLN 71 -19.339 -15.163 -2.904 568 2HB GLN 71 HB1 GLN 71 -20.599 -14.912 -1.696 569 1HG GLN 71 HG2 GLN 71 -20.928 -13.871 -4.506 570 2HG GLN 71 HG1 GLN 71 -21.336 -15.540 -4.105 571 1HE2 GLN 71 HE22 GLN 71 -23.823 -14.259 -1.607 572 2HE2 GLN 71 HE21 GLN 71 -22.411 -15.195 -1.502 573 H GLY 72 HN GLY 72 -20.066 -12.245 -0.021 574 1HA GLY 72 HA2 GLY 72 -18.851 -12.267 1.993 575 2HA GLY 72 HA1 GLY 72 -17.799 -13.488 1.277 576 H ALA 73 HN ALA 73 -18.431 -10.274 -0.060 577 HA ALA 73 HA ALA 73 -15.851 -9.228 0.870 578 1HB ALA 73 HB2 ALA 73 -16.347 -9.969 -2.021 579 2HB ALA 73 HB1 ALA 73 -15.125 -8.790 -1.544 580 3HB ALA 73 HB3 ALA 73 -15.001 -10.461 -0.993 581 H VAL 74 HN VAL 74 -15.892 -6.997 0.897 582 HA VAL 74 HA VAL 74 -18.423 -5.681 0.304 583 HB VAL 74 HB VAL 74 -15.766 -4.431 1.064 584 1HG1 VAL 74 HG12 VAL 74 -18.638 -3.483 1.298 585 2HG1 VAL 74 HG11 VAL 74 -17.238 -2.631 1.952 586 3HG1 VAL 74 HG13 VAL 74 -17.413 -2.833 0.209 587 1HG2 VAL 74 HG22 VAL 74 -16.482 -6.178 2.678 588 2HG2 VAL 74 HG21 VAL 74 -16.581 -4.563 3.379 589 3HG2 VAL 74 HG23 VAL 74 -18.046 -5.377 2.831 590 H VAL 75 HN VAL 75 -18.737 -5.760 -1.946 591 HA VAL 75 HA VAL 75 -16.663 -4.976 -3.827 592 HB VAL 75 HB VAL 75 -19.657 -5.156 -4.279 593 1HG1 VAL 75 HG13 VAL 75 -18.015 -4.021 -5.969 594 2HG1 VAL 75 HG12 VAL 75 -17.480 -5.670 -6.294 595 3HG1 VAL 75 HG11 VAL 75 -19.161 -5.218 -6.571 596 1HG2 VAL 75 HG22 VAL 75 -17.489 -7.268 -4.526 597 2HG2 VAL 75 HG21 VAL 75 -18.799 -7.260 -3.346 598 3HG2 VAL 75 HG23 VAL 75 -19.159 -7.466 -5.060 599 H VAL 76 HN VAL 76 -15.968 -2.873 -3.504 600 HA VAL 76 HA VAL 76 -17.966 -0.717 -3.161 601 HB VAL 76 HB VAL 76 -15.934 0.732 -2.908 602 1HG1 VAL 76 HG11 VAL 76 -16.015 -1.774 -1.198 603 2HG1 VAL 76 HG13 VAL 76 -15.221 -0.264 -0.752 604 3HG1 VAL 76 HG12 VAL 76 -16.973 -0.316 -0.941 605 1HG2 VAL 76 HG23 VAL 76 -14.490 -1.924 -3.190 606 2HG2 VAL 76 HG22 VAL 76 -14.429 -0.597 -4.349 607 3HG2 VAL 76 HG21 VAL 76 -13.739 -0.394 -2.739 608 H HIS 77 HN HIS 77 -17.994 1.127 -4.617 609 HA HIS 77 HA HIS 77 -16.763 0.646 -7.291 610 1HB HIS 77 HB2 HIS 77 -19.662 1.363 -6.753 611 2HB HIS 77 HB1 HIS 77 -18.907 1.386 -8.346 612 HD1 HIS 77 HD1 HIS 77 -18.906 -0.779 -9.602 613 HD2 HIS 77 HD2 HIS 77 -19.540 -1.360 -5.523 614 HE1 HIS 77 HE1 HIS 77 -19.388 -3.247 -9.296 615 H ASP 78 HN ASP 78 -16.133 2.473 -5.036 616 HA ASP 78 HA ASP 78 -15.727 4.884 -6.559 617 1HB ASP 78 HB2 ASP 78 -18.231 4.945 -5.848 618 2HB ASP 78 HB1 ASP 78 -17.604 5.278 -4.234 619 H VAL 79 HN VAL 79 -14.364 6.373 -5.408 620 HA VAL 79 HA VAL 79 -12.680 5.152 -3.413 621 HB VAL 79 HB VAL 79 -12.873 8.087 -4.151 622 1HG1 VAL 79 HG13 VAL 79 -10.860 6.367 -2.720 623 2HG1 VAL 79 HG12 VAL 79 -10.340 7.820 -3.574 624 3HG1 VAL 79 HG11 VAL 79 -11.501 7.942 -2.252 625 1HG2 VAL 79 HG22 VAL 79 -12.566 6.651 -6.147 626 2HG2 VAL 79 HG21 VAL 79 -11.110 7.583 -5.799 627 3HG2 VAL 79 HG23 VAL 79 -11.187 5.875 -5.367 628 H ALA 80 HN ALA 80 -15.390 7.407 -3.285 629 HA ALA 80 HA ALA 80 -15.065 8.143 -0.515 630 1HB ALA 80 HB3 ALA 80 -17.503 8.156 -2.318 631 2HB ALA 80 HB2 ALA 80 -17.457 8.870 -0.706 632 3HB ALA 80 HB1 ALA 80 -16.430 9.517 -1.986 633 H ALA 81 HN ALA 81 -16.624 5.463 -2.172 634 HA ALA 81 HA ALA 81 -18.159 4.512 0.076 635 1HB ALA 81 HB2 ALA 81 -18.466 3.860 -2.370 636 2HB ALA 81 HB1 ALA 81 -17.054 2.821 -2.178 637 3HB ALA 81 HB3 ALA 81 -18.505 2.525 -1.218 638 H VAL 82 HN VAL 82 -14.873 3.890 -1.090 639 HA VAL 82 HA VAL 82 -14.301 1.754 0.763 640 HB VAL 82 HB VAL 82 -12.346 3.670 -0.545 641 1HG1 VAL 82 HG11 VAL 82 -12.096 0.891 0.638 642 2HG1 VAL 82 HG13 VAL 82 -10.851 1.637 -0.365 643 3HG1 VAL 82 HG12 VAL 82 -11.288 2.360 1.183 644 1HG2 VAL 82 HG21 VAL 82 -13.847 1.274 -1.560 645 2HG2 VAL 82 HG23 VAL 82 -13.474 2.786 -2.387 646 3HG2 VAL 82 HG22 VAL 82 -12.213 1.577 -2.148 647 H PHE 83 HN PHE 83 -13.746 5.271 0.832 648 HA PHE 83 HA PHE 83 -12.409 5.249 3.398 649 1HB PHE 83 HB2 PHE 83 -13.694 7.394 1.709 650 2HB PHE 83 HB1 PHE 83 -13.079 7.752 3.323 651 HD1 PHE 83 HD1 PHE 83 -10.651 6.519 3.740 652 HD2 PHE 83 HD2 PHE 83 -12.220 7.873 -0.022 653 HE1 PHE 83 HE1 PHE 83 -8.347 6.667 2.833 654 HE2 PHE 83 HE2 PHE 83 -9.918 8.021 -0.930 655 HZ PHE 83 HZ PHE 83 -7.981 7.418 0.497 656 H ALA 84 HN ALA 84 -15.753 5.392 2.357 657 HA ALA 84 HA ALA 84 -16.890 6.346 4.816 658 1HB ALA 84 HB3 ALA 84 -18.122 6.269 2.651 659 2HB ALA 84 HB2 ALA 84 -18.137 4.509 2.748 660 3HB ALA 84 HB1 ALA 84 -19.004 5.464 3.950 661 H TYR 85 HN TYR 85 -16.063 3.110 3.628 662 HA TYR 85 HA TYR 85 -17.258 1.681 5.834 663 1HB TYR 85 HB2 TYR 85 -16.559 0.726 3.562 664 2HB TYR 85 HB1 TYR 85 -14.908 0.738 4.179 665 HD1 TYR 85 HD2 TYR 85 -18.308 -0.653 4.690 666 HD2 TYR 85 HD1 TYR 85 -14.170 -0.850 5.824 667 HE1 TYR 85 HE2 TYR 85 -18.736 -2.784 5.884 668 HE2 TYR 85 HE1 TYR 85 -14.598 -2.981 7.019 669 HH TYR 85 HH TYR 85 -16.853 -4.922 6.559 670 H ALA 86 HN ALA 86 -14.060 3.068 5.238 671 HA ALA 86 HA ALA 86 -12.791 1.906 7.556 672 1HB ALA 86 HB1 ALA 86 -11.648 2.962 5.518 673 2HB ALA 86 HB3 ALA 86 -12.021 4.524 6.249 674 3HB ALA 86 HB2 ALA 86 -10.974 3.383 7.093 675 H LYS 87 HN LYS 87 -14.838 4.688 7.039 676 HA LYS 87 HA LYS 87 -14.173 6.162 9.404 677 1HB LYS 87 HB2 LYS 87 -15.687 6.781 7.330 678 2HB LYS 87 HB1 LYS 87 -16.975 6.109 8.331 679 1HG LYS 87 HG2 LYS 87 -16.624 7.701 10.052 680 2HG LYS 87 HG1 LYS 87 -15.045 8.160 9.416 681 1HD LYS 87 HD2 LYS 87 -16.481 9.923 8.750 682 2HD LYS 87 HD1 LYS 87 -16.314 8.924 7.306 683 1HE LYS 87 HE2 LYS 87 -18.559 8.458 9.265 684 2HE LYS 87 HE1 LYS 87 -18.703 9.663 7.985 685 1HZ LYS 87 HZ1 LYS 87 -17.716 7.477 6.709 686 2HZ LYS 87 HZ3 LYS 87 -18.809 6.805 7.817 687 3HZ LYS 87 HZ2 LYS 87 -19.340 7.978 6.707 688 H GLN 88 HN GLN 88 -16.614 3.642 8.774 689 HA GLN 88 HA GLN 88 -17.719 3.669 11.436 690 1HB GLN 88 HB2 GLN 88 -17.714 1.576 9.246 691 2HB GLN 88 HB1 GLN 88 -18.579 1.373 10.771 692 1HG GLN 88 HG2 GLN 88 -19.984 3.260 10.334 693 2HG GLN 88 HG1 GLN 88 -18.979 3.778 8.980 694 1HE2 GLN 88 HE21 GLN 88 -20.701 0.748 9.958 695 2HE2 GLN 88 HE22 GLN 88 -21.333 0.441 8.413 696 H HIS 89 HN HIS 89 -14.974 2.052 9.953 697 HA HIS 89 HA HIS 89 -14.381 0.779 12.598 698 1HB HIS 89 HB2 HIS 89 -13.799 -0.170 9.782 699 2HB HIS 89 HB1 HIS 89 -13.010 -0.859 11.202 700 HD1 HIS 89 HD1 HIS 89 -14.158 -2.960 11.867 701 HD2 HIS 89 HD2 HIS 89 -16.875 -0.116 10.485 702 HE1 HIS 89 HE1 HIS 89 -16.457 -4.000 12.086 703 HA PRO 90 HA PRO 90 -10.971 3.795 11.893 704 1HB PRO 90 HB2 PRO 90 -10.891 4.501 14.602 705 2HB PRO 90 HB1 PRO 90 -11.732 5.388 13.322 706 1HG PRO 90 HG2 PRO 90 -12.872 3.928 15.506 707 2HG PRO 90 HG1 PRO 90 -13.707 4.836 14.238 708 1HD PRO 90 HD2 PRO 90 -13.353 1.946 14.500 709 2HD PRO 90 HD1 PRO 90 -14.450 2.849 13.442 710 H ASP 91 HN ASP 91 -11.440 1.151 14.113 711 HA ASP 91 HA ASP 91 -8.767 1.051 15.190 712 1HB ASP 91 HB2 ASP 91 -9.375 -1.314 15.768 713 2HB ASP 91 HB1 ASP 91 -10.572 -0.136 16.307 714 H GLN 92 HN GLN 92 -10.213 -0.006 12.198 715 HA GLN 92 HA GLN 92 -7.892 -1.697 11.503 716 1HB GLN 92 HB2 GLN 92 -10.493 -1.019 10.122 717 2HB GLN 92 HB1 GLN 92 -9.198 -1.881 9.289 718 1HG GLN 92 HG2 GLN 92 -9.322 -3.729 10.754 719 2HG GLN 92 HG1 GLN 92 -10.215 -2.816 11.970 720 1HE2 GLN 92 HE22 GLN 92 -12.306 -3.937 8.599 721 2HE2 GLN 92 HE21 GLN 92 -10.674 -3.496 8.444 722 H GLU 93 HN GLU 93 -7.200 -1.248 9.029 723 HA GLU 93 HA GLU 93 -6.834 1.682 8.634 724 1HB GLU 93 HB2 GLU 93 -4.643 -0.410 8.692 725 2HB GLU 93 HB1 GLU 93 -4.423 1.217 8.046 726 1HG GLU 93 HG2 GLU 93 -5.039 2.183 10.220 727 2HG GLU 93 HG1 GLU 93 -5.309 0.567 10.874 728 H LEU 94 HN LEU 94 -6.107 2.178 6.391 729 HA LEU 94 HA LEU 94 -7.283 0.224 4.479 730 1HB LEU 94 HB2 LEU 94 -7.977 2.717 4.602 731 2HB LEU 94 HB1 LEU 94 -6.429 3.043 3.821 732 HG LEU 94 HG LEU 94 -7.135 1.272 2.087 733 1HD1 LEU 94 HD11 LEU 94 -9.728 1.774 3.558 734 2HD1 LEU 94 HD13 LEU 94 -9.695 1.205 1.889 735 3HD1 LEU 94 HD12 LEU 94 -8.980 0.225 3.169 736 1HD2 LEU 94 HD23 LEU 94 -8.335 4.009 2.432 737 2HD2 LEU 94 HD22 LEU 94 -7.100 3.475 1.291 738 3HD2 LEU 94 HD21 LEU 94 -8.787 3.026 1.040 739 H VAL 95 HN VAL 95 -6.010 -0.817 3.002 740 HA VAL 95 HA VAL 95 -3.215 0.155 2.610 741 HB VAL 95 HB VAL 95 -3.999 -2.752 2.981 742 1HG1 VAL 95 HG12 VAL 95 -1.991 -2.142 1.525 743 2HG1 VAL 95 HG11 VAL 95 -1.251 -1.482 2.984 744 3HG1 VAL 95 HG13 VAL 95 -1.650 -3.198 2.897 745 1HG2 VAL 95 HG23 VAL 95 -4.211 -1.443 5.084 746 2HG2 VAL 95 HG22 VAL 95 -2.865 -2.581 5.158 747 3HG2 VAL 95 HG21 VAL 95 -2.556 -0.868 4.877 748 H ILE 96 HN ILE 96 -2.553 0.086 0.490 749 HA ILE 96 HA ILE 96 -4.512 -0.981 -1.487 750 HB ILE 96 HB ILE 96 -2.157 0.865 -1.965 751 1HG1 ILE 96 HG12 ILE 96 -3.783 1.907 -0.423 752 2HG1 ILE 96 HG11 ILE 96 -3.824 2.690 -2.000 753 1HG2 ILE 96 HG21 ILE 96 -3.094 -0.460 -3.904 754 2HG2 ILE 96 HG23 ILE 96 -4.626 0.375 -3.648 755 3HG2 ILE 96 HG22 ILE 96 -3.188 1.289 -4.100 756 1HD1 ILE 96 HD11 ILE 96 -5.760 0.555 -1.044 757 2HD1 ILE 96 HD13 ILE 96 -6.110 2.280 -1.154 758 3HD1 ILE 96 HD12 ILE 96 -5.804 1.347 -2.619 759 H ALA 97 HN ALA 97 -4.028 -2.916 -2.375 760 HA ALA 97 HA ALA 97 -1.173 -3.794 -2.401 761 1HB ALA 97 HB1 ALA 97 -3.792 -5.240 -2.202 762 2HB ALA 97 HB3 ALA 97 -2.414 -6.074 -2.919 763 3HB ALA 97 HB2 ALA 97 -2.316 -5.471 -1.265 764 H GLY 98 HN GLY 98 -3.960 -3.122 -4.396 765 1HA GLY 98 HA2 GLY 98 -2.659 -2.646 -6.781 766 2HA GLY 98 HA1 GLY 98 -2.891 -4.394 -6.794 767 H GLY 99 HN GLY 99 -5.934 -3.169 -8.444 768 1HA GLY 99 HA2 GLY 99 -3.211 -4.203 -8.824 769 2HA GLY 99 HA1 GLY 99 -4.390 -3.881 -10.097 770 H ALA 100 HN ALA 100 -2.772 -2.752 -11.333 771 HA ALA 100 HA ALA 100 -1.292 -0.510 -10.305 772 1HB ALA 100 HB3 ALA 100 -0.774 -1.828 -12.416 773 2HB ALA 100 HB2 ALA 100 -2.099 -0.958 -13.189 774 3HB ALA 100 HB1 ALA 100 -0.696 -0.075 -12.591 775 H GLN 101 HN GLN 101 -4.484 -0.856 -11.757 776 HA GLN 101 HA GLN 101 -4.917 1.994 -12.126 777 1HB GLN 101 HB2 GLN 101 -6.829 -0.357 -12.013 778 2HB GLN 101 HB1 GLN 101 -7.319 1.293 -12.401 779 1HG GLN 101 HG2 GLN 101 -6.015 1.328 -14.389 780 2HG GLN 101 HG1 GLN 101 -5.118 -0.116 -13.915 781 1HE2 GLN 101 HE22 GLN 101 -7.359 -2.076 -15.792 782 2HE2 GLN 101 HE21 GLN 101 -5.747 -1.690 -15.424 783 H ILE 102 HN ILE 102 -5.341 -0.283 -9.505 784 HA ILE 102 HA ILE 102 -7.099 1.411 -7.926 785 HB ILE 102 HB ILE 102 -5.304 -0.841 -6.984 786 1HG1 ILE 102 HG12 ILE 102 -6.749 -1.585 -8.846 787 2HG1 ILE 102 HG11 ILE 102 -7.270 -2.300 -7.322 788 1HG2 ILE 102 HG22 ILE 102 -7.699 0.592 -5.837 789 2HG2 ILE 102 HG21 ILE 102 -7.252 -1.028 -5.300 790 3HG2 ILE 102 HG23 ILE 102 -6.126 0.313 -5.090 791 1HD1 ILE 102 HD11 ILE 102 -8.972 -0.450 -7.121 792 2HD1 ILE 102 HD13 ILE 102 -8.522 0.067 -8.746 793 3HD1 ILE 102 HD12 ILE 102 -9.243 -1.523 -8.494 794 H PHE 103 HN PHE 103 -3.609 0.920 -8.172 795 HA PHE 103 HA PHE 103 -2.852 2.378 -5.828 796 1HB PHE 103 HB2 PHE 103 -1.452 1.758 -8.430 797 2HB PHE 103 HB1 PHE 103 -0.680 2.740 -7.185 798 HD1 PHE 103 HD1 PHE 103 -1.288 1.617 -4.676 799 HD2 PHE 103 HD2 PHE 103 -0.703 -0.444 -8.399 800 HE1 PHE 103 HE1 PHE 103 -0.662 -0.439 -3.439 801 HE2 PHE 103 HE2 PHE 103 -0.078 -2.500 -7.161 802 HZ PHE 103 HZ PHE 103 -0.057 -2.498 -4.681 803 H THR 104 HN THR 104 -2.978 3.437 -9.249 804 HA THR 104 HA THR 104 -2.449 6.194 -8.699 805 HB THR 104 HB THR 104 -4.147 5.237 -11.003 806 HG1 THR 104 HG1 THR 104 -2.542 3.899 -11.314 807 1HG2 THR 104 HG21 THR 104 -2.043 7.393 -10.677 808 2HG2 THR 104 HG23 THR 104 -2.883 7.022 -12.182 809 3HG2 THR 104 HG22 THR 104 -3.784 7.647 -10.800 810 H ALA 105 HN ALA 105 -5.334 4.264 -8.442 811 HA ALA 105 HA ALA 105 -7.248 6.423 -8.515 812 1HB ALA 105 HB2 ALA 105 -7.819 3.994 -8.812 813 2HB ALA 105 HB1 ALA 105 -7.496 3.754 -7.095 814 3HB ALA 105 HB3 ALA 105 -8.817 4.805 -7.604 815 H PHE 106 HN PHE 106 -5.341 4.907 -5.951 816 HA PHE 106 HA PHE 106 -6.523 6.821 -3.987 817 1HB PHE 106 HB2 PHE 106 -5.090 4.182 -3.693 818 2HB PHE 106 HB1 PHE 106 -5.248 5.292 -2.332 819 HD1 PHE 106 HD2 PHE 106 -7.525 5.979 -1.537 820 HD2 PHE 106 HD1 PHE 106 -6.956 2.910 -4.487 821 HE1 PHE 106 HE2 PHE 106 -9.840 5.180 -1.151 822 HE2 PHE 106 HE1 PHE 106 -9.272 2.111 -4.101 823 HZ PHE 106 HZ PHE 106 -10.714 3.246 -2.433 824 H LYS 107 HN LYS 107 -4.166 7.020 -6.100 825 HA LYS 107 HA LYS 107 -1.809 7.539 -4.501 826 1HB LYS 107 HB2 LYS 107 -1.836 7.018 -6.984 827 2HB LYS 107 HB1 LYS 107 -2.435 8.657 -7.246 828 1HG LYS 107 HG2 LYS 107 -0.437 9.545 -6.050 829 2HG LYS 107 HG1 LYS 107 0.175 7.897 -5.904 830 1HD LYS 107 HD2 LYS 107 1.252 8.681 -7.840 831 2HD LYS 107 HD1 LYS 107 -0.132 7.800 -8.488 832 1HE LYS 107 HE2 LYS 107 -1.313 9.767 -8.990 833 2HE LYS 107 HE1 LYS 107 -0.355 10.738 -7.872 834 1HZ LYS 107 HZ1 LYS 107 1.054 9.436 -10.073 835 2HZ LYS 107 HZ3 LYS 107 0.068 10.761 -10.463 836 3HZ LYS 107 HZ2 LYS 107 1.334 10.945 -9.344 837 H ASP 108 HN ASP 108 -4.617 9.402 -5.400 838 HA ASP 108 HA ASP 108 -3.434 12.000 -4.811 839 1HB ASP 108 HB2 ASP 108 -5.525 11.417 -6.283 840 2HB ASP 108 HB1 ASP 108 -6.392 11.466 -4.748 841 H ASP 109 HN ASP 109 -3.702 9.601 -2.771 842 HA ASP 109 HA ASP 109 -4.088 11.335 -0.447 843 1HB ASP 109 HB2 ASP 109 -6.123 9.272 -1.248 844 2HB ASP 109 HB1 ASP 109 -5.828 9.586 0.464 845 H VAL 110 HN VAL 110 -1.930 9.738 -1.508 846 HA VAL 110 HA VAL 110 -1.778 7.367 0.249 847 HB VAL 110 HB VAL 110 -0.944 7.202 -2.070 848 1HG1 VAL 110 HG13 VAL 110 0.980 9.365 -1.171 849 2HG1 VAL 110 HG12 VAL 110 1.160 8.435 -2.659 850 3HG1 VAL 110 HG11 VAL 110 -0.236 9.492 -2.442 851 1HG2 VAL 110 HG22 VAL 110 0.168 6.042 0.005 852 2HG2 VAL 110 HG21 VAL 110 0.991 5.986 -1.554 853 3HG2 VAL 110 HG23 VAL 110 1.507 7.141 -0.325 854 H ASP 111 HN ASP 111 -0.175 7.149 1.895 855 HA ASP 111 HA ASP 111 1.118 9.709 2.748 856 1HB ASP 111 HB2 ASP 111 -0.145 7.595 4.522 857 2HB ASP 111 HB1 ASP 111 0.709 9.030 5.092 858 H THR 112 HN THR 112 1.180 6.156 3.142 859 HA THR 112 HA THR 112 4.133 6.339 3.556 860 HB THR 112 HB THR 112 2.405 3.911 4.066 861 HG1 THR 112 HG1 THR 112 1.669 4.868 5.761 862 1HG2 THR 112 HG21 THR 112 5.094 4.847 5.101 863 2HG2 THR 112 HG23 THR 112 4.262 3.389 5.641 864 3HG2 THR 112 HG22 THR 112 4.812 3.524 3.971 865 H LEU 113 HN LEU 113 5.458 4.715 2.431 866 HA LEU 113 HA LEU 113 4.167 3.524 0.022 867 1HB LEU 113 HB2 LEU 113 6.553 5.373 0.105 868 2HB LEU 113 HB1 LEU 113 6.310 4.244 -1.229 869 HG LEU 113 HG LEU 113 4.108 6.106 -0.343 870 1HD1 LEU 113 HD11 LEU 113 6.151 7.443 -0.875 871 2HD1 LEU 113 HD13 LEU 113 6.207 6.668 -2.460 872 3HD1 LEU 113 HD12 LEU 113 4.845 7.705 -2.032 873 1HD2 LEU 113 HD23 LEU 113 3.630 4.152 -1.844 874 2HD2 LEU 113 HD22 LEU 113 3.296 5.707 -2.606 875 3HD2 LEU 113 HD21 LEU 113 4.767 4.823 -3.014 876 H LEU 114 HN LEU 114 4.462 1.386 0.522 877 HA LEU 114 HA LEU 114 7.139 0.518 1.513 878 1HB LEU 114 HB2 LEU 114 4.471 -0.927 1.457 879 2HB LEU 114 HB1 LEU 114 5.975 -1.615 2.071 880 HG LEU 114 HG LEU 114 4.891 1.000 3.119 881 1HD1 LEU 114 HD11 LEU 114 4.280 -1.819 4.050 882 2HD1 LEU 114 HD13 LEU 114 3.983 -0.380 5.023 883 3HD1 LEU 114 HD12 LEU 114 3.122 -0.607 3.501 884 1HD2 LEU 114 HD21 LEU 114 6.858 -1.088 4.090 885 2HD2 LEU 114 HD23 LEU 114 7.187 0.599 3.694 886 3HD2 LEU 114 HD22 LEU 114 6.241 0.197 5.127 887 H VAL 115 HN VAL 115 8.423 0.162 -0.260 888 HA VAL 115 HA VAL 115 7.256 -1.412 -2.517 889 HB VAL 115 HB VAL 115 8.079 0.826 -3.156 890 1HG1 VAL 115 HG13 VAL 115 9.849 0.774 -1.259 891 2HG1 VAL 115 HG12 VAL 115 10.862 -0.073 -2.427 892 3HG1 VAL 115 HG11 VAL 115 10.285 1.556 -2.777 893 1HG2 VAL 115 HG22 VAL 115 8.347 -1.226 -4.661 894 2HG2 VAL 115 HG21 VAL 115 9.398 0.141 -5.029 895 3HG2 VAL 115 HG23 VAL 115 10.037 -1.253 -4.158 896 H THR 116 HN THR 116 8.180 -3.369 -3.022 897 HA THR 116 HA THR 116 10.479 -4.244 -1.325 898 HB THR 116 HB THR 116 8.521 -5.999 -2.832 899 HG1 THR 116 HG1 THR 116 7.851 -4.507 -0.935 900 1HG2 THR 116 HG21 THR 116 10.714 -6.994 -2.213 901 2HG2 THR 116 HG23 THR 116 10.407 -6.571 -0.529 902 3HG2 THR 116 HG22 THR 116 9.373 -7.743 -1.347 903 H ARG 117 HN ARG 117 12.254 -3.703 -2.583 904 HA ARG 117 HA ARG 117 12.265 -4.221 -5.473 905 1HB ARG 117 HB2 ARG 117 14.369 -3.216 -3.539 906 2HB ARG 117 HB1 ARG 117 14.676 -3.456 -5.259 907 1HG ARG 117 HG2 ARG 117 12.780 -1.920 -5.776 908 2HG ARG 117 HG1 ARG 117 12.589 -1.620 -4.048 909 1HD ARG 117 HD2 ARG 117 14.986 -0.857 -3.988 910 2HD ARG 117 HD1 ARG 117 15.019 -0.991 -5.746 911 HE ARG 117 HE ARG 117 13.587 1.064 -4.192 912 1HH1 ARG 117 HH11 ARG 117 14.092 -0.532 -7.237 913 2HH1 ARG 117 HH12 ARG 117 13.433 0.773 -8.165 914 1HH2 ARG 117 HH21 ARG 117 12.733 2.750 -5.408 915 2HH2 ARG 117 HH22 ARG 117 12.667 2.621 -7.134 916 H LEU 118 HN LEU 118 13.590 -5.790 -6.506 917 HA LEU 118 HA LEU 118 14.684 -7.915 -4.706 918 1HB LEU 118 HB2 LEU 118 12.705 -8.083 -6.884 919 2HB LEU 118 HB1 LEU 118 14.022 -9.247 -7.036 920 HG LEU 118 HG LEU 118 13.604 -9.793 -4.558 921 1HD1 LEU 118 HD11 LEU 118 11.021 -8.346 -5.224 922 2HD1 LEU 118 HD13 LEU 118 11.317 -9.288 -3.762 923 3HD1 LEU 118 HD12 LEU 118 12.231 -7.809 -4.058 924 1HD2 LEU 118 HD23 LEU 118 12.805 -11.045 -6.728 925 2HD2 LEU 118 HD22 LEU 118 12.124 -11.501 -5.166 926 3HD2 LEU 118 HD21 LEU 118 11.211 -10.457 -6.254 927 H ALA 119 HN ALA 119 16.770 -8.483 -5.151 928 HA ALA 119 HA ALA 119 18.321 -6.989 -7.053 929 1HB ALA 119 HB3 ALA 119 19.155 -8.122 -4.918 930 2HB ALA 119 HB2 ALA 119 19.116 -9.637 -5.821 931 3HB ALA 119 HB1 ALA 119 20.173 -8.326 -6.343 932 H GLY 120 HN GLY 120 16.779 -10.163 -7.146 933 1HA GLY 120 HA2 GLY 120 18.040 -11.032 -9.600 934 2HA GLY 120 HA1 GLY 120 16.583 -11.730 -8.890 935 H SER 121 HN SER 121 17.549 -10.429 -11.656 936 HA SER 121 HA SER 121 15.387 -8.492 -12.104 937 1HB SER 121 HB2 SER 121 16.287 -8.705 -14.529 938 2HB SER 121 HB1 SER 121 17.342 -7.978 -13.320 939 HG SER 121 HG SER 121 17.436 -10.518 -14.513 940 H PHE 122 HN PHE 122 13.506 -8.888 -13.277 941 HA PHE 122 HA PHE 122 13.110 -11.568 -14.480 942 1HB PHE 122 HB2 PHE 122 11.287 -10.401 -12.352 943 2HB PHE 122 HB1 PHE 122 10.970 -11.872 -13.272 944 HD1 PHE 122 HD1 PHE 122 12.344 -13.893 -12.942 945 HD2 PHE 122 HD2 PHE 122 12.966 -10.347 -10.598 946 HE1 PHE 122 HE1 PHE 122 13.701 -15.198 -11.327 947 HE2 PHE 122 HE2 PHE 122 14.322 -11.652 -8.983 948 HZ PHE 122 HZ PHE 122 14.689 -14.078 -9.348 949 H GLU 123 HN GLU 123 12.115 -11.299 -16.414 950 HA GLU 123 HA GLU 123 10.924 -8.676 -17.061 951 1HB GLU 123 HB2 GLU 123 10.784 -9.637 -19.375 952 2HB GLU 123 HB1 GLU 123 12.420 -9.646 -18.716 953 1HG GLU 123 HG2 GLU 123 12.281 -11.984 -18.177 954 2HG GLU 123 HG1 GLU 123 10.553 -12.021 -18.528 955 H GLY 124 HN GLY 124 8.749 -8.422 -17.734 956 1HA GLY 124 HA2 GLY 124 6.943 -10.761 -17.599 957 2HA GLY 124 HA1 GLY 124 6.655 -9.477 -16.424 958 H ASP 125 HN ASP 125 4.802 -8.517 -17.174 959 HA ASP 125 HA ASP 125 4.935 -7.289 -19.886 960 1HB ASP 125 HB2 ASP 125 2.514 -7.869 -20.208 961 2HB ASP 125 HB1 ASP 125 3.570 -9.281 -20.175 962 H THR 126 HN THR 126 3.622 -7.320 -16.623 963 HA THR 126 HA THR 126 2.422 -4.632 -17.034 964 HB THR 126 HB THR 126 2.360 -6.175 -14.447 965 HG1 THR 126 HG1 THR 126 1.109 -7.605 -15.309 966 1HG2 THR 126 HG22 THR 126 1.504 -3.751 -14.838 967 2HG2 THR 126 HG21 THR 126 0.179 -4.525 -15.705 968 3HG2 THR 126 HG23 THR 126 0.447 -4.887 -13.999 969 H LYS 127 HN LYS 127 3.193 -2.811 -15.940 970 HA LYS 127 HA LYS 127 5.728 -3.189 -14.391 971 1HB LYS 127 HB2 LYS 127 4.988 -0.949 -16.300 972 2HB LYS 127 HB1 LYS 127 6.439 -0.975 -15.296 973 1HG LYS 127 HG2 LYS 127 7.260 -2.954 -16.414 974 2HG LYS 127 HG1 LYS 127 5.743 -3.144 -17.295 975 1HD LYS 127 HD2 LYS 127 6.209 -0.790 -18.241 976 2HD LYS 127 HD1 LYS 127 7.853 -1.012 -17.641 977 1HE LYS 127 HE2 LYS 127 7.914 -3.200 -18.921 978 2HE LYS 127 HE1 LYS 127 6.391 -2.720 -19.668 979 1HZ LYS 127 HZ1 LYS 127 8.674 -0.868 -19.692 980 2HZ LYS 127 HZ3 LYS 127 8.619 -2.137 -20.815 981 3HZ LYS 127 HZ2 LYS 127 7.372 -0.983 -20.776 982 H MET 128 HN MET 128 6.147 -1.000 -13.106 983 HA MET 128 HA MET 128 3.655 -0.488 -11.568 984 1HB MET 128 HB2 MET 128 5.791 -1.231 -10.416 985 2HB MET 128 HB1 MET 128 6.485 0.329 -10.862 986 1HG MET 128 HG2 MET 128 5.606 0.538 -8.622 987 2HG MET 128 HG1 MET 128 4.537 1.435 -9.699 988 1HE MET 128 HE2 MET 128 2.629 1.524 -8.113 989 2HE MET 128 HE1 MET 128 1.931 0.165 -7.234 990 3HE MET 128 HE3 MET 128 3.574 0.711 -6.868 991 H ILE 129 HN ILE 129 3.025 1.692 -11.063 992 HA ILE 129 HA ILE 129 3.403 3.560 -13.244 993 HB ILE 129 HB ILE 129 2.054 5.099 -11.796 994 1HG1 ILE 129 HG12 ILE 129 2.014 2.759 -9.866 995 2HG1 ILE 129 HG11 ILE 129 3.028 4.185 -9.642 996 1HG2 ILE 129 HG23 ILE 129 1.122 3.191 -13.280 997 2HG2 ILE 129 HG22 ILE 129 0.828 2.343 -11.762 998 3HG2 ILE 129 HG21 ILE 129 0.043 3.892 -12.074 999 1HD1 ILE 129 HD13 ILE 129 0.910 5.580 -9.827 1000 2HD1 ILE 129 HD12 ILE 129 0.006 4.069 -9.728 1001 3HD1 ILE 129 HD11 ILE 129 1.025 4.576 -8.382 1002 HA PRO 130 HA PRO 130 6.809 5.955 -11.675 1003 1HB PRO 130 HB2 PRO 130 6.031 8.469 -12.634 1004 2HB PRO 130 HB1 PRO 130 6.913 7.237 -13.547 1005 1HG PRO 130 HG2 PRO 130 4.233 8.159 -13.952 1006 2HG PRO 130 HG1 PRO 130 5.128 6.946 -14.878 1007 1HD PRO 130 HD2 PRO 130 3.051 6.554 -12.861 1008 2HD PRO 130 HD1 PRO 130 3.716 5.395 -14.023 1009 H LEU 131 HN LEU 131 6.558 6.002 -9.410 1010 HA LEU 131 HA LEU 131 4.641 7.870 -8.181 1011 1HB LEU 131 HB2 LEU 131 6.741 6.051 -6.960 1012 2HB LEU 131 HB1 LEU 131 5.559 6.985 -6.044 1013 HG LEU 131 HG LEU 131 4.728 5.043 -8.203 1014 1HD1 LEU 131 HD12 LEU 131 5.137 4.530 -5.241 1015 2HD1 LEU 131 HD11 LEU 131 4.280 3.441 -6.332 1016 3HD1 LEU 131 HD13 LEU 131 5.999 3.755 -6.570 1017 1HD2 LEU 131 HD23 LEU 131 3.332 6.273 -5.803 1018 2HD2 LEU 131 HD22 LEU 131 3.060 6.697 -7.494 1019 3HD2 LEU 131 HD21 LEU 131 2.604 5.099 -6.901 1020 H ASN 132 HN ASN 132 5.168 9.867 -7.375 1021 HA ASN 132 HA ASN 132 7.799 10.970 -8.023 1022 1HB ASN 132 HB2 ASN 132 5.475 12.162 -8.092 1023 2HB ASN 132 HB1 ASN 132 5.723 12.381 -6.359 1024 1HD2 ASN 132 HD22 ASN 132 7.590 15.282 -7.080 1025 2HD2 ASN 132 HD21 ASN 132 6.300 14.584 -6.224 1026 H TRP 133 HN TRP 133 9.168 9.701 -6.625 1027 HA TRP 133 HA TRP 133 8.788 9.543 -3.777 1028 1HB TRP 133 HB2 TRP 133 11.323 9.293 -5.425 1029 2HB TRP 133 HB1 TRP 133 11.159 8.818 -3.734 1030 HD1 TRP 133 HD1 TRP 133 10.220 7.770 -7.256 1031 HE1 TRP 133 HE1 TRP 133 9.218 5.395 -7.192 1032 HE3 TRP 133 HE3 TRP 133 9.809 7.119 -2.207 1033 HZ2 TRP 133 HZ2 TRP 133 8.356 3.474 -5.256 1034 HZ3 TRP 133 HZ3 TRP 133 8.896 5.010 -1.281 1035 HH2 TRP 133 HH2 TRP 133 8.169 3.187 -2.798 1036 H ASP 134 HN ASP 134 9.812 12.098 -5.815 1037 HA ASP 134 HA ASP 134 11.649 13.468 -4.109 1038 1HB ASP 134 HB2 ASP 134 11.056 13.978 -6.560 1039 2HB ASP 134 HB1 ASP 134 9.657 14.842 -5.921 1040 H ASP 135 HN ASP 135 8.162 13.184 -4.060 1041 HA ASP 135 HA ASP 135 7.936 15.309 -1.999 1042 1HB ASP 135 HB2 ASP 135 5.984 13.774 -3.690 1043 2HB ASP 135 HB1 ASP 135 5.429 14.534 -2.199 1044 H PHE 136 HN PHE 136 9.313 12.719 -1.500 1045 HA PHE 136 HA PHE 136 7.733 11.932 0.892 1046 1HB PHE 136 HB2 PHE 136 8.728 10.086 -1.281 1047 2HB PHE 136 HB1 PHE 136 8.425 9.506 0.357 1048 HD1 PHE 136 HD1 PHE 136 6.157 9.501 1.299 1049 HD2 PHE 136 HD2 PHE 136 6.904 10.809 -2.723 1050 HE1 PHE 136 HE1 PHE 136 3.732 9.355 0.801 1051 HE2 PHE 136 HE2 PHE 136 4.480 10.663 -3.221 1052 HZ PHE 136 HZ PHE 136 2.893 9.937 -1.459 1053 H THR 137 HN THR 137 9.256 10.240 2.160 1054 HA THR 137 HA THR 137 12.119 10.872 1.882 1055 HB THR 137 HB THR 137 10.724 11.522 4.487 1056 HG1 THR 137 HG1 THR 137 11.201 13.734 3.733 1057 1HG2 THR 137 HG22 THR 137 13.485 11.973 3.348 1058 2HG2 THR 137 HG21 THR 137 12.895 12.832 4.770 1059 3HG2 THR 137 HG23 THR 137 13.046 11.076 4.800 1060 H LYS 138 HN LYS 138 13.375 9.225 2.729 1061 HA LYS 138 HA LYS 138 12.003 6.786 3.555 1062 1HB LYS 138 HB2 LYS 138 14.199 7.042 2.157 1063 2HB LYS 138 HB1 LYS 138 14.980 7.192 3.730 1064 1HG LYS 138 HG2 LYS 138 13.720 5.044 4.373 1065 2HG LYS 138 HG1 LYS 138 13.400 4.856 2.648 1066 1HD LYS 138 HD2 LYS 138 16.201 5.347 3.645 1067 2HD LYS 138 HD1 LYS 138 15.522 3.718 3.631 1068 1HE LYS 138 HE2 LYS 138 16.558 3.860 1.529 1069 2HE LYS 138 HE1 LYS 138 14.880 4.262 1.164 1070 1HZ LYS 138 HZ1 LYS 138 16.517 6.509 1.949 1071 2HZ LYS 138 HZ3 LYS 138 16.988 5.780 0.493 1072 3HZ LYS 138 HZ2 LYS 138 15.404 6.366 0.673 1073 H VAL 139 HN VAL 139 12.426 5.679 5.596 1074 HA VAL 139 HA VAL 139 13.515 7.357 7.790 1075 HB VAL 139 HB VAL 139 11.510 6.816 9.197 1076 1HG1 VAL 139 HG11 VAL 139 10.948 8.341 6.634 1077 2HG1 VAL 139 HG13 VAL 139 10.038 8.492 8.137 1078 3HG1 VAL 139 HG12 VAL 139 11.725 9.003 8.072 1079 1HG2 VAL 139 HG22 VAL 139 10.468 5.820 6.527 1080 2HG2 VAL 139 HG21 VAL 139 10.669 4.877 8.003 1081 3HG2 VAL 139 HG23 VAL 139 9.441 6.140 7.925 1082 H SER 140 HN SER 140 12.420 4.233 6.592 1083 HA SER 140 HA SER 140 14.413 2.902 8.312 1084 1HB SER 140 HB2 SER 140 11.448 2.305 8.450 1085 2HB SER 140 HB1 SER 140 12.687 1.216 9.065 1086 HG SER 140 HG SER 140 12.901 3.864 9.843 1087 H SER 141 HN SER 141 14.938 0.770 7.533 1088 HA SER 141 HA SER 141 13.602 -0.169 5.070 1089 1HB SER 141 HB2 SER 141 15.827 -0.324 3.891 1090 2HB SER 141 HB1 SER 141 15.258 1.325 4.136 1091 HG SER 141 HG SER 141 16.847 0.113 6.103 1092 H ARG 142 HN ARG 142 13.373 -2.329 5.319 1093 HA ARG 142 HA ARG 142 15.164 -3.753 7.216 1094 1HB ARG 142 HB2 ARG 142 12.560 -3.876 7.232 1095 2HB ARG 142 HB1 ARG 142 12.762 -4.963 5.858 1096 1HG ARG 142 HG2 ARG 142 12.706 -6.353 7.809 1097 2HG ARG 142 HG1 ARG 142 14.392 -6.286 7.295 1098 1HD ARG 142 HD2 ARG 142 15.001 -4.838 9.036 1099 2HD ARG 142 HD1 ARG 142 13.343 -4.295 9.292 1100 HE ARG 142 HE ARG 142 13.915 -7.139 9.879 1101 1HH1 ARG 142 HH21 ARG 142 13.380 -3.896 11.004 1102 2HH1 ARG 142 HH22 ARG 142 13.010 -4.392 12.622 1103 1HH2 ARG 142 HH11 ARG 142 13.434 -7.769 11.981 1104 2HH2 ARG 142 HH12 ARG 142 13.040 -6.574 13.171 1105 H THR 143 HN THR 143 17.019 -4.226 6.040 1106 HA THR 143 HA THR 143 16.826 -5.299 3.311 1107 HB THR 143 HB THR 143 19.298 -5.196 5.050 1108 HG1 THR 143 HG1 THR 143 19.493 -3.126 3.757 1109 1HG2 THR 143 HG21 THR 143 18.709 -5.341 2.100 1110 2HG2 THR 143 HG23 THR 143 20.260 -4.740 2.686 1111 3HG2 THR 143 HG22 THR 143 19.749 -6.385 3.068 1112 H VAL 144 HN VAL 144 17.093 -7.451 2.744 1113 HA VAL 144 HA VAL 144 17.878 -9.411 4.812 1114 HB VAL 144 HB VAL 144 15.433 -9.197 5.082 1115 1HG1 VAL 144 HG11 VAL 144 15.335 -9.988 2.155 1116 2HG1 VAL 144 HG13 VAL 144 13.938 -9.825 3.218 1117 3HG1 VAL 144 HG12 VAL 144 14.904 -8.408 2.810 1118 1HG2 VAL 144 HG21 VAL 144 16.683 -11.452 5.189 1119 2HG2 VAL 144 HG23 VAL 144 14.929 -11.515 5.013 1120 3HG2 VAL 144 HG22 VAL 144 15.967 -11.783 3.612 1121 H GLU 145 HN GLU 145 18.981 -11.113 3.902 1122 HA GLU 145 HA GLU 145 19.081 -11.204 0.915 1123 1HB GLU 145 HB2 GLU 145 21.194 -10.678 2.336 1124 2HB GLU 145 HB1 GLU 145 21.163 -12.394 2.743 1125 1HG GLU 145 HG2 GLU 145 21.064 -12.872 0.251 1126 2HG GLU 145 HG1 GLU 145 21.396 -11.160 -0.011 1127 H ASP 146 HN ASP 146 18.183 -12.978 0.004 1128 HA ASP 146 HA ASP 146 17.285 -15.207 1.672 1129 1HB ASP 146 HB2 ASP 146 16.147 -14.169 -0.451 1130 2HB ASP 146 HB1 ASP 146 17.240 -15.234 -1.334 1131 H THR 147 HN THR 147 17.675 -17.406 0.010 1132 HA THR 147 HA THR 147 20.414 -18.114 0.641 1133 HB THR 147 HB THR 147 19.794 -20.214 -0.708 1134 HG1 THR 147 HG1 THR 147 17.407 -20.295 -0.894 1135 1HG2 THR 147 HG23 THR 147 19.589 -19.916 1.796 1136 2HG2 THR 147 HG22 THR 147 17.901 -19.473 1.535 1137 3HG2 THR 147 HG21 THR 147 18.468 -21.086 1.100 1138 H ASN 148 HN ASN 148 18.666 -17.342 -2.361 1139 HA ASN 148 HA ASN 148 21.228 -17.511 -3.860 1140 1HB ASN 148 HB2 ASN 148 19.180 -18.655 -4.760 1141 2HB ASN 148 HB1 ASN 148 18.427 -17.069 -4.933 1142 1HD2 ASN 148 HD22 ASN 148 20.777 -18.338 -7.874 1143 2HD2 ASN 148 HD21 ASN 148 20.062 -19.346 -6.710 1144 HA PRO 149 HA PRO 149 21.964 -13.117 -3.697 1145 1HB PRO 149 HB2 PRO 149 22.769 -13.063 -6.485 1146 2HB PRO 149 HB1 PRO 149 23.771 -12.899 -5.037 1147 1HG PRO 149 HG2 PRO 149 23.506 -15.164 -6.776 1148 2HG PRO 149 HG1 PRO 149 24.567 -14.966 -5.375 1149 1HD PRO 149 HD2 PRO 149 22.343 -16.670 -5.544 1150 2HD PRO 149 HD1 PRO 149 23.219 -16.228 -4.071 1151 H ALA 150 HN ALA 150 20.447 -14.369 -6.683 1152 HA ALA 150 HA ALA 150 19.174 -11.910 -7.422 1153 1HB ALA 150 HB2 ALA 150 19.509 -14.036 -8.842 1154 2HB ALA 150 HB1 ALA 150 18.067 -14.653 -8.035 1155 3HB ALA 150 HB3 ALA 150 17.971 -13.192 -9.016 1156 H LEU 151 HN LEU 151 18.328 -14.433 -5.149 1157 HA LEU 151 HA LEU 151 15.550 -13.561 -4.861 1158 1HB LEU 151 HB2 LEU 151 17.325 -15.527 -3.425 1159 2HB LEU 151 HB1 LEU 151 15.759 -15.077 -2.751 1160 HG LEU 151 HG LEU 151 16.085 -16.027 -5.603 1161 1HD1 LEU 151 HD11 LEU 151 16.825 -17.691 -3.758 1162 2HD1 LEU 151 HD13 LEU 151 15.118 -17.739 -3.315 1163 3HD1 LEU 151 HD12 LEU 151 15.625 -18.244 -4.928 1164 1HD2 LEU 151 HD21 LEU 151 13.745 -15.738 -3.695 1165 2HD2 LEU 151 HD23 LEU 151 14.026 -14.822 -5.176 1166 3HD2 LEU 151 HD22 LEU 151 13.639 -16.541 -5.261 1167 H THR 152 HN THR 152 18.020 -11.753 -4.297 1168 HA THR 152 HA THR 152 17.644 -11.110 -1.447 1169 HB THR 152 HB THR 152 19.272 -9.651 -3.550 1170 HG1 THR 152 HG1 THR 152 19.675 -12.010 -2.859 1171 1HG2 THR 152 HG21 THR 152 19.108 -9.538 -0.541 1172 2HG2 THR 152 HG23 THR 152 20.543 -8.990 -1.407 1173 3HG2 THR 152 HG22 THR 152 18.988 -8.210 -1.694 1174 H HIS 153 HN HIS 153 16.602 -9.250 -0.685 1175 HA HIS 153 HA HIS 153 15.528 -7.271 -2.572 1176 1HB HIS 153 HB2 HIS 153 13.169 -7.635 -1.787 1177 2HB HIS 153 HB1 HIS 153 13.802 -8.972 -2.748 1178 HD1 HIS 153 HD1 HIS 153 14.952 -10.961 -1.178 1179 HD2 HIS 153 HD2 HIS 153 12.140 -8.473 0.633 1180 HE1 HIS 153 HE1 HIS 153 14.167 -12.165 0.907 1181 H THR 154 HN THR 154 14.391 -5.498 -1.360 1182 HA THR 154 HA THR 154 15.097 -5.407 1.534 1183 HB THR 154 HB THR 154 15.634 -3.122 -0.382 1184 HG1 THR 154 HG1 THR 154 16.961 -5.316 -0.229 1185 1HG2 THR 154 HG21 THR 154 15.971 -3.614 2.550 1186 2HG2 THR 154 HG23 THR 154 17.160 -2.605 1.727 1187 3HG2 THR 154 HG22 THR 154 15.456 -2.149 1.711 1188 H TYR 155 HN TYR 155 13.493 -4.490 2.756 1189 HA TYR 155 HA TYR 155 11.068 -3.558 1.339 1190 1HB TYR 155 HB2 TYR 155 11.614 -4.136 4.267 1191 2HB TYR 155 HB1 TYR 155 10.053 -3.621 3.629 1192 HD1 TYR 155 HD2 TYR 155 8.854 -5.063 1.954 1193 HD2 TYR 155 HD1 TYR 155 12.370 -6.393 4.033 1194 HE1 TYR 155 HE2 TYR 155 8.326 -7.409 1.347 1195 HE2 TYR 155 HE1 TYR 155 11.842 -8.739 3.427 1196 HH TYR 155 HH TYR 155 8.808 -9.597 1.880 1197 H GLU 156 HN GLU 156 11.548 -1.453 0.665 1198 HA GLU 156 HA GLU 156 12.744 0.481 2.516 1199 1HB GLU 156 HB2 GLU 156 11.738 0.570 -0.319 1200 2HB GLU 156 HB1 GLU 156 12.050 2.072 0.551 1201 1HG GLU 156 HG2 GLU 156 14.348 1.533 0.868 1202 2HG GLU 156 HG1 GLU 156 14.095 -0.148 0.400 1203 H VAL 157 HN VAL 157 11.637 1.993 3.715 1204 HA VAL 157 HA VAL 157 8.665 2.100 3.375 1205 HB VAL 157 HB VAL 157 10.180 2.282 5.997 1206 1HG1 VAL 157 HG13 VAL 157 7.243 2.193 5.259 1207 2HG1 VAL 157 HG12 VAL 157 7.835 1.929 6.899 1208 3HG1 VAL 157 HG11 VAL 157 8.097 3.482 6.107 1209 1HG2 VAL 157 HG21 VAL 157 8.927 -0.006 4.518 1210 2HG2 VAL 157 HG23 VAL 157 10.394 0.021 5.497 1211 3HG2 VAL 157 HG22 VAL 157 8.812 0.027 6.277 1212 H TRP 158 HN TRP 158 8.297 4.093 2.514 1213 HA TRP 158 HA TRP 158 9.908 6.398 3.511 1214 1HB TRP 158 HB2 TRP 158 8.155 6.090 1.054 1215 2HB TRP 158 HB1 TRP 158 8.979 7.582 1.510 1216 HD1 TRP 158 HD1 TRP 158 10.019 3.869 1.080 1217 HE1 TRP 158 HE1 TRP 158 12.293 3.817 -0.133 1218 HE3 TRP 158 HE3 TRP 158 10.842 8.879 0.534 1219 HZ2 TRP 158 HZ2 TRP 158 14.208 5.658 -1.195 1220 HZ3 TRP 158 HZ3 TRP 158 12.896 9.702 -0.581 1221 HH2 TRP 158 HH2 TRP 158 14.579 8.099 -1.445 1222 H GLN 159 HN GLN 159 8.585 8.497 3.668 1223 HA GLN 159 HA GLN 159 5.774 8.036 4.512 1224 1HB GLN 159 HB2 GLN 159 8.011 9.061 6.256 1225 2HB GLN 159 HB1 GLN 159 6.339 9.535 6.559 1226 1HG GLN 159 HG2 GLN 159 7.125 6.638 6.238 1227 2HG GLN 159 HG1 GLN 159 7.201 7.450 7.802 1228 1HE2 GLN 159 HE22 GLN 159 3.733 7.221 8.336 1229 2HE2 GLN 159 HE21 GLN 159 5.267 7.560 8.976 1230 H LYS 160 HN LYS 160 4.468 9.821 4.123 1231 HA LYS 160 HA LYS 160 5.623 11.962 2.486 1232 1HB LYS 160 HB2 LYS 160 3.321 10.825 2.164 1233 2HB LYS 160 HB1 LYS 160 2.779 11.852 3.492 1234 1HG LYS 160 HG2 LYS 160 3.639 13.841 2.217 1235 2HG LYS 160 HG1 LYS 160 3.968 12.766 0.859 1236 1HD LYS 160 HD2 LYS 160 1.693 12.323 0.488 1237 2HD LYS 160 HD1 LYS 160 1.234 12.824 2.116 1238 1HE LYS 160 HE2 LYS 160 2.053 15.169 1.441 1239 2HE LYS 160 HE1 LYS 160 2.033 14.568 -0.218 1240 1HZ LYS 160 HZ1 LYS 160 -0.340 14.072 1.400 1241 2HZ LYS 160 HZ3 LYS 160 -0.072 15.674 0.915 1242 3HZ LYS 160 HZ2 LYS 160 -0.208 14.447 -0.251 1243 H LYS 161 HN LYS 161 6.152 13.976 3.206 1244 HA LYS 161 HA LYS 161 5.039 14.946 5.779 1245 1HB LYS 161 HB2 LYS 161 7.324 15.607 6.547 1246 2HB LYS 161 HB1 LYS 161 7.121 13.858 6.439 1247 1HG LYS 161 HG2 LYS 161 9.141 14.096 5.330 1248 2HG LYS 161 HG1 LYS 161 8.030 14.248 3.971 1249 1HD LYS 161 HD2 LYS 161 8.332 16.540 3.797 1250 2HD LYS 161 HD1 LYS 161 8.761 16.717 5.499 1251 1HE LYS 161 HE2 LYS 161 10.833 16.988 4.443 1252 2HE LYS 161 HE1 LYS 161 10.848 15.274 4.857 1253 1HZ LYS 161 HZ3 LYS 161 9.607 15.845 2.326 1254 2HZ LYS 161 HZ2 LYS 161 11.248 16.281 2.385 1255 3HZ LYS 161 HZ1 LYS 161 10.778 14.684 2.722 1256 H ALA 162 HN ALA 162 6.067 17.307 6.110 1257 HA ALA 162 HA ALA 162 6.694 18.744 3.657 1258 1HB ALA 162 HB1 ALA 162 3.917 18.820 4.820 1259 2HB ALA 162 HB3 ALA 162 4.572 20.227 3.982 1260 3HB ALA 162 HB2 ALA 162 4.404 18.692 3.131 1261 1H9 TMQ 170 H91 TMQ 170 -0.587 -9.691 -6.401 1262 2H9 TMQ 170 H92 TMQ 170 -1.367 -10.530 -5.054 1263 HN1 TMQ 170 H1N TMQ 170 0.102 -11.729 -7.159 1264 1H17 TMQ 170 HM1 TMQ 170 -1.447 -8.016 -2.973 1265 2H17 TMQ 170 HM2 TMQ 170 -1.582 -8.526 -4.655 1266 3H17 TMQ 170 HM3 TMQ 170 -0.815 -6.988 -4.265 1267 1H21 TMQ 170 HW11 TMQ 170 -0.652 -12.469 -1.459 1268 2H21 TMQ 170 HW12 TMQ 170 -1.992 -13.192 -0.556 1269 3H21 TMQ 170 HW13 TMQ 170 -2.285 -12.468 -2.144 1270 1H22 TMQ 170 HI1 TMQ 170 2.179 -16.283 -3.046 1271 2H22 TMQ 170 HI2 TMQ 170 1.254 -15.552 -1.724 1272 3H22 TMQ 170 HI3 TMQ 170 1.391 -17.314 -1.840 1273 1H23 TMQ 170 HW21 TMQ 170 3.094 -15.170 -6.218 1274 2H23 TMQ 170 HW22 TMQ 170 2.014 -15.665 -7.531 1275 3H23 TMQ 170 HW23 TMQ 170 3.111 -16.844 -6.795 1276 1HN2 TMQ 170 HN21 TMQ 170 4.599 -6.346 0.111 1277 2HN2 TMQ 170 HN22 TMQ 170 5.516 -7.681 -0.504 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.476 -6.380 -2.404 1279 2HN5 TMQ 170 HN42 TMQ 170 0.395 -5.469 -1.249 1280 HN TMQ 170 H1 TMQ 170 4.590 -9.072 -2.067 1281 H7 TMQ 170 H7 TMQ 170 2.034 -11.424 -5.197 1282 H8 TMQ 170 H8 TMQ 170 3.830 -10.663 -3.709 1283 H12 TMQ 170 HP2 TMQ 170 -1.274 -12.093 -3.826 1284 H16 TMQ 170 HP6 TMQ 170 1.188 -13.880 -6.893 No H/Q in entry = 1284 Start of MODEL 12 1 1H THR 1 HT3 THR 1 -3.522 5.134 4.906 2 2H THR 1 HT2 THR 1 -2.990 6.370 3.867 3 3H THR 1 HT1 THR 1 -4.635 5.949 3.918 4 HA THR 1 HA THR 1 -4.160 3.783 2.995 5 HB THR 1 HB THR 1 -2.707 5.799 1.289 6 HG1 THR 1 HG1 THR 1 -5.463 5.682 1.934 7 1HG2 THR 1 HG21 THR 1 -4.552 3.456 0.850 8 2HG2 THR 1 HG23 THR 1 -4.288 4.661 -0.410 9 3HG2 THR 1 HG22 THR 1 -2.932 3.715 0.203 10 H ALA 2 HN ALA 2 -2.610 2.235 2.347 11 HA ALA 2 HA ALA 2 0.245 2.906 2.910 12 1HB ALA 2 HB2 ALA 2 -0.906 1.624 4.803 13 2HB ALA 2 HB1 ALA 2 -1.028 0.272 3.678 14 3HB ALA 2 HB3 ALA 2 0.557 0.887 4.148 15 H PHE 3 HN PHE 3 0.797 2.937 0.710 16 HA PHE 3 HA PHE 3 -0.072 0.945 -1.185 17 1HB PHE 3 HB2 PHE 3 2.078 3.049 -1.148 18 2HB PHE 3 HB1 PHE 3 2.049 1.850 -2.440 19 HD1 PHE 3 HD2 PHE 3 -0.585 3.778 -0.575 20 HD2 PHE 3 HD1 PHE 3 1.072 2.672 -4.380 21 HE1 PHE 3 HE2 PHE 3 -2.374 5.052 -1.724 22 HE2 PHE 3 HE1 PHE 3 -0.718 3.947 -5.529 23 HZ PHE 3 HZ PHE 3 -2.440 5.137 -4.202 24 H LEU 4 HN LEU 4 0.797 -1.041 -1.634 25 HA LEU 4 HA LEU 4 3.509 -1.721 -0.664 26 1HB LEU 4 HB2 LEU 4 1.939 -2.275 1.204 27 2HB LEU 4 HB1 LEU 4 1.070 -3.353 0.110 28 HG LEU 4 HG LEU 4 3.400 -4.442 -0.296 29 1HD1 LEU 4 HD12 LEU 4 3.841 -2.776 2.180 30 2HD1 LEU 4 HD11 LEU 4 4.746 -4.266 1.910 31 3HD1 LEU 4 HD13 LEU 4 4.878 -2.934 0.762 32 1HD2 LEU 4 HD21 LEU 4 1.668 -4.680 2.155 33 2HD2 LEU 4 HD23 LEU 4 1.812 -5.786 0.788 34 3HD2 LEU 4 HD22 LEU 4 3.101 -5.694 1.988 35 H TRP 5 HN TRP 5 4.415 -2.496 -2.512 36 HA TRP 5 HA TRP 5 2.979 -4.633 -3.982 37 1HB TRP 5 HB2 TRP 5 3.426 -3.584 -6.157 38 2HB TRP 5 HB1 TRP 5 2.439 -2.520 -5.161 39 HD1 TRP 5 HD1 TRP 5 5.526 -2.572 -7.157 40 HE1 TRP 5 HE1 TRP 5 6.921 -0.443 -6.754 41 HE3 TRP 5 HE3 TRP 5 3.156 -0.727 -3.022 42 HZ2 TRP 5 HZ2 TRP 5 7.020 1.750 -4.924 43 HZ3 TRP 5 HZ3 TRP 5 3.925 1.381 -1.971 44 HH2 TRP 5 HH2 TRP 5 5.851 2.622 -2.916 45 H ALA 6 HN ALA 6 4.382 -6.123 -4.976 46 HA ALA 6 HA ALA 6 7.230 -5.880 -4.147 47 1HB ALA 6 HB2 ALA 6 5.554 -8.228 -5.074 48 2HB ALA 6 HB1 ALA 6 7.293 -8.331 -4.796 49 3HB ALA 6 HB3 ALA 6 6.208 -7.950 -3.460 50 H GLN 7 HN GLN 7 8.396 -4.832 -5.705 51 HA GLN 7 HA GLN 7 8.075 -5.785 -8.522 52 1HB GLN 7 HB2 GLN 7 8.695 -3.460 -9.231 53 2HB GLN 7 HB1 GLN 7 7.150 -3.540 -8.380 54 1HG GLN 7 HG2 GLN 7 8.108 -2.705 -6.360 55 2HG GLN 7 HG1 GLN 7 9.750 -2.938 -6.959 56 1HE2 GLN 7 HE22 GLN 7 9.830 0.364 -8.155 57 2HE2 GLN 7 HE21 GLN 7 10.642 -0.916 -7.391 58 H ASP 8 HN ASP 8 10.064 -5.652 -9.801 59 HA ASP 8 HA ASP 8 12.468 -6.067 -8.102 60 1HB ASP 8 HB2 ASP 8 13.455 -6.977 -10.246 61 2HB ASP 8 HB1 ASP 8 12.054 -7.868 -9.655 62 H ARG 9 HN ARG 9 14.574 -5.237 -9.149 63 HA ARG 9 HA ARG 9 14.481 -2.395 -9.340 64 1HB ARG 9 HB2 ARG 9 16.854 -2.609 -10.132 65 2HB ARG 9 HB1 ARG 9 16.522 -3.519 -8.658 66 1HG ARG 9 HG2 ARG 9 16.472 -5.585 -9.802 67 2HG ARG 9 HG1 ARG 9 16.277 -4.808 -11.374 68 1HD ARG 9 HD2 ARG 9 18.610 -3.708 -10.738 69 2HD ARG 9 HD1 ARG 9 18.747 -5.138 -9.715 70 HE ARG 9 HE ARG 9 18.866 -6.491 -11.674 71 1HH1 ARG 9 HH21 ARG 9 18.101 -3.181 -12.402 72 2HH1 ARG 9 HH22 ARG 9 18.361 -3.371 -14.104 73 1HH2 ARG 9 HH11 ARG 9 19.200 -6.725 -13.884 74 2HH2 ARG 9 HH12 ARG 9 18.981 -5.368 -14.938 75 H ASP 10 HN ASP 10 13.883 -4.824 -11.707 76 HA ASP 10 HA ASP 10 14.581 -3.215 -14.034 77 1HB ASP 10 HB2 ASP 10 12.934 -5.734 -13.693 78 2HB ASP 10 HB1 ASP 10 13.251 -4.988 -15.260 79 H GLY 11 HN GLY 11 12.458 -2.414 -11.838 80 1HA GLY 11 HA2 GLY 11 10.512 -1.104 -11.834 81 2HA GLY 11 HA1 GLY 11 10.837 -0.792 -13.540 82 H LEU 12 HN LEU 12 10.245 -3.946 -12.024 83 HA LEU 12 HA LEU 12 7.706 -4.129 -13.599 84 1HB LEU 12 HB2 LEU 12 9.697 -5.465 -14.513 85 2HB LEU 12 HB1 LEU 12 9.549 -6.465 -13.068 86 HG LEU 12 HG LEU 12 7.004 -6.562 -13.781 87 1HD1 LEU 12 HD13 LEU 12 7.466 -4.922 -15.674 88 2HD1 LEU 12 HD12 LEU 12 8.357 -6.222 -16.467 89 3HD1 LEU 12 HD11 LEU 12 6.633 -6.404 -16.144 90 1HD2 LEU 12 HD23 LEU 12 8.801 -8.410 -13.695 91 2HD2 LEU 12 HD22 LEU 12 7.438 -8.673 -14.784 92 3HD2 LEU 12 HD21 LEU 12 8.990 -8.136 -15.428 93 H ILE 13 HN ILE 13 6.039 -5.405 -12.611 94 HA ILE 13 HA ILE 13 6.446 -5.819 -9.676 95 HB ILE 13 HB ILE 13 3.950 -5.597 -9.533 96 1HG1 ILE 13 HG12 ILE 13 4.203 -4.707 -12.424 97 2HG1 ILE 13 HG11 ILE 13 3.545 -6.266 -11.923 98 1HG2 ILE 13 HG22 ILE 13 5.629 -3.368 -10.692 99 2HG2 ILE 13 HG21 ILE 13 3.965 -3.103 -10.173 100 3HG2 ILE 13 HG23 ILE 13 5.178 -3.633 -9.008 101 1HD1 ILE 13 HD11 ILE 13 2.417 -3.809 -10.650 102 2HD1 ILE 13 HD13 ILE 13 1.961 -4.153 -12.318 103 3HD1 ILE 13 HD12 ILE 13 1.622 -5.331 -11.051 104 H GLY 14 HN GLY 14 5.274 -7.263 -12.666 105 1HA GLY 14 HA2 GLY 14 5.836 -9.903 -12.090 106 2HA GLY 14 HA1 GLY 14 4.241 -9.665 -11.375 107 H LYS 15 HN LYS 15 3.230 -11.069 -12.898 108 HA LYS 15 HA LYS 15 2.339 -9.784 -15.329 109 1HB LYS 15 HB2 LYS 15 4.641 -10.562 -15.998 110 2HB LYS 15 HB1 LYS 15 4.111 -12.217 -15.691 111 1HG LYS 15 HG2 LYS 15 2.171 -11.723 -17.300 112 2HG LYS 15 HG1 LYS 15 3.081 -10.288 -17.774 113 1HD LYS 15 HD2 LYS 15 3.915 -11.802 -19.313 114 2HD LYS 15 HD1 LYS 15 5.063 -12.052 -17.996 115 1HE LYS 15 HE2 LYS 15 2.522 -13.658 -18.092 116 2HE LYS 15 HE1 LYS 15 3.905 -14.134 -19.079 117 1HZ LYS 15 HZ2 LYS 15 5.220 -13.903 -16.920 118 2HZ LYS 15 HZ1 LYS 15 3.711 -13.955 -16.140 119 3HZ LYS 15 HZ3 LYS 15 4.217 -15.263 -17.093 120 H ASP 16 HN ASP 16 0.542 -10.888 -16.211 121 HA ASP 16 HA ASP 16 -1.305 -12.328 -16.178 122 1HB ASP 16 HB2 ASP 16 1.028 -14.059 -15.582 123 2HB ASP 16 HB1 ASP 16 -0.546 -14.724 -15.145 124 H GLY 17 HN GLY 17 -0.045 -10.984 -13.533 125 1HA GLY 17 HA2 GLY 17 -1.370 -10.500 -11.570 126 2HA GLY 17 HA1 GLY 17 -2.232 -12.021 -11.810 127 H HIS 18 HN HIS 18 -0.200 -13.858 -12.009 128 HA HIS 18 HA HIS 18 0.638 -14.117 -9.249 129 1HB HIS 18 HB2 HIS 18 1.843 -16.151 -10.088 130 2HB HIS 18 HB1 HIS 18 0.138 -16.116 -10.537 131 HD1 HIS 18 HD1 HIS 18 3.530 -15.211 -12.024 132 HD2 HIS 18 HD2 HIS 18 -0.294 -16.312 -13.267 133 HE1 HIS 18 HE1 HIS 18 3.649 -15.502 -14.536 134 H LEU 19 HN LEU 19 2.986 -14.507 -8.673 135 HA LEU 19 HA LEU 19 4.603 -12.297 -9.753 136 1HB LEU 19 HB2 LEU 19 4.745 -14.101 -7.370 137 2HB LEU 19 HB1 LEU 19 6.235 -13.340 -7.929 138 HG LEU 19 HG LEU 19 3.671 -11.835 -7.336 139 1HD1 LEU 19 HD13 LEU 19 6.171 -12.292 -5.687 140 2HD1 LEU 19 HD12 LEU 19 5.016 -11.003 -5.350 141 3HD1 LEU 19 HD11 LEU 19 4.510 -12.690 -5.249 142 1HD2 LEU 19 HD22 LEU 19 6.420 -11.106 -8.286 143 2HD2 LEU 19 HD21 LEU 19 4.858 -10.462 -8.790 144 3HD2 LEU 19 HD23 LEU 19 5.559 -9.971 -7.248 145 HA PRO 20 HA PRO 20 7.086 -14.978 -12.332 146 1HB PRO 20 HB2 PRO 20 9.197 -13.217 -12.704 147 2HB PRO 20 HB1 PRO 20 7.684 -13.195 -13.622 148 1HG PRO 20 HG2 PRO 20 8.653 -11.280 -11.690 149 2HG PRO 20 HG1 PRO 20 7.231 -11.180 -12.737 150 1HD PRO 20 HD2 PRO 20 7.358 -11.811 -9.904 151 2HD PRO 20 HD1 PRO 20 5.937 -11.502 -10.914 152 H TRP 21 HN TRP 21 8.484 -13.392 -9.507 153 HA TRP 21 HA TRP 21 10.676 -15.406 -9.434 154 1HB TRP 21 HB2 TRP 21 11.602 -13.943 -7.622 155 2HB TRP 21 HB1 TRP 21 11.412 -13.102 -9.160 156 HD1 TRP 21 HD1 TRP 21 9.665 -13.502 -5.754 157 HE1 TRP 21 HE1 TRP 21 8.243 -11.396 -5.316 158 HE3 TRP 21 HE3 TRP 21 10.288 -11.073 -10.205 159 HZ2 TRP 21 HZ2 TRP 21 7.473 -8.999 -6.673 160 HZ3 TRP 21 HZ3 TRP 21 9.198 -8.882 -10.604 161 HH2 TRP 21 HH2 TRP 21 7.794 -7.844 -8.845 162 H HIS 22 HN HIS 22 11.072 -16.541 -7.394 163 HA HIS 22 HA HIS 22 8.534 -17.037 -5.903 164 1HB HIS 22 HB2 HIS 22 9.762 -18.934 -7.137 165 2HB HIS 22 HB1 HIS 22 10.990 -18.798 -5.879 166 HD1 HIS 22 HD1 HIS 22 7.163 -18.852 -5.816 167 HD2 HIS 22 HD2 HIS 22 10.415 -20.648 -3.924 168 HE1 HIS 22 HE1 HIS 22 6.202 -20.419 -4.073 169 H LEU 23 HN LEU 23 8.639 -15.506 -4.256 170 HA LEU 23 HA LEU 23 11.029 -15.676 -2.461 171 1HB LEU 23 HB2 LEU 23 10.597 -13.469 -3.747 172 2HB LEU 23 HB1 LEU 23 9.231 -13.260 -2.653 173 HG LEU 23 HG LEU 23 10.795 -13.536 -0.720 174 1HD1 LEU 23 HD13 LEU 23 12.760 -13.752 -2.993 175 2HD1 LEU 23 HD12 LEU 23 13.276 -13.129 -1.426 176 3HD1 LEU 23 HD11 LEU 23 12.619 -14.762 -1.553 177 1HD2 LEU 23 HD23 LEU 23 10.266 -11.303 -2.163 178 2HD2 LEU 23 HD22 LEU 23 11.277 -11.293 -0.719 179 3HD2 LEU 23 HD21 LEU 23 12.022 -11.347 -2.317 180 HA PRO 24 HA PRO 24 7.350 -17.585 -0.263 181 1HB PRO 24 HB2 PRO 24 9.423 -18.511 1.566 182 2HB PRO 24 HB1 PRO 24 8.303 -19.457 0.578 183 1HG PRO 24 HG2 PRO 24 11.085 -18.959 0.120 184 2HG PRO 24 HG1 PRO 24 9.970 -19.937 -0.843 185 1HD PRO 24 HD2 PRO 24 11.122 -17.498 -1.616 186 2HD PRO 24 HD1 PRO 24 9.770 -18.319 -2.413 187 H ASP 25 HN ASP 25 10.172 -15.839 1.021 188 HA ASP 25 HA ASP 25 9.051 -15.163 3.563 189 1HB ASP 25 HB2 ASP 25 11.492 -14.867 2.579 190 2HB ASP 25 HB1 ASP 25 10.889 -13.269 2.138 191 H ASP 26 HN ASP 26 8.987 -13.480 0.425 192 HA ASP 26 HA ASP 26 7.555 -11.170 1.382 193 1HB ASP 26 HB2 ASP 26 8.841 -11.260 -0.769 194 2HB ASP 26 HB1 ASP 26 7.592 -12.318 -1.427 195 H LEU 27 HN LEU 27 6.580 -14.357 0.280 196 HA LEU 27 HA LEU 27 3.773 -13.701 -0.067 197 1HB LEU 27 HB2 LEU 27 5.148 -16.369 0.377 198 2HB LEU 27 HB1 LEU 27 3.463 -16.167 -0.107 199 HG LEU 27 HG LEU 27 5.826 -15.088 -1.671 200 1HD1 LEU 27 HD11 LEU 27 4.371 -17.697 -1.726 201 2HD1 LEU 27 HD13 LEU 27 4.824 -16.979 -3.273 202 3HD1 LEU 27 HD12 LEU 27 6.064 -17.349 -2.074 203 1HD2 LEU 27 HD21 LEU 27 2.838 -15.139 -2.057 204 2HD2 LEU 27 HD23 LEU 27 3.954 -13.786 -2.247 205 3HD2 LEU 27 HD22 LEU 27 3.914 -15.073 -3.453 206 H HIS 28 HN HIS 28 5.802 -14.572 2.630 207 HA HIS 28 HA HIS 28 3.533 -15.246 4.376 208 1HB HIS 28 HB2 HIS 28 6.514 -14.985 4.804 209 2HB HIS 28 HB1 HIS 28 5.399 -15.232 6.148 210 HD1 HIS 28 HD1 HIS 28 3.440 -17.234 4.982 211 HD2 HIS 28 HD2 HIS 28 7.557 -17.519 4.388 212 HE1 HIS 28 HE1 HIS 28 3.917 -19.656 4.417 213 H TYR 29 HN TYR 29 5.573 -12.485 3.649 214 HA TYR 29 HA TYR 29 4.826 -10.911 5.960 215 1HB TYR 29 HB2 TYR 29 6.832 -10.557 4.380 216 2HB TYR 29 HB1 TYR 29 5.681 -9.788 3.289 217 HD1 TYR 29 HD1 TYR 29 6.388 -9.761 6.982 218 HD2 TYR 29 HD2 TYR 29 5.597 -7.472 3.434 219 HE1 TYR 29 HE1 TYR 29 6.534 -7.667 8.300 220 HE2 TYR 29 HE2 TYR 29 5.743 -5.376 4.753 221 HH TYR 29 HH TYR 29 6.804 -4.613 6.874 222 H PHE 30 HN PHE 30 3.383 -11.536 2.839 223 HA PHE 30 HA PHE 30 1.616 -9.280 2.733 224 1HB PHE 30 HB2 PHE 30 2.132 -10.874 0.831 225 2HB PHE 30 HB1 PHE 30 1.074 -12.045 1.620 226 HD1 PHE 30 HD1 PHE 30 1.164 -8.568 0.258 227 HD2 PHE 30 HD2 PHE 30 -1.270 -11.935 1.349 228 HE1 PHE 30 HE1 PHE 30 -0.814 -7.466 -0.753 229 HE2 PHE 30 HE2 PHE 30 -3.247 -10.833 0.337 230 HZ PHE 30 HZ PHE 30 -3.020 -8.599 -0.714 231 H ARG 31 HN ARG 31 1.192 -12.583 4.015 232 HA ARG 31 HA ARG 31 -1.520 -12.200 4.885 233 1HB ARG 31 HB2 ARG 31 -0.230 -14.411 4.612 234 2HB ARG 31 HB1 ARG 31 0.462 -14.065 6.196 235 1HG ARG 31 HG2 ARG 31 -1.740 -14.002 7.209 236 2HG ARG 31 HG1 ARG 31 -2.514 -14.156 5.632 237 1HD ARG 31 HD2 ARG 31 -1.460 -16.377 5.341 238 2HD ARG 31 HD1 ARG 31 -0.723 -16.227 6.936 239 HE ARG 31 HE ARG 31 -3.492 -15.844 7.298 240 1HH1 ARG 31 HH11 ARG 31 -1.324 -18.320 6.185 241 2HH1 ARG 31 HH12 ARG 31 -2.352 -19.616 6.696 242 1HH2 ARG 31 HH21 ARG 31 -4.818 -17.536 7.955 243 2HH2 ARG 31 HH22 ARG 31 -4.321 -19.174 7.692 244 H ALA 32 HN ALA 32 1.601 -11.459 6.314 245 HA ALA 32 HA ALA 32 0.541 -10.945 8.981 246 1HB ALA 32 HB3 ALA 32 2.949 -11.563 8.438 247 2HB ALA 32 HB2 ALA 32 3.142 -9.924 7.816 248 3HB ALA 32 HB1 ALA 32 2.752 -10.180 9.516 249 H GLN 33 HN GLN 33 1.129 -9.066 6.066 250 HA GLN 33 HA GLN 33 0.402 -6.556 7.479 251 1HB GLN 33 HB2 GLN 33 1.498 -7.151 4.724 252 2HB GLN 33 HB1 GLN 33 0.912 -5.550 5.178 253 1HG GLN 33 HG2 GLN 33 2.981 -7.042 6.803 254 2HG GLN 33 HG1 GLN 33 3.417 -5.945 5.491 255 1HE2 GLN 33 HE22 GLN 33 2.775 -3.023 7.371 256 2HE2 GLN 33 HE21 GLN 33 3.256 -3.677 5.881 257 H THR 34 HN THR 34 -1.571 -8.690 7.023 258 HA THR 34 HA THR 34 -3.530 -7.085 5.453 259 HB THR 34 HB THR 34 -4.444 -9.333 4.614 260 HG1 THR 34 HG1 THR 34 -2.356 -10.735 4.477 261 1HG2 THR 34 HG21 THR 34 -1.783 -8.207 3.729 262 2HG2 THR 34 HG23 THR 34 -2.620 -9.471 2.829 263 3HG2 THR 34 HG22 THR 34 -3.378 -7.893 3.042 264 H VAL 35 HN VAL 35 -2.899 -9.557 7.895 265 HA VAL 35 HA VAL 35 -5.639 -9.857 8.749 266 HB VAL 35 HB VAL 35 -4.607 -10.850 10.808 267 1HG1 VAL 35 HG13 VAL 35 -3.601 -11.700 8.083 268 2HG1 VAL 35 HG12 VAL 35 -3.346 -12.665 9.536 269 3HG1 VAL 35 HG11 VAL 35 -4.985 -12.340 8.970 270 1HG2 VAL 35 HG22 VAL 35 -2.080 -9.905 9.428 271 2HG2 VAL 35 HG21 VAL 35 -2.636 -9.487 11.048 272 3HG2 VAL 35 HG23 VAL 35 -2.083 -11.125 10.701 273 H GLY 36 HN GLY 36 -6.836 -8.447 9.922 274 1HA GLY 36 HA2 GLY 36 -7.326 -6.828 11.585 275 2HA GLY 36 HA1 GLY 36 -5.603 -6.730 11.954 276 H LYS 37 HN LYS 37 -6.992 -6.368 8.729 277 HA LYS 37 HA LYS 37 -6.706 -3.435 8.815 278 1HB LYS 37 HB2 LYS 37 -4.925 -5.236 7.159 279 2HB LYS 37 HB1 LYS 37 -5.204 -3.545 6.739 280 1HG LYS 37 HG2 LYS 37 -4.542 -3.048 9.201 281 2HG LYS 37 HG1 LYS 37 -3.861 -4.675 9.190 282 1HD LYS 37 HD2 LYS 37 -2.589 -4.020 7.096 283 2HD LYS 37 HD1 LYS 37 -3.117 -2.361 7.384 284 1HE LYS 37 HE2 LYS 37 -1.528 -4.061 9.329 285 2HE LYS 37 HE1 LYS 37 -0.877 -2.751 8.344 286 1HZ LYS 37 HZ3 LYS 37 -2.675 -1.343 9.442 287 2HZ LYS 37 HZ2 LYS 37 -2.795 -2.595 10.584 288 3HZ LYS 37 HZ1 LYS 37 -1.328 -1.764 10.381 289 H ILE 38 HN ILE 38 -7.213 -2.575 6.477 290 HA ILE 38 HA ILE 38 -9.557 -4.130 5.494 291 HB ILE 38 HB ILE 38 -8.810 -1.246 4.925 292 1HG1 ILE 38 HG12 ILE 38 -10.862 -2.318 6.885 293 2HG1 ILE 38 HG11 ILE 38 -9.256 -1.759 7.358 294 1HG2 ILE 38 HG22 ILE 38 -11.184 -3.002 4.333 295 2HG2 ILE 38 HG21 ILE 38 -11.381 -1.256 4.476 296 3HG2 ILE 38 HG23 ILE 38 -10.309 -1.924 3.246 297 1HD1 ILE 38 HD13 ILE 38 -9.889 0.409 6.052 298 2HD1 ILE 38 HD12 ILE 38 -11.547 -0.168 6.224 299 3HD1 ILE 38 HD11 ILE 38 -10.574 0.161 7.658 300 H MET 39 HN MET 39 -8.725 -5.548 3.976 301 HA MET 39 HA MET 39 -6.612 -4.838 2.128 302 1HB MET 39 HB2 MET 39 -7.293 -7.194 2.904 303 2HB MET 39 HB1 MET 39 -8.612 -7.071 1.738 304 1HG MET 39 HG2 MET 39 -5.849 -6.398 0.812 305 2HG MET 39 HG1 MET 39 -6.259 -8.098 1.037 306 1HE MET 39 HE3 MET 39 -7.674 -9.340 0.134 307 2HE MET 39 HE2 MET 39 -9.265 -8.727 -0.312 308 3HE MET 39 HE1 MET 39 -8.152 -9.264 -1.568 309 H VAL 40 HN VAL 40 -6.790 -3.854 0.163 310 HA VAL 40 HA VAL 40 -9.490 -3.661 -1.092 311 HB VAL 40 HB VAL 40 -7.535 -1.354 -0.861 312 1HG1 VAL 40 HG11 VAL 40 -9.059 -1.430 -2.867 313 2HG1 VAL 40 HG13 VAL 40 -10.431 -1.412 -1.759 314 3HG1 VAL 40 HG12 VAL 40 -9.326 -0.036 -1.820 315 1HG2 VAL 40 HG22 VAL 40 -9.918 -2.183 0.776 316 2HG2 VAL 40 HG21 VAL 40 -8.368 -1.538 1.318 317 3HG2 VAL 40 HG23 VAL 40 -9.556 -0.470 0.570 318 H VAL 41 HN VAL 41 -9.310 -4.540 -3.087 319 HA VAL 41 HA VAL 41 -6.845 -3.972 -4.668 320 HB VAL 41 HB VAL 41 -6.973 -6.318 -5.551 321 1HG1 VAL 41 HG13 VAL 41 -6.410 -5.655 -2.684 322 2HG1 VAL 41 HG12 VAL 41 -6.326 -7.342 -3.191 323 3HG1 VAL 41 HG11 VAL 41 -5.293 -6.138 -3.960 324 1HG2 VAL 41 HG21 VAL 41 -9.421 -6.557 -4.834 325 2HG2 VAL 41 HG23 VAL 41 -8.378 -7.940 -4.496 326 3HG2 VAL 41 HG22 VAL 41 -8.812 -6.824 -3.200 327 H GLY 42 HN GLY 42 -7.462 -5.081 -7.038 328 1HA GLY 42 HA2 GLY 42 -9.943 -3.630 -7.820 329 2HA GLY 42 HA1 GLY 42 -8.627 -4.058 -8.915 330 H ARG 43 HN ARG 43 -10.739 -4.845 -10.072 331 HA ARG 43 HA ARG 43 -11.891 -7.343 -9.115 332 1HB ARG 43 HB2 ARG 43 -12.991 -5.605 -10.672 333 2HB ARG 43 HB1 ARG 43 -12.015 -6.321 -11.955 334 1HG ARG 43 HG2 ARG 43 -12.987 -8.535 -11.469 335 2HG ARG 43 HG1 ARG 43 -13.964 -7.824 -10.184 336 1HD ARG 43 HD2 ARG 43 -15.350 -6.698 -11.668 337 2HD ARG 43 HD1 ARG 43 -14.121 -6.640 -12.932 338 HE ARG 43 HE ARG 43 -16.060 -8.749 -12.567 339 1HH1 ARG 43 HH11 ARG 43 -12.778 -8.091 -13.499 340 2HH1 ARG 43 HH12 ARG 43 -12.660 -9.488 -14.514 341 1HH2 ARG 43 HH21 ARG 43 -15.894 -10.561 -13.888 342 2HH2 ARG 43 HH22 ARG 43 -14.417 -10.879 -14.734 343 H ARG 44 HN ARG 44 -9.357 -6.416 -11.397 344 HA ARG 44 HA ARG 44 -8.971 -9.054 -12.506 345 1HB ARG 44 HB2 ARG 44 -8.147 -6.731 -13.381 346 2HB ARG 44 HB1 ARG 44 -6.773 -7.007 -12.310 347 1HG ARG 44 HG2 ARG 44 -6.509 -9.278 -13.421 348 2HG ARG 44 HG1 ARG 44 -7.686 -8.737 -14.619 349 1HD ARG 44 HD2 ARG 44 -5.115 -7.269 -13.965 350 2HD ARG 44 HD1 ARG 44 -5.320 -8.357 -15.338 351 HE ARG 44 HE ARG 44 -6.280 -5.631 -15.186 352 1HH1 ARG 44 HH11 ARG 44 -6.976 -8.799 -16.430 353 2HH1 ARG 44 HH12 ARG 44 -7.917 -8.201 -17.757 354 1HH2 ARG 44 HH21 ARG 44 -7.501 -4.867 -16.912 355 2HH2 ARG 44 HH22 ARG 44 -8.212 -5.986 -18.026 356 H THR 45 HN THR 45 -7.512 -7.280 -9.799 357 HA THR 45 HA THR 45 -5.604 -9.394 -9.184 358 HB THR 45 HB THR 45 -6.550 -7.202 -7.323 359 HG1 THR 45 HG1 THR 45 -5.367 -6.983 -9.699 360 1HG2 THR 45 HG22 THR 45 -3.966 -8.761 -7.602 361 2HG2 THR 45 HG21 THR 45 -4.209 -7.417 -6.486 362 3HG2 THR 45 HG23 THR 45 -5.141 -8.902 -6.294 363 H TYR 46 HN TYR 46 -8.896 -8.627 -8.296 364 HA TYR 46 HA TYR 46 -9.087 -10.193 -5.908 365 1HB TYR 46 HB2 TYR 46 -10.794 -8.522 -6.796 366 2HB TYR 46 HB1 TYR 46 -11.306 -9.777 -7.926 367 HD1 TYR 46 HD1 TYR 46 -10.500 -9.453 -4.268 368 HD2 TYR 46 HD2 TYR 46 -13.091 -11.111 -7.267 369 HE1 TYR 46 HE1 TYR 46 -11.892 -10.484 -2.494 370 HE2 TYR 46 HE2 TYR 46 -14.483 -12.143 -5.492 371 HH TYR 46 HH TYR 46 -13.856 -11.509 -2.065 372 H GLU 47 HN GLU 47 -9.512 -11.011 -9.338 373 HA GLU 47 HA GLU 47 -10.136 -13.816 -8.680 374 1HB GLU 47 HB2 GLU 47 -9.733 -12.408 -11.338 375 2HB GLU 47 HB1 GLU 47 -10.236 -14.090 -11.156 376 1HG GLU 47 HG2 GLU 47 -12.173 -13.231 -9.743 377 2HG GLU 47 HG1 GLU 47 -11.734 -11.610 -10.282 378 H SER 48 HN SER 48 -7.382 -11.874 -9.518 379 HA SER 48 HA SER 48 -5.682 -13.896 -10.610 380 1HB SER 48 HB2 SER 48 -5.100 -11.345 -9.095 381 2HB SER 48 HB1 SER 48 -3.823 -12.375 -9.733 382 HG SER 48 HG SER 48 -5.923 -11.689 -11.435 383 H PHE 49 HN PHE 49 -6.755 -13.264 -7.369 384 HA PHE 49 HA PHE 49 -4.637 -14.494 -5.901 385 1HB PHE 49 HB2 PHE 49 -7.594 -14.183 -5.338 386 2HB PHE 49 HB1 PHE 49 -6.483 -14.920 -4.183 387 HD1 PHE 49 HD2 PHE 49 -4.099 -13.433 -4.171 388 HD2 PHE 49 HD1 PHE 49 -8.089 -11.974 -4.808 389 HE1 PHE 49 HE2 PHE 49 -3.397 -11.180 -3.410 390 HE2 PHE 49 HE1 PHE 49 -7.387 -9.721 -4.045 391 HZ PHE 49 HZ PHE 49 -5.040 -9.324 -3.346 392 HA PRO 50 HA PRO 50 -5.283 -18.833 -6.648 393 1HB PRO 50 HB2 PRO 50 -4.506 -19.800 -4.137 394 2HB PRO 50 HB1 PRO 50 -3.424 -19.420 -5.482 395 1HG PRO 50 HG2 PRO 50 -3.671 -18.062 -2.975 396 2HG PRO 50 HG1 PRO 50 -2.575 -17.702 -4.315 397 1HD PRO 50 HD2 PRO 50 -5.044 -16.342 -3.545 398 2HD PRO 50 HD1 PRO 50 -3.773 -15.809 -4.656 399 H LYS 51 HN LYS 51 -6.053 -18.587 -3.170 400 HA LYS 51 HA LYS 51 -8.668 -19.907 -3.760 401 1HB LYS 51 HB2 LYS 51 -6.892 -19.894 -1.311 402 2HB LYS 51 HB1 LYS 51 -8.568 -20.442 -1.251 403 1HG LYS 51 HG2 LYS 51 -8.158 -22.237 -2.733 404 2HG LYS 51 HG1 LYS 51 -6.639 -21.539 -3.295 405 1HD LYS 51 HD2 LYS 51 -5.513 -22.076 -1.286 406 2HD LYS 51 HD1 LYS 51 -7.023 -22.337 -0.411 407 1HE LYS 51 HE2 LYS 51 -5.988 -24.062 -2.682 408 2HE LYS 51 HE1 LYS 51 -5.942 -24.487 -0.970 409 1HZ LYS 51 HZ3 LYS 51 -8.473 -23.993 -1.115 410 2HZ LYS 51 HZ2 LYS 51 -8.251 -24.282 -2.775 411 3HZ LYS 51 HZ1 LYS 51 -7.873 -25.489 -1.641 412 H ARG 52 HN ARG 52 -9.826 -17.968 -4.208 413 HA ARG 52 HA ARG 52 -9.903 -15.884 -2.101 414 1HB ARG 52 HB2 ARG 52 -11.372 -14.685 -3.744 415 2HB ARG 52 HB1 ARG 52 -9.782 -15.084 -4.396 416 1HG ARG 52 HG2 ARG 52 -10.683 -17.019 -5.557 417 2HG ARG 52 HG1 ARG 52 -12.261 -16.781 -4.803 418 1HD ARG 52 HD2 ARG 52 -12.714 -14.852 -6.061 419 2HD ARG 52 HD1 ARG 52 -11.011 -14.576 -6.427 420 HE ARG 52 HE ARG 52 -11.234 -16.025 -8.271 421 1HH1 ARG 52 HH11 ARG 52 -13.843 -16.483 -6.023 422 2HH1 ARG 52 HH12 ARG 52 -14.704 -17.571 -7.061 423 1HH2 ARG 52 HH21 ARG 52 -12.362 -17.436 -9.610 424 2HH2 ARG 52 HH22 ARG 52 -13.869 -18.107 -9.081 425 HA PRO 53 HA PRO 53 -11.472 -14.165 -1.819 426 1HB PRO 53 HB2 PRO 53 -12.846 -13.517 0.539 427 2HB PRO 53 HB1 PRO 53 -13.385 -13.171 -1.110 428 1HG PRO 53 HG2 PRO 53 -14.519 -15.005 0.768 429 2HG PRO 53 HG1 PRO 53 -15.058 -14.649 -0.878 430 1HD PRO 53 HD2 PRO 53 -13.558 -16.958 0.110 431 2HD PRO 53 HD1 PRO 53 -14.399 -16.746 -1.434 432 H LEU 54 HN LEU 54 -10.692 -12.915 0.393 433 HA LEU 54 HA LEU 54 -8.861 -14.857 1.720 434 1HB LEU 54 HB2 LEU 54 -8.695 -11.840 1.459 435 2HB LEU 54 HB1 LEU 54 -7.502 -12.855 2.271 436 HG LEU 54 HG LEU 54 -8.305 -13.163 -0.636 437 1HD1 LEU 54 HD13 LEU 54 -6.218 -11.525 0.734 438 2HD1 LEU 54 HD12 LEU 54 -5.758 -12.343 -0.758 439 3HD1 LEU 54 HD11 LEU 54 -7.101 -11.200 -0.758 440 1HD2 LEU 54 HD22 LEU 54 -6.182 -14.423 1.120 441 2HD2 LEU 54 HD21 LEU 54 -7.480 -15.239 0.247 442 3HD2 LEU 54 HD23 LEU 54 -6.141 -14.509 -0.641 443 HA PRO 55 HA PRO 55 -11.651 -14.006 5.243 444 1HB PRO 55 HB2 PRO 55 -10.692 -16.262 6.642 445 2HB PRO 55 HB1 PRO 55 -12.172 -16.165 5.678 446 1HG PRO 55 HG2 PRO 55 -9.797 -17.638 5.108 447 2HG PRO 55 HG1 PRO 55 -11.271 -17.522 4.136 448 1HD PRO 55 HD2 PRO 55 -8.692 -16.228 3.714 449 2HD PRO 55 HD1 PRO 55 -10.072 -16.359 2.612 450 H GLU 56 HN GLU 56 -11.028 -14.215 7.776 451 HA GLU 56 HA GLU 56 -9.711 -13.354 9.510 452 1HB GLU 56 HB2 GLU 56 -7.371 -14.008 7.694 453 2HB GLU 56 HB1 GLU 56 -7.329 -13.799 9.445 454 1HG GLU 56 HG2 GLU 56 -9.077 -15.719 9.500 455 2HG GLU 56 HG1 GLU 56 -8.545 -16.048 7.851 456 H ARG 57 HN ARG 57 -10.553 -11.699 7.101 457 HA ARG 57 HA ARG 57 -9.393 -9.217 7.924 458 1HB ARG 57 HB2 ARG 57 -8.082 -8.707 5.866 459 2HB ARG 57 HB1 ARG 57 -7.378 -10.029 6.796 460 1HG ARG 57 HG2 ARG 57 -8.929 -11.509 5.230 461 2HG ARG 57 HG1 ARG 57 -8.801 -10.111 4.163 462 1HD ARG 57 HD2 ARG 57 -6.952 -11.382 3.508 463 2HD ARG 57 HD1 ARG 57 -6.237 -10.283 4.687 464 HE ARG 57 HE ARG 57 -6.977 -12.452 6.222 465 1HH1 ARG 57 HH11 ARG 57 -5.137 -12.045 3.303 466 2HH1 ARG 57 HH12 ARG 57 -4.128 -13.420 3.606 467 1HH2 ARG 57 HH21 ARG 57 -5.663 -14.234 6.604 468 2HH2 ARG 57 HH22 ARG 57 -4.425 -14.653 5.467 469 H THR 58 HN THR 58 -9.923 -7.469 6.129 470 HA THR 58 HA THR 58 -12.690 -8.054 5.224 471 HB THR 58 HB THR 58 -11.276 -5.382 5.128 472 HG1 THR 58 HG1 THR 58 -11.231 -6.322 7.249 473 1HG2 THR 58 HG22 THR 58 -13.410 -5.628 3.894 474 2HG2 THR 58 HG21 THR 58 -14.192 -6.172 5.379 475 3HG2 THR 58 HG23 THR 58 -13.572 -4.525 5.261 476 H ASN 59 HN ASN 59 -13.302 -7.885 3.051 477 HA ASN 59 HA ASN 59 -11.049 -7.615 1.098 478 1HB ASN 59 HB2 ASN 59 -13.473 -9.410 1.135 479 2HB ASN 59 HB1 ASN 59 -12.649 -9.031 -0.379 480 1HD2 ASN 59 HD22 ASN 59 -10.383 -10.984 2.454 481 2HD2 ASN 59 HD21 ASN 59 -11.455 -9.767 2.954 482 H VAL 60 HN VAL 60 -11.217 -5.753 -0.036 483 HA VAL 60 HA VAL 60 -13.958 -4.724 -0.658 484 HB VAL 60 HB VAL 60 -11.436 -3.080 -0.284 485 1HG1 VAL 60 HG11 VAL 60 -14.358 -2.402 -0.704 486 2HG1 VAL 60 HG13 VAL 60 -13.168 -1.228 -0.141 487 3HG1 VAL 60 HG12 VAL 60 -12.995 -1.964 -1.734 488 1HG2 VAL 60 HG23 VAL 60 -13.728 -3.732 1.586 489 2HG2 VAL 60 HG22 VAL 60 -12.002 -3.952 1.873 490 3HG2 VAL 60 HG21 VAL 60 -12.686 -2.327 1.820 491 H VAL 61 HN VAL 61 -14.226 -5.390 -2.762 492 HA VAL 61 HA VAL 61 -11.972 -5.179 -4.667 493 HB VAL 61 HB VAL 61 -14.808 -6.142 -5.149 494 1HG1 VAL 61 HG13 VAL 61 -12.211 -6.389 -6.692 495 2HG1 VAL 61 HG12 VAL 61 -13.652 -7.338 -7.055 496 3HG1 VAL 61 HG11 VAL 61 -13.690 -5.582 -7.213 497 1HG2 VAL 61 HG22 VAL 61 -12.303 -7.569 -4.231 498 2HG2 VAL 61 HG21 VAL 61 -13.907 -7.602 -3.498 499 3HG2 VAL 61 HG23 VAL 61 -13.622 -8.425 -5.031 500 H LEU 62 HN LEU 62 -11.850 -3.613 -6.240 501 HA LEU 62 HA LEU 62 -13.969 -1.513 -6.200 502 1HB LEU 62 HB2 LEU 62 -11.552 -0.896 -5.719 503 2HB LEU 62 HB1 LEU 62 -11.192 -1.318 -7.394 504 HG LEU 62 HG LEU 62 -13.118 0.296 -8.009 505 1HD1 LEU 62 HD11 LEU 62 -12.629 0.938 -5.100 506 2HD1 LEU 62 HD13 LEU 62 -13.236 2.160 -6.217 507 3HD1 LEU 62 HD12 LEU 62 -14.167 0.691 -5.927 508 1HD2 LEU 62 HD21 LEU 62 -10.521 1.288 -6.790 509 2HD2 LEU 62 HD23 LEU 62 -10.783 0.823 -8.472 510 3HD2 LEU 62 HD22 LEU 62 -11.571 2.261 -7.822 511 H THR 63 HN THR 63 -15.416 -1.709 -7.829 512 HA THR 63 HA THR 63 -14.411 -2.281 -10.566 513 HB THR 63 HB THR 63 -15.144 -4.458 -9.763 514 HG1 THR 63 HG1 THR 63 -16.026 -3.313 -11.849 515 1HG2 THR 63 HG22 THR 63 -16.566 -3.602 -7.912 516 2HG2 THR 63 HG21 THR 63 -17.769 -3.096 -9.098 517 3HG2 THR 63 HG23 THR 63 -17.402 -4.808 -8.889 518 H HIS 64 HN HIS 64 -15.693 -1.319 -12.194 519 HA HIS 64 HA HIS 64 -17.549 0.772 -11.209 520 1HB HIS 64 HB2 HIS 64 -15.651 1.195 -12.898 521 2HB HIS 64 HB1 HIS 64 -16.666 0.351 -14.069 522 HD1 HIS 64 HD1 HIS 64 -18.244 1.823 -15.307 523 HD2 HIS 64 HD2 HIS 64 -17.253 3.436 -11.594 524 HE1 HIS 64 HE1 HIS 64 -19.412 4.066 -15.166 525 H GLN 65 HN GLN 65 -17.505 -2.106 -13.261 526 HA GLN 65 HA GLN 65 -20.227 -1.782 -14.216 527 1HB GLN 65 HB2 GLN 65 -18.370 -4.177 -14.122 528 2HB GLN 65 HB1 GLN 65 -19.960 -4.200 -14.885 529 1HG GLN 65 HG2 GLN 65 -19.301 -2.447 -16.434 530 2HG GLN 65 HG1 GLN 65 -17.753 -2.253 -15.611 531 1HE2 GLN 65 HE22 GLN 65 -16.321 -5.199 -17.052 532 2HE2 GLN 65 HE21 GLN 65 -16.209 -4.114 -15.751 533 H GLU 66 HN GLU 66 -22.072 -2.270 -13.132 534 HA GLU 66 HA GLU 66 -21.891 -3.408 -10.428 535 1HB GLU 66 HB2 GLU 66 -24.285 -2.488 -12.052 536 2HB GLU 66 HB1 GLU 66 -24.327 -2.948 -10.350 537 1HG GLU 66 HG2 GLU 66 -22.953 -1.110 -9.711 538 2HG GLU 66 HG1 GLU 66 -22.492 -0.780 -11.382 539 H ASP 67 HN ASP 67 -21.258 -5.116 -12.772 540 HA ASP 67 HA ASP 67 -23.500 -7.076 -12.692 541 1HB ASP 67 HB2 ASP 67 -21.176 -6.624 -14.552 542 2HB ASP 67 HB1 ASP 67 -21.987 -8.190 -14.508 543 H TYR 68 HN TYR 68 -20.060 -6.701 -11.963 544 HA TYR 68 HA TYR 68 -19.630 -9.465 -11.220 545 1HB TYR 68 HB2 TYR 68 -17.864 -7.677 -11.824 546 2HB TYR 68 HB1 TYR 68 -18.047 -7.123 -10.159 547 HD1 TYR 68 HD1 TYR 68 -17.554 -10.302 -12.095 548 HD2 TYR 68 HD2 TYR 68 -16.713 -8.091 -8.510 549 HE1 TYR 68 HE1 TYR 68 -16.057 -12.123 -11.323 550 HE2 TYR 68 HE2 TYR 68 -15.217 -9.912 -7.737 551 HH TYR 68 HH TYR 68 -14.899 -12.931 -9.572 552 H GLN 69 HN GLN 69 -19.837 -10.428 -9.211 553 HA GLN 69 HA GLN 69 -20.581 -8.731 -6.887 554 1HB GLN 69 HB2 GLN 69 -22.239 -10.971 -8.057 555 2HB GLN 69 HB1 GLN 69 -22.409 -10.462 -6.377 556 1HG GLN 69 HG2 GLN 69 -22.554 -8.484 -8.654 557 2HG GLN 69 HG1 GLN 69 -23.981 -9.354 -8.089 558 1HE2 GLN 69 HE22 GLN 69 -24.038 -7.662 -4.904 559 2HE2 GLN 69 HE21 GLN 69 -24.414 -9.145 -5.638 560 H ALA 70 HN ALA 70 -18.749 -9.273 -5.720 561 HA ALA 70 HA ALA 70 -17.860 -12.074 -5.550 562 1HB ALA 70 HB3 ALA 70 -16.857 -9.448 -4.471 563 2HB ALA 70 HB2 ALA 70 -16.236 -10.968 -3.828 564 3HB ALA 70 HB1 ALA 70 -16.041 -10.589 -5.539 565 H GLN 71 HN GLN 71 -18.831 -13.440 -4.148 566 HA GLN 71 HA GLN 71 -20.566 -12.507 -2.020 567 1HB GLN 71 HB2 GLN 71 -19.467 -15.256 -2.678 568 2HB GLN 71 HB1 GLN 71 -20.663 -14.947 -1.420 569 1HG GLN 71 HG2 GLN 71 -22.151 -13.918 -3.141 570 2HG GLN 71 HG1 GLN 71 -20.977 -14.367 -4.378 571 1HE2 GLN 71 HE22 GLN 71 -22.884 -17.465 -2.440 572 2HE2 GLN 71 HE21 GLN 71 -22.480 -16.072 -1.561 573 H GLY 72 HN GLY 72 -20.038 -12.109 0.082 574 1HA GLY 72 HA2 GLY 72 -18.807 -12.137 2.095 575 2HA GLY 72 HA1 GLY 72 -17.758 -13.366 1.387 576 H ALA 73 HN ALA 73 -18.468 -10.159 0.052 577 HA ALA 73 HA ALA 73 -15.864 -9.088 0.870 578 1HB ALA 73 HB3 ALA 73 -16.426 -9.977 -1.956 579 2HB ALA 73 HB2 ALA 73 -15.304 -8.656 -1.632 580 3HB ALA 73 HB1 ALA 73 -14.988 -10.263 -0.977 581 H VAL 74 HN VAL 74 -15.935 -6.860 0.882 582 HA VAL 74 HA VAL 74 -18.488 -5.571 0.350 583 HB VAL 74 HB VAL 74 -15.812 -4.286 0.977 584 1HG1 VAL 74 HG12 VAL 74 -17.599 -2.773 0.130 585 2HG1 VAL 74 HG11 VAL 74 -18.662 -3.340 1.417 586 3HG1 VAL 74 HG13 VAL 74 -17.195 -2.445 1.815 587 1HG2 VAL 74 HG21 VAL 74 -17.941 -5.515 2.736 588 2HG2 VAL 74 HG23 VAL 74 -16.202 -5.811 2.756 589 3HG2 VAL 74 HG22 VAL 74 -16.843 -4.276 3.344 590 H VAL 75 HN VAL 75 -18.946 -5.587 -1.852 591 HA VAL 75 HA VAL 75 -16.934 -4.861 -3.842 592 HB VAL 75 HB VAL 75 -19.941 -5.087 -4.171 593 1HG1 VAL 75 HG13 VAL 75 -18.631 -3.932 -5.984 594 2HG1 VAL 75 HG12 VAL 75 -17.699 -5.415 -6.184 595 3HG1 VAL 75 HG11 VAL 75 -19.430 -5.410 -6.517 596 1HG2 VAL 75 HG21 VAL 75 -17.748 -7.171 -4.430 597 2HG2 VAL 75 HG23 VAL 75 -19.054 -7.168 -3.246 598 3HG2 VAL 75 HG22 VAL 75 -19.416 -7.405 -4.955 599 H VAL 76 HN VAL 76 -16.257 -2.743 -3.534 600 HA VAL 76 HA VAL 76 -18.264 -0.607 -3.162 601 HB VAL 76 HB VAL 76 -16.241 0.872 -3.031 602 1HG1 VAL 76 HG11 VAL 76 -16.265 -1.605 -1.280 603 2HG1 VAL 76 HG13 VAL 76 -15.383 -0.124 -0.903 604 3HG1 VAL 76 HG12 VAL 76 -17.146 -0.105 -0.987 605 1HG2 VAL 76 HG23 VAL 76 -14.915 -0.773 -4.542 606 2HG2 VAL 76 HG22 VAL 76 -14.055 -0.013 -3.203 607 3HG2 VAL 76 HG21 VAL 76 -14.622 -1.677 -3.056 608 H HIS 77 HN HIS 77 -18.090 1.355 -4.606 609 HA HIS 77 HA HIS 77 -17.144 0.733 -7.356 610 1HB HIS 77 HB2 HIS 77 -19.942 1.684 -6.666 611 2HB HIS 77 HB1 HIS 77 -19.291 1.545 -8.299 612 HD1 HIS 77 HD1 HIS 77 -19.372 -0.729 -9.386 613 HD2 HIS 77 HD2 HIS 77 -20.142 -0.915 -5.293 614 HE1 HIS 77 HE1 HIS 77 -20.081 -3.111 -8.897 615 H ASP 78 HN ASP 78 -16.308 2.560 -5.136 616 HA ASP 78 HA ASP 78 -15.755 4.893 -6.710 617 1HB ASP 78 HB2 ASP 78 -17.083 6.529 -5.348 618 2HB ASP 78 HB1 ASP 78 -18.090 5.462 -6.328 619 H VAL 79 HN VAL 79 -14.344 6.359 -5.567 620 HA VAL 79 HA VAL 79 -12.752 5.097 -3.519 621 HB VAL 79 HB VAL 79 -12.779 8.019 -4.331 622 1HG1 VAL 79 HG12 VAL 79 -11.035 6.290 -2.655 623 2HG1 VAL 79 HG11 VAL 79 -10.211 7.408 -3.743 624 3HG1 VAL 79 HG13 VAL 79 -11.347 8.022 -2.541 625 1HG2 VAL 79 HG23 VAL 79 -11.290 5.643 -5.492 626 2HG2 VAL 79 HG22 VAL 79 -12.504 6.622 -6.313 627 3HG2 VAL 79 HG21 VAL 79 -10.944 7.326 -5.889 628 H ALA 80 HN ALA 80 -15.397 7.412 -3.485 629 HA ALA 80 HA ALA 80 -15.073 8.320 -0.779 630 1HB ALA 80 HB2 ALA 80 -16.520 9.467 -2.435 631 2HB ALA 80 HB1 ALA 80 -17.614 8.083 -2.422 632 3HB ALA 80 HB3 ALA 80 -17.410 9.061 -0.968 633 H ALA 81 HN ALA 81 -16.502 5.451 -2.199 634 HA ALA 81 HA ALA 81 -17.918 4.639 0.215 635 1HB ALA 81 HB1 ALA 81 -17.123 3.104 -2.278 636 2HB ALA 81 HB3 ALA 81 -18.144 2.455 -0.994 637 3HB ALA 81 HB2 ALA 81 -18.695 3.833 -1.948 638 H VAL 82 HN VAL 82 -14.759 3.984 -1.233 639 HA VAL 82 HA VAL 82 -14.016 1.866 0.574 640 HB VAL 82 HB VAL 82 -12.190 3.799 -0.884 641 1HG1 VAL 82 HG12 VAL 82 -11.800 0.982 0.172 642 2HG1 VAL 82 HG11 VAL 82 -10.619 1.870 -0.792 643 3HG1 VAL 82 HG13 VAL 82 -11.059 2.448 0.816 644 1HG2 VAL 82 HG21 VAL 82 -13.749 1.393 -1.780 645 2HG2 VAL 82 HG23 VAL 82 -13.450 2.907 -2.633 646 3HG2 VAL 82 HG22 VAL 82 -12.167 1.706 -2.494 647 H PHE 83 HN PHE 83 -13.366 5.376 0.563 648 HA PHE 83 HA PHE 83 -11.917 5.329 3.071 649 1HB PHE 83 HB2 PHE 83 -13.161 7.507 1.394 650 2HB PHE 83 HB1 PHE 83 -12.463 7.861 2.975 651 HD1 PHE 83 HD1 PHE 83 -10.084 6.525 3.323 652 HD2 PHE 83 HD2 PHE 83 -11.739 7.867 -0.407 653 HE1 PHE 83 HE1 PHE 83 -7.816 6.539 2.321 654 HE2 PHE 83 HE2 PHE 83 -9.470 7.880 -1.410 655 HZ PHE 83 HZ PHE 83 -7.509 7.216 -0.046 656 H ALA 84 HN ALA 84 -15.291 5.620 2.165 657 HA ALA 84 HA ALA 84 -16.277 6.678 4.646 658 1HB ALA 84 HB2 ALA 84 -17.546 5.044 2.444 659 2HB ALA 84 HB1 ALA 84 -18.453 5.551 3.869 660 3HB ALA 84 HB3 ALA 84 -17.760 6.761 2.788 661 H TYR 85 HN TYR 85 -15.623 3.389 3.510 662 HA TYR 85 HA TYR 85 -16.789 2.081 5.819 663 1HB TYR 85 HB2 TYR 85 -16.348 1.009 3.554 664 2HB TYR 85 HB1 TYR 85 -14.640 0.974 3.994 665 HD1 TYR 85 HD2 TYR 85 -13.830 -0.450 5.819 666 HD2 TYR 85 HD1 TYR 85 -17.976 -0.405 4.695 667 HE1 TYR 85 HE2 TYR 85 -14.207 -2.526 7.124 668 HE2 TYR 85 HE1 TYR 85 -18.353 -2.480 5.999 669 HH TYR 85 HH TYR 85 -17.422 -3.787 7.681 670 H ALA 86 HN ALA 86 -13.586 3.308 4.993 671 HA ALA 86 HA ALA 86 -12.204 2.085 7.217 672 1HB ALA 86 HB1 ALA 86 -11.052 2.975 5.190 673 2HB ALA 86 HB3 ALA 86 -11.491 4.609 5.689 674 3HB ALA 86 HB2 ALA 86 -10.397 3.645 6.684 675 H LYS 87 HN LYS 87 -14.046 5.048 6.794 676 HA LYS 87 HA LYS 87 -13.175 6.369 9.196 677 1HB LYS 87 HB2 LYS 87 -14.541 7.297 7.169 678 2HB LYS 87 HB1 LYS 87 -15.943 6.692 8.053 679 1HG LYS 87 HG2 LYS 87 -15.327 8.029 10.008 680 2HG LYS 87 HG1 LYS 87 -13.869 8.590 9.189 681 1HD LYS 87 HD2 LYS 87 -15.262 9.636 7.433 682 2HD LYS 87 HD1 LYS 87 -16.716 9.097 8.277 683 1HE LYS 87 HE2 LYS 87 -14.603 10.914 9.474 684 2HE LYS 87 HE1 LYS 87 -16.137 11.466 8.799 685 1HZ LYS 87 HZ3 LYS 87 -17.111 9.715 10.426 686 2HZ LYS 87 HZ2 LYS 87 -15.631 9.907 11.238 687 3HZ LYS 87 HZ1 LYS 87 -16.654 11.244 11.005 688 H GLN 88 HN GLN 88 -15.850 4.136 8.488 689 HA GLN 88 HA GLN 88 -17.035 4.258 11.107 690 1HB GLN 88 HB2 GLN 88 -17.143 2.217 8.878 691 2HB GLN 88 HB1 GLN 88 -18.016 1.994 10.395 692 1HG GLN 88 HG2 GLN 88 -18.286 4.490 8.708 693 2HG GLN 88 HG1 GLN 88 -19.347 3.094 8.522 694 1HE2 GLN 88 HE22 GLN 88 -19.865 5.607 11.671 695 2HE2 GLN 88 HE21 GLN 88 -18.623 5.859 10.542 696 H HIS 89 HN HIS 89 -14.383 2.413 9.730 697 HA HIS 89 HA HIS 89 -14.000 1.099 12.393 698 1HB HIS 89 HB2 HIS 89 -13.425 0.097 9.597 699 2HB HIS 89 HB1 HIS 89 -12.705 -0.641 11.029 700 HD1 HIS 89 HD1 HIS 89 -14.016 -2.617 11.767 701 HD2 HIS 89 HD2 HIS 89 -16.490 0.339 10.181 702 HE1 HIS 89 HE1 HIS 89 -16.384 -3.496 11.940 703 HA PRO 90 HA PRO 90 -10.320 3.809 11.817 704 1HB PRO 90 HB2 PRO 90 -10.283 4.521 14.524 705 2HB PRO 90 HB1 PRO 90 -10.999 5.467 13.213 706 1HG PRO 90 HG2 PRO 90 -12.335 4.117 15.356 707 2HG PRO 90 HG1 PRO 90 -13.045 5.088 14.058 708 1HD PRO 90 HD2 PRO 90 -12.945 2.180 14.334 709 2HD PRO 90 HD1 PRO 90 -13.923 3.168 13.236 710 H ASP 91 HN ASP 91 -11.097 1.209 13.994 711 HA ASP 91 HA ASP 91 -8.514 0.889 15.220 712 1HB ASP 91 HB2 ASP 91 -9.317 -1.443 15.688 713 2HB ASP 91 HB1 ASP 91 -10.466 -0.200 16.182 714 H GLN 92 HN GLN 92 -9.833 -0.015 12.116 715 HA GLN 92 HA GLN 92 -7.493 -1.750 11.532 716 1HB GLN 92 HB2 GLN 92 -10.101 -1.195 10.114 717 2HB GLN 92 HB1 GLN 92 -8.771 -2.021 9.301 718 1HG GLN 92 HG2 GLN 92 -8.849 -3.857 10.766 719 2HG GLN 92 HG1 GLN 92 -9.725 -2.952 12.002 720 1HE2 GLN 92 HE22 GLN 92 -11.803 -5.001 9.236 721 2HE2 GLN 92 HE21 GLN 92 -10.122 -5.149 9.415 722 H GLU 93 HN GLU 93 -6.780 -1.364 9.053 723 HA GLU 93 HA GLU 93 -6.476 1.562 8.576 724 1HB GLU 93 HB2 GLU 93 -4.293 -0.488 8.909 725 2HB GLU 93 HB1 GLU 93 -4.034 0.938 7.905 726 1HG GLU 93 HG2 GLU 93 -3.295 1.675 10.001 727 2HG GLU 93 HG1 GLU 93 -4.964 2.246 9.973 728 H LEU 94 HN LEU 94 -5.988 2.072 6.341 729 HA LEU 94 HA LEU 94 -7.111 0.092 4.471 730 1HB LEU 94 HB2 LEU 94 -7.570 2.656 4.508 731 2HB LEU 94 HB1 LEU 94 -6.014 2.787 3.689 732 HG LEU 94 HG LEU 94 -6.948 0.979 2.079 733 1HD1 LEU 94 HD12 LEU 94 -9.475 1.996 3.411 734 2HD1 LEU 94 HD11 LEU 94 -9.452 1.121 1.879 735 3HD1 LEU 94 HD13 LEU 94 -8.902 0.328 3.356 736 1HD2 LEU 94 HD22 LEU 94 -7.971 3.829 2.192 737 2HD2 LEU 94 HD21 LEU 94 -6.572 3.225 1.302 738 3HD2 LEU 94 HD23 LEU 94 -8.201 2.779 0.793 739 H VAL 95 HN VAL 95 -5.944 -0.930 2.843 740 HA VAL 95 HA VAL 95 -3.088 -0.236 2.465 741 HB VAL 95 HB VAL 95 -3.979 -3.051 3.157 742 1HG1 VAL 95 HG12 VAL 95 -2.007 -2.822 1.638 743 2HG1 VAL 95 HG11 VAL 95 -1.215 -1.836 2.867 744 3HG1 VAL 95 HG13 VAL 95 -1.587 -3.529 3.198 745 1HG2 VAL 95 HG21 VAL 95 -2.546 -0.948 4.808 746 2HG2 VAL 95 HG23 VAL 95 -4.126 -1.654 5.146 747 3HG2 VAL 95 HG22 VAL 95 -2.673 -2.647 5.263 748 H ILE 96 HN ILE 96 -2.845 -0.100 0.297 749 HA ILE 96 HA ILE 96 -4.701 -1.571 -1.479 750 HB ILE 96 HB ILE 96 -2.509 0.391 -2.209 751 1HG1 ILE 96 HG12 ILE 96 -4.148 1.435 -0.684 752 2HG1 ILE 96 HG11 ILE 96 -4.312 2.080 -2.316 753 1HG2 ILE 96 HG21 ILE 96 -3.305 -1.059 -4.045 754 2HG2 ILE 96 HG23 ILE 96 -4.966 -0.564 -3.713 755 3HG2 ILE 96 HG22 ILE 96 -3.793 0.617 -4.297 756 1HD1 ILE 96 HD11 ILE 96 -6.159 0.391 -2.699 757 2HD1 ILE 96 HD13 ILE 96 -6.074 0.005 -0.981 758 3HD1 ILE 96 HD12 ILE 96 -6.537 1.626 -1.498 759 H ALA 97 HN ALA 97 -4.115 -3.457 -2.423 760 HA ALA 97 HA ALA 97 -1.255 -4.277 -2.279 761 1HB ALA 97 HB3 ALA 97 -3.457 -5.659 -1.526 762 2HB ALA 97 HB2 ALA 97 -3.332 -6.193 -3.203 763 3HB ALA 97 HB1 ALA 97 -1.983 -6.443 -2.094 764 H GLY 98 HN GLY 98 -3.925 -3.782 -4.541 765 1HA GLY 98 HA2 GLY 98 -2.447 -3.011 -6.750 766 2HA GLY 98 HA1 GLY 98 -2.457 -4.773 -6.852 767 H GLY 99 HN GLY 99 -5.439 -3.802 -8.778 768 1HA GLY 99 HA2 GLY 99 -2.565 -4.421 -8.898 769 2HA GLY 99 HA1 GLY 99 -3.641 -4.204 -10.279 770 H ALA 100 HN ALA 100 -2.127 -2.764 -11.292 771 HA ALA 100 HA ALA 100 -1.117 -0.394 -10.003 772 1HB ALA 100 HB3 ALA 100 -1.443 -1.161 -12.915 773 2HB ALA 100 HB2 ALA 100 -0.690 0.348 -12.399 774 3HB ALA 100 HB1 ALA 100 0.035 -1.197 -11.952 775 H GLN 101 HN GLN 101 -4.112 -1.180 -11.613 776 HA GLN 101 HA GLN 101 -4.964 1.527 -12.148 777 1HB GLN 101 HB2 GLN 101 -5.907 -0.727 -13.067 778 2HB GLN 101 HB1 GLN 101 -6.867 -0.740 -11.587 779 1HG GLN 101 HG2 GLN 101 -7.770 1.484 -12.140 780 2HG GLN 101 HG1 GLN 101 -6.807 1.511 -13.617 781 1HE2 GLN 101 HE22 GLN 101 -9.870 -1.243 -13.456 782 2HE2 GLN 101 HE21 GLN 101 -9.008 -0.889 -12.037 783 H ILE 102 HN ILE 102 -5.202 -0.627 -9.365 784 HA ILE 102 HA ILE 102 -7.049 1.074 -7.896 785 HB ILE 102 HB ILE 102 -5.171 -1.050 -6.823 786 1HG1 ILE 102 HG12 ILE 102 -6.583 -1.952 -8.639 787 2HG1 ILE 102 HG11 ILE 102 -7.081 -2.598 -7.078 788 1HG2 ILE 102 HG23 ILE 102 -6.187 0.454 -5.134 789 2HG2 ILE 102 HG22 ILE 102 -7.788 0.052 -5.757 790 3HG2 ILE 102 HG21 ILE 102 -6.799 -1.194 -4.995 791 1HD1 ILE 102 HD11 ILE 102 -8.403 -0.280 -8.526 792 2HD1 ILE 102 HD13 ILE 102 -9.042 -1.920 -8.417 793 3HD1 ILE 102 HD12 ILE 102 -8.902 -0.930 -6.964 794 H PHE 103 HN PHE 103 -3.528 0.638 -7.985 795 HA PHE 103 HA PHE 103 -2.898 2.329 -5.767 796 1HB PHE 103 HB2 PHE 103 -1.354 1.553 -8.249 797 2HB PHE 103 HB1 PHE 103 -0.663 2.579 -6.991 798 HD1 PHE 103 HD1 PHE 103 -1.460 1.535 -4.490 799 HD2 PHE 103 HD2 PHE 103 -0.589 -0.638 -8.092 800 HE1 PHE 103 HE1 PHE 103 -0.918 -0.477 -3.145 801 HE2 PHE 103 HE2 PHE 103 -0.048 -2.650 -6.747 802 HZ PHE 103 HZ PHE 103 -0.212 -2.569 -4.273 803 H THR 104 HN THR 104 -2.979 3.045 -9.273 804 HA THR 104 HA THR 104 -2.445 5.842 -9.011 805 HB THR 104 HB THR 104 -4.160 4.654 -11.193 806 HG1 THR 104 HG1 THR 104 -2.336 3.872 -12.128 807 1HG2 THR 104 HG23 THR 104 -3.690 7.127 -11.083 808 2HG2 THR 104 HG22 THR 104 -1.976 6.750 -11.262 809 3HG2 THR 104 HG21 THR 104 -3.107 6.348 -12.554 810 H ALA 105 HN ALA 105 -5.327 3.956 -8.520 811 HA ALA 105 HA ALA 105 -7.201 6.166 -8.761 812 1HB ALA 105 HB3 ALA 105 -7.475 3.475 -7.386 813 2HB ALA 105 HB2 ALA 105 -8.801 4.594 -7.698 814 3HB ALA 105 HB1 ALA 105 -7.947 3.842 -9.045 815 H PHE 106 HN PHE 106 -5.254 4.782 -6.189 816 HA PHE 106 HA PHE 106 -6.459 6.736 -4.271 817 1HB PHE 106 HB2 PHE 106 -5.101 4.069 -3.873 818 2HB PHE 106 HB1 PHE 106 -5.276 5.220 -2.548 819 HD1 PHE 106 HD1 PHE 106 -7.508 5.864 -1.719 820 HD2 PHE 106 HD2 PHE 106 -7.021 2.920 -4.809 821 HE1 PHE 106 HE1 PHE 106 -9.850 5.122 -1.381 822 HE2 PHE 106 HE2 PHE 106 -9.364 2.178 -4.471 823 HZ PHE 106 HZ PHE 106 -10.779 3.280 -2.757 824 H LYS 107 HN LYS 107 -4.141 6.923 -6.356 825 HA LYS 107 HA LYS 107 -1.724 7.304 -4.827 826 1HB LYS 107 HB2 LYS 107 -0.928 8.514 -6.862 827 2HB LYS 107 HB1 LYS 107 -1.619 6.937 -7.238 828 1HG LYS 107 HG2 LYS 107 -2.818 8.120 -8.781 829 2HG LYS 107 HG1 LYS 107 -3.846 8.492 -7.397 830 1HD LYS 107 HD2 LYS 107 -3.421 10.631 -8.198 831 2HD LYS 107 HD1 LYS 107 -2.106 10.453 -7.035 832 1HE LYS 107 HE2 LYS 107 -1.713 9.573 -9.883 833 2HE LYS 107 HE1 LYS 107 -1.554 11.278 -9.458 834 1HZ LYS 107 HZ1 LYS 107 -0.159 9.967 -7.518 835 2HZ LYS 107 HZ3 LYS 107 0.219 9.100 -8.925 836 3HZ LYS 107 HZ2 LYS 107 0.509 10.773 -8.856 837 H ASP 108 HN ASP 108 -4.498 9.313 -5.525 838 HA ASP 108 HA ASP 108 -3.194 11.807 -4.725 839 1HB ASP 108 HB2 ASP 108 -5.205 11.550 -6.320 840 2HB ASP 108 HB1 ASP 108 -6.173 11.334 -4.861 841 H ASP 109 HN ASP 109 -3.492 9.328 -2.878 842 HA ASP 109 HA ASP 109 -3.997 10.875 -0.448 843 1HB ASP 109 HB2 ASP 109 -5.951 8.839 -1.471 844 2HB ASP 109 HB1 ASP 109 -5.695 8.981 0.268 845 H VAL 110 HN VAL 110 -1.766 9.414 -1.572 846 HA VAL 110 HA VAL 110 -1.582 6.945 0.045 847 HB VAL 110 HB VAL 110 -0.724 6.924 -2.271 848 1HG1 VAL 110 HG13 VAL 110 1.195 9.040 -1.252 849 2HG1 VAL 110 HG12 VAL 110 1.303 8.247 -2.823 850 3HG1 VAL 110 HG11 VAL 110 -0.077 9.280 -2.449 851 1HG2 VAL 110 HG23 VAL 110 0.394 5.667 -0.268 852 2HG2 VAL 110 HG22 VAL 110 1.256 5.746 -1.806 853 3HG2 VAL 110 HG21 VAL 110 1.704 6.828 -0.489 854 H ASP 111 HN ASP 111 0.037 6.668 1.676 855 HA ASP 111 HA ASP 111 1.333 9.181 2.641 856 1HB ASP 111 HB2 ASP 111 -0.121 7.126 4.337 857 2HB ASP 111 HB1 ASP 111 0.802 8.492 4.967 858 H THR 112 HN THR 112 1.198 5.652 3.255 859 HA THR 112 HA THR 112 4.146 5.695 3.687 860 HB THR 112 HB THR 112 2.385 3.299 4.151 861 HG1 THR 112 HG1 THR 112 1.622 4.140 5.943 862 1HG2 THR 112 HG23 THR 112 4.897 3.195 4.299 863 2HG2 THR 112 HG22 THR 112 4.809 4.348 5.630 864 3HG2 THR 112 HG21 THR 112 4.069 2.756 5.793 865 H LEU 113 HN LEU 113 5.440 4.952 2.082 866 HA LEU 113 HA LEU 113 4.178 3.359 -0.109 867 1HB LEU 113 HB2 LEU 113 6.564 5.217 -0.052 868 2HB LEU 113 HB1 LEU 113 6.266 4.112 -1.394 869 HG LEU 113 HG LEU 113 4.098 5.962 -0.419 870 1HD1 LEU 113 HD13 LEU 113 6.351 6.570 -2.352 871 2HD1 LEU 113 HD12 LEU 113 4.853 7.499 -2.290 872 3HD1 LEU 113 HD11 LEU 113 5.924 7.460 -0.890 873 1HD2 LEU 113 HD23 LEU 113 3.732 3.994 -2.030 874 2HD2 LEU 113 HD22 LEU 113 3.165 5.571 -2.581 875 3HD2 LEU 113 HD21 LEU 113 4.681 4.913 -3.197 876 H LEU 114 HN LEU 114 4.465 1.262 0.685 877 HA LEU 114 HA LEU 114 7.176 0.445 1.575 878 1HB LEU 114 HB2 LEU 114 4.498 -0.973 1.577 879 2HB LEU 114 HB1 LEU 114 6.005 -1.742 2.077 880 HG LEU 114 HG LEU 114 5.133 0.880 3.281 881 1HD1 LEU 114 HD12 LEU 114 3.306 -0.838 3.528 882 2HD1 LEU 114 HD11 LEU 114 4.465 -1.872 4.361 883 3HD1 LEU 114 HD13 LEU 114 4.009 -0.318 5.059 884 1HD2 LEU 114 HD21 LEU 114 7.020 -1.368 3.995 885 2HD2 LEU 114 HD23 LEU 114 7.379 0.350 3.817 886 3HD2 LEU 114 HD22 LEU 114 6.464 -0.221 5.213 887 H VAL 115 HN VAL 115 8.481 0.076 -0.173 888 HA VAL 115 HA VAL 115 7.354 -1.531 -2.428 889 HB VAL 115 HB VAL 115 8.162 0.713 -3.074 890 1HG1 VAL 115 HG11 VAL 115 9.889 0.789 -1.196 891 2HG1 VAL 115 HG13 VAL 115 10.917 -0.205 -2.229 892 3HG1 VAL 115 HG12 VAL 115 10.426 1.403 -2.760 893 1HG2 VAL 115 HG23 VAL 115 8.439 -1.320 -4.579 894 2HG2 VAL 115 HG22 VAL 115 9.528 0.023 -4.926 895 3HG2 VAL 115 HG21 VAL 115 10.118 -1.387 -4.044 896 H THR 116 HN THR 116 8.448 -3.398 -3.069 897 HA THR 116 HA THR 116 10.719 -4.243 -1.311 898 HB THR 116 HB THR 116 8.716 -6.052 -2.692 899 HG1 THR 116 HG1 THR 116 7.682 -6.151 -0.755 900 1HG2 THR 116 HG23 THR 116 10.936 -7.031 -2.164 901 2HG2 THR 116 HG22 THR 116 10.721 -6.561 -0.477 902 3HG2 THR 116 HG21 THR 116 9.647 -7.757 -1.204 903 H ARG 117 HN ARG 117 12.448 -3.724 -2.643 904 HA ARG 117 HA ARG 117 12.375 -4.376 -5.510 905 1HB ARG 117 HB2 ARG 117 14.378 -3.074 -3.673 906 2HB ARG 117 HB1 ARG 117 14.847 -3.586 -5.295 907 1HG ARG 117 HG2 ARG 117 12.665 -2.299 -6.016 908 2HG ARG 117 HG1 ARG 117 12.879 -1.474 -4.471 909 1HD ARG 117 HD2 ARG 117 15.380 -1.241 -5.307 910 2HD ARG 117 HD1 ARG 117 14.640 -1.441 -6.895 911 HE ARG 117 HE ARG 117 13.453 0.633 -6.569 912 1HH1 ARG 117 HH11 ARG 117 15.459 -0.280 -3.882 913 2HH1 ARG 117 HH12 ARG 117 15.413 1.294 -3.161 914 1HH2 ARG 117 HH21 ARG 117 13.404 2.671 -5.624 915 2HH2 ARG 117 HH22 ARG 117 14.255 2.956 -4.143 916 H LEU 118 HN LEU 118 13.497 -6.068 -6.478 917 HA LEU 118 HA LEU 118 14.748 -8.042 -4.608 918 1HB LEU 118 HB2 LEU 118 12.888 -8.316 -6.896 919 2HB LEU 118 HB1 LEU 118 14.213 -9.481 -6.873 920 HG LEU 118 HG LEU 118 13.621 -9.936 -4.444 921 1HD1 LEU 118 HD13 LEU 118 12.336 -7.858 -4.070 922 2HD1 LEU 118 HD12 LEU 118 11.129 -8.397 -5.238 923 3HD1 LEU 118 HD11 LEU 118 11.353 -9.282 -3.730 924 1HD2 LEU 118 HD22 LEU 118 11.612 -10.501 -6.643 925 2HD2 LEU 118 HD21 LEU 118 12.963 -11.522 -6.148 926 3HD2 LEU 118 HD23 LEU 118 11.585 -11.298 -5.071 927 H ALA 119 HN ALA 119 16.813 -8.751 -5.080 928 HA ALA 119 HA ALA 119 18.444 -7.174 -6.855 929 1HB ALA 119 HB2 ALA 119 18.919 -9.741 -5.330 930 2HB ALA 119 HB1 ALA 119 20.157 -9.028 -6.364 931 3HB ALA 119 HB3 ALA 119 19.545 -8.131 -4.974 932 H GLY 120 HN GLY 120 16.789 -10.265 -7.166 933 1HA GLY 120 HA2 GLY 120 18.110 -11.017 -9.647 934 2HA GLY 120 HA1 GLY 120 16.664 -11.773 -8.976 935 H SER 121 HN SER 121 17.549 -10.416 -11.697 936 HA SER 121 HA SER 121 15.415 -8.419 -12.029 937 1HB SER 121 HB2 SER 121 17.339 -9.622 -14.042 938 2HB SER 121 HB1 SER 121 16.259 -8.266 -14.349 939 HG SER 121 HG SER 121 17.469 -7.005 -13.111 940 H PHE 122 HN PHE 122 13.514 -8.746 -13.196 941 HA PHE 122 HA PHE 122 13.053 -11.409 -14.431 942 1HB PHE 122 HB2 PHE 122 11.226 -10.167 -12.350 943 2HB PHE 122 HB1 PHE 122 10.900 -11.650 -13.250 944 HD1 PHE 122 HD2 PHE 122 12.406 -13.641 -12.954 945 HD2 PHE 122 HD1 PHE 122 12.686 -10.156 -10.457 946 HE1 PHE 122 HE2 PHE 122 13.701 -14.941 -11.285 947 HE2 PHE 122 HE1 PHE 122 13.981 -11.456 -8.788 948 HZ PHE 122 HZ PHE 122 14.488 -13.848 -9.202 949 H GLU 123 HN GLU 123 11.833 -11.240 -16.276 950 HA GLU 123 HA GLU 123 10.851 -8.529 -16.998 951 1HB GLU 123 HB2 GLU 123 12.391 -9.950 -18.506 952 2HB GLU 123 HB1 GLU 123 10.960 -10.931 -18.825 953 1HG GLU 123 HG2 GLU 123 9.762 -9.022 -19.700 954 2HG GLU 123 HG1 GLU 123 11.055 -7.927 -19.208 955 H GLY 124 HN GLY 124 8.705 -8.289 -17.917 956 1HA GLY 124 HA2 GLY 124 6.804 -10.509 -17.739 957 2HA GLY 124 HA1 GLY 124 6.565 -9.267 -16.508 958 H ASP 125 HN ASP 125 4.693 -8.302 -17.253 959 HA ASP 125 HA ASP 125 4.915 -6.859 -19.848 960 1HB ASP 125 HB2 ASP 125 2.724 -8.746 -18.995 961 2HB ASP 125 HB1 ASP 125 2.389 -7.428 -20.119 962 H THR 126 HN THR 126 3.604 -7.141 -16.622 963 HA THR 126 HA THR 126 2.259 -4.501 -16.860 964 HB THR 126 HB THR 126 2.325 -6.345 -14.458 965 HG1 THR 126 HG1 THR 126 1.319 -7.562 -15.906 966 1HG2 THR 126 HG21 THR 126 1.624 -3.881 -14.279 967 2HG2 THR 126 HG23 THR 126 0.229 -4.326 -15.262 968 3HG2 THR 126 HG22 THR 126 0.473 -5.077 -13.684 969 H LYS 127 HN LYS 127 3.491 -2.753 -16.403 970 HA LYS 127 HA LYS 127 5.829 -3.075 -14.586 971 1HB LYS 127 HB2 LYS 127 5.074 -0.843 -16.500 972 2HB LYS 127 HB1 LYS 127 6.526 -0.862 -15.499 973 1HG LYS 127 HG2 LYS 127 7.131 -3.067 -16.588 974 2HG LYS 127 HG1 LYS 127 5.801 -2.794 -17.713 975 1HD LYS 127 HD2 LYS 127 6.826 -0.634 -18.379 976 2HD LYS 127 HD1 LYS 127 8.180 -0.961 -17.295 977 1HE LYS 127 HE2 LYS 127 8.820 -2.909 -18.566 978 2HE LYS 127 HE1 LYS 127 7.357 -2.813 -19.546 979 1HZ LYS 127 HZ1 LYS 127 8.765 -0.355 -19.608 980 2HZ LYS 127 HZ3 LYS 127 9.793 -1.624 -20.065 981 3HZ LYS 127 HZ2 LYS 127 8.333 -1.375 -20.897 982 H MET 128 HN MET 128 6.226 -1.132 -13.114 983 HA MET 128 HA MET 128 3.748 -0.579 -11.624 984 1HB MET 128 HB2 MET 128 5.961 -1.192 -10.532 985 2HB MET 128 HB1 MET 128 6.546 0.404 -11.005 986 1HG MET 128 HG2 MET 128 5.717 0.589 -8.748 987 2HG MET 128 HG1 MET 128 4.553 1.391 -9.802 988 1HE MET 128 HE2 MET 128 3.345 1.330 -7.669 989 2HE MET 128 HE1 MET 128 2.010 1.033 -8.779 990 3HE MET 128 HE3 MET 128 2.143 0.103 -7.279 991 H ILE 129 HN ILE 129 2.966 1.549 -11.198 992 HA ILE 129 HA ILE 129 3.282 3.416 -13.397 993 HB ILE 129 HB ILE 129 1.774 4.867 -12.014 994 1HG1 ILE 129 HG12 ILE 129 1.749 2.546 -10.070 995 2HG1 ILE 129 HG11 ILE 129 2.760 3.971 -9.825 996 1HG2 ILE 129 HG22 ILE 129 1.094 2.782 -13.484 997 2HG2 ILE 129 HG21 ILE 129 0.657 2.082 -11.924 998 3HG2 ILE 129 HG23 ILE 129 -0.110 3.575 -12.467 999 1HD1 ILE 129 HD12 ILE 129 0.614 5.348 -10.127 1000 2HD1 ILE 129 HD11 ILE 129 -0.256 3.826 -9.941 1001 3HD1 ILE 129 HD13 ILE 129 0.757 4.429 -8.628 1002 HA PRO 130 HA PRO 130 6.435 6.069 -11.721 1003 1HB PRO 130 HB2 PRO 130 5.492 8.523 -12.683 1004 2HB PRO 130 HB1 PRO 130 6.488 7.370 -13.582 1005 1HG PRO 130 HG2 PRO 130 3.756 8.089 -14.050 1006 2HG PRO 130 HG1 PRO 130 4.766 6.957 -14.961 1007 1HD PRO 130 HD2 PRO 130 2.674 6.389 -12.998 1008 2HD PRO 130 HD1 PRO 130 3.454 5.294 -14.152 1009 H LEU 131 HN LEU 131 6.245 6.189 -9.481 1010 HA LEU 131 HA LEU 131 4.098 7.796 -8.256 1011 1HB LEU 131 HB2 LEU 131 6.424 6.285 -7.022 1012 2HB LEU 131 HB1 LEU 131 5.121 7.056 -6.118 1013 HG LEU 131 HG LEU 131 4.599 4.977 -8.250 1014 1HD1 LEU 131 HD12 LEU 131 5.089 4.638 -5.281 1015 2HD1 LEU 131 HD11 LEU 131 4.260 3.428 -6.261 1016 3HD1 LEU 131 HD13 LEU 131 5.938 3.846 -6.608 1017 1HD2 LEU 131 HD21 LEU 131 2.998 6.192 -5.980 1018 2HD2 LEU 131 HD23 LEU 131 2.665 6.309 -7.708 1019 3HD2 LEU 131 HD22 LEU 131 2.472 4.766 -6.875 1020 H ASN 132 HN ASN 132 4.600 9.584 -6.790 1021 HA ASN 132 HA ASN 132 6.811 11.243 -7.826 1022 1HB ASN 132 HB2 ASN 132 4.378 12.027 -7.311 1023 2HB ASN 132 HB1 ASN 132 4.915 12.058 -5.631 1024 1HD2 ASN 132 HD22 ASN 132 7.344 14.698 -6.276 1025 2HD2 ASN 132 HD21 ASN 132 7.203 13.247 -5.406 1026 H TRP 133 HN TRP 133 8.599 10.064 -6.901 1027 HA TRP 133 HA TRP 133 8.789 9.595 -4.044 1028 1HB TRP 133 HB2 TRP 133 10.926 9.650 -6.196 1029 2HB TRP 133 HB1 TRP 133 11.169 9.075 -4.547 1030 HD1 TRP 133 HD1 TRP 133 9.757 8.072 -7.881 1031 HE1 TRP 133 HE1 TRP 133 8.879 5.650 -7.757 1032 HE3 TRP 133 HE3 TRP 133 10.025 7.293 -2.841 1033 HZ2 TRP 133 HZ2 TRP 133 8.359 3.648 -5.781 1034 HZ3 TRP 133 HZ3 TRP 133 9.334 5.123 -1.865 1035 HH2 TRP 133 HH2 TRP 133 8.502 3.301 -3.327 1036 H ASP 134 HN ASP 134 9.286 12.338 -6.061 1037 HA ASP 134 HA ASP 134 11.245 13.685 -4.390 1038 1HB ASP 134 HB2 ASP 134 10.682 14.154 -6.865 1039 2HB ASP 134 HB1 ASP 134 9.298 15.057 -6.248 1040 H ASP 135 HN ASP 135 8.325 12.717 -3.493 1041 HA ASP 135 HA ASP 135 7.854 15.142 -1.814 1042 1HB ASP 135 HB2 ASP 135 5.877 13.551 -3.437 1043 2HB ASP 135 HB1 ASP 135 5.356 14.390 -1.976 1044 H PHE 136 HN PHE 136 9.259 12.560 -1.328 1045 HA PHE 136 HA PHE 136 7.753 11.799 1.114 1046 1HB PHE 136 HB2 PHE 136 8.690 9.873 -1.029 1047 2HB PHE 136 HB1 PHE 136 8.262 9.367 0.606 1048 HD1 PHE 136 HD1 PHE 136 5.928 10.201 1.488 1049 HD2 PHE 136 HD2 PHE 136 7.019 9.990 -2.661 1050 HE1 PHE 136 HE1 PHE 136 3.530 10.188 0.859 1051 HE2 PHE 136 HE2 PHE 136 4.621 9.978 -3.291 1052 HZ PHE 136 HZ PHE 136 2.876 10.076 -1.531 1053 H THR 137 HN THR 137 9.279 10.102 2.346 1054 HA THR 137 HA THR 137 12.145 10.673 1.938 1055 HB THR 137 HB THR 137 10.881 11.297 4.614 1056 HG1 THR 137 HG1 THR 137 11.313 13.519 3.870 1057 1HG2 THR 137 HG22 THR 137 13.358 10.726 4.362 1058 2HG2 THR 137 HG21 THR 137 13.508 12.220 3.437 1059 3HG2 THR 137 HG23 THR 137 12.997 12.275 5.124 1060 H LYS 138 HN LYS 138 13.403 8.986 2.687 1061 HA LYS 138 HA LYS 138 12.014 6.573 3.585 1062 1HB LYS 138 HB2 LYS 138 14.027 6.665 1.996 1063 2HB LYS 138 HB1 LYS 138 15.007 6.973 3.429 1064 1HG LYS 138 HG2 LYS 138 13.999 4.883 4.446 1065 2HG LYS 138 HG1 LYS 138 13.290 4.542 2.867 1066 1HD LYS 138 HD2 LYS 138 16.251 5.031 3.256 1067 2HD LYS 138 HD1 LYS 138 15.533 3.422 3.326 1068 1HE LYS 138 HE2 LYS 138 14.527 3.897 1.039 1069 2HE LYS 138 HE1 LYS 138 15.549 5.332 0.979 1070 1HZ LYS 138 HZ3 LYS 138 17.479 3.875 1.354 1071 2HZ LYS 138 HZ2 LYS 138 16.458 2.520 1.268 1072 3HZ LYS 138 HZ1 LYS 138 16.665 3.520 -0.090 1073 H VAL 139 HN VAL 139 11.593 6.167 5.691 1074 HA VAL 139 HA VAL 139 13.131 7.630 7.773 1075 HB VAL 139 HB VAL 139 11.316 6.809 9.296 1076 1HG1 VAL 139 HG11 VAL 139 10.470 8.287 6.786 1077 2HG1 VAL 139 HG13 VAL 139 9.521 8.223 8.271 1078 3HG1 VAL 139 HG12 VAL 139 11.101 9.006 8.268 1079 1HG2 VAL 139 HG22 VAL 139 10.751 4.767 8.023 1080 2HG2 VAL 139 HG21 VAL 139 9.325 5.778 8.257 1081 3HG2 VAL 139 HG23 VAL 139 10.148 5.761 6.698 1082 H SER 140 HN SER 140 12.392 4.378 6.630 1083 HA SER 140 HA SER 140 14.665 3.342 8.206 1084 1HB SER 140 HB2 SER 140 12.576 3.118 9.631 1085 2HB SER 140 HB1 SER 140 11.942 2.029 8.400 1086 HG SER 140 HG SER 140 14.476 1.679 9.615 1087 H SER 141 HN SER 141 14.853 0.852 7.642 1088 HA SER 141 HA SER 141 13.764 0.045 5.061 1089 1HB SER 141 HB2 SER 141 15.720 1.729 4.629 1090 2HB SER 141 HB1 SER 141 16.755 0.388 5.110 1091 HG SER 141 HG SER 141 15.915 -0.827 3.448 1092 H ARG 142 HN ARG 142 13.431 -2.083 5.443 1093 HA ARG 142 HA ARG 142 15.248 -3.538 7.281 1094 1HB ARG 142 HB2 ARG 142 12.678 -3.633 7.420 1095 2HB ARG 142 HB1 ARG 142 12.756 -4.639 5.973 1096 1HG ARG 142 HG2 ARG 142 14.131 -6.276 7.108 1097 2HG ARG 142 HG1 ARG 142 14.285 -5.232 8.522 1098 1HD ARG 142 HD2 ARG 142 11.973 -5.477 9.073 1099 2HD ARG 142 HD1 ARG 142 11.608 -6.214 7.513 1100 HE ARG 142 HE ARG 142 13.530 -7.675 9.211 1101 1HH1 ARG 142 HH21 ARG 142 10.272 -7.275 8.076 1102 2HH1 ARG 142 HH22 ARG 142 9.796 -8.884 8.508 1103 1HH2 ARG 142 HH11 ARG 142 12.903 -9.761 9.768 1104 2HH2 ARG 142 HH12 ARG 142 11.280 -10.283 9.462 1105 H THR 143 HN THR 143 17.023 -4.326 6.236 1106 HA THR 143 HA THR 143 16.783 -5.290 3.447 1107 HB THR 143 HB THR 143 19.281 -5.303 5.148 1108 HG1 THR 143 HG1 THR 143 18.872 -3.224 5.239 1109 1HG2 THR 143 HG23 THR 143 19.059 -6.447 2.836 1110 2HG2 THR 143 HG22 THR 143 19.010 -4.808 2.187 1111 3HG2 THR 143 HG21 THR 143 20.424 -5.360 3.086 1112 H VAL 144 HN VAL 144 17.125 -7.454 2.863 1113 HA VAL 144 HA VAL 144 17.704 -9.426 4.994 1114 HB VAL 144 HB VAL 144 15.247 -9.183 5.018 1115 1HG1 VAL 144 HG13 VAL 144 15.117 -8.426 2.603 1116 2HG1 VAL 144 HG12 VAL 144 15.307 -10.117 2.139 1117 3HG1 VAL 144 HG11 VAL 144 13.900 -9.613 3.075 1118 1HG2 VAL 144 HG22 VAL 144 16.452 -11.452 5.251 1119 2HG2 VAL 144 HG21 VAL 144 14.726 -11.497 4.894 1120 3HG2 VAL 144 HG23 VAL 144 15.899 -11.774 3.607 1121 H GLU 145 HN GLU 145 19.080 -10.934 4.187 1122 HA GLU 145 HA GLU 145 19.403 -11.091 1.229 1123 1HB GLU 145 HB2 GLU 145 21.204 -11.782 3.555 1124 2HB GLU 145 HB1 GLU 145 21.547 -12.346 1.919 1125 1HG GLU 145 HG2 GLU 145 22.743 -10.312 2.084 1126 2HG GLU 145 HG1 GLU 145 21.270 -9.875 1.215 1127 H ASP 146 HN ASP 146 18.438 -12.792 0.254 1128 HA ASP 146 HA ASP 146 17.463 -15.070 1.810 1129 1HB ASP 146 HB2 ASP 146 16.392 -13.944 -0.298 1130 2HB ASP 146 HB1 ASP 146 17.508 -14.972 -1.197 1131 H THR 147 HN THR 147 17.868 -17.241 0.184 1132 HA THR 147 HA THR 147 20.605 -17.962 0.802 1133 HB THR 147 HB THR 147 19.928 -20.030 -0.646 1134 HG1 THR 147 HG1 THR 147 18.147 -18.793 -1.577 1135 1HG2 THR 147 HG23 THR 147 19.952 -19.807 1.890 1136 2HG2 THR 147 HG22 THR 147 18.233 -19.427 1.784 1137 3HG2 THR 147 HG21 THR 147 18.823 -20.998 1.242 1138 H ASN 148 HN ASN 148 18.844 -17.250 -2.213 1139 HA ASN 148 HA ASN 148 21.426 -17.334 -3.690 1140 1HB ASN 148 HB2 ASN 148 19.378 -18.581 -4.544 1141 2HB ASN 148 HB1 ASN 148 18.648 -17.005 -4.848 1142 1HD2 ASN 148 HD22 ASN 148 21.514 -18.418 -7.361 1143 2HD2 ASN 148 HD21 ASN 148 21.047 -19.298 -5.987 1144 HA PRO 149 HA PRO 149 21.992 -12.915 -3.603 1145 1HB PRO 149 HB2 PRO 149 22.676 -12.905 -6.435 1146 2HB PRO 149 HB1 PRO 149 23.715 -12.608 -5.035 1147 1HG PRO 149 HG2 PRO 149 23.552 -14.961 -6.660 1148 2HG PRO 149 HG1 PRO 149 24.625 -14.641 -5.291 1149 1HD PRO 149 HD2 PRO 149 22.517 -16.488 -5.338 1150 2HD PRO 149 HD1 PRO 149 23.373 -15.913 -3.899 1151 H ALA 150 HN ALA 150 20.443 -14.216 -6.559 1152 HA ALA 150 HA ALA 150 19.040 -11.826 -7.252 1153 1HB ALA 150 HB2 ALA 150 18.637 -14.745 -7.875 1154 2HB ALA 150 HB1 ALA 150 17.453 -13.550 -8.401 1155 3HB ALA 150 HB3 ALA 150 19.123 -13.441 -8.958 1156 H LEU 151 HN LEU 151 18.242 -14.496 -5.077 1157 HA LEU 151 HA LEU 151 15.502 -13.671 -4.627 1158 1HB LEU 151 HB2 LEU 151 17.410 -15.521 -3.200 1159 2HB LEU 151 HB1 LEU 151 15.824 -15.151 -2.521 1160 HG LEU 151 HG LEU 151 16.267 -16.211 -5.327 1161 1HD1 LEU 151 HD11 LEU 151 16.846 -17.766 -3.350 1162 2HD1 LEU 151 HD13 LEU 151 15.121 -17.735 -2.984 1163 3HD1 LEU 151 HD12 LEU 151 15.683 -18.367 -4.532 1164 1HD2 LEU 151 HD23 LEU 151 13.846 -15.582 -3.632 1165 2HD2 LEU 151 HD22 LEU 151 14.204 -15.048 -5.275 1166 3HD2 LEU 151 HD21 LEU 151 13.754 -16.726 -4.971 1167 H THR 152 HN THR 152 18.193 -11.980 -3.984 1168 HA THR 152 HA THR 152 17.679 -11.206 -1.208 1169 HB THR 152 HB THR 152 19.407 -9.789 -3.254 1170 HG1 THR 152 HG1 THR 152 19.704 -12.196 -2.629 1171 1HG2 THR 152 HG21 THR 152 19.118 -9.740 -0.264 1172 2HG2 THR 152 HG23 THR 152 20.669 -9.344 -1.003 1173 3HG2 THR 152 HG22 THR 152 19.239 -8.389 -1.390 1174 H HIS 153 HN HIS 153 16.739 -9.243 -0.531 1175 HA HIS 153 HA HIS 153 15.802 -7.271 -2.473 1176 1HB HIS 153 HB2 HIS 153 13.386 -7.564 -1.854 1177 2HB HIS 153 HB1 HIS 153 14.041 -8.916 -2.777 1178 HD1 HIS 153 HD1 HIS 153 14.940 -10.989 -1.203 1179 HD2 HIS 153 HD2 HIS 153 12.241 -8.334 0.546 1180 HE1 HIS 153 HE1 HIS 153 13.995 -12.164 0.832 1181 H THR 154 HN THR 154 14.518 -5.522 -1.296 1182 HA THR 154 HA THR 154 15.098 -5.434 1.622 1183 HB THR 154 HB THR 154 15.758 -3.153 -0.263 1184 HG1 THR 154 HG1 THR 154 17.064 -5.301 -0.128 1185 1HG2 THR 154 HG23 THR 154 15.908 -3.624 2.688 1186 2HG2 THR 154 HG22 THR 154 17.142 -2.616 1.933 1187 3HG2 THR 154 HG21 THR 154 15.442 -2.169 1.808 1188 H TYR 155 HN TYR 155 13.509 -4.367 2.780 1189 HA TYR 155 HA TYR 155 11.151 -3.448 1.223 1190 1HB TYR 155 HB2 TYR 155 11.478 -4.055 4.178 1191 2HB TYR 155 HB1 TYR 155 9.965 -3.587 3.401 1192 HD1 TYR 155 HD1 TYR 155 12.489 -6.245 3.760 1193 HD2 TYR 155 HD2 TYR 155 8.793 -5.106 1.890 1194 HE1 TYR 155 HE1 TYR 155 12.089 -8.606 3.114 1195 HE2 TYR 155 HE2 TYR 155 8.392 -7.468 1.245 1196 HH TYR 155 HH TYR 155 9.702 -9.515 0.864 1197 H GLU 156 HN GLU 156 11.594 -1.325 0.649 1198 HA GLU 156 HA GLU 156 12.777 0.554 2.560 1199 1HB GLU 156 HB2 GLU 156 11.663 0.823 -0.238 1200 2HB GLU 156 HB1 GLU 156 12.192 2.223 0.697 1201 1HG GLU 156 HG2 GLU 156 14.431 1.339 0.886 1202 2HG GLU 156 HG1 GLU 156 13.938 -0.195 0.171 1203 H VAL 157 HN VAL 157 11.651 1.863 3.930 1204 HA VAL 157 HA VAL 157 8.676 1.959 3.613 1205 HB VAL 157 HB VAL 157 10.282 2.284 6.165 1206 1HG1 VAL 157 HG12 VAL 157 7.336 2.129 5.507 1207 2HG1 VAL 157 HG11 VAL 157 7.948 1.793 7.127 1208 3HG1 VAL 157 HG13 VAL 157 8.188 3.384 6.407 1209 1HG2 VAL 157 HG23 VAL 157 9.051 -0.100 4.816 1210 2HG2 VAL 157 HG22 VAL 157 10.573 0.018 5.699 1211 3HG2 VAL 157 HG21 VAL 157 9.045 -0.016 6.578 1212 H TRP 158 HN TRP 158 8.330 3.897 2.578 1213 HA TRP 158 HA TRP 158 9.807 6.300 3.534 1214 1HB TRP 158 HB2 TRP 158 8.096 5.828 1.075 1215 2HB TRP 158 HB1 TRP 158 8.830 7.377 1.488 1216 HD1 TRP 158 HD1 TRP 158 10.043 3.711 1.126 1217 HE1 TRP 158 HE1 TRP 158 12.345 3.747 -0.036 1218 HE3 TRP 158 HE3 TRP 158 10.680 8.749 0.584 1219 HZ2 TRP 158 HZ2 TRP 158 14.208 5.660 -1.061 1220 HZ3 TRP 158 HZ3 TRP 158 12.725 9.650 -0.487 1221 HH2 TRP 158 HH2 TRP 158 14.488 8.113 -1.310 1222 H GLN 159 HN GLN 159 8.459 8.328 3.735 1223 HA GLN 159 HA GLN 159 5.613 7.865 4.413 1224 1HB GLN 159 HB2 GLN 159 7.738 8.746 6.370 1225 2HB GLN 159 HB1 GLN 159 6.039 9.159 6.605 1226 1HG GLN 159 HG2 GLN 159 5.559 6.652 6.292 1227 2HG GLN 159 HG1 GLN 159 7.293 6.413 6.507 1228 1HE2 GLN 159 HE22 GLN 159 4.977 7.430 9.716 1229 2HE2 GLN 159 HE21 GLN 159 4.325 7.457 8.149 1230 H LYS 160 HN LYS 160 4.370 9.760 4.229 1231 HA LYS 160 HA LYS 160 5.489 11.875 2.604 1232 1HB LYS 160 HB2 LYS 160 3.051 11.035 2.662 1233 2HB LYS 160 HB1 LYS 160 2.873 12.036 4.105 1234 1HG LYS 160 HG2 LYS 160 3.892 13.932 2.658 1235 2HG LYS 160 HG1 LYS 160 3.489 12.902 1.285 1236 1HD LYS 160 HD2 LYS 160 1.165 12.946 1.799 1237 2HD LYS 160 HD1 LYS 160 1.458 13.613 3.406 1238 1HE LYS 160 HE2 LYS 160 2.329 15.691 2.366 1239 2HE LYS 160 HE1 LYS 160 1.971 15.027 0.772 1240 1HZ LYS 160 HZ3 LYS 160 -0.369 14.690 1.980 1241 2HZ LYS 160 HZ2 LYS 160 0.171 16.081 2.792 1242 3HZ LYS 160 HZ1 LYS 160 0.029 16.083 1.099 1243 H LYS 161 HN LYS 161 7.003 13.164 3.592 1244 HA LYS 161 HA LYS 161 6.124 14.646 6.023 1245 1HB LYS 161 HB2 LYS 161 8.738 13.175 5.631 1246 2HB LYS 161 HB1 LYS 161 8.555 14.470 6.815 1247 1HG LYS 161 HG2 LYS 161 6.931 13.264 8.051 1248 2HG LYS 161 HG1 LYS 161 6.652 12.128 6.730 1249 1HD LYS 161 HD2 LYS 161 8.004 10.917 8.246 1250 2HD LYS 161 HD1 LYS 161 9.137 11.480 7.018 1251 1HE LYS 161 HE2 LYS 161 8.594 13.063 9.533 1252 2HE LYS 161 HE1 LYS 161 9.838 11.816 9.467 1253 1HZ LYS 161 HZ3 LYS 161 10.332 13.231 7.237 1254 2HZ LYS 161 HZ2 LYS 161 9.807 14.452 8.296 1255 3HZ LYS 161 HZ1 LYS 161 11.124 13.464 8.718 1256 H ALA 162 HN ALA 162 6.277 16.788 5.615 1257 HA ALA 162 HA ALA 162 8.590 17.921 4.236 1258 1HB ALA 162 HB1 ALA 162 5.853 17.948 2.932 1259 2HB ALA 162 HB3 ALA 162 7.171 19.021 2.459 1260 3HB ALA 162 HB2 ALA 162 7.342 17.276 2.268 1261 1H9 TMQ 170 H91 TMQ 170 0.481 -10.105 -6.823 1262 2H9 TMQ 170 H92 TMQ 170 -0.607 -10.776 -5.597 1263 HN1 TMQ 170 H1N TMQ 170 1.389 -12.208 -7.111 1264 1H17 TMQ 170 HM1 TMQ 170 -1.072 -8.216 -3.690 1265 2H17 TMQ 170 HM2 TMQ 170 -0.886 -8.818 -5.336 1266 3H17 TMQ 170 HM3 TMQ 170 -0.210 -7.251 -4.896 1267 1H21 TMQ 170 HW11 TMQ 170 -0.147 -12.632 -1.713 1268 2H21 TMQ 170 HW12 TMQ 170 -1.587 -12.914 -0.725 1269 3H21 TMQ 170 HW13 TMQ 170 -1.731 -12.085 -2.282 1270 1H22 TMQ 170 HI1 TMQ 170 1.137 -17.240 -3.233 1271 2H22 TMQ 170 HI2 TMQ 170 0.499 -16.241 -1.918 1272 3H22 TMQ 170 HI3 TMQ 170 -0.015 -17.927 -2.078 1273 1H23 TMQ 170 HW21 TMQ 170 2.505 -16.514 -6.351 1274 2H23 TMQ 170 HW22 TMQ 170 1.362 -16.514 -7.704 1275 3H23 TMQ 170 HW23 TMQ 170 1.903 -18.047 -7.000 1276 1HN2 TMQ 170 HN21 TMQ 170 5.302 -7.654 0.020 1277 2HN2 TMQ 170 HN22 TMQ 170 4.283 -6.300 0.377 1278 1HN5 TMQ 170 HN41 TMQ 170 0.407 -5.553 -1.796 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.227 -6.539 -3.039 1280 HN TMQ 170 H1 TMQ 170 4.691 -9.141 -1.607 1281 H7 TMQ 170 H7 TMQ 170 2.775 -11.692 -5.024 1282 H8 TMQ 170 H8 TMQ 170 4.258 -10.828 -3.271 1283 H12 TMQ 170 HP2 TMQ 170 -0.502 -12.065 -3.983 1284 H16 TMQ 170 HP6 TMQ 170 1.224 -14.581 -7.043 No H/Q in entry = 1284 Start of MODEL 13 1 1H THR 1 HT3 THR 1 -2.976 6.500 5.315 2 2H THR 1 HT2 THR 1 -2.771 7.310 3.837 3 3H THR 1 HT1 THR 1 -4.332 7.017 4.440 4 HA THR 1 HA THR 1 -4.044 4.648 4.171 5 HB THR 1 HB THR 1 -3.163 5.989 1.612 6 HG1 THR 1 HG1 THR 1 -5.472 6.409 1.402 7 1HG2 THR 1 HG23 THR 1 -4.875 3.624 2.366 8 2HG2 THR 1 HG22 THR 1 -4.985 4.368 0.771 9 3HG2 THR 1 HG21 THR 1 -3.461 3.663 1.312 10 H ALA 2 HN ALA 2 -2.662 2.998 2.941 11 HA ALA 2 HA ALA 2 0.244 3.650 3.077 12 1HB ALA 2 HB3 ALA 2 -0.700 2.431 5.175 13 2HB ALA 2 HB2 ALA 2 -0.803 1.023 4.119 14 3HB ALA 2 HB1 ALA 2 0.758 1.787 4.422 15 H PHE 3 HN PHE 3 1.350 2.837 1.348 16 HA PHE 3 HA PHE 3 -0.158 1.094 -0.538 17 1HB PHE 3 HB2 PHE 3 2.131 3.024 -0.831 18 2HB PHE 3 HB1 PHE 3 1.886 1.762 -2.039 19 HD1 PHE 3 HD2 PHE 3 -0.399 3.995 -0.055 20 HD2 PHE 3 HD1 PHE 3 0.784 2.549 -3.923 21 HE1 PHE 3 HE2 PHE 3 -2.196 5.341 -1.109 22 HE2 PHE 3 HE1 PHE 3 -1.012 3.896 -4.976 23 HZ PHE 3 HZ PHE 3 -2.502 5.291 -3.569 24 H LEU 4 HN LEU 4 1.079 -0.664 -1.607 25 HA LEU 4 HA LEU 4 3.593 -1.589 -0.518 26 1HB LEU 4 HB2 LEU 4 2.050 -2.108 1.388 27 2HB LEU 4 HB1 LEU 4 1.119 -3.141 0.303 28 HG LEU 4 HG LEU 4 3.458 -4.249 -0.181 29 1HD1 LEU 4 HD13 LEU 4 3.872 -2.673 2.343 30 2HD1 LEU 4 HD12 LEU 4 4.678 -4.229 2.149 31 3HD1 LEU 4 HD11 LEU 4 4.982 -2.929 0.996 32 1HD2 LEU 4 HD23 LEU 4 1.836 -4.626 2.353 33 2HD2 LEU 4 HD22 LEU 4 1.635 -5.480 0.821 34 3HD2 LEU 4 HD21 LEU 4 3.069 -5.764 1.809 35 H TRP 5 HN TRP 5 4.363 -2.263 -2.475 36 HA TRP 5 HA TRP 5 2.816 -4.358 -3.904 37 1HB TRP 5 HB2 TRP 5 3.247 -3.271 -6.079 38 2HB TRP 5 HB1 TRP 5 2.285 -2.229 -5.034 39 HD1 TRP 5 HD1 TRP 5 5.340 -2.248 -7.082 40 HE1 TRP 5 HE1 TRP 5 6.756 -0.140 -6.644 41 HE3 TRP 5 HE3 TRP 5 3.047 -0.503 -2.863 42 HZ2 TRP 5 HZ2 TRP 5 6.899 2.001 -4.757 43 HZ3 TRP 5 HZ3 TRP 5 3.847 1.570 -1.768 44 HH2 TRP 5 HH2 TRP 5 5.768 2.824 -2.708 45 H ALA 6 HN ALA 6 4.133 -5.851 -5.019 46 HA ALA 6 HA ALA 6 6.990 -5.787 -4.222 47 1HB ALA 6 HB2 ALA 6 5.572 -7.841 -3.850 48 2HB ALA 6 HB1 ALA 6 5.454 -8.009 -5.602 49 3HB ALA 6 HB3 ALA 6 7.023 -8.137 -4.808 50 H GLN 7 HN GLN 7 8.308 -4.772 -5.656 51 HA GLN 7 HA GLN 7 7.936 -5.376 -8.559 52 1HB GLN 7 HB2 GLN 7 8.647 -3.016 -9.034 53 2HB GLN 7 HB1 GLN 7 7.089 -3.124 -8.212 54 1HG GLN 7 HG2 GLN 7 7.972 -2.403 -6.164 55 2HG GLN 7 HG1 GLN 7 9.621 -2.841 -6.613 56 1HE2 GLN 7 HE22 GLN 7 10.290 0.435 -7.685 57 2HE2 GLN 7 HE21 GLN 7 10.852 -0.994 -6.959 58 H ASP 8 HN ASP 8 9.898 -5.458 -9.762 59 HA ASP 8 HA ASP 8 12.312 -5.864 -8.073 60 1HB ASP 8 HB2 ASP 8 13.231 -6.936 -10.173 61 2HB ASP 8 HB1 ASP 8 11.819 -7.746 -9.496 62 H ARG 9 HN ARG 9 14.426 -5.181 -9.224 63 HA ARG 9 HA ARG 9 14.424 -2.352 -9.585 64 1HB ARG 9 HB2 ARG 9 16.766 -2.696 -10.418 65 2HB ARG 9 HB1 ARG 9 16.444 -3.509 -8.886 66 1HG ARG 9 HG2 ARG 9 16.243 -5.636 -9.935 67 2HG ARG 9 HG1 ARG 9 16.128 -4.917 -11.541 68 1HD ARG 9 HD2 ARG 9 18.360 -5.713 -11.401 69 2HD ARG 9 HD1 ARG 9 18.484 -3.978 -11.104 70 HE ARG 9 HE ARG 9 18.874 -6.112 -9.098 71 1HH1 ARG 9 HH21 ARG 9 18.479 -2.737 -9.821 72 2HH1 ARG 9 HH22 ARG 9 19.160 -2.213 -8.317 73 1HH2 ARG 9 HH11 ARG 9 19.755 -5.420 -7.150 74 2HH2 ARG 9 HH12 ARG 9 19.878 -3.726 -6.812 75 H ASP 10 HN ASP 10 13.716 -4.912 -11.786 76 HA ASP 10 HA ASP 10 14.373 -3.445 -14.220 77 1HB ASP 10 HB2 ASP 10 12.795 -5.960 -13.654 78 2HB ASP 10 HB1 ASP 10 12.935 -5.287 -15.278 79 H GLY 11 HN GLY 11 12.328 -2.479 -12.037 80 1HA GLY 11 HA2 GLY 11 10.392 -1.155 -12.066 81 2HA GLY 11 HA1 GLY 11 10.653 -0.983 -13.803 82 H LEU 12 HN LEU 12 10.174 -4.054 -12.122 83 HA LEU 12 HA LEU 12 7.689 -4.438 -13.734 84 1HB LEU 12 HB2 LEU 12 9.837 -6.024 -13.768 85 2HB LEU 12 HB1 LEU 12 9.041 -6.717 -12.354 86 HG LEU 12 HG LEU 12 6.915 -6.793 -13.796 87 1HD1 LEU 12 HD13 LEU 12 7.876 -5.262 -15.552 88 2HD1 LEU 12 HD12 LEU 12 8.966 -6.568 -16.017 89 3HD1 LEU 12 HD11 LEU 12 7.223 -6.768 -16.197 90 1HD2 LEU 12 HD22 LEU 12 8.557 -8.712 -13.203 91 2HD2 LEU 12 HD21 LEU 12 7.456 -8.966 -14.558 92 3HD2 LEU 12 HD23 LEU 12 9.140 -8.534 -14.858 93 H ILE 13 HN ILE 13 6.016 -5.853 -12.610 94 HA ILE 13 HA ILE 13 6.020 -5.548 -9.652 95 HB ILE 13 HB ILE 13 3.660 -4.702 -9.758 96 1HG1 ILE 13 HG12 ILE 13 4.298 -4.273 -12.695 97 2HG1 ILE 13 HG11 ILE 13 3.248 -5.556 -12.090 98 1HG2 ILE 13 HG22 ILE 13 5.830 -3.065 -11.099 99 2HG2 ILE 13 HG21 ILE 13 4.305 -2.389 -10.527 100 3HG2 ILE 13 HG23 ILE 13 5.437 -3.104 -9.380 101 1HD1 ILE 13 HD13 ILE 13 2.724 -2.713 -11.275 102 2HD1 ILE 13 HD12 ILE 13 2.192 -3.274 -12.860 103 3HD1 ILE 13 HD11 ILE 13 1.594 -4.060 -11.400 104 H GLY 14 HN GLY 14 4.736 -7.036 -12.565 105 1HA GLY 14 HA2 GLY 14 4.301 -9.551 -11.179 106 2HA GLY 14 HA1 GLY 14 2.781 -8.762 -11.606 107 H LYS 15 HN LYS 15 2.613 -10.810 -12.964 108 HA LYS 15 HA LYS 15 3.130 -10.179 -15.724 109 1HB LYS 15 HB2 LYS 15 5.429 -10.911 -14.922 110 2HB LYS 15 HB1 LYS 15 4.735 -12.510 -14.644 111 1HG LYS 15 HG2 LYS 15 3.946 -12.448 -17.070 112 2HG LYS 15 HG1 LYS 15 4.977 -11.030 -17.272 113 1HD LYS 15 HD2 LYS 15 6.896 -12.417 -16.377 114 2HD LYS 15 HD1 LYS 15 5.836 -13.823 -16.478 115 1HE LYS 15 HE2 LYS 15 5.709 -13.716 -18.823 116 2HE LYS 15 HE1 LYS 15 6.231 -12.032 -18.866 117 1HZ LYS 15 HZ3 LYS 15 8.402 -12.840 -17.952 118 2HZ LYS 15 HZ2 LYS 15 7.869 -14.424 -18.257 119 3HZ LYS 15 HZ1 LYS 15 8.063 -13.327 -19.540 120 H ASP 16 HN ASP 16 1.378 -11.048 -16.696 121 HA ASP 16 HA ASP 16 -0.411 -12.485 -17.167 122 1HB ASP 16 HB2 ASP 16 1.555 -14.487 -16.018 123 2HB ASP 16 HB1 ASP 16 0.052 -14.928 -16.828 124 H GLY 17 HN GLY 17 -0.365 -11.098 -14.597 125 1HA GLY 17 HA2 GLY 17 -2.051 -11.086 -12.892 126 2HA GLY 17 HA1 GLY 17 -2.328 -12.802 -13.187 127 H HIS 18 HN HIS 18 -0.205 -14.155 -12.708 128 HA HIS 18 HA HIS 18 0.408 -13.718 -9.894 129 1HB HIS 18 HB2 HIS 18 1.840 -15.761 -10.182 130 2HB HIS 18 HB1 HIS 18 0.173 -15.999 -10.703 131 HD1 HIS 18 HD1 HIS 18 3.671 -15.657 -12.023 132 HD2 HIS 18 HD2 HIS 18 -0.166 -16.312 -13.516 133 HE1 HIS 18 HE1 HIS 18 3.952 -16.347 -14.443 134 H LEU 19 HN LEU 19 2.901 -14.056 -9.317 135 HA LEU 19 HA LEU 19 4.292 -11.772 -10.537 136 1HB LEU 19 HB2 LEU 19 4.894 -13.604 -8.209 137 2HB LEU 19 HB1 LEU 19 6.066 -12.422 -8.791 138 HG LEU 19 HG LEU 19 3.239 -11.594 -8.159 139 1HD1 LEU 19 HD11 LEU 19 4.319 -12.800 -6.191 140 2HD1 LEU 19 HD13 LEU 19 5.537 -11.525 -6.190 141 3HD1 LEU 19 HD12 LEU 19 3.845 -11.128 -5.887 142 1HD2 LEU 19 HD21 LEU 19 5.901 -10.301 -8.618 143 2HD2 LEU 19 HD23 LEU 19 4.307 -9.818 -9.199 144 3HD2 LEU 19 HD22 LEU 19 4.769 -9.505 -7.526 145 HA PRO 20 HA PRO 20 6.943 -14.204 -13.165 146 1HB PRO 20 HB2 PRO 20 9.122 -12.455 -13.225 147 2HB PRO 20 HB1 PRO 20 7.689 -12.356 -14.258 148 1HG PRO 20 HG2 PRO 20 8.500 -10.568 -12.165 149 2HG PRO 20 HG1 PRO 20 7.107 -10.439 -13.246 150 1HD PRO 20 HD2 PRO 20 7.186 -11.282 -10.455 151 2HD PRO 20 HD1 PRO 20 5.787 -10.870 -11.460 152 H TRP 21 HN TRP 21 8.178 -13.044 -10.087 153 HA TRP 21 HA TRP 21 10.297 -15.149 -10.153 154 1HB TRP 21 HB2 TRP 21 11.278 -13.880 -8.223 155 2HB TRP 21 HB1 TRP 21 11.192 -12.932 -9.707 156 HD1 TRP 21 HD1 TRP 21 9.403 -13.376 -6.339 157 HE1 TRP 21 HE1 TRP 21 8.094 -11.216 -5.816 158 HE3 TRP 21 HE3 TRP 21 10.141 -10.820 -10.698 159 HZ2 TRP 21 HZ2 TRP 21 7.446 -8.734 -7.081 160 HZ3 TRP 21 HZ3 TRP 21 9.168 -8.564 -11.013 161 HH2 TRP 21 HH2 TRP 21 7.823 -7.518 -9.211 162 H HIS 22 HN HIS 22 10.718 -15.977 -7.766 163 HA HIS 22 HA HIS 22 8.073 -16.542 -6.487 164 1HB HIS 22 HB2 HIS 22 9.118 -18.462 -7.850 165 2HB HIS 22 HB1 HIS 22 10.349 -18.527 -6.589 166 HD1 HIS 22 HD1 HIS 22 6.528 -18.292 -6.592 167 HD2 HIS 22 HD2 HIS 22 9.602 -20.363 -4.683 168 HE1 HIS 22 HE1 HIS 22 5.419 -19.852 -4.934 169 H LEU 23 HN LEU 23 8.313 -15.156 -4.735 170 HA LEU 23 HA LEU 23 10.714 -15.611 -3.007 171 1HB LEU 23 HB2 LEU 23 10.394 -13.289 -4.064 172 2HB LEU 23 HB1 LEU 23 9.005 -13.116 -2.991 173 HG LEU 23 HG LEU 23 10.506 -13.621 -1.051 174 1HD1 LEU 23 HD13 LEU 23 12.526 -13.693 -3.285 175 2HD1 LEU 23 HD12 LEU 23 13.014 -13.245 -1.651 176 3HD1 LEU 23 HD11 LEU 23 12.308 -14.832 -1.956 177 1HD2 LEU 23 HD21 LEU 23 10.082 -11.255 -2.292 178 2HD2 LEU 23 HD23 LEU 23 11.071 -11.405 -0.840 179 3HD2 LEU 23 HD22 LEU 23 11.838 -11.343 -2.427 180 HA PRO 24 HA PRO 24 7.021 -17.553 -0.871 181 1HB PRO 24 HB2 PRO 24 9.091 -18.712 0.821 182 2HB PRO 24 HB1 PRO 24 7.917 -19.527 -0.221 183 1HG PRO 24 HG2 PRO 24 10.707 -19.092 -0.691 184 2HG PRO 24 HG1 PRO 24 9.541 -19.945 -1.710 185 1HD PRO 24 HD2 PRO 24 10.769 -17.490 -2.297 186 2HD PRO 24 HD1 PRO 24 9.377 -18.194 -3.135 187 H ASP 25 HN ASP 25 9.931 -15.998 0.448 188 HA ASP 25 HA ASP 25 8.934 -15.510 3.081 189 1HB ASP 25 HB2 ASP 25 11.335 -15.183 2.033 190 2HB ASP 25 HB1 ASP 25 10.752 -13.548 1.722 191 H ASP 26 HN ASP 26 8.840 -13.508 0.128 192 HA ASP 26 HA ASP 26 7.497 -11.272 1.302 193 1HB ASP 26 HB2 ASP 26 8.625 -11.244 -0.929 194 2HB ASP 26 HB1 ASP 26 7.324 -12.250 -1.566 195 H LEU 27 HN LEU 27 6.284 -14.238 -0.233 196 HA LEU 27 HA LEU 27 3.514 -13.534 -0.237 197 1HB LEU 27 HB2 LEU 27 4.856 -16.247 -0.036 198 2HB LEU 27 HB1 LEU 27 3.133 -16.008 -0.332 199 HG LEU 27 HG LEU 27 5.328 -14.859 -2.077 200 1HD1 LEU 27 HD12 LEU 27 3.860 -17.464 -2.116 201 2HD1 LEU 27 HD11 LEU 27 4.177 -16.672 -3.660 202 3HD1 LEU 27 HD13 LEU 27 5.517 -17.104 -2.598 203 1HD2 LEU 27 HD22 LEU 27 2.312 -14.941 -2.199 204 2HD2 LEU 27 HD21 LEU 27 3.376 -13.543 -2.343 205 3HD2 LEU 27 HD23 LEU 27 3.280 -14.716 -3.656 206 H HIS 28 HN HIS 28 5.661 -14.539 2.307 207 HA HIS 28 HA HIS 28 3.475 -15.264 4.141 208 1HB HIS 28 HB2 HIS 28 6.478 -15.145 4.343 209 2HB HIS 28 HB1 HIS 28 5.491 -15.285 5.798 210 HD1 HIS 28 HD1 HIS 28 3.450 -17.268 5.329 211 HD2 HIS 28 HD2 HIS 28 7.158 -17.661 3.467 212 HE1 HIS 28 HE1 HIS 28 3.670 -19.707 4.681 213 H TYR 29 HN TYR 29 5.500 -12.503 3.401 214 HA TYR 29 HA TYR 29 4.936 -11.023 5.824 215 1HB TYR 29 HB2 TYR 29 6.850 -10.618 4.164 216 2HB TYR 29 HB1 TYR 29 5.651 -9.825 3.141 217 HD1 TYR 29 HD1 TYR 29 6.467 -9.872 6.811 218 HD2 TYR 29 HD2 TYR 29 5.643 -7.509 3.319 219 HE1 TYR 29 HE1 TYR 29 6.682 -7.801 8.160 220 HE2 TYR 29 HE2 TYR 29 5.859 -5.440 4.668 221 HH TYR 29 HH TYR 29 6.251 -5.563 8.171 222 H PHE 30 HN PHE 30 3.278 -11.503 2.789 223 HA PHE 30 HA PHE 30 1.549 -9.216 2.884 224 1HB PHE 30 HB2 PHE 30 1.921 -10.772 0.903 225 2HB PHE 30 HB1 PHE 30 0.856 -11.921 1.713 226 HD1 PHE 30 HD1 PHE 30 1.030 -8.412 0.446 227 HD2 PHE 30 HD2 PHE 30 -1.491 -11.699 1.579 228 HE1 PHE 30 HE1 PHE 30 -0.948 -7.195 -0.425 229 HE2 PHE 30 HE2 PHE 30 -3.470 -10.482 0.708 230 HZ PHE 30 HZ PHE 30 -3.197 -8.230 -0.294 231 H ARG 31 HN ARG 31 1.134 -12.566 4.048 232 HA ARG 31 HA ARG 31 -1.492 -12.087 5.164 233 1HB ARG 31 HB2 ARG 31 -0.304 -14.340 4.549 234 2HB ARG 31 HB1 ARG 31 0.358 -14.227 6.180 235 1HG ARG 31 HG2 ARG 31 -1.943 -13.999 7.081 236 2HG ARG 31 HG1 ARG 31 -2.585 -14.179 5.448 237 1HD ARG 31 HD2 ARG 31 -2.671 -16.338 6.575 238 2HD ARG 31 HD1 ARG 31 -1.458 -16.404 5.296 239 HE ARG 31 HE ARG 31 -0.027 -15.651 7.557 240 1HH1 ARG 31 HH11 ARG 31 -2.144 -18.267 6.695 241 2HH1 ARG 31 HH12 ARG 31 -1.366 -19.400 7.749 242 1HH2 ARG 31 HH21 ARG 31 0.974 -17.130 8.920 243 2HH2 ARG 31 HH22 ARG 31 0.390 -18.759 9.003 244 H ALA 32 HN ALA 32 1.370 -10.757 6.059 245 HA ALA 32 HA ALA 32 0.864 -10.942 8.987 246 1HB ALA 32 HB2 ALA 32 3.193 -11.285 8.034 247 2HB ALA 32 HB1 ALA 32 3.176 -9.580 7.582 248 3HB ALA 32 HB3 ALA 32 3.075 -10.043 9.281 249 H GLN 33 HN GLN 33 0.907 -8.671 6.291 250 HA GLN 33 HA GLN 33 0.025 -6.501 8.146 251 1HB GLN 33 HB2 GLN 33 1.427 -6.514 5.489 252 2HB GLN 33 HB1 GLN 33 0.477 -5.105 5.961 253 1HG GLN 33 HG2 GLN 33 2.729 -4.712 6.711 254 2HG GLN 33 HG1 GLN 33 1.769 -5.091 8.142 255 1HE2 GLN 33 HE22 GLN 33 4.162 -8.141 6.744 256 2HE2 GLN 33 HE21 GLN 33 3.326 -7.172 5.628 257 H THR 34 HN THR 34 -1.684 -8.694 7.123 258 HA THR 34 HA THR 34 -3.666 -7.014 5.640 259 HB THR 34 HB THR 34 -4.451 -9.218 4.628 260 HG1 THR 34 HG1 THR 34 -1.999 -10.338 4.885 261 1HG2 THR 34 HG21 THR 34 -1.803 -7.925 4.041 262 2HG2 THR 34 HG23 THR 34 -2.340 -9.308 3.087 263 3HG2 THR 34 HG22 THR 34 -3.309 -7.834 3.128 264 H VAL 35 HN VAL 35 -3.051 -9.457 8.087 265 HA VAL 35 HA VAL 35 -5.818 -9.972 8.741 266 HB VAL 35 HB VAL 35 -4.862 -10.908 10.862 267 1HG1 VAL 35 HG11 VAL 35 -4.906 -12.068 8.524 268 2HG1 VAL 35 HG13 VAL 35 -3.160 -11.816 8.549 269 3HG1 VAL 35 HG12 VAL 35 -3.929 -12.787 9.804 270 1HG2 VAL 35 HG21 VAL 35 -2.281 -9.863 9.652 271 2HG2 VAL 35 HG23 VAL 35 -3.014 -9.338 11.168 272 3HG2 VAL 35 HG22 VAL 35 -2.365 -10.972 11.022 273 H GLY 36 HN GLY 36 -7.172 -8.837 10.076 274 1HA GLY 36 HA2 GLY 36 -7.911 -7.194 11.589 275 2HA GLY 36 HA1 GLY 36 -6.238 -7.014 12.122 276 H LYS 37 HN LYS 37 -7.319 -6.655 8.781 277 HA LYS 37 HA LYS 37 -7.291 -3.723 8.925 278 1HB LYS 37 HB2 LYS 37 -5.052 -5.316 7.692 279 2HB LYS 37 HB1 LYS 37 -5.480 -3.733 7.041 280 1HG LYS 37 HG2 LYS 37 -5.317 -2.873 9.455 281 2HG LYS 37 HG1 LYS 37 -4.523 -4.403 9.827 282 1HD LYS 37 HD2 LYS 37 -2.963 -3.860 7.840 283 2HD LYS 37 HD1 LYS 37 -3.595 -2.217 7.965 284 1HE LYS 37 HE2 LYS 37 -2.981 -2.317 10.444 285 2HE LYS 37 HE1 LYS 37 -2.082 -3.786 10.062 286 1HZ LYS 37 HZ3 LYS 37 -0.885 -2.479 8.351 287 2HZ LYS 37 HZ2 LYS 37 -1.655 -1.078 8.927 288 3HZ LYS 37 HZ1 LYS 37 -0.599 -1.947 9.935 289 H ILE 38 HN ILE 38 -7.737 -2.793 6.703 290 HA ILE 38 HA ILE 38 -9.638 -4.568 5.288 291 HB ILE 38 HB ILE 38 -9.080 -1.619 4.852 292 1HG1 ILE 38 HG12 ILE 38 -11.328 -2.884 6.444 293 2HG1 ILE 38 HG11 ILE 38 -9.859 -2.249 7.187 294 1HG2 ILE 38 HG23 ILE 38 -11.266 -3.516 3.970 295 2HG2 ILE 38 HG22 ILE 38 -11.456 -1.764 3.925 296 3HG2 ILE 38 HG21 ILE 38 -10.206 -2.540 2.953 297 1HD1 ILE 38 HD13 ILE 38 -11.434 -0.526 5.295 298 2HD1 ILE 38 HD12 ILE 38 -11.959 -0.693 6.970 299 3HD1 ILE 38 HD11 ILE 38 -10.361 -0.041 6.608 300 H MET 39 HN MET 39 -8.747 -5.777 3.685 301 HA MET 39 HA MET 39 -6.371 -4.812 2.229 302 1HB MET 39 HB2 MET 39 -6.732 -7.229 2.999 303 2HB MET 39 HB1 MET 39 -7.921 -7.355 1.702 304 1HG MET 39 HG2 MET 39 -6.158 -6.613 0.084 305 2HG MET 39 HG1 MET 39 -4.985 -6.663 1.400 306 1HE MET 39 HE2 MET 39 -7.737 -8.244 -0.320 307 2HE MET 39 HE1 MET 39 -7.172 -9.823 -0.858 308 3HE MET 39 HE3 MET 39 -7.955 -9.651 0.718 309 H VAL 40 HN VAL 40 -6.749 -3.401 0.591 310 HA VAL 40 HA VAL 40 -9.263 -3.647 -0.980 311 HB VAL 40 HB VAL 40 -7.162 -1.462 -1.068 312 1HG1 VAL 40 HG11 VAL 40 -8.653 -1.692 -3.062 313 2HG1 VAL 40 HG13 VAL 40 -10.049 -1.508 -2.000 314 3HG1 VAL 40 HG12 VAL 40 -8.905 -0.178 -2.192 315 1HG2 VAL 40 HG21 VAL 40 -8.207 -1.660 1.175 316 2HG2 VAL 40 HG23 VAL 40 -8.712 -0.182 0.356 317 3HG2 VAL 40 HG22 VAL 40 -9.802 -1.567 0.429 318 H VAL 41 HN VAL 41 -9.177 -4.688 -2.901 319 HA VAL 41 HA VAL 41 -6.650 -4.585 -4.478 320 HB VAL 41 HB VAL 41 -6.978 -7.006 -5.047 321 1HG1 VAL 41 HG12 VAL 41 -6.602 -6.287 -2.126 322 2HG1 VAL 41 HG11 VAL 41 -6.196 -7.856 -2.820 323 3HG1 VAL 41 HG13 VAL 41 -5.342 -6.408 -3.353 324 1HG2 VAL 41 HG23 VAL 41 -9.465 -6.846 -4.270 325 2HG2 VAL 41 HG22 VAL 41 -8.576 -8.332 -3.938 326 3HG2 VAL 41 HG21 VAL 41 -8.812 -7.140 -2.659 327 H GLY 42 HN GLY 42 -7.035 -5.135 -6.790 328 1HA GLY 42 HA2 GLY 42 -9.565 -3.964 -7.708 329 2HA GLY 42 HA1 GLY 42 -8.212 -4.445 -8.733 330 H ARG 43 HN ARG 43 -10.387 -5.235 -9.867 331 HA ARG 43 HA ARG 43 -11.552 -7.693 -8.868 332 1HB ARG 43 HB2 ARG 43 -12.508 -5.978 -10.596 333 2HB ARG 43 HB1 ARG 43 -11.570 -6.899 -11.771 334 1HG ARG 43 HG2 ARG 43 -13.252 -8.455 -9.865 335 2HG ARG 43 HG1 ARG 43 -14.091 -7.563 -11.135 336 1HD ARG 43 HD2 ARG 43 -11.822 -9.525 -11.585 337 2HD ARG 43 HD1 ARG 43 -13.531 -9.864 -11.862 338 HE ARG 43 HE ARG 43 -12.942 -7.554 -13.356 339 1HH1 ARG 43 HH11 ARG 43 -11.919 -10.870 -13.198 340 2HH1 ARG 43 HH12 ARG 43 -11.529 -10.954 -14.884 341 1HH2 ARG 43 HH21 ARG 43 -12.431 -7.675 -15.542 342 2HH2 ARG 43 HH22 ARG 43 -11.818 -9.153 -16.202 343 H ARG 44 HN ARG 44 -8.980 -6.906 -11.181 344 HA ARG 44 HA ARG 44 -8.560 -9.607 -12.090 345 1HB ARG 44 HB2 ARG 44 -6.793 -7.148 -12.077 346 2HB ARG 44 HB1 ARG 44 -6.291 -8.682 -12.789 347 1HG ARG 44 HG2 ARG 44 -8.238 -8.644 -14.289 348 2HG ARG 44 HG1 ARG 44 -8.778 -7.128 -13.564 349 1HD ARG 44 HD2 ARG 44 -6.019 -7.366 -14.754 350 2HD ARG 44 HD1 ARG 44 -7.413 -7.007 -15.773 351 HE ARG 44 HE ARG 44 -6.189 -5.193 -13.827 352 1HH1 ARG 44 HH21 ARG 44 -9.032 -6.024 -15.642 353 2HH1 ARG 44 HH22 ARG 44 -9.692 -4.423 -15.568 354 1HH2 ARG 44 HH11 ARG 44 -7.055 -3.122 -13.737 355 2HH2 ARG 44 HH12 ARG 44 -8.577 -2.789 -14.495 356 H THR 45 HN THR 45 -7.307 -7.711 -9.390 357 HA THR 45 HA THR 45 -5.319 -9.714 -8.635 358 HB THR 45 HB THR 45 -6.430 -7.489 -6.909 359 HG1 THR 45 HG1 THR 45 -5.381 -7.157 -9.209 360 1HG2 THR 45 HG22 THR 45 -3.854 -9.072 -6.965 361 2HG2 THR 45 HG21 THR 45 -4.053 -7.594 -6.024 362 3HG2 THR 45 HG23 THR 45 -5.049 -9.006 -5.669 363 H TYR 46 HN TYR 46 -8.665 -9.012 -7.866 364 HA TYR 46 HA TYR 46 -8.834 -10.607 -5.472 365 1HB TYR 46 HB2 TYR 46 -10.517 -8.866 -6.256 366 2HB TYR 46 HB1 TYR 46 -11.078 -10.056 -7.431 367 HD1 TYR 46 HD1 TYR 46 -10.193 -9.939 -3.779 368 HD2 TYR 46 HD2 TYR 46 -12.901 -11.351 -6.799 369 HE1 TYR 46 HE1 TYR 46 -11.585 -11.011 -2.029 370 HE2 TYR 46 HE2 TYR 46 -14.293 -12.424 -5.049 371 HH TYR 46 HH TYR 46 -14.724 -12.186 -2.643 372 H GLU 47 HN GLU 47 -8.987 -11.335 -8.899 373 HA GLU 47 HA GLU 47 -9.970 -14.072 -8.440 374 1HB GLU 47 HB2 GLU 47 -9.155 -12.487 -10.873 375 2HB GLU 47 HB1 GLU 47 -9.404 -14.230 -10.970 376 1HG GLU 47 HG2 GLU 47 -11.665 -13.722 -9.760 377 2HG GLU 47 HG1 GLU 47 -11.401 -12.074 -10.332 378 H SER 48 HN SER 48 -6.931 -12.408 -8.787 379 HA SER 48 HA SER 48 -5.291 -14.613 -9.586 380 1HB SER 48 HB2 SER 48 -3.425 -13.277 -8.823 381 2HB SER 48 HB1 SER 48 -4.600 -12.187 -9.556 382 HG SER 48 HG SER 48 -4.600 -12.782 -6.790 383 H PHE 49 HN PHE 49 -6.734 -13.735 -6.538 384 HA PHE 49 HA PHE 49 -5.018 -15.216 -4.788 385 1HB PHE 49 HB2 PHE 49 -7.958 -14.505 -4.560 386 2HB PHE 49 HB1 PHE 49 -7.008 -15.207 -3.250 387 HD1 PHE 49 HD2 PHE 49 -4.521 -13.934 -3.147 388 HD2 PHE 49 HD1 PHE 49 -8.277 -12.215 -4.325 389 HE1 PHE 49 HE2 PHE 49 -3.677 -11.680 -2.549 390 HE2 PHE 49 HE1 PHE 49 -7.433 -9.960 -3.726 391 HZ PHE 49 HZ PHE 49 -5.133 -9.693 -2.839 392 HA PRO 50 HA PRO 50 -6.289 -19.415 -5.531 393 1HB PRO 50 HB2 PRO 50 -5.953 -20.400 -2.929 394 2HB PRO 50 HB1 PRO 50 -4.688 -20.260 -4.158 395 1HG PRO 50 HG2 PRO 50 -4.956 -18.783 -1.722 396 2HG PRO 50 HG1 PRO 50 -3.683 -18.661 -2.945 397 1HD PRO 50 HD2 PRO 50 -5.954 -16.882 -2.471 398 2HD PRO 50 HD1 PRO 50 -4.504 -16.611 -3.452 399 H LYS 51 HN LYS 51 -7.457 -18.515 -2.261 400 HA LYS 51 HA LYS 51 -10.174 -19.448 -3.095 401 1HB LYS 51 HB2 LYS 51 -10.486 -20.241 -0.744 402 2HB LYS 51 HB1 LYS 51 -9.213 -21.115 -1.594 403 1HG LYS 51 HG2 LYS 51 -7.687 -19.196 -0.558 404 2HG LYS 51 HG1 LYS 51 -8.989 -19.129 0.629 405 1HD LYS 51 HD2 LYS 51 -8.748 -21.538 1.053 406 2HD LYS 51 HD1 LYS 51 -7.466 -21.631 -0.155 407 1HE LYS 51 HE2 LYS 51 -6.485 -21.472 2.085 408 2HE LYS 51 HE1 LYS 51 -6.131 -20.007 1.170 409 1HZ LYS 51 HZ1 LYS 51 -8.610 -19.803 2.551 410 2HZ LYS 51 HZ3 LYS 51 -7.345 -20.151 3.625 411 3HZ LYS 51 HZ2 LYS 51 -7.252 -18.784 2.619 412 H ARG 52 HN ARG 52 -10.426 -17.095 -3.573 413 HA ARG 52 HA ARG 52 -10.389 -15.215 -1.334 414 1HB ARG 52 HB2 ARG 52 -11.389 -13.641 -3.001 415 2HB ARG 52 HB1 ARG 52 -9.898 -14.387 -3.575 416 1HG ARG 52 HG2 ARG 52 -12.353 -15.909 -4.208 417 2HG ARG 52 HG1 ARG 52 -12.240 -14.337 -4.997 418 1HD ARG 52 HD2 ARG 52 -9.809 -15.057 -5.584 419 2HD ARG 52 HD1 ARG 52 -10.370 -16.688 -5.215 420 HE ARG 52 HE ARG 52 -11.207 -15.046 -7.514 421 1HH1 ARG 52 HH11 ARG 52 -11.766 -17.820 -5.497 422 2HH1 ARG 52 HH12 ARG 52 -12.722 -18.640 -6.685 423 1HH2 ARG 52 HH21 ARG 52 -12.449 -16.121 -9.047 424 2HH2 ARG 52 HH22 ARG 52 -13.107 -17.682 -8.686 425 HA PRO 53 HA PRO 53 -11.456 -13.299 -0.824 426 1HB PRO 53 HB2 PRO 53 -12.779 -12.650 1.564 427 2HB PRO 53 HB1 PRO 53 -13.090 -11.939 -0.025 428 1HG PRO 53 HG2 PRO 53 -14.794 -13.651 1.504 429 2HG PRO 53 HG1 PRO 53 -15.102 -12.932 -0.083 430 1HD PRO 53 HD2 PRO 53 -14.334 -15.675 0.575 431 2HD PRO 53 HD1 PRO 53 -14.973 -15.024 -0.942 432 H LEU 54 HN LEU 54 -9.983 -12.817 1.017 433 HA LEU 54 HA LEU 54 -9.006 -15.275 2.243 434 1HB LEU 54 HB2 LEU 54 -8.094 -12.424 2.725 435 2HB LEU 54 HB1 LEU 54 -7.192 -13.896 3.088 436 HG LEU 54 HG LEU 54 -8.117 -13.208 0.292 437 1HD1 LEU 54 HD11 LEU 54 -6.612 -11.429 1.172 438 2HD1 LEU 54 HD13 LEU 54 -5.411 -12.663 1.549 439 3HD1 LEU 54 HD12 LEU 54 -5.862 -12.356 -0.127 440 1HD2 LEU 54 HD23 LEU 54 -6.035 -15.097 1.436 441 2HD2 LEU 54 HD22 LEU 54 -7.556 -15.553 0.669 442 3HD2 LEU 54 HD21 LEU 54 -6.277 -14.805 -0.286 443 HA PRO 55 HA PRO 55 -11.234 -14.747 6.096 444 1HB PRO 55 HB2 PRO 55 -9.781 -16.612 7.554 445 2HB PRO 55 HB1 PRO 55 -11.144 -16.988 6.490 446 1HG PRO 55 HG2 PRO 55 -8.345 -17.605 6.131 447 2HG PRO 55 HG1 PRO 55 -9.733 -18.136 5.172 448 1HD PRO 55 HD2 PRO 55 -7.786 -16.081 4.547 449 2HD PRO 55 HD1 PRO 55 -9.072 -16.743 3.525 450 H GLU 56 HN GLU 56 -10.789 -14.159 8.392 451 HA GLU 56 HA GLU 56 -9.710 -12.854 10.009 452 1HB GLU 56 HB2 GLU 56 -7.162 -13.801 8.668 453 2HB GLU 56 HB1 GLU 56 -7.328 -13.186 10.312 454 1HG GLU 56 HG2 GLU 56 -8.864 -15.088 10.824 455 2HG GLU 56 HG1 GLU 56 -8.556 -15.729 9.210 456 H ARG 57 HN ARG 57 -10.381 -11.738 7.318 457 HA ARG 57 HA ARG 57 -9.274 -9.130 7.654 458 1HB ARG 57 HB2 ARG 57 -7.834 -9.042 5.616 459 2HB ARG 57 HB1 ARG 57 -7.183 -10.110 6.859 460 1HG ARG 57 HG2 ARG 57 -8.540 -11.965 5.595 461 2HG ARG 57 HG1 ARG 57 -8.491 -10.825 4.250 462 1HD ARG 57 HD2 ARG 57 -6.512 -11.930 3.838 463 2HD ARG 57 HD1 ARG 57 -5.909 -10.708 4.957 464 HE ARG 57 HE ARG 57 -6.513 -12.647 6.709 465 1HH1 ARG 57 HH21 ARG 57 -5.045 -12.872 3.568 466 2HH1 ARG 57 HH22 ARG 57 -4.137 -14.293 3.962 467 1HH2 ARG 57 HH11 ARG 57 -5.329 -14.490 7.210 468 2HH2 ARG 57 HH12 ARG 57 -4.299 -15.204 6.015 469 H THR 58 HN THR 58 -10.305 -7.640 6.275 470 HA THR 58 HA THR 58 -12.688 -8.642 4.916 471 HB THR 58 HB THR 58 -11.673 -5.808 4.756 472 HG1 THR 58 HG1 THR 58 -12.845 -5.541 6.763 473 1HG2 THR 58 HG22 THR 58 -14.362 -7.182 4.744 474 2HG2 THR 58 HG21 THR 58 -14.201 -5.445 5.003 475 3HG2 THR 58 HG23 THR 58 -13.652 -6.165 3.490 476 H ASN 59 HN ASN 59 -13.139 -8.360 2.653 477 HA ASN 59 HA ASN 59 -10.701 -7.995 0.955 478 1HB ASN 59 HB2 ASN 59 -12.913 -10.039 0.796 479 2HB ASN 59 HB1 ASN 59 -11.965 -9.616 -0.630 480 1HD2 ASN 59 HD22 ASN 59 -9.834 -11.222 2.509 481 2HD2 ASN 59 HD21 ASN 59 -11.064 -10.100 2.838 482 H VAL 60 HN VAL 60 -11.124 -5.875 0.316 483 HA VAL 60 HA VAL 60 -13.812 -5.187 -0.713 484 HB VAL 60 HB VAL 60 -11.323 -3.462 -0.547 485 1HG1 VAL 60 HG11 VAL 60 -14.253 -2.933 -1.060 486 2HG1 VAL 60 HG13 VAL 60 -13.168 -1.663 -0.495 487 3HG1 VAL 60 HG12 VAL 60 -12.869 -2.456 -2.042 488 1HG2 VAL 60 HG22 VAL 60 -13.610 -3.869 1.406 489 2HG2 VAL 60 HG21 VAL 60 -11.904 -4.220 1.688 490 3HG2 VAL 60 HG23 VAL 60 -12.444 -2.550 1.514 491 H VAL 61 HN VAL 61 -14.156 -4.522 -2.892 492 HA VAL 61 HA VAL 61 -11.919 -5.039 -4.795 493 HB VAL 61 HB VAL 61 -14.757 -6.040 -5.174 494 1HG1 VAL 61 HG11 VAL 61 -12.187 -6.364 -6.749 495 2HG1 VAL 61 HG13 VAL 61 -13.636 -7.324 -7.039 496 3HG1 VAL 61 HG12 VAL 61 -13.673 -5.579 -7.284 497 1HG2 VAL 61 HG23 VAL 61 -12.222 -7.551 -4.457 498 2HG2 VAL 61 HG22 VAL 61 -13.595 -7.281 -3.382 499 3HG2 VAL 61 HG21 VAL 61 -13.783 -8.287 -4.818 500 H LEU 62 HN LEU 62 -11.672 -3.253 -6.031 501 HA LEU 62 HA LEU 62 -13.944 -1.359 -6.298 502 1HB LEU 62 HB2 LEU 62 -11.606 -0.610 -5.598 503 2HB LEU 62 HB1 LEU 62 -11.097 -0.965 -7.250 504 HG LEU 62 HG LEU 62 -13.048 0.538 -7.994 505 1HD1 LEU 62 HD11 LEU 62 -12.948 1.050 -5.028 506 2HD1 LEU 62 HD13 LEU 62 -13.455 2.326 -6.135 507 3HD1 LEU 62 HD12 LEU 62 -14.356 0.812 -6.063 508 1HD2 LEU 62 HD22 LEU 62 -10.618 1.588 -6.520 509 2HD2 LEU 62 HD21 LEU 62 -10.798 1.327 -8.256 510 3HD2 LEU 62 HD23 LEU 62 -11.684 2.631 -7.464 511 H THR 63 HN THR 63 -15.178 -1.504 -8.094 512 HA THR 63 HA THR 63 -13.877 -2.165 -10.686 513 HB THR 63 HB THR 63 -14.780 -4.292 -9.924 514 HG1 THR 63 HG1 THR 63 -15.115 -3.841 -12.097 515 1HG2 THR 63 HG21 THR 63 -17.277 -2.664 -9.422 516 2HG2 THR 63 HG23 THR 63 -17.288 -4.426 -9.505 517 3HG2 THR 63 HG22 THR 63 -16.351 -3.608 -8.255 518 H HIS 64 HN HIS 64 -14.902 -1.184 -12.469 519 HA HIS 64 HA HIS 64 -16.900 0.902 -11.747 520 1HB HIS 64 HB2 HIS 64 -14.693 1.432 -12.973 521 2HB HIS 64 HB1 HIS 64 -15.436 0.669 -14.379 522 HD1 HIS 64 HD1 HIS 64 -15.933 3.575 -12.000 523 HD2 HIS 64 HD2 HIS 64 -17.366 2.235 -15.678 524 HE1 HIS 64 HE1 HIS 64 -17.344 5.454 -12.946 525 H GLN 65 HN GLN 65 -17.601 -1.942 -12.116 526 HA GLN 65 HA GLN 65 -19.744 -1.539 -14.106 527 1HB GLN 65 HB2 GLN 65 -19.230 -3.736 -15.202 528 2HB GLN 65 HB1 GLN 65 -17.993 -2.511 -15.487 529 1HG GLN 65 HG2 GLN 65 -16.626 -3.454 -13.666 530 2HG GLN 65 HG1 GLN 65 -17.863 -4.675 -13.365 531 1HE2 GLN 65 HE22 GLN 65 -15.766 -4.953 -16.903 532 2HE2 GLN 65 HE21 GLN 65 -16.076 -3.416 -16.252 533 H GLU 66 HN GLU 66 -21.600 -2.598 -13.480 534 HA GLU 66 HA GLU 66 -21.520 -4.033 -10.903 535 1HB GLU 66 HB2 GLU 66 -23.305 -2.267 -11.874 536 2HB GLU 66 HB1 GLU 66 -24.060 -3.759 -12.436 537 1HG GLU 66 HG2 GLU 66 -23.079 -3.698 -9.620 538 2HG GLU 66 HG1 GLU 66 -24.536 -2.775 -9.991 539 H ASP 67 HN ASP 67 -20.351 -5.304 -13.288 540 HA ASP 67 HA ASP 67 -22.266 -7.488 -13.896 541 1HB ASP 67 HB2 ASP 67 -20.780 -6.334 -15.659 542 2HB ASP 67 HB1 ASP 67 -19.442 -7.233 -14.941 543 H TYR 68 HN TYR 68 -19.134 -6.929 -12.330 544 HA TYR 68 HA TYR 68 -18.670 -9.729 -11.723 545 1HB TYR 68 HB2 TYR 68 -16.927 -7.835 -11.832 546 2HB TYR 68 HB1 TYR 68 -17.490 -7.389 -10.221 547 HD1 TYR 68 HD2 TYR 68 -16.369 -10.395 -12.166 548 HD2 TYR 68 HD1 TYR 68 -16.521 -8.412 -8.358 549 HE1 TYR 68 HE2 TYR 68 -14.963 -12.183 -11.178 550 HE2 TYR 68 HE1 TYR 68 -15.115 -10.201 -7.371 551 HH TYR 68 HH TYR 68 -13.451 -12.491 -9.274 552 H GLN 69 HN GLN 69 -18.716 -10.637 -9.529 553 HA GLN 69 HA GLN 69 -20.347 -9.223 -7.516 554 1HB GLN 69 HB2 GLN 69 -21.228 -11.795 -8.854 555 2HB GLN 69 HB1 GLN 69 -21.906 -11.204 -7.336 556 1HG GLN 69 HG2 GLN 69 -22.335 -8.997 -8.618 557 2HG GLN 69 HG1 GLN 69 -22.070 -9.954 -10.076 558 1HE2 GLN 69 HE22 GLN 69 -25.355 -10.817 -7.746 559 2HE2 GLN 69 HE21 GLN 69 -23.997 -10.101 -7.023 560 H ALA 70 HN ALA 70 -18.754 -9.405 -5.961 561 HA ALA 70 HA ALA 70 -17.408 -12.004 -5.539 562 1HB ALA 70 HB3 ALA 70 -17.090 -9.316 -4.167 563 2HB ALA 70 HB2 ALA 70 -16.113 -10.742 -3.818 564 3HB ALA 70 HB1 ALA 70 -16.033 -9.986 -5.410 565 H GLN 71 HN GLN 71 -18.436 -13.476 -4.289 566 HA GLN 71 HA GLN 71 -20.536 -12.680 -2.410 567 1HB GLN 71 HB2 GLN 71 -19.278 -15.373 -3.022 568 2HB GLN 71 HB1 GLN 71 -20.657 -15.137 -1.946 569 1HG GLN 71 HG2 GLN 71 -21.977 -14.204 -3.773 570 2HG GLN 71 HG1 GLN 71 -20.590 -14.298 -4.859 571 1HE2 GLN 71 HE22 GLN 71 -22.546 -17.768 -3.832 572 2HE2 GLN 71 HE21 GLN 71 -22.699 -16.403 -2.836 573 H GLY 72 HN GLY 72 -20.170 -12.158 -0.317 574 1HA GLY 72 HA2 GLY 72 -19.219 -12.291 1.850 575 2HA GLY 72 HA1 GLY 72 -18.094 -13.510 1.247 576 H ALA 73 HN ALA 73 -18.655 -10.253 -0.056 577 HA ALA 73 HA ALA 73 -16.124 -9.251 1.049 578 1HB ALA 73 HB3 ALA 73 -16.464 -9.963 -1.862 579 2HB ALA 73 HB2 ALA 73 -15.352 -8.688 -1.364 580 3HB ALA 73 HB1 ALA 73 -15.117 -10.338 -0.788 581 H VAL 74 HN VAL 74 -15.901 -6.950 0.709 582 HA VAL 74 HA VAL 74 -18.492 -5.609 0.309 583 HB VAL 74 HB VAL 74 -15.791 -4.399 0.973 584 1HG1 VAL 74 HG13 VAL 74 -17.509 -2.823 0.128 585 2HG1 VAL 74 HG12 VAL 74 -18.624 -3.389 1.371 586 3HG1 VAL 74 HG11 VAL 74 -17.150 -2.539 1.832 587 1HG2 VAL 74 HG21 VAL 74 -18.028 -5.337 2.800 588 2HG2 VAL 74 HG23 VAL 74 -16.442 -6.094 2.643 589 3HG2 VAL 74 HG22 VAL 74 -16.582 -4.472 3.320 590 H VAL 75 HN VAL 75 -18.874 -5.713 -1.931 591 HA VAL 75 HA VAL 75 -16.841 -4.968 -3.876 592 HB VAL 75 HB VAL 75 -19.845 -5.148 -4.251 593 1HG1 VAL 75 HG12 VAL 75 -18.401 -4.012 -6.023 594 2HG1 VAL 75 HG11 VAL 75 -17.623 -5.576 -6.260 595 3HG1 VAL 75 HG13 VAL 75 -19.347 -5.391 -6.579 596 1HG2 VAL 75 HG23 VAL 75 -18.883 -7.230 -3.287 597 2HG2 VAL 75 HG22 VAL 75 -19.434 -7.468 -4.946 598 3HG2 VAL 75 HG21 VAL 75 -17.713 -7.280 -4.607 599 H VAL 76 HN VAL 76 -16.136 -2.867 -3.716 600 HA VAL 76 HA VAL 76 -18.130 -0.701 -3.331 601 HB VAL 76 HB VAL 76 -16.096 0.748 -3.104 602 1HG1 VAL 76 HG11 VAL 76 -17.199 -0.433 -1.163 603 2HG1 VAL 76 HG13 VAL 76 -15.995 -1.710 -1.335 604 3HG1 VAL 76 HG12 VAL 76 -15.491 -0.074 -0.913 605 1HG2 VAL 76 HG21 VAL 76 -14.688 -1.921 -3.427 606 2HG2 VAL 76 HG23 VAL 76 -14.559 -0.531 -4.505 607 3HG2 VAL 76 HG22 VAL 76 -13.906 -0.443 -2.868 608 H HIS 77 HN HIS 77 -18.109 1.150 -4.802 609 HA HIS 77 HA HIS 77 -16.930 0.591 -7.485 610 1HB HIS 77 HB2 HIS 77 -19.783 1.478 -6.951 611 2HB HIS 77 HB1 HIS 77 -19.041 1.336 -8.545 612 HD1 HIS 77 HD1 HIS 77 -19.011 -0.952 -9.605 613 HD2 HIS 77 HD2 HIS 77 -20.003 -1.108 -5.559 614 HE1 HIS 77 HE1 HIS 77 -19.694 -3.343 -9.127 615 H ASP 78 HN ASP 78 -16.184 2.419 -5.278 616 HA ASP 78 HA ASP 78 -15.762 4.807 -6.846 617 1HB ASP 78 HB2 ASP 78 -18.221 4.935 -5.962 618 2HB ASP 78 HB1 ASP 78 -17.462 5.296 -4.410 619 H VAL 79 HN VAL 79 -14.170 6.125 -5.883 620 HA VAL 79 HA VAL 79 -12.516 4.873 -3.884 621 HB VAL 79 HB VAL 79 -12.458 7.761 -4.811 622 1HG1 VAL 79 HG12 VAL 79 -11.120 6.964 -2.745 623 2HG1 VAL 79 HG11 VAL 79 -10.150 6.044 -3.895 624 3HG1 VAL 79 HG13 VAL 79 -10.228 7.801 -4.016 625 1HG2 VAL 79 HG22 VAL 79 -12.394 6.193 -6.721 626 2HG2 VAL 79 HG21 VAL 79 -10.827 6.968 -6.489 627 3HG2 VAL 79 HG23 VAL 79 -11.078 5.308 -5.950 628 H ALA 80 HN ALA 80 -15.011 7.356 -3.784 629 HA ALA 80 HA ALA 80 -14.463 8.240 -1.086 630 1HB ALA 80 HB3 ALA 80 -16.847 8.459 -2.924 631 2HB ALA 80 HB2 ALA 80 -16.915 9.044 -1.262 632 3HB ALA 80 HB1 ALA 80 -15.751 9.734 -2.393 633 H ALA 81 HN ALA 81 -16.411 5.666 -2.498 634 HA ALA 81 HA ALA 81 -17.892 5.005 -0.120 635 1HB ALA 81 HB2 ALA 81 -18.509 4.238 -2.417 636 2HB ALA 81 HB1 ALA 81 -17.098 3.181 -2.410 637 3HB ALA 81 HB3 ALA 81 -18.409 2.909 -1.262 638 H VAL 82 HN VAL 82 -14.738 4.027 -1.380 639 HA VAL 82 HA VAL 82 -14.278 1.909 0.521 640 HB VAL 82 HB VAL 82 -12.218 3.622 -0.899 641 1HG1 VAL 82 HG12 VAL 82 -12.118 0.798 0.208 642 2HG1 VAL 82 HG11 VAL 82 -10.808 1.610 -0.650 643 3HG1 VAL 82 HG13 VAL 82 -11.338 2.209 0.924 644 1HG2 VAL 82 HG22 VAL 82 -13.956 1.348 -1.803 645 2HG2 VAL 82 HG21 VAL 82 -13.453 2.788 -2.688 646 3HG2 VAL 82 HG23 VAL 82 -12.313 1.467 -2.433 647 H PHE 83 HN PHE 83 -13.744 5.394 0.557 648 HA PHE 83 HA PHE 83 -12.214 5.332 3.050 649 1HB PHE 83 HB2 PHE 83 -13.383 7.516 1.329 650 2HB PHE 83 HB1 PHE 83 -12.712 7.876 2.920 651 HD1 PHE 83 HD1 PHE 83 -10.366 6.509 3.335 652 HD2 PHE 83 HD2 PHE 83 -11.919 7.821 -0.449 653 HE1 PHE 83 HE1 PHE 83 -8.076 6.468 2.381 654 HE2 PHE 83 HE2 PHE 83 -9.630 7.780 -1.403 655 HZ PHE 83 HZ PHE 83 -7.708 7.104 0.011 656 H ALA 84 HN ALA 84 -15.567 5.767 2.084 657 HA ALA 84 HA ALA 84 -16.538 6.809 4.580 658 1HB ALA 84 HB1 ALA 84 -17.757 6.771 2.330 659 2HB ALA 84 HB3 ALA 84 -18.115 5.077 2.666 660 3HB ALA 84 HB2 ALA 84 -18.724 6.337 3.740 661 H TYR 85 HN TYR 85 -15.751 3.590 3.462 662 HA TYR 85 HA TYR 85 -17.084 2.306 5.760 663 1HB TYR 85 HB2 TYR 85 -16.938 1.280 3.424 664 2HB TYR 85 HB1 TYR 85 -15.227 1.006 3.756 665 HD1 TYR 85 HD2 TYR 85 -14.568 -0.384 5.768 666 HD2 TYR 85 HD1 TYR 85 -18.613 -0.135 4.346 667 HE1 TYR 85 HE2 TYR 85 -15.141 -2.434 7.041 668 HE2 TYR 85 HE1 TYR 85 -19.187 -2.185 5.619 669 HH TYR 85 HH TYR 85 -16.892 -3.670 7.840 670 H ALA 86 HN ALA 86 -13.924 3.436 4.822 671 HA ALA 86 HA ALA 86 -12.477 1.904 6.842 672 1HB ALA 86 HB1 ALA 86 -11.443 2.776 4.712 673 2HB ALA 86 HB3 ALA 86 -11.578 4.403 5.380 674 3HB ALA 86 HB2 ALA 86 -10.551 3.207 6.171 675 H LYS 87 HN LYS 87 -13.946 5.101 6.609 676 HA LYS 87 HA LYS 87 -12.777 6.201 8.994 677 1HB LYS 87 HB2 LYS 87 -14.710 7.799 8.892 678 2HB LYS 87 HB1 LYS 87 -13.837 7.665 7.366 679 1HG LYS 87 HG2 LYS 87 -15.512 6.140 6.481 680 2HG LYS 87 HG1 LYS 87 -16.348 6.104 8.034 681 1HD LYS 87 HD2 LYS 87 -15.893 8.694 6.553 682 2HD LYS 87 HD1 LYS 87 -17.296 7.679 6.221 683 1HE LYS 87 HE2 LYS 87 -16.601 8.483 9.042 684 2HE LYS 87 HE1 LYS 87 -17.551 9.546 8.003 685 1HZ LYS 87 HZ1 LYS 87 -18.749 7.165 7.641 686 2HZ LYS 87 HZ3 LYS 87 -18.296 7.067 9.272 687 3HZ LYS 87 HZ2 LYS 87 -19.271 8.352 8.739 688 H GLN 88 HN GLN 88 -15.564 4.139 8.390 689 HA GLN 88 HA GLN 88 -16.745 4.426 11.013 690 1HB GLN 88 HB2 GLN 88 -17.823 3.489 8.857 691 2HB GLN 88 HB1 GLN 88 -17.008 1.979 9.264 692 1HG GLN 88 HG2 GLN 88 -18.125 1.917 11.435 693 2HG GLN 88 HG1 GLN 88 -18.880 3.480 11.118 694 1HE2 GLN 88 HE22 GLN 88 -20.425 0.107 9.422 695 2HE2 GLN 88 HE21 GLN 88 -18.969 0.043 10.291 696 H HIS 89 HN HIS 89 -14.142 2.507 9.701 697 HA HIS 89 HA HIS 89 -13.880 1.131 12.347 698 1HB HIS 89 HB2 HIS 89 -13.343 0.184 9.539 699 2HB HIS 89 HB1 HIS 89 -12.485 -0.538 10.901 700 HD1 HIS 89 HD1 HIS 89 -13.667 -2.451 11.967 701 HD2 HIS 89 HD2 HIS 89 -16.341 0.135 10.084 702 HE1 HIS 89 HE1 HIS 89 -15.966 -3.482 12.228 703 HA PRO 90 HA PRO 90 -10.148 3.807 11.984 704 1HB PRO 90 HB2 PRO 90 -10.180 4.388 14.728 705 2HB PRO 90 HB1 PRO 90 -10.827 5.412 13.439 706 1HG PRO 90 HG2 PRO 90 -12.271 4.006 15.468 707 2HG PRO 90 HG1 PRO 90 -12.910 5.044 14.186 708 1HD PRO 90 HD2 PRO 90 -12.886 2.126 14.350 709 2HD PRO 90 HD1 PRO 90 -13.797 3.179 13.254 710 H ASP 91 HN ASP 91 -11.014 1.125 14.026 711 HA ASP 91 HA ASP 91 -8.444 0.720 15.272 712 1HB ASP 91 HB2 ASP 91 -10.663 -0.301 15.995 713 2HB ASP 91 HB1 ASP 91 -10.489 -1.422 14.643 714 H GLN 92 HN GLN 92 -9.790 -0.095 12.151 715 HA GLN 92 HA GLN 92 -7.477 -1.850 11.526 716 1HB GLN 92 HB2 GLN 92 -10.051 -1.219 10.061 717 2HB GLN 92 HB1 GLN 92 -8.749 -2.168 9.340 718 1HG GLN 92 HG2 GLN 92 -8.886 -3.784 11.192 719 2HG GLN 92 HG1 GLN 92 -10.173 -2.834 11.935 720 1HE2 GLN 92 HE22 GLN 92 -11.030 -4.864 8.453 721 2HE2 GLN 92 HE21 GLN 92 -9.435 -4.357 8.739 722 H GLU 93 HN GLU 93 -6.783 -1.439 9.045 723 HA GLU 93 HA GLU 93 -6.467 1.490 8.594 724 1HB GLU 93 HB2 GLU 93 -4.284 -0.570 8.888 725 2HB GLU 93 HB1 GLU 93 -4.029 0.883 7.920 726 1HG GLU 93 HG2 GLU 93 -5.099 1.052 10.736 727 2HG GLU 93 HG1 GLU 93 -3.365 0.984 10.418 728 H LEU 94 HN LEU 94 -6.117 2.038 6.377 729 HA LEU 94 HA LEU 94 -7.122 0.005 4.492 730 1HB LEU 94 HB2 LEU 94 -7.850 2.483 4.572 731 2HB LEU 94 HB1 LEU 94 -6.304 2.826 3.795 732 HG LEU 94 HG LEU 94 -7.010 0.964 2.110 733 1HD1 LEU 94 HD13 LEU 94 -9.584 1.625 3.539 734 2HD1 LEU 94 HD12 LEU 94 -9.586 1.074 1.864 735 3HD1 LEU 94 HD11 LEU 94 -8.929 0.039 3.132 736 1HD2 LEU 94 HD21 LEU 94 -8.056 3.776 2.317 737 2HD2 LEU 94 HD23 LEU 94 -6.847 3.118 1.215 738 3HD2 LEU 94 HD22 LEU 94 -8.555 2.762 0.964 739 H VAL 95 HN VAL 95 -5.821 -1.110 3.110 740 HA VAL 95 HA VAL 95 -3.035 -0.108 2.685 741 HB VAL 95 HB VAL 95 -3.841 -3.014 3.013 742 1HG1 VAL 95 HG11 VAL 95 -1.221 -1.562 2.610 743 2HG1 VAL 95 HG13 VAL 95 -1.289 -3.189 3.289 744 3HG1 VAL 95 HG12 VAL 95 -1.891 -2.888 1.660 745 1HG2 VAL 95 HG21 VAL 95 -2.447 -1.126 4.939 746 2HG2 VAL 95 HG23 VAL 95 -4.066 -1.798 5.141 747 3HG2 VAL 95 HG22 VAL 95 -2.658 -2.860 5.190 748 H ILE 96 HN ILE 96 -2.495 0.028 0.559 749 HA ILE 96 HA ILE 96 -4.400 -1.078 -1.434 750 HB ILE 96 HB ILE 96 -2.054 0.789 -1.878 751 1HG1 ILE 96 HG12 ILE 96 -3.683 1.793 -0.315 752 2HG1 ILE 96 HG11 ILE 96 -3.732 2.605 -1.878 753 1HG2 ILE 96 HG22 ILE 96 -2.966 -0.490 -3.847 754 2HG2 ILE 96 HG21 ILE 96 -4.520 0.294 -3.567 755 3HG2 ILE 96 HG23 ILE 96 -3.110 1.261 -3.998 756 1HD1 ILE 96 HD13 ILE 96 -5.696 1.219 -2.515 757 2HD1 ILE 96 HD12 ILE 96 -5.662 0.467 -0.921 758 3HD1 ILE 96 HD11 ILE 96 -6.014 2.187 -1.076 759 H ALA 97 HN ALA 97 -3.907 -3.042 -2.258 760 HA ALA 97 HA ALA 97 -1.046 -3.886 -2.340 761 1HB ALA 97 HB3 ALA 97 -3.657 -5.330 -2.119 762 2HB ALA 97 HB2 ALA 97 -2.323 -6.153 -2.928 763 3HB ALA 97 HB1 ALA 97 -2.143 -5.613 -1.258 764 H GLY 98 HN GLY 98 -3.880 -3.301 -4.329 765 1HA GLY 98 HA2 GLY 98 -2.604 -2.709 -6.704 766 2HA GLY 98 HA1 GLY 98 -2.736 -4.467 -6.743 767 H GLY 99 HN GLY 99 -5.843 -3.412 -8.381 768 1HA GLY 99 HA2 GLY 99 -3.075 -4.312 -8.760 769 2HA GLY 99 HA1 GLY 99 -4.266 -4.046 -10.034 770 H ALA 100 HN ALA 100 -2.746 -2.823 -11.286 771 HA ALA 100 HA ALA 100 -1.356 -0.520 -10.251 772 1HB ALA 100 HB3 ALA 100 -0.829 -1.826 -12.391 773 2HB ALA 100 HB2 ALA 100 -2.162 -0.943 -13.136 774 3HB ALA 100 HB1 ALA 100 -0.760 -0.068 -12.518 775 H GLN 101 HN GLN 101 -4.550 -1.026 -11.626 776 HA GLN 101 HA GLN 101 -5.129 1.796 -12.017 777 1HB GLN 101 HB2 GLN 101 -6.856 -0.687 -11.900 778 2HB GLN 101 HB1 GLN 101 -7.530 0.925 -12.143 779 1HG GLN 101 HG2 GLN 101 -5.308 -0.167 -13.878 780 2HG GLN 101 HG1 GLN 101 -7.012 -0.412 -14.266 781 1HE2 GLN 101 HE22 GLN 101 -7.435 2.851 -15.523 782 2HE2 GLN 101 HE21 GLN 101 -8.097 1.305 -15.296 783 H ILE 102 HN ILE 102 -5.374 -0.470 -9.365 784 HA ILE 102 HA ILE 102 -7.157 1.187 -7.760 785 HB ILE 102 HB ILE 102 -5.313 -1.041 -6.853 786 1HG1 ILE 102 HG12 ILE 102 -6.784 -1.804 -8.686 787 2HG1 ILE 102 HG11 ILE 102 -7.264 -2.527 -7.153 788 1HG2 ILE 102 HG22 ILE 102 -6.238 0.362 -5.047 789 2HG2 ILE 102 HG21 ILE 102 -7.865 0.095 -5.672 790 3HG2 ILE 102 HG23 ILE 102 -6.940 -1.255 -5.013 791 1HD1 ILE 102 HD11 ILE 102 -8.560 -0.101 -8.439 792 2HD1 ILE 102 HD13 ILE 102 -9.237 -1.730 -8.407 793 3HD1 ILE 102 HD12 ILE 102 -9.040 -0.826 -6.905 794 H PHE 103 HN PHE 103 -3.669 0.766 -8.093 795 HA PHE 103 HA PHE 103 -2.876 2.214 -5.756 796 1HB PHE 103 HB2 PHE 103 -1.546 1.620 -8.396 797 2HB PHE 103 HB1 PHE 103 -0.759 2.650 -7.200 798 HD1 PHE 103 HD2 PHE 103 -1.239 1.557 -4.649 799 HD2 PHE 103 HD1 PHE 103 -0.721 -0.555 -8.353 800 HE1 PHE 103 HE2 PHE 103 -0.498 -0.452 -3.399 801 HE2 PHE 103 HE1 PHE 103 0.019 -2.565 -7.103 802 HZ PHE 103 HZ PHE 103 0.132 -2.513 -4.626 803 H THR 104 HN THR 104 -2.990 3.331 -9.162 804 HA THR 104 HA THR 104 -2.586 6.092 -8.537 805 HB THR 104 HB THR 104 -4.204 5.217 -10.917 806 HG1 THR 104 HG1 THR 104 -2.268 3.831 -10.380 807 1HG2 THR 104 HG23 THR 104 -3.682 7.605 -10.588 808 2HG2 THR 104 HG22 THR 104 -1.964 7.217 -10.511 809 3HG2 THR 104 HG21 THR 104 -2.859 6.966 -12.010 810 H ALA 105 HN ALA 105 -5.381 4.052 -8.328 811 HA ALA 105 HA ALA 105 -7.382 6.140 -8.458 812 1HB ALA 105 HB1 ALA 105 -7.379 3.313 -7.388 813 2HB ALA 105 HB3 ALA 105 -8.794 4.358 -7.252 814 3HB ALA 105 HB2 ALA 105 -8.164 3.927 -8.843 815 H PHE 106 HN PHE 106 -5.340 4.824 -5.926 816 HA PHE 106 HA PHE 106 -6.660 6.675 -3.977 817 1HB PHE 106 HB2 PHE 106 -5.340 3.986 -3.606 818 2HB PHE 106 HB1 PHE 106 -5.540 5.103 -2.256 819 HD1 PHE 106 HD1 PHE 106 -7.793 5.772 -1.489 820 HD2 PHE 106 HD2 PHE 106 -7.241 2.872 -4.610 821 HE1 PHE 106 HE1 PHE 106 -10.152 5.051 -1.237 822 HE2 PHE 106 HE2 PHE 106 -9.600 2.152 -4.358 823 HZ PHE 106 HZ PHE 106 -11.056 3.241 -2.671 824 H LYS 107 HN LYS 107 -4.251 6.879 -5.970 825 HA LYS 107 HA LYS 107 -1.904 7.226 -4.325 826 1HB LYS 107 HB2 LYS 107 -1.002 8.443 -6.311 827 2HB LYS 107 HB1 LYS 107 -1.691 6.876 -6.731 828 1HG LYS 107 HG2 LYS 107 -2.799 8.088 -8.320 829 2HG LYS 107 HG1 LYS 107 -3.893 8.447 -6.985 830 1HD LYS 107 HD2 LYS 107 -3.429 10.600 -7.685 831 2HD LYS 107 HD1 LYS 107 -2.119 10.382 -6.523 832 1HE LYS 107 HE2 LYS 107 -0.682 9.559 -8.432 833 2HE LYS 107 HE1 LYS 107 -1.971 10.048 -9.531 834 1HZ LYS 107 HZ1 LYS 107 -1.494 12.168 -7.787 835 2HZ LYS 107 HZ3 LYS 107 0.017 11.642 -8.350 836 3HZ LYS 107 HZ2 LYS 107 -1.189 12.100 -9.457 837 H ASP 108 HN ASP 108 -4.670 9.207 -5.016 838 HA ASP 108 HA ASP 108 -3.501 11.772 -4.423 839 1HB ASP 108 HB2 ASP 108 -5.778 11.229 -5.547 840 2HB ASP 108 HB1 ASP 108 -6.387 11.073 -3.900 841 H ASP 109 HN ASP 109 -5.100 9.299 -2.441 842 HA ASP 109 HA ASP 109 -4.505 10.925 -0.010 843 1HB ASP 109 HB2 ASP 109 -6.355 8.565 -0.461 844 2HB ASP 109 HB1 ASP 109 -6.042 9.274 1.124 845 H VAL 110 HN VAL 110 -2.344 9.640 -1.318 846 HA VAL 110 HA VAL 110 -1.809 7.163 0.205 847 HB VAL 110 HB VAL 110 -1.183 7.258 -2.182 848 1HG1 VAL 110 HG12 VAL 110 -0.659 9.805 -1.969 849 2HG1 VAL 110 HG11 VAL 110 0.950 9.267 -1.489 850 3HG1 VAL 110 HG13 VAL 110 0.311 8.831 -3.074 851 1HG2 VAL 110 HG21 VAL 110 0.276 6.173 -0.204 852 2HG2 VAL 110 HG23 VAL 110 0.789 6.099 -1.890 853 3HG2 VAL 110 HG22 VAL 110 1.469 7.320 -0.814 854 H ASP 111 HN ASP 111 -0.004 6.983 1.652 855 HA ASP 111 HA ASP 111 1.197 9.564 2.549 856 1HB ASP 111 HB2 ASP 111 -0.117 7.449 4.273 857 2HB ASP 111 HB1 ASP 111 0.958 8.689 4.920 858 H THR 112 HN THR 112 1.351 6.110 3.486 859 HA THR 112 HA THR 112 4.300 6.293 3.560 860 HB THR 112 HB THR 112 2.680 3.803 4.087 861 HG1 THR 112 HG1 THR 112 1.814 4.778 5.710 862 1HG2 THR 112 HG23 THR 112 5.178 3.717 3.987 863 2HG2 THR 112 HG22 THR 112 5.233 4.881 5.311 864 3HG2 THR 112 HG21 THR 112 4.533 3.283 5.570 865 H LEU 113 HN LEU 113 5.586 4.583 2.445 866 HA LEU 113 HA LEU 113 4.255 3.422 0.050 867 1HB LEU 113 HB2 LEU 113 6.697 5.214 0.033 868 2HB LEU 113 HB1 LEU 113 6.244 4.184 -1.325 869 HG LEU 113 HG LEU 113 4.303 6.148 -0.103 870 1HD1 LEU 113 HD12 LEU 113 6.371 6.578 -2.270 871 2HD1 LEU 113 HD11 LEU 113 4.939 7.593 -2.110 872 3HD1 LEU 113 HD13 LEU 113 6.125 7.530 -0.806 873 1HD2 LEU 113 HD23 LEU 113 4.468 4.436 -2.562 874 2HD2 LEU 113 HD22 LEU 113 3.102 4.704 -1.479 875 3HD2 LEU 113 HD21 LEU 113 3.564 5.948 -2.640 876 H LEU 114 HN LEU 114 4.553 1.319 0.814 877 HA LEU 114 HA LEU 114 7.282 0.480 1.627 878 1HB LEU 114 HB2 LEU 114 4.594 -0.919 1.696 879 2HB LEU 114 HB1 LEU 114 6.110 -1.702 2.148 880 HG LEU 114 HG LEU 114 5.286 0.917 3.395 881 1HD1 LEU 114 HD12 LEU 114 3.469 -0.816 3.680 882 2HD1 LEU 114 HD11 LEU 114 4.655 -1.838 4.491 883 3HD1 LEU 114 HD13 LEU 114 4.205 -0.283 5.192 884 1HD2 LEU 114 HD22 LEU 114 7.066 -1.392 4.243 885 2HD2 LEU 114 HD21 LEU 114 7.606 0.197 3.698 886 3HD2 LEU 114 HD23 LEU 114 6.738 0.037 5.225 887 H VAL 115 HN VAL 115 8.520 0.148 -0.185 888 HA VAL 115 HA VAL 115 7.325 -1.466 -2.398 889 HB VAL 115 HB VAL 115 8.100 0.782 -3.067 890 1HG1 VAL 115 HG12 VAL 115 10.796 -0.184 -2.069 891 2HG1 VAL 115 HG11 VAL 115 10.518 1.315 -2.956 892 3HG1 VAL 115 HG13 VAL 115 9.824 1.098 -1.348 893 1HG2 VAL 115 HG23 VAL 115 8.402 -1.353 -4.516 894 2HG2 VAL 115 HG22 VAL 115 9.279 0.100 -4.995 895 3HG2 VAL 115 HG21 VAL 115 10.116 -1.192 -4.136 896 H THR 116 HN THR 116 8.289 -3.402 -2.939 897 HA THR 116 HA THR 116 10.630 -4.233 -1.277 898 HB THR 116 HB THR 116 8.637 -6.006 -2.721 899 HG1 THR 116 HG1 THR 116 7.401 -5.750 -1.062 900 1HG2 THR 116 HG23 THR 116 10.875 -6.985 -2.235 901 2HG2 THR 116 HG22 THR 116 10.646 -6.599 -0.529 902 3HG2 THR 116 HG21 THR 116 9.586 -7.766 -1.319 903 H ARG 117 HN ARG 117 12.361 -3.654 -2.580 904 HA ARG 117 HA ARG 117 12.319 -4.233 -5.463 905 1HB ARG 117 HB2 ARG 117 14.356 -3.013 -3.592 906 2HB ARG 117 HB1 ARG 117 14.737 -3.381 -5.275 907 1HG ARG 117 HG2 ARG 117 12.907 -1.951 -6.039 908 2HG ARG 117 HG1 ARG 117 12.429 -1.634 -4.370 909 1HD ARG 117 HD2 ARG 117 14.421 -0.410 -3.921 910 2HD ARG 117 HD1 ARG 117 15.204 -1.001 -5.386 911 HE ARG 117 HE ARG 117 12.804 0.469 -6.031 912 1HH1 ARG 117 HH21 ARG 117 16.114 0.814 -5.033 913 2HH1 ARG 117 HH22 ARG 117 16.286 2.387 -5.739 914 1HH2 ARG 117 HH11 ARG 117 13.039 2.511 -6.941 915 2HH2 ARG 117 HH12 ARG 117 14.553 3.341 -6.814 916 H LEU 118 HN LEU 118 13.408 -5.914 -6.456 917 HA LEU 118 HA LEU 118 14.688 -7.913 -4.635 918 1HB LEU 118 HB2 LEU 118 12.856 -8.142 -6.952 919 2HB LEU 118 HB1 LEU 118 14.186 -9.298 -6.938 920 HG LEU 118 HG LEU 118 13.569 -9.843 -4.548 921 1HD1 LEU 118 HD12 LEU 118 11.110 -8.217 -5.268 922 2HD1 LEU 118 HD11 LEU 118 11.309 -9.180 -3.805 923 3HD1 LEU 118 HD13 LEU 118 12.326 -7.765 -4.073 924 1HD2 LEU 118 HD22 LEU 118 11.428 -10.272 -6.658 925 2HD2 LEU 118 HD21 LEU 118 12.866 -11.268 -6.440 926 3HD2 LEU 118 HD23 LEU 118 11.624 -11.230 -5.190 927 H ALA 119 HN ALA 119 16.756 -8.626 -5.136 928 HA ALA 119 HA ALA 119 18.358 -6.974 -6.898 929 1HB ALA 119 HB2 ALA 119 19.200 -8.082 -4.794 930 2HB ALA 119 HB1 ALA 119 19.113 -9.627 -5.640 931 3HB ALA 119 HB3 ALA 119 20.212 -8.371 -6.210 932 H GLY 120 HN GLY 120 16.886 -10.175 -7.127 933 1HA GLY 120 HA2 GLY 120 18.242 -10.953 -9.560 934 2HA GLY 120 HA1 GLY 120 16.776 -11.696 -8.918 935 H SER 121 HN SER 121 17.807 -10.304 -11.614 936 HA SER 121 HA SER 121 15.716 -8.331 -12.107 937 1HB SER 121 HB2 SER 121 17.836 -8.137 -13.294 938 2HB SER 121 HB1 SER 121 17.640 -9.752 -13.973 939 HG SER 121 HG SER 121 16.567 -8.817 -15.507 940 H PHE 122 HN PHE 122 13.744 -8.676 -13.083 941 HA PHE 122 HA PHE 122 13.179 -11.326 -14.296 942 1HB PHE 122 HB2 PHE 122 11.578 -10.095 -12.033 943 2HB PHE 122 HB1 PHE 122 11.054 -11.484 -12.985 944 HD1 PHE 122 HD1 PHE 122 12.619 -13.531 -13.080 945 HD2 PHE 122 HD2 PHE 122 13.001 -10.390 -10.176 946 HE1 PHE 122 HE1 PHE 122 13.955 -15.035 -11.629 947 HE2 PHE 122 HE2 PHE 122 14.336 -11.893 -8.725 948 HZ PHE 122 HZ PHE 122 14.813 -14.216 -9.452 949 H GLU 123 HN GLU 123 12.338 -10.858 -16.257 950 HA GLU 123 HA GLU 123 10.971 -8.264 -16.681 951 1HB GLU 123 HB2 GLU 123 11.800 -10.436 -18.633 952 2HB GLU 123 HB1 GLU 123 11.089 -8.885 -19.084 953 1HG GLU 123 HG2 GLU 123 13.530 -8.931 -17.336 954 2HG GLU 123 HG1 GLU 123 13.707 -9.162 -19.075 955 H GLY 124 HN GLY 124 8.810 -8.119 -17.369 956 1HA GLY 124 HA2 GLY 124 7.250 -10.639 -17.597 957 2HA GLY 124 HA1 GLY 124 6.749 -9.459 -16.384 958 H ASP 125 HN ASP 125 5.129 -8.175 -17.082 959 HA ASP 125 HA ASP 125 5.234 -7.072 -19.832 960 1HB ASP 125 HB2 ASP 125 3.053 -8.832 -18.729 961 2HB ASP 125 HB1 ASP 125 2.677 -7.601 -19.935 962 H THR 126 HN THR 126 3.740 -7.103 -16.624 963 HA THR 126 HA THR 126 2.626 -4.392 -17.060 964 HB THR 126 HB THR 126 2.512 -5.974 -14.490 965 HG1 THR 126 HG1 THR 126 1.751 -7.013 -16.611 966 1HG2 THR 126 HG23 THR 126 1.771 -3.491 -14.811 967 2HG2 THR 126 HG22 THR 126 0.395 -4.190 -15.667 968 3HG2 THR 126 HG21 THR 126 0.683 -4.602 -13.976 969 H LYS 127 HN LYS 127 3.370 -2.570 -15.938 970 HA LYS 127 HA LYS 127 5.895 -2.947 -14.373 971 1HB LYS 127 HB2 LYS 127 5.149 -0.793 -16.367 972 2HB LYS 127 HB1 LYS 127 6.499 -0.632 -15.244 973 1HG LYS 127 HG2 LYS 127 7.300 -2.904 -16.156 974 2HG LYS 127 HG1 LYS 127 6.151 -2.644 -17.468 975 1HD LYS 127 HD2 LYS 127 8.192 -0.552 -16.707 976 2HD LYS 127 HD1 LYS 127 8.558 -1.831 -17.866 977 1HE LYS 127 HE2 LYS 127 6.654 -1.133 -19.259 978 2HE LYS 127 HE1 LYS 127 6.253 0.128 -18.093 979 1HZ LYS 127 HZ2 LYS 127 8.941 -0.016 -19.302 980 2HZ LYS 127 HZ1 LYS 127 7.663 0.748 -20.120 981 3HZ LYS 127 HZ3 LYS 127 8.156 1.318 -18.600 982 H MET 128 HN MET 128 6.296 -0.779 -13.059 983 HA MET 128 HA MET 128 3.837 -0.344 -11.471 984 1HB MET 128 HB2 MET 128 6.041 -0.885 -10.377 985 2HB MET 128 HB1 MET 128 6.645 0.671 -10.945 986 1HG MET 128 HG2 MET 128 5.863 0.970 -8.676 987 2HG MET 128 HG1 MET 128 4.718 1.771 -9.751 988 1HE MET 128 HE1 MET 128 3.034 2.025 -8.410 989 2HE MET 128 HE3 MET 128 1.854 0.835 -7.844 990 3HE MET 128 HE2 MET 128 3.301 1.164 -6.896 991 H ILE 129 HN ILE 129 3.027 1.778 -11.032 992 HA ILE 129 HA ILE 129 3.223 3.618 -13.269 993 HB ILE 129 HB ILE 129 1.727 5.054 -11.858 994 1HG1 ILE 129 HG12 ILE 129 1.862 2.758 -9.884 995 2HG1 ILE 129 HG11 ILE 129 2.781 4.250 -9.685 996 1HG2 ILE 129 HG21 ILE 129 1.002 3.016 -13.305 997 2HG2 ILE 129 HG23 ILE 129 0.744 2.207 -11.759 998 3HG2 ILE 129 HG22 ILE 129 -0.157 3.672 -12.149 999 1HD1 ILE 129 HD12 ILE 129 0.444 5.401 -10.063 1000 2HD1 ILE 129 HD11 ILE 129 -0.189 3.830 -9.571 1001 3HD1 ILE 129 HD13 ILE 129 0.849 4.744 -8.478 1002 HA PRO 130 HA PRO 130 6.354 6.381 -11.736 1003 1HB PRO 130 HB2 PRO 130 5.293 8.804 -12.658 1004 2HB PRO 130 HB1 PRO 130 6.289 7.682 -13.596 1005 1HG PRO 130 HG2 PRO 130 3.520 8.313 -13.953 1006 2HG PRO 130 HG1 PRO 130 4.525 7.210 -14.902 1007 1HD PRO 130 HD2 PRO 130 2.534 6.584 -12.856 1008 2HD PRO 130 HD1 PRO 130 3.300 5.511 -14.039 1009 H LEU 131 HN LEU 131 6.032 6.289 -9.453 1010 HA LEU 131 HA LEU 131 3.976 7.901 -8.152 1011 1HB LEU 131 HB2 LEU 131 6.342 6.308 -7.146 1012 2HB LEU 131 HB1 LEU 131 5.327 7.263 -6.065 1013 HG LEU 131 HG LEU 131 4.209 5.188 -7.962 1014 1HD1 LEU 131 HD11 LEU 131 5.761 4.140 -6.329 1015 2HD1 LEU 131 HD13 LEU 131 4.865 4.902 -5.014 1016 3HD1 LEU 131 HD12 LEU 131 4.083 3.687 -6.025 1017 1HD2 LEU 131 HD23 LEU 131 3.127 6.707 -5.573 1018 2HD2 LEU 131 HD22 LEU 131 2.568 6.807 -7.243 1019 3HD2 LEU 131 HD21 LEU 131 2.297 5.336 -6.309 1020 H ASN 132 HN ASN 132 4.350 9.807 -6.912 1021 HA ASN 132 HA ASN 132 6.499 11.506 -7.951 1022 1HB ASN 132 HB2 ASN 132 4.077 12.225 -7.392 1023 2HB ASN 132 HB1 ASN 132 4.611 12.229 -5.710 1024 1HD2 ASN 132 HD22 ASN 132 6.359 14.940 -8.278 1025 2HD2 ASN 132 HD21 ASN 132 5.825 13.451 -8.894 1026 H TRP 133 HN TRP 133 8.308 10.258 -7.057 1027 HA TRP 133 HA TRP 133 8.633 9.893 -4.210 1028 1HB TRP 133 HB2 TRP 133 10.696 9.956 -6.432 1029 2HB TRP 133 HB1 TRP 133 10.995 9.397 -4.786 1030 HD1 TRP 133 HD1 TRP 133 9.375 8.390 -8.050 1031 HE1 TRP 133 HE1 TRP 133 8.586 5.941 -7.891 1032 HE3 TRP 133 HE3 TRP 133 10.102 7.550 -3.065 1033 HZ2 TRP 133 HZ2 TRP 133 8.300 3.897 -5.912 1034 HZ3 TRP 133 HZ3 TRP 133 9.563 5.345 -2.071 1035 HH2 TRP 133 HH2 TRP 133 8.663 3.519 -3.486 1036 H ASP 134 HN ASP 134 8.897 12.635 -6.233 1037 HA ASP 134 HA ASP 134 10.949 14.048 -4.741 1038 1HB ASP 134 HB2 ASP 134 9.022 14.692 -6.915 1039 2HB ASP 134 HB1 ASP 134 9.601 16.046 -5.945 1040 H ASP 135 HN ASP 135 8.164 12.968 -3.581 1041 HA ASP 135 HA ASP 135 7.811 15.333 -1.799 1042 1HB ASP 135 HB2 ASP 135 6.003 15.131 -3.629 1043 2HB ASP 135 HB1 ASP 135 5.461 13.696 -2.759 1044 H PHE 136 HN PHE 136 9.206 12.730 -1.511 1045 HA PHE 136 HA PHE 136 7.768 11.811 0.929 1046 1HB PHE 136 HB2 PHE 136 8.773 10.080 -1.339 1047 2HB PHE 136 HB1 PHE 136 8.484 9.438 0.278 1048 HD1 PHE 136 HD2 PHE 136 6.160 9.831 1.324 1049 HD2 PHE 136 HD1 PHE 136 6.990 10.337 -2.859 1050 HE1 PHE 136 HE2 PHE 136 3.738 9.651 0.822 1051 HE2 PHE 136 HE1 PHE 136 4.568 10.156 -3.362 1052 HZ PHE 136 HZ PHE 136 2.942 9.813 -1.521 1053 H THR 137 HN THR 137 9.373 10.190 2.122 1054 HA THR 137 HA THR 137 12.212 10.869 1.727 1055 HB THR 137 HB THR 137 10.962 11.459 4.412 1056 HG1 THR 137 HG1 THR 137 11.703 13.609 2.922 1057 1HG2 THR 137 HG21 THR 137 13.483 11.037 4.008 1058 2HG2 THR 137 HG23 THR 137 13.472 12.605 3.200 1059 3HG2 THR 137 HG22 THR 137 13.026 12.487 4.902 1060 H LYS 138 HN LYS 138 13.564 9.300 2.638 1061 HA LYS 138 HA LYS 138 12.303 6.782 3.381 1062 1HB LYS 138 HB2 LYS 138 14.544 7.185 2.098 1063 2HB LYS 138 HB1 LYS 138 15.240 7.360 3.710 1064 1HG LYS 138 HG2 LYS 138 14.084 5.131 4.268 1065 2HG LYS 138 HG1 LYS 138 13.855 4.950 2.528 1066 1HD LYS 138 HD2 LYS 138 16.558 5.523 3.755 1067 2HD LYS 138 HD1 LYS 138 15.968 3.882 3.488 1068 1HE LYS 138 HE2 LYS 138 15.596 4.494 1.070 1069 2HE LYS 138 HE1 LYS 138 16.415 6.024 1.392 1070 1HZ LYS 138 HZ3 LYS 138 18.152 4.296 2.428 1071 2HZ LYS 138 HZ2 LYS 138 17.506 3.344 1.178 1072 3HZ LYS 138 HZ1 LYS 138 18.223 4.843 0.825 1073 H VAL 139 HN VAL 139 12.711 5.663 5.425 1074 HA VAL 139 HA VAL 139 13.633 7.324 7.694 1075 HB VAL 139 HB VAL 139 11.555 6.777 8.989 1076 1HG1 VAL 139 HG12 VAL 139 11.921 8.958 7.756 1077 2HG1 VAL 139 HG11 VAL 139 10.969 8.290 6.430 1078 3HG1 VAL 139 HG13 VAL 139 10.228 8.537 8.012 1079 1HG2 VAL 139 HG23 VAL 139 10.880 4.836 7.574 1080 2HG2 VAL 139 HG22 VAL 139 9.579 6.013 7.760 1081 3HG2 VAL 139 HG21 VAL 139 10.507 5.954 6.261 1082 H SER 140 HN SER 140 12.598 4.222 6.392 1083 HA SER 140 HA SER 140 14.444 2.870 8.273 1084 1HB SER 140 HB2 SER 140 12.179 2.825 9.339 1085 2HB SER 140 HB1 SER 140 11.563 1.987 7.918 1086 HG SER 140 HG SER 140 13.179 0.369 8.348 1087 H SER 141 HN SER 141 14.943 0.651 7.545 1088 HA SER 141 HA SER 141 14.017 -0.174 4.885 1089 1HB SER 141 HB2 SER 141 15.764 1.431 4.275 1090 2HB SER 141 HB1 SER 141 16.901 0.638 5.360 1091 HG SER 141 HG SER 141 15.596 -0.917 3.441 1092 H ARG 142 HN ARG 142 13.603 -2.279 5.361 1093 HA ARG 142 HA ARG 142 15.421 -3.747 7.193 1094 1HB ARG 142 HB2 ARG 142 12.853 -3.799 7.377 1095 2HB ARG 142 HB1 ARG 142 12.890 -4.814 5.935 1096 1HG ARG 142 HG2 ARG 142 12.977 -6.432 7.602 1097 2HG ARG 142 HG1 ARG 142 14.696 -6.165 7.313 1098 1HD ARG 142 HD2 ARG 142 13.295 -4.452 9.333 1099 2HD ARG 142 HD1 ARG 142 13.732 -6.102 9.777 1100 HE ARG 142 HE ARG 142 16.077 -5.160 8.733 1101 1HH1 ARG 142 HH21 ARG 142 13.824 -3.872 11.043 1102 2HH1 ARG 142 HH22 ARG 142 15.036 -2.994 11.914 1103 1HH2 ARG 142 HH11 ARG 142 17.640 -4.016 9.873 1104 2HH2 ARG 142 HH12 ARG 142 17.186 -3.076 11.254 1105 H THR 143 HN THR 143 17.176 -4.530 6.105 1106 HA THR 143 HA THR 143 16.885 -5.518 3.335 1107 HB THR 143 HB THR 143 19.388 -5.575 5.032 1108 HG1 THR 143 HG1 THR 143 18.573 -3.470 5.030 1109 1HG2 THR 143 HG22 THR 143 18.891 -5.387 2.048 1110 2HG2 THR 143 HG21 THR 143 20.476 -5.405 2.822 1111 3HG2 THR 143 HG23 THR 143 19.434 -6.825 2.915 1112 H VAL 144 HN VAL 144 17.126 -7.690 2.753 1113 HA VAL 144 HA VAL 144 17.706 -9.679 4.865 1114 HB VAL 144 HB VAL 144 15.260 -9.352 4.976 1115 1HG1 VAL 144 HG11 VAL 144 15.060 -8.592 2.572 1116 2HG1 VAL 144 HG13 VAL 144 15.196 -10.284 2.095 1117 3HG1 VAL 144 HG12 VAL 144 13.833 -9.752 3.079 1118 1HG2 VAL 144 HG22 VAL 144 16.314 -11.638 5.258 1119 2HG2 VAL 144 HG21 VAL 144 14.622 -11.668 4.765 1120 3HG2 VAL 144 HG23 VAL 144 15.891 -11.966 3.577 1121 H GLU 145 HN GLU 145 18.907 -11.323 4.023 1122 HA GLU 145 HA GLU 145 19.103 -11.497 1.046 1123 1HB GLU 145 HB2 GLU 145 21.078 -12.309 3.202 1124 2HB GLU 145 HB1 GLU 145 21.324 -12.548 1.472 1125 1HG GLU 145 HG2 GLU 145 21.452 -10.233 1.045 1126 2HG GLU 145 HG1 GLU 145 20.690 -9.818 2.581 1127 H ASP 146 HN ASP 146 18.175 -13.267 0.164 1128 HA ASP 146 HA ASP 146 17.285 -15.487 1.856 1129 1HB ASP 146 HB2 ASP 146 16.127 -14.443 -0.264 1130 2HB ASP 146 HB1 ASP 146 17.193 -15.538 -1.147 1131 H THR 147 HN THR 147 17.652 -17.738 0.395 1132 HA THR 147 HA THR 147 20.367 -18.467 0.927 1133 HB THR 147 HB THR 147 19.749 -20.498 -0.538 1134 HG1 THR 147 HG1 THR 147 17.776 -20.555 -1.352 1135 1HG2 THR 147 HG22 THR 147 19.562 -20.441 1.935 1136 2HG2 THR 147 HG21 THR 147 17.938 -19.774 1.781 1137 3HG2 THR 147 HG23 THR 147 18.279 -21.403 1.200 1138 H ASN 148 HN ASN 148 18.676 -17.697 -2.115 1139 HA ASN 148 HA ASN 148 21.225 -17.829 -3.608 1140 1HB ASN 148 HB2 ASN 148 18.636 -18.415 -4.311 1141 2HB ASN 148 HB1 ASN 148 18.814 -16.791 -4.973 1142 1HD2 ASN 148 HD22 ASN 148 20.374 -18.229 -7.790 1143 2HD2 ASN 148 HD21 ASN 148 19.123 -17.248 -7.194 1144 HA PRO 149 HA PRO 149 21.920 -13.435 -3.474 1145 1HB PRO 149 HB2 PRO 149 23.177 -13.182 -5.983 1146 2HB PRO 149 HB1 PRO 149 23.964 -13.566 -4.446 1147 1HG PRO 149 HG2 PRO 149 23.639 -15.265 -6.705 1148 2HG PRO 149 HG1 PRO 149 24.358 -15.666 -5.139 1149 1HD PRO 149 HD2 PRO 149 21.700 -16.332 -6.185 1150 2HD PRO 149 HD1 PRO 149 22.588 -17.055 -4.833 1151 H ALA 150 HN ALA 150 20.192 -14.823 -6.160 1152 HA ALA 150 HA ALA 150 19.369 -12.219 -7.253 1153 1HB ALA 150 HB2 ALA 150 19.688 -14.281 -8.677 1154 2HB ALA 150 HB1 ALA 150 18.265 -14.969 -7.895 1155 3HB ALA 150 HB3 ALA 150 18.115 -13.507 -8.870 1156 H LEU 151 HN LEU 151 18.236 -14.530 -4.917 1157 HA LEU 151 HA LEU 151 15.480 -13.490 -4.926 1158 1HB LEU 151 HB2 LEU 151 16.949 -15.548 -3.271 1159 2HB LEU 151 HB1 LEU 151 15.317 -15.019 -2.863 1160 HG LEU 151 HG LEU 151 16.032 -16.001 -5.629 1161 1HD1 LEU 151 HD12 LEU 151 16.529 -17.744 -3.882 1162 2HD1 LEU 151 HD11 LEU 151 14.845 -17.638 -3.370 1163 3HD1 LEU 151 HD13 LEU 151 15.239 -18.201 -4.994 1164 1HD2 LEU 151 HD22 LEU 151 13.489 -15.519 -4.065 1165 2HD2 LEU 151 HD21 LEU 151 13.965 -14.824 -5.614 1166 3HD2 LEU 151 HD23 LEU 151 13.510 -16.525 -5.514 1167 H THR 152 HN THR 152 18.062 -11.916 -4.126 1168 HA THR 152 HA THR 152 17.530 -11.236 -1.322 1169 HB THR 152 HB THR 152 19.309 -9.749 -3.268 1170 HG1 THR 152 HG1 THR 152 20.085 -11.845 -1.543 1171 1HG2 THR 152 HG22 THR 152 19.022 -9.926 -0.280 1172 2HG2 THR 152 HG21 THR 152 20.569 -9.478 -0.999 1173 3HG2 THR 152 HG23 THR 152 19.138 -8.491 -1.300 1174 H HIS 153 HN HIS 153 16.615 -9.277 -0.600 1175 HA HIS 153 HA HIS 153 15.741 -7.234 -2.502 1176 1HB HIS 153 HB2 HIS 153 13.315 -7.496 -1.919 1177 2HB HIS 153 HB1 HIS 153 13.954 -8.843 -2.860 1178 HD1 HIS 153 HD1 HIS 153 14.805 -10.958 -1.308 1179 HD2 HIS 153 HD2 HIS 153 12.116 -8.297 0.443 1180 HE1 HIS 153 HE1 HIS 153 13.807 -12.156 0.687 1181 H THR 154 HN THR 154 14.522 -5.471 -1.303 1182 HA THR 154 HA THR 154 15.063 -5.479 1.626 1183 HB THR 154 HB THR 154 15.766 -3.142 -0.169 1184 HG1 THR 154 HG1 THR 154 17.276 -5.325 0.768 1185 1HG2 THR 154 HG21 THR 154 15.955 -3.772 2.751 1186 2HG2 THR 154 HG23 THR 154 17.197 -2.750 2.027 1187 3HG2 THR 154 HG22 THR 154 15.503 -2.263 1.959 1188 H TYR 155 HN TYR 155 13.475 -4.430 2.798 1189 HA TYR 155 HA TYR 155 11.130 -3.463 1.264 1190 1HB TYR 155 HB2 TYR 155 11.546 -4.122 4.193 1191 2HB TYR 155 HB1 TYR 155 10.042 -3.462 3.550 1192 HD1 TYR 155 HD1 TYR 155 8.774 -4.743 1.788 1193 HD2 TYR 155 HD2 TYR 155 12.111 -6.424 3.907 1194 HE1 TYR 155 HE1 TYR 155 8.072 -7.016 1.090 1195 HE2 TYR 155 HE2 TYR 155 11.409 -8.698 3.208 1196 HH TYR 155 HH TYR 155 9.481 -9.358 0.776 1197 H GLU 156 HN GLU 156 11.838 -1.389 0.601 1198 HA GLU 156 HA GLU 156 12.980 0.519 2.472 1199 1HB GLU 156 HB2 GLU 156 11.708 0.972 -0.246 1200 2HB GLU 156 HB1 GLU 156 12.695 2.138 0.636 1201 1HG GLU 156 HG2 GLU 156 13.757 -0.609 -0.004 1202 2HG GLU 156 HG1 GLU 156 13.855 0.698 -1.185 1203 H VAL 157 HN VAL 157 11.868 1.750 3.905 1204 HA VAL 157 HA VAL 157 8.905 1.964 3.564 1205 HB VAL 157 HB VAL 157 10.529 2.290 6.105 1206 1HG1 VAL 157 HG11 VAL 157 7.571 2.157 5.479 1207 2HG1 VAL 157 HG13 VAL 157 8.208 1.898 7.103 1208 3HG1 VAL 157 HG12 VAL 157 8.448 3.450 6.299 1209 1HG2 VAL 157 HG23 VAL 157 9.266 -0.086 4.781 1210 2HG2 VAL 157 HG22 VAL 157 10.764 0.013 5.706 1211 3HG2 VAL 157 HG21 VAL 157 9.211 0.023 6.540 1212 H TRP 158 HN TRP 158 8.392 3.920 2.713 1213 HA TRP 158 HA TRP 158 10.008 6.295 3.540 1214 1HB TRP 158 HB2 TRP 158 8.259 5.826 1.108 1215 2HB TRP 158 HB1 TRP 158 9.018 7.369 1.497 1216 HD1 TRP 158 HD1 TRP 158 10.186 3.685 1.164 1217 HE1 TRP 158 HE1 TRP 158 12.468 3.681 -0.035 1218 HE3 TRP 158 HE3 TRP 158 10.863 8.708 0.540 1219 HZ2 TRP 158 HZ2 TRP 158 14.335 5.560 -1.116 1220 HZ3 TRP 158 HZ3 TRP 158 12.898 9.572 -0.577 1221 HH2 TRP 158 HH2 TRP 158 14.633 8.007 -1.405 1222 H GLN 159 HN GLN 159 8.651 8.363 3.644 1223 HA GLN 159 HA GLN 159 5.834 7.918 4.443 1224 1HB GLN 159 HB2 GLN 159 8.027 8.894 6.271 1225 2HB GLN 159 HB1 GLN 159 6.349 9.369 6.533 1226 1HG GLN 159 HG2 GLN 159 5.763 6.890 6.445 1227 2HG GLN 159 HG1 GLN 159 7.496 6.571 6.525 1228 1HE2 GLN 159 HE22 GLN 159 7.770 7.902 9.902 1229 2HE2 GLN 159 HE21 GLN 159 8.616 7.901 8.430 1230 H LYS 160 HN LYS 160 4.563 9.731 4.058 1231 HA LYS 160 HA LYS 160 5.599 11.771 2.318 1232 1HB LYS 160 HB2 LYS 160 3.178 10.933 2.509 1233 2HB LYS 160 HB1 LYS 160 3.042 11.989 3.915 1234 1HG LYS 160 HG2 LYS 160 3.853 13.887 2.455 1235 2HG LYS 160 HG1 LYS 160 3.702 12.802 1.074 1236 1HD LYS 160 HD2 LYS 160 1.632 13.919 1.097 1237 2HD LYS 160 HD1 LYS 160 1.279 12.408 1.935 1238 1HE LYS 160 HE2 LYS 160 0.327 14.173 3.261 1239 2HE LYS 160 HE1 LYS 160 1.772 13.621 4.108 1240 1HZ LYS 160 HZ2 LYS 160 1.696 15.940 2.258 1241 2HZ LYS 160 HZ1 LYS 160 1.599 16.060 3.950 1242 3HZ LYS 160 HZ3 LYS 160 3.005 15.450 3.222 1243 H LYS 161 HN LYS 161 6.690 13.585 2.871 1244 HA LYS 161 HA LYS 161 6.088 14.984 5.393 1245 1HB LYS 161 HB2 LYS 161 7.879 13.195 5.854 1246 2HB LYS 161 HB1 LYS 161 8.946 14.171 4.842 1247 1HG LYS 161 HG2 LYS 161 8.800 16.040 6.310 1248 2HG LYS 161 HG1 LYS 161 7.427 15.349 7.175 1249 1HD LYS 161 HD2 LYS 161 9.253 14.932 8.610 1250 2HD LYS 161 HD1 LYS 161 9.035 13.403 7.757 1251 1HE LYS 161 HE2 LYS 161 10.911 15.519 6.708 1252 2HE LYS 161 HE1 LYS 161 11.440 14.350 7.919 1253 1HZ LYS 161 HZ2 LYS 161 10.016 13.123 5.765 1254 2HZ LYS 161 HZ1 LYS 161 11.392 13.957 5.221 1255 3HZ LYS 161 HZ3 LYS 161 11.545 12.749 6.402 1256 H ALA 162 HN ALA 162 6.629 17.178 5.267 1257 HA ALA 162 HA ALA 162 8.402 18.213 3.200 1258 1HB ALA 162 HB3 ALA 162 5.403 18.563 2.931 1259 2HB ALA 162 HB2 ALA 162 6.585 19.545 2.065 1260 3HB ALA 162 HB1 ALA 162 6.494 17.808 1.769 1261 1H9 TMQ 170 H91 TMQ 170 -0.455 -10.387 -5.647 1262 2H9 TMQ 170 H92 TMQ 170 -1.057 -11.335 -4.279 1263 HN1 TMQ 170 H1N TMQ 170 0.907 -12.209 -6.262 1264 1H17 TMQ 170 HM1 TMQ 170 -1.306 -8.981 -4.494 1265 2H17 TMQ 170 HM2 TMQ 170 -0.503 -7.416 -4.370 1266 3H17 TMQ 170 HM3 TMQ 170 -1.327 -8.105 -2.965 1267 1H21 TMQ 170 HW11 TMQ 170 -0.745 -13.196 -0.913 1268 2H21 TMQ 170 HW12 TMQ 170 -1.967 -14.181 -0.095 1269 3H21 TMQ 170 HW13 TMQ 170 -2.278 -13.557 -1.722 1270 1H22 TMQ 170 HI1 TMQ 170 1.350 -17.808 -3.177 1271 2H22 TMQ 170 HI2 TMQ 170 0.679 -17.011 -1.745 1272 3H22 TMQ 170 HI3 TMQ 170 0.305 -18.711 -2.070 1273 1H23 TMQ 170 HW21 TMQ 170 1.930 -16.608 -6.766 1274 2H23 TMQ 170 HW22 TMQ 170 0.510 -16.272 -7.771 1275 3H23 TMQ 170 HW23 TMQ 170 1.098 -17.933 -7.597 1276 1HN2 TMQ 170 HN21 TMQ 170 5.337 -7.417 0.168 1277 2HN2 TMQ 170 HN22 TMQ 170 4.435 -5.950 0.359 1278 1HN5 TMQ 170 HN41 TMQ 170 0.455 -5.286 -1.649 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.334 -6.411 -2.664 1280 HN TMQ 170 H1 TMQ 170 4.511 -9.099 -1.142 1281 H7 TMQ 170 H7 TMQ 170 2.182 -12.028 -3.940 1282 H8 TMQ 170 H8 TMQ 170 3.847 -11.000 -2.463 1283 H12 TMQ 170 HP2 TMQ 170 -0.379 -12.768 -2.921 1284 H16 TMQ 170 HP6 TMQ 170 0.542 -14.560 -6.742 No H/Q in entry = 1284 Start of MODEL 14 1 1H THR 1 HT2 THR 1 -2.610 6.371 4.568 2 2H THR 1 HT1 THR 1 -3.850 7.070 3.639 3 3H THR 1 HT3 THR 1 -4.236 6.028 4.921 4 HA THR 1 HA THR 1 -4.255 4.330 3.524 5 HB THR 1 HB THR 1 -2.944 6.057 1.415 6 HG1 THR 1 HG1 THR 1 -4.926 6.874 2.654 7 1HG2 THR 1 HG23 THR 1 -4.663 3.594 1.473 8 2HG2 THR 1 HG22 THR 1 -4.684 4.646 0.057 9 3HG2 THR 1 HG21 THR 1 -3.176 3.890 0.572 10 H ALA 2 HN ALA 2 -2.847 2.645 2.735 11 HA ALA 2 HA ALA 2 0.071 3.181 3.092 12 1HB ALA 2 HB3 ALA 2 -1.598 0.951 4.264 13 2HB ALA 2 HB2 ALA 2 0.149 0.799 4.067 14 3HB ALA 2 HB1 ALA 2 -0.516 2.062 5.104 15 H PHE 3 HN PHE 3 0.957 2.830 1.119 16 HA PHE 3 HA PHE 3 -0.293 0.943 -0.770 17 1HB PHE 3 HB2 PHE 3 1.929 2.965 -0.922 18 2HB PHE 3 HB1 PHE 3 1.789 1.723 -2.165 19 HD1 PHE 3 HD1 PHE 3 -0.677 3.805 -0.237 20 HD2 PHE 3 HD2 PHE 3 0.746 2.518 -4.080 21 HE1 PHE 3 HE1 PHE 3 -2.481 5.103 -1.340 22 HE2 PHE 3 HE2 PHE 3 -1.058 3.814 -5.183 23 HZ PHE 3 HZ PHE 3 -2.671 5.107 -3.814 24 H LEU 4 HN LEU 4 0.868 -0.861 -1.682 25 HA LEU 4 HA LEU 4 3.442 -1.686 -0.587 26 1HB LEU 4 HB2 LEU 4 1.866 -2.266 1.272 27 2HB LEU 4 HB1 LEU 4 0.987 -3.307 0.153 28 HG LEU 4 HG LEU 4 3.266 -4.441 -0.286 29 1HD1 LEU 4 HD11 LEU 4 3.836 -2.772 2.161 30 2HD1 LEU 4 HD13 LEU 4 4.707 -4.274 1.858 31 3HD1 LEU 4 HD12 LEU 4 4.809 -2.947 0.701 32 1HD2 LEU 4 HD23 LEU 4 1.722 -4.629 2.307 33 2HD2 LEU 4 HD22 LEU 4 1.608 -5.676 0.891 34 3HD2 LEU 4 HD21 LEU 4 3.035 -5.744 1.925 35 H TRP 5 HN TRP 5 4.293 -2.340 -2.515 36 HA TRP 5 HA TRP 5 2.833 -4.447 -4.016 37 1HB TRP 5 HB2 TRP 5 3.307 -3.330 -6.162 38 2HB TRP 5 HB1 TRP 5 2.301 -2.311 -5.137 39 HD1 TRP 5 HD1 TRP 5 5.413 -2.267 -7.097 40 HE1 TRP 5 HE1 TRP 5 6.786 -0.145 -6.598 41 HE3 TRP 5 HE3 TRP 5 2.979 -0.595 -2.926 42 HZ2 TRP 5 HZ2 TRP 5 6.849 1.978 -4.687 43 HZ3 TRP 5 HZ3 TRP 5 3.721 1.477 -1.788 44 HH2 TRP 5 HH2 TRP 5 5.649 2.765 -2.663 45 H ALA 6 HN ALA 6 4.214 -5.912 -5.084 46 HA ALA 6 HA ALA 6 7.053 -5.773 -4.226 47 1HB ALA 6 HB3 ALA 6 5.621 -7.851 -3.871 48 2HB ALA 6 HB2 ALA 6 5.651 -8.066 -5.621 49 3HB ALA 6 HB1 ALA 6 7.154 -8.123 -4.700 50 H GLN 7 HN GLN 7 8.385 -4.774 -5.660 51 HA GLN 7 HA GLN 7 8.041 -5.415 -8.557 52 1HB GLN 7 HB2 GLN 7 8.724 -3.067 -9.071 53 2HB GLN 7 HB1 GLN 7 7.186 -3.156 -8.214 54 1HG GLN 7 HG2 GLN 7 8.147 -1.603 -6.845 55 2HG GLN 7 HG1 GLN 7 8.911 -3.013 -6.110 56 1HE2 GLN 7 HE22 GLN 7 12.150 -2.125 -7.185 57 2HE2 GLN 7 HE21 GLN 7 11.183 -3.201 -6.296 58 H ASP 8 HN ASP 8 10.023 -5.416 -9.767 59 HA ASP 8 HA ASP 8 12.426 -5.818 -8.050 60 1HB ASP 8 HB2 ASP 8 13.352 -6.947 -10.122 61 2HB ASP 8 HB1 ASP 8 11.948 -7.745 -9.416 62 H ARG 9 HN ARG 9 14.541 -5.168 -9.233 63 HA ARG 9 HA ARG 9 14.538 -2.351 -9.664 64 1HB ARG 9 HB2 ARG 9 16.870 -2.714 -10.509 65 2HB ARG 9 HB1 ARG 9 16.563 -3.498 -8.959 66 1HG ARG 9 HG2 ARG 9 16.104 -5.630 -10.151 67 2HG ARG 9 HG1 ARG 9 16.494 -4.837 -11.679 68 1HD ARG 9 HD2 ARG 9 18.462 -4.759 -9.407 69 2HD ARG 9 HD1 ARG 9 18.363 -6.188 -10.436 70 HE ARG 9 HE ARG 9 19.186 -4.887 -12.272 71 1HH1 ARG 9 HH21 ARG 9 18.645 -3.000 -9.406 72 2HH1 ARG 9 HH22 ARG 9 19.527 -1.632 -9.996 73 1HH2 ARG 9 HH11 ARG 9 20.329 -3.105 -13.027 74 2HH2 ARG 9 HH12 ARG 9 20.475 -1.692 -12.037 75 H ASP 10 HN ASP 10 13.829 -4.968 -11.804 76 HA ASP 10 HA ASP 10 14.447 -3.542 -14.273 77 1HB ASP 10 HB2 ASP 10 12.926 -6.070 -13.627 78 2HB ASP 10 HB1 ASP 10 12.993 -5.422 -15.266 79 H GLY 11 HN GLY 11 12.402 -2.576 -12.079 80 1HA GLY 11 HA2 GLY 11 10.448 -1.279 -12.108 81 2HA GLY 11 HA1 GLY 11 10.698 -1.116 -13.847 82 H LEU 12 HN LEU 12 10.244 -4.162 -12.099 83 HA LEU 12 HA LEU 12 7.788 -4.619 -13.737 84 1HB LEU 12 HB2 LEU 12 9.954 -6.190 -13.656 85 2HB LEU 12 HB1 LEU 12 9.115 -6.840 -12.247 86 HG LEU 12 HG LEU 12 7.037 -6.973 -13.756 87 1HD1 LEU 12 HD11 LEU 12 8.137 -5.490 -15.519 88 2HD1 LEU 12 HD13 LEU 12 9.127 -6.885 -15.943 89 3HD1 LEU 12 HD12 LEU 12 7.375 -6.959 -16.126 90 1HD2 LEU 12 HD23 LEU 12 8.639 -8.870 -13.042 91 2HD2 LEU 12 HD22 LEU 12 7.621 -9.165 -14.451 92 3HD2 LEU 12 HD21 LEU 12 9.317 -8.734 -14.664 93 H ILE 13 HN ILE 13 6.103 -6.008 -12.591 94 HA ILE 13 HA ILE 13 6.051 -5.600 -9.648 95 HB ILE 13 HB ILE 13 3.693 -4.760 -9.825 96 1HG1 ILE 13 HG12 ILE 13 4.375 -4.394 -12.757 97 2HG1 ILE 13 HG11 ILE 13 3.351 -5.695 -12.149 98 1HG2 ILE 13 HG22 ILE 13 5.802 -3.113 -11.254 99 2HG2 ILE 13 HG21 ILE 13 4.326 -2.475 -10.532 100 3HG2 ILE 13 HG23 ILE 13 5.568 -3.196 -9.508 101 1HD1 ILE 13 HD12 ILE 13 2.817 -2.746 -11.689 102 2HD1 ILE 13 HD11 ILE 13 2.043 -3.713 -12.945 103 3HD1 ILE 13 HD13 ILE 13 1.762 -4.089 -11.245 104 H GLY 14 HN GLY 14 4.843 -7.197 -12.532 105 1HA GLY 14 HA2 GLY 14 4.471 -9.700 -11.190 106 2HA GLY 14 HA1 GLY 14 2.904 -8.915 -11.398 107 H LYS 15 HN LYS 15 2.848 -11.096 -12.747 108 HA LYS 15 HA LYS 15 2.905 -10.306 -15.549 109 1HB LYS 15 HB2 LYS 15 5.301 -11.001 -15.044 110 2HB LYS 15 HB1 LYS 15 4.680 -12.626 -14.757 111 1HG LYS 15 HG2 LYS 15 3.568 -12.390 -17.087 112 2HG LYS 15 HG1 LYS 15 4.687 -11.047 -17.324 113 1HD LYS 15 HD2 LYS 15 5.869 -12.896 -18.186 114 2HD LYS 15 HD1 LYS 15 6.520 -12.718 -16.556 115 1HE LYS 15 HE2 LYS 15 5.261 -14.537 -15.725 116 2HE LYS 15 HE1 LYS 15 4.160 -14.516 -17.104 117 1HZ LYS 15 HZ2 LYS 15 6.548 -14.886 -18.282 118 2HZ LYS 15 HZ1 LYS 15 6.751 -15.752 -16.835 119 3HZ LYS 15 HZ3 LYS 15 5.470 -16.134 -17.878 120 H ASP 16 HN ASP 16 1.119 -11.245 -16.397 121 HA ASP 16 HA ASP 16 -0.654 -12.743 -16.719 122 1HB ASP 16 HB2 ASP 16 1.668 -14.458 -16.001 123 2HB ASP 16 HB1 ASP 16 0.074 -15.205 -15.882 124 H GLY 17 HN GLY 17 -0.316 -11.304 -14.135 125 1HA GLY 17 HA2 GLY 17 -1.881 -11.223 -12.315 126 2HA GLY 17 HA1 GLY 17 -2.240 -12.930 -12.579 127 H HIS 18 HN HIS 18 -0.105 -14.340 -12.276 128 HA HIS 18 HA HIS 18 0.682 -14.003 -9.506 129 1HB HIS 18 HB2 HIS 18 2.153 -15.983 -9.971 130 2HB HIS 18 HB1 HIS 18 0.468 -16.246 -10.420 131 HD1 HIS 18 HD1 HIS 18 3.893 -15.857 -11.864 132 HD2 HIS 18 HD2 HIS 18 -0.012 -16.306 -13.253 133 HE1 HIS 18 HE1 HIS 18 4.067 -16.385 -14.335 134 H LEU 19 HN LEU 19 3.242 -14.361 -9.128 135 HA LEU 19 HA LEU 19 4.503 -11.973 -10.336 136 1HB LEU 19 HB2 LEU 19 5.128 -13.742 -7.978 137 2HB LEU 19 HB1 LEU 19 6.351 -12.648 -8.625 138 HG LEU 19 HG LEU 19 3.570 -11.703 -7.914 139 1HD1 LEU 19 HD13 LEU 19 6.056 -11.728 -6.174 140 2HD1 LEU 19 HD12 LEU 19 4.544 -10.910 -5.779 141 3HD1 LEU 19 HD11 LEU 19 4.591 -12.669 -5.893 142 1HD2 LEU 19 HD22 LEU 19 6.195 -10.470 -8.672 143 2HD2 LEU 19 HD21 LEU 19 4.567 -10.043 -9.199 144 3HD2 LEU 19 HD23 LEU 19 5.126 -9.576 -7.591 145 HA PRO 20 HA PRO 20 7.186 -14.327 -12.999 146 1HB PRO 20 HB2 PRO 20 9.321 -12.528 -13.079 147 2HB PRO 20 HB1 PRO 20 7.873 -12.457 -14.093 148 1HG PRO 20 HG2 PRO 20 8.671 -10.661 -12.002 149 2HG PRO 20 HG1 PRO 20 7.261 -10.558 -13.063 150 1HD PRO 20 HD2 PRO 20 7.396 -11.413 -10.278 151 2HD PRO 20 HD1 PRO 20 5.975 -11.028 -11.263 152 H TRP 21 HN TRP 21 8.478 -13.113 -9.956 153 HA TRP 21 HA TRP 21 10.636 -15.172 -10.054 154 1HB TRP 21 HB2 TRP 21 11.589 -13.899 -8.111 155 2HB TRP 21 HB1 TRP 21 11.465 -12.936 -9.582 156 HD1 TRP 21 HD1 TRP 21 9.727 -13.466 -6.202 157 HE1 TRP 21 HE1 TRP 21 8.349 -11.359 -5.648 158 HE3 TRP 21 HE3 TRP 21 10.321 -10.859 -10.552 159 HZ2 TRP 21 HZ2 TRP 21 7.599 -8.892 -6.888 160 HZ3 TRP 21 HZ3 TRP 21 9.265 -8.635 -10.838 161 HH2 TRP 21 HH2 TRP 21 7.906 -7.649 -9.014 162 H HIS 22 HN HIS 22 11.104 -15.781 -7.506 163 HA HIS 22 HA HIS 22 8.487 -16.546 -6.288 164 1HB HIS 22 HB2 HIS 22 9.595 -18.423 -7.655 165 2HB HIS 22 HB1 HIS 22 10.843 -18.435 -6.409 166 HD1 HIS 22 HD1 HIS 22 7.016 -18.431 -6.433 167 HD2 HIS 22 HD2 HIS 22 10.197 -20.230 -4.426 168 HE1 HIS 22 HE1 HIS 22 5.993 -20.018 -4.744 169 H LEU 23 HN LEU 23 8.616 -15.267 -4.471 170 HA LEU 23 HA LEU 23 11.042 -15.614 -2.755 171 1HB LEU 23 HB2 LEU 23 10.694 -13.304 -3.854 172 2HB LEU 23 HB1 LEU 23 9.321 -13.130 -2.760 173 HG LEU 23 HG LEU 23 10.854 -13.601 -0.838 174 1HD1 LEU 23 HD12 LEU 23 12.828 -13.730 -3.105 175 2HD1 LEU 23 HD11 LEU 23 13.356 -13.207 -1.505 176 3HD1 LEU 23 HD13 LEU 23 12.656 -14.811 -1.723 177 1HD2 LEU 23 HD22 LEU 23 10.408 -11.252 -2.111 178 2HD2 LEU 23 HD21 LEU 23 11.410 -11.380 -0.666 179 3HD2 LEU 23 HD23 LEU 23 12.163 -11.339 -2.260 180 HA PRO 24 HA PRO 24 7.375 -17.579 -0.615 181 1HB PRO 24 HB2 PRO 24 9.455 -18.593 1.162 182 2HB PRO 24 HB1 PRO 24 8.320 -19.489 0.144 183 1HG PRO 24 HG2 PRO 24 11.099 -19.002 -0.314 184 2HG PRO 24 HG1 PRO 24 9.964 -19.912 -1.321 185 1HD PRO 24 HD2 PRO 24 11.146 -17.443 -1.961 186 2HD PRO 24 HD1 PRO 24 9.795 -18.213 -2.806 187 H ASP 25 HN ASP 25 10.203 -15.898 0.737 188 HA ASP 25 HA ASP 25 9.099 -15.340 3.313 189 1HB ASP 25 HB2 ASP 25 11.530 -14.974 2.272 190 2HB ASP 25 HB1 ASP 25 10.905 -13.346 2.010 191 H ASP 26 HN ASP 26 9.121 -13.408 0.308 192 HA ASP 26 HA ASP 26 7.638 -11.199 1.373 193 1HB ASP 26 HB2 ASP 26 8.940 -11.140 -0.762 194 2HB ASP 26 HB1 ASP 26 7.719 -12.179 -1.498 195 H LEU 27 HN LEU 27 6.683 -14.322 0.099 196 HA LEU 27 HA LEU 27 3.883 -13.663 -0.267 197 1HB LEU 27 HB2 LEU 27 5.215 -16.358 0.147 198 2HB LEU 27 HB1 LEU 27 3.571 -16.103 -0.441 199 HG LEU 27 HG LEU 27 6.057 -15.035 -1.808 200 1HD1 LEU 27 HD13 LEU 27 4.506 -17.581 -2.091 201 2HD1 LEU 27 HD12 LEU 27 5.163 -16.830 -3.545 202 3HD1 LEU 27 HD11 LEU 27 6.242 -17.308 -2.235 203 1HD2 LEU 27 HD23 LEU 27 3.120 -14.812 -2.243 204 2HD2 LEU 27 HD22 LEU 27 4.403 -13.668 -2.634 205 3HD2 LEU 27 HD21 LEU 27 4.112 -15.057 -3.680 206 H HIS 28 HN HIS 28 5.859 -14.560 2.450 207 HA HIS 28 HA HIS 28 3.550 -15.308 4.122 208 1HB HIS 28 HB2 HIS 28 6.519 -15.060 4.650 209 2HB HIS 28 HB1 HIS 28 5.355 -15.403 5.930 210 HD1 HIS 28 HD1 HIS 28 3.486 -17.384 4.686 211 HD2 HIS 28 HD2 HIS 28 7.595 -17.520 3.998 212 HE1 HIS 28 HE1 HIS 28 4.013 -19.752 3.960 213 H TYR 29 HN TYR 29 5.576 -12.527 3.489 214 HA TYR 29 HA TYR 29 4.869 -11.026 5.853 215 1HB TYR 29 HB2 TYR 29 6.827 -10.580 4.267 216 2HB TYR 29 HB1 TYR 29 5.648 -9.858 3.173 217 HD1 TYR 29 HD2 TYR 29 6.299 -9.781 6.875 218 HD2 TYR 29 HD1 TYR 29 5.553 -7.541 3.286 219 HE1 TYR 29 HE2 TYR 29 6.381 -7.670 8.175 220 HE2 TYR 29 HE1 TYR 29 5.635 -5.431 4.586 221 HH TYR 29 HH TYR 29 6.400 -5.443 8.062 222 H PHE 30 HN PHE 30 3.355 -11.547 2.739 223 HA PHE 30 HA PHE 30 1.526 -9.325 2.831 224 1HB PHE 30 HB2 PHE 30 2.065 -10.710 0.787 225 2HB PHE 30 HB1 PHE 30 1.084 -12.002 1.480 226 HD1 PHE 30 HD2 PHE 30 1.003 -8.479 0.285 227 HD2 PHE 30 HD1 PHE 30 -1.300 -11.925 1.413 228 HE1 PHE 30 HE2 PHE 30 -1.047 -7.395 -0.592 229 HE2 PHE 30 HE1 PHE 30 -3.351 -10.842 0.536 230 HZ PHE 30 HZ PHE 30 -3.224 -8.576 -0.466 231 H ARG 31 HN ARG 31 1.225 -12.742 3.815 232 HA ARG 31 HA ARG 31 -1.485 -12.513 4.751 233 1HB ARG 31 HB2 ARG 31 -0.049 -14.642 4.250 234 2HB ARG 31 HB1 ARG 31 0.491 -14.460 5.918 235 1HG ARG 31 HG2 ARG 31 -1.760 -14.624 6.751 236 2HG ARG 31 HG1 ARG 31 -2.429 -14.529 5.121 237 1HD ARG 31 HD2 ARG 31 -0.579 -16.748 6.034 238 2HD ARG 31 HD1 ARG 31 -2.338 -16.869 6.083 239 HE ARG 31 HE ARG 31 -1.335 -16.100 3.457 240 1HH1 ARG 31 HH11 ARG 31 -2.011 -18.735 5.618 241 2HH1 ARG 31 HH12 ARG 31 -2.204 -19.889 4.340 242 1HH2 ARG 31 HH21 ARG 31 -1.587 -17.607 1.808 243 2HH2 ARG 31 HH22 ARG 31 -1.966 -19.252 2.194 244 H ALA 32 HN ALA 32 1.616 -11.731 6.150 245 HA ALA 32 HA ALA 32 0.615 -11.569 8.894 246 1HB ALA 32 HB3 ALA 32 3.186 -10.721 7.545 247 2HB ALA 32 HB2 ALA 32 2.857 -10.372 9.243 248 3HB ALA 32 HB1 ALA 32 2.942 -12.044 8.687 249 H GLN 33 HN GLN 33 0.945 -9.422 6.149 250 HA GLN 33 HA GLN 33 0.131 -7.106 7.846 251 1HB GLN 33 HB2 GLN 33 1.290 -7.256 5.049 252 2HB GLN 33 HB1 GLN 33 0.728 -5.760 5.796 253 1HG GLN 33 HG2 GLN 33 2.789 -7.558 7.089 254 2HG GLN 33 HG1 GLN 33 3.222 -6.220 6.024 255 1HE2 GLN 33 HE22 GLN 33 1.802 -3.767 8.381 256 2HE2 GLN 33 HE21 GLN 33 1.692 -4.126 6.726 257 H THR 34 HN THR 34 -1.746 -9.201 7.133 258 HA THR 34 HA THR 34 -3.691 -7.536 5.611 259 HB THR 34 HB THR 34 -4.483 -9.722 4.528 260 HG1 THR 34 HG1 THR 34 -2.563 -11.176 4.344 261 1HG2 THR 34 HG22 THR 34 -1.917 -8.295 3.905 262 2HG2 THR 34 HG21 THR 34 -2.414 -9.666 2.914 263 3HG2 THR 34 HG23 THR 34 -3.453 -8.247 3.043 264 H VAL 35 HN VAL 35 -2.999 -9.994 7.997 265 HA VAL 35 HA VAL 35 -5.723 -10.679 8.637 266 HB VAL 35 HB VAL 35 -4.730 -11.518 10.782 267 1HG1 VAL 35 HG13 VAL 35 -3.291 -12.213 8.204 268 2HG1 VAL 35 HG12 VAL 35 -3.208 -13.177 9.678 269 3HG1 VAL 35 HG11 VAL 35 -4.746 -12.981 8.840 270 1HG2 VAL 35 HG22 VAL 35 -2.272 -10.191 9.607 271 2HG2 VAL 35 HG21 VAL 35 -3.004 -9.897 11.184 272 3HG2 VAL 35 HG23 VAL 35 -2.184 -11.426 10.863 273 H GLY 36 HN GLY 36 -7.204 -9.426 9.648 274 1HA GLY 36 HA2 GLY 36 -8.119 -7.811 11.093 275 2HA GLY 36 HA1 GLY 36 -6.541 -7.696 11.872 276 H LYS 37 HN LYS 37 -7.222 -7.177 8.434 277 HA LYS 37 HA LYS 37 -6.877 -4.253 8.765 278 1HB LYS 37 HB2 LYS 37 -5.000 -6.058 7.228 279 2HB LYS 37 HB1 LYS 37 -5.152 -4.339 6.858 280 1HG LYS 37 HG2 LYS 37 -4.532 -5.405 9.625 281 2HG LYS 37 HG1 LYS 37 -3.296 -4.884 8.480 282 1HD LYS 37 HD2 LYS 37 -4.597 -2.671 8.338 283 2HD LYS 37 HD1 LYS 37 -5.453 -3.218 9.780 284 1HE LYS 37 HE2 LYS 37 -3.631 -1.927 10.601 285 2HE LYS 37 HE1 LYS 37 -3.138 -3.607 10.816 286 1HZ LYS 37 HZ3 LYS 37 -2.227 -3.196 8.381 287 2HZ LYS 37 HZ2 LYS 37 -2.141 -1.597 8.952 288 3HZ LYS 37 HZ1 LYS 37 -1.309 -2.838 9.762 289 H ILE 38 HN ILE 38 -7.318 -3.116 6.658 290 HA ILE 38 HA ILE 38 -9.481 -4.537 5.211 291 HB ILE 38 HB ILE 38 -8.625 -1.634 5.009 292 1HG1 ILE 38 HG12 ILE 38 -10.910 -2.814 6.614 293 2HG1 ILE 38 HG11 ILE 38 -9.354 -2.377 7.319 294 1HG2 ILE 38 HG23 ILE 38 -11.035 -3.207 4.078 295 2HG2 ILE 38 HG22 ILE 38 -11.050 -1.448 4.213 296 3HG2 ILE 38 HG21 ILE 38 -9.930 -2.238 3.103 297 1HD1 ILE 38 HD13 ILE 38 -10.801 -0.349 5.652 298 2HD1 ILE 38 HD12 ILE 38 -11.345 -0.635 7.305 299 3HD1 ILE 38 HD11 ILE 38 -9.692 -0.101 7.001 300 H MET 39 HN MET 39 -8.601 -5.790 3.603 301 HA MET 39 HA MET 39 -6.319 -4.810 2.018 302 1HB MET 39 HB2 MET 39 -6.617 -7.233 2.720 303 2HB MET 39 HB1 MET 39 -7.954 -7.321 1.573 304 1HG MET 39 HG2 MET 39 -6.357 -6.513 -0.212 305 2HG MET 39 HG1 MET 39 -5.053 -6.706 0.958 306 1HE MET 39 HE1 MET 39 -7.932 -8.080 -0.842 307 2HE MET 39 HE3 MET 39 -7.674 -9.817 -1.056 308 3HE MET 39 HE2 MET 39 -8.310 -9.198 0.466 309 H VAL 40 HN VAL 40 -6.900 -3.217 0.590 310 HA VAL 40 HA VAL 40 -9.455 -3.451 -0.896 311 HB VAL 40 HB VAL 40 -7.378 -1.242 -0.985 312 1HG1 VAL 40 HG13 VAL 40 -10.230 -1.512 -1.960 313 2HG1 VAL 40 HG12 VAL 40 -9.439 0.052 -1.765 314 3HG1 VAL 40 HG11 VAL 40 -8.795 -1.125 -2.909 315 1HG2 VAL 40 HG22 VAL 40 -9.910 -1.514 0.669 316 2HG2 VAL 40 HG21 VAL 40 -8.259 -1.499 1.291 317 3HG2 VAL 40 HG23 VAL 40 -8.935 -0.049 0.549 318 H VAL 41 HN VAL 41 -9.483 -4.335 -2.898 319 HA VAL 41 HA VAL 41 -7.059 -4.126 -4.608 320 HB VAL 41 HB VAL 41 -7.328 -6.538 -5.241 321 1HG1 VAL 41 HG12 VAL 41 -5.917 -5.475 -3.202 322 2HG1 VAL 41 HG11 VAL 41 -6.940 -6.586 -2.292 323 3HG1 VAL 41 HG13 VAL 41 -5.897 -7.198 -3.574 324 1HG2 VAL 41 HG22 VAL 41 -9.245 -6.501 -2.886 325 2HG2 VAL 41 HG21 VAL 41 -9.660 -6.840 -4.567 326 3HG2 VAL 41 HG23 VAL 41 -8.643 -7.965 -3.665 327 H GLY 42 HN GLY 42 -7.607 -4.773 -6.910 328 1HA GLY 42 HA2 GLY 42 -10.235 -3.630 -7.614 329 2HA GLY 42 HA1 GLY 42 -8.928 -3.996 -8.743 330 H ARG 43 HN ARG 43 -10.753 -4.989 -10.005 331 HA ARG 43 HA ARG 43 -11.914 -7.471 -8.964 332 1HB ARG 43 HB2 ARG 43 -12.981 -5.801 -10.649 333 2HB ARG 43 HB1 ARG 43 -11.975 -6.609 -11.853 334 1HG ARG 43 HG2 ARG 43 -12.948 -8.805 -11.041 335 2HG ARG 43 HG1 ARG 43 -14.097 -7.861 -10.093 336 1HD ARG 43 HD2 ARG 43 -15.155 -8.415 -12.196 337 2HD ARG 43 HD1 ARG 43 -14.775 -6.692 -12.220 338 HE ARG 43 HE ARG 43 -12.564 -8.026 -13.363 339 1HH1 ARG 43 HH21 ARG 43 -15.950 -7.561 -13.983 340 2HH1 ARG 43 HH22 ARG 43 -15.775 -7.693 -15.701 341 1HH2 ARG 43 HH11 ARG 43 -12.349 -8.196 -15.593 342 2HH2 ARG 43 HH12 ARG 43 -13.745 -8.051 -16.607 343 H ARG 44 HN ARG 44 -9.374 -6.533 -11.249 344 HA ARG 44 HA ARG 44 -8.834 -9.182 -12.234 345 1HB ARG 44 HB2 ARG 44 -8.061 -6.917 -13.203 346 2HB ARG 44 HB1 ARG 44 -6.772 -6.988 -12.000 347 1HG ARG 44 HG2 ARG 44 -6.162 -9.262 -12.888 348 2HG ARG 44 HG1 ARG 44 -7.336 -9.014 -14.181 349 1HD ARG 44 HD2 ARG 44 -5.182 -8.357 -15.041 350 2HD ARG 44 HD1 ARG 44 -6.106 -6.881 -14.763 351 HE ARG 44 HE ARG 44 -4.733 -7.211 -12.394 352 1HH1 ARG 44 HH11 ARG 44 -3.827 -7.164 -15.748 353 2HH1 ARG 44 HH12 ARG 44 -2.246 -6.529 -15.435 354 1HH2 ARG 44 HH21 ARG 44 -2.679 -6.387 -12.001 355 2HH2 ARG 44 HH22 ARG 44 -1.601 -6.092 -13.323 356 H THR 45 HN THR 45 -7.461 -7.263 -9.567 357 HA THR 45 HA THR 45 -5.532 -9.287 -8.804 358 HB THR 45 HB THR 45 -6.676 -7.099 -7.047 359 HG1 THR 45 HG1 THR 45 -4.872 -5.900 -7.891 360 1HG2 THR 45 HG21 THR 45 -4.026 -8.568 -7.106 361 2HG2 THR 45 HG23 THR 45 -4.400 -7.214 -6.039 362 3HG2 THR 45 HG22 THR 45 -5.286 -8.732 -5.883 363 H TYR 46 HN TYR 46 -8.900 -8.698 -8.104 364 HA TYR 46 HA TYR 46 -9.122 -10.228 -5.691 365 1HB TYR 46 HB2 TYR 46 -10.872 -8.664 -6.668 366 2HB TYR 46 HB1 TYR 46 -11.253 -9.940 -7.824 367 HD1 TYR 46 HD1 TYR 46 -10.712 -9.532 -4.128 368 HD2 TYR 46 HD2 TYR 46 -12.955 -11.425 -7.265 369 HE1 TYR 46 HE1 TYR 46 -12.146 -10.641 -2.435 370 HE2 TYR 46 HE2 TYR 46 -14.388 -12.533 -5.572 371 HH TYR 46 HH TYR 46 -14.793 -12.825 -3.416 372 H GLU 47 HN GLU 47 -9.393 -11.122 -9.123 373 HA GLU 47 HA GLU 47 -9.888 -13.943 -8.448 374 1HB GLU 47 HB2 GLU 47 -9.575 -12.414 -11.033 375 2HB GLU 47 HB1 GLU 47 -9.643 -14.176 -11.006 376 1HG GLU 47 HG2 GLU 47 -11.841 -14.205 -10.167 377 2HG GLU 47 HG1 GLU 47 -11.740 -12.540 -9.593 378 H SER 48 HN SER 48 -7.183 -11.887 -9.114 379 HA SER 48 HA SER 48 -5.328 -13.815 -10.120 380 1HB SER 48 HB2 SER 48 -5.004 -11.236 -8.587 381 2HB SER 48 HB1 SER 48 -3.611 -12.218 -9.031 382 HG SER 48 HG SER 48 -4.362 -12.088 -11.211 383 H PHE 49 HN PHE 49 -6.598 -13.243 -6.930 384 HA PHE 49 HA PHE 49 -4.524 -14.452 -5.377 385 1HB PHE 49 HB2 PHE 49 -7.516 -14.279 -4.905 386 2HB PHE 49 HB1 PHE 49 -6.358 -14.843 -3.698 387 HD1 PHE 49 HD1 PHE 49 -4.119 -13.151 -3.751 388 HD2 PHE 49 HD2 PHE 49 -8.211 -12.094 -4.519 389 HE1 PHE 49 HE1 PHE 49 -3.630 -10.803 -3.120 390 HE2 PHE 49 HE2 PHE 49 -7.722 -9.746 -3.887 391 HZ PHE 49 HZ PHE 49 -5.431 -9.101 -3.188 392 HA PRO 50 HA PRO 50 -5.086 -18.788 -6.199 393 1HB PRO 50 HB2 PRO 50 -4.358 -19.771 -3.681 394 2HB PRO 50 HB1 PRO 50 -3.248 -19.359 -4.995 395 1HG PRO 50 HG2 PRO 50 -3.582 -18.033 -2.479 396 2HG PRO 50 HG1 PRO 50 -2.451 -17.646 -3.783 397 1HD PRO 50 HD2 PRO 50 -4.956 -16.323 -3.068 398 2HD PRO 50 HD1 PRO 50 -3.664 -15.767 -4.143 399 H LYS 51 HN LYS 51 -5.958 -18.554 -2.740 400 HA LYS 51 HA LYS 51 -8.516 -19.949 -3.395 401 1HB LYS 51 HB2 LYS 51 -6.852 -21.006 -1.768 402 2HB LYS 51 HB1 LYS 51 -7.245 -19.690 -0.662 403 1HG LYS 51 HG2 LYS 51 -9.628 -20.323 -0.748 404 2HG LYS 51 HG1 LYS 51 -9.238 -21.641 -1.854 405 1HD LYS 51 HD2 LYS 51 -7.588 -22.424 -0.016 406 2HD LYS 51 HD1 LYS 51 -8.488 -21.347 1.052 407 1HE LYS 51 HE2 LYS 51 -10.452 -22.594 0.877 408 2HE LYS 51 HE1 LYS 51 -9.983 -23.301 -0.669 409 1HZ LYS 51 HZ3 LYS 51 -8.245 -24.544 0.504 410 2HZ LYS 51 HZ2 LYS 51 -8.793 -23.911 1.983 411 3HZ LYS 51 HZ1 LYS 51 -9.796 -24.933 1.069 412 H ARG 52 HN ARG 52 -9.813 -18.144 -3.873 413 HA ARG 52 HA ARG 52 -10.008 -16.002 -1.817 414 1HB ARG 52 HB2 ARG 52 -11.418 -14.855 -3.547 415 2HB ARG 52 HB1 ARG 52 -9.784 -15.212 -4.108 416 1HG ARG 52 HG2 ARG 52 -10.532 -17.105 -5.369 417 2HG ARG 52 HG1 ARG 52 -12.125 -17.061 -4.611 418 1HD ARG 52 HD2 ARG 52 -12.733 -15.069 -5.754 419 2HD ARG 52 HD1 ARG 52 -11.067 -14.740 -6.229 420 HE ARG 52 HE ARG 52 -11.353 -16.205 -8.054 421 1HH1 ARG 52 HH21 ARG 52 -13.834 -16.694 -5.672 422 2HH1 ARG 52 HH22 ARG 52 -14.735 -17.793 -6.663 423 1HH2 ARG 52 HH11 ARG 52 -12.531 -17.631 -9.331 424 2HH2 ARG 52 HH12 ARG 52 -14.000 -18.319 -8.724 425 HA PRO 53 HA PRO 53 -11.630 -14.331 -1.633 426 1HB PRO 53 HB2 PRO 53 -13.180 -13.686 0.608 427 2HB PRO 53 HB1 PRO 53 -13.623 -13.393 -1.079 428 1HG PRO 53 HG2 PRO 53 -14.810 -15.230 0.767 429 2HG PRO 53 HG1 PRO 53 -15.263 -14.917 -0.914 430 1HD PRO 53 HD2 PRO 53 -13.750 -17.160 0.200 431 2HD PRO 53 HD1 PRO 53 -14.506 -17.000 -1.394 432 H LEU 54 HN LEU 54 -10.244 -13.264 -0.091 433 HA LEU 54 HA LEU 54 -8.812 -15.083 1.669 434 1HB LEU 54 HB2 LEU 54 -8.557 -12.083 1.306 435 2HB LEU 54 HB1 LEU 54 -7.410 -13.109 2.167 436 HG LEU 54 HG LEU 54 -8.167 -13.487 -0.743 437 1HD1 LEU 54 HD12 LEU 54 -6.837 -11.342 0.021 438 2HD1 LEU 54 HD11 LEU 54 -5.501 -12.479 0.196 439 3HD1 LEU 54 HD13 LEU 54 -6.280 -12.271 -1.371 440 1HD2 LEU 54 HD23 LEU 54 -6.103 -14.723 1.096 441 2HD2 LEU 54 HD22 LEU 54 -7.387 -15.545 0.210 442 3HD2 LEU 54 HD21 LEU 54 -6.016 -14.858 -0.660 443 HA PRO 55 HA PRO 55 -11.591 -14.015 5.114 444 1HB PRO 55 HB2 PRO 55 -10.625 -16.103 6.716 445 2HB PRO 55 HB1 PRO 55 -12.033 -16.176 5.647 446 1HG PRO 55 HG2 PRO 55 -9.530 -17.531 5.365 447 2HG PRO 55 HG1 PRO 55 -10.946 -17.611 4.307 448 1HD PRO 55 HD2 PRO 55 -8.443 -16.152 3.923 449 2HD PRO 55 HD1 PRO 55 -9.719 -16.513 2.750 450 H GLU 56 HN GLU 56 -11.024 -13.989 7.661 451 HA GLU 56 HA GLU 56 -9.778 -12.942 9.347 452 1HB GLU 56 HB2 GLU 56 -7.378 -13.705 7.655 453 2HB GLU 56 HB1 GLU 56 -7.384 -13.338 9.381 454 1HG GLU 56 HG2 GLU 56 -9.156 -15.285 9.490 455 2HG GLU 56 HG1 GLU 56 -8.422 -15.769 7.960 456 H ARG 57 HN ARG 57 -10.715 -11.407 7.016 457 HA ARG 57 HA ARG 57 -9.427 -8.914 7.560 458 1HB ARG 57 HB2 ARG 57 -8.337 -8.565 5.337 459 2HB ARG 57 HB1 ARG 57 -7.551 -9.820 6.293 460 1HG ARG 57 HG2 ARG 57 -9.161 -11.447 5.038 461 2HG ARG 57 HG1 ARG 57 -9.333 -10.124 3.885 462 1HD ARG 57 HD2 ARG 57 -7.521 -11.267 2.976 463 2HD ARG 57 HD1 ARG 57 -6.698 -10.085 3.994 464 HE ARG 57 HE ARG 57 -7.191 -12.420 5.554 465 1HH1 ARG 57 HH11 ARG 57 -5.299 -11.334 2.850 466 2HH1 ARG 57 HH12 ARG 57 -4.017 -12.461 3.144 467 1HH2 ARG 57 HH21 ARG 57 -5.520 -13.876 5.925 468 2HH2 ARG 57 HH22 ARG 57 -4.142 -13.892 4.876 469 H THR 58 HN THR 58 -9.949 -7.435 5.352 470 HA THR 58 HA THR 58 -12.824 -8.027 4.761 471 HB THR 58 HB THR 58 -11.568 -5.274 4.821 472 HG1 THR 58 HG1 THR 58 -13.178 -5.760 6.890 473 1HG2 THR 58 HG21 THR 58 -14.400 -6.341 4.857 474 2HG2 THR 58 HG23 THR 58 -13.994 -4.655 5.182 475 3HG2 THR 58 HG22 THR 58 -13.641 -5.360 3.603 476 H ASN 59 HN ASN 59 -12.976 -8.677 2.672 477 HA ASN 59 HA ASN 59 -10.984 -7.854 0.678 478 1HB ASN 59 HB2 ASN 59 -13.407 -9.656 0.624 479 2HB ASN 59 HB1 ASN 59 -12.542 -9.227 -0.853 480 1HD2 ASN 59 HD22 ASN 59 -10.244 -11.188 1.938 481 2HD2 ASN 59 HD21 ASN 59 -11.238 -9.905 2.435 482 H VAL 60 HN VAL 60 -11.225 -5.730 0.068 483 HA VAL 60 HA VAL 60 -13.969 -4.770 -0.610 484 HB VAL 60 HB VAL 60 -11.431 -3.150 -0.246 485 1HG1 VAL 60 HG12 VAL 60 -14.342 -2.497 -0.680 486 2HG1 VAL 60 HG11 VAL 60 -13.272 -1.352 0.128 487 3HG1 VAL 60 HG13 VAL 60 -12.932 -1.861 -1.527 488 1HG2 VAL 60 HG23 VAL 60 -13.654 -3.894 1.667 489 2HG2 VAL 60 HG22 VAL 60 -11.917 -4.110 1.886 490 3HG2 VAL 60 HG21 VAL 60 -12.616 -2.492 1.929 491 H VAL 61 HN VAL 61 -14.137 -5.668 -2.705 492 HA VAL 61 HA VAL 61 -12.019 -5.268 -4.682 493 HB VAL 61 HB VAL 61 -14.889 -6.147 -5.117 494 1HG1 VAL 61 HG11 VAL 61 -13.537 -5.408 -7.118 495 2HG1 VAL 61 HG13 VAL 61 -12.392 -6.698 -6.745 496 3HG1 VAL 61 HG12 VAL 61 -14.056 -7.092 -7.179 497 1HG2 VAL 61 HG22 VAL 61 -12.387 -7.756 -4.513 498 2HG2 VAL 61 HG21 VAL 61 -13.810 -7.612 -3.482 499 3HG2 VAL 61 HG23 VAL 61 -13.925 -8.452 -5.028 500 H LEU 62 HN LEU 62 -11.915 -3.648 -6.204 501 HA LEU 62 HA LEU 62 -14.028 -1.538 -6.053 502 1HB LEU 62 HB2 LEU 62 -11.637 -0.930 -5.455 503 2HB LEU 62 HB1 LEU 62 -11.215 -1.247 -7.138 504 HG LEU 62 HG LEU 62 -13.130 0.384 -7.728 505 1HD1 LEU 62 HD13 LEU 62 -12.734 0.913 -4.776 506 2HD1 LEU 62 HD12 LEU 62 -13.411 2.121 -5.869 507 3HD1 LEU 62 HD11 LEU 62 -14.244 0.585 -5.626 508 1HD2 LEU 62 HD21 LEU 62 -10.688 0.872 -7.946 509 2HD2 LEU 62 HD23 LEU 62 -11.628 2.303 -7.524 510 3HD2 LEU 62 HD22 LEU 62 -10.688 1.469 -6.287 511 H THR 63 HN THR 63 -15.453 -1.831 -7.703 512 HA THR 63 HA THR 63 -14.342 -2.164 -10.449 513 HB THR 63 HB THR 63 -15.078 -4.388 -9.791 514 HG1 THR 63 HG1 THR 63 -15.728 -3.379 -11.884 515 1HG2 THR 63 HG21 THR 63 -16.577 -3.588 -7.947 516 2HG2 THR 63 HG23 THR 63 -17.761 -3.126 -9.169 517 3HG2 THR 63 HG22 THR 63 -17.317 -4.821 -8.968 518 H HIS 64 HN HIS 64 -15.687 -1.242 -12.097 519 HA HIS 64 HA HIS 64 -17.523 0.847 -11.060 520 1HB HIS 64 HB2 HIS 64 -17.376 1.740 -13.402 521 2HB HIS 64 HB1 HIS 64 -15.811 1.631 -12.597 522 HD1 HIS 64 HD1 HIS 64 -17.629 0.487 -15.567 523 HD2 HIS 64 HD2 HIS 64 -14.286 -0.772 -13.419 524 HE1 HIS 64 HE1 HIS 64 -16.377 -1.123 -17.068 525 H GLN 65 HN GLN 65 -17.480 -2.000 -13.142 526 HA GLN 65 HA GLN 65 -20.220 -1.636 -14.074 527 1HB GLN 65 HB2 GLN 65 -18.178 -3.842 -14.250 528 2HB GLN 65 HB1 GLN 65 -19.855 -4.151 -14.701 529 1HG GLN 65 HG2 GLN 65 -18.437 -1.739 -15.800 530 2HG GLN 65 HG1 GLN 65 -18.172 -3.321 -16.533 531 1HE2 GLN 65 HE22 GLN 65 -21.105 -2.930 -18.432 532 2HE2 GLN 65 HE21 GLN 65 -19.469 -3.380 -18.383 533 H GLU 66 HN GLU 66 -22.041 -2.233 -13.001 534 HA GLU 66 HA GLU 66 -21.790 -3.515 -10.365 535 1HB GLU 66 HB2 GLU 66 -24.268 -3.130 -10.269 536 2HB GLU 66 HB1 GLU 66 -23.345 -1.657 -10.573 537 1HG GLU 66 HG2 GLU 66 -23.769 -1.916 -13.007 538 2HG GLU 66 HG1 GLU 66 -24.744 -3.347 -12.668 539 H ASP 67 HN ASP 67 -21.182 -5.078 -12.809 540 HA ASP 67 HA ASP 67 -23.415 -7.042 -12.861 541 1HB ASP 67 HB2 ASP 67 -20.978 -6.604 -14.593 542 2HB ASP 67 HB1 ASP 67 -21.931 -8.085 -14.693 543 H TYR 68 HN TYR 68 -19.994 -6.733 -12.007 544 HA TYR 68 HA TYR 68 -19.615 -9.528 -11.365 545 1HB TYR 68 HB2 TYR 68 -17.808 -7.751 -11.837 546 2HB TYR 68 HB1 TYR 68 -18.053 -7.236 -10.168 547 HD1 TYR 68 HD2 TYR 68 -17.383 -10.298 -12.220 548 HD2 TYR 68 HD1 TYR 68 -16.921 -8.330 -8.429 549 HE1 TYR 68 HE2 TYR 68 -15.935 -12.152 -11.434 550 HE2 TYR 68 HE1 TYR 68 -15.473 -10.183 -7.644 551 HH TYR 68 HH TYR 68 -14.193 -11.963 -8.401 552 H GLN 69 HN GLN 69 -19.671 -10.523 -9.310 553 HA GLN 69 HA GLN 69 -20.654 -8.915 -7.016 554 1HB GLN 69 HB2 GLN 69 -22.077 -11.272 -8.261 555 2HB GLN 69 HB1 GLN 69 -22.339 -10.814 -6.578 556 1HG GLN 69 HG2 GLN 69 -23.018 -8.560 -7.274 557 2HG GLN 69 HG1 GLN 69 -22.714 -8.976 -8.961 558 1HE2 GLN 69 HE22 GLN 69 -25.927 -10.334 -9.358 559 2HE2 GLN 69 HE21 GLN 69 -24.566 -9.606 -10.065 560 H ALA 70 HN ALA 70 -18.900 -9.310 -5.709 561 HA ALA 70 HA ALA 70 -17.731 -12.013 -5.555 562 1HB ALA 70 HB1 ALA 70 -16.279 -9.994 -5.500 563 2HB ALA 70 HB3 ALA 70 -17.054 -9.499 -3.996 564 3HB ALA 70 HB2 ALA 70 -16.096 -10.979 -4.049 565 H GLN 71 HN GLN 71 -18.634 -13.495 -4.226 566 HA GLN 71 HA GLN 71 -20.540 -12.759 -2.158 567 1HB GLN 71 HB2 GLN 71 -19.230 -15.386 -2.907 568 2HB GLN 71 HB1 GLN 71 -20.433 -15.234 -1.625 569 1HG GLN 71 HG2 GLN 71 -22.053 -14.318 -3.238 570 2HG GLN 71 HG1 GLN 71 -20.853 -14.449 -4.525 571 1HE2 GLN 71 HE22 GLN 71 -21.418 -17.892 -5.045 572 2HE2 GLN 71 HE21 GLN 71 -20.582 -16.494 -5.524 573 H GLY 72 HN GLY 72 -20.075 -12.266 -0.072 574 1HA GLY 72 HA2 GLY 72 -18.937 -12.255 1.995 575 2HA GLY 72 HA1 GLY 72 -17.835 -13.472 1.348 576 H ALA 73 HN ALA 73 -18.536 -10.304 -0.077 577 HA ALA 73 HA ALA 73 -15.976 -9.190 0.840 578 1HB ALA 73 HB1 ALA 73 -16.464 -10.038 -2.016 579 2HB ALA 73 HB3 ALA 73 -15.334 -8.739 -1.626 580 3HB ALA 73 HB2 ALA 73 -15.060 -10.365 -1.000 581 H VAL 74 HN VAL 74 -15.959 -6.929 0.669 582 HA VAL 74 HA VAL 74 -18.556 -5.672 0.193 583 HB VAL 74 HB VAL 74 -15.885 -4.363 0.785 584 1HG1 VAL 74 HG11 VAL 74 -18.765 -3.453 1.062 585 2HG1 VAL 74 HG13 VAL 74 -17.384 -2.576 1.721 586 3HG1 VAL 74 HG12 VAL 74 -17.546 -2.786 -0.023 587 1HG2 VAL 74 HG21 VAL 74 -18.020 -5.521 2.594 588 2HG2 VAL 74 HG23 VAL 74 -16.299 -5.909 2.568 589 3HG2 VAL 74 HG22 VAL 74 -16.840 -4.337 3.158 590 H VAL 75 HN VAL 75 -19.104 -5.530 -1.952 591 HA VAL 75 HA VAL 75 -17.076 -4.877 -3.983 592 HB VAL 75 HB VAL 75 -20.079 -5.163 -4.298 593 1HG1 VAL 75 HG11 VAL 75 -18.812 -4.002 -6.131 594 2HG1 VAL 75 HG13 VAL 75 -17.832 -5.457 -6.313 595 3HG1 VAL 75 HG12 VAL 75 -19.564 -5.513 -6.644 596 1HG2 VAL 75 HG23 VAL 75 -17.831 -7.189 -4.423 597 2HG2 VAL 75 HG22 VAL 75 -19.266 -7.237 -3.399 598 3HG2 VAL 75 HG21 VAL 75 -19.416 -7.476 -5.140 599 H VAL 76 HN VAL 76 -16.446 -2.738 -3.549 600 HA VAL 76 HA VAL 76 -18.511 -0.645 -3.287 601 HB VAL 76 HB VAL 76 -16.526 0.874 -3.068 602 1HG1 VAL 76 HG13 VAL 76 -17.554 -0.238 -1.098 603 2HG1 VAL 76 HG12 VAL 76 -16.445 -1.593 -1.305 604 3HG1 VAL 76 HG11 VAL 76 -15.820 0.001 -0.888 605 1HG2 VAL 76 HG23 VAL 76 -15.143 -0.886 -4.497 606 2HG2 VAL 76 HG22 VAL 76 -14.343 0.104 -3.277 607 3HG2 VAL 76 HG21 VAL 76 -14.787 -1.562 -2.908 608 H HIS 77 HN HIS 77 -18.088 1.399 -4.691 609 HA HIS 77 HA HIS 77 -17.149 0.720 -7.425 610 1HB HIS 77 HB2 HIS 77 -19.919 1.763 -6.760 611 2HB HIS 77 HB1 HIS 77 -19.241 1.714 -8.388 612 HD1 HIS 77 HD1 HIS 77 -19.296 -0.501 -9.611 613 HD2 HIS 77 HD2 HIS 77 -20.283 -0.894 -5.581 614 HE1 HIS 77 HE1 HIS 77 -20.097 -2.883 -9.299 615 H ASP 78 HN ASP 78 -16.212 2.477 -5.220 616 HA ASP 78 HA ASP 78 -15.605 4.817 -6.792 617 1HB ASP 78 HB2 ASP 78 -18.025 5.211 -5.994 618 2HB ASP 78 HB1 ASP 78 -17.333 5.386 -4.380 619 H VAL 79 HN VAL 79 -13.850 5.912 -5.888 620 HA VAL 79 HA VAL 79 -12.362 4.573 -3.825 621 HB VAL 79 HB VAL 79 -11.986 7.405 -4.844 622 1HG1 VAL 79 HG13 VAL 79 -10.739 6.658 -2.763 623 2HG1 VAL 79 HG12 VAL 79 -9.955 5.434 -3.763 624 3HG1 VAL 79 HG11 VAL 79 -9.709 7.146 -4.109 625 1HG2 VAL 79 HG23 VAL 79 -10.912 4.768 -5.900 626 2HG2 VAL 79 HG22 VAL 79 -12.075 5.812 -6.715 627 3HG2 VAL 79 HG21 VAL 79 -10.419 6.363 -6.468 628 H ALA 80 HN ALA 80 -14.542 7.345 -3.832 629 HA ALA 80 HA ALA 80 -13.926 8.273 -1.178 630 1HB ALA 80 HB2 ALA 80 -15.219 9.520 -3.004 631 2HB ALA 80 HB1 ALA 80 -16.608 8.530 -2.553 632 3HB ALA 80 HB3 ALA 80 -15.884 9.625 -1.373 633 H ALA 81 HN ALA 81 -16.097 5.807 -2.453 634 HA ALA 81 HA ALA 81 -17.593 5.383 -0.028 635 1HB ALA 81 HB2 ALA 81 -18.304 4.578 -2.290 636 2HB ALA 81 HB1 ALA 81 -17.001 3.391 -2.237 637 3HB ALA 81 HB3 ALA 81 -18.321 3.305 -1.070 638 H VAL 82 HN VAL 82 -14.569 4.057 -1.297 639 HA VAL 82 HA VAL 82 -14.258 1.994 0.684 640 HB VAL 82 HB VAL 82 -12.077 3.478 -0.811 641 1HG1 VAL 82 HG13 VAL 82 -12.240 0.793 0.577 642 2HG1 VAL 82 HG12 VAL 82 -10.957 1.204 -0.561 643 3HG1 VAL 82 HG11 VAL 82 -11.141 2.125 0.933 644 1HG2 VAL 82 HG21 VAL 82 -13.917 2.534 -2.270 645 2HG2 VAL 82 HG23 VAL 82 -12.326 1.828 -2.560 646 3HG2 VAL 82 HG22 VAL 82 -13.527 0.941 -1.620 647 H PHE 83 HN PHE 83 -13.210 5.385 0.521 648 HA PHE 83 HA PHE 83 -11.712 5.321 2.991 649 1HB PHE 83 HB2 PHE 83 -12.878 7.531 1.297 650 2HB PHE 83 HB1 PHE 83 -12.096 7.877 2.840 651 HD1 PHE 83 HD1 PHE 83 -9.802 6.363 3.119 652 HD2 PHE 83 HD2 PHE 83 -11.504 7.789 -0.558 653 HE1 PHE 83 HE1 PHE 83 -7.580 6.205 2.029 654 HE2 PHE 83 HE2 PHE 83 -9.282 7.631 -1.648 655 HZ PHE 83 HZ PHE 83 -7.320 6.838 -0.354 656 H ALA 84 HN ALA 84 -15.088 5.823 2.179 657 HA ALA 84 HA ALA 84 -15.913 6.983 4.676 658 1HB ALA 84 HB3 ALA 84 -17.387 5.415 2.549 659 2HB ALA 84 HB2 ALA 84 -18.194 6.058 3.979 660 3HB ALA 84 HB1 ALA 84 -17.425 7.156 2.832 661 H TYR 85 HN TYR 85 -15.471 3.658 3.575 662 HA TYR 85 HA TYR 85 -16.713 2.434 5.890 663 1HB TYR 85 HB2 TYR 85 -16.289 1.338 3.617 664 2HB TYR 85 HB1 TYR 85 -14.606 1.179 4.118 665 HD1 TYR 85 HD1 TYR 85 -14.054 -0.112 6.217 666 HD2 TYR 85 HD2 TYR 85 -17.975 -0.122 4.460 667 HE1 TYR 85 HE1 TYR 85 -14.630 -2.146 7.514 668 HE2 TYR 85 HE2 TYR 85 -18.551 -2.155 5.757 669 HH TYR 85 HH TYR 85 -17.747 -3.230 7.941 670 H ALA 86 HN ALA 86 -13.442 3.472 5.064 671 HA ALA 86 HA ALA 86 -12.142 2.207 7.311 672 1HB ALA 86 HB3 ALA 86 -11.406 4.421 5.406 673 2HB ALA 86 HB2 ALA 86 -10.388 4.077 6.806 674 3HB ALA 86 HB1 ALA 86 -10.668 2.830 5.591 675 H LYS 87 HN LYS 87 -13.823 5.255 6.841 676 HA LYS 87 HA LYS 87 -12.890 6.581 9.210 677 1HB LYS 87 HB2 LYS 87 -15.365 6.871 7.503 678 2HB LYS 87 HB1 LYS 87 -15.118 7.855 8.945 679 1HG LYS 87 HG2 LYS 87 -13.173 8.874 8.061 680 2HG LYS 87 HG1 LYS 87 -12.998 7.643 6.809 681 1HD LYS 87 HD2 LYS 87 -13.897 9.519 5.671 682 2HD LYS 87 HD1 LYS 87 -15.281 8.458 5.937 683 1HE LYS 87 HE2 LYS 87 -16.009 10.637 6.585 684 2HE LYS 87 HE1 LYS 87 -15.699 9.771 8.089 685 1HZ LYS 87 HZ1 LYS 87 -13.294 10.824 7.556 686 2HZ LYS 87 HZ3 LYS 87 -14.313 12.032 6.941 687 3HZ LYS 87 HZ2 LYS 87 -14.452 11.550 8.564 688 H GLN 88 HN GLN 88 -15.646 4.428 8.578 689 HA GLN 88 HA GLN 88 -16.825 4.650 11.186 690 1HB GLN 88 HB2 GLN 88 -16.970 2.588 8.988 691 2HB GLN 88 HB1 GLN 88 -17.779 2.324 10.534 692 1HG GLN 88 HG2 GLN 88 -18.904 4.562 10.239 693 2HG GLN 88 HG1 GLN 88 -18.225 4.624 8.613 694 1HE2 GLN 88 HE22 GLN 88 -21.624 2.630 9.136 695 2HE2 GLN 88 HE21 GLN 88 -21.017 3.792 10.214 696 H HIS 89 HN HIS 89 -14.182 2.735 9.899 697 HA HIS 89 HA HIS 89 -13.846 1.490 12.601 698 1HB HIS 89 HB2 HIS 89 -13.306 0.425 9.831 699 2HB HIS 89 HB1 HIS 89 -12.474 -0.242 11.236 700 HD1 HIS 89 HD1 HIS 89 -13.664 -2.190 12.215 701 HD2 HIS 89 HD2 HIS 89 -16.332 0.500 10.476 702 HE1 HIS 89 HE1 HIS 89 -15.977 -3.176 12.521 703 HA PRO 90 HA PRO 90 -10.156 4.191 12.039 704 1HB PRO 90 HB2 PRO 90 -10.163 4.939 14.739 705 2HB PRO 90 HB1 PRO 90 -10.849 5.870 13.401 706 1HG PRO 90 HG2 PRO 90 -12.234 4.561 15.536 707 2HG PRO 90 HG1 PRO 90 -12.914 5.511 14.208 708 1HD PRO 90 HD2 PRO 90 -12.830 2.607 14.537 709 2HD PRO 90 HD1 PRO 90 -13.782 3.578 13.403 710 H ASP 91 HN ASP 91 -10.970 1.645 14.279 711 HA ASP 91 HA ASP 91 -8.353 1.344 15.470 712 1HB ASP 91 HB2 ASP 91 -10.810 -0.383 15.267 713 2HB ASP 91 HB1 ASP 91 -9.305 -1.060 15.891 714 H GLN 92 HN GLN 92 -9.803 0.318 12.472 715 HA GLN 92 HA GLN 92 -7.592 -1.582 11.926 716 1HB GLN 92 HB2 GLN 92 -10.197 -1.778 11.300 717 2HB GLN 92 HB1 GLN 92 -9.637 -0.933 9.856 718 1HG GLN 92 HG2 GLN 92 -9.270 -3.126 9.206 719 2HG GLN 92 HG1 GLN 92 -7.712 -2.759 9.946 720 1HE2 GLN 92 HE22 GLN 92 -9.619 -5.861 11.397 721 2HE2 GLN 92 HE21 GLN 92 -9.699 -5.272 9.806 722 H GLU 93 HN GLU 93 -6.885 -1.353 9.429 723 HA GLU 93 HA GLU 93 -6.378 1.523 8.829 724 1HB GLU 93 HB2 GLU 93 -4.287 -0.677 8.876 725 2HB GLU 93 HB1 GLU 93 -4.015 0.966 8.295 726 1HG GLU 93 HG2 GLU 93 -4.867 1.721 10.618 727 2HG GLU 93 HG1 GLU 93 -4.602 0.046 11.109 728 H LEU 94 HN LEU 94 -5.872 1.904 6.565 729 HA LEU 94 HA LEU 94 -7.071 -0.163 4.799 730 1HB LEU 94 HB2 LEU 94 -7.767 2.341 4.831 731 2HB LEU 94 HB1 LEU 94 -6.265 2.615 3.946 732 HG LEU 94 HG LEU 94 -7.094 0.703 2.391 733 1HD1 LEU 94 HD12 LEU 94 -9.615 1.488 3.871 734 2HD1 LEU 94 HD11 LEU 94 -9.637 0.702 2.291 735 3HD1 LEU 94 HD13 LEU 94 -8.937 -0.129 3.680 736 1HD2 LEU 94 HD21 LEU 94 -8.170 3.512 2.548 737 2HD2 LEU 94 HD23 LEU 94 -6.977 2.846 1.433 738 3HD2 LEU 94 HD22 LEU 94 -8.683 2.437 1.247 739 H VAL 95 HN VAL 95 -5.949 -0.946 2.962 740 HA VAL 95 HA VAL 95 -3.128 -0.109 2.591 741 HB VAL 95 HB VAL 95 -3.915 -3.009 3.008 742 1HG1 VAL 95 HG12 VAL 95 -1.264 -1.595 2.599 743 2HG1 VAL 95 HG11 VAL 95 -1.413 -3.280 3.100 744 3HG1 VAL 95 HG13 VAL 95 -2.016 -2.772 1.522 745 1HG2 VAL 95 HG21 VAL 95 -2.673 -0.953 4.843 746 2HG2 VAL 95 HG23 VAL 95 -4.048 -2.010 5.160 747 3HG2 VAL 95 HG22 VAL 95 -2.418 -2.682 5.085 748 H ILE 96 HN ILE 96 -2.493 -0.278 0.454 749 HA ILE 96 HA ILE 96 -4.545 -1.318 -1.446 750 HB ILE 96 HB ILE 96 -2.202 0.516 -2.021 751 1HG1 ILE 96 HG12 ILE 96 -3.773 1.577 -0.435 752 2HG1 ILE 96 HG11 ILE 96 -3.865 2.345 -2.017 753 1HG2 ILE 96 HG22 ILE 96 -3.202 -0.822 -3.916 754 2HG2 ILE 96 HG21 ILE 96 -4.728 0.010 -3.616 755 3HG2 ILE 96 HG23 ILE 96 -3.308 0.927 -4.122 756 1HD1 ILE 96 HD12 ILE 96 -5.851 0.924 -2.550 757 2HD1 ILE 96 HD11 ILE 96 -5.787 0.274 -0.911 758 3HD1 ILE 96 HD13 ILE 96 -6.125 1.986 -1.169 759 H ALA 97 HN ALA 97 -4.094 -3.257 -2.348 760 HA ALA 97 HA ALA 97 -1.267 -4.197 -2.376 761 1HB ALA 97 HB1 ALA 97 -3.901 -5.671 -2.652 762 2HB ALA 97 HB3 ALA 97 -2.326 -6.440 -2.844 763 3HB ALA 97 HB2 ALA 97 -2.781 -5.740 -1.291 764 H GLY 98 HN GLY 98 -3.982 -3.406 -4.448 765 1HA GLY 98 HA2 GLY 98 -2.673 -2.748 -6.749 766 2HA GLY 98 HA1 GLY 98 -2.713 -4.509 -6.856 767 H GLY 99 HN GLY 99 -5.800 -3.573 -8.589 768 1HA GLY 99 HA2 GLY 99 -2.982 -4.345 -8.866 769 2HA GLY 99 HA1 GLY 99 -4.130 -4.107 -10.184 770 H ALA 100 HN ALA 100 -2.666 -2.780 -11.369 771 HA ALA 100 HA ALA 100 -1.387 -0.454 -10.242 772 1HB ALA 100 HB3 ALA 100 -2.016 -1.267 -13.090 773 2HB ALA 100 HB2 ALA 100 -1.121 0.199 -12.685 774 3HB ALA 100 HB1 ALA 100 -0.465 -1.382 -12.257 775 H GLN 101 HN GLN 101 -4.509 -1.038 -11.761 776 HA GLN 101 HA GLN 101 -5.208 1.737 -12.143 777 1HB GLN 101 HB2 GLN 101 -7.008 -0.681 -11.786 778 2HB GLN 101 HB1 GLN 101 -7.506 0.888 -12.419 779 1HG GLN 101 HG2 GLN 101 -6.254 0.630 -14.393 780 2HG GLN 101 HG1 GLN 101 -5.226 -0.617 -13.687 781 1HE2 GLN 101 HE22 GLN 101 -8.434 -1.779 -15.730 782 2HE2 GLN 101 HE21 GLN 101 -7.727 -0.241 -15.852 783 H ILE 102 HN ILE 102 -5.352 -0.469 -9.428 784 HA ILE 102 HA ILE 102 -7.140 1.218 -7.846 785 HB ILE 102 HB ILE 102 -5.321 -1.023 -6.920 786 1HG1 ILE 102 HG12 ILE 102 -6.822 -1.789 -8.728 787 2HG1 ILE 102 HG11 ILE 102 -7.303 -2.480 -7.180 788 1HG2 ILE 102 HG22 ILE 102 -7.803 0.249 -5.732 789 2HG2 ILE 102 HG21 ILE 102 -7.016 -1.194 -5.093 790 3HG2 ILE 102 HG23 ILE 102 -6.162 0.349 -5.092 791 1HD1 ILE 102 HD11 ILE 102 -8.999 -0.640 -6.952 792 2HD1 ILE 102 HD13 ILE 102 -8.582 -0.113 -8.583 793 3HD1 ILE 102 HD12 ILE 102 -9.300 -1.704 -8.326 794 H PHE 103 HN PHE 103 -3.649 0.701 -8.123 795 HA PHE 103 HA PHE 103 -2.863 2.222 -5.830 796 1HB PHE 103 HB2 PHE 103 -1.481 1.539 -8.429 797 2HB PHE 103 HB1 PHE 103 -0.696 2.524 -7.195 798 HD1 PHE 103 HD1 PHE 103 -1.377 1.406 -4.672 799 HD2 PHE 103 HD2 PHE 103 -0.689 -0.649 -8.381 800 HE1 PHE 103 HE1 PHE 103 -0.766 -0.646 -3.422 801 HE2 PHE 103 HE2 PHE 103 -0.079 -2.701 -7.130 802 HZ PHE 103 HZ PHE 103 -0.117 -2.700 -4.651 803 H THR 104 HN THR 104 -3.057 3.183 -9.277 804 HA THR 104 HA THR 104 -2.474 5.946 -8.827 805 HB THR 104 HB THR 104 -3.953 6.069 -11.069 806 HG1 THR 104 HG1 THR 104 -4.509 3.775 -10.601 807 1HG2 THR 104 HG21 THR 104 -1.370 6.226 -10.575 808 2HG2 THR 104 HG23 THR 104 -1.346 4.603 -11.262 809 3HG2 THR 104 HG22 THR 104 -1.938 5.957 -12.223 810 H ALA 105 HN ALA 105 -5.417 4.072 -8.534 811 HA ALA 105 HA ALA 105 -7.276 6.266 -8.563 812 1HB ALA 105 HB2 ALA 105 -7.362 3.455 -7.478 813 2HB ALA 105 HB1 ALA 105 -8.694 4.576 -7.192 814 3HB ALA 105 HB3 ALA 105 -8.250 4.137 -8.841 815 H PHE 106 HN PHE 106 -5.338 4.752 -6.021 816 HA PHE 106 HA PHE 106 -6.485 6.648 -4.028 817 1HB PHE 106 HB2 PHE 106 -4.838 4.125 -3.773 818 2HB PHE 106 HB1 PHE 106 -5.108 5.213 -2.410 819 HD1 PHE 106 HD2 PHE 106 -7.094 3.602 -5.166 820 HD2 PHE 106 HD1 PHE 106 -6.918 4.748 -1.030 821 HE1 PHE 106 HE2 PHE 106 -9.322 2.581 -4.788 822 HE2 PHE 106 HE1 PHE 106 -9.147 3.727 -0.652 823 HZ PHE 106 HZ PHE 106 -10.349 2.644 -2.532 824 H LYS 107 HN LYS 107 -4.160 6.851 -6.246 825 HA LYS 107 HA LYS 107 -1.795 7.549 -4.772 826 1HB LYS 107 HB2 LYS 107 -1.931 7.053 -7.256 827 2HB LYS 107 HB1 LYS 107 -2.630 8.660 -7.464 828 1HG LYS 107 HG2 LYS 107 -0.314 8.987 -7.831 829 2HG LYS 107 HG1 LYS 107 -0.567 9.517 -6.167 830 1HD LYS 107 HD2 LYS 107 0.043 7.140 -5.459 831 2HD LYS 107 HD1 LYS 107 0.593 6.892 -7.118 832 1HE LYS 107 HE2 LYS 107 2.460 7.582 -5.648 833 2HE LYS 107 HE1 LYS 107 2.149 8.784 -6.901 834 1HZ LYS 107 HZ2 LYS 107 0.507 9.433 -4.774 835 2HZ LYS 107 HZ1 LYS 107 2.021 9.074 -4.091 836 3HZ LYS 107 HZ3 LYS 107 1.894 10.264 -5.293 837 H ASP 108 HN ASP 108 -4.696 9.326 -5.656 838 HA ASP 108 HA ASP 108 -3.604 11.937 -4.948 839 1HB ASP 108 HB2 ASP 108 -5.579 11.415 -6.543 840 2HB ASP 108 HB1 ASP 108 -6.540 11.261 -5.072 841 H ASP 109 HN ASP 109 -3.873 9.478 -2.990 842 HA ASP 109 HA ASP 109 -4.417 11.128 -0.637 843 1HB ASP 109 HB2 ASP 109 -6.346 9.036 -1.594 844 2HB ASP 109 HB1 ASP 109 -6.123 9.270 0.140 845 H VAL 110 HN VAL 110 -2.152 9.659 -1.636 846 HA VAL 110 HA VAL 110 -1.990 7.279 0.129 847 HB VAL 110 HB VAL 110 -1.187 7.058 -2.196 848 1HG1 VAL 110 HG13 VAL 110 0.775 9.223 -1.383 849 2HG1 VAL 110 HG12 VAL 110 0.874 8.286 -2.874 850 3HG1 VAL 110 HG11 VAL 110 -0.494 9.364 -2.599 851 1HG2 VAL 110 HG21 VAL 110 -0.060 5.922 -0.141 852 2HG2 VAL 110 HG23 VAL 110 0.796 5.893 -1.683 853 3HG2 VAL 110 HG22 VAL 110 1.262 7.051 -0.437 854 H ASP 111 HN ASP 111 -0.265 7.090 1.692 855 HA ASP 111 HA ASP 111 1.005 9.679 2.474 856 1HB ASP 111 HB2 ASP 111 -0.250 7.646 4.344 857 2HB ASP 111 HB1 ASP 111 0.604 9.107 4.842 858 H THR 112 HN THR 112 1.030 6.158 3.129 859 HA THR 112 HA THR 112 3.983 6.320 3.492 860 HB THR 112 HB THR 112 2.213 3.928 4.039 861 HG1 THR 112 HG1 THR 112 2.973 6.028 5.789 862 1HG2 THR 112 HG21 THR 112 4.944 4.812 5.010 863 2HG2 THR 112 HG23 THR 112 4.075 3.407 5.628 864 3HG2 THR 112 HG22 THR 112 4.594 3.452 3.942 865 H LEU 113 HN LEU 113 5.304 4.653 2.420 866 HA LEU 113 HA LEU 113 4.036 3.401 0.035 867 1HB LEU 113 HB2 LEU 113 6.431 5.252 0.045 868 2HB LEU 113 HB1 LEU 113 6.102 4.135 -1.280 869 HG LEU 113 HG LEU 113 3.962 6.011 -0.295 870 1HD1 LEU 113 HD11 LEU 113 6.298 6.598 -2.105 871 2HD1 LEU 113 HD13 LEU 113 4.759 7.431 -2.329 872 3HD1 LEU 113 HD12 LEU 113 5.632 7.586 -0.805 873 1HD2 LEU 113 HD21 LEU 113 4.553 4.447 -2.811 874 2HD2 LEU 113 HD23 LEU 113 3.123 4.365 -1.782 875 3HD2 LEU 113 HD22 LEU 113 3.393 5.775 -2.807 876 H LEU 114 HN LEU 114 4.399 1.277 0.498 877 HA LEU 114 HA LEU 114 7.074 0.489 1.564 878 1HB LEU 114 HB2 LEU 114 4.420 -0.979 1.492 879 2HB LEU 114 HB1 LEU 114 5.927 -1.693 2.068 880 HG LEU 114 HG LEU 114 4.932 0.920 3.192 881 1HD1 LEU 114 HD12 LEU 114 3.185 -0.965 3.338 882 2HD1 LEU 114 HD11 LEU 114 4.328 -1.781 4.407 883 3HD1 LEU 114 HD13 LEU 114 3.667 -0.209 4.858 884 1HD2 LEU 114 HD22 LEU 114 6.776 -1.299 4.113 885 2HD2 LEU 114 HD21 LEU 114 7.201 0.376 3.764 886 3HD2 LEU 114 HD23 LEU 114 6.224 -0.009 5.181 887 H VAL 115 HN VAL 115 8.376 0.227 -0.227 888 HA VAL 115 HA VAL 115 7.303 -1.406 -2.485 889 HB VAL 115 HB VAL 115 8.119 0.842 -3.100 890 1HG1 VAL 115 HG13 VAL 115 9.777 1.034 -1.240 891 2HG1 VAL 115 HG12 VAL 115 10.810 -0.118 -2.087 892 3HG1 VAL 115 HG11 VAL 115 10.458 1.450 -2.812 893 1HG2 VAL 115 HG23 VAL 115 8.445 -1.215 -4.592 894 2HG2 VAL 115 HG22 VAL 115 9.478 0.170 -4.945 895 3HG2 VAL 115 HG21 VAL 115 10.126 -1.210 -4.059 896 H THR 116 HN THR 116 8.297 -3.333 -3.003 897 HA THR 116 HA THR 116 10.537 -4.195 -1.221 898 HB THR 116 HB THR 116 8.661 -5.963 -2.814 899 HG1 THR 116 HG1 THR 116 7.412 -6.063 -1.052 900 1HG2 THR 116 HG21 THR 116 10.677 -6.428 -0.610 901 2HG2 THR 116 HG23 THR 116 9.454 -7.620 -1.047 902 3HG2 THR 116 HG22 THR 116 10.665 -7.126 -2.230 903 H ARG 117 HN ARG 117 12.349 -3.619 -2.408 904 HA ARG 117 HA ARG 117 12.477 -4.082 -5.300 905 1HB ARG 117 HB2 ARG 117 14.569 -3.192 -3.291 906 2HB ARG 117 HB1 ARG 117 14.835 -3.279 -5.033 907 1HG ARG 117 HG2 ARG 117 12.748 -1.776 -5.241 908 2HG ARG 117 HG1 ARG 117 12.954 -1.470 -3.516 909 1HD ARG 117 HD2 ARG 117 15.274 -0.710 -3.938 910 2HD ARG 117 HD1 ARG 117 15.038 -0.980 -5.665 911 HE ARG 117 HE ARG 117 12.962 0.739 -4.760 912 1HH1 ARG 117 HH11 ARG 117 16.409 0.703 -5.186 913 2HH1 ARG 117 HH12 ARG 117 16.513 2.410 -5.458 914 1HH2 ARG 117 HH21 ARG 117 13.108 2.953 -5.114 915 2HH2 ARG 117 HH22 ARG 117 14.652 3.677 -5.417 916 H LEU 118 HN LEU 118 13.792 -5.645 -6.325 917 HA LEU 118 HA LEU 118 14.864 -7.798 -4.546 918 1HB LEU 118 HB2 LEU 118 12.878 -7.935 -6.710 919 2HB LEU 118 HB1 LEU 118 14.199 -9.085 -6.911 920 HG LEU 118 HG LEU 118 13.816 -9.692 -4.438 921 1HD1 LEU 118 HD13 LEU 118 11.214 -8.257 -5.054 922 2HD1 LEU 118 HD12 LEU 118 11.518 -9.244 -3.625 923 3HD1 LEU 118 HD11 LEU 118 12.420 -7.749 -3.871 924 1HD2 LEU 118 HD21 LEU 118 11.765 -10.280 -6.592 925 2HD2 LEU 118 HD23 LEU 118 13.192 -11.235 -6.189 926 3HD2 LEU 118 HD22 LEU 118 11.840 -11.149 -5.060 927 H ALA 119 HN ALA 119 16.953 -8.356 -4.986 928 HA ALA 119 HA ALA 119 18.494 -6.850 -6.898 929 1HB ALA 119 HB1 ALA 119 19.355 -7.906 -4.749 930 2HB ALA 119 HB3 ALA 119 19.311 -9.456 -5.589 931 3HB ALA 119 HB2 ALA 119 20.365 -8.166 -6.170 932 H GLY 120 HN GLY 120 16.934 -10.003 -6.968 933 1HA GLY 120 HA2 GLY 120 18.251 -10.936 -9.374 934 2HA GLY 120 HA1 GLY 120 16.777 -11.613 -8.679 935 H SER 121 HN SER 121 17.823 -10.335 -11.441 936 HA SER 121 HA SER 121 15.723 -8.377 -11.985 937 1HB SER 121 HB2 SER 121 16.589 -8.576 -14.349 938 2HB SER 121 HB1 SER 121 17.815 -8.130 -13.165 939 HG SER 121 HG SER 121 18.831 -9.841 -13.818 940 H PHE 122 HN PHE 122 13.802 -8.743 -13.086 941 HA PHE 122 HA PHE 122 13.271 -11.422 -14.225 942 1HB PHE 122 HB2 PHE 122 11.587 -10.193 -12.020 943 2HB PHE 122 HB1 PHE 122 11.167 -11.645 -12.927 944 HD1 PHE 122 HD1 PHE 122 12.742 -13.643 -12.841 945 HD2 PHE 122 HD2 PHE 122 13.076 -10.292 -10.176 946 HE1 PHE 122 HE1 PHE 122 14.118 -15.011 -11.296 947 HE2 PHE 122 HE2 PHE 122 14.452 -11.660 -8.629 948 HZ PHE 122 HZ PHE 122 14.973 -14.018 -9.190 949 H GLU 123 HN GLU 123 12.110 -11.187 -16.076 950 HA GLU 123 HA GLU 123 10.903 -8.524 -16.633 951 1HB GLU 123 HB2 GLU 123 10.845 -9.352 -19.000 952 2HB GLU 123 HB1 GLU 123 12.472 -9.306 -18.319 953 1HG GLU 123 HG2 GLU 123 12.383 -11.699 -17.844 954 2HG GLU 123 HG1 GLU 123 10.713 -11.775 -18.406 955 H GLY 124 HN GLY 124 8.734 -8.378 -17.421 956 1HA GLY 124 HA2 GLY 124 7.067 -10.826 -17.333 957 2HA GLY 124 HA1 GLY 124 6.656 -9.538 -16.198 958 H ASP 125 HN ASP 125 5.016 -8.308 -16.945 959 HA ASP 125 HA ASP 125 5.087 -7.361 -19.754 960 1HB ASP 125 HB2 ASP 125 3.662 -9.486 -19.571 961 2HB ASP 125 HB1 ASP 125 2.550 -8.528 -18.592 962 H THR 126 HN THR 126 3.633 -7.205 -16.529 963 HA THR 126 HA THR 126 2.646 -4.457 -17.103 964 HB THR 126 HB THR 126 2.242 -5.951 -14.516 965 HG1 THR 126 HG1 THR 126 0.131 -6.334 -15.913 966 1HG2 THR 126 HG23 THR 126 1.629 -3.485 -14.904 967 2HG2 THR 126 HG22 THR 126 0.376 -4.091 -15.987 968 3HG2 THR 126 HG21 THR 126 0.355 -4.533 -14.280 969 H LYS 127 HN LYS 127 3.604 -2.680 -16.183 970 HA LYS 127 HA LYS 127 5.949 -3.188 -14.400 971 1HB LYS 127 HB2 LYS 127 5.353 -0.850 -16.241 972 2HB LYS 127 HB1 LYS 127 6.766 -0.972 -15.192 973 1HG LYS 127 HG2 LYS 127 7.513 -2.978 -16.359 974 2HG LYS 127 HG1 LYS 127 6.054 -2.978 -17.351 975 1HD LYS 127 HD2 LYS 127 7.639 -1.949 -18.749 976 2HD LYS 127 HD1 LYS 127 6.791 -0.578 -18.033 977 1HE LYS 127 HE2 LYS 127 8.550 -0.235 -16.422 978 2HE LYS 127 HE1 LYS 127 9.342 -1.741 -16.888 979 1HZ LYS 127 HZ1 LYS 127 8.896 0.034 -19.096 980 2HZ LYS 127 HZ3 LYS 127 9.891 0.713 -17.903 981 3HZ LYS 127 HZ2 LYS 127 10.315 -0.768 -18.619 982 H MET 128 HN MET 128 6.370 -0.978 -13.081 983 HA MET 128 HA MET 128 3.877 -0.547 -11.532 984 1HB MET 128 HB2 MET 128 6.372 -1.072 -10.659 985 2HB MET 128 HB1 MET 128 6.446 0.690 -10.680 986 1HG MET 128 HG2 MET 128 4.087 -0.704 -9.440 987 2HG MET 128 HG1 MET 128 5.580 -0.505 -8.524 988 1HE MET 128 HE3 MET 128 3.117 0.616 -7.309 989 2HE MET 128 HE2 MET 128 2.502 2.182 -7.836 990 3HE MET 128 HE1 MET 128 2.289 0.767 -8.865 991 H ILE 129 HN ILE 129 2.994 1.519 -11.217 992 HA ILE 129 HA ILE 129 3.366 3.434 -13.333 993 HB ILE 129 HB ILE 129 1.872 4.880 -11.931 994 1HG1 ILE 129 HG12 ILE 129 1.855 2.539 -10.010 995 2HG1 ILE 129 HG11 ILE 129 2.849 3.972 -9.751 996 1HG2 ILE 129 HG22 ILE 129 1.165 2.834 -13.426 997 2HG2 ILE 129 HG21 ILE 129 0.751 2.093 -11.881 998 3HG2 ILE 129 HG23 ILE 129 -0.027 3.597 -12.375 999 1HD1 ILE 129 HD11 ILE 129 0.577 5.249 -10.169 1000 2HD1 ILE 129 HD13 ILE 129 -0.138 3.706 -9.704 1001 3HD1 ILE 129 HD12 ILE 129 0.925 4.560 -8.584 1002 HA PRO 130 HA PRO 130 6.555 6.037 -11.645 1003 1HB PRO 130 HB2 PRO 130 5.642 8.503 -12.613 1004 2HB PRO 130 HB1 PRO 130 6.637 7.342 -13.502 1005 1HG PRO 130 HG2 PRO 130 3.918 8.084 -13.999 1006 2HG PRO 130 HG1 PRO 130 4.925 6.939 -14.897 1007 1HD PRO 130 HD2 PRO 130 2.807 6.398 -12.956 1008 2HD PRO 130 HD1 PRO 130 3.589 5.292 -14.099 1009 H LEU 131 HN LEU 131 6.175 6.004 -9.385 1010 HA LEU 131 HA LEU 131 4.099 7.654 -8.167 1011 1HB LEU 131 HB2 LEU 131 6.480 6.238 -6.926 1012 2HB LEU 131 HB1 LEU 131 5.135 6.948 -6.034 1013 HG LEU 131 HG LEU 131 4.721 4.845 -8.165 1014 1HD1 LEU 131 HD13 LEU 131 5.368 4.559 -5.234 1015 2HD1 LEU 131 HD12 LEU 131 4.392 3.348 -6.064 1016 3HD1 LEU 131 HD11 LEU 131 6.040 3.672 -6.603 1017 1HD2 LEU 131 HD21 LEU 131 2.816 6.325 -7.404 1018 2HD2 LEU 131 HD23 LEU 131 2.553 4.604 -7.120 1019 3HD2 LEU 131 HD22 LEU 131 3.025 5.656 -5.786 1020 H ASN 132 HN ASN 132 4.428 9.598 -7.009 1021 HA ASN 132 HA ASN 132 6.647 11.244 -7.968 1022 1HB ASN 132 HB2 ASN 132 4.202 11.984 -7.491 1023 2HB ASN 132 HB1 ASN 132 4.708 12.045 -5.801 1024 1HD2 ASN 132 HD22 ASN 132 6.922 14.834 -6.313 1025 2HD2 ASN 132 HD21 ASN 132 6.681 13.461 -5.343 1026 H TRP 133 HN TRP 133 8.468 10.145 -7.013 1027 HA TRP 133 HA TRP 133 8.662 9.752 -4.143 1028 1HB TRP 133 HB2 TRP 133 10.807 9.806 -6.286 1029 2HB TRP 133 HB1 TRP 133 11.050 9.267 -4.625 1030 HD1 TRP 133 HD1 TRP 133 9.687 8.172 -7.951 1031 HE1 TRP 133 HE1 TRP 133 8.857 5.735 -7.787 1032 HE3 TRP 133 HE3 TRP 133 9.924 7.495 -2.894 1033 HZ2 TRP 133 HZ2 TRP 133 8.359 3.762 -5.777 1034 HZ3 TRP 133 HZ3 TRP 133 9.267 5.331 -1.882 1035 HH2 TRP 133 HH2 TRP 133 8.486 3.465 -3.316 1036 H ASP 134 HN ASP 134 8.927 12.494 -6.139 1037 HA ASP 134 HA ASP 134 10.952 13.929 -4.632 1038 1HB ASP 134 HB2 ASP 134 9.023 14.556 -6.809 1039 2HB ASP 134 HB1 ASP 134 9.575 15.913 -5.828 1040 H ASP 135 HN ASP 135 8.182 12.800 -3.486 1041 HA ASP 135 HA ASP 135 7.804 15.132 -1.672 1042 1HB ASP 135 HB2 ASP 135 5.704 13.717 -3.300 1043 2HB ASP 135 HB1 ASP 135 5.279 14.442 -1.749 1044 H PHE 136 HN PHE 136 9.184 12.527 -1.415 1045 HA PHE 136 HA PHE 136 7.745 11.586 1.008 1046 1HB PHE 136 HB2 PHE 136 8.601 9.863 -1.326 1047 2HB PHE 136 HB1 PHE 136 8.334 9.196 0.286 1048 HD1 PHE 136 HD2 PHE 136 6.059 9.820 1.431 1049 HD2 PHE 136 HD1 PHE 136 6.790 10.087 -2.794 1050 HE1 PHE 136 HE2 PHE 136 3.616 9.762 1.003 1051 HE2 PHE 136 HE1 PHE 136 4.348 10.028 -3.220 1052 HZ PHE 136 HZ PHE 136 2.761 9.866 -1.322 1053 H THR 137 HN THR 137 9.300 9.869 2.125 1054 HA THR 137 HA THR 137 12.156 10.365 1.658 1055 HB THR 137 HB THR 137 11.054 11.104 4.369 1056 HG1 THR 137 HG1 THR 137 11.836 13.182 2.813 1057 1HG2 THR 137 HG23 THR 137 13.473 10.557 4.099 1058 2HG2 THR 137 HG22 THR 137 13.603 11.859 2.915 1059 3HG2 THR 137 HG21 THR 137 13.203 12.228 4.593 1060 H LYS 138 HN LYS 138 13.387 8.678 2.473 1061 HA LYS 138 HA LYS 138 11.925 6.353 3.499 1062 1HB LYS 138 HB2 LYS 138 13.970 6.434 1.843 1063 2HB LYS 138 HB1 LYS 138 14.920 6.490 3.327 1064 1HG LYS 138 HG2 LYS 138 13.692 4.450 4.121 1065 2HG LYS 138 HG1 LYS 138 12.915 4.358 2.540 1066 1HD LYS 138 HD2 LYS 138 15.920 4.462 2.825 1067 2HD LYS 138 HD1 LYS 138 15.035 2.937 2.877 1068 1HE LYS 138 HE2 LYS 138 14.016 3.495 0.669 1069 2HE LYS 138 HE1 LYS 138 15.014 4.948 0.609 1070 1HZ LYS 138 HZ1 LYS 138 16.404 2.457 1.158 1071 2HZ LYS 138 HZ3 LYS 138 15.770 2.619 -0.406 1072 3HZ LYS 138 HZ2 LYS 138 16.869 3.771 0.188 1073 H VAL 139 HN VAL 139 11.584 6.039 5.635 1074 HA VAL 139 HA VAL 139 13.218 7.549 7.597 1075 HB VAL 139 HB VAL 139 11.491 6.745 9.228 1076 1HG1 VAL 139 HG13 VAL 139 11.250 8.902 8.020 1077 2HG1 VAL 139 HG12 VAL 139 10.374 8.067 6.737 1078 3HG1 VAL 139 HG11 VAL 139 9.687 8.160 8.358 1079 1HG2 VAL 139 HG21 VAL 139 10.282 5.556 6.710 1080 2HG2 VAL 139 HG23 VAL 139 10.871 4.658 8.110 1081 3HG2 VAL 139 HG22 VAL 139 9.446 5.687 8.257 1082 H SER 140 HN SER 140 12.433 4.240 6.635 1083 HA SER 140 HA SER 140 14.816 3.294 8.111 1084 1HB SER 140 HB2 SER 140 13.408 1.355 9.018 1085 2HB SER 140 HB1 SER 140 13.173 2.918 9.797 1086 HG SER 140 HG SER 140 11.280 1.540 8.945 1087 H SER 141 HN SER 141 15.181 0.888 7.553 1088 HA SER 141 HA SER 141 13.928 -0.051 5.071 1089 1HB SER 141 HB2 SER 141 15.982 -0.073 3.756 1090 2HB SER 141 HB1 SER 141 15.655 1.576 4.280 1091 HG SER 141 HG SER 141 17.864 0.757 4.589 1092 H ARG 142 HN ARG 142 13.602 -2.148 5.613 1093 HA ARG 142 HA ARG 142 15.549 -3.533 7.366 1094 1HB ARG 142 HB2 ARG 142 12.975 -3.631 7.634 1095 2HB ARG 142 HB1 ARG 142 13.011 -4.724 6.250 1096 1HG ARG 142 HG2 ARG 142 13.154 -6.183 8.095 1097 2HG ARG 142 HG1 ARG 142 14.834 -6.005 7.585 1098 1HD ARG 142 HD2 ARG 142 14.903 -4.025 9.268 1099 2HD ARG 142 HD1 ARG 142 13.443 -4.748 9.942 1100 HE ARG 142 HE ARG 142 15.128 -6.891 9.863 1101 1HH1 ARG 142 HH21 ARG 142 15.521 -3.627 10.985 1102 2HH1 ARG 142 HH22 ARG 142 16.676 -4.059 12.201 1103 1HH2 ARG 142 HH11 ARG 142 16.629 -7.438 11.444 1104 2HH2 ARG 142 HH12 ARG 142 17.300 -6.206 12.459 1105 H THR 143 HN THR 143 17.285 -4.228 6.169 1106 HA THR 143 HA THR 143 16.902 -5.303 3.453 1107 HB THR 143 HB THR 143 19.472 -5.368 5.037 1108 HG1 THR 143 HG1 THR 143 19.184 -3.225 3.418 1109 1HG2 THR 143 HG23 THR 143 18.686 -5.312 2.126 1110 2HG2 THR 143 HG22 THR 143 20.313 -4.877 2.646 1111 3HG2 THR 143 HG21 THR 143 19.687 -6.493 2.969 1112 H VAL 144 HN VAL 144 17.269 -7.483 2.879 1113 HA VAL 144 HA VAL 144 17.899 -9.441 4.991 1114 HB VAL 144 HB VAL 144 15.459 -9.135 5.213 1115 1HG1 VAL 144 HG13 VAL 144 15.078 -8.382 2.860 1116 2HG1 VAL 144 HG12 VAL 144 15.323 -10.044 2.323 1117 3HG1 VAL 144 HG11 VAL 144 13.957 -9.646 3.365 1118 1HG2 VAL 144 HG23 VAL 144 16.558 -11.411 5.458 1119 2HG2 VAL 144 HG22 VAL 144 14.838 -11.456 5.070 1120 3HG2 VAL 144 HG21 VAL 144 16.034 -11.759 3.811 1121 H GLU 145 HN GLU 145 19.051 -11.109 4.115 1122 HA GLU 145 HA GLU 145 19.161 -11.276 1.134 1123 1HB GLU 145 HB2 GLU 145 21.357 -12.426 1.530 1124 2HB GLU 145 HB1 GLU 145 21.319 -10.771 2.139 1125 1HG GLU 145 HG2 GLU 145 20.698 -11.703 4.400 1126 2HG GLU 145 HG1 GLU 145 20.993 -13.316 3.750 1127 H ASP 146 HN ASP 146 18.382 -13.096 0.183 1128 HA ASP 146 HA ASP 146 17.349 -15.263 1.887 1129 1HB ASP 146 HB2 ASP 146 16.238 -14.214 -0.245 1130 2HB ASP 146 HB1 ASP 146 17.310 -15.306 -1.121 1131 H THR 147 HN THR 147 17.691 -17.486 0.256 1132 HA THR 147 HA THR 147 20.390 -18.279 0.912 1133 HB THR 147 HB THR 147 19.721 -20.311 -0.564 1134 HG1 THR 147 HG1 THR 147 17.306 -20.303 -0.628 1135 1HG2 THR 147 HG23 THR 147 19.554 -20.000 2.000 1136 2HG2 THR 147 HG22 THR 147 17.832 -19.745 1.716 1137 3HG2 THR 147 HG21 THR 147 18.584 -21.275 1.264 1138 H ASN 148 HN ASN 148 18.761 -17.336 -2.101 1139 HA ASN 148 HA ASN 148 21.378 -17.524 -3.515 1140 1HB ASN 148 HB2 ASN 148 19.232 -18.647 -4.416 1141 2HB ASN 148 HB1 ASN 148 18.706 -17.013 -4.821 1142 1HD2 ASN 148 HD22 ASN 148 21.487 -18.847 -7.124 1143 2HD2 ASN 148 HD21 ASN 148 20.773 -19.632 -5.800 1144 HA PRO 149 HA PRO 149 22.027 -13.119 -3.303 1145 1HB PRO 149 HB2 PRO 149 22.965 -13.041 -6.047 1146 2HB PRO 149 HB1 PRO 149 23.894 -12.867 -4.553 1147 1HG PRO 149 HG2 PRO 149 23.749 -15.129 -6.310 1148 2HG PRO 149 HG1 PRO 149 24.741 -14.918 -4.861 1149 1HD PRO 149 HD2 PRO 149 22.557 -16.659 -5.137 1150 2HD PRO 149 HD1 PRO 149 23.354 -16.207 -3.623 1151 H ALA 150 HN ALA 150 20.615 -14.434 -6.306 1152 HA ALA 150 HA ALA 150 19.378 -11.994 -7.159 1153 1HB ALA 150 HB3 ALA 150 18.729 -14.898 -7.719 1154 2HB ALA 150 HB2 ALA 150 17.889 -13.557 -8.496 1155 3HB ALA 150 HB1 ALA 150 19.620 -13.780 -8.751 1156 H LEU 151 HN LEU 151 18.436 -14.469 -4.863 1157 HA LEU 151 HA LEU 151 15.668 -13.536 -4.663 1158 1HB LEU 151 HB2 LEU 151 17.351 -15.527 -3.145 1159 2HB LEU 151 HB1 LEU 151 15.752 -15.059 -2.565 1160 HG LEU 151 HG LEU 151 16.254 -16.044 -5.383 1161 1HD1 LEU 151 HD11 LEU 151 15.331 -17.593 -2.942 1162 2HD1 LEU 151 HD13 LEU 151 15.342 -18.211 -4.594 1163 3HD1 LEU 151 HD12 LEU 151 16.862 -17.816 -3.789 1164 1HD2 LEU 151 HD21 LEU 151 13.797 -15.599 -3.666 1165 2HD2 LEU 151 HD23 LEU 151 14.204 -14.802 -5.186 1166 3HD2 LEU 151 HD22 LEU 151 13.761 -16.509 -5.176 1167 H THR 152 HN THR 152 18.093 -11.734 -4.080 1168 HA THR 152 HA THR 152 17.694 -11.095 -1.224 1169 HB THR 152 HB THR 152 19.396 -9.678 -3.297 1170 HG1 THR 152 HG1 THR 152 21.037 -10.907 -1.985 1171 1HG2 THR 152 HG21 THR 152 19.125 -9.517 -0.302 1172 2HG2 THR 152 HG23 THR 152 20.630 -9.059 -1.099 1173 3HG2 THR 152 HG22 THR 152 19.135 -8.204 -1.480 1174 H HIS 153 HN HIS 153 16.625 -9.254 -0.487 1175 HA HIS 153 HA HIS 153 15.641 -7.249 -2.404 1176 1HB HIS 153 HB2 HIS 153 13.264 -7.566 -1.658 1177 2HB HIS 153 HB1 HIS 153 13.888 -8.921 -2.596 1178 HD1 HIS 153 HD1 HIS 153 14.855 -10.981 -1.072 1179 HD2 HIS 153 HD2 HIS 153 12.295 -8.300 0.833 1180 HE1 HIS 153 HE1 HIS 153 14.042 -12.137 1.030 1181 H THR 154 HN THR 154 14.387 -5.508 -1.169 1182 HA THR 154 HA THR 154 15.108 -5.388 1.713 1183 HB THR 154 HB THR 154 15.685 -3.111 -0.201 1184 HG1 THR 154 HG1 THR 154 17.020 -5.017 -0.488 1185 1HG2 THR 154 HG21 THR 154 15.241 -2.899 2.406 1186 2HG2 THR 154 HG23 THR 154 16.908 -3.468 2.506 1187 3HG2 THR 154 HG22 THR 154 16.533 -1.981 1.632 1188 H TYR 155 HN TYR 155 13.397 -4.641 2.867 1189 HA TYR 155 HA TYR 155 11.034 -3.632 1.438 1190 1HB TYR 155 HB2 TYR 155 11.527 -4.122 4.393 1191 2HB TYR 155 HB1 TYR 155 9.969 -3.707 3.678 1192 HD1 TYR 155 HD1 TYR 155 9.153 -5.242 1.715 1193 HD2 TYR 155 HD2 TYR 155 12.141 -6.372 4.587 1194 HE1 TYR 155 HE1 TYR 155 8.757 -7.633 1.187 1195 HE2 TYR 155 HE2 TYR 155 11.745 -8.763 4.059 1196 HH TYR 155 HH TYR 155 9.250 -9.979 2.810 1197 H GLU 156 HN GLU 156 11.543 -1.537 0.740 1198 HA GLU 156 HA GLU 156 12.723 0.416 2.576 1199 1HB GLU 156 HB2 GLU 156 11.688 0.512 -0.254 1200 2HB GLU 156 HB1 GLU 156 12.087 1.996 0.611 1201 1HG GLU 156 HG2 GLU 156 14.365 1.334 0.896 1202 2HG GLU 156 HG1 GLU 156 14.018 -0.322 0.395 1203 H VAL 157 HN VAL 157 11.594 1.775 3.889 1204 HA VAL 157 HA VAL 157 8.629 1.922 3.507 1205 HB VAL 157 HB VAL 157 10.169 2.206 6.105 1206 1HG1 VAL 157 HG11 VAL 157 7.943 3.368 5.906 1207 2HG1 VAL 157 HG13 VAL 157 7.209 1.795 5.595 1208 3HG1 VAL 157 HG12 VAL 157 7.984 2.116 7.146 1209 1HG2 VAL 157 HG23 VAL 157 8.861 -0.145 4.752 1210 2HG2 VAL 157 HG22 VAL 157 10.410 -0.071 5.590 1211 3HG2 VAL 157 HG21 VAL 157 8.908 -0.056 6.513 1212 H TRP 158 HN TRP 158 8.300 3.875 2.522 1213 HA TRP 158 HA TRP 158 9.866 6.231 3.449 1214 1HB TRP 158 HB2 TRP 158 8.066 5.838 1.039 1215 2HB TRP 158 HB1 TRP 158 8.901 7.342 1.429 1216 HD1 TRP 158 HD1 TRP 158 9.920 3.615 1.081 1217 HE1 TRP 158 HE1 TRP 158 12.170 3.521 -0.173 1218 HE3 TRP 158 HE3 TRP 158 10.755 8.606 0.392 1219 HZ2 TRP 158 HZ2 TRP 158 14.073 5.324 -1.318 1220 HZ3 TRP 158 HZ3 TRP 158 12.793 9.389 -0.783 1221 HH2 TRP 158 HH2 TRP 158 14.451 7.756 -1.638 1222 H GLN 159 HN GLN 159 8.561 8.307 3.640 1223 HA GLN 159 HA GLN 159 5.751 7.861 4.501 1224 1HB GLN 159 HB2 GLN 159 8.012 8.876 6.214 1225 2HB GLN 159 HB1 GLN 159 6.356 9.403 6.518 1226 1HG GLN 159 HG2 GLN 159 7.016 6.477 6.223 1227 2HG GLN 159 HG1 GLN 159 7.208 7.296 7.773 1228 1HE2 GLN 159 HE22 GLN 159 3.775 7.107 8.485 1229 2HE2 GLN 159 HE21 GLN 159 5.364 7.272 9.060 1230 H LYS 160 HN LYS 160 4.458 9.734 4.304 1231 HA LYS 160 HA LYS 160 5.303 11.668 2.353 1232 1HB LYS 160 HB2 LYS 160 2.910 10.930 2.875 1233 2HB LYS 160 HB1 LYS 160 2.990 12.001 4.274 1234 1HG LYS 160 HG2 LYS 160 3.722 13.833 2.629 1235 2HG LYS 160 HG1 LYS 160 3.190 12.739 1.351 1236 1HD LYS 160 HD2 LYS 160 0.950 12.611 2.456 1237 2HD LYS 160 HD1 LYS 160 1.493 13.819 3.620 1238 1HE LYS 160 HE2 LYS 160 1.550 14.275 0.628 1239 2HE LYS 160 HE1 LYS 160 0.184 14.738 1.644 1240 1HZ LYS 160 HZ2 LYS 160 2.959 15.601 2.213 1241 2HZ LYS 160 HZ1 LYS 160 1.908 16.503 1.228 1242 3HZ LYS 160 HZ3 LYS 160 1.515 16.225 2.855 1243 H LYS 161 HN LYS 161 7.065 12.898 2.993 1244 HA LYS 161 HA LYS 161 6.568 14.962 5.014 1245 1HB LYS 161 HB2 LYS 161 7.528 12.857 6.194 1246 2HB LYS 161 HB1 LYS 161 9.039 13.274 5.385 1247 1HG LYS 161 HG2 LYS 161 7.539 15.385 6.910 1248 2HG LYS 161 HG1 LYS 161 8.556 14.236 7.780 1249 1HD LYS 161 HD2 LYS 161 10.360 14.858 5.996 1250 2HD LYS 161 HD1 LYS 161 9.358 16.286 5.729 1251 1HE LYS 161 HE2 LYS 161 9.556 16.942 8.048 1252 2HE LYS 161 HE1 LYS 161 10.367 15.430 8.455 1253 1HZ LYS 161 HZ3 LYS 161 11.843 16.463 6.405 1254 2HZ LYS 161 HZ2 LYS 161 11.449 17.827 7.339 1255 3HZ LYS 161 HZ1 LYS 161 12.251 16.508 8.051 1256 H ALA 162 HN ALA 162 7.173 16.729 3.868 1257 HA ALA 162 HA ALA 162 9.318 16.534 1.851 1258 1HB ALA 162 HB2 ALA 162 7.204 17.796 1.393 1259 2HB ALA 162 HB1 ALA 162 7.649 18.933 2.666 1260 3HB ALA 162 HB3 ALA 162 8.648 18.792 1.221 1261 1H9 TMQ 170 H91 TMQ 170 0.148 -9.801 -6.626 1262 2H9 TMQ 170 H92 TMQ 170 -0.864 -10.498 -5.352 1263 HN1 TMQ 170 H1N TMQ 170 0.825 -11.922 -7.124 1264 1H17 TMQ 170 HM1 TMQ 170 -0.427 -7.026 -4.500 1265 2H17 TMQ 170 HM2 TMQ 170 -1.191 -8.063 -3.289 1266 3H17 TMQ 170 HM3 TMQ 170 -1.124 -8.573 -4.975 1267 1H21 TMQ 170 HW11 TMQ 170 -0.775 -12.161 -1.578 1268 2H21 TMQ 170 HW12 TMQ 170 -2.252 -12.753 -0.801 1269 3H21 TMQ 170 HW13 TMQ 170 -2.307 -12.152 -2.466 1270 1H22 TMQ 170 HI1 TMQ 170 1.245 -15.427 -1.472 1271 2H22 TMQ 170 HI2 TMQ 170 1.084 -17.187 -1.365 1272 3H22 TMQ 170 HI3 TMQ 170 2.058 -16.463 -2.655 1273 1H23 TMQ 170 HW21 TMQ 170 2.888 -15.837 -6.681 1274 2H23 TMQ 170 HW22 TMQ 170 2.455 -17.554 -6.669 1275 3H23 TMQ 170 HW23 TMQ 170 1.246 -16.340 -7.116 1276 1HN2 TMQ 170 HN21 TMQ 170 5.451 -7.609 -0.060 1277 2HN2 TMQ 170 HN22 TMQ 170 4.455 -6.283 0.439 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.308 -6.408 -2.621 1279 2HN5 TMQ 170 HN42 TMQ 170 0.416 -5.476 -1.385 1280 HN TMQ 170 H1 TMQ 170 4.725 -9.023 -1.704 1281 H7 TMQ 170 H7 TMQ 170 2.564 -11.433 -5.079 1282 H8 TMQ 170 H8 TMQ 170 4.173 -10.636 -3.408 1283 H12 TMQ 170 HP2 TMQ 170 -1.031 -11.954 -4.011 1284 H16 TMQ 170 HP6 TMQ 170 1.741 -14.092 -6.545 No H/Q in entry = 1284 Start of MODEL 15 1 1H THR 1 HT2 THR 1 -3.238 5.677 5.169 2 2H THR 1 HT1 THR 1 -3.122 6.735 3.845 3 3H THR 1 HT3 THR 1 -4.644 6.223 4.389 4 HA THR 1 HA THR 1 -4.301 4.023 3.647 5 HB THR 1 HB THR 1 -3.101 5.764 1.487 6 HG1 THR 1 HG1 THR 1 -5.068 6.542 2.793 7 1HG2 THR 1 HG21 THR 1 -4.707 3.243 1.644 8 2HG2 THR 1 HG23 THR 1 -4.922 4.294 0.245 9 3HG2 THR 1 HG22 THR 1 -3.330 3.631 0.612 10 H ALA 2 HN ALA 2 -2.877 2.337 3.097 11 HA ALA 2 HA ALA 2 0.035 2.991 3.343 12 1HB ALA 2 HB3 ALA 2 -1.465 0.519 4.265 13 2HB ALA 2 HB2 ALA 2 0.289 0.701 4.313 14 3HB ALA 2 HB1 ALA 2 -0.732 1.745 5.300 15 H PHE 3 HN PHE 3 0.951 2.768 1.366 16 HA PHE 3 HA PHE 3 -0.213 0.925 -0.620 17 1HB PHE 3 HB2 PHE 3 1.916 3.050 -0.670 18 2HB PHE 3 HB1 PHE 3 1.815 1.874 -1.979 19 HD1 PHE 3 HD1 PHE 3 -0.707 3.762 0.078 20 HD2 PHE 3 HD2 PHE 3 0.713 2.719 -3.841 21 HE1 PHE 3 HE1 PHE 3 -2.569 5.043 -0.938 22 HE2 PHE 3 HE2 PHE 3 -1.150 4.001 -4.856 23 HZ PHE 3 HZ PHE 3 -2.791 5.163 -3.405 24 H LEU 4 HN LEU 4 0.674 -1.034 -1.165 25 HA LEU 4 HA LEU 4 3.438 -1.688 -0.347 26 1HB LEU 4 HB2 LEU 4 1.977 -2.277 1.605 27 2HB LEU 4 HB1 LEU 4 1.081 -3.373 0.552 28 HG LEU 4 HG LEU 4 3.474 -4.339 0.017 29 1HD1 LEU 4 HD12 LEU 4 3.843 -2.719 2.518 30 2HD1 LEU 4 HD11 LEU 4 4.727 -4.234 2.337 31 3HD1 LEU 4 HD13 LEU 4 4.947 -2.939 1.160 32 1HD2 LEU 4 HD21 LEU 4 1.933 -4.806 2.587 33 2HD2 LEU 4 HD23 LEU 4 1.743 -5.669 1.061 34 3HD2 LEU 4 HD22 LEU 4 3.215 -5.872 2.011 35 H TRP 5 HN TRP 5 4.243 -2.439 -2.250 36 HA TRP 5 HA TRP 5 2.755 -4.593 -3.642 37 1HB TRP 5 HB2 TRP 5 3.041 -3.525 -5.835 38 2HB TRP 5 HB1 TRP 5 2.101 -2.484 -4.771 39 HD1 TRP 5 HD1 TRP 5 5.050 -2.471 -6.966 40 HE1 TRP 5 HE1 TRP 5 6.428 -0.317 -6.647 41 HE3 TRP 5 HE3 TRP 5 2.926 -0.687 -2.674 42 HZ2 TRP 5 HZ2 TRP 5 6.609 1.871 -4.816 43 HZ3 TRP 5 HZ3 TRP 5 3.725 1.430 -1.665 44 HH2 TRP 5 HH2 TRP 5 5.559 2.711 -2.730 45 H ALA 6 HN ALA 6 4.116 -6.133 -4.517 46 HA ALA 6 HA ALA 6 7.003 -5.812 -3.944 47 1HB ALA 6 HB2 ALA 6 5.321 -8.185 -4.794 48 2HB ALA 6 HB1 ALA 6 7.072 -8.258 -4.595 49 3HB ALA 6 HB3 ALA 6 6.041 -7.900 -3.209 50 H GLN 7 HN GLN 7 8.149 -4.844 -5.552 51 HA GLN 7 HA GLN 7 7.631 -5.742 -8.356 52 1HB GLN 7 HB2 GLN 7 8.188 -3.424 -9.098 53 2HB GLN 7 HB1 GLN 7 6.726 -3.486 -8.115 54 1HG GLN 7 HG2 GLN 7 7.760 -1.787 -6.983 55 2HG GLN 7 HG1 GLN 7 8.570 -3.122 -6.165 56 1HE2 GLN 7 HE22 GLN 7 11.728 -2.120 -7.329 57 2HE2 GLN 7 HE21 GLN 7 10.812 -2.945 -6.162 58 H ASP 8 HN ASP 8 9.538 -5.607 -9.752 59 HA ASP 8 HA ASP 8 12.051 -5.985 -8.197 60 1HB ASP 8 HB2 ASP 8 12.885 -7.012 -10.351 61 2HB ASP 8 HB1 ASP 8 11.528 -7.867 -9.617 62 H ARG 9 HN ARG 9 14.075 -5.188 -9.385 63 HA ARG 9 HA ARG 9 13.938 -2.367 -9.761 64 1HB ARG 9 HB2 ARG 9 16.266 -2.612 -10.664 65 2HB ARG 9 HB1 ARG 9 16.027 -3.436 -9.123 66 1HG ARG 9 HG2 ARG 9 15.899 -5.570 -10.160 67 2HG ARG 9 HG1 ARG 9 15.680 -4.864 -11.762 68 1HD ARG 9 HD2 ARG 9 18.187 -4.492 -10.103 69 2HD ARG 9 HD1 ARG 9 18.007 -5.750 -11.326 70 HE ARG 9 HE ARG 9 17.364 -3.168 -12.436 71 1HH1 ARG 9 HH21 ARG 9 20.005 -5.183 -11.419 72 2HH1 ARG 9 HH22 ARG 9 21.137 -4.453 -12.509 73 1HH2 ARG 9 HH11 ARG 9 18.842 -2.229 -13.845 74 2HH2 ARG 9 HH12 ARG 9 20.480 -2.789 -13.875 75 H ASP 10 HN ASP 10 13.445 -5.011 -11.967 76 HA ASP 10 HA ASP 10 13.935 -3.606 -14.427 77 1HB ASP 10 HB2 ASP 10 12.286 -6.033 -13.711 78 2HB ASP 10 HB1 ASP 10 12.344 -5.407 -15.359 79 H GLY 11 HN GLY 11 11.687 -2.942 -12.082 80 1HA GLY 11 HA2 GLY 11 9.900 -1.402 -12.112 81 2HA GLY 11 HA1 GLY 11 10.158 -1.204 -13.847 82 H LEU 12 HN LEU 12 9.444 -4.153 -11.975 83 HA LEU 12 HA LEU 12 6.930 -4.432 -13.579 84 1HB LEU 12 HB2 LEU 12 8.933 -6.001 -14.134 85 2HB LEU 12 HB1 LEU 12 8.528 -6.796 -12.612 86 HG LEU 12 HG LEU 12 6.087 -6.794 -13.567 87 1HD1 LEU 12 HD12 LEU 12 6.846 -5.344 -15.532 88 2HD1 LEU 12 HD11 LEU 12 7.656 -6.782 -16.154 89 3HD1 LEU 12 HD13 LEU 12 5.904 -6.774 -15.949 90 1HD2 LEU 12 HD21 LEU 12 7.781 -8.738 -13.220 91 2HD2 LEU 12 HD23 LEU 12 6.428 -9.006 -14.319 92 3HD2 LEU 12 HD22 LEU 12 8.027 -8.635 -14.963 93 H ILE 13 HN ILE 13 5.171 -5.479 -12.475 94 HA ILE 13 HA ILE 13 5.539 -5.733 -9.524 95 HB ILE 13 HB ILE 13 3.428 -4.656 -9.110 96 1HG1 ILE 13 HG12 ILE 13 2.194 -5.503 -11.095 97 2HG1 ILE 13 HG11 ILE 13 1.991 -3.767 -10.892 98 1HG2 ILE 13 HG22 ILE 13 5.251 -3.185 -11.003 99 2HG2 ILE 13 HG21 ILE 13 3.857 -2.394 -10.268 100 3HG2 ILE 13 HG23 ILE 13 5.140 -3.048 -9.248 101 1HD1 ILE 13 HD13 ILE 13 4.179 -3.813 -12.516 102 2HD1 ILE 13 HD12 ILE 13 3.351 -5.274 -13.052 103 3HD1 ILE 13 HD11 ILE 13 2.523 -3.720 -13.112 104 H GLY 14 HN GLY 14 3.819 -6.780 -12.417 105 1HA GLY 14 HA2 GLY 14 3.252 -9.359 -11.069 106 2HA GLY 14 HA1 GLY 14 1.882 -8.491 -11.762 107 H LYS 15 HN LYS 15 2.140 -10.842 -12.885 108 HA LYS 15 HA LYS 15 2.799 -10.298 -15.636 109 1HB LYS 15 HB2 LYS 15 5.099 -10.619 -14.653 110 2HB LYS 15 HB1 LYS 15 4.630 -12.268 -14.237 111 1HG LYS 15 HG2 LYS 15 4.015 -12.563 -16.703 112 2HG LYS 15 HG1 LYS 15 4.866 -11.046 -16.992 113 1HD LYS 15 HD2 LYS 15 6.906 -12.002 -15.967 114 2HD LYS 15 HD1 LYS 15 6.055 -13.527 -15.716 115 1HE LYS 15 HE2 LYS 15 6.338 -12.248 -18.443 116 2HE LYS 15 HE1 LYS 15 7.502 -13.412 -17.811 117 1HZ LYS 15 HZ1 LYS 15 4.791 -14.281 -17.510 118 2HZ LYS 15 HZ3 LYS 15 5.202 -14.014 -19.133 119 3HZ LYS 15 HZ2 LYS 15 6.120 -15.091 -18.193 120 H ASP 16 HN ASP 16 1.173 -11.407 -16.590 121 HA ASP 16 HA ASP 16 -0.338 -13.126 -17.098 122 1HB ASP 16 HB2 ASP 16 2.099 -14.522 -16.112 123 2HB ASP 16 HB1 ASP 16 0.617 -15.476 -16.170 124 H GLY 17 HN GLY 17 -0.543 -11.669 -14.537 125 1HA GLY 17 HA2 GLY 17 -2.256 -11.810 -12.877 126 2HA GLY 17 HA1 GLY 17 -2.392 -13.539 -13.197 127 H HIS 18 HN HIS 18 -0.091 -14.666 -12.708 128 HA HIS 18 HA HIS 18 0.355 -14.216 -9.846 129 1HB HIS 18 HB2 HIS 18 1.904 -16.178 -10.074 130 2HB HIS 18 HB1 HIS 18 0.268 -16.511 -10.642 131 HD1 HIS 18 HD1 HIS 18 3.775 -15.952 -11.873 132 HD2 HIS 18 HD2 HIS 18 0.035 -16.900 -13.449 133 HE1 HIS 18 HE1 HIS 18 4.168 -16.653 -14.274 134 H LEU 19 HN LEU 19 2.878 -14.476 -9.240 135 HA LEU 19 HA LEU 19 4.172 -12.111 -10.439 136 1HB LEU 19 HB2 LEU 19 4.656 -13.809 -8.005 137 2HB LEU 19 HB1 LEU 19 5.939 -12.761 -8.609 138 HG LEU 19 HG LEU 19 3.129 -11.797 -8.016 139 1HD1 LEU 19 HD11 LEU 19 5.644 -11.783 -6.327 140 2HD1 LEU 19 HD13 LEU 19 4.269 -10.722 -6.012 141 3HD1 LEU 19 HD12 LEU 19 4.073 -12.473 -5.913 142 1HD2 LEU 19 HD21 LEU 19 5.699 -10.557 -8.933 143 2HD2 LEU 19 HD23 LEU 19 4.046 -10.213 -9.445 144 3HD2 LEU 19 HD22 LEU 19 4.635 -9.609 -7.895 145 HA PRO 20 HA PRO 20 7.016 -14.464 -12.932 146 1HB PRO 20 HB2 PRO 20 9.089 -12.588 -12.991 147 2HB PRO 20 HB1 PRO 20 7.688 -12.617 -14.072 148 1HG PRO 20 HG2 PRO 20 8.319 -10.710 -12.020 149 2HG PRO 20 HG1 PRO 20 6.962 -10.701 -13.155 150 1HD PRO 20 HD2 PRO 20 6.979 -11.424 -10.334 151 2HD PRO 20 HD1 PRO 20 5.600 -11.157 -11.410 152 H TRP 21 HN TRP 21 8.116 -13.108 -9.879 153 HA TRP 21 HA TRP 21 10.369 -15.063 -9.816 154 1HB TRP 21 HB2 TRP 21 11.165 -13.701 -7.867 155 2HB TRP 21 HB1 TRP 21 11.059 -12.776 -9.364 156 HD1 TRP 21 HD1 TRP 21 9.235 -13.304 -6.035 157 HE1 TRP 21 HE1 TRP 21 7.715 -11.268 -5.597 158 HE3 TRP 21 HE3 TRP 21 9.805 -10.810 -10.455 159 HZ2 TRP 21 HZ2 TRP 21 6.854 -8.896 -6.944 160 HZ3 TRP 21 HZ3 TRP 21 8.625 -8.668 -10.850 161 HH2 TRP 21 HH2 TRP 21 7.152 -7.707 -9.102 162 H HIS 22 HN HIS 22 10.738 -16.066 -7.596 163 HA HIS 22 HA HIS 22 8.118 -16.670 -6.279 164 1HB HIS 22 HB2 HIS 22 9.191 -18.524 -7.725 165 2HB HIS 22 HB1 HIS 22 10.407 -18.630 -6.452 166 HD1 HIS 22 HD1 HIS 22 6.593 -18.336 -6.404 167 HD2 HIS 22 HD2 HIS 22 9.641 -20.624 -4.717 168 HE1 HIS 22 HE1 HIS 22 5.471 -19.987 -4.846 169 H LEU 23 HN LEU 23 8.656 -14.983 -4.723 170 HA LEU 23 HA LEU 23 10.944 -15.648 -2.924 171 1HB LEU 23 HB2 LEU 23 10.736 -13.321 -3.978 172 2HB LEU 23 HB1 LEU 23 9.338 -13.084 -2.927 173 HG LEU 23 HG LEU 23 10.787 -13.637 -0.961 174 1HD1 LEU 23 HD12 LEU 23 12.838 -13.811 -3.162 175 2HD1 LEU 23 HD11 LEU 23 13.317 -13.376 -1.522 176 3HD1 LEU 23 HD13 LEU 23 12.548 -14.932 -1.832 177 1HD2 LEU 23 HD23 LEU 23 10.487 -11.263 -2.232 178 2HD2 LEU 23 HD22 LEU 23 11.434 -11.445 -0.755 179 3HD2 LEU 23 HD21 LEU 23 12.240 -11.429 -2.323 180 HA PRO 24 HA PRO 24 7.203 -17.456 -0.764 181 1HB PRO 24 HB2 PRO 24 9.250 -18.618 0.958 182 2HB PRO 24 HB1 PRO 24 8.057 -19.432 -0.063 183 1HG PRO 24 HG2 PRO 24 10.854 -19.066 -0.549 184 2HG PRO 24 HG1 PRO 24 9.667 -19.915 -1.547 185 1HD PRO 24 HD2 PRO 24 10.945 -17.505 -2.194 186 2HD PRO 24 HD1 PRO 24 9.528 -18.189 -3.006 187 H ASP 25 HN ASP 25 10.143 -15.962 0.572 188 HA ASP 25 HA ASP 25 9.105 -15.389 3.174 189 1HB ASP 25 HB2 ASP 25 11.542 -15.190 2.218 190 2HB ASP 25 HB1 ASP 25 11.045 -13.550 1.796 191 H ASP 26 HN ASP 26 8.977 -13.601 0.115 192 HA ASP 26 HA ASP 26 7.754 -11.234 1.240 193 1HB ASP 26 HB2 ASP 26 8.956 -11.281 -0.953 194 2HB ASP 26 HB1 ASP 26 7.638 -12.249 -1.616 195 H LEU 27 HN LEU 27 6.538 -14.276 -0.053 196 HA LEU 27 HA LEU 27 3.768 -13.434 -0.208 197 1HB LEU 27 HB2 LEU 27 4.996 -16.203 -0.023 198 2HB LEU 27 HB1 LEU 27 3.304 -15.873 -0.395 199 HG LEU 27 HG LEU 27 5.639 -14.813 -2.011 200 1HD1 LEU 27 HD12 LEU 27 4.035 -17.328 -2.169 201 2HD1 LEU 27 HD11 LEU 27 4.454 -16.526 -3.682 202 3HD1 LEU 27 HD13 LEU 27 5.726 -17.050 -2.581 203 1HD2 LEU 27 HD21 LEU 27 2.637 -14.679 -2.231 204 2HD2 LEU 27 HD23 LEU 27 3.816 -13.375 -2.386 205 3HD2 LEU 27 HD22 LEU 27 3.642 -14.564 -3.677 206 H HIS 28 HN HIS 28 5.851 -14.575 2.335 207 HA HIS 28 HA HIS 28 3.653 -15.316 4.128 208 1HB HIS 28 HB2 HIS 28 6.646 -15.072 4.443 209 2HB HIS 28 HB1 HIS 28 5.595 -15.358 5.830 210 HD1 HIS 28 HD1 HIS 28 3.589 -17.334 4.792 211 HD2 HIS 28 HD2 HIS 28 7.629 -17.573 3.795 212 HE1 HIS 28 HE1 HIS 28 4.015 -19.733 4.100 213 H TYR 29 HN TYR 29 5.665 -12.509 3.492 214 HA TYR 29 HA TYR 29 4.987 -11.066 5.903 215 1HB TYR 29 HB2 TYR 29 6.942 -10.590 4.328 216 2HB TYR 29 HB1 TYR 29 5.765 -9.841 3.247 217 HD1 TYR 29 HD1 TYR 29 6.448 -9.839 6.945 218 HD2 TYR 29 HD2 TYR 29 5.646 -7.528 3.415 219 HE1 TYR 29 HE1 TYR 29 6.537 -7.756 8.288 220 HE2 TYR 29 HE2 TYR 29 5.735 -5.445 4.758 221 HH TYR 29 HH TYR 29 6.888 -5.405 8.010 222 H PHE 30 HN PHE 30 3.404 -11.578 2.841 223 HA PHE 30 HA PHE 30 1.646 -9.321 2.851 224 1HB PHE 30 HB2 PHE 30 2.028 -10.924 0.925 225 2HB PHE 30 HB1 PHE 30 1.009 -12.082 1.780 226 HD1 PHE 30 HD2 PHE 30 1.024 -8.542 0.555 227 HD2 PHE 30 HD1 PHE 30 -1.317 -12.016 1.505 228 HE1 PHE 30 HE2 PHE 30 -1.002 -7.421 -0.338 229 HE2 PHE 30 HE1 PHE 30 -3.343 -10.895 0.613 230 HZ PHE 30 HZ PHE 30 -3.185 -8.598 -0.308 231 H ARG 31 HN ARG 31 1.267 -12.616 4.169 232 HA ARG 31 HA ARG 31 -1.385 -12.229 5.186 233 1HB ARG 31 HB2 ARG 31 -0.104 -14.437 4.897 234 2HB ARG 31 HB1 ARG 31 0.692 -14.046 6.422 235 1HG ARG 31 HG2 ARG 31 -1.423 -13.988 7.591 236 2HG ARG 31 HG1 ARG 31 -2.316 -14.152 6.078 237 1HD ARG 31 HD2 ARG 31 -1.251 -16.376 5.725 238 2HD ARG 31 HD1 ARG 31 -0.457 -16.217 7.293 239 HE ARG 31 HE ARG 31 -3.244 -15.835 7.692 240 1HH1 ARG 31 HH21 ARG 31 -0.997 -18.306 6.737 241 2HH1 ARG 31 HH22 ARG 31 -1.976 -19.599 7.347 242 1HH2 ARG 31 HH11 ARG 31 -4.505 -17.521 8.479 243 2HH2 ARG 31 HH12 ARG 31 -3.952 -19.155 8.329 244 H ALA 32 HN ALA 32 1.787 -11.385 6.409 245 HA ALA 32 HA ALA 32 0.862 -10.829 9.123 246 1HB ALA 32 HB3 ALA 32 3.416 -10.174 7.633 247 2HB ALA 32 HB2 ALA 32 3.136 -9.713 9.312 248 3HB ALA 32 HB1 ALA 32 3.179 -11.418 8.862 249 H GLN 33 HN GLN 33 1.198 -9.055 6.121 250 HA GLN 33 HA GLN 33 0.523 -6.510 7.515 251 1HB GLN 33 HB2 GLN 33 1.678 -7.174 4.813 252 2HB GLN 33 HB1 GLN 33 0.935 -5.600 5.105 253 1HG GLN 33 HG2 GLN 33 3.087 -6.760 6.890 254 2HG GLN 33 HG1 GLN 33 3.440 -5.700 5.524 255 1HE2 GLN 33 HE22 GLN 33 2.351 -2.759 7.176 256 2HE2 GLN 33 HE21 GLN 33 2.875 -3.441 5.713 257 H THR 34 HN THR 34 -1.438 -8.652 7.159 258 HA THR 34 HA THR 34 -3.444 -7.111 5.591 259 HB THR 34 HB THR 34 -4.328 -9.347 4.744 260 HG1 THR 34 HG1 THR 34 -2.083 -10.661 4.707 261 1HG2 THR 34 HG23 THR 34 -1.673 -8.198 3.897 262 2HG2 THR 34 HG22 THR 34 -2.421 -9.531 3.016 263 3HG2 THR 34 HG21 THR 34 -3.253 -7.981 3.145 264 H VAL 35 HN VAL 35 -2.723 -9.556 8.034 265 HA VAL 35 HA VAL 35 -5.439 -9.918 8.933 266 HB VAL 35 HB VAL 35 -4.350 -10.859 10.988 267 1HG1 VAL 35 HG12 VAL 35 -3.435 -11.697 8.236 268 2HG1 VAL 35 HG11 VAL 35 -2.992 -12.618 9.672 269 3HG1 VAL 35 HG13 VAL 35 -4.690 -12.422 9.239 270 1HG2 VAL 35 HG23 VAL 35 -1.877 -9.839 9.568 271 2HG2 VAL 35 HG22 VAL 35 -2.417 -9.449 11.200 272 3HG2 VAL 35 HG21 VAL 35 -1.816 -11.066 10.833 273 H GLY 36 HN GLY 36 -6.659 -8.531 10.110 274 1HA GLY 36 HA2 GLY 36 -7.187 -6.889 11.731 275 2HA GLY 36 HA1 GLY 36 -5.472 -6.778 12.129 276 H LYS 37 HN LYS 37 -6.871 -6.421 8.898 277 HA LYS 37 HA LYS 37 -6.583 -3.493 8.970 278 1HB LYS 37 HB2 LYS 37 -4.767 -5.285 7.345 279 2HB LYS 37 HB1 LYS 37 -5.049 -3.596 6.921 280 1HG LYS 37 HG2 LYS 37 -4.429 -3.101 9.396 281 2HG LYS 37 HG1 LYS 37 -3.728 -4.719 9.384 282 1HD LYS 37 HD2 LYS 37 -2.454 -4.024 7.294 283 2HD LYS 37 HD1 LYS 37 -2.983 -2.374 7.624 284 1HE LYS 37 HE2 LYS 37 -1.556 -4.058 9.690 285 2HE LYS 37 HE1 LYS 37 -0.693 -3.017 8.558 286 1HZ LYS 37 HZ1 LYS 37 -2.812 -1.565 9.678 287 2HZ LYS 37 HZ3 LYS 37 -1.954 -2.297 10.944 288 3HZ LYS 37 HZ2 LYS 37 -1.143 -1.290 9.841 289 H ILE 38 HN ILE 38 -7.040 -2.658 6.602 290 HA ILE 38 HA ILE 38 -9.408 -4.177 5.636 291 HB ILE 38 HB ILE 38 -8.516 -1.366 4.923 292 1HG1 ILE 38 HG12 ILE 38 -10.652 -2.228 6.897 293 2HG1 ILE 38 HG11 ILE 38 -9.027 -1.730 7.374 294 1HG2 ILE 38 HG22 ILE 38 -10.043 -2.465 3.306 295 2HG2 ILE 38 HG21 ILE 38 -11.178 -2.791 4.617 296 3HG2 ILE 38 HG23 ILE 38 -10.834 -1.128 4.141 297 1HD1 ILE 38 HD11 ILE 38 -9.492 0.407 5.990 298 2HD1 ILE 38 HD13 ILE 38 -11.185 -0.080 6.062 299 3HD1 ILE 38 HD12 ILE 38 -10.299 0.254 7.550 300 H MET 39 HN MET 39 -8.605 -5.721 4.223 301 HA MET 39 HA MET 39 -6.449 -5.192 2.359 302 1HB MET 39 HB2 MET 39 -7.273 -7.472 3.303 303 2HB MET 39 HB1 MET 39 -8.484 -7.391 2.023 304 1HG MET 39 HG2 MET 39 -5.612 -6.885 1.327 305 2HG MET 39 HG1 MET 39 -6.149 -8.547 1.572 306 1HE MET 39 HE1 MET 39 -7.552 -9.730 0.598 307 2HE MET 39 HE3 MET 39 -9.035 -9.077 -0.114 308 3HE MET 39 HE2 MET 39 -7.770 -9.735 -1.150 309 H VAL 40 HN VAL 40 -6.612 -4.155 0.436 310 HA VAL 40 HA VAL 40 -9.269 -4.089 -0.928 311 HB VAL 40 HB VAL 40 -7.361 -1.741 -0.719 312 1HG1 VAL 40 HG12 VAL 40 -8.781 -1.856 -2.765 313 2HG1 VAL 40 HG11 VAL 40 -10.212 -1.936 -1.737 314 3HG1 VAL 40 HG13 VAL 40 -9.202 -0.490 -1.733 315 1HG2 VAL 40 HG22 VAL 40 -9.841 -2.495 0.830 316 2HG2 VAL 40 HG21 VAL 40 -8.280 -1.962 1.453 317 3HG2 VAL 40 HG23 VAL 40 -9.351 -0.810 0.656 318 H VAL 41 HN VAL 41 -9.020 -5.016 -2.891 319 HA VAL 41 HA VAL 41 -6.508 -4.475 -4.410 320 HB VAL 41 HB VAL 41 -6.590 -6.845 -5.227 321 1HG1 VAL 41 HG12 VAL 41 -6.140 -6.102 -2.358 322 2HG1 VAL 41 HG11 VAL 41 -6.022 -7.801 -2.819 323 3HG1 VAL 41 HG13 VAL 41 -4.971 -6.605 -3.579 324 1HG2 VAL 41 HG23 VAL 41 -9.099 -6.984 -4.473 325 2HG2 VAL 41 HG22 VAL 41 -8.080 -8.417 -4.322 326 3HG2 VAL 41 HG21 VAL 41 -8.419 -7.421 -2.905 327 H GLY 42 HN GLY 42 -7.000 -5.565 -6.778 328 1HA GLY 42 HA2 GLY 42 -9.465 -4.173 -7.684 329 2HA GLY 42 HA1 GLY 42 -8.122 -4.658 -8.720 330 H ARG 43 HN ARG 43 -10.080 -5.521 -9.983 331 HA ARG 43 HA ARG 43 -11.349 -7.943 -8.941 332 1HB ARG 43 HB2 ARG 43 -12.381 -6.283 -10.606 333 2HB ARG 43 HB1 ARG 43 -11.332 -7.018 -11.819 334 1HG ARG 43 HG2 ARG 43 -12.309 -9.275 -11.012 335 2HG ARG 43 HG1 ARG 43 -13.567 -8.300 -10.253 336 1HD ARG 43 HD2 ARG 43 -14.277 -9.003 -12.498 337 2HD ARG 43 HD1 ARG 43 -14.064 -7.253 -12.443 338 HE ARG 43 HE ARG 43 -11.622 -8.049 -13.330 339 1HH1 ARG 43 HH11 ARG 43 -14.841 -8.974 -14.250 340 2HH1 ARG 43 HH12 ARG 43 -14.401 -9.322 -15.889 341 1HH2 ARG 43 HH21 ARG 43 -11.063 -8.503 -15.458 342 2HH2 ARG 43 HH22 ARG 43 -12.272 -9.056 -16.568 343 H ARG 44 HN ARG 44 -8.714 -7.148 -11.162 344 HA ARG 44 HA ARG 44 -8.310 -9.846 -12.115 345 1HB ARG 44 HB2 ARG 44 -7.462 -7.701 -13.205 346 2HB ARG 44 HB1 ARG 44 -6.216 -7.666 -11.956 347 1HG ARG 44 HG2 ARG 44 -5.670 -10.074 -12.664 348 2HG ARG 44 HG1 ARG 44 -6.655 -9.756 -14.092 349 1HD ARG 44 HD2 ARG 44 -5.226 -7.730 -14.534 350 2HD ARG 44 HD1 ARG 44 -4.173 -8.252 -13.219 351 HE ARG 44 HE ARG 44 -4.493 -10.435 -15.022 352 1HH1 ARG 44 HH21 ARG 44 -3.083 -7.263 -14.862 353 2HH1 ARG 44 HH22 ARG 44 -1.833 -7.632 -16.002 354 1HH2 ARG 44 HH11 ARG 44 -2.865 -10.900 -16.500 355 2HH2 ARG 44 HH12 ARG 44 -1.711 -9.681 -16.925 356 H THR 45 HN THR 45 -6.890 -7.917 -9.487 357 HA THR 45 HA THR 45 -5.013 -9.978 -8.684 358 HB THR 45 HB THR 45 -6.087 -7.716 -6.980 359 HG1 THR 45 HG1 THR 45 -5.128 -7.294 -9.215 360 1HG2 THR 45 HG22 THR 45 -4.736 -9.422 -5.821 361 2HG2 THR 45 HG21 THR 45 -3.447 -9.205 -7.005 362 3HG2 THR 45 HG23 THR 45 -3.873 -7.887 -5.913 363 H TYR 46 HN TYR 46 -8.359 -9.270 -7.997 364 HA TYR 46 HA TYR 46 -8.631 -10.729 -5.548 365 1HB TYR 46 HB2 TYR 46 -10.340 -9.155 -6.558 366 2HB TYR 46 HB1 TYR 46 -10.738 -10.434 -7.705 367 HD1 TYR 46 HD1 TYR 46 -10.187 -10.052 -4.006 368 HD2 TYR 46 HD2 TYR 46 -12.519 -11.822 -7.150 369 HE1 TYR 46 HE1 TYR 46 -11.661 -11.111 -2.316 370 HE2 TYR 46 HE2 TYR 46 -13.993 -12.880 -5.460 371 HH TYR 46 HH TYR 46 -14.528 -12.974 -3.290 372 H GLU 47 HN GLU 47 -9.038 -11.717 -8.952 373 HA GLU 47 HA GLU 47 -9.620 -14.486 -8.240 374 1HB GLU 47 HB2 GLU 47 -8.875 -13.213 -10.892 375 2HB GLU 47 HB1 GLU 47 -9.421 -14.878 -10.692 376 1HG GLU 47 HG2 GLU 47 -11.044 -12.521 -9.718 377 2HG GLU 47 HG1 GLU 47 -11.220 -13.180 -11.345 378 H SER 48 HN SER 48 -6.765 -12.597 -8.836 379 HA SER 48 HA SER 48 -4.966 -14.681 -9.605 380 1HB SER 48 HB2 SER 48 -4.462 -12.109 -8.081 381 2HB SER 48 HB1 SER 48 -3.193 -13.143 -8.728 382 HG SER 48 HG SER 48 -4.224 -11.249 -10.011 383 H PHE 49 HN PHE 49 -6.379 -13.826 -6.542 384 HA PHE 49 HA PHE 49 -4.453 -15.063 -4.812 385 1HB PHE 49 HB2 PHE 49 -7.416 -14.519 -4.504 386 2HB PHE 49 HB1 PHE 49 -6.429 -15.205 -3.213 387 HD1 PHE 49 HD2 PHE 49 -3.977 -13.863 -3.132 388 HD2 PHE 49 HD1 PHE 49 -7.797 -12.241 -4.239 389 HE1 PHE 49 HE2 PHE 49 -3.189 -11.591 -2.525 390 HE2 PHE 49 HE1 PHE 49 -7.009 -9.969 -3.633 391 HZ PHE 49 HZ PHE 49 -4.704 -9.643 -2.776 392 HA PRO 50 HA PRO 50 -5.374 -19.384 -5.341 393 1HB PRO 50 HB2 PRO 50 -4.801 -20.235 -2.737 394 2HB PRO 50 HB1 PRO 50 -3.625 -20.022 -4.041 395 1HG PRO 50 HG2 PRO 50 -3.903 -18.486 -1.640 396 2HG PRO 50 HG1 PRO 50 -2.709 -18.299 -2.932 397 1HD PRO 50 HD2 PRO 50 -5.101 -16.709 -2.396 398 2HD PRO 50 HD1 PRO 50 -3.737 -16.353 -3.469 399 H LYS 51 HN LYS 51 -6.303 -18.827 -1.938 400 HA LYS 51 HA LYS 51 -8.976 -19.999 -2.584 401 1HB LYS 51 HB2 LYS 51 -7.413 -21.122 -0.868 402 2HB LYS 51 HB1 LYS 51 -7.780 -19.750 0.179 403 1HG LYS 51 HG2 LYS 51 -10.136 -20.258 0.146 404 2HG LYS 51 HG1 LYS 51 -9.908 -21.481 -1.106 405 1HD LYS 51 HD2 LYS 51 -8.717 -22.923 0.390 406 2HD LYS 51 HD1 LYS 51 -8.579 -21.652 1.607 407 1HE LYS 51 HE2 LYS 51 -11.210 -22.826 0.661 408 2HE LYS 51 HE1 LYS 51 -10.371 -23.327 2.128 409 1HZ LYS 51 HZ1 LYS 51 -10.778 -20.470 1.806 410 2HZ LYS 51 HZ3 LYS 51 -12.180 -21.385 2.068 411 3HZ LYS 51 HZ2 LYS 51 -10.911 -21.439 3.195 412 H ARG 52 HN ARG 52 -10.075 -18.096 -3.152 413 HA ARG 52 HA ARG 52 -10.074 -15.862 -1.188 414 1HB ARG 52 HB2 ARG 52 -11.324 -14.642 -2.990 415 2HB ARG 52 HB1 ARG 52 -9.727 -15.190 -3.500 416 1HG ARG 52 HG2 ARG 52 -10.716 -17.146 -4.595 417 2HG ARG 52 HG1 ARG 52 -12.319 -16.669 -4.037 418 1HD ARG 52 HD2 ARG 52 -12.243 -14.640 -5.361 419 2HD ARG 52 HD1 ARG 52 -10.566 -14.947 -5.810 420 HE ARG 52 HE ARG 52 -11.358 -16.401 -7.478 421 1HH1 ARG 52 HH21 ARG 52 -13.761 -15.963 -5.008 422 2HH1 ARG 52 HH22 ARG 52 -14.961 -16.891 -5.846 423 1HH2 ARG 52 HH11 ARG 52 -12.923 -17.601 -8.555 424 2HH2 ARG 52 HH12 ARG 52 -14.489 -17.812 -7.843 425 HA PRO 53 HA PRO 53 -11.513 -14.023 -1.103 426 1HB PRO 53 HB2 PRO 53 -13.025 -13.127 1.076 427 2HB PRO 53 HB1 PRO 53 -13.406 -12.859 -0.630 428 1HG PRO 53 HG2 PRO 53 -14.813 -14.483 1.259 429 2HG PRO 53 HG1 PRO 53 -15.201 -14.195 -0.442 430 1HD PRO 53 HD2 PRO 53 -13.953 -16.536 0.790 431 2HD PRO 53 HD1 PRO 53 -14.659 -16.362 -0.825 432 H LEU 54 HN LEU 54 -10.063 -13.033 0.438 433 HA LEU 54 HA LEU 54 -8.814 -14.911 2.257 434 1HB LEU 54 HB2 LEU 54 -8.362 -11.932 1.918 435 2HB LEU 54 HB1 LEU 54 -7.291 -13.045 2.772 436 HG LEU 54 HG LEU 54 -8.055 -13.367 -0.141 437 1HD1 LEU 54 HD11 LEU 54 -5.833 -11.857 1.200 438 2HD1 LEU 54 HD13 LEU 54 -5.524 -12.654 -0.343 439 3HD1 LEU 54 HD12 LEU 54 -6.778 -11.419 -0.224 440 1HD2 LEU 54 HD21 LEU 54 -6.158 -14.725 1.766 441 2HD2 LEU 54 HD23 LEU 54 -7.326 -15.454 0.664 442 3HD2 LEU 54 HD22 LEU 54 -5.841 -14.744 0.031 443 HA PRO 55 HA PRO 55 -11.584 -13.677 5.647 444 1HB PRO 55 HB2 PRO 55 -10.712 -15.773 7.298 445 2HB PRO 55 HB1 PRO 55 -12.112 -15.808 6.218 446 1HG PRO 55 HG2 PRO 55 -9.668 -17.269 5.981 447 2HG PRO 55 HG1 PRO 55 -11.072 -17.301 4.905 448 1HD PRO 55 HD2 PRO 55 -8.504 -15.953 4.539 449 2HD PRO 55 HD1 PRO 55 -9.777 -16.279 3.352 450 H GLU 56 HN GLU 56 -11.079 -13.569 8.182 451 HA GLU 56 HA GLU 56 -9.827 -12.533 9.870 452 1HB GLU 56 HB2 GLU 56 -7.422 -13.477 8.283 453 2HB GLU 56 HB1 GLU 56 -7.462 -13.051 9.994 454 1HG GLU 56 HG2 GLU 56 -9.242 -14.895 10.234 455 2HG GLU 56 HG1 GLU 56 -8.731 -15.429 8.633 456 H ARG 57 HN ARG 57 -10.577 -11.076 7.388 457 HA ARG 57 HA ARG 57 -9.240 -8.606 7.914 458 1HB ARG 57 HB2 ARG 57 -7.976 -8.394 5.771 459 2HB ARG 57 HB1 ARG 57 -7.314 -9.641 6.827 460 1HG ARG 57 HG2 ARG 57 -8.919 -11.239 5.508 461 2HG ARG 57 HG1 ARG 57 -8.903 -9.959 4.294 462 1HD ARG 57 HD2 ARG 57 -7.088 -11.239 3.601 463 2HD ARG 57 HD1 ARG 57 -6.289 -10.073 4.656 464 HE ARG 57 HE ARG 57 -6.902 -12.121 6.383 465 1HH1 ARG 57 HH11 ARG 57 -5.348 -11.971 3.279 466 2HH1 ARG 57 HH12 ARG 57 -4.341 -13.346 3.584 467 1HH2 ARG 57 HH21 ARG 57 -5.589 -13.905 6.767 468 2HH2 ARG 57 HH22 ARG 57 -4.477 -14.435 5.549 469 H THR 58 HN THR 58 -9.850 -6.936 6.201 470 HA THR 58 HA THR 58 -12.622 -7.466 5.340 471 HB THR 58 HB THR 58 -11.119 -4.893 4.885 472 HG1 THR 58 HG1 THR 58 -11.196 -5.996 7.170 473 1HG2 THR 58 HG22 THR 58 -13.474 -5.356 4.008 474 2HG2 THR 58 HG21 THR 58 -13.991 -5.372 5.694 475 3HG2 THR 58 HG23 THR 58 -13.289 -3.911 5.000 476 H ASN 59 HN ASN 59 -12.963 -8.303 3.349 477 HA ASN 59 HA ASN 59 -10.893 -8.001 1.254 478 1HB ASN 59 HB2 ASN 59 -13.485 -9.581 1.279 479 2HB ASN 59 HB1 ASN 59 -12.267 -9.638 0.005 480 1HD2 ASN 59 HD22 ASN 59 -9.844 -11.108 2.448 481 2HD2 ASN 59 HD21 ASN 59 -9.887 -9.693 1.511 482 H VAL 60 HN VAL 60 -11.073 -5.963 0.360 483 HA VAL 60 HA VAL 60 -13.785 -5.080 -0.527 484 HB VAL 60 HB VAL 60 -11.259 -3.423 -0.256 485 1HG1 VAL 60 HG11 VAL 60 -13.058 -2.645 -1.853 486 2HG1 VAL 60 HG13 VAL 60 -14.157 -2.566 -0.477 487 3HG1 VAL 60 HG12 VAL 60 -12.731 -1.530 -0.527 488 1HG2 VAL 60 HG23 VAL 60 -12.017 -4.290 1.932 489 2HG2 VAL 60 HG22 VAL 60 -12.300 -2.554 1.809 490 3HG2 VAL 60 HG21 VAL 60 -13.641 -3.682 1.609 491 H VAL 61 HN VAL 61 -14.098 -4.509 -2.704 492 HA VAL 61 HA VAL 61 -11.797 -4.942 -4.555 493 HB VAL 61 HB VAL 61 -14.596 -6.021 -5.004 494 1HG1 VAL 61 HG12 VAL 61 -13.310 -5.428 -7.045 495 2HG1 VAL 61 HG11 VAL 61 -11.991 -6.462 -6.495 496 3HG1 VAL 61 HG13 VAL 61 -13.553 -7.170 -6.905 497 1HG2 VAL 61 HG21 VAL 61 -12.037 -7.437 -4.191 498 2HG2 VAL 61 HG23 VAL 61 -13.482 -7.254 -3.198 499 3HG2 VAL 61 HG22 VAL 61 -13.535 -8.246 -4.655 500 H LEU 62 HN LEU 62 -11.556 -3.067 -5.653 501 HA LEU 62 HA LEU 62 -13.913 -1.308 -6.065 502 1HB LEU 62 HB2 LEU 62 -11.740 -0.403 -5.140 503 2HB LEU 62 HB1 LEU 62 -11.007 -0.740 -6.708 504 HG LEU 62 HG LEU 62 -12.921 0.648 -7.716 505 1HD1 LEU 62 HD12 LEU 62 -13.261 1.139 -4.771 506 2HD1 LEU 62 HD11 LEU 62 -13.633 2.428 -5.916 507 3HD1 LEU 62 HD13 LEU 62 -14.495 0.892 -6.007 508 1HD2 LEU 62 HD21 LEU 62 -10.506 1.377 -7.373 509 2HD2 LEU 62 HD23 LEU 62 -11.683 2.688 -7.432 510 3HD2 LEU 62 HD22 LEU 62 -11.037 2.153 -5.881 511 H THR 63 HN THR 63 -14.982 -1.473 -7.964 512 HA THR 63 HA THR 63 -13.420 -2.018 -10.443 513 HB THR 63 HB THR 63 -14.358 -4.174 -9.810 514 HG1 THR 63 HG1 THR 63 -14.841 -2.938 -12.029 515 1HG2 THR 63 HG21 THR 63 -16.769 -2.495 -9.276 516 2HG2 THR 63 HG23 THR 63 -17.020 -4.152 -9.828 517 3HG2 THR 63 HG22 THR 63 -16.112 -3.843 -8.348 518 H HIS 64 HN HIS 64 -14.434 -1.171 -12.358 519 HA HIS 64 HA HIS 64 -16.282 1.073 -11.780 520 1HB HIS 64 HB2 HIS 64 -14.139 1.286 -13.193 521 2HB HIS 64 HB1 HIS 64 -15.025 0.420 -14.449 522 HD1 HIS 64 HD1 HIS 64 -15.857 2.100 -16.088 523 HD2 HIS 64 HD2 HIS 64 -16.232 3.474 -12.171 524 HE1 HIS 64 HE1 HIS 64 -17.014 4.349 -16.225 525 H GLN 65 HN GLN 65 -16.098 -1.902 -13.694 526 HA GLN 65 HA GLN 65 -18.646 -1.512 -15.020 527 1HB GLN 65 HB2 GLN 65 -16.956 -3.987 -14.554 528 2HB GLN 65 HB1 GLN 65 -18.419 -3.968 -15.541 529 1HG GLN 65 HG2 GLN 65 -17.457 -2.441 -17.107 530 2HG GLN 65 HG1 GLN 65 -16.104 -2.085 -16.033 531 1HE2 GLN 65 HE22 GLN 65 -16.107 -5.821 -17.773 532 2HE2 GLN 65 HE21 GLN 65 -17.582 -5.149 -17.267 533 H GLU 66 HN GLU 66 -20.668 -2.025 -14.284 534 HA GLU 66 HA GLU 66 -20.924 -2.943 -11.491 535 1HB GLU 66 HB2 GLU 66 -22.831 -1.812 -13.536 536 2HB GLU 66 HB1 GLU 66 -23.430 -2.562 -12.056 537 1HG GLU 66 HG2 GLU 66 -23.224 -0.309 -11.435 538 2HG GLU 66 HG1 GLU 66 -21.708 -1.005 -10.861 539 H ASP 67 HN ASP 67 -20.016 -4.805 -13.621 540 HA ASP 67 HA ASP 67 -22.314 -6.700 -13.747 541 1HB ASP 67 HB2 ASP 67 -19.661 -6.648 -15.218 542 2HB ASP 67 HB1 ASP 67 -20.862 -7.929 -15.385 543 H TYR 68 HN TYR 68 -18.948 -6.416 -12.663 544 HA TYR 68 HA TYR 68 -18.781 -9.133 -11.666 545 1HB TYR 68 HB2 TYR 68 -16.833 -7.559 -12.259 546 2HB TYR 68 HB1 TYR 68 -17.126 -6.797 -10.695 547 HD1 TYR 68 HD1 TYR 68 -16.646 -10.190 -12.223 548 HD2 TYR 68 HD2 TYR 68 -16.084 -7.667 -8.793 549 HE1 TYR 68 HE1 TYR 68 -15.372 -11.999 -11.102 550 HE2 TYR 68 HE2 TYR 68 -14.809 -9.475 -7.672 551 HH TYR 68 HH TYR 68 -14.925 -12.410 -8.212 552 H GLN 69 HN GLN 69 -19.169 -9.882 -9.581 553 HA GLN 69 HA GLN 69 -19.914 -7.968 -7.458 554 1HB GLN 69 HB2 GLN 69 -21.808 -10.013 -8.636 555 2HB GLN 69 HB1 GLN 69 -22.038 -9.322 -7.029 556 1HG GLN 69 HG2 GLN 69 -21.943 -7.034 -8.090 557 2HG GLN 69 HG1 GLN 69 -21.957 -7.830 -9.664 558 1HE2 GLN 69 HE22 GLN 69 -25.407 -7.481 -7.562 559 2HE2 GLN 69 HE21 GLN 69 -23.943 -6.865 -6.964 560 H ALA 70 HN ALA 70 -18.323 -8.710 -6.079 561 HA ALA 70 HA ALA 70 -17.820 -11.578 -5.741 562 1HB ALA 70 HB1 ALA 70 -16.766 -9.175 -4.218 563 2HB ALA 70 HB3 ALA 70 -16.180 -10.828 -4.037 564 3HB ALA 70 HB2 ALA 70 -15.962 -9.978 -5.566 565 H GLN 71 HN GLN 71 -19.194 -12.782 -4.536 566 HA GLN 71 HA GLN 71 -21.000 -11.578 -2.591 567 1HB GLN 71 HB2 GLN 71 -20.430 -14.399 -3.495 568 2HB GLN 71 HB1 GLN 71 -21.474 -14.087 -2.109 569 1HG GLN 71 HG2 GLN 71 -22.756 -12.471 -3.634 570 2HG GLN 71 HG1 GLN 71 -21.872 -13.207 -4.972 571 1HE2 GLN 71 HE22 GLN 71 -23.399 -16.510 -4.115 572 2HE2 GLN 71 HE21 GLN 71 -21.814 -15.908 -4.198 573 H GLY 72 HN GLY 72 -20.724 -11.470 -0.394 574 1HA GLY 72 HA2 GLY 72 -19.785 -11.888 1.735 575 2HA GLY 72 HA1 GLY 72 -18.803 -13.163 1.012 576 H ALA 73 HN ALA 73 -18.932 -9.822 -0.128 577 HA ALA 73 HA ALA 73 -16.397 -9.113 1.163 578 1HB ALA 73 HB1 ALA 73 -15.753 -10.525 -0.840 579 2HB ALA 73 HB3 ALA 73 -16.483 -9.285 -1.861 580 3HB ALA 73 HB2 ALA 73 -15.093 -8.890 -0.851 581 H VAL 74 HN VAL 74 -16.008 -6.859 1.046 582 HA VAL 74 HA VAL 74 -18.339 -5.217 0.543 583 HB VAL 74 HB VAL 74 -15.474 -4.328 0.992 584 1HG1 VAL 74 HG11 VAL 74 -17.179 -2.644 0.157 585 2HG1 VAL 74 HG13 VAL 74 -18.077 -2.925 1.649 586 3HG1 VAL 74 HG12 VAL 74 -16.448 -2.250 1.714 587 1HG2 VAL 74 HG23 VAL 74 -17.688 -5.029 2.943 588 2HG2 VAL 74 HG22 VAL 74 -16.108 -5.802 2.805 589 3HG2 VAL 74 HG21 VAL 74 -16.231 -4.145 3.395 590 H VAL 75 HN VAL 75 -18.874 -5.351 -1.662 591 HA VAL 75 HA VAL 75 -16.796 -4.604 -3.650 592 HB VAL 75 HB VAL 75 -19.665 -5.476 -4.114 593 1HG1 VAL 75 HG11 VAL 75 -18.541 -4.224 -5.963 594 2HG1 VAL 75 HG13 VAL 75 -17.256 -5.433 -5.959 595 3HG1 VAL 75 HG12 VAL 75 -18.901 -5.896 -6.393 596 1HG2 VAL 75 HG21 VAL 75 -18.334 -7.211 -2.932 597 2HG2 VAL 75 HG23 VAL 75 -18.713 -7.695 -4.585 598 3HG2 VAL 75 HG22 VAL 75 -17.101 -7.102 -4.188 599 H VAL 76 HN VAL 76 -16.672 -2.533 -4.343 600 HA VAL 76 HA VAL 76 -19.138 -0.852 -4.273 601 HB VAL 76 HB VAL 76 -17.707 1.062 -3.514 602 1HG1 VAL 76 HG11 VAL 76 -19.077 -0.473 -1.977 603 2HG1 VAL 76 HG13 VAL 76 -17.544 -1.239 -1.561 604 3HG1 VAL 76 HG12 VAL 76 -17.799 0.470 -1.210 605 1HG2 VAL 76 HG23 VAL 76 -15.681 -1.170 -3.170 606 2HG2 VAL 76 HG22 VAL 76 -15.526 0.247 -4.207 607 3HG2 VAL 76 HG21 VAL 76 -15.513 0.433 -2.453 608 H HIS 77 HN HIS 77 -18.620 1.287 -5.554 609 HA HIS 77 HA HIS 77 -16.800 0.726 -7.844 610 1HB HIS 77 HB2 HIS 77 -19.683 1.633 -8.117 611 2HB HIS 77 HB1 HIS 77 -18.539 1.407 -9.440 612 HD1 HIS 77 HD1 HIS 77 -18.361 -0.906 -10.402 613 HD2 HIS 77 HD2 HIS 77 -20.261 -0.905 -6.691 614 HE1 HIS 77 HE1 HIS 77 -19.189 -3.269 -10.020 615 H ASP 78 HN ASP 78 -16.672 2.552 -5.520 616 HA ASP 78 HA ASP 78 -16.137 5.026 -7.025 617 1HB ASP 78 HB2 ASP 78 -18.587 5.006 -6.106 618 2HB ASP 78 HB1 ASP 78 -17.818 5.276 -4.541 619 H VAL 79 HN VAL 79 -14.520 6.258 -6.035 620 HA VAL 79 HA VAL 79 -12.840 4.931 -4.113 621 HB VAL 79 HB VAL 79 -12.825 7.865 -4.883 622 1HG1 VAL 79 HG11 VAL 79 -11.436 6.797 -2.888 623 2HG1 VAL 79 HG13 VAL 79 -10.405 6.234 -4.203 624 3HG1 VAL 79 HG12 VAL 79 -10.689 7.960 -3.982 625 1HG2 VAL 79 HG23 VAL 79 -11.444 5.486 -6.170 626 2HG2 VAL 79 HG22 VAL 79 -12.761 6.419 -6.881 627 3HG2 VAL 79 HG21 VAL 79 -11.189 7.173 -6.613 628 H ALA 80 HN ALA 80 -15.351 7.391 -3.857 629 HA ALA 80 HA ALA 80 -14.795 8.170 -1.142 630 1HB ALA 80 HB1 ALA 80 -16.218 9.506 -2.674 631 2HB ALA 80 HB3 ALA 80 -17.429 8.224 -2.648 632 3HB ALA 80 HB2 ALA 80 -17.061 9.120 -1.174 633 H ALA 81 HN ALA 81 -16.705 5.581 -2.595 634 HA ALA 81 HA ALA 81 -18.072 4.763 -0.206 635 1HB ALA 81 HB3 ALA 81 -18.615 4.064 -2.593 636 2HB ALA 81 HB2 ALA 81 -17.246 2.957 -2.491 637 3HB ALA 81 HB1 ALA 81 -18.622 2.759 -1.405 638 H VAL 82 HN VAL 82 -14.947 3.867 -1.628 639 HA VAL 82 HA VAL 82 -14.343 1.768 0.243 640 HB VAL 82 HB VAL 82 -12.393 3.547 -1.251 641 1HG1 VAL 82 HG11 VAL 82 -11.518 2.055 0.600 642 2HG1 VAL 82 HG13 VAL 82 -12.107 0.675 -0.329 643 3HG1 VAL 82 HG12 VAL 82 -10.849 1.716 -0.997 644 1HG2 VAL 82 HG22 VAL 82 -14.161 2.474 -2.699 645 2HG2 VAL 82 HG21 VAL 82 -12.519 1.939 -3.058 646 3HG2 VAL 82 HG23 VAL 82 -13.600 0.905 -2.123 647 H PHE 83 HN PHE 83 -13.701 5.260 0.222 648 HA PHE 83 HA PHE 83 -12.114 5.239 2.643 649 1HB PHE 83 HB2 PHE 83 -13.444 7.340 0.965 650 2HB PHE 83 HB1 PHE 83 -12.894 7.768 2.586 651 HD1 PHE 83 HD1 PHE 83 -10.453 6.544 3.102 652 HD2 PHE 83 HD2 PHE 83 -11.922 7.876 -0.707 653 HE1 PHE 83 HE1 PHE 83 -8.124 6.726 2.267 654 HE2 PHE 83 HE2 PHE 83 -9.595 8.059 -1.542 655 HZ PHE 83 HZ PHE 83 -7.695 7.483 -0.055 656 H ALA 84 HN ALA 84 -15.540 5.405 1.933 657 HA ALA 84 HA ALA 84 -16.437 6.413 4.463 658 1HB ALA 84 HB3 ALA 84 -17.829 6.205 2.359 659 2HB ALA 84 HB2 ALA 84 -17.914 4.471 2.665 660 3HB ALA 84 HB1 ALA 84 -18.618 5.607 3.818 661 H TYR 85 HN TYR 85 -15.725 3.142 3.292 662 HA TYR 85 HA TYR 85 -16.689 1.779 5.648 663 1HB TYR 85 HB2 TYR 85 -16.249 0.728 3.376 664 2HB TYR 85 HB1 TYR 85 -14.529 0.815 3.756 665 HD1 TYR 85 HD2 TYR 85 -13.591 -0.467 5.663 666 HD2 TYR 85 HD1 TYR 85 -17.698 -0.866 4.466 667 HE1 TYR 85 HE2 TYR 85 -13.774 -2.557 6.986 668 HE2 TYR 85 HE1 TYR 85 -17.881 -2.956 5.789 669 HH TYR 85 HH TYR 85 -16.853 -4.147 7.492 670 H ALA 86 HN ALA 86 -13.549 3.106 4.680 671 HA ALA 86 HA ALA 86 -12.104 2.041 6.955 672 1HB ALA 86 HB3 ALA 86 -10.974 2.752 4.864 673 2HB ALA 86 HB2 ALA 86 -11.447 4.420 5.190 674 3HB ALA 86 HB1 ALA 86 -10.325 3.593 6.271 675 H LYS 87 HN LYS 87 -13.902 5.006 6.309 676 HA LYS 87 HA LYS 87 -13.013 6.461 8.626 677 1HB LYS 87 HB2 LYS 87 -14.285 7.339 6.551 678 2HB LYS 87 HB1 LYS 87 -15.739 6.766 7.369 679 1HG LYS 87 HG2 LYS 87 -15.415 8.231 9.211 680 2HG LYS 87 HG1 LYS 87 -13.746 8.568 8.747 681 1HD LYS 87 HD2 LYS 87 -14.589 9.655 6.661 682 2HD LYS 87 HD1 LYS 87 -16.238 9.411 7.239 683 1HE LYS 87 HE2 LYS 87 -15.898 10.855 9.112 684 2HE LYS 87 HE1 LYS 87 -14.152 10.881 8.862 685 1HZ LYS 87 HZ1 LYS 87 -15.675 11.732 6.572 686 2HZ LYS 87 HZ3 LYS 87 -15.880 12.731 7.929 687 3HZ LYS 87 HZ2 LYS 87 -14.323 12.453 7.307 688 H GLN 88 HN GLN 88 -15.818 4.346 8.028 689 HA GLN 88 HA GLN 88 -16.986 4.654 10.631 690 1HB GLN 88 HB2 GLN 88 -17.999 3.613 8.473 691 2HB GLN 88 HB1 GLN 88 -17.203 2.127 8.998 692 1HG GLN 88 HG2 GLN 88 -18.417 2.123 11.080 693 2HG GLN 88 HG1 GLN 88 -19.059 3.736 10.770 694 1HE2 GLN 88 HE22 GLN 88 -20.826 0.491 9.049 695 2HE2 GLN 88 HE21 GLN 88 -19.402 0.322 9.957 696 H HIS 89 HN HIS 89 -14.392 2.650 9.388 697 HA HIS 89 HA HIS 89 -14.102 1.438 12.111 698 1HB HIS 89 HB2 HIS 89 -13.595 0.309 9.361 699 2HB HIS 89 HB1 HIS 89 -12.775 -0.355 10.774 700 HD1 HIS 89 HD1 HIS 89 -14.003 -2.330 11.646 701 HD2 HIS 89 HD2 HIS 89 -16.623 0.551 10.160 702 HE1 HIS 89 HE1 HIS 89 -16.342 -3.229 12.016 703 HA PRO 90 HA PRO 90 -10.335 4.022 11.512 704 1HB PRO 90 HB2 PRO 90 -10.326 4.814 14.200 705 2HB PRO 90 HB1 PRO 90 -10.982 5.742 12.845 706 1HG PRO 90 HG2 PRO 90 -12.408 4.509 14.998 707 2HG PRO 90 HG1 PRO 90 -13.057 5.456 13.653 708 1HD PRO 90 HD2 PRO 90 -13.059 2.558 14.029 709 2HD PRO 90 HD1 PRO 90 -13.980 3.538 12.876 710 H ASP 91 HN ASP 91 -11.217 1.480 13.703 711 HA ASP 91 HA ASP 91 -8.733 1.125 15.076 712 1HB ASP 91 HB2 ASP 91 -10.984 0.008 15.579 713 2HB ASP 91 HB1 ASP 91 -10.603 -1.113 14.273 714 H GLN 92 HN GLN 92 -9.804 0.252 11.858 715 HA GLN 92 HA GLN 92 -7.267 -1.256 11.415 716 1HB GLN 92 HB2 GLN 92 -9.875 -1.170 9.876 717 2HB GLN 92 HB1 GLN 92 -8.424 -1.972 9.272 718 1HG GLN 92 HG2 GLN 92 -8.373 -3.388 11.304 719 2HG GLN 92 HG1 GLN 92 -9.847 -2.606 11.874 720 1HE2 GLN 92 HE22 GLN 92 -11.976 -4.382 9.646 721 2HE2 GLN 92 HE21 GLN 92 -11.860 -3.062 10.705 722 H GLU 93 HN GLU 93 -6.235 -0.853 9.231 723 HA GLU 93 HA GLU 93 -6.519 2.023 8.449 724 1HB GLU 93 HB2 GLU 93 -4.051 0.317 8.802 725 2HB GLU 93 HB1 GLU 93 -4.029 1.784 7.824 726 1HG GLU 93 HG2 GLU 93 -4.612 3.155 9.688 727 2HG GLU 93 HG1 GLU 93 -5.052 1.756 10.669 728 H LEU 94 HN LEU 94 -6.482 2.461 6.229 729 HA LEU 94 HA LEU 94 -7.289 0.346 4.453 730 1HB LEU 94 HB2 LEU 94 -7.586 3.008 4.361 731 2HB LEU 94 HB1 LEU 94 -6.152 2.873 3.342 732 HG LEU 94 HG LEU 94 -8.597 1.150 2.909 733 1HD1 LEU 94 HD11 LEU 94 -8.019 3.965 2.051 734 2HD1 LEU 94 HD13 LEU 94 -8.856 2.891 0.930 735 3HD1 LEU 94 HD12 LEU 94 -9.555 3.230 2.512 736 1HD2 LEU 94 HD21 LEU 94 -6.042 1.762 1.462 737 2HD2 LEU 94 HD23 LEU 94 -6.847 0.211 1.695 738 3HD2 LEU 94 HD22 LEU 94 -7.474 1.361 0.515 739 H VAL 95 HN VAL 95 -6.060 -0.959 3.162 740 HA VAL 95 HA VAL 95 -3.187 -0.259 2.762 741 HB VAL 95 HB VAL 95 -4.196 -3.026 3.484 742 1HG1 VAL 95 HG11 VAL 95 -2.132 -2.831 2.040 743 2HG1 VAL 95 HG13 VAL 95 -1.372 -1.931 3.352 744 3HG1 VAL 95 HG12 VAL 95 -1.853 -3.611 3.597 745 1HG2 VAL 95 HG23 VAL 95 -2.767 -0.927 5.146 746 2HG2 VAL 95 HG22 VAL 95 -4.388 -1.565 5.425 747 3HG2 VAL 95 HG21 VAL 95 -2.980 -2.607 5.638 748 H ILE 96 HN ILE 96 -2.801 -0.230 0.611 749 HA ILE 96 HA ILE 96 -4.617 -1.723 -1.203 750 HB ILE 96 HB ILE 96 -2.430 0.257 -1.901 751 1HG1 ILE 96 HG12 ILE 96 -4.133 1.310 -0.453 752 2HG1 ILE 96 HG11 ILE 96 -4.251 1.917 -2.102 753 1HG2 ILE 96 HG21 ILE 96 -3.150 -1.244 -3.730 754 2HG2 ILE 96 HG23 ILE 96 -4.825 -0.758 -3.464 755 3HG2 ILE 96 HG22 ILE 96 -3.643 0.421 -4.034 756 1HD1 ILE 96 HD13 ILE 96 -6.078 0.251 -2.528 757 2HD1 ILE 96 HD12 ILE 96 -6.013 -0.194 -0.822 758 3HD1 ILE 96 HD11 ILE 96 -6.493 1.437 -1.290 759 H ALA 97 HN ALA 97 -3.882 -3.380 -2.527 760 HA ALA 97 HA ALA 97 -1.051 -4.247 -2.090 761 1HB ALA 97 HB3 ALA 97 -3.631 -5.746 -2.297 762 2HB ALA 97 HB2 ALA 97 -2.175 -6.515 -2.928 763 3HB ALA 97 HB1 ALA 97 -2.252 -6.030 -1.235 764 H GLY 98 HN GLY 98 -3.647 -3.843 -4.462 765 1HA GLY 98 HA2 GLY 98 -2.138 -3.006 -6.614 766 2HA GLY 98 HA1 GLY 98 -2.021 -4.764 -6.703 767 H GLY 99 HN GLY 99 -4.981 -3.977 -8.760 768 1HA GLY 99 HA2 GLY 99 -2.052 -4.319 -8.754 769 2HA GLY 99 HA1 GLY 99 -3.085 -4.222 -10.181 770 H ALA 100 HN ALA 100 -1.595 -2.654 -11.090 771 HA ALA 100 HA ALA 100 -0.899 -0.191 -9.820 772 1HB ALA 100 HB2 ALA 100 -1.024 -1.115 -12.681 773 2HB ALA 100 HB1 ALA 100 -0.679 0.574 -12.311 774 3HB ALA 100 HB3 ALA 100 0.390 -0.696 -11.714 775 H GLN 101 HN GLN 101 -3.820 -1.265 -11.367 776 HA GLN 101 HA GLN 101 -4.916 1.339 -11.964 777 1HB GLN 101 HB2 GLN 101 -6.143 -1.398 -11.585 778 2HB GLN 101 HB1 GLN 101 -7.122 0.027 -11.934 779 1HG GLN 101 HG2 GLN 101 -6.692 -0.851 -14.074 780 2HG GLN 101 HG1 GLN 101 -5.464 0.405 -13.904 781 1HE2 GLN 101 HE22 GLN 101 -2.873 -1.912 -14.401 782 2HE2 GLN 101 HE21 GLN 101 -3.448 -0.324 -14.574 783 H ILE 102 HN ILE 102 -5.081 -0.822 -9.155 784 HA ILE 102 HA ILE 102 -6.985 0.806 -7.700 785 HB ILE 102 HB ILE 102 -4.980 -1.182 -6.596 786 1HG1 ILE 102 HG12 ILE 102 -6.338 -2.197 -8.393 787 2HG1 ILE 102 HG11 ILE 102 -6.796 -2.845 -6.821 788 1HG2 ILE 102 HG22 ILE 102 -7.629 -0.139 -5.548 789 2HG2 ILE 102 HG21 ILE 102 -6.673 -1.413 -4.793 790 3HG2 ILE 102 HG23 ILE 102 -6.033 0.227 -4.892 791 1HD1 ILE 102 HD11 ILE 102 -8.706 -1.269 -6.733 792 2HD1 ILE 102 HD13 ILE 102 -8.256 -0.646 -8.319 793 3HD1 ILE 102 HD12 ILE 102 -8.800 -2.315 -8.149 794 H PHE 103 HN PHE 103 -3.441 0.581 -7.770 795 HA PHE 103 HA PHE 103 -2.928 2.352 -5.583 796 1HB PHE 103 HB2 PHE 103 -1.314 1.662 -8.051 797 2HB PHE 103 HB1 PHE 103 -0.701 2.702 -6.766 798 HD1 PHE 103 HD1 PHE 103 -1.530 1.554 -4.298 799 HD2 PHE 103 HD2 PHE 103 -0.387 -0.468 -7.911 800 HE1 PHE 103 HE1 PHE 103 -0.901 -0.449 -2.979 801 HE2 PHE 103 HE2 PHE 103 0.241 -2.472 -6.592 802 HZ PHE 103 HZ PHE 103 -0.017 -2.462 -4.125 803 H THR 104 HN THR 104 -3.368 2.945 -9.065 804 HA THR 104 HA THR 104 -2.880 5.793 -8.885 805 HB THR 104 HB THR 104 -4.310 5.610 -11.143 806 HG1 THR 104 HG1 THR 104 -4.578 3.258 -10.331 807 1HG2 THR 104 HG23 THR 104 -1.486 4.748 -10.557 808 2HG2 THR 104 HG22 THR 104 -2.106 4.741 -12.208 809 3HG2 THR 104 HG21 THR 104 -2.051 6.248 -11.293 810 H ALA 105 HN ALA 105 -5.580 3.771 -8.156 811 HA ALA 105 HA ALA 105 -7.621 5.829 -8.498 812 1HB ALA 105 HB3 ALA 105 -7.607 3.130 -7.125 813 2HB ALA 105 HB2 ALA 105 -9.025 4.176 -7.166 814 3HB ALA 105 HB1 ALA 105 -8.349 3.548 -8.668 815 H PHE 106 HN PHE 106 -5.439 4.821 -5.968 816 HA PHE 106 HA PHE 106 -6.692 6.852 -4.160 817 1HB PHE 106 HB2 PHE 106 -5.448 4.175 -3.486 818 2HB PHE 106 HB1 PHE 106 -5.755 5.420 -2.275 819 HD1 PHE 106 HD2 PHE 106 -8.059 6.114 -1.731 820 HD2 PHE 106 HD1 PHE 106 -7.265 2.951 -4.528 821 HE1 PHE 106 HE2 PHE 106 -10.427 5.388 -1.583 822 HE2 PHE 106 HE1 PHE 106 -9.631 2.225 -4.380 823 HZ PHE 106 HZ PHE 106 -11.212 3.443 -2.906 824 H LYS 107 HN LYS 107 -4.341 6.822 -6.171 825 HA LYS 107 HA LYS 107 -1.897 7.048 -4.699 826 1HB LYS 107 HB2 LYS 107 -1.100 8.345 -6.689 827 2HB LYS 107 HB1 LYS 107 -1.874 6.820 -7.125 828 1HG LYS 107 HG2 LYS 107 -3.993 8.031 -7.555 829 2HG LYS 107 HG1 LYS 107 -3.190 9.552 -7.164 830 1HD LYS 107 HD2 LYS 107 -1.550 9.108 -8.998 831 2HD LYS 107 HD1 LYS 107 -2.477 7.671 -9.432 832 1HE LYS 107 HE2 LYS 107 -4.441 9.022 -9.916 833 2HE LYS 107 HE1 LYS 107 -3.625 10.476 -9.341 834 1HZ LYS 107 HZ3 LYS 107 -1.886 9.573 -11.158 835 2HZ LYS 107 HZ2 LYS 107 -3.351 9.071 -11.856 836 3HZ LYS 107 HZ1 LYS 107 -3.098 10.711 -11.492 837 H ASP 108 HN ASP 108 -4.532 9.296 -5.281 838 HA ASP 108 HA ASP 108 -3.047 11.618 -4.294 839 1HB ASP 108 HB2 ASP 108 -5.061 11.569 -5.955 840 2HB ASP 108 HB1 ASP 108 -6.047 11.473 -4.495 841 H ASP 109 HN ASP 109 -3.394 9.167 -2.565 842 HA ASP 109 HA ASP 109 -4.065 10.598 -0.105 843 1HB ASP 109 HB2 ASP 109 -5.881 8.515 -1.279 844 2HB ASP 109 HB1 ASP 109 -5.712 8.620 0.473 845 H VAL 110 HN VAL 110 -1.745 9.234 -1.227 846 HA VAL 110 HA VAL 110 -1.523 6.745 0.356 847 HB VAL 110 HB VAL 110 -0.625 6.778 -1.943 848 1HG1 VAL 110 HG13 VAL 110 1.219 8.929 -0.863 849 2HG1 VAL 110 HG12 VAL 110 1.376 8.160 -2.442 850 3HG1 VAL 110 HG11 VAL 110 -0.037 9.152 -2.080 851 1HG2 VAL 110 HG21 VAL 110 0.523 5.601 0.151 852 2HG2 VAL 110 HG23 VAL 110 1.284 5.563 -1.440 853 3HG2 VAL 110 HG22 VAL 110 1.829 6.723 -0.228 854 H ASP 111 HN ASP 111 0.069 6.487 2.011 855 HA ASP 111 HA ASP 111 1.288 9.014 3.036 856 1HB ASP 111 HB2 ASP 111 -0.129 6.898 4.688 857 2HB ASP 111 HB1 ASP 111 0.724 8.299 5.338 858 H THR 112 HN THR 112 1.219 5.485 3.665 859 HA THR 112 HA THR 112 4.169 5.586 4.081 860 HB THR 112 HB THR 112 2.405 3.196 4.610 861 HG1 THR 112 HG1 THR 112 2.120 4.024 6.692 862 1HG2 THR 112 HG22 THR 112 5.098 4.196 5.502 863 2HG2 THR 112 HG21 THR 112 4.208 3.031 6.482 864 3HG2 THR 112 HG23 THR 112 4.670 2.624 4.830 865 H LEU 113 HN LEU 113 5.278 5.190 2.228 866 HA LEU 113 HA LEU 113 4.091 3.425 0.163 867 1HB LEU 113 HB2 LEU 113 6.443 5.321 0.198 868 2HB LEU 113 HB1 LEU 113 6.181 4.190 -1.130 869 HG LEU 113 HG LEU 113 3.965 6.005 -0.191 870 1HD1 LEU 113 HD11 LEU 113 6.312 6.639 -1.969 871 2HD1 LEU 113 HD13 LEU 113 4.750 7.411 -2.248 872 3HD1 LEU 113 HD12 LEU 113 5.580 7.631 -0.707 873 1HD2 LEU 113 HD22 LEU 113 3.468 4.088 -1.702 874 2HD2 LEU 113 HD21 LEU 113 3.164 5.640 -2.482 875 3HD2 LEU 113 HD23 LEU 113 4.625 4.731 -2.867 876 H LEU 114 HN LEU 114 4.412 1.318 0.864 877 HA LEU 114 HA LEU 114 7.155 0.527 1.715 878 1HB LEU 114 HB2 LEU 114 4.507 -0.947 1.847 879 2HB LEU 114 HB1 LEU 114 6.048 -1.610 2.392 880 HG LEU 114 HG LEU 114 5.115 1.053 3.428 881 1HD1 LEU 114 HD11 LEU 114 3.255 -0.593 3.742 882 2HD1 LEU 114 HD13 LEU 114 4.377 -1.642 4.609 883 3HD1 LEU 114 HD12 LEU 114 3.964 -0.057 5.266 884 1HD2 LEU 114 HD23 LEU 114 6.974 -1.156 4.302 885 2HD2 LEU 114 HD22 LEU 114 7.333 0.554 4.067 886 3HD2 LEU 114 HD21 LEU 114 6.380 0.035 5.458 887 H VAL 115 HN VAL 115 8.352 0.147 -0.117 888 HA VAL 115 HA VAL 115 7.112 -1.547 -2.245 889 HB VAL 115 HB VAL 115 7.817 0.694 -3.007 890 1HG1 VAL 115 HG12 VAL 115 9.623 1.001 -1.314 891 2HG1 VAL 115 HG11 VAL 115 10.604 -0.176 -2.186 892 3HG1 VAL 115 HG13 VAL 115 10.165 1.350 -2.955 893 1HG2 VAL 115 HG22 VAL 115 8.002 -1.282 -4.528 894 2HG2 VAL 115 HG21 VAL 115 9.181 -0.023 -4.899 895 3HG2 VAL 115 HG23 VAL 115 9.682 -1.472 -4.026 896 H THR 116 HN THR 116 8.213 -3.400 -2.922 897 HA THR 116 HA THR 116 10.566 -4.182 -1.247 898 HB THR 116 HB THR 116 8.652 -6.050 -2.670 899 HG1 THR 116 HG1 THR 116 8.054 -4.531 -0.696 900 1HG2 THR 116 HG22 THR 116 10.931 -6.890 -2.052 901 2HG2 THR 116 HG21 THR 116 10.569 -6.507 -0.369 902 3HG2 THR 116 HG23 THR 116 9.626 -7.731 -1.218 903 H ARG 117 HN ARG 117 12.271 -3.582 -2.573 904 HA ARG 117 HA ARG 117 12.193 -4.123 -5.459 905 1HB ARG 117 HB2 ARG 117 14.493 -3.160 -3.730 906 2HB ARG 117 HB1 ARG 117 14.415 -3.103 -5.491 907 1HG ARG 117 HG2 ARG 117 12.329 -1.680 -5.250 908 2HG ARG 117 HG1 ARG 117 12.688 -1.579 -3.526 909 1HD ARG 117 HD2 ARG 117 13.622 0.374 -4.644 910 2HD ARG 117 HD1 ARG 117 14.942 -0.659 -4.093 911 HE ARG 117 HE ARG 117 14.101 -1.193 -6.845 912 1HH1 ARG 117 HH21 ARG 117 16.145 0.666 -4.740 913 2HH1 ARG 117 HH22 ARG 117 17.307 1.009 -5.976 914 1HH2 ARG 117 HH11 ARG 117 15.617 -0.741 -8.441 915 2HH2 ARG 117 HH12 ARG 117 17.010 0.216 -8.061 916 H LEU 118 HN LEU 118 13.338 -5.750 -6.515 917 HA LEU 118 HA LEU 118 14.652 -7.778 -4.749 918 1HB LEU 118 HB2 LEU 118 12.619 -8.016 -6.853 919 2HB LEU 118 HB1 LEU 118 13.991 -9.094 -7.110 920 HG LEU 118 HG LEU 118 13.736 -9.773 -4.657 921 1HD1 LEU 118 HD11 LEU 118 11.092 -8.348 -5.083 922 2HD1 LEU 118 HD13 LEU 118 11.454 -9.406 -3.719 923 3HD1 LEU 118 HD12 LEU 118 12.347 -7.898 -3.928 924 1HD2 LEU 118 HD23 LEU 118 11.547 -10.355 -6.675 925 2HD2 LEU 118 HD22 LEU 118 13.034 -11.272 -6.430 926 3HD2 LEU 118 HD21 LEU 118 11.781 -11.275 -5.188 927 H ALA 119 HN ALA 119 16.755 -8.243 -5.219 928 HA ALA 119 HA ALA 119 18.231 -6.685 -7.114 929 1HB ALA 119 HB3 ALA 119 19.262 -7.704 -5.109 930 2HB ALA 119 HB2 ALA 119 18.994 -9.308 -5.791 931 3HB ALA 119 HB1 ALA 119 20.109 -8.191 -6.578 932 H GLY 120 HN GLY 120 16.744 -9.880 -7.286 933 1HA GLY 120 HA2 GLY 120 17.987 -10.615 -9.804 934 2HA GLY 120 HA1 GLY 120 16.600 -11.417 -9.067 935 H SER 121 HN SER 121 17.430 -9.870 -11.788 936 HA SER 121 HA SER 121 15.183 -8.041 -12.109 937 1HB SER 121 HB2 SER 121 15.915 -8.092 -14.538 938 2HB SER 121 HB1 SER 121 17.161 -7.591 -13.400 939 HG SER 121 HG SER 121 16.883 -10.311 -14.017 940 H PHE 122 HN PHE 122 13.242 -8.446 -13.189 941 HA PHE 122 HA PHE 122 12.791 -11.119 -14.379 942 1HB PHE 122 HB2 PHE 122 11.171 -10.016 -12.064 943 2HB PHE 122 HB1 PHE 122 10.714 -11.424 -13.023 944 HD1 PHE 122 HD2 PHE 122 12.320 -13.405 -13.127 945 HD2 PHE 122 HD1 PHE 122 12.731 -10.206 -10.290 946 HE1 PHE 122 HE2 PHE 122 13.776 -14.838 -11.722 947 HE2 PHE 122 HE1 PHE 122 14.188 -11.640 -8.885 948 HZ PHE 122 HZ PHE 122 14.710 -13.956 -9.601 949 H GLU 123 HN GLU 123 12.088 -10.483 -16.367 950 HA GLU 123 HA GLU 123 10.548 -8.022 -16.736 951 1HB GLU 123 HB2 GLU 123 12.247 -9.025 -18.386 952 2HB GLU 123 HB1 GLU 123 10.985 -10.186 -18.801 953 1HG GLU 123 HG2 GLU 123 9.491 -8.422 -19.495 954 2HG GLU 123 HG1 GLU 123 10.588 -7.184 -18.884 955 H GLY 124 HN GLY 124 8.369 -7.960 -17.567 956 1HA GLY 124 HA2 GLY 124 6.804 -10.464 -17.551 957 2HA GLY 124 HA1 GLY 124 6.363 -9.269 -16.330 958 H ASP 125 HN ASP 125 4.590 -8.174 -16.993 959 HA ASP 125 HA ASP 125 4.568 -7.073 -19.761 960 1HB ASP 125 HB2 ASP 125 2.459 -8.775 -18.448 961 2HB ASP 125 HB1 ASP 125 2.005 -7.579 -19.664 962 H THR 126 HN THR 126 2.962 -7.062 -16.570 963 HA THR 126 HA THR 126 2.018 -4.305 -16.986 964 HB THR 126 HB THR 126 1.917 -5.809 -14.374 965 HG1 THR 126 HG1 THR 126 -0.066 -6.674 -15.172 966 1HG2 THR 126 HG23 THR 126 1.181 -3.352 -14.749 967 2HG2 THR 126 HG22 THR 126 -0.182 -4.049 -15.627 968 3HG2 THR 126 HG21 THR 126 0.059 -4.435 -13.923 969 H LYS 127 HN LYS 127 2.919 -2.486 -16.039 970 HA LYS 127 HA LYS 127 5.451 -2.915 -14.501 971 1HB LYS 127 HB2 LYS 127 4.659 -0.784 -16.494 972 2HB LYS 127 HB1 LYS 127 6.010 -0.566 -15.381 973 1HG LYS 127 HG2 LYS 127 6.857 -2.842 -16.247 974 2HG LYS 127 HG1 LYS 127 5.700 -2.629 -17.561 975 1HD LYS 127 HD2 LYS 127 6.745 -0.393 -18.034 976 2HD LYS 127 HD1 LYS 127 7.980 -0.770 -16.832 977 1HE LYS 127 HE2 LYS 127 8.864 -1.372 -18.998 978 2HE LYS 127 HE1 LYS 127 8.494 -2.867 -18.138 979 1HZ LYS 127 HZ3 LYS 127 6.230 -2.659 -19.300 980 2HZ LYS 127 HZ2 LYS 127 7.029 -1.597 -20.357 981 3HZ LYS 127 HZ1 LYS 127 7.556 -3.205 -20.204 982 H MET 128 HN MET 128 5.915 -1.205 -12.883 983 HA MET 128 HA MET 128 3.536 -0.577 -11.321 984 1HB MET 128 HB2 MET 128 6.085 -1.070 -10.615 985 2HB MET 128 HB1 MET 128 6.151 0.692 -10.665 986 1HG MET 128 HG2 MET 128 3.867 -0.655 -9.257 987 2HG MET 128 HG1 MET 128 5.425 -0.516 -8.443 988 1HE MET 128 HE2 MET 128 2.256 0.665 -8.472 989 2HE MET 128 HE1 MET 128 3.107 0.888 -6.945 990 3HE MET 128 HE3 MET 128 2.364 2.272 -7.759 991 H ILE 129 HN ILE 129 2.708 1.511 -10.887 992 HA ILE 129 HA ILE 129 2.888 3.409 -13.061 993 HB ILE 129 HB ILE 129 1.469 4.841 -11.569 994 1HG1 ILE 129 HG12 ILE 129 1.526 2.516 -9.639 995 2HG1 ILE 129 HG11 ILE 129 2.633 3.879 -9.467 996 1HG2 ILE 129 HG22 ILE 129 0.816 1.960 -12.133 997 2HG2 ILE 129 HG21 ILE 129 -0.354 2.974 -11.288 998 3HG2 ILE 129 HG23 ILE 129 0.187 3.414 -12.907 999 1HD1 ILE 129 HD11 ILE 129 0.400 5.289 -9.739 1000 2HD1 ILE 129 HD13 ILE 129 -0.343 3.801 -9.154 1001 3HD1 ILE 129 HD12 ILE 129 0.864 4.628 -8.171 1002 HA PRO 130 HA PRO 130 6.141 6.063 -11.584 1003 1HB PRO 130 HB2 PRO 130 5.142 8.510 -12.507 1004 2HB PRO 130 HB1 PRO 130 6.084 7.351 -13.454 1005 1HG PRO 130 HG2 PRO 130 3.331 8.068 -13.767 1006 2HG PRO 130 HG1 PRO 130 4.285 6.930 -14.729 1007 1HD PRO 130 HD2 PRO 130 2.312 6.372 -12.644 1008 2HD PRO 130 HD1 PRO 130 3.024 5.272 -13.836 1009 H LEU 131 HN LEU 131 6.060 6.179 -9.335 1010 HA LEU 131 HA LEU 131 4.002 7.840 -8.022 1011 1HB LEU 131 HB2 LEU 131 6.305 6.231 -6.875 1012 2HB LEU 131 HB1 LEU 131 5.059 7.041 -5.925 1013 HG LEU 131 HG LEU 131 4.364 5.028 -8.066 1014 1HD1 LEU 131 HD11 LEU 131 5.030 4.573 -5.147 1015 2HD1 LEU 131 HD13 LEU 131 4.099 3.425 -6.110 1016 3HD1 LEU 131 HD12 LEU 131 5.765 3.799 -6.551 1017 1HD2 LEU 131 HD23 LEU 131 2.592 6.554 -7.232 1018 2HD2 LEU 131 HD22 LEU 131 2.275 4.882 -6.771 1019 3HD2 LEU 131 HD21 LEU 131 2.919 6.017 -5.585 1020 H ASN 132 HN ASN 132 4.563 9.660 -6.677 1021 HA ASN 132 HA ASN 132 6.874 11.173 -7.714 1022 1HB ASN 132 HB2 ASN 132 4.502 12.119 -7.306 1023 2HB ASN 132 HB1 ASN 132 4.941 12.117 -5.597 1024 1HD2 ASN 132 HD22 ASN 132 6.195 15.149 -7.851 1025 2HD2 ASN 132 HD21 ASN 132 4.931 14.100 -8.278 1026 H TRP 133 HN TRP 133 8.613 10.000 -6.731 1027 HA TRP 133 HA TRP 133 8.728 9.561 -3.863 1028 1HB TRP 133 HB2 TRP 133 10.914 9.533 -5.966 1029 2HB TRP 133 HB1 TRP 133 11.102 8.969 -4.306 1030 HD1 TRP 133 HD1 TRP 133 9.741 7.968 -7.663 1031 HE1 TRP 133 HE1 TRP 133 8.798 5.572 -7.535 1032 HE3 TRP 133 HE3 TRP 133 9.872 7.237 -2.610 1033 HZ2 TRP 133 HZ2 TRP 133 8.180 3.606 -5.551 1034 HZ3 TRP 133 HZ3 TRP 133 9.100 5.096 -1.630 1035 HH2 TRP 133 HH2 TRP 133 8.255 3.282 -3.091 1036 H ASP 134 HN ASP 134 9.274 12.283 -5.873 1037 HA ASP 134 HA ASP 134 11.275 13.598 -4.229 1038 1HB ASP 134 HB2 ASP 134 10.758 14.107 -6.672 1039 2HB ASP 134 HB1 ASP 134 9.309 14.936 -6.101 1040 H ASP 135 HN ASP 135 8.355 12.671 -3.286 1041 HA ASP 135 HA ASP 135 7.968 15.081 -1.569 1042 1HB ASP 135 HB2 ASP 135 6.274 14.909 -3.485 1043 2HB ASP 135 HB1 ASP 135 5.664 13.465 -2.676 1044 H PHE 136 HN PHE 136 9.287 12.467 -1.119 1045 HA PHE 136 HA PHE 136 7.685 11.650 1.253 1046 1HB PHE 136 HB2 PHE 136 8.755 9.821 -0.906 1047 2HB PHE 136 HB1 PHE 136 8.343 9.239 0.707 1048 HD1 PHE 136 HD2 PHE 136 5.971 9.790 1.595 1049 HD2 PHE 136 HD1 PHE 136 7.085 10.056 -2.544 1050 HE1 PHE 136 HE2 PHE 136 3.580 9.683 0.945 1051 HE2 PHE 136 HE1 PHE 136 4.694 9.949 -3.195 1052 HZ PHE 136 HZ PHE 136 2.942 9.762 -1.450 1053 H THR 137 HN THR 137 9.193 9.949 2.519 1054 HA THR 137 HA THR 137 12.056 10.640 2.299 1055 HB THR 137 HB THR 137 10.639 11.069 4.935 1056 HG1 THR 137 HG1 THR 137 10.603 13.243 4.427 1057 1HG2 THR 137 HG23 THR 137 13.155 10.662 4.752 1058 2HG2 THR 137 HG22 THR 137 13.243 12.211 3.911 1059 3HG2 THR 137 HG21 THR 137 12.668 12.143 5.577 1060 H LYS 138 HN LYS 138 13.296 8.909 2.909 1061 HA LYS 138 HA LYS 138 11.952 6.443 3.710 1062 1HB LYS 138 HB2 LYS 138 14.022 6.721 2.152 1063 2HB LYS 138 HB1 LYS 138 14.940 6.827 3.655 1064 1HG LYS 138 HG2 LYS 138 13.792 4.662 4.361 1065 2HG LYS 138 HG1 LYS 138 13.222 4.529 2.697 1066 1HD LYS 138 HD2 LYS 138 16.144 4.968 3.292 1067 2HD LYS 138 HD1 LYS 138 15.450 3.346 3.321 1068 1HE LYS 138 HE2 LYS 138 14.506 3.872 0.998 1069 2HE LYS 138 HE1 LYS 138 15.579 5.271 0.994 1070 1HZ LYS 138 HZ3 LYS 138 17.212 3.284 1.791 1071 2HZ LYS 138 HZ2 LYS 138 16.200 2.473 0.694 1072 3HZ LYS 138 HZ1 LYS 138 17.076 3.840 0.195 1073 H VAL 139 HN VAL 139 11.489 5.995 5.799 1074 HA VAL 139 HA VAL 139 12.990 7.384 7.949 1075 HB VAL 139 HB VAL 139 11.200 6.432 9.425 1076 1HG1 VAL 139 HG11 VAL 139 10.988 8.671 8.346 1077 2HG1 VAL 139 HG13 VAL 139 10.160 7.907 6.987 1078 3HG1 VAL 139 HG12 VAL 139 9.425 7.890 8.591 1079 1HG2 VAL 139 HG21 VAL 139 10.102 5.443 6.773 1080 2HG2 VAL 139 HG23 VAL 139 10.704 4.427 8.082 1081 3HG2 VAL 139 HG22 VAL 139 9.244 5.388 8.312 1082 H SER 140 HN SER 140 12.361 4.158 6.671 1083 HA SER 140 HA SER 140 14.716 3.129 8.085 1084 1HB SER 140 HB2 SER 140 12.107 1.695 8.562 1085 2HB SER 140 HB1 SER 140 13.639 1.494 9.407 1086 HG SER 140 HG SER 140 12.643 2.804 10.760 1087 H SER 141 HN SER 141 14.903 0.658 7.521 1088 HA SER 141 HA SER 141 13.536 -0.201 5.088 1089 1HB SER 141 HB2 SER 141 15.363 1.466 4.360 1090 2HB SER 141 HB1 SER 141 16.517 0.237 4.869 1091 HG SER 141 HG SER 141 14.368 -0.250 3.081 1092 H ARG 142 HN ARG 142 13.340 -2.363 5.347 1093 HA ARG 142 HA ARG 142 15.237 -3.773 7.143 1094 1HB ARG 142 HB2 ARG 142 12.691 -3.973 7.352 1095 2HB ARG 142 HB1 ARG 142 12.747 -4.917 5.862 1096 1HG ARG 142 HG2 ARG 142 12.878 -6.552 7.561 1097 2HG ARG 142 HG1 ARG 142 14.556 -6.329 7.066 1098 1HD ARG 142 HD2 ARG 142 15.069 -5.025 8.968 1099 2HD ARG 142 HD1 ARG 142 13.369 -4.718 9.323 1100 HE ARG 142 HE ARG 142 14.032 -7.548 9.448 1101 1HH1 ARG 142 HH11 ARG 142 14.064 -4.525 11.159 1102 2HH1 ARG 142 HH12 ARG 142 14.030 -5.272 12.721 1103 1HH2 ARG 142 HH21 ARG 142 13.989 -8.507 11.481 1104 2HH2 ARG 142 HH22 ARG 142 13.989 -7.516 12.902 1105 H THR 143 HN THR 143 17.027 -4.451 6.041 1106 HA THR 143 HA THR 143 16.787 -5.382 3.247 1107 HB THR 143 HB THR 143 19.307 -5.425 4.905 1108 HG1 THR 143 HG1 THR 143 18.464 -3.369 5.142 1109 1HG2 THR 143 HG23 THR 143 18.628 -5.160 1.972 1110 2HG2 THR 143 HG22 THR 143 20.239 -4.828 2.608 1111 3HG2 THR 143 HG21 THR 143 19.547 -6.443 2.759 1112 H VAL 144 HN VAL 144 17.343 -7.523 2.603 1113 HA VAL 144 HA VAL 144 17.948 -9.535 4.660 1114 HB VAL 144 HB VAL 144 15.492 -9.331 4.815 1115 1HG1 VAL 144 HG13 VAL 144 15.184 -8.509 2.460 1116 2HG1 VAL 144 HG12 VAL 144 15.454 -10.159 1.900 1117 3HG1 VAL 144 HG11 VAL 144 14.061 -9.789 2.916 1118 1HG2 VAL 144 HG23 VAL 144 16.714 -11.581 4.963 1119 2HG2 VAL 144 HG22 VAL 144 14.984 -11.655 4.626 1120 3HG2 VAL 144 HG21 VAL 144 16.147 -11.879 3.319 1121 H GLU 145 HN GLU 145 19.260 -11.049 3.754 1122 HA GLU 145 HA GLU 145 19.397 -11.158 0.771 1123 1HB GLU 145 HB2 GLU 145 21.453 -10.515 2.189 1124 2HB GLU 145 HB1 GLU 145 21.490 -12.209 2.679 1125 1HG GLU 145 HG2 GLU 145 21.741 -12.940 0.391 1126 2HG GLU 145 HG1 GLU 145 21.471 -11.304 -0.212 1127 H ASP 146 HN ASP 146 18.516 -12.945 -0.126 1128 HA ASP 146 HA ASP 146 17.786 -15.249 1.523 1129 1HB ASP 146 HB2 ASP 146 16.524 -14.231 -0.539 1130 2HB ASP 146 HB1 ASP 146 17.640 -15.220 -1.481 1131 H THR 147 HN THR 147 18.229 -17.396 -0.181 1132 HA THR 147 HA THR 147 21.013 -17.985 0.347 1133 HB THR 147 HB THR 147 20.468 -20.078 -1.027 1134 HG1 THR 147 HG1 THR 147 17.958 -18.768 -0.990 1135 1HG2 THR 147 HG22 THR 147 18.754 -19.303 1.347 1136 2HG2 THR 147 HG21 THR 147 18.921 -20.951 0.741 1137 3HG2 THR 147 HG23 THR 147 20.324 -20.104 1.395 1138 H ASN 148 HN ASN 148 19.159 -17.159 -2.569 1139 HA ASN 148 HA ASN 148 21.707 -17.126 -4.116 1140 1HB ASN 148 HB2 ASN 148 19.654 -18.434 -4.934 1141 2HB ASN 148 HB1 ASN 148 18.917 -16.863 -5.251 1142 1HD2 ASN 148 HD22 ASN 148 21.885 -18.235 -7.692 1143 2HD2 ASN 148 HD21 ASN 148 21.477 -19.079 -6.277 1144 HA PRO 149 HA PRO 149 22.002 -12.682 -3.904 1145 1HB PRO 149 HB2 PRO 149 22.764 -12.524 -6.703 1146 2HB PRO 149 HB1 PRO 149 23.759 -12.264 -5.265 1147 1HG PRO 149 HG2 PRO 149 23.714 -14.535 -7.014 1148 2HG PRO 149 HG1 PRO 149 24.760 -14.237 -5.620 1149 1HD PRO 149 HD2 PRO 149 22.724 -16.161 -5.783 1150 2HD PRO 149 HD1 PRO 149 23.560 -15.639 -4.313 1151 H ALA 150 HN ALA 150 20.548 -14.075 -6.856 1152 HA ALA 150 HA ALA 150 19.064 -11.760 -7.624 1153 1HB ALA 150 HB1 ALA 150 19.498 -13.977 -8.921 1154 2HB ALA 150 HB3 ALA 150 18.063 -14.565 -8.082 1155 3HB ALA 150 HB2 ALA 150 17.949 -13.164 -9.148 1156 H LEU 151 HN LEU 151 18.419 -14.306 -5.284 1157 HA LEU 151 HA LEU 151 15.631 -13.505 -4.882 1158 1HB LEU 151 HB2 LEU 151 17.500 -15.428 -3.492 1159 2HB LEU 151 HB1 LEU 151 15.904 -15.061 -2.838 1160 HG LEU 151 HG LEU 151 16.395 -16.039 -5.664 1161 1HD1 LEU 151 HD11 LEU 151 15.562 -17.509 -3.148 1162 2HD1 LEU 151 HD13 LEU 151 15.365 -18.168 -4.772 1163 3HD1 LEU 151 HD12 LEU 151 16.979 -17.826 -4.150 1164 1HD2 LEU 151 HD23 LEU 151 13.950 -15.441 -3.997 1165 2HD2 LEU 151 HD22 LEU 151 14.339 -14.867 -5.619 1166 3HD2 LEU 151 HD21 LEU 151 13.872 -16.548 -5.367 1167 H THR 152 HN THR 152 18.021 -11.615 -4.428 1168 HA THR 152 HA THR 152 17.724 -11.015 -1.543 1169 HB THR 152 HB THR 152 19.375 -9.581 -3.644 1170 HG1 THR 152 HG1 THR 152 21.069 -10.824 -2.507 1171 1HG2 THR 152 HG22 THR 152 19.165 -9.456 -0.647 1172 2HG2 THR 152 HG21 THR 152 20.671 -9.018 -1.454 1173 3HG2 THR 152 HG23 THR 152 19.189 -8.131 -1.811 1174 H HIS 153 HN HIS 153 16.675 -9.173 -0.776 1175 HA HIS 153 HA HIS 153 15.685 -7.130 -2.637 1176 1HB HIS 153 HB2 HIS 153 13.295 -7.482 -1.949 1177 2HB HIS 153 HB1 HIS 153 13.944 -8.800 -2.925 1178 HD1 HIS 153 HD1 HIS 153 14.945 -10.884 -1.420 1179 HD2 HIS 153 HD2 HIS 153 12.226 -8.340 0.454 1180 HE1 HIS 153 HE1 HIS 153 14.084 -12.128 0.611 1181 H THR 154 HN THR 154 14.448 -5.418 -1.384 1182 HA THR 154 HA THR 154 15.117 -5.404 1.519 1183 HB THR 154 HB THR 154 15.631 -3.035 -0.298 1184 HG1 THR 154 HG1 THR 154 17.066 -4.686 -0.818 1185 1HG2 THR 154 HG22 THR 154 15.204 -2.929 2.304 1186 2HG2 THR 154 HG21 THR 154 16.865 -3.516 2.392 1187 3HG2 THR 154 HG23 THR 154 16.509 -1.990 1.583 1188 H TYR 155 HN TYR 155 13.462 -4.588 2.735 1189 HA TYR 155 HA TYR 155 11.036 -3.677 1.328 1190 1HB TYR 155 HB2 TYR 155 11.593 -4.211 4.262 1191 2HB TYR 155 HB1 TYR 155 10.017 -3.766 3.606 1192 HD1 TYR 155 HD1 TYR 155 8.850 -5.284 2.004 1193 HD2 TYR 155 HD2 TYR 155 12.475 -6.431 4.004 1194 HE1 TYR 155 HE1 TYR 155 8.419 -7.657 1.426 1195 HE2 TYR 155 HE2 TYR 155 12.043 -8.804 3.426 1196 HH TYR 155 HH TYR 155 10.799 -10.108 1.828 1197 H GLU 156 HN GLU 156 11.578 -1.573 0.623 1198 HA GLU 156 HA GLU 156 12.736 0.405 2.407 1199 1HB GLU 156 HB2 GLU 156 11.473 0.496 -0.328 1200 2HB GLU 156 HB1 GLU 156 11.879 1.985 0.525 1201 1HG GLU 156 HG2 GLU 156 14.217 1.143 0.793 1202 2HG GLU 156 HG1 GLU 156 13.789 -0.259 -0.189 1203 H VAL 157 HN VAL 157 11.676 1.958 3.624 1204 HA VAL 157 HA VAL 157 8.686 1.936 3.546 1205 HB VAL 157 HB VAL 157 10.389 2.158 6.046 1206 1HG1 VAL 157 HG12 VAL 157 7.430 2.125 5.468 1207 2HG1 VAL 157 HG11 VAL 157 8.050 1.613 7.039 1208 3HG1 VAL 157 HG13 VAL 157 8.346 3.254 6.465 1209 1HG2 VAL 157 HG22 VAL 157 9.101 -0.166 4.654 1210 2HG2 VAL 157 HG21 VAL 157 10.637 -0.093 5.518 1211 3HG2 VAL 157 HG23 VAL 157 9.121 -0.142 6.418 1212 H TRP 158 HN TRP 158 8.244 3.917 2.671 1213 HA TRP 158 HA TRP 158 9.792 6.272 3.661 1214 1HB TRP 158 HB2 TRP 158 8.067 5.940 1.187 1215 2HB TRP 158 HB1 TRP 158 8.896 7.427 1.646 1216 HD1 TRP 158 HD1 TRP 158 9.904 3.709 1.195 1217 HE1 TRP 158 HE1 TRP 158 12.187 3.643 0.000 1218 HE3 TRP 158 HE3 TRP 158 10.789 8.714 0.713 1219 HZ2 TRP 158 HZ2 TRP 158 14.133 5.474 -1.026 1220 HZ3 TRP 158 HZ3 TRP 158 12.863 9.525 -0.376 1221 HH2 TRP 158 HH2 TRP 158 14.534 7.913 -1.245 1222 H GLN 159 HN GLN 159 8.405 8.320 3.818 1223 HA GLN 159 HA GLN 159 5.587 7.785 4.573 1224 1HB GLN 159 HB2 GLN 159 7.700 8.911 6.426 1225 2HB GLN 159 HB1 GLN 159 5.971 9.120 6.709 1226 1HG GLN 159 HG2 GLN 159 5.818 6.551 6.453 1227 2HG GLN 159 HG1 GLN 159 7.568 6.561 6.672 1228 1HE2 GLN 159 HE22 GLN 159 5.519 6.476 9.972 1229 2HE2 GLN 159 HE21 GLN 159 5.158 5.724 8.493 1230 H LYS 160 HN LYS 160 4.264 9.581 4.252 1231 HA LYS 160 HA LYS 160 5.300 11.703 2.576 1232 1HB LYS 160 HB2 LYS 160 2.903 10.693 2.648 1233 2HB LYS 160 HB1 LYS 160 2.640 11.808 3.990 1234 1HG LYS 160 HG2 LYS 160 3.827 12.805 1.410 1235 2HG LYS 160 HG1 LYS 160 2.081 12.609 1.567 1236 1HD LYS 160 HD2 LYS 160 2.321 13.961 3.759 1237 2HD LYS 160 HD1 LYS 160 3.913 14.412 3.148 1238 1HE LYS 160 HE2 LYS 160 2.424 16.133 2.416 1239 2HE LYS 160 HE1 LYS 160 2.737 15.132 0.998 1240 1HZ LYS 160 HZ3 LYS 160 0.659 13.858 1.826 1241 2HZ LYS 160 HZ2 LYS 160 0.317 15.299 2.659 1242 3HZ LYS 160 HZ1 LYS 160 0.463 15.307 0.967 1243 H LYS 161 HN LYS 161 6.317 13.503 3.289 1244 HA LYS 161 HA LYS 161 5.504 14.686 5.894 1245 1HB LYS 161 HB2 LYS 161 8.348 14.009 5.085 1246 2HB LYS 161 HB1 LYS 161 7.926 15.036 6.455 1247 1HG LYS 161 HG2 LYS 161 6.554 13.138 7.370 1248 2HG LYS 161 HG1 LYS 161 7.188 12.122 6.075 1249 1HD LYS 161 HD2 LYS 161 9.470 12.469 6.864 1250 2HD LYS 161 HD1 LYS 161 8.901 13.590 8.101 1251 1HE LYS 161 HE2 LYS 161 7.878 10.754 7.957 1252 2HE LYS 161 HE1 LYS 161 9.351 11.160 8.839 1253 1HZ LYS 161 HZ3 LYS 161 6.788 12.571 9.290 1254 2HZ LYS 161 HZ2 LYS 161 7.224 11.176 10.157 1255 3HZ LYS 161 HZ1 LYS 161 8.173 12.582 10.268 1256 H ALA 162 HN ALA 162 5.452 16.906 5.812 1257 HA ALA 162 HA ALA 162 5.864 18.202 3.234 1258 1HB ALA 162 HB2 ALA 162 5.156 19.318 5.964 1259 2HB ALA 162 HB1 ALA 162 5.179 20.264 4.476 1260 3HB ALA 162 HB3 ALA 162 4.030 18.938 4.661 1261 1H9 TMQ 170 H91 TMQ 170 0.310 -10.015 -6.151 1262 2H9 TMQ 170 H92 TMQ 170 -0.617 -10.732 -4.823 1263 HN1 TMQ 170 H1N TMQ 170 1.430 -12.068 -6.428 1264 1H17 TMQ 170 HM1 TMQ 170 -0.994 -8.230 -2.836 1265 2H17 TMQ 170 HM2 TMQ 170 -0.955 -8.798 -4.505 1266 3H17 TMQ 170 HM3 TMQ 170 -0.313 -7.205 -4.107 1267 1H21 TMQ 170 HW11 TMQ 170 0.114 -13.038 -1.143 1268 2H21 TMQ 170 HW12 TMQ 170 -1.261 -13.270 -0.053 1269 3H21 TMQ 170 HW13 TMQ 170 -1.419 -12.212 -1.463 1270 1H22 TMQ 170 HI1 TMQ 170 0.558 -17.557 -3.457 1271 2H22 TMQ 170 HI2 TMQ 170 0.266 -16.695 -1.939 1272 3H22 TMQ 170 HI3 TMQ 170 -0.550 -18.234 -2.253 1273 1H23 TMQ 170 HW21 TMQ 170 0.925 -17.872 -7.254 1274 2H23 TMQ 170 HW22 TMQ 170 0.561 -16.197 -7.697 1275 3H23 TMQ 170 HW23 TMQ 170 1.794 -16.541 -6.474 1276 1HN2 TMQ 170 HN21 TMQ 170 4.673 -6.090 0.659 1277 2HN2 TMQ 170 HN22 TMQ 170 5.712 -7.388 0.173 1278 1HN5 TMQ 170 HN41 TMQ 170 0.552 -5.516 -1.068 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.166 -6.518 -2.251 1280 HN TMQ 170 H1 TMQ 170 5.000 -8.886 -1.402 1281 H7 TMQ 170 H7 TMQ 170 2.851 -11.496 -4.630 1282 H8 TMQ 170 H8 TMQ 170 4.471 -10.576 -3.035 1283 H12 TMQ 170 HP2 TMQ 170 -0.335 -12.114 -3.266 1284 H16 TMQ 170 HP6 TMQ 170 0.759 -14.376 -6.781 No H/Q in entry = 1284 Start of MODEL 16 1 1H THR 1 HT3 THR 1 -3.449 5.292 4.964 2 2H THR 1 HT2 THR 1 -3.436 6.552 3.825 3 3H THR 1 HT1 THR 1 -4.898 5.792 4.238 4 HA THR 1 HA THR 1 -4.373 3.844 3.107 5 HB THR 1 HB THR 1 -3.057 5.981 1.419 6 HG1 THR 1 HG1 THR 1 -5.264 6.321 2.611 7 1HG2 THR 1 HG22 THR 1 -4.833 3.609 0.784 8 2HG2 THR 1 HG21 THR 1 -4.210 4.757 -0.401 9 3HG2 THR 1 HG23 THR 1 -3.098 3.714 0.485 10 H ALA 2 HN ALA 2 -2.872 2.241 2.845 11 HA ALA 2 HA ALA 2 0.008 2.995 3.162 12 1HB ALA 2 HB2 ALA 2 -1.392 0.453 4.050 13 2HB ALA 2 HB1 ALA 2 0.331 0.787 4.227 14 3HB ALA 2 HB3 ALA 2 -0.850 1.752 5.113 15 H PHE 3 HN PHE 3 0.665 2.981 1.023 16 HA PHE 3 HA PHE 3 -0.266 1.037 -0.911 17 1HB PHE 3 HB2 PHE 3 1.853 3.158 -0.847 18 2HB PHE 3 HB1 PHE 3 1.910 1.940 -2.121 19 HD1 PHE 3 HD2 PHE 3 -0.866 3.794 -0.391 20 HD2 PHE 3 HD1 PHE 3 1.004 2.731 -4.110 21 HE1 PHE 3 HE2 PHE 3 -2.644 4.999 -1.630 22 HE2 PHE 3 HE1 PHE 3 -0.774 3.938 -5.347 23 HZ PHE 3 HZ PHE 3 -2.598 5.071 -4.109 24 H LEU 4 HN LEU 4 0.678 -0.895 -1.518 25 HA LEU 4 HA LEU 4 3.349 -1.634 -0.523 26 1HB LEU 4 HB2 LEU 4 1.793 -2.195 1.357 27 2HB LEU 4 HB1 LEU 4 0.905 -3.252 0.261 28 HG LEU 4 HG LEU 4 3.209 -4.368 -0.182 29 1HD1 LEU 4 HD11 LEU 4 3.719 -2.753 2.322 30 2HD1 LEU 4 HD13 LEU 4 4.634 -4.215 1.952 31 3HD1 LEU 4 HD12 LEU 4 4.699 -2.833 0.858 32 1HD2 LEU 4 HD22 LEU 4 1.589 -4.587 2.357 33 2HD2 LEU 4 HD21 LEU 4 1.564 -5.645 0.947 34 3HD2 LEU 4 HD23 LEU 4 2.945 -5.670 2.043 35 H TRP 5 HN TRP 5 4.233 -2.409 -2.385 36 HA TRP 5 HA TRP 5 2.772 -4.528 -3.846 37 1HB TRP 5 HB2 TRP 5 3.110 -3.458 -6.022 38 2HB TRP 5 HB1 TRP 5 2.170 -2.398 -4.976 39 HD1 TRP 5 HD1 TRP 5 5.150 -2.435 -7.123 40 HE1 TRP 5 HE1 TRP 5 6.562 -0.308 -6.781 41 HE3 TRP 5 HE3 TRP 5 3.000 -0.616 -2.858 42 HZ2 TRP 5 HZ2 TRP 5 6.758 1.874 -4.946 43 HZ3 TRP 5 HZ3 TRP 5 3.822 1.485 -1.837 44 HH2 TRP 5 HH2 TRP 5 5.696 2.732 -2.875 45 H ALA 6 HN ALA 6 4.174 -5.900 -5.072 46 HA ALA 6 HA ALA 6 7.029 -5.700 -4.242 47 1HB ALA 6 HB2 ALA 6 5.639 -7.801 -3.788 48 2HB ALA 6 HB1 ALA 6 5.669 -8.076 -5.530 49 3HB ALA 6 HB3 ALA 6 7.176 -8.056 -4.614 50 H GLN 7 HN GLN 7 8.384 -4.865 -5.745 51 HA GLN 7 HA GLN 7 7.935 -5.561 -8.608 52 1HB GLN 7 HB2 GLN 7 8.535 -3.203 -9.217 53 2HB GLN 7 HB1 GLN 7 7.004 -3.329 -8.350 54 1HG GLN 7 HG2 GLN 7 7.961 -2.551 -6.321 55 2HG GLN 7 HG1 GLN 7 9.605 -2.809 -6.906 56 1HE2 GLN 7 HE22 GLN 7 9.816 0.479 -8.118 57 2HE2 GLN 7 HE21 GLN 7 10.603 -0.878 -7.469 58 H ASP 8 HN ASP 8 9.888 -5.527 -9.873 59 HA ASP 8 HA ASP 8 12.346 -5.782 -8.207 60 1HB ASP 8 HB2 ASP 8 13.270 -6.930 -10.263 61 2HB ASP 8 HB1 ASP 8 11.905 -7.760 -9.515 62 H ARG 9 HN ARG 9 14.406 -5.076 -9.450 63 HA ARG 9 HA ARG 9 14.277 -2.274 -9.954 64 1HB ARG 9 HB2 ARG 9 16.607 -2.565 -10.833 65 2HB ARG 9 HB1 ARG 9 16.359 -3.318 -9.257 66 1HG ARG 9 HG2 ARG 9 16.431 -5.469 -10.115 67 2HG ARG 9 HG1 ARG 9 15.868 -4.963 -11.709 68 1HD ARG 9 HD2 ARG 9 18.262 -5.595 -11.758 69 2HD ARG 9 HD1 ARG 9 18.038 -3.890 -12.150 70 HE ARG 9 HE ARG 9 18.501 -4.273 -9.316 71 1HH1 ARG 9 HH11 ARG 9 20.031 -4.107 -12.431 72 2HH1 ARG 9 HH12 ARG 9 21.551 -3.586 -11.788 73 1HH2 ARG 9 HH21 ARG 9 20.481 -3.596 -8.494 74 2HH2 ARG 9 HH22 ARG 9 21.805 -3.298 -9.571 75 H ASP 10 HN ASP 10 13.629 -4.973 -12.006 76 HA ASP 10 HA ASP 10 14.155 -3.614 -14.528 77 1HB ASP 10 HB2 ASP 10 12.563 -6.106 -13.861 78 2HB ASP 10 HB1 ASP 10 12.883 -5.545 -15.503 79 H GLY 11 HN GLY 11 12.113 -2.644 -12.319 80 1HA GLY 11 HA2 GLY 11 10.126 -1.397 -12.353 81 2HA GLY 11 HA1 GLY 11 10.355 -1.262 -14.097 82 H LEU 12 HN LEU 12 9.945 -4.244 -12.213 83 HA LEU 12 HA LEU 12 7.479 -4.786 -13.819 84 1HB LEU 12 HB2 LEU 12 9.681 -6.295 -13.857 85 2HB LEU 12 HB1 LEU 12 8.942 -6.977 -12.407 86 HG LEU 12 HG LEU 12 6.794 -7.197 -13.782 87 1HD1 LEU 12 HD12 LEU 12 8.800 -6.633 -15.983 88 2HD1 LEU 12 HD11 LEU 12 7.209 -7.341 -16.259 89 3HD1 LEU 12 HD13 LEU 12 7.346 -5.707 -15.612 90 1HD2 LEU 12 HD23 LEU 12 8.561 -9.018 -13.239 91 2HD2 LEU 12 HD22 LEU 12 7.427 -9.342 -14.550 92 3HD2 LEU 12 HD21 LEU 12 9.072 -8.821 -14.916 93 H ILE 13 HN ILE 13 5.859 -6.194 -12.637 94 HA ILE 13 HA ILE 13 5.921 -5.860 -9.685 95 HB ILE 13 HB ILE 13 3.551 -5.040 -9.746 96 1HG1 ILE 13 HG12 ILE 13 4.110 -4.615 -12.696 97 2HG1 ILE 13 HG11 ILE 13 3.108 -5.923 -12.068 98 1HG2 ILE 13 HG21 ILE 13 5.666 -3.388 -11.154 99 2HG2 ILE 13 HG23 ILE 13 4.149 -2.728 -10.545 100 3HG2 ILE 13 HG22 ILE 13 5.321 -3.420 -9.424 101 1HD1 ILE 13 HD12 ILE 13 2.606 -2.974 -11.572 102 2HD1 ILE 13 HD11 ILE 13 1.754 -3.953 -12.766 103 3HD1 ILE 13 HD13 ILE 13 1.580 -4.310 -11.048 104 H GLY 14 HN GLY 14 4.604 -7.393 -12.558 105 1HA GLY 14 HA2 GLY 14 4.228 -9.900 -11.147 106 2HA GLY 14 HA1 GLY 14 2.688 -9.132 -11.535 107 H LYS 15 HN LYS 15 2.562 -11.233 -12.857 108 HA LYS 15 HA LYS 15 2.942 -10.604 -15.642 109 1HB LYS 15 HB2 LYS 15 5.296 -11.231 -14.935 110 2HB LYS 15 HB1 LYS 15 4.686 -12.852 -14.600 111 1HG LYS 15 HG2 LYS 15 3.734 -12.733 -17.028 112 2HG LYS 15 HG1 LYS 15 4.901 -11.427 -17.243 113 1HD LYS 15 HD2 LYS 15 6.735 -12.896 -16.608 114 2HD LYS 15 HD1 LYS 15 5.604 -14.195 -16.227 115 1HE LYS 15 HE2 LYS 15 4.965 -14.438 -18.521 116 2HE LYS 15 HE1 LYS 15 5.785 -12.943 -18.975 117 1HZ LYS 15 HZ3 LYS 15 7.834 -14.192 -17.978 118 2HZ LYS 15 HZ2 LYS 15 6.917 -15.573 -18.351 119 3HZ LYS 15 HZ1 LYS 15 7.341 -14.475 -19.577 120 H ASP 16 HN ASP 16 1.120 -11.496 -16.456 121 HA ASP 16 HA ASP 16 -0.618 -13.019 -16.851 122 1HB ASP 16 HB2 ASP 16 1.741 -14.710 -16.193 123 2HB ASP 16 HB1 ASP 16 0.164 -15.498 -16.117 124 H GLY 17 HN GLY 17 -0.497 -11.638 -14.295 125 1HA GLY 17 HA2 GLY 17 -2.026 -11.693 -12.463 126 2HA GLY 17 HA1 GLY 17 -2.310 -13.405 -12.783 127 H HIS 18 HN HIS 18 -0.104 -14.721 -12.511 128 HA HIS 18 HA HIS 18 0.661 -14.382 -9.718 129 1HB HIS 18 HB2 HIS 18 2.120 -16.373 -10.172 130 2HB HIS 18 HB1 HIS 18 0.430 -16.634 -10.603 131 HD1 HIS 18 HD1 HIS 18 3.840 -16.221 -12.096 132 HD2 HIS 18 HD2 HIS 18 -0.075 -16.779 -13.417 133 HE1 HIS 18 HE1 HIS 18 3.990 -16.794 -14.558 134 H LEU 19 HN LEU 19 3.045 -14.385 -9.112 135 HA LEU 19 HA LEU 19 4.367 -12.167 -10.485 136 1HB LEU 19 HB2 LEU 19 5.125 -13.880 -8.106 137 2HB LEU 19 HB1 LEU 19 6.156 -12.590 -8.728 138 HG LEU 19 HG LEU 19 3.277 -11.984 -8.152 139 1HD1 LEU 19 HD13 LEU 19 5.492 -12.279 -6.106 140 2HD1 LEU 19 HD12 LEU 19 4.029 -11.338 -5.814 141 3HD1 LEU 19 HD11 LEU 19 3.916 -13.073 -6.106 142 1HD2 LEU 19 HD22 LEU 19 5.156 -10.462 -9.212 143 2HD2 LEU 19 HD21 LEU 19 4.043 -9.782 -8.024 144 3HD2 LEU 19 HD23 LEU 19 5.666 -10.270 -7.534 145 HA PRO 20 HA PRO 20 7.100 -14.605 -13.017 146 1HB PRO 20 HB2 PRO 20 9.219 -12.785 -13.151 147 2HB PRO 20 HB1 PRO 20 7.785 -12.781 -14.186 148 1HG PRO 20 HG2 PRO 20 8.531 -10.878 -12.174 149 2HG PRO 20 HG1 PRO 20 7.130 -10.847 -13.253 150 1HD PRO 20 HD2 PRO 20 7.251 -11.571 -10.429 151 2HD PRO 20 HD1 PRO 20 5.835 -11.247 -11.441 152 H TRP 21 HN TRP 21 8.294 -13.295 -9.986 153 HA TRP 21 HA TRP 21 10.488 -15.322 -9.981 154 1HB TRP 21 HB2 TRP 21 11.424 -13.952 -8.099 155 2HB TRP 21 HB1 TRP 21 11.302 -13.060 -9.615 156 HD1 TRP 21 HD1 TRP 21 9.554 -13.439 -6.221 157 HE1 TRP 21 HE1 TRP 21 8.160 -11.315 -5.774 158 HE3 TRP 21 HE3 TRP 21 10.147 -11.039 -10.689 159 HZ2 TRP 21 HZ2 TRP 21 7.399 -8.917 -7.134 160 HZ3 TRP 21 HZ3 TRP 21 9.078 -8.839 -11.086 161 HH2 TRP 21 HH2 TRP 21 7.705 -7.776 -9.316 162 H HIS 22 HN HIS 22 10.941 -15.914 -7.472 163 HA HIS 22 HA HIS 22 8.316 -16.577 -6.206 164 1HB HIS 22 HB2 HIS 22 9.410 -18.513 -7.496 165 2HB HIS 22 HB1 HIS 22 10.661 -18.484 -6.253 166 HD1 HIS 22 HD1 HIS 22 6.842 -18.287 -6.114 167 HD2 HIS 22 HD2 HIS 22 9.999 -20.366 -4.357 168 HE1 HIS 22 HE1 HIS 22 5.810 -19.843 -4.404 169 H LEU 23 HN LEU 23 8.460 -15.210 -4.451 170 HA LEU 23 HA LEU 23 10.897 -15.487 -2.733 171 1HB LEU 23 HB2 LEU 23 10.524 -13.216 -3.856 172 2HB LEU 23 HB1 LEU 23 9.101 -13.053 -2.827 173 HG LEU 23 HG LEU 23 10.564 -13.433 -0.831 174 1HD1 LEU 23 HD11 LEU 23 12.636 -13.545 -3.011 175 2HD1 LEU 23 HD13 LEU 23 13.077 -12.977 -1.400 176 3HD1 LEU 23 HD12 LEU 23 12.437 -14.607 -1.616 177 1HD2 LEU 23 HD23 LEU 23 10.095 -11.130 -2.172 178 2HD2 LEU 23 HD22 LEU 23 11.049 -11.192 -0.689 179 3HD2 LEU 23 HD21 LEU 23 11.857 -11.163 -2.257 180 HA PRO 24 HA PRO 24 7.266 -17.484 -0.540 181 1HB PRO 24 HB2 PRO 24 9.375 -18.515 1.188 182 2HB PRO 24 HB1 PRO 24 8.228 -19.403 0.177 183 1HG PRO 24 HG2 PRO 24 11.001 -18.893 -0.315 184 2HG PRO 24 HG1 PRO 24 9.860 -19.816 -1.303 185 1HD PRO 24 HD2 PRO 24 11.006 -17.345 -1.974 186 2HD PRO 24 HD1 PRO 24 9.635 -18.119 -2.783 187 H ASP 25 HN ASP 25 10.116 -15.783 0.726 188 HA ASP 25 HA ASP 25 9.097 -15.249 3.342 189 1HB ASP 25 HB2 ASP 25 11.489 -14.868 2.265 190 2HB ASP 25 HB1 ASP 25 10.847 -13.256 1.946 191 H ASP 26 HN ASP 26 8.881 -13.413 0.300 192 HA ASP 26 HA ASP 26 7.488 -11.159 1.402 193 1HB ASP 26 HB2 ASP 26 8.611 -11.189 -0.837 194 2HB ASP 26 HB1 ASP 26 7.325 -12.244 -1.426 195 H LEU 27 HN LEU 27 6.391 -14.240 0.033 196 HA LEU 27 HA LEU 27 3.589 -13.619 0.008 197 1HB LEU 27 HB2 LEU 27 4.997 -16.294 0.288 198 2HB LEU 27 HB1 LEU 27 3.281 -16.087 -0.067 199 HG LEU 27 HG LEU 27 5.516 -14.954 -1.771 200 1HD1 LEU 27 HD13 LEU 27 4.078 -17.574 -1.789 201 2HD1 LEU 27 HD12 LEU 27 4.423 -16.815 -3.344 202 3HD1 LEU 27 HD11 LEU 27 5.743 -17.204 -2.240 203 1HD2 LEU 27 HD23 LEU 27 2.507 -15.044 -1.959 204 2HD2 LEU 27 HD22 LEU 27 3.582 -13.660 -2.154 205 3HD2 LEU 27 HD21 LEU 27 3.496 -14.893 -3.411 206 H HIS 28 HN HIS 28 5.796 -14.518 2.547 207 HA HIS 28 HA HIS 28 3.669 -15.290 4.421 208 1HB HIS 28 HB2 HIS 28 6.660 -14.926 4.651 209 2HB HIS 28 HB1 HIS 28 5.651 -15.204 6.072 210 HD1 HIS 28 HD1 HIS 28 3.677 -17.269 5.051 211 HD2 HIS 28 HD2 HIS 28 7.747 -17.429 4.163 212 HE1 HIS 28 HE1 HIS 28 4.186 -19.677 4.456 213 H TYR 29 HN TYR 29 5.574 -12.443 3.639 214 HA TYR 29 HA TYR 29 4.836 -10.944 6.015 215 1HB TYR 29 HB2 TYR 29 6.839 -10.506 4.477 216 2HB TYR 29 HB1 TYR 29 5.687 -9.773 3.360 217 HD1 TYR 29 HD2 TYR 29 6.205 -9.726 7.084 218 HD2 TYR 29 HD1 TYR 29 5.648 -7.453 3.481 219 HE1 TYR 29 HE2 TYR 29 6.265 -7.625 8.401 220 HE2 TYR 29 HE1 TYR 29 5.708 -5.353 4.798 221 HH TYR 29 HH TYR 29 6.453 -5.371 8.254 222 H PHE 30 HN PHE 30 3.375 -11.551 2.907 223 HA PHE 30 HA PHE 30 1.595 -9.313 2.800 224 1HB PHE 30 HB2 PHE 30 2.075 -10.957 0.928 225 2HB PHE 30 HB1 PHE 30 1.023 -12.102 1.763 226 HD1 PHE 30 HD1 PHE 30 1.044 -8.538 0.582 227 HD2 PHE 30 HD2 PHE 30 -1.255 -12.103 1.259 228 HE1 PHE 30 HE1 PHE 30 -0.944 -7.447 -0.423 229 HE2 PHE 30 HE2 PHE 30 -3.242 -11.012 0.254 230 HZ PHE 30 HZ PHE 30 -3.086 -8.685 -0.587 231 H ARG 31 HN ARG 31 1.192 -12.589 4.159 232 HA ARG 31 HA ARG 31 -1.500 -12.224 5.060 233 1HB ARG 31 HB2 ARG 31 -0.202 -14.418 4.887 234 2HB ARG 31 HB1 ARG 31 0.574 -13.968 6.407 235 1HG ARG 31 HG2 ARG 31 -1.630 -13.805 7.495 236 2HG ARG 31 HG1 ARG 31 -2.416 -14.242 5.977 237 1HD ARG 31 HD2 ARG 31 -2.298 -16.304 7.082 238 2HD ARG 31 HD1 ARG 31 -0.855 -16.341 6.069 239 HE ARG 31 HE ARG 31 0.054 -15.224 8.424 240 1HH1 ARG 31 HH21 ARG 31 -1.727 -18.092 7.606 241 2HH1 ARG 31 HH22 ARG 31 -1.105 -19.003 8.942 242 1HH2 ARG 31 HH11 ARG 31 0.855 -16.416 10.152 243 2HH2 ARG 31 HH12 ARG 31 0.350 -18.058 10.375 244 H ALA 32 HN ALA 32 1.609 -11.325 6.426 245 HA ALA 32 HA ALA 32 0.538 -10.693 9.067 246 1HB ALA 32 HB1 ALA 32 3.155 -9.972 7.715 247 2HB ALA 32 HB3 ALA 32 2.776 -9.611 9.399 248 3HB ALA 32 HB2 ALA 32 2.889 -11.287 8.860 249 H GLN 33 HN GLN 33 1.029 -8.994 6.039 250 HA GLN 33 HA GLN 33 0.267 -6.417 7.323 251 1HB GLN 33 HB2 GLN 33 1.403 -7.099 4.601 252 2HB GLN 33 HB1 GLN 33 0.836 -5.484 5.026 253 1HG GLN 33 HG2 GLN 33 2.865 -6.961 6.709 254 2HG GLN 33 HG1 GLN 33 3.340 -5.935 5.355 255 1HE2 GLN 33 HE22 GLN 33 2.591 -4.184 8.843 256 2HE2 GLN 33 HE21 GLN 33 2.945 -5.833 8.652 257 H THR 34 HN THR 34 -1.653 -8.608 6.930 258 HA THR 34 HA THR 34 -3.595 -7.131 5.215 259 HB THR 34 HB THR 34 -4.461 -9.444 4.512 260 HG1 THR 34 HG1 THR 34 -2.020 -10.050 5.757 261 1HG2 THR 34 HG22 THR 34 -1.811 -8.309 3.618 262 2HG2 THR 34 HG21 THR 34 -2.559 -9.683 2.801 263 3HG2 THR 34 HG23 THR 34 -3.390 -8.128 2.854 264 H VAL 35 HN VAL 35 -3.009 -9.447 7.821 265 HA VAL 35 HA VAL 35 -5.816 -9.525 8.636 266 HB VAL 35 HB VAL 35 -4.902 -10.747 10.628 267 1HG1 VAL 35 HG12 VAL 35 -5.483 -11.904 8.491 268 2HG1 VAL 35 HG11 VAL 35 -3.810 -11.712 7.968 269 3HG1 VAL 35 HG13 VAL 35 -4.185 -12.712 9.371 270 1HG2 VAL 35 HG23 VAL 35 -2.282 -10.121 9.235 271 2HG2 VAL 35 HG22 VAL 35 -2.757 -9.654 10.868 272 3HG2 VAL 35 HG21 VAL 35 -2.450 -11.349 10.490 273 H GLY 36 HN GLY 36 -6.797 -8.085 9.973 274 1HA GLY 36 HA2 GLY 36 -6.826 -6.695 11.982 275 2HA GLY 36 HA1 GLY 36 -5.104 -6.392 11.750 276 H LYS 37 HN LYS 37 -5.585 -5.997 8.797 277 HA LYS 37 HA LYS 37 -6.651 -3.211 8.996 278 1HB LYS 37 HB2 LYS 37 -4.554 -4.468 7.220 279 2HB LYS 37 HB1 LYS 37 -5.297 -2.917 6.826 280 1HG LYS 37 HG2 LYS 37 -3.373 -2.312 8.052 281 2HG LYS 37 HG1 LYS 37 -4.668 -2.236 9.248 282 1HD LYS 37 HD2 LYS 37 -4.046 -4.299 10.224 283 2HD LYS 37 HD1 LYS 37 -3.062 -4.757 8.833 284 1HE LYS 37 HE2 LYS 37 -2.417 -2.336 10.521 285 2HE LYS 37 HE1 LYS 37 -1.793 -3.939 10.908 286 1HZ LYS 37 HZ3 LYS 37 -1.067 -3.948 8.458 287 2HZ LYS 37 HZ2 LYS 37 -1.255 -2.262 8.545 288 3HZ LYS 37 HZ1 LYS 37 -0.154 -3.050 9.571 289 H ILE 38 HN ILE 38 -7.132 -2.631 6.383 290 HA ILE 38 HA ILE 38 -9.335 -4.526 5.707 291 HB ILE 38 HB ILE 38 -8.912 -1.683 4.741 292 1HG1 ILE 38 HG12 ILE 38 -10.813 -2.683 6.881 293 2HG1 ILE 38 HG11 ILE 38 -9.263 -1.921 7.236 294 1HG2 ILE 38 HG22 ILE 38 -10.328 -3.238 3.341 295 2HG2 ILE 38 HG21 ILE 38 -11.399 -3.415 4.732 296 3HG2 ILE 38 HG23 ILE 38 -11.196 -1.837 3.970 297 1HD1 ILE 38 HD11 ILE 38 -10.179 -0.044 5.607 298 2HD1 ILE 38 HD13 ILE 38 -11.744 -0.715 6.066 299 3HD1 ILE 38 HD12 ILE 38 -10.662 -0.071 7.303 300 H MET 39 HN MET 39 -8.722 -5.970 4.174 301 HA MET 39 HA MET 39 -6.542 -5.467 2.323 302 1HB MET 39 HB2 MET 39 -7.580 -7.737 3.280 303 2HB MET 39 HB1 MET 39 -8.541 -7.629 1.804 304 1HG MET 39 HG2 MET 39 -5.592 -7.169 1.603 305 2HG MET 39 HG1 MET 39 -6.165 -8.825 1.803 306 1HE MET 39 HE2 MET 39 -7.558 -10.021 0.578 307 2HE MET 39 HE1 MET 39 -8.936 -9.089 0.000 308 3HE MET 39 HE3 MET 39 -7.864 -9.896 -1.153 309 H VAL 40 HN VAL 40 -6.817 -4.021 0.692 310 HA VAL 40 HA VAL 40 -9.422 -4.056 -0.784 311 HB VAL 40 HB VAL 40 -7.483 -1.738 -0.528 312 1HG1 VAL 40 HG11 VAL 40 -10.283 -2.005 -1.663 313 2HG1 VAL 40 HG13 VAL 40 -9.460 -0.465 -1.411 314 3HG1 VAL 40 HG12 VAL 40 -8.810 -1.634 -2.559 315 1HG2 VAL 40 HG22 VAL 40 -8.540 -2.288 1.641 316 2HG2 VAL 40 HG21 VAL 40 -9.164 -0.769 0.999 317 3HG2 VAL 40 HG23 VAL 40 -10.128 -2.241 0.875 318 H VAL 41 HN VAL 41 -9.234 -4.817 -2.824 319 HA VAL 41 HA VAL 41 -6.687 -4.349 -4.301 320 HB VAL 41 HB VAL 41 -6.875 -6.680 -5.218 321 1HG1 VAL 41 HG11 VAL 41 -6.433 -6.140 -2.290 322 2HG1 VAL 41 HG13 VAL 41 -6.267 -7.777 -2.926 323 3HG1 VAL 41 HG12 VAL 41 -5.242 -6.481 -3.545 324 1HG2 VAL 41 HG22 VAL 41 -9.396 -6.694 -4.365 325 2HG2 VAL 41 HG21 VAL 41 -8.464 -8.188 -4.451 326 3HG2 VAL 41 HG23 VAL 41 -8.657 -7.357 -2.907 327 H GLY 42 HN GLY 42 -7.137 -5.137 -6.722 328 1HA GLY 42 HA2 GLY 42 -9.635 -3.752 -7.540 329 2HA GLY 42 HA1 GLY 42 -8.254 -4.080 -8.588 330 H ARG 43 HN ARG 43 -10.388 -4.816 -9.834 331 HA ARG 43 HA ARG 43 -11.508 -7.383 -9.122 332 1HB ARG 43 HB2 ARG 43 -12.373 -7.354 -11.478 333 2HB ARG 43 HB1 ARG 43 -12.752 -5.885 -10.580 334 1HG ARG 43 HG2 ARG 43 -10.683 -4.838 -11.581 335 2HG ARG 43 HG1 ARG 43 -10.535 -6.263 -12.609 336 1HD ARG 43 HD2 ARG 43 -12.900 -5.822 -13.398 337 2HD ARG 43 HD1 ARG 43 -12.826 -4.284 -12.539 338 HE ARG 43 HE ARG 43 -10.552 -4.522 -14.271 339 1HH1 ARG 43 HH11 ARG 43 -13.990 -4.023 -14.307 340 2HH1 ARG 43 HH12 ARG 43 -13.962 -3.119 -15.785 341 1HH2 ARG 43 HH21 ARG 43 -10.529 -3.347 -16.187 342 2HH2 ARG 43 HH22 ARG 43 -12.012 -2.739 -16.842 343 H ARG 44 HN ARG 44 -8.886 -6.342 -11.278 344 HA ARG 44 HA ARG 44 -8.351 -8.962 -12.359 345 1HB ARG 44 HB2 ARG 44 -6.599 -6.499 -12.110 346 2HB ARG 44 HB1 ARG 44 -6.154 -7.943 -13.019 347 1HG ARG 44 HG2 ARG 44 -7.882 -7.631 -14.597 348 2HG ARG 44 HG1 ARG 44 -8.759 -6.518 -13.546 349 1HD ARG 44 HD2 ARG 44 -7.663 -5.232 -15.296 350 2HD ARG 44 HD1 ARG 44 -6.859 -4.899 -13.762 351 HE ARG 44 HE ARG 44 -5.549 -7.079 -15.106 352 1HH1 ARG 44 HH11 ARG 44 -5.984 -3.634 -15.198 353 2HH1 ARG 44 HH12 ARG 44 -4.453 -3.341 -15.954 354 1HH2 ARG 44 HH21 ARG 44 -3.565 -6.687 -16.087 355 2HH2 ARG 44 HH22 ARG 44 -3.092 -5.062 -16.455 356 H THR 45 HN THR 45 -7.039 -7.129 -9.610 357 HA THR 45 HA THR 45 -5.069 -9.136 -8.908 358 HB THR 45 HB THR 45 -6.292 -7.038 -7.094 359 HG1 THR 45 HG1 THR 45 -5.446 -6.249 -9.142 360 1HG2 THR 45 HG21 THR 45 -3.763 -8.678 -7.090 361 2HG2 THR 45 HG23 THR 45 -3.867 -7.159 -6.200 362 3HG2 THR 45 HG22 THR 45 -4.954 -8.491 -5.804 363 H TYR 46 HN TYR 46 -8.460 -8.664 -8.236 364 HA TYR 46 HA TYR 46 -8.666 -10.308 -5.893 365 1HB TYR 46 HB2 TYR 46 -10.435 -8.724 -6.833 366 2HB TYR 46 HB1 TYR 46 -10.802 -9.985 -8.012 367 HD1 TYR 46 HD2 TYR 46 -10.390 -9.479 -4.320 368 HD2 TYR 46 HD1 TYR 46 -12.332 -11.668 -7.465 369 HE1 TYR 46 HE2 TYR 46 -11.795 -10.645 -2.642 370 HE2 TYR 46 HE1 TYR 46 -13.737 -12.834 -5.786 371 HH TYR 46 HH TYR 46 -14.558 -12.303 -3.393 372 H GLU 47 HN GLU 47 -9.012 -11.042 -9.366 373 HA GLU 47 HA GLU 47 -9.485 -13.879 -8.881 374 1HB GLU 47 HB2 GLU 47 -8.923 -12.233 -11.353 375 2HB GLU 47 HB1 GLU 47 -9.045 -13.992 -11.416 376 1HG GLU 47 HG2 GLU 47 -11.304 -13.974 -10.701 377 2HG GLU 47 HG1 GLU 47 -11.200 -12.304 -10.141 378 H SER 48 HN SER 48 -6.707 -11.827 -9.405 379 HA SER 48 HA SER 48 -4.826 -13.811 -10.234 380 1HB SER 48 HB2 SER 48 -3.133 -12.221 -9.647 381 2HB SER 48 HB1 SER 48 -4.505 -11.284 -10.229 382 HG SER 48 HG SER 48 -3.305 -11.159 -7.871 383 H PHE 49 HN PHE 49 -6.303 -13.163 -7.164 384 HA PHE 49 HA PHE 49 -4.323 -14.263 -5.422 385 1HB PHE 49 HB2 PHE 49 -7.320 -13.964 -5.249 386 2HB PHE 49 HB1 PHE 49 -6.419 -14.790 -3.977 387 HD1 PHE 49 HD2 PHE 49 -4.011 -13.394 -3.553 388 HD2 PHE 49 HD1 PHE 49 -7.822 -11.765 -4.679 389 HE1 PHE 49 HE2 PHE 49 -3.359 -11.205 -2.590 390 HE2 PHE 49 HE1 PHE 49 -7.171 -9.575 -3.717 391 HZ PHE 49 HZ PHE 49 -4.939 -9.295 -2.672 392 HA PRO 50 HA PRO 50 -4.709 -18.642 -6.117 393 1HB PRO 50 HB2 PRO 50 -4.177 -19.526 -3.521 394 2HB PRO 50 HB1 PRO 50 -2.963 -19.094 -4.732 395 1HG PRO 50 HG2 PRO 50 -3.605 -17.727 -2.293 396 2HG PRO 50 HG1 PRO 50 -2.359 -17.327 -3.484 397 1HD PRO 50 HD2 PRO 50 -4.972 -16.087 -3.073 398 2HD PRO 50 HD1 PRO 50 -3.594 -15.506 -4.022 399 H LYS 51 HN LYS 51 -5.873 -18.377 -2.752 400 HA LYS 51 HA LYS 51 -8.392 -19.734 -3.629 401 1HB LYS 51 HB2 LYS 51 -6.923 -19.823 -0.977 402 2HB LYS 51 HB1 LYS 51 -8.514 -20.536 -1.248 403 1HG LYS 51 HG2 LYS 51 -7.590 -21.976 -3.009 404 2HG LYS 51 HG1 LYS 51 -6.002 -21.243 -2.792 405 1HD LYS 51 HD2 LYS 51 -6.061 -22.003 -0.391 406 2HD LYS 51 HD1 LYS 51 -7.539 -22.890 -0.768 407 1HE LYS 51 HE2 LYS 51 -5.729 -24.453 -0.984 408 2HE LYS 51 HE1 LYS 51 -6.243 -24.045 -2.621 409 1HZ LYS 51 HZ3 LYS 51 -4.338 -22.168 -1.828 410 2HZ LYS 51 HZ2 LYS 51 -3.717 -23.704 -1.452 411 3HZ LYS 51 HZ1 LYS 51 -4.202 -23.346 -3.040 412 H ARG 52 HN ARG 52 -9.323 -17.612 -4.095 413 HA ARG 52 HA ARG 52 -9.652 -15.716 -1.872 414 1HB ARG 52 HB2 ARG 52 -11.032 -14.451 -3.543 415 2HB ARG 52 HB1 ARG 52 -9.402 -14.807 -4.116 416 1HG ARG 52 HG2 ARG 52 -10.231 -16.726 -5.386 417 2HG ARG 52 HG1 ARG 52 -11.860 -16.460 -4.763 418 1HD ARG 52 HD2 ARG 52 -12.187 -14.545 -6.043 419 2HD ARG 52 HD1 ARG 52 -10.459 -14.211 -6.168 420 HE ARG 52 HE ARG 52 -10.419 -15.541 -8.106 421 1HH1 ARG 52 HH11 ARG 52 -13.188 -16.317 -6.157 422 2HH1 ARG 52 HH12 ARG 52 -13.844 -17.423 -7.317 423 1HH2 ARG 52 HH21 ARG 52 -11.279 -16.979 -9.603 424 2HH2 ARG 52 HH22 ARG 52 -12.767 -17.796 -9.258 425 HA PRO 53 HA PRO 53 -11.233 -14.036 -1.599 426 1HB PRO 53 HB2 PRO 53 -12.819 -13.457 0.629 427 2HB PRO 53 HB1 PRO 53 -13.230 -13.095 -1.053 428 1HG PRO 53 HG2 PRO 53 -14.470 -14.986 0.706 429 2HG PRO 53 HG1 PRO 53 -14.897 -14.597 -0.966 430 1HD PRO 53 HD2 PRO 53 -13.424 -16.905 0.070 431 2HD PRO 53 HD1 PRO 53 -14.165 -16.670 -1.521 432 H LEU 54 HN LEU 54 -9.831 -13.098 -0.002 433 HA LEU 54 HA LEU 54 -8.474 -15.016 1.694 434 1HB LEU 54 HB2 LEU 54 -8.218 -12.008 1.428 435 2HB LEU 54 HB1 LEU 54 -7.149 -13.005 2.416 436 HG LEU 54 HG LEU 54 -7.599 -13.421 -0.552 437 1HD1 LEU 54 HD13 LEU 54 -5.701 -11.721 0.989 438 2HD1 LEU 54 HD12 LEU 54 -5.030 -12.635 -0.362 439 3HD1 LEU 54 HD11 LEU 54 -6.348 -11.495 -0.636 440 1HD2 LEU 54 HD23 LEU 54 -5.720 -14.625 1.497 441 2HD2 LEU 54 HD22 LEU 54 -6.916 -15.465 0.509 442 3HD2 LEU 54 HD21 LEU 54 -5.471 -14.786 -0.241 443 HA PRO 55 HA PRO 55 -11.350 -14.187 5.125 444 1HB PRO 55 HB2 PRO 55 -10.398 -16.367 6.617 445 2HB PRO 55 HB1 PRO 55 -11.788 -16.376 5.524 446 1HG PRO 55 HG2 PRO 55 -9.278 -17.704 5.198 447 2HG PRO 55 HG1 PRO 55 -10.674 -17.717 4.111 448 1HD PRO 55 HD2 PRO 55 -8.167 -16.237 3.865 449 2HD PRO 55 HD1 PRO 55 -9.425 -16.517 2.651 450 H GLU 56 HN GLU 56 -10.870 -14.266 7.670 451 HA GLU 56 HA GLU 56 -9.682 -13.311 9.449 452 1HB GLU 56 HB2 GLU 56 -7.618 -14.664 7.799 453 2HB GLU 56 HB1 GLU 56 -7.020 -13.438 8.917 454 1HG GLU 56 HG2 GLU 56 -7.022 -15.342 10.268 455 2HG GLU 56 HG1 GLU 56 -8.598 -14.643 10.640 456 H ARG 57 HN ARG 57 -10.520 -11.661 7.159 457 HA ARG 57 HA ARG 57 -9.244 -9.207 7.870 458 1HB ARG 57 HB2 ARG 57 -8.057 -8.756 5.718 459 2HB ARG 57 HB1 ARG 57 -7.319 -10.067 6.640 460 1HG ARG 57 HG2 ARG 57 -8.858 -11.624 5.242 461 2HG ARG 57 HG1 ARG 57 -9.022 -10.240 4.160 462 1HD ARG 57 HD2 ARG 57 -7.152 -11.168 3.206 463 2HD ARG 57 HD1 ARG 57 -6.347 -10.226 4.461 464 HE ARG 57 HE ARG 57 -7.016 -12.764 5.559 465 1HH1 ARG 57 HH11 ARG 57 -4.949 -11.344 3.156 466 2HH1 ARG 57 HH12 ARG 57 -3.739 -12.574 3.298 467 1HH2 ARG 57 HH21 ARG 57 -5.440 -14.355 5.734 468 2HH2 ARG 57 HH22 ARG 57 -4.017 -14.272 4.751 469 H THR 58 HN THR 58 -9.753 -7.524 5.923 470 HA THR 58 HA THR 58 -12.613 -8.011 5.251 471 HB THR 58 HB THR 58 -11.084 -5.402 5.079 472 HG1 THR 58 HG1 THR 58 -11.040 -6.137 7.200 473 1HG2 THR 58 HG22 THR 58 -14.031 -6.095 5.228 474 2HG2 THR 58 HG21 THR 58 -13.380 -4.457 5.257 475 3HG2 THR 58 HG23 THR 58 -13.177 -5.460 3.822 476 H ASN 59 HN ASN 59 -13.033 -8.636 3.198 477 HA ASN 59 HA ASN 59 -10.997 -8.170 1.094 478 1HB ASN 59 HB2 ASN 59 -13.569 -9.780 1.020 479 2HB ASN 59 HB1 ASN 59 -12.332 -9.752 -0.237 480 1HD2 ASN 59 HD21 ASN 59 -9.990 -9.832 1.387 481 2HD2 ASN 59 HD22 ASN 59 -9.944 -11.322 2.201 482 H VAL 60 HN VAL 60 -11.196 -6.354 -0.104 483 HA VAL 60 HA VAL 60 -13.951 -5.371 -0.732 484 HB VAL 60 HB VAL 60 -11.490 -3.652 -0.299 485 1HG1 VAL 60 HG13 VAL 60 -14.422 -3.048 -0.774 486 2HG1 VAL 60 HG12 VAL 60 -13.257 -1.844 -0.223 487 3HG1 VAL 60 HG11 VAL 60 -13.059 -2.603 -1.802 488 1HG2 VAL 60 HG21 VAL 60 -13.810 -4.364 1.511 489 2HG2 VAL 60 HG23 VAL 60 -12.087 -4.536 1.843 490 3HG2 VAL 60 HG22 VAL 60 -12.815 -2.931 1.768 491 H VAL 61 HN VAL 61 -14.279 -4.713 -2.868 492 HA VAL 61 HA VAL 61 -11.943 -4.984 -4.718 493 HB VAL 61 HB VAL 61 -14.783 -5.875 -5.299 494 1HG1 VAL 61 HG13 VAL 61 -12.159 -6.082 -6.798 495 2HG1 VAL 61 HG12 VAL 61 -13.593 -7.015 -7.227 496 3HG1 VAL 61 HG11 VAL 61 -13.627 -5.255 -7.318 497 1HG2 VAL 61 HG22 VAL 61 -12.315 -7.408 -4.442 498 2HG2 VAL 61 HG21 VAL 61 -13.901 -7.397 -3.671 499 3HG2 VAL 61 HG23 VAL 61 -13.688 -8.181 -5.236 500 H LEU 62 HN LEU 62 -11.712 -3.288 -6.111 501 HA LEU 62 HA LEU 62 -13.857 -1.215 -6.107 502 1HB LEU 62 HB2 LEU 62 -11.482 -0.624 -5.400 503 2HB LEU 62 HB1 LEU 62 -11.005 -0.905 -7.074 504 HG LEU 62 HG LEU 62 -12.935 0.729 -7.669 505 1HD1 LEU 62 HD11 LEU 62 -12.492 1.297 -4.725 506 2HD1 LEU 62 HD13 LEU 62 -13.265 2.436 -5.829 507 3HD1 LEU 62 HD12 LEU 62 -14.010 0.869 -5.514 508 1HD2 LEU 62 HD23 LEU 62 -10.357 1.577 -6.319 509 2HD2 LEU 62 HD22 LEU 62 -10.637 1.347 -8.045 510 3HD2 LEU 62 HD21 LEU 62 -11.396 2.695 -7.201 511 H THR 63 HN THR 63 -15.189 -1.427 -7.839 512 HA THR 63 HA THR 63 -13.945 -1.809 -10.519 513 HB THR 63 HB THR 63 -14.783 -4.008 -9.893 514 HG1 THR 63 HG1 THR 63 -15.211 -3.207 -12.028 515 1HG2 THR 63 HG23 THR 63 -17.394 -2.573 -9.338 516 2HG2 THR 63 HG22 THR 63 -17.162 -4.320 -9.293 517 3HG2 THR 63 HG21 THR 63 -16.332 -3.290 -8.127 518 H HIS 64 HN HIS 64 -15.219 -0.897 -12.252 519 HA HIS 64 HA HIS 64 -16.913 1.349 -11.349 520 1HB HIS 64 HB2 HIS 64 -15.056 1.471 -13.155 521 2HB HIS 64 HB1 HIS 64 -16.232 0.695 -14.215 522 HD1 HIS 64 HD1 HIS 64 -16.374 3.593 -11.718 523 HD2 HIS 64 HD2 HIS 64 -17.654 2.624 -15.565 524 HE1 HIS 64 HE1 HIS 64 -17.627 5.615 -12.586 525 H GLN 65 HN GLN 65 -17.156 -1.435 -13.577 526 HA GLN 65 HA GLN 65 -19.971 -1.002 -14.117 527 1HB GLN 65 HB2 GLN 65 -18.363 -3.552 -14.443 528 2HB GLN 65 HB1 GLN 65 -19.883 -3.152 -15.246 529 1HG GLN 65 HG2 GLN 65 -18.848 -1.371 -16.490 530 2HG GLN 65 HG1 GLN 65 -17.363 -1.499 -15.546 531 1HE2 GLN 65 HE22 GLN 65 -16.012 -3.961 -17.657 532 2HE2 GLN 65 HE21 GLN 65 -15.753 -2.774 -16.471 533 H GLU 66 HN GLU 66 -21.708 -2.461 -13.413 534 HA GLU 66 HA GLU 66 -21.268 -3.394 -10.617 535 1HB GLU 66 HB2 GLU 66 -23.137 -1.711 -11.358 536 2HB GLU 66 HB1 GLU 66 -23.969 -3.163 -11.916 537 1HG GLU 66 HG2 GLU 66 -23.614 -4.148 -9.620 538 2HG GLU 66 HG1 GLU 66 -23.016 -2.571 -9.102 539 H ASP 67 HN ASP 67 -21.017 -4.749 -13.534 540 HA ASP 67 HA ASP 67 -22.764 -7.056 -13.286 541 1HB ASP 67 HB2 ASP 67 -21.362 -7.938 -15.164 542 2HB ASP 67 HB1 ASP 67 -22.025 -6.341 -15.491 543 H TYR 68 HN TYR 68 -19.527 -6.214 -12.252 544 HA TYR 68 HA TYR 68 -18.520 -8.849 -11.773 545 1HB TYR 68 HB2 TYR 68 -17.268 -6.582 -11.718 546 2HB TYR 68 HB1 TYR 68 -17.846 -6.461 -10.056 547 HD1 TYR 68 HD1 TYR 68 -15.809 -8.495 -12.398 548 HD2 TYR 68 HD2 TYR 68 -16.929 -7.823 -8.306 549 HE1 TYR 68 HE1 TYR 68 -13.986 -10.003 -11.651 550 HE2 TYR 68 HE2 TYR 68 -15.107 -9.330 -7.559 551 HH TYR 68 HH TYR 68 -13.178 -10.359 -8.243 552 H GLN 69 HN GLN 69 -18.410 -10.017 -9.756 553 HA GLN 69 HA GLN 69 -20.276 -9.156 -7.613 554 1HB GLN 69 HB2 GLN 69 -20.427 -11.803 -9.084 555 2HB GLN 69 HB1 GLN 69 -21.262 -11.469 -7.567 556 1HG GLN 69 HG2 GLN 69 -22.456 -9.592 -8.628 557 2HG GLN 69 HG1 GLN 69 -21.619 -9.916 -10.148 558 1HE2 GLN 69 HE22 GLN 69 -24.940 -11.985 -9.301 559 2HE2 GLN 69 HE21 GLN 69 -24.465 -10.595 -8.450 560 H ALA 70 HN ALA 70 -19.662 -9.914 -5.574 561 HA ALA 70 HA ALA 70 -17.338 -11.782 -5.454 562 1HB ALA 70 HB1 ALA 70 -16.671 -9.308 -5.262 563 2HB ALA 70 HB3 ALA 70 -17.525 -9.312 -3.719 564 3HB ALA 70 HB2 ALA 70 -16.135 -10.369 -3.960 565 H GLN 71 HN GLN 71 -17.767 -13.402 -4.045 566 HA GLN 71 HA GLN 71 -20.102 -13.181 -2.257 567 1HB GLN 71 HB2 GLN 71 -18.258 -15.437 -3.056 568 2HB GLN 71 HB1 GLN 71 -19.418 -15.618 -1.739 569 1HG GLN 71 HG2 GLN 71 -20.625 -16.381 -3.606 570 2HG GLN 71 HG1 GLN 71 -21.155 -14.706 -3.453 571 1HE2 GLN 71 HE22 GLN 71 -19.944 -13.823 -6.631 572 2HE2 GLN 71 HE21 GLN 71 -20.939 -13.442 -5.310 573 H GLY 72 HN GLY 72 -19.892 -12.561 -0.171 574 1HA GLY 72 HA2 GLY 72 -18.964 -12.286 1.973 575 2HA GLY 72 HA1 GLY 72 -17.719 -13.451 1.521 576 H ALA 73 HN ALA 73 -18.520 -10.367 -0.060 577 HA ALA 73 HA ALA 73 -16.080 -9.097 0.985 578 1HB ALA 73 HB3 ALA 73 -16.391 -9.975 -1.887 579 2HB ALA 73 HB2 ALA 73 -15.366 -8.606 -1.457 580 3HB ALA 73 HB1 ALA 73 -15.013 -10.208 -0.810 581 H VAL 74 HN VAL 74 -16.116 -6.819 0.679 582 HA VAL 74 HA VAL 74 -18.790 -5.731 0.091 583 HB VAL 74 HB VAL 74 -16.268 -4.270 0.929 584 1HG1 VAL 74 HG11 VAL 74 -19.206 -3.559 0.845 585 2HG1 VAL 74 HG13 VAL 74 -18.046 -2.661 1.825 586 3HG1 VAL 74 HG12 VAL 74 -17.864 -2.717 0.071 587 1HG2 VAL 74 HG22 VAL 74 -18.455 -5.623 2.522 588 2HG2 VAL 74 HG21 VAL 74 -16.712 -5.855 2.656 589 3HG2 VAL 74 HG23 VAL 74 -17.447 -4.350 3.210 590 H VAL 75 HN VAL 75 -19.095 -5.719 -2.130 591 HA VAL 75 HA VAL 75 -16.995 -4.928 -3.986 592 HB VAL 75 HB VAL 75 -19.979 -5.142 -4.481 593 1HG1 VAL 75 HG13 VAL 75 -18.483 -3.964 -6.179 594 2HG1 VAL 75 HG12 VAL 75 -17.675 -5.516 -6.407 595 3HG1 VAL 75 HG11 VAL 75 -19.389 -5.348 -6.791 596 1HG2 VAL 75 HG22 VAL 75 -17.781 -7.227 -4.672 597 2HG2 VAL 75 HG21 VAL 75 -19.133 -7.238 -3.538 598 3HG2 VAL 75 HG23 VAL 75 -19.428 -7.448 -5.264 599 H VAL 76 HN VAL 76 -16.337 -2.816 -3.548 600 HA VAL 76 HA VAL 76 -18.362 -0.683 -3.283 601 HB VAL 76 HB VAL 76 -16.352 0.787 -2.986 602 1HG1 VAL 76 HG12 VAL 76 -16.550 -1.722 -1.296 603 2HG1 VAL 76 HG11 VAL 76 -15.616 -0.300 -0.834 604 3HG1 VAL 76 HG13 VAL 76 -17.366 -0.184 -1.013 605 1HG2 VAL 76 HG23 VAL 76 -14.933 -0.845 -4.435 606 2HG2 VAL 76 HG22 VAL 76 -14.162 -0.088 -3.041 607 3HG2 VAL 76 HG21 VAL 76 -14.729 -1.755 -2.938 608 H HIS 77 HN HIS 77 -18.152 1.279 -4.684 609 HA HIS 77 HA HIS 77 -16.993 0.728 -7.369 610 1HB HIS 77 HB2 HIS 77 -19.838 1.656 -6.866 611 2HB HIS 77 HB1 HIS 77 -19.071 1.531 -8.449 612 HD1 HIS 77 HD1 HIS 77 -19.085 -0.733 -9.557 613 HD2 HIS 77 HD2 HIS 77 -20.111 -0.956 -5.522 614 HE1 HIS 77 HE1 HIS 77 -19.815 -3.121 -9.134 615 H ASP 78 HN ASP 78 -16.260 2.498 -5.105 616 HA ASP 78 HA ASP 78 -15.753 4.905 -6.617 617 1HB ASP 78 HB2 ASP 78 -18.232 5.073 -5.813 618 2HB ASP 78 HB1 ASP 78 -17.524 5.375 -4.225 619 H VAL 79 HN VAL 79 -14.166 6.177 -5.584 620 HA VAL 79 HA VAL 79 -12.596 4.861 -3.558 621 HB VAL 79 HB VAL 79 -12.453 7.760 -4.439 622 1HG1 VAL 79 HG11 VAL 79 -11.192 6.952 -2.352 623 2HG1 VAL 79 HG13 VAL 79 -10.233 5.962 -3.451 624 3HG1 VAL 79 HG12 VAL 79 -10.222 7.718 -3.609 625 1HG2 VAL 79 HG23 VAL 79 -11.264 5.232 -5.614 626 2HG2 VAL 79 HG22 VAL 79 -12.315 6.397 -6.419 627 3HG2 VAL 79 HG21 VAL 79 -10.663 6.846 -5.996 628 H ALA 80 HN ALA 80 -15.019 7.423 -3.496 629 HA ALA 80 HA ALA 80 -14.541 8.258 -0.777 630 1HB ALA 80 HB2 ALA 80 -15.812 9.619 -2.429 631 2HB ALA 80 HB1 ALA 80 -17.101 8.417 -2.399 632 3HB ALA 80 HB3 ALA 80 -16.730 9.348 -0.947 633 H ALA 81 HN ALA 81 -16.450 5.697 -2.253 634 HA ALA 81 HA ALA 81 -18.009 5.041 0.080 635 1HB ALA 81 HB3 ALA 81 -18.576 4.289 -2.231 636 2HB ALA 81 HB2 ALA 81 -17.167 3.229 -2.204 637 3HB ALA 81 HB1 ALA 81 -18.502 2.949 -1.086 638 H VAL 82 HN VAL 82 -14.851 3.983 -1.132 639 HA VAL 82 HA VAL 82 -14.470 1.897 0.825 640 HB VAL 82 HB VAL 82 -12.350 3.497 -0.639 641 1HG1 VAL 82 HG13 VAL 82 -12.377 0.751 0.648 642 2HG1 VAL 82 HG12 VAL 82 -11.068 1.356 -0.367 643 3HG1 VAL 82 HG11 VAL 82 -11.436 2.150 1.164 644 1HG2 VAL 82 HG23 VAL 82 -14.109 1.197 -1.470 645 2HG2 VAL 82 HG22 VAL 82 -13.688 2.651 -2.376 646 3HG2 VAL 82 HG21 VAL 82 -12.493 1.371 -2.156 647 H PHE 83 HN PHE 83 -13.710 5.353 0.731 648 HA PHE 83 HA PHE 83 -12.180 5.347 3.194 649 1HB PHE 83 HB2 PHE 83 -13.441 7.475 1.477 650 2HB PHE 83 HB1 PHE 83 -12.789 7.886 3.063 651 HD1 PHE 83 HD2 PHE 83 -10.396 6.594 3.499 652 HD2 PHE 83 HD1 PHE 83 -11.982 7.827 -0.296 653 HE1 PHE 83 HE2 PHE 83 -8.104 6.624 2.553 654 HE2 PHE 83 HE1 PHE 83 -9.690 7.858 -1.244 655 HZ PHE 83 HZ PHE 83 -7.751 7.256 0.181 656 H ALA 84 HN ALA 84 -15.580 5.670 2.372 657 HA ALA 84 HA ALA 84 -16.475 6.724 4.893 658 1HB ALA 84 HB2 ALA 84 -17.951 5.011 2.869 659 2HB ALA 84 HB1 ALA 84 -18.706 5.914 4.182 660 3HB ALA 84 HB3 ALA 84 -17.888 6.773 2.877 661 H TYR 85 HN TYR 85 -15.936 3.438 3.686 662 HA TYR 85 HA TYR 85 -17.105 2.080 5.941 663 1HB TYR 85 HB2 TYR 85 -16.526 1.082 3.657 664 2HB TYR 85 HB1 TYR 85 -14.855 1.024 4.216 665 HD1 TYR 85 HD2 TYR 85 -18.294 -0.214 4.852 666 HD2 TYR 85 HD1 TYR 85 -14.132 -0.586 5.846 667 HE1 TYR 85 HE2 TYR 85 -18.774 -2.318 6.074 668 HE2 TYR 85 HE1 TYR 85 -14.612 -2.690 7.068 669 HH TYR 85 HH TYR 85 -16.233 -4.392 7.227 670 H ALA 86 HN ALA 86 -13.829 3.228 5.209 671 HA ALA 86 HA ALA 86 -12.582 2.055 7.529 672 1HB ALA 86 HB2 ALA 86 -11.775 4.462 5.869 673 2HB ALA 86 HB1 ALA 86 -10.745 3.663 7.056 674 3HB ALA 86 HB3 ALA 86 -11.254 2.798 5.605 675 H LYS 87 HN LYS 87 -14.491 4.919 7.009 676 HA LYS 87 HA LYS 87 -13.639 6.452 9.272 677 1HB LYS 87 HB2 LYS 87 -15.276 7.009 7.247 678 2HB LYS 87 HB1 LYS 87 -16.504 6.501 8.408 679 1HG LYS 87 HG2 LYS 87 -16.349 8.753 8.937 680 2HG LYS 87 HG1 LYS 87 -15.141 8.089 10.039 681 1HD LYS 87 HD2 LYS 87 -13.349 8.636 8.500 682 2HD LYS 87 HD1 LYS 87 -14.507 9.138 7.268 683 1HE LYS 87 HE2 LYS 87 -13.575 11.099 8.432 684 2HE LYS 87 HE1 LYS 87 -15.302 10.945 8.754 685 1HZ LYS 87 HZ1 LYS 87 -13.196 9.869 10.543 686 2HZ LYS 87 HZ3 LYS 87 -13.909 11.393 10.749 687 3HZ LYS 87 HZ2 LYS 87 -14.860 9.990 10.865 688 H GLN 88 HN GLN 88 -16.207 4.011 8.885 689 HA GLN 88 HA GLN 88 -17.168 4.191 11.593 690 1HB GLN 88 HB2 GLN 88 -17.404 2.148 9.394 691 2HB GLN 88 HB1 GLN 88 -17.991 1.776 11.016 692 1HG GLN 88 HG2 GLN 88 -19.890 2.706 10.010 693 2HG GLN 88 HG1 GLN 88 -19.187 4.098 10.835 694 1HE2 GLN 88 HE21 GLN 88 -18.892 5.910 9.533 695 2HE2 GLN 88 HE22 GLN 88 -18.765 5.883 7.840 696 H HIS 89 HN HIS 89 -14.531 2.457 10.067 697 HA HIS 89 HA HIS 89 -13.853 1.268 12.730 698 1HB HIS 89 HB2 HIS 89 -13.478 0.179 9.935 699 2HB HIS 89 HB1 HIS 89 -12.577 -0.450 11.314 700 HD1 HIS 89 HD1 HIS 89 -13.683 -2.553 12.062 701 HD2 HIS 89 HD2 HIS 89 -16.481 0.349 11.000 702 HE1 HIS 89 HE1 HIS 89 -15.962 -3.542 12.551 703 HA PRO 90 HA PRO 90 -10.402 4.150 11.727 704 1HB PRO 90 HB2 PRO 90 -10.173 4.974 14.396 705 2HB PRO 90 HB1 PRO 90 -11.048 5.827 13.117 706 1HG PRO 90 HG2 PRO 90 -12.124 4.504 15.415 707 2HG PRO 90 HG1 PRO 90 -12.992 5.376 14.145 708 1HD PRO 90 HD2 PRO 90 -12.705 2.492 14.526 709 2HD PRO 90 HD1 PRO 90 -13.826 3.377 13.479 710 H ASP 91 HN ASP 91 -10.835 1.627 14.096 711 HA ASP 91 HA ASP 91 -8.115 1.498 15.044 712 1HB ASP 91 HB2 ASP 91 -10.183 0.416 16.099 713 2HB ASP 91 HB1 ASP 91 -10.033 -0.835 14.863 714 H GLN 92 HN GLN 92 -9.726 0.371 12.167 715 HA GLN 92 HA GLN 92 -7.497 -1.433 11.449 716 1HB GLN 92 HB2 GLN 92 -10.038 -0.673 9.975 717 2HB GLN 92 HB1 GLN 92 -8.860 -1.857 9.402 718 1HG GLN 92 HG2 GLN 92 -9.194 -3.046 11.649 719 2HG GLN 92 HG1 GLN 92 -10.605 -2.010 11.865 720 1HE2 GLN 92 HE22 GLN 92 -10.729 -4.588 8.651 721 2HE2 GLN 92 HE21 GLN 92 -9.262 -3.825 9.037 722 H GLU 93 HN GLU 93 -6.905 -1.119 8.930 723 HA GLU 93 HA GLU 93 -6.470 1.777 8.379 724 1HB GLU 93 HB2 GLU 93 -4.337 -0.379 8.431 725 2HB GLU 93 HB1 GLU 93 -4.102 1.218 7.719 726 1HG GLU 93 HG2 GLU 93 -4.472 2.301 9.841 727 2HG GLU 93 HG1 GLU 93 -4.974 0.783 10.586 728 H LEU 94 HN LEU 94 -6.081 2.219 6.115 729 HA LEU 94 HA LEU 94 -7.315 0.194 4.346 730 1HB LEU 94 HB2 LEU 94 -7.738 2.827 4.444 731 2HB LEU 94 HB1 LEU 94 -6.369 2.843 3.331 732 HG LEU 94 HG LEU 94 -8.776 1.052 2.936 733 1HD1 LEU 94 HD13 LEU 94 -8.287 3.909 2.146 734 2HD1 LEU 94 HD12 LEU 94 -9.212 2.859 1.074 735 3HD1 LEU 94 HD11 LEU 94 -9.773 3.153 2.720 736 1HD2 LEU 94 HD22 LEU 94 -6.458 1.956 1.206 737 2HD2 LEU 94 HD21 LEU 94 -6.838 0.310 1.716 738 3HD2 LEU 94 HD23 LEU 94 -7.880 1.138 0.559 739 H VAL 95 HN VAL 95 -5.893 -1.294 3.565 740 HA VAL 95 HA VAL 95 -3.180 -0.346 2.733 741 HB VAL 95 HB VAL 95 -4.082 -3.185 3.307 742 1HG1 VAL 95 HG12 VAL 95 -2.128 -2.882 1.769 743 2HG1 VAL 95 HG11 VAL 95 -1.310 -1.982 3.046 744 3HG1 VAL 95 HG13 VAL 95 -1.699 -3.686 3.280 745 1HG2 VAL 95 HG21 VAL 95 -4.159 -1.705 5.321 746 2HG2 VAL 95 HG23 VAL 95 -2.912 -2.947 5.442 747 3HG2 VAL 95 HG22 VAL 95 -2.468 -1.287 5.043 748 H ILE 96 HN ILE 96 -2.879 -0.199 0.572 749 HA ILE 96 HA ILE 96 -4.794 -1.576 -1.237 750 HB ILE 96 HB ILE 96 -2.672 0.479 -1.915 751 1HG1 ILE 96 HG12 ILE 96 -4.305 1.403 -0.307 752 2HG1 ILE 96 HG11 ILE 96 -4.520 2.120 -1.902 753 1HG2 ILE 96 HG22 ILE 96 -3.489 -0.923 -3.793 754 2HG2 ILE 96 HG21 ILE 96 -5.142 -0.439 -3.416 755 3HG2 ILE 96 HG23 ILE 96 -3.976 0.763 -3.969 756 1HD1 ILE 96 HD11 ILE 96 -6.334 0.412 -2.333 757 2HD1 ILE 96 HD13 ILE 96 -6.194 -0.072 -0.642 758 3HD1 ILE 96 HD12 ILE 96 -6.714 1.563 -1.051 759 H ALA 97 HN ALA 97 -4.175 -3.367 -2.342 760 HA ALA 97 HA ALA 97 -1.266 -4.053 -2.369 761 1HB ALA 97 HB2 ALA 97 -3.774 -5.690 -2.214 762 2HB ALA 97 HB1 ALA 97 -2.341 -6.399 -2.958 763 3HB ALA 97 HB3 ALA 97 -2.283 -5.842 -1.286 764 H GLY 98 HN GLY 98 -4.059 -3.419 -4.340 765 1HA GLY 98 HA2 GLY 98 -2.725 -2.879 -6.713 766 2HA GLY 98 HA1 GLY 98 -3.022 -4.617 -6.777 767 H GLY 99 HN GLY 99 -6.016 -3.221 -8.384 768 1HA GLY 99 HA2 GLY 99 -3.359 -4.372 -8.824 769 2HA GLY 99 HA1 GLY 99 -4.501 -3.881 -10.077 770 H ALA 100 HN ALA 100 -2.692 -2.837 -11.178 771 HA ALA 100 HA ALA 100 -1.157 -0.727 -9.969 772 1HB ALA 100 HB3 ALA 100 -0.437 -1.885 -12.029 773 2HB ALA 100 HB2 ALA 100 -1.816 -1.204 -12.892 774 3HB ALA 100 HB1 ALA 100 -0.544 -0.144 -12.289 775 H GLN 101 HN GLN 101 -4.176 -0.768 -11.842 776 HA GLN 101 HA GLN 101 -4.461 2.081 -12.032 777 1HB GLN 101 HB2 GLN 101 -6.855 1.530 -12.512 778 2HB GLN 101 HB1 GLN 101 -5.725 0.606 -13.497 779 1HG GLN 101 HG2 GLN 101 -5.981 -1.339 -12.100 780 2HG GLN 101 HG1 GLN 101 -6.901 -0.425 -10.904 781 1HE2 GLN 101 HE22 GLN 101 -9.825 -1.578 -12.524 782 2HE2 GLN 101 HE21 GLN 101 -8.911 -1.549 -11.093 783 H ILE 102 HN ILE 102 -5.140 -0.243 -9.515 784 HA ILE 102 HA ILE 102 -6.934 1.470 -7.997 785 HB ILE 102 HB ILE 102 -5.276 -0.867 -7.010 786 1HG1 ILE 102 HG12 ILE 102 -6.625 -1.514 -8.976 787 2HG1 ILE 102 HG11 ILE 102 -7.264 -2.247 -7.508 788 1HG2 ILE 102 HG23 ILE 102 -7.680 0.630 -5.972 789 2HG2 ILE 102 HG22 ILE 102 -7.344 -1.025 -5.462 790 3HG2 ILE 102 HG21 ILE 102 -6.174 0.252 -5.136 791 1HD1 ILE 102 HD11 ILE 102 -8.930 -0.381 -7.359 792 2HD1 ILE 102 HD13 ILE 102 -8.341 0.219 -8.909 793 3HD1 ILE 102 HD12 ILE 102 -9.120 -1.361 -8.813 794 H PHE 103 HN PHE 103 -3.457 0.926 -8.111 795 HA PHE 103 HA PHE 103 -2.809 2.294 -5.662 796 1HB PHE 103 HB2 PHE 103 -1.253 1.605 -8.155 797 2HB PHE 103 HB1 PHE 103 -0.528 2.566 -6.866 798 HD1 PHE 103 HD1 PHE 103 -1.381 1.483 -4.397 799 HD2 PHE 103 HD2 PHE 103 -0.575 -0.618 -8.057 800 HE1 PHE 103 HE1 PHE 103 -0.926 -0.586 -3.110 801 HE2 PHE 103 HE2 PHE 103 -0.121 -2.687 -6.768 802 HZ PHE 103 HZ PHE 103 -0.297 -2.671 -4.294 803 H THR 104 HN THR 104 -3.029 3.353 -9.053 804 HA THR 104 HA THR 104 -2.213 6.073 -8.525 805 HB THR 104 HB THR 104 -2.066 5.174 -10.781 806 HG1 THR 104 HG1 THR 104 -2.415 7.300 -10.905 807 1HG2 THR 104 HG22 THR 104 -3.944 3.583 -10.612 808 2HG2 THR 104 HG21 THR 104 -5.083 4.930 -10.625 809 3HG2 THR 104 HG23 THR 104 -4.097 4.595 -12.048 810 H ALA 105 HN ALA 105 -5.325 4.399 -8.581 811 HA ALA 105 HA ALA 105 -6.991 6.729 -8.460 812 1HB ALA 105 HB2 ALA 105 -7.451 3.899 -7.475 813 2HB ALA 105 HB1 ALA 105 -8.703 5.139 -7.534 814 3HB ALA 105 HB3 ALA 105 -7.951 4.573 -9.026 815 H PHE 106 HN PHE 106 -5.415 4.776 -5.952 816 HA PHE 106 HA PHE 106 -6.566 6.516 -3.841 817 1HB PHE 106 HB2 PHE 106 -5.053 3.914 -3.850 818 2HB PHE 106 HB1 PHE 106 -5.162 4.874 -2.374 819 HD1 PHE 106 HD1 PHE 106 -7.524 5.646 -1.633 820 HD2 PHE 106 HD2 PHE 106 -6.824 2.496 -4.468 821 HE1 PHE 106 HE1 PHE 106 -9.813 4.778 -1.233 822 HE2 PHE 106 HE2 PHE 106 -9.113 1.628 -4.068 823 HZ PHE 106 HZ PHE 106 -10.607 2.769 -2.450 824 H LYS 107 HN LYS 107 -4.035 6.780 -5.900 825 HA LYS 107 HA LYS 107 -1.855 7.432 -4.115 826 1HB LYS 107 HB2 LYS 107 -1.965 6.959 -6.755 827 2HB LYS 107 HB1 LYS 107 -2.024 8.721 -6.798 828 1HG LYS 107 HG2 LYS 107 -0.002 7.447 -5.006 829 2HG LYS 107 HG1 LYS 107 0.302 7.408 -6.743 830 1HD LYS 107 HD2 LYS 107 -0.350 9.961 -6.611 831 2HD LYS 107 HD1 LYS 107 0.088 9.775 -4.912 832 1HE LYS 107 HE2 LYS 107 2.271 8.747 -5.697 833 2HE LYS 107 HE1 LYS 107 1.835 9.256 -7.329 834 1HZ LYS 107 HZ1 LYS 107 1.417 11.489 -5.871 835 2HZ LYS 107 HZ3 LYS 107 2.777 10.822 -5.107 836 3HZ LYS 107 HZ2 LYS 107 2.820 11.161 -6.772 837 H ASP 108 HN ASP 108 -4.664 9.141 -5.229 838 HA ASP 108 HA ASP 108 -3.752 11.832 -4.902 839 1HB ASP 108 HB2 ASP 108 -5.966 10.954 -5.932 840 2HB ASP 108 HB1 ASP 108 -6.566 10.945 -4.273 841 H ASP 109 HN ASP 109 -4.626 9.366 -2.608 842 HA ASP 109 HA ASP 109 -4.092 11.305 -0.405 843 1HB ASP 109 HB2 ASP 109 -6.405 9.370 -0.639 844 2HB ASP 109 HB1 ASP 109 -5.876 10.012 0.916 845 H VAL 110 HN VAL 110 -2.023 9.887 -1.144 846 HA VAL 110 HA VAL 110 -1.990 7.377 0.470 847 HB VAL 110 HB VAL 110 -1.328 7.137 -1.897 848 1HG1 VAL 110 HG12 VAL 110 0.863 9.108 -1.180 849 2HG1 VAL 110 HG11 VAL 110 0.726 8.242 -2.710 850 3HG1 VAL 110 HG13 VAL 110 -0.499 9.427 -2.255 851 1HG2 VAL 110 HG21 VAL 110 -0.202 5.834 0.008 852 2HG2 VAL 110 HG23 VAL 110 0.671 5.891 -1.524 853 3HG2 VAL 110 HG22 VAL 110 1.162 6.934 -0.190 854 H ASP 111 HN ASP 111 -0.307 7.069 2.015 855 HA ASP 111 HA ASP 111 1.273 9.512 2.703 856 1HB ASP 111 HB2 ASP 111 0.905 8.923 5.117 857 2HB ASP 111 HB1 ASP 111 -0.574 9.398 4.281 858 H THR 112 HN THR 112 0.924 6.010 3.365 859 HA THR 112 HA THR 112 3.849 5.835 3.832 860 HB THR 112 HB THR 112 1.772 3.637 4.032 861 HG1 THR 112 HG1 THR 112 2.191 5.796 5.573 862 1HG2 THR 112 HG23 THR 112 4.601 3.973 5.055 863 2HG2 THR 112 HG22 THR 112 3.516 2.691 5.594 864 3HG2 THR 112 HG21 THR 112 4.016 2.771 3.904 865 H LEU 113 HN LEU 113 5.215 4.660 2.473 866 HA LEU 113 HA LEU 113 3.980 3.504 0.007 867 1HB LEU 113 HB2 LEU 113 6.228 5.477 0.284 868 2HB LEU 113 HB1 LEU 113 6.240 4.338 -1.062 869 HG LEU 113 HG LEU 113 3.829 6.041 -0.404 870 1HD1 LEU 113 HD12 LEU 113 6.215 6.628 -2.169 871 2HD1 LEU 113 HD11 LEU 113 4.654 7.415 -2.403 872 3HD1 LEU 113 HD13 LEU 113 5.534 7.637 -0.892 873 1HD2 LEU 113 HD23 LEU 113 3.983 3.851 -1.961 874 2HD2 LEU 113 HD22 LEU 113 2.941 5.216 -2.365 875 3HD2 LEU 113 HD21 LEU 113 4.520 5.055 -3.133 876 H LEU 114 HN LEU 114 4.228 1.401 0.976 877 HA LEU 114 HA LEU 114 6.962 0.518 1.675 878 1HB LEU 114 HB2 LEU 114 4.288 -0.914 1.715 879 2HB LEU 114 HB1 LEU 114 5.812 -1.643 2.222 880 HG LEU 114 HG LEU 114 4.810 0.952 3.404 881 1HD1 LEU 114 HD12 LEU 114 4.189 -1.902 4.178 882 2HD1 LEU 114 HD11 LEU 114 4.139 -0.593 5.358 883 3HD1 LEU 114 HD13 LEU 114 3.067 -0.559 3.958 884 1HD2 LEU 114 HD22 LEU 114 6.855 -1.145 4.173 885 2HD2 LEU 114 HD21 LEU 114 7.137 0.561 3.824 886 3HD2 LEU 114 HD23 LEU 114 6.293 0.092 5.299 887 H VAL 115 HN VAL 115 8.272 -0.383 0.169 888 HA VAL 115 HA VAL 115 7.025 -1.808 -2.133 889 HB VAL 115 HB VAL 115 7.632 0.468 -2.876 890 1HG1 VAL 115 HG12 VAL 115 9.565 0.529 -1.104 891 2HG1 VAL 115 HG11 VAL 115 10.528 -0.177 -2.401 892 3HG1 VAL 115 HG13 VAL 115 9.761 1.394 -2.628 893 1HG2 VAL 115 HG21 VAL 115 7.972 -1.651 -4.316 894 2HG2 VAL 115 HG23 VAL 115 8.792 -0.180 -4.839 895 3HG2 VAL 115 HG22 VAL 115 9.692 -1.439 -3.993 896 H THR 116 HN THR 116 8.270 -3.552 -2.927 897 HA THR 116 HA THR 116 10.598 -4.306 -1.205 898 HB THR 116 HB THR 116 8.796 -6.163 -2.783 899 HG1 THR 116 HG1 THR 116 8.033 -6.639 -0.597 900 1HG2 THR 116 HG21 THR 116 11.211 -6.802 -2.094 901 2HG2 THR 116 HG23 THR 116 10.577 -6.841 -0.449 902 3HG2 THR 116 HG22 THR 116 9.912 -7.919 -1.677 903 H ARG 117 HN ARG 117 12.393 -3.730 -2.368 904 HA ARG 117 HA ARG 117 12.429 -4.037 -5.302 905 1HB ARG 117 HB2 ARG 117 14.430 -2.962 -3.300 906 2HB ARG 117 HB1 ARG 117 14.781 -3.110 -5.022 907 1HG ARG 117 HG2 ARG 117 12.286 -1.696 -4.121 908 2HG ARG 117 HG1 ARG 117 13.832 -0.845 -4.113 909 1HD ARG 117 HD2 ARG 117 14.097 -1.680 -6.538 910 2HD ARG 117 HD1 ARG 117 12.377 -2.057 -6.465 911 HE ARG 117 HE ARG 117 11.934 0.249 -6.631 912 1HH1 ARG 117 HH21 ARG 117 15.200 -0.297 -5.577 913 2HH1 ARG 117 HH22 ARG 117 15.627 1.381 -5.643 914 1HH2 ARG 117 HH11 ARG 117 12.500 2.422 -6.712 915 2HH2 ARG 117 HH12 ARG 117 14.105 2.911 -6.282 916 H LEU 118 HN LEU 118 13.249 -5.807 -6.305 917 HA LEU 118 HA LEU 118 14.746 -7.784 -4.641 918 1HB LEU 118 HB2 LEU 118 12.800 -7.995 -6.873 919 2HB LEU 118 HB1 LEU 118 14.137 -9.145 -6.913 920 HG LEU 118 HG LEU 118 13.614 -9.685 -4.494 921 1HD1 LEU 118 HD12 LEU 118 11.162 -8.030 -5.164 922 2HD1 LEU 118 HD11 LEU 118 11.297 -9.081 -3.754 923 3HD1 LEU 118 HD13 LEU 118 12.358 -7.681 -3.916 924 1HD2 LEU 118 HD21 LEU 118 12.863 -11.076 -6.442 925 2HD2 LEU 118 HD23 LEU 118 11.766 -11.166 -5.064 926 3HD2 LEU 118 HD22 LEU 118 11.351 -10.167 -6.457 927 H ALA 119 HN ALA 119 16.841 -8.260 -5.169 928 HA ALA 119 HA ALA 119 18.228 -6.623 -7.115 929 1HB ALA 119 HB2 ALA 119 19.225 -7.554 -4.975 930 2HB ALA 119 HB1 ALA 119 19.264 -9.130 -5.767 931 3HB ALA 119 HB3 ALA 119 20.211 -7.792 -6.417 932 H GLY 120 HN GLY 120 16.833 -9.837 -7.125 933 1HA GLY 120 HA2 GLY 120 18.193 -10.758 -9.515 934 2HA GLY 120 HA1 GLY 120 16.759 -11.492 -8.798 935 H SER 121 HN SER 121 17.704 -10.266 -11.601 936 HA SER 121 HA SER 121 15.551 -8.381 -12.179 937 1HB SER 121 HB2 SER 121 16.362 -8.786 -14.585 938 2HB SER 121 HB1 SER 121 17.528 -8.081 -13.467 939 HG SER 121 HG SER 121 18.662 -9.871 -13.521 940 H PHE 122 HN PHE 122 13.643 -8.816 -13.312 941 HA PHE 122 HA PHE 122 13.120 -11.576 -14.240 942 1HB PHE 122 HB2 PHE 122 11.457 -10.187 -12.116 943 2HB PHE 122 HB1 PHE 122 10.990 -11.674 -12.943 944 HD1 PHE 122 HD1 PHE 122 12.643 -13.663 -12.834 945 HD2 PHE 122 HD2 PHE 122 12.827 -10.271 -10.205 946 HE1 PHE 122 HE1 PHE 122 13.996 -14.982 -11.227 947 HE2 PHE 122 HE2 PHE 122 14.179 -11.590 -8.598 948 HZ PHE 122 HZ PHE 122 14.763 -13.946 -9.109 949 H GLU 123 HN GLU 123 12.069 -11.431 -16.156 950 HA GLU 123 HA GLU 123 10.906 -8.839 -16.964 951 1HB GLU 123 HB2 GLU 123 12.421 -10.343 -18.430 952 2HB GLU 123 HB1 GLU 123 10.983 -11.342 -18.647 953 1HG GLU 123 HG2 GLU 123 9.765 -9.535 -19.640 954 2HG GLU 123 HG1 GLU 123 10.996 -8.362 -19.169 955 H GLY 124 HN GLY 124 8.732 -8.801 -17.978 956 1HA GLY 124 HA2 GLY 124 6.891 -11.007 -17.511 957 2HA GLY 124 HA1 GLY 124 6.657 -9.681 -16.372 958 H ASP 125 HN ASP 125 4.865 -8.607 -17.067 959 HA ASP 125 HA ASP 125 4.915 -7.489 -19.818 960 1HB ASP 125 HB2 ASP 125 2.693 -9.166 -18.636 961 2HB ASP 125 HB1 ASP 125 2.418 -8.050 -19.973 962 H THR 126 HN THR 126 3.339 -7.561 -16.630 963 HA THR 126 HA THR 126 2.269 -4.837 -17.033 964 HB THR 126 HB THR 126 2.172 -6.413 -14.462 965 HG1 THR 126 HG1 THR 126 1.443 -7.533 -16.508 966 1HG2 THR 126 HG21 THR 126 1.394 -3.933 -14.843 967 2HG2 THR 126 HG23 THR 126 0.007 -4.691 -15.624 968 3HG2 THR 126 HG22 THR 126 0.366 -5.039 -13.933 969 H LYS 127 HN LYS 127 3.197 -3.013 -16.180 970 HA LYS 127 HA LYS 127 5.664 -3.394 -14.532 971 1HB LYS 127 HB2 LYS 127 4.897 -1.218 -16.496 972 2HB LYS 127 HB1 LYS 127 6.285 -1.101 -15.414 973 1HG LYS 127 HG2 LYS 127 6.973 -3.406 -16.388 974 2HG LYS 127 HG1 LYS 127 5.829 -3.037 -17.679 975 1HD LYS 127 HD2 LYS 127 7.019 -1.005 -18.240 976 2HD LYS 127 HD1 LYS 127 8.077 -1.186 -16.841 977 1HE LYS 127 HE2 LYS 127 9.327 -1.984 -18.720 978 2HE LYS 127 HE1 LYS 127 8.801 -3.418 -17.837 979 1HZ LYS 127 HZ3 LYS 127 7.000 -2.410 -19.890 980 2HZ LYS 127 HZ2 LYS 127 8.442 -3.124 -20.435 981 3HZ LYS 127 HZ1 LYS 127 7.367 -4.008 -19.459 982 H MET 128 HN MET 128 6.092 -1.310 -13.160 983 HA MET 128 HA MET 128 3.634 -0.818 -11.590 984 1HB MET 128 HB2 MET 128 6.149 -1.329 -10.773 985 2HB MET 128 HB1 MET 128 6.225 0.432 -10.824 986 1HG MET 128 HG2 MET 128 3.892 -0.930 -9.504 987 2HG MET 128 HG1 MET 128 5.410 -0.736 -8.628 988 1HE MET 128 HE3 MET 128 3.070 0.134 -7.491 989 2HE MET 128 HE2 MET 128 2.767 1.865 -7.359 990 3HE MET 128 HE1 MET 128 2.047 0.949 -8.682 991 H ILE 129 HN ILE 129 2.728 1.234 -11.312 992 HA ILE 129 HA ILE 129 3.073 3.131 -13.450 993 HB ILE 129 HB ILE 129 1.566 4.575 -12.059 994 1HG1 ILE 129 HG12 ILE 129 1.514 2.264 -10.112 995 2HG1 ILE 129 HG11 ILE 129 2.592 3.641 -9.882 996 1HG2 ILE 129 HG21 ILE 129 0.828 2.590 -13.554 997 2HG2 ILE 129 HG23 ILE 129 0.549 1.735 -12.037 998 3HG2 ILE 129 HG22 ILE 129 -0.339 3.218 -12.389 999 1HD1 ILE 129 HD11 ILE 129 0.395 5.045 -10.277 1000 2HD1 ILE 129 HD13 ILE 129 -0.406 3.548 -9.800 1001 3HD1 ILE 129 HD12 ILE 129 0.715 4.339 -8.692 1002 HA PRO 130 HA PRO 130 6.226 5.799 -11.796 1003 1HB PRO 130 HB2 PRO 130 5.273 8.245 -12.765 1004 2HB PRO 130 HB1 PRO 130 6.265 7.091 -13.664 1005 1HG PRO 130 HG2 PRO 130 3.529 7.802 -14.119 1006 2HG PRO 130 HG1 PRO 130 4.535 6.670 -15.033 1007 1HD PRO 130 HD2 PRO 130 2.457 6.102 -13.056 1008 2HD PRO 130 HD1 PRO 130 3.234 5.006 -14.211 1009 H LEU 131 HN LEU 131 6.150 6.044 -9.580 1010 HA LEU 131 HA LEU 131 3.962 7.607 -8.345 1011 1HB LEU 131 HB2 LEU 131 6.268 6.023 -7.177 1012 2HB LEU 131 HB1 LEU 131 5.102 6.917 -6.202 1013 HG LEU 131 HG LEU 131 4.230 4.868 -8.242 1014 1HD1 LEU 131 HD11 LEU 131 5.213 4.502 -5.427 1015 2HD1 LEU 131 HD13 LEU 131 3.917 3.470 -6.031 1016 3HD1 LEU 131 HD12 LEU 131 5.484 3.485 -6.842 1017 1HD2 LEU 131 HD22 LEU 131 2.977 6.242 -5.852 1018 2HD2 LEU 131 HD21 LEU 131 2.450 6.303 -7.534 1019 3HD2 LEU 131 HD23 LEU 131 2.262 4.816 -6.604 1020 H ASN 132 HN ASN 132 4.436 9.439 -6.955 1021 HA ASN 132 HA ASN 132 6.656 11.076 -7.992 1022 1HB ASN 132 HB2 ASN 132 4.214 11.852 -7.473 1023 2HB ASN 132 HB1 ASN 132 4.775 11.930 -5.802 1024 1HD2 ASN 132 HD22 ASN 132 6.528 14.468 -8.536 1025 2HD2 ASN 132 HD21 ASN 132 5.933 12.970 -9.068 1026 H TRP 133 HN TRP 133 8.430 9.873 -7.047 1027 HA TRP 133 HA TRP 133 8.618 9.495 -4.172 1028 1HB TRP 133 HB2 TRP 133 10.759 9.411 -6.319 1029 2HB TRP 133 HB1 TRP 133 10.962 8.857 -4.656 1030 HD1 TRP 133 HD1 TRP 133 9.555 7.845 -7.989 1031 HE1 TRP 133 HE1 TRP 133 8.576 5.465 -7.830 1032 HE3 TRP 133 HE3 TRP 133 9.717 7.160 -2.931 1033 HZ2 TRP 133 HZ2 TRP 133 7.945 3.526 -5.823 1034 HZ3 TRP 133 HZ3 TRP 133 8.921 5.041 -1.923 1035 HH2 TRP 133 HH2 TRP 133 8.036 3.224 -3.361 1036 H ASP 134 HN ASP 134 9.118 12.162 -6.263 1037 HA ASP 134 HA ASP 134 11.174 13.506 -4.711 1038 1HB ASP 134 HB2 ASP 134 10.511 13.932 -7.169 1039 2HB ASP 134 HB1 ASP 134 9.173 14.875 -6.511 1040 H ASP 135 HN ASP 135 8.277 12.618 -3.663 1041 HA ASP 135 HA ASP 135 7.947 15.076 -2.001 1042 1HB ASP 135 HB2 ASP 135 6.192 14.823 -3.866 1043 2HB ASP 135 HB1 ASP 135 5.602 13.429 -2.961 1044 H PHE 136 HN PHE 136 9.271 12.455 -1.536 1045 HA PHE 136 HA PHE 136 7.771 11.729 0.929 1046 1HB PHE 136 HB2 PHE 136 8.651 9.848 -1.263 1047 2HB PHE 136 HB1 PHE 136 8.421 9.286 0.393 1048 HD1 PHE 136 HD2 PHE 136 6.161 9.787 1.527 1049 HD2 PHE 136 HD1 PHE 136 6.805 10.102 -2.708 1050 HE1 PHE 136 HE2 PHE 136 3.714 9.658 1.145 1051 HE2 PHE 136 HE1 PHE 136 4.358 9.973 -3.089 1052 HZ PHE 136 HZ PHE 136 2.813 9.752 -1.162 1053 H THR 137 HN THR 137 9.280 10.132 2.243 1054 HA THR 137 HA THR 137 12.154 10.672 1.824 1055 HB THR 137 HB THR 137 10.885 11.373 4.477 1056 HG1 THR 137 HG1 THR 137 10.082 12.952 3.294 1057 1HG2 THR 137 HG23 THR 137 13.357 10.819 4.260 1058 2HG2 THR 137 HG22 THR 137 13.504 12.258 3.252 1059 3HG2 THR 137 HG21 THR 137 12.995 12.408 4.933 1060 H LYS 138 HN LYS 138 13.353 8.940 2.506 1061 HA LYS 138 HA LYS 138 12.009 6.559 3.447 1062 1HB LYS 138 HB2 LYS 138 14.207 6.804 2.043 1063 2HB LYS 138 HB1 LYS 138 14.988 6.952 3.618 1064 1HG LYS 138 HG2 LYS 138 13.796 4.811 4.288 1065 2HG LYS 138 HG1 LYS 138 13.332 4.634 2.595 1066 1HD LYS 138 HD2 LYS 138 16.213 5.082 3.349 1067 2HD LYS 138 HD1 LYS 138 15.513 3.463 3.404 1068 1HE LYS 138 HE2 LYS 138 16.360 3.576 1.219 1069 2HE LYS 138 HE1 LYS 138 14.667 4.015 0.996 1070 1HZ LYS 138 HZ3 LYS 138 15.851 6.380 1.575 1071 2HZ LYS 138 HZ2 LYS 138 17.032 5.602 0.633 1072 3HZ LYS 138 HZ1 LYS 138 15.465 5.832 0.017 1073 H VAL 139 HN VAL 139 12.327 5.505 5.503 1074 HA VAL 139 HA VAL 139 13.522 7.133 7.676 1075 HB VAL 139 HB VAL 139 11.475 6.771 9.082 1076 1HG1 VAL 139 HG13 VAL 139 11.941 8.887 7.766 1077 2HG1 VAL 139 HG12 VAL 139 10.867 8.260 6.515 1078 3HG1 VAL 139 HG11 VAL 139 10.237 8.602 8.127 1079 1HG2 VAL 139 HG22 VAL 139 10.299 5.898 6.421 1080 2HG2 VAL 139 HG21 VAL 139 10.550 4.863 7.828 1081 3HG2 VAL 139 HG23 VAL 139 9.376 6.178 7.898 1082 H SER 140 HN SER 140 12.225 4.084 6.498 1083 HA SER 140 HA SER 140 13.966 2.669 8.455 1084 1HB SER 140 HB2 SER 140 11.134 1.794 7.832 1085 2HB SER 140 HB1 SER 140 12.233 1.086 9.014 1086 HG SER 140 HG SER 140 11.397 2.475 10.343 1087 H SER 141 HN SER 141 14.880 0.772 7.624 1088 HA SER 141 HA SER 141 14.010 -0.150 4.939 1089 1HB SER 141 HB2 SER 141 15.875 1.587 4.730 1090 2HB SER 141 HB1 SER 141 16.921 0.422 5.538 1091 HG SER 141 HG SER 141 15.456 -0.679 3.517 1092 H ARG 142 HN ARG 142 13.406 -2.168 5.715 1093 HA ARG 142 HA ARG 142 15.211 -3.673 7.491 1094 1HB ARG 142 HB2 ARG 142 12.579 -3.665 7.463 1095 2HB ARG 142 HB1 ARG 142 12.783 -4.859 6.181 1096 1HG ARG 142 HG2 ARG 142 14.293 -5.139 8.771 1097 2HG ARG 142 HG1 ARG 142 12.622 -5.695 8.648 1098 1HD ARG 142 HD2 ARG 142 13.406 -6.928 6.507 1099 2HD ARG 142 HD1 ARG 142 15.038 -6.662 7.124 1100 HE ARG 142 HE ARG 142 13.145 -7.899 9.017 1101 1HH1 ARG 142 HH21 ARG 142 15.677 -8.291 6.671 1102 2HH1 ARG 142 HH22 ARG 142 16.124 -9.864 7.242 1103 1HH2 ARG 142 HH11 ARG 142 13.735 -9.941 9.748 1104 2HH2 ARG 142 HH12 ARG 142 15.030 -10.793 8.976 1105 H THR 143 HN THR 143 17.039 -4.215 6.288 1106 HA THR 143 HA THR 143 16.842 -5.262 3.573 1107 HB THR 143 HB THR 143 19.225 -5.497 5.420 1108 HG1 THR 143 HG1 THR 143 18.009 -3.286 4.347 1109 1HG2 THR 143 HG21 THR 143 19.095 -6.626 3.112 1110 2HG2 THR 143 HG23 THR 143 19.150 -4.994 2.446 1111 3HG2 THR 143 HG22 THR 143 20.492 -5.595 3.419 1112 H VAL 144 HN VAL 144 17.167 -7.439 2.937 1113 HA VAL 144 HA VAL 144 17.453 -9.511 5.013 1114 HB VAL 144 HB VAL 144 15.022 -9.072 4.977 1115 1HG1 VAL 144 HG11 VAL 144 15.005 -8.227 2.599 1116 2HG1 VAL 144 HG13 VAL 144 15.117 -9.905 2.066 1117 3HG1 VAL 144 HG12 VAL 144 13.707 -9.361 2.976 1118 1HG2 VAL 144 HG21 VAL 144 15.920 -11.406 5.275 1119 2HG2 VAL 144 HG23 VAL 144 14.289 -11.354 4.608 1120 3HG2 VAL 144 HG22 VAL 144 15.665 -11.672 3.551 1121 H GLU 145 HN GLU 145 18.691 -11.132 4.195 1122 HA GLU 145 HA GLU 145 19.056 -11.241 1.233 1123 1HB GLU 145 HB2 GLU 145 20.838 -12.259 3.470 1124 2HB GLU 145 HB1 GLU 145 21.196 -12.383 1.748 1125 1HG GLU 145 HG2 GLU 145 20.904 -9.827 1.677 1126 2HG GLU 145 HG1 GLU 145 21.002 -9.888 3.437 1127 H ASP 146 HN ASP 146 18.072 -12.920 0.239 1128 HA ASP 146 HA ASP 146 16.975 -15.148 1.786 1129 1HB ASP 146 HB2 ASP 146 16.008 -13.988 -0.363 1130 2HB ASP 146 HB1 ASP 146 17.087 -15.094 -1.218 1131 H THR 147 HN THR 147 17.339 -17.318 0.089 1132 HA THR 147 HA THR 147 20.028 -18.153 0.812 1133 HB THR 147 HB THR 147 19.329 -20.215 -0.590 1134 HG1 THR 147 HG1 THR 147 17.687 -18.976 -1.709 1135 1HG2 THR 147 HG21 THR 147 19.172 -19.913 1.935 1136 2HG2 THR 147 HG23 THR 147 17.483 -19.468 1.685 1137 3HG2 THR 147 HG22 THR 147 18.047 -21.078 1.235 1138 H ASN 148 HN ASN 148 18.375 -17.351 -2.238 1139 HA ASN 148 HA ASN 148 20.957 -17.620 -3.682 1140 1HB ASN 148 HB2 ASN 148 18.801 -18.642 -4.576 1141 2HB ASN 148 HB1 ASN 148 18.242 -16.993 -4.864 1142 1HD2 ASN 148 HD22 ASN 148 21.275 -18.511 -7.184 1143 2HD2 ASN 148 HD21 ASN 148 20.913 -19.248 -5.698 1144 HA PRO 149 HA PRO 149 21.906 -13.268 -3.494 1145 1HB PRO 149 HB2 PRO 149 22.736 -13.255 -6.279 1146 2HB PRO 149 HB1 PRO 149 23.729 -13.124 -4.822 1147 1HG PRO 149 HG2 PRO 149 23.389 -15.386 -6.550 1148 2HG PRO 149 HG1 PRO 149 24.439 -15.227 -5.135 1149 1HD PRO 149 HD2 PRO 149 22.147 -16.835 -5.328 1150 2HD PRO 149 HD1 PRO 149 23.017 -16.421 -3.844 1151 H ALA 150 HN ALA 150 20.401 -14.399 -6.541 1152 HA ALA 150 HA ALA 150 19.248 -11.889 -7.268 1153 1HB ALA 150 HB1 ALA 150 19.457 -13.828 -8.814 1154 2HB ALA 150 HB3 ALA 150 18.215 -14.672 -7.890 1155 3HB ALA 150 HB2 ALA 150 17.813 -13.194 -8.763 1156 H LEU 151 HN LEU 151 18.203 -14.408 -5.055 1157 HA LEU 151 HA LEU 151 15.492 -13.360 -4.776 1158 1HB LEU 151 HB2 LEU 151 17.124 -15.422 -3.294 1159 2HB LEU 151 HB1 LEU 151 15.540 -14.913 -2.708 1160 HG LEU 151 HG LEU 151 15.999 -15.870 -5.540 1161 1HD1 LEU 151 HD12 LEU 151 16.564 -17.590 -3.729 1162 2HD1 LEU 151 HD11 LEU 151 14.862 -17.515 -3.272 1163 3HD1 LEU 151 HD13 LEU 151 15.318 -18.060 -4.886 1164 1HD2 LEU 151 HD21 LEU 151 13.559 -15.464 -3.785 1165 2HD2 LEU 151 HD23 LEU 151 13.974 -14.576 -5.252 1166 3HD2 LEU 151 HD22 LEU 151 13.513 -16.276 -5.351 1167 H THR 152 HN THR 152 18.121 -11.769 -4.128 1168 HA THR 152 HA THR 152 17.689 -11.093 -1.292 1169 HB THR 152 HB THR 152 19.531 -9.790 -3.320 1170 HG1 THR 152 HG1 THR 152 20.864 -11.265 -1.638 1171 1HG2 THR 152 HG23 THR 152 18.848 -8.692 -1.026 1172 2HG2 THR 152 HG22 THR 152 19.956 -9.886 -0.353 1173 3HG2 THR 152 HG21 THR 152 20.539 -8.704 -1.525 1174 H HIS 153 HN HIS 153 16.675 -9.232 -0.570 1175 HA HIS 153 HA HIS 153 15.967 -7.085 -2.446 1176 1HB HIS 153 HB2 HIS 153 13.518 -7.279 -1.926 1177 2HB HIS 153 HB1 HIS 153 14.138 -8.624 -2.883 1178 HD1 HIS 153 HD1 HIS 153 14.938 -10.774 -1.316 1179 HD2 HIS 153 HD2 HIS 153 12.183 -8.120 0.341 1180 HE1 HIS 153 HE1 HIS 153 13.841 -11.993 0.614 1181 H THR 154 HN THR 154 14.570 -5.403 -1.176 1182 HA THR 154 HA THR 154 15.217 -5.440 1.730 1183 HB THR 154 HB THR 154 15.730 -3.035 -0.040 1184 HG1 THR 154 HG1 THR 154 17.590 -3.876 -0.450 1185 1HG2 THR 154 HG22 THR 154 15.249 -3.017 2.581 1186 2HG2 THR 154 HG21 THR 154 16.950 -3.483 2.649 1187 3HG2 THR 154 HG23 THR 154 16.480 -1.973 1.867 1188 H TYR 155 HN TYR 155 13.568 -4.608 2.960 1189 HA TYR 155 HA TYR 155 11.111 -3.782 1.561 1190 1HB TYR 155 HB2 TYR 155 11.694 -4.149 4.517 1191 2HB TYR 155 HB1 TYR 155 10.100 -3.856 3.820 1192 HD1 TYR 155 HD2 TYR 155 9.504 -5.495 1.775 1193 HD2 TYR 155 HD1 TYR 155 12.292 -6.362 4.926 1194 HE1 TYR 155 HE2 TYR 155 9.247 -7.922 1.336 1195 HE2 TYR 155 HE1 TYR 155 12.035 -8.789 4.487 1196 HH TYR 155 HH TYR 155 10.633 -10.013 1.702 1197 H GLU 156 HN GLU 156 11.623 -1.694 0.772 1198 HA GLU 156 HA GLU 156 12.725 0.370 2.501 1199 1HB GLU 156 HB2 GLU 156 11.427 0.432 -0.234 1200 2HB GLU 156 HB1 GLU 156 12.025 1.882 0.574 1201 1HG GLU 156 HG2 GLU 156 14.255 0.655 0.820 1202 2HG GLU 156 HG1 GLU 156 13.611 -0.536 -0.309 1203 H VAL 157 HN VAL 157 11.590 2.124 3.435 1204 HA VAL 157 HA VAL 157 8.615 2.017 3.332 1205 HB VAL 157 HB VAL 157 10.206 2.245 5.905 1206 1HG1 VAL 157 HG11 VAL 157 7.252 2.092 5.254 1207 2HG1 VAL 157 HG13 VAL 157 7.894 1.829 6.876 1208 3HG1 VAL 157 HG12 VAL 157 8.103 3.393 6.087 1209 1HG2 VAL 157 HG21 VAL 157 8.936 -0.078 4.487 1210 2HG2 VAL 157 HG23 VAL 157 10.460 -0.013 5.371 1211 3HG2 VAL 157 HG22 VAL 157 8.931 -0.041 6.250 1212 H TRP 158 HN TRP 158 8.408 3.979 2.270 1213 HA TRP 158 HA TRP 158 9.905 6.331 3.285 1214 1HB TRP 158 HB2 TRP 158 8.051 6.008 0.904 1215 2HB TRP 158 HB1 TRP 158 8.930 7.483 1.307 1216 HD1 TRP 158 HD1 TRP 158 9.804 3.744 0.767 1217 HE1 TRP 158 HE1 TRP 158 12.038 3.627 -0.516 1218 HE3 TRP 158 HE3 TRP 158 10.853 8.726 0.365 1219 HZ2 TRP 158 HZ2 TRP 158 14.008 5.411 -1.573 1220 HZ3 TRP 158 HZ3 TRP 158 12.913 9.489 -0.783 1221 HH2 TRP 158 HH2 TRP 158 14.490 7.840 -1.752 1222 H GLN 159 HN GLN 159 8.598 8.388 3.563 1223 HA GLN 159 HA GLN 159 5.777 7.972 4.352 1224 1HB GLN 159 HB2 GLN 159 7.964 8.841 6.260 1225 2HB GLN 159 HB1 GLN 159 6.248 9.107 6.575 1226 1HG GLN 159 HG2 GLN 159 5.960 6.581 6.146 1227 2HG GLN 159 HG1 GLN 159 7.714 6.480 6.311 1228 1HE2 GLN 159 HE22 GLN 159 5.567 6.485 9.638 1229 2HE2 GLN 159 HE21 GLN 159 4.990 6.041 8.104 1230 H LYS 160 HN LYS 160 4.575 9.859 4.140 1231 HA LYS 160 HA LYS 160 5.635 11.988 2.549 1232 1HB LYS 160 HB2 LYS 160 3.181 11.270 2.821 1233 2HB LYS 160 HB1 LYS 160 3.188 12.220 4.308 1234 1HG LYS 160 HG2 LYS 160 4.168 14.118 2.816 1235 2HG LYS 160 HG1 LYS 160 3.543 13.162 1.471 1236 1HD LYS 160 HD2 LYS 160 1.294 13.211 2.446 1237 2HD LYS 160 HD1 LYS 160 1.901 14.109 3.838 1238 1HE LYS 160 HE2 LYS 160 2.319 16.045 2.562 1239 2HE LYS 160 HE1 LYS 160 2.290 15.156 1.040 1240 1HZ LYS 160 HZ2 LYS 160 -0.094 15.331 2.776 1241 2HZ LYS 160 HZ1 LYS 160 0.257 16.535 1.630 1242 3HZ LYS 160 HZ3 LYS 160 -0.012 14.938 1.125 1243 H LYS 161 HN LYS 161 6.628 13.875 3.134 1244 HA LYS 161 HA LYS 161 6.519 14.732 5.983 1245 1HB LYS 161 HB2 LYS 161 8.606 13.328 5.472 1246 2HB LYS 161 HB1 LYS 161 9.120 14.667 4.443 1247 1HG LYS 161 HG2 LYS 161 8.901 16.207 6.386 1248 2HG LYS 161 HG1 LYS 161 8.486 14.827 7.404 1249 1HD LYS 161 HD2 LYS 161 10.702 13.790 6.569 1250 2HD LYS 161 HD1 LYS 161 11.108 15.423 6.037 1251 1HE LYS 161 HE2 LYS 161 10.602 16.216 8.383 1252 2HE LYS 161 HE1 LYS 161 10.468 14.522 8.857 1253 1HZ LYS 161 HZ1 LYS 161 12.854 15.353 7.382 1254 2HZ LYS 161 HZ3 LYS 161 12.733 15.814 9.010 1255 3HZ LYS 161 HZ2 LYS 161 12.681 14.169 8.587 1256 H ALA 162 HN ALA 162 7.106 17.008 6.252 1257 HA ALA 162 HA ALA 162 6.292 18.619 3.931 1258 1HB ALA 162 HB2 ALA 162 5.529 19.064 6.311 1259 2HB ALA 162 HB1 ALA 162 7.174 19.595 6.660 1260 3HB ALA 162 HB3 ALA 162 6.201 20.464 5.474 1261 1H9 TMQ 170 H91 TMQ 170 -0.245 -10.400 -5.789 1262 2H9 TMQ 170 H92 TMQ 170 -0.905 -11.388 -4.478 1263 HN1 TMQ 170 H1N TMQ 170 1.130 -12.189 -6.404 1264 1H17 TMQ 170 HM1 TMQ 170 -1.294 -8.185 -3.118 1265 2H17 TMQ 170 HM2 TMQ 170 -0.396 -7.454 -4.457 1266 3H17 TMQ 170 HM3 TMQ 170 -1.171 -9.025 -4.664 1267 1H21 TMQ 170 HW11 TMQ 170 -0.512 -14.330 0.088 1268 2H21 TMQ 170 HW12 TMQ 170 0.483 -13.597 -1.182 1269 3H21 TMQ 170 HW13 TMQ 170 -1.262 -13.298 -1.140 1270 1H22 TMQ 170 HI1 TMQ 170 1.907 -17.634 -3.129 1271 2H22 TMQ 170 HI2 TMQ 170 1.046 -16.928 -1.751 1272 3H22 TMQ 170 HI3 TMQ 170 0.883 -18.655 -2.107 1273 1H23 TMQ 170 HW21 TMQ 170 2.609 -16.476 -6.712 1274 2H23 TMQ 170 HW22 TMQ 170 1.951 -17.880 -7.568 1275 3H23 TMQ 170 HW23 TMQ 170 1.237 -16.279 -7.812 1276 1HN2 TMQ 170 HN21 TMQ 170 5.177 -7.485 0.401 1277 2HN2 TMQ 170 HN22 TMQ 170 4.249 -6.032 0.568 1278 1HN5 TMQ 170 HN41 TMQ 170 0.378 -5.371 -1.646 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.339 -6.485 -2.724 1280 HN TMQ 170 H1 TMQ 170 4.446 -9.148 -0.984 1281 H7 TMQ 170 H7 TMQ 170 2.315 -12.046 -3.968 1282 H8 TMQ 170 H8 TMQ 170 3.879 -11.030 -2.376 1283 H12 TMQ 170 HP2 TMQ 170 -0.270 -12.797 -3.101 1284 H16 TMQ 170 HP6 TMQ 170 1.050 -14.557 -6.820 No H/Q in entry = 1284 Start of MODEL 17 1 1H THR 1 HT2 THR 1 -3.434 5.731 5.052 2 2H THR 1 HT1 THR 1 -3.409 6.988 3.910 3 3H THR 1 HT3 THR 1 -4.884 6.280 4.358 4 HA THR 1 HA THR 1 -4.463 4.320 3.213 5 HB THR 1 HB THR 1 -3.057 6.359 1.484 6 HG1 THR 1 HG1 THR 1 -5.039 7.086 2.682 7 1HG2 THR 1 HG21 THR 1 -3.407 3.988 0.700 8 2HG2 THR 1 HG23 THR 1 -5.144 4.266 0.828 9 3HG2 THR 1 HG22 THR 1 -4.182 5.207 -0.312 10 H ALA 2 HN ALA 2 -2.975 2.756 2.427 11 HA ALA 2 HA ALA 2 -0.082 3.347 2.826 12 1HB ALA 2 HB3 ALA 2 -1.556 0.934 3.927 13 2HB ALA 2 HB2 ALA 2 0.193 1.158 3.966 14 3HB ALA 2 HB1 ALA 2 -0.855 2.243 4.879 15 H PHE 3 HN PHE 3 1.016 2.740 1.033 16 HA PHE 3 HA PHE 3 -0.301 0.917 -0.902 17 1HB PHE 3 HB2 PHE 3 1.961 2.895 -1.050 18 2HB PHE 3 HB1 PHE 3 1.816 1.636 -2.276 19 HD1 PHE 3 HD2 PHE 3 -0.633 3.805 -0.421 20 HD2 PHE 3 HD1 PHE 3 0.809 2.412 -4.219 21 HE1 PHE 3 HE2 PHE 3 -2.395 5.117 -1.570 22 HE2 PHE 3 HE1 PHE 3 -0.953 3.725 -5.369 23 HZ PHE 3 HZ PHE 3 -2.554 5.078 -4.044 24 H LEU 4 HN LEU 4 0.834 -0.932 -1.747 25 HA LEU 4 HA LEU 4 3.377 -1.776 -0.600 26 1HB LEU 4 HB2 LEU 4 1.760 -2.282 1.249 27 2HB LEU 4 HB1 LEU 4 0.887 -3.342 0.142 28 HG LEU 4 HG LEU 4 3.200 -4.478 -0.229 29 1HD1 LEU 4 HD11 LEU 4 3.637 -2.794 2.229 30 2HD1 LEU 4 HD13 LEU 4 4.485 -4.328 2.035 31 3HD1 LEU 4 HD12 LEU 4 4.711 -3.039 0.852 32 1HD2 LEU 4 HD22 LEU 4 1.542 -4.688 2.294 33 2HD2 LEU 4 HD21 LEU 4 1.446 -5.694 0.849 34 3HD2 LEU 4 HD23 LEU 4 2.841 -5.822 1.922 35 H TRP 5 HN TRP 5 4.244 -2.498 -2.496 36 HA TRP 5 HA TRP 5 2.806 -4.652 -3.936 37 1HB TRP 5 HB2 TRP 5 3.155 -3.590 -6.119 38 2HB TRP 5 HB1 TRP 5 2.190 -2.539 -5.087 39 HD1 TRP 5 HD1 TRP 5 5.197 -2.546 -7.200 40 HE1 TRP 5 HE1 TRP 5 6.579 -0.400 -6.847 41 HE3 TRP 5 HE3 TRP 5 2.971 -0.739 -2.968 42 HZ2 TRP 5 HZ2 TRP 5 6.727 1.789 -5.017 43 HZ3 TRP 5 HZ3 TRP 5 3.757 1.376 -1.943 44 HH2 TRP 5 HH2 TRP 5 5.629 2.641 -2.963 45 H ALA 6 HN ALA 6 4.219 -6.041 -5.118 46 HA ALA 6 HA ALA 6 7.059 -5.838 -4.259 47 1HB ALA 6 HB3 ALA 6 5.404 -8.109 -5.391 48 2HB ALA 6 HB2 ALA 6 7.146 -8.224 -5.139 49 3HB ALA 6 HB1 ALA 6 6.070 -7.973 -3.764 50 H GLN 7 HN GLN 7 8.433 -4.922 -5.699 51 HA GLN 7 HA GLN 7 8.074 -5.537 -8.592 52 1HB GLN 7 HB2 GLN 7 8.641 -3.148 -9.112 53 2HB GLN 7 HB1 GLN 7 7.086 -3.336 -8.301 54 1HG GLN 7 HG2 GLN 7 7.896 -2.508 -6.268 55 2HG GLN 7 HG1 GLN 7 9.574 -2.874 -6.676 56 1HE2 GLN 7 HE21 GLN 7 10.005 -1.657 -9.084 57 2HE2 GLN 7 HE22 GLN 7 9.686 0.008 -9.001 58 H ASP 8 HN ASP 8 10.055 -5.420 -9.804 59 HA ASP 8 HA ASP 8 12.480 -5.641 -8.082 60 1HB ASP 8 HB2 ASP 8 13.473 -6.767 -10.115 61 2HB ASP 8 HB1 ASP 8 12.110 -7.628 -9.403 62 H ARG 9 HN ARG 9 14.545 -4.882 -9.280 63 HA ARG 9 HA ARG 9 14.349 -2.083 -9.797 64 1HB ARG 9 HB2 ARG 9 16.712 -2.312 -10.611 65 2HB ARG 9 HB1 ARG 9 16.441 -3.059 -9.036 66 1HG ARG 9 HG2 ARG 9 16.488 -5.235 -9.916 67 2HG ARG 9 HG1 ARG 9 16.148 -4.680 -11.556 68 1HD ARG 9 HD2 ARG 9 18.684 -3.888 -10.124 69 2HD ARG 9 HD1 ARG 9 18.573 -5.396 -11.033 70 HE ARG 9 HE ARG 9 17.716 -3.035 -12.541 71 1HH1 ARG 9 HH11 ARG 9 20.349 -5.108 -11.625 72 2HH1 ARG 9 HH12 ARG 9 21.313 -4.690 -13.001 73 1HH2 ARG 9 HH21 ARG 9 18.977 -2.500 -14.323 74 2HH2 ARG 9 HH22 ARG 9 20.540 -3.220 -14.520 75 H ASP 10 HN ASP 10 13.785 -4.795 -11.841 76 HA ASP 10 HA ASP 10 14.379 -3.458 -14.361 77 1HB ASP 10 HB2 ASP 10 13.015 -6.021 -13.574 78 2HB ASP 10 HB1 ASP 10 12.894 -5.430 -15.231 79 H GLY 11 HN GLY 11 12.278 -2.466 -12.224 80 1HA GLY 11 HA2 GLY 11 10.289 -1.227 -12.328 81 2HA GLY 11 HA1 GLY 11 10.560 -1.120 -14.069 82 H LEU 12 HN LEU 12 10.138 -4.092 -12.179 83 HA LEU 12 HA LEU 12 7.679 -4.640 -13.794 84 1HB LEU 12 HB2 LEU 12 9.890 -6.127 -13.873 85 2HB LEU 12 HB1 LEU 12 9.179 -6.832 -12.420 86 HG LEU 12 HG LEU 12 7.009 -7.037 -13.786 87 1HD1 LEU 12 HD12 LEU 12 9.012 -6.619 -16.027 88 2HD1 LEU 12 HD11 LEU 12 7.341 -7.145 -16.235 89 3HD1 LEU 12 HD13 LEU 12 7.687 -5.530 -15.615 90 1HD2 LEU 12 HD21 LEU 12 8.845 -8.837 -13.239 91 2HD2 LEU 12 HD23 LEU 12 7.608 -9.203 -14.442 92 3HD2 LEU 12 HD22 LEU 12 9.220 -8.706 -14.957 93 H ILE 13 HN ILE 13 6.046 -6.021 -12.637 94 HA ILE 13 HA ILE 13 6.123 -5.708 -9.675 95 HB ILE 13 HB ILE 13 3.722 -4.986 -9.744 96 1HG1 ILE 13 HG12 ILE 13 4.266 -4.563 -12.698 97 2HG1 ILE 13 HG11 ILE 13 3.321 -5.909 -12.060 98 1HG2 ILE 13 HG23 ILE 13 5.796 -3.277 -11.142 99 2HG2 ILE 13 HG22 ILE 13 4.236 -2.659 -10.601 100 3HG2 ILE 13 HG21 ILE 13 5.394 -3.281 -9.425 101 1HD1 ILE 13 HD13 ILE 13 1.876 -4.157 -10.886 102 2HD1 ILE 13 HD12 ILE 13 2.692 -2.956 -11.887 103 3HD1 ILE 13 HD11 ILE 13 1.730 -4.225 -12.642 104 H GLY 14 HN GLY 14 4.869 -7.326 -12.530 105 1HA GLY 14 HA2 GLY 14 4.596 -9.830 -11.091 106 2HA GLY 14 HA1 GLY 14 3.024 -9.128 -11.479 107 H LYS 15 HN LYS 15 2.905 -11.194 -12.802 108 HA LYS 15 HA LYS 15 3.325 -10.587 -15.588 109 1HB LYS 15 HB2 LYS 15 5.663 -11.234 -14.835 110 2HB LYS 15 HB1 LYS 15 5.029 -12.847 -14.511 111 1HG LYS 15 HG2 LYS 15 4.223 -12.936 -16.891 112 2HG LYS 15 HG1 LYS 15 5.061 -11.410 -17.179 113 1HD LYS 15 HD2 LYS 15 6.699 -12.930 -17.822 114 2HD LYS 15 HD1 LYS 15 7.114 -12.695 -16.124 115 1HE LYS 15 HE2 LYS 15 5.157 -14.845 -16.879 116 2HE LYS 15 HE1 LYS 15 6.885 -15.136 -17.077 117 1HZ LYS 15 HZ2 LYS 15 7.049 -14.271 -14.689 118 2HZ LYS 15 HZ1 LYS 15 5.378 -14.572 -14.604 119 3HZ LYS 15 HZ3 LYS 15 6.452 -15.844 -14.930 120 H ASP 16 HN ASP 16 1.513 -11.475 -16.430 121 HA ASP 16 HA ASP 16 -0.231 -12.987 -16.838 122 1HB ASP 16 HB2 ASP 16 2.101 -14.689 -16.118 123 2HB ASP 16 HB1 ASP 16 0.517 -15.463 -16.048 124 H GLY 17 HN GLY 17 -0.066 -11.593 -14.255 125 1HA GLY 17 HA2 GLY 17 -1.681 -11.610 -12.480 126 2HA GLY 17 HA1 GLY 17 -1.940 -13.331 -12.764 127 H HIS 18 HN HIS 18 0.248 -14.633 -12.397 128 HA HIS 18 HA HIS 18 0.957 -14.218 -9.606 129 1HB HIS 18 HB2 HIS 18 2.458 -16.195 -9.986 130 2HB HIS 18 HB1 HIS 18 0.783 -16.490 -10.454 131 HD1 HIS 18 HD1 HIS 18 4.149 -15.641 -11.988 132 HD2 HIS 18 HD2 HIS 18 0.424 -17.104 -13.157 133 HE1 HIS 18 HE1 HIS 18 4.389 -16.363 -14.404 134 H LEU 19 HN LEU 19 3.417 -14.342 -9.040 135 HA LEU 19 HA LEU 19 4.704 -12.059 -10.372 136 1HB LEU 19 HB2 LEU 19 5.459 -13.755 -7.979 137 2HB LEU 19 HB1 LEU 19 6.469 -12.445 -8.589 138 HG LEU 19 HG LEU 19 3.563 -11.962 -7.974 139 1HD1 LEU 19 HD12 LEU 19 5.894 -12.022 -6.044 140 2HD1 LEU 19 HD11 LEU 19 4.413 -11.120 -5.719 141 3HD1 LEU 19 HD13 LEU 19 4.355 -12.873 -5.907 142 1HD2 LEU 19 HD22 LEU 19 6.048 -10.372 -8.453 143 2HD2 LEU 19 HD21 LEU 19 4.400 -10.071 -9.006 144 3HD2 LEU 19 HD23 LEU 19 4.852 -9.704 -7.341 145 HA PRO 20 HA PRO 20 7.476 -14.491 -12.869 146 1HB PRO 20 HB2 PRO 20 9.566 -12.639 -13.018 147 2HB PRO 20 HB1 PRO 20 8.138 -12.675 -14.061 148 1HG PRO 20 HG2 PRO 20 8.838 -10.730 -12.073 149 2HG PRO 20 HG1 PRO 20 7.447 -10.737 -13.165 150 1HD PRO 20 HD2 PRO 20 7.551 -11.410 -10.330 151 2HD PRO 20 HD1 PRO 20 6.141 -11.135 -11.363 152 H TRP 21 HN TRP 21 8.602 -13.147 -9.835 153 HA TRP 21 HA TRP 21 10.851 -15.114 -9.800 154 1HB TRP 21 HB2 TRP 21 11.730 -13.714 -7.913 155 2HB TRP 21 HB1 TRP 21 11.607 -12.833 -9.435 156 HD1 TRP 21 HD1 TRP 21 9.847 -13.223 -6.050 157 HE1 TRP 21 HE1 TRP 21 8.392 -11.136 -5.636 158 HE3 TRP 21 HE3 TRP 21 10.388 -10.863 -10.547 159 HZ2 TRP 21 HZ2 TRP 21 7.565 -8.777 -7.028 160 HZ3 TRP 21 HZ3 TRP 21 9.257 -8.700 -10.976 161 HH2 TRP 21 HH2 TRP 21 7.847 -7.656 -9.223 162 H HIS 22 HN HIS 22 11.265 -16.048 -7.552 163 HA HIS 22 HA HIS 22 8.653 -16.648 -6.221 164 1HB HIS 22 HB2 HIS 22 9.882 -18.531 -7.496 165 2HB HIS 22 HB1 HIS 22 11.058 -18.472 -6.183 166 HD1 HIS 22 HD1 HIS 22 7.233 -18.438 -6.296 167 HD2 HIS 22 HD2 HIS 22 10.353 -20.352 -4.303 168 HE1 HIS 22 HE1 HIS 22 6.158 -20.031 -4.646 169 H LEU 23 HN LEU 23 8.722 -15.250 -4.479 170 HA LEU 23 HA LEU 23 11.119 -15.456 -2.698 171 1HB LEU 23 HB2 LEU 23 10.696 -13.203 -3.857 172 2HB LEU 23 HB1 LEU 23 9.267 -13.069 -2.830 173 HG LEU 23 HG LEU 23 10.731 -13.395 -0.828 174 1HD1 LEU 23 HD12 LEU 23 12.823 -13.469 -2.996 175 2HD1 LEU 23 HD11 LEU 23 13.236 -12.910 -1.374 176 3HD1 LEU 23 HD13 LEU 23 12.624 -14.548 -1.614 177 1HD2 LEU 23 HD21 LEU 23 10.229 -11.114 -2.202 178 2HD2 LEU 23 HD23 LEU 23 11.166 -11.144 -0.709 179 3HD2 LEU 23 HD22 LEU 23 11.992 -11.116 -2.267 180 HA PRO 24 HA PRO 24 7.491 -17.536 -0.581 181 1HB PRO 24 HB2 PRO 24 9.581 -18.491 1.210 182 2HB PRO 24 HB1 PRO 24 8.488 -19.420 0.178 183 1HG PRO 24 HG2 PRO 24 11.258 -18.834 -0.246 184 2HG PRO 24 HG1 PRO 24 10.170 -19.798 -1.255 185 1HD PRO 24 HD2 PRO 24 11.262 -17.300 -1.917 186 2HD PRO 24 HD1 PRO 24 9.936 -18.120 -2.755 187 H ASP 25 HN ASP 25 10.270 -15.778 0.775 188 HA ASP 25 HA ASP 25 9.145 -15.236 3.344 189 1HB ASP 25 HB2 ASP 25 11.568 -14.820 2.335 190 2HB ASP 25 HB1 ASP 25 10.908 -13.216 2.012 191 H ASP 26 HN ASP 26 8.979 -13.457 0.269 192 HA ASP 26 HA ASP 26 7.539 -11.196 1.298 193 1HB ASP 26 HB2 ASP 26 8.715 -11.247 -0.911 194 2HB ASP 26 HB1 ASP 26 7.465 -12.336 -1.513 195 H LEU 27 HN LEU 27 6.518 -14.327 -0.006 196 HA LEU 27 HA LEU 27 3.703 -13.721 -0.098 197 1HB LEU 27 HB2 LEU 27 5.112 -16.393 0.201 198 2HB LEU 27 HB1 LEU 27 3.415 -16.175 -0.231 199 HG LEU 27 HG LEU 27 5.737 -15.051 -1.822 200 1HD1 LEU 27 HD11 LEU 27 4.155 -17.604 -2.043 201 2HD1 LEU 27 HD13 LEU 27 4.842 -16.853 -3.483 202 3HD1 LEU 27 HD12 LEU 27 5.898 -17.369 -2.169 203 1HD2 LEU 27 HD22 LEU 27 2.767 -14.899 -1.982 204 2HD2 LEU 27 HD21 LEU 27 3.981 -13.727 -2.492 205 3HD2 LEU 27 HD23 LEU 27 3.627 -15.125 -3.505 206 H HIS 28 HN HIS 28 5.886 -14.579 2.467 207 HA HIS 28 HA HIS 28 3.732 -15.387 4.304 208 1HB HIS 28 HB2 HIS 28 6.723 -15.064 4.565 209 2HB HIS 28 HB1 HIS 28 5.701 -15.342 5.976 210 HD1 HIS 28 HD1 HIS 28 3.693 -17.355 4.856 211 HD2 HIS 28 HD2 HIS 28 7.792 -17.591 4.125 212 HE1 HIS 28 HE1 HIS 28 4.177 -19.768 4.257 213 H TYR 29 HN TYR 29 5.611 -12.537 3.527 214 HA TYR 29 HA TYR 29 4.909 -11.065 5.935 215 1HB TYR 29 HB2 TYR 29 6.908 -10.598 4.428 216 2HB TYR 29 HB1 TYR 29 5.768 -9.904 3.274 217 HD1 TYR 29 HD1 TYR 29 6.293 -9.763 6.995 218 HD2 TYR 29 HD2 TYR 29 5.614 -7.589 3.352 219 HE1 TYR 29 HE1 TYR 29 6.299 -7.633 8.265 220 HE2 TYR 29 HE2 TYR 29 5.620 -5.459 4.623 221 HH TYR 29 HH TYR 29 6.051 -4.503 6.605 222 H PHE 30 HN PHE 30 3.422 -11.637 2.835 223 HA PHE 30 HA PHE 30 1.648 -9.391 2.766 224 1HB PHE 30 HB2 PHE 30 2.106 -10.995 0.862 225 2HB PHE 30 HB1 PHE 30 1.083 -12.168 1.691 226 HD1 PHE 30 HD2 PHE 30 1.020 -8.566 0.630 227 HD2 PHE 30 HD1 PHE 30 -1.187 -12.212 1.167 228 HE1 PHE 30 HE2 PHE 30 -0.997 -7.486 -0.327 229 HE2 PHE 30 HE1 PHE 30 -3.203 -11.132 0.210 230 HZ PHE 30 HZ PHE 30 -3.109 -8.769 -0.537 231 H ARG 31 HN ARG 31 1.176 -12.714 4.001 232 HA ARG 31 HA ARG 31 -1.481 -12.257 4.989 233 1HB ARG 31 HB2 ARG 31 -0.249 -14.502 4.610 234 2HB ARG 31 HB1 ARG 31 0.459 -14.225 6.202 235 1HG ARG 31 HG2 ARG 31 -1.616 -14.348 7.290 236 2HG ARG 31 HG1 ARG 31 -2.517 -14.009 5.811 237 1HD ARG 31 HD2 ARG 31 -1.607 -16.232 4.922 238 2HD ARG 31 HD1 ARG 31 -1.103 -16.568 6.579 239 HE ARG 31 HE ARG 31 -3.761 -15.888 6.860 240 1HH1 ARG 31 HH21 ARG 31 -2.016 -18.128 4.859 241 2HH1 ARG 31 HH22 ARG 31 -3.330 -19.254 4.769 242 1HH2 ARG 31 HH11 ARG 31 -5.458 -17.356 6.736 243 2HH2 ARG 31 HH12 ARG 31 -5.268 -18.819 5.826 244 H ALA 32 HN ALA 32 1.688 -11.534 6.253 245 HA ALA 32 HA ALA 32 0.784 -11.133 9.003 246 1HB ALA 32 HB3 ALA 32 3.183 -11.698 8.165 247 2HB ALA 32 HB2 ALA 32 3.306 -9.969 7.835 248 3HB ALA 32 HB1 ALA 32 3.012 -10.534 9.479 249 H GLN 33 HN GLN 33 1.024 -9.220 6.098 250 HA GLN 33 HA GLN 33 0.350 -6.762 7.659 251 1HB GLN 33 HB2 GLN 33 1.604 -7.177 4.941 252 2HB GLN 33 HB1 GLN 33 0.933 -5.620 5.426 253 1HG GLN 33 HG2 GLN 33 2.983 -7.119 7.075 254 2HG GLN 33 HG1 GLN 33 3.415 -5.899 5.877 255 1HE2 GLN 33 HE22 GLN 33 2.511 -3.176 7.941 256 2HE2 GLN 33 HE21 GLN 33 3.099 -3.681 6.430 257 H THR 34 HN THR 34 -1.608 -8.811 7.096 258 HA THR 34 HA THR 34 -3.505 -7.175 5.494 259 HB THR 34 HB THR 34 -4.345 -9.339 4.448 260 HG1 THR 34 HG1 THR 34 -2.146 -10.206 5.886 261 1HG2 THR 34 HG22 THR 34 -1.602 -8.228 3.844 262 2HG2 THR 34 HG21 THR 34 -2.378 -9.431 2.813 263 3HG2 THR 34 HG23 THR 34 -3.128 -7.852 3.044 264 H VAL 35 HN VAL 35 -2.883 -9.637 7.912 265 HA VAL 35 HA VAL 35 -5.654 -10.131 8.589 266 HB VAL 35 HB VAL 35 -4.681 -11.120 10.679 267 1HG1 VAL 35 HG13 VAL 35 -3.340 -11.872 8.065 268 2HG1 VAL 35 HG12 VAL 35 -3.389 -12.892 9.503 269 3HG1 VAL 35 HG11 VAL 35 -4.883 -12.487 8.657 270 1HG2 VAL 35 HG22 VAL 35 -2.099 -10.104 9.447 271 2HG2 VAL 35 HG21 VAL 35 -2.803 -9.583 10.978 272 3HG2 VAL 35 HG23 VAL 35 -2.187 -11.227 10.805 273 H GLY 36 HN GLY 36 -6.977 -8.954 9.906 274 1HA GLY 36 HA2 GLY 36 -7.667 -7.334 11.469 275 2HA GLY 36 HA1 GLY 36 -5.989 -7.209 12.000 276 H LYS 37 HN LYS 37 -7.081 -6.746 8.674 277 HA LYS 37 HA LYS 37 -6.948 -3.818 8.888 278 1HB LYS 37 HB2 LYS 37 -4.832 -5.453 7.484 279 2HB LYS 37 HB1 LYS 37 -5.172 -3.786 7.017 280 1HG LYS 37 HG2 LYS 37 -4.852 -3.162 9.464 281 2HG LYS 37 HG1 LYS 37 -4.226 -4.792 9.710 282 1HD LYS 37 HD2 LYS 37 -3.109 -3.082 7.504 283 2HD LYS 37 HD1 LYS 37 -2.548 -2.857 9.162 284 1HE LYS 37 HE2 LYS 37 -2.283 -5.472 9.127 285 2HE LYS 37 HE1 LYS 37 -2.259 -5.255 7.377 286 1HZ LYS 37 HZ3 LYS 37 -0.608 -3.304 8.425 287 2HZ LYS 37 HZ2 LYS 37 -0.218 -4.728 9.265 288 3HZ LYS 37 HZ1 LYS 37 -0.142 -4.691 7.567 289 H ILE 38 HN ILE 38 -7.448 -2.809 6.730 290 HA ILE 38 HA ILE 38 -9.424 -4.486 5.302 291 HB ILE 38 HB ILE 38 -8.794 -1.542 4.944 292 1HG1 ILE 38 HG12 ILE 38 -11.025 -2.806 6.561 293 2HG1 ILE 38 HG11 ILE 38 -9.529 -2.205 7.276 294 1HG2 ILE 38 HG21 ILE 38 -9.992 -2.606 3.063 295 2HG2 ILE 38 HG23 ILE 38 -11.205 -3.223 4.186 296 3HG2 ILE 38 HG22 ILE 38 -11.043 -1.485 3.930 297 1HD1 ILE 38 HD13 ILE 38 -9.984 0.037 6.338 298 2HD1 ILE 38 HD12 ILE 38 -11.490 -0.564 5.645 299 3HD1 ILE 38 HD11 ILE 38 -11.293 -0.491 7.396 300 H MET 39 HN MET 39 -8.756 -5.577 3.529 301 HA MET 39 HA MET 39 -6.360 -4.614 2.056 302 1HB MET 39 HB2 MET 39 -6.588 -7.029 2.834 303 2HB MET 39 HB1 MET 39 -7.871 -7.204 1.637 304 1HG MET 39 HG2 MET 39 -6.199 -6.321 -0.082 305 2HG MET 39 HG1 MET 39 -4.959 -6.551 1.151 306 1HE MET 39 HE1 MET 39 -7.809 -7.800 -0.687 307 2HE MET 39 HE3 MET 39 -7.428 -9.442 -1.222 308 3HE MET 39 HE2 MET 39 -8.176 -9.176 0.350 309 H VAL 40 HN VAL 40 -6.906 -3.153 0.498 310 HA VAL 40 HA VAL 40 -9.457 -3.469 -0.981 311 HB VAL 40 HB VAL 40 -7.363 -1.286 -1.212 312 1HG1 VAL 40 HG13 VAL 40 -10.264 -1.483 -2.080 313 2HG1 VAL 40 HG12 VAL 40 -9.290 -0.014 -2.164 314 3HG1 VAL 40 HG11 VAL 40 -8.855 -1.418 -3.140 315 1HG2 VAL 40 HG21 VAL 40 -9.841 -1.528 0.518 316 2HG2 VAL 40 HG23 VAL 40 -8.181 -1.276 1.056 317 3HG2 VAL 40 HG22 VAL 40 -9.033 0.007 0.197 318 H VAL 41 HN VAL 41 -9.450 -4.612 -2.844 319 HA VAL 41 HA VAL 41 -7.001 -4.530 -4.551 320 HB VAL 41 HB VAL 41 -7.403 -6.946 -5.084 321 1HG1 VAL 41 HG12 VAL 41 -6.782 -6.047 -2.274 322 2HG1 VAL 41 HG11 VAL 41 -6.709 -7.752 -2.717 323 3HG1 VAL 41 HG13 VAL 41 -5.666 -6.585 -3.530 324 1HG2 VAL 41 HG23 VAL 41 -9.861 -6.678 -4.167 325 2HG2 VAL 41 HG22 VAL 41 -9.018 -8.214 -3.968 326 3HG2 VAL 41 HG21 VAL 41 -9.117 -7.081 -2.620 327 H GLY 42 HN GLY 42 -7.493 -5.100 -6.841 328 1HA GLY 42 HA2 GLY 42 -10.069 -3.919 -7.647 329 2HA GLY 42 HA1 GLY 42 -8.736 -4.331 -8.725 330 H ARG 43 HN ARG 43 -10.501 -5.306 -10.057 331 HA ARG 43 HA ARG 43 -11.773 -7.744 -9.025 332 1HB ARG 43 HB2 ARG 43 -12.675 -7.912 -11.360 333 2HB ARG 43 HB1 ARG 43 -13.040 -6.371 -10.582 334 1HG ARG 43 HG2 ARG 43 -11.085 -5.350 -11.720 335 2HG ARG 43 HG1 ARG 43 -10.774 -6.885 -12.532 336 1HD ARG 43 HD2 ARG 43 -12.713 -6.738 -13.840 337 2HD ARG 43 HD1 ARG 43 -13.483 -5.594 -12.739 338 HE ARG 43 HE ARG 43 -12.414 -3.854 -13.908 339 1HH1 ARG 43 HH21 ARG 43 -10.810 -6.881 -14.487 340 2HH1 ARG 43 HH22 ARG 43 -9.724 -6.216 -15.663 341 1HH2 ARG 43 HH11 ARG 43 -11.001 -3.004 -15.434 342 2HH2 ARG 43 HH12 ARG 43 -9.832 -4.031 -16.195 343 H ARG 44 HN ARG 44 -9.113 -6.877 -11.187 344 HA ARG 44 HA ARG 44 -8.619 -9.557 -12.142 345 1HB ARG 44 HB2 ARG 44 -6.903 -7.066 -12.015 346 2HB ARG 44 HB1 ARG 44 -6.337 -8.580 -12.723 347 1HG ARG 44 HG2 ARG 44 -7.891 -8.496 -14.473 348 2HG ARG 44 HG1 ARG 44 -8.963 -7.403 -13.597 349 1HD ARG 44 HD2 ARG 44 -7.803 -6.172 -15.366 350 2HD ARG 44 HD1 ARG 44 -7.250 -5.609 -13.789 351 HE ARG 44 HE ARG 44 -5.108 -6.422 -14.325 352 1HH1 ARG 44 HH21 ARG 44 -7.519 -7.919 -16.328 353 2HH1 ARG 44 HH22 ARG 44 -6.359 -8.756 -17.305 354 1HH2 ARG 44 HH11 ARG 44 -3.613 -7.513 -15.600 355 2HH2 ARG 44 HH12 ARG 44 -4.159 -8.527 -16.894 356 H THR 45 HN THR 45 -7.383 -7.638 -9.427 357 HA THR 45 HA THR 45 -5.444 -9.637 -8.600 358 HB THR 45 HB THR 45 -6.657 -7.477 -6.862 359 HG1 THR 45 HG1 THR 45 -4.349 -6.756 -7.963 360 1HG2 THR 45 HG21 THR 45 -5.124 -9.270 -5.904 361 2HG2 THR 45 HG23 THR 45 -3.849 -8.595 -6.919 362 3HG2 THR 45 HG22 THR 45 -4.593 -7.606 -5.663 363 H TYR 46 HN TYR 46 -8.830 -9.014 -7.953 364 HA TYR 46 HA TYR 46 -9.107 -10.579 -5.574 365 1HB TYR 46 HB2 TYR 46 -10.825 -8.984 -6.567 366 2HB TYR 46 HB1 TYR 46 -11.206 -10.253 -7.732 367 HD1 TYR 46 HD2 TYR 46 -10.746 -9.809 -4.031 368 HD2 TYR 46 HD1 TYR 46 -12.886 -11.776 -7.193 369 HE1 TYR 46 HE2 TYR 46 -12.207 -10.910 -2.356 370 HE2 TYR 46 HE1 TYR 46 -14.348 -12.877 -5.519 371 HH TYR 46 HH TYR 46 -14.567 -11.893 -2.343 372 H GLU 47 HN GLU 47 -9.916 -11.468 -8.952 373 HA GLU 47 HA GLU 47 -10.268 -14.258 -8.361 374 1HB GLU 47 HB2 GLU 47 -9.675 -12.809 -10.957 375 2HB GLU 47 HB1 GLU 47 -10.055 -14.529 -10.861 376 1HG GLU 47 HG2 GLU 47 -12.194 -13.910 -9.678 377 2HG GLU 47 HG1 GLU 47 -11.831 -12.219 -10.027 378 H SER 48 HN SER 48 -7.460 -12.299 -8.902 379 HA SER 48 HA SER 48 -5.642 -14.298 -9.838 380 1HB SER 48 HB2 SER 48 -5.285 -11.728 -8.300 381 2HB SER 48 HB1 SER 48 -3.911 -12.764 -8.675 382 HG SER 48 HG SER 48 -4.830 -10.979 -10.223 383 H PHE 49 HN PHE 49 -6.896 -13.546 -6.649 384 HA PHE 49 HA PHE 49 -4.949 -14.973 -5.102 385 1HB PHE 49 HB2 PHE 49 -7.890 -14.519 -4.502 386 2HB PHE 49 HB1 PHE 49 -6.651 -14.969 -3.329 387 HD1 PHE 49 HD1 PHE 49 -4.389 -13.360 -3.762 388 HD2 PHE 49 HD2 PHE 49 -8.511 -12.286 -4.318 389 HE1 PHE 49 HE1 PHE 49 -3.807 -10.968 -3.455 390 HE2 PHE 49 HE2 PHE 49 -7.930 -9.894 -4.011 391 HZ PHE 49 HZ PHE 49 -5.578 -9.236 -3.580 392 HA PRO 50 HA PRO 50 -6.125 -19.210 -5.772 393 1HB PRO 50 HB2 PRO 50 -5.501 -20.210 -3.232 394 2HB PRO 50 HB1 PRO 50 -4.367 -20.003 -4.573 395 1HG PRO 50 HG2 PRO 50 -4.462 -18.566 -2.099 396 2HG PRO 50 HG1 PRO 50 -3.315 -18.380 -3.433 397 1HD PRO 50 HD2 PRO 50 -5.596 -16.698 -2.722 398 2HD PRO 50 HD1 PRO 50 -4.260 -16.359 -3.833 399 H LYS 51 HN LYS 51 -6.896 -18.776 -2.311 400 HA LYS 51 HA LYS 51 -9.637 -19.807 -2.895 401 1HB LYS 51 HB2 LYS 51 -7.845 -19.939 -0.480 402 2HB LYS 51 HB1 LYS 51 -9.590 -20.125 -0.302 403 1HG LYS 51 HG2 LYS 51 -8.069 -21.725 -2.355 404 2HG LYS 51 HG1 LYS 51 -8.173 -22.268 -0.679 405 1HD LYS 51 HD2 LYS 51 -10.653 -21.480 -2.199 406 2HD LYS 51 HD1 LYS 51 -9.982 -23.105 -2.343 407 1HE LYS 51 HE2 LYS 51 -10.289 -23.558 -0.037 408 2HE LYS 51 HE1 LYS 51 -10.521 -21.854 0.350 409 1HZ LYS 51 HZ1 LYS 51 -12.401 -22.710 -1.591 410 2HZ LYS 51 HZ3 LYS 51 -12.478 -23.708 -0.223 411 3HZ LYS 51 HZ2 LYS 51 -12.676 -22.029 -0.059 412 H ARG 52 HN ARG 52 -10.700 -17.868 -3.392 413 HA ARG 52 HA ARG 52 -10.558 -15.669 -1.390 414 1HB ARG 52 HB2 ARG 52 -11.783 -14.358 -3.145 415 2HB ARG 52 HB1 ARG 52 -10.219 -14.961 -3.693 416 1HG ARG 52 HG2 ARG 52 -11.448 -16.964 -4.655 417 2HG ARG 52 HG1 ARG 52 -12.951 -16.107 -4.313 418 1HD ARG 52 HD2 ARG 52 -12.019 -14.162 -5.654 419 2HD ARG 52 HD1 ARG 52 -10.717 -15.238 -6.160 420 HE ARG 52 HE ARG 52 -13.413 -15.262 -7.192 421 1HH1 ARG 52 HH11 ARG 52 -10.735 -17.296 -6.317 422 2HH1 ARG 52 HH12 ARG 52 -11.172 -18.552 -7.427 423 1HH2 ARG 52 HH21 ARG 52 -13.971 -16.898 -8.627 424 2HH2 ARG 52 HH22 ARG 52 -12.995 -18.327 -8.728 425 HA PRO 53 HA PRO 53 -11.924 -13.771 -1.245 426 1HB PRO 53 HB2 PRO 53 -13.351 -12.877 0.994 427 2HB PRO 53 HB1 PRO 53 -13.752 -12.540 -0.695 428 1HG PRO 53 HG2 PRO 53 -15.193 -14.158 1.172 429 2HG PRO 53 HG1 PRO 53 -15.597 -13.806 -0.513 430 1HD PRO 53 HD2 PRO 53 -14.431 -16.232 0.633 431 2HD PRO 53 HD1 PRO 53 -15.155 -15.984 -0.964 432 H LEU 54 HN LEU 54 -10.245 -13.055 0.118 433 HA LEU 54 HA LEU 54 -9.055 -14.953 1.882 434 1HB LEU 54 HB2 LEU 54 -8.583 -11.961 1.771 435 2HB LEU 54 HB1 LEU 54 -7.486 -13.166 2.447 436 HG LEU 54 HG LEU 54 -8.413 -13.197 -0.435 437 1HD1 LEU 54 HD12 LEU 54 -6.998 -11.159 0.370 438 2HD1 LEU 54 HD11 LEU 54 -5.680 -12.326 0.484 439 3HD1 LEU 54 HD13 LEU 54 -6.470 -12.036 -1.066 440 1HD2 LEU 54 HD21 LEU 54 -6.207 -14.615 1.093 441 2HD2 LEU 54 HD23 LEU 54 -7.646 -15.355 0.390 442 3HD2 LEU 54 HD22 LEU 54 -6.399 -14.681 -0.659 443 HA PRO 55 HA PRO 55 -11.730 -13.927 5.413 444 1HB PRO 55 HB2 PRO 55 -10.814 -16.109 6.918 445 2HB PRO 55 HB1 PRO 55 -12.236 -16.091 5.867 446 1HG PRO 55 HG2 PRO 55 -9.783 -17.514 5.495 447 2HG PRO 55 HG1 PRO 55 -11.214 -17.507 4.457 448 1HD PRO 55 HD2 PRO 55 -8.671 -16.119 4.090 449 2HD PRO 55 HD1 PRO 55 -9.979 -16.385 2.926 450 H GLU 56 HN GLU 56 -11.165 -13.952 7.933 451 HA GLU 56 HA GLU 56 -9.876 -13.007 9.645 452 1HB GLU 56 HB2 GLU 56 -7.510 -13.876 7.958 453 2HB GLU 56 HB1 GLU 56 -7.508 -13.535 9.690 454 1HG GLU 56 HG2 GLU 56 -9.342 -15.380 9.820 455 2HG GLU 56 HG1 GLU 56 -8.747 -15.861 8.230 456 H ARG 57 HN ARG 57 -10.672 -11.419 7.259 457 HA ARG 57 HA ARG 57 -9.318 -8.983 7.886 458 1HB ARG 57 HB2 ARG 57 -8.096 -8.660 5.733 459 2HB ARG 57 HB1 ARG 57 -7.417 -9.963 6.708 460 1HG ARG 57 HG2 ARG 57 -9.063 -11.481 5.336 461 2HG ARG 57 HG1 ARG 57 -9.047 -10.141 4.190 462 1HD ARG 57 HD2 ARG 57 -7.262 -11.433 3.419 463 2HD ARG 57 HD1 ARG 57 -6.439 -10.289 4.479 464 HE ARG 57 HE ARG 57 -7.089 -12.445 6.126 465 1HH1 ARG 57 HH21 ARG 57 -5.314 -11.959 3.179 466 2HH1 ARG 57 HH22 ARG 57 -4.223 -13.270 3.479 467 1HH2 ARG 57 HH11 ARG 57 -5.668 -14.144 6.505 468 2HH2 ARG 57 HH12 ARG 57 -4.423 -14.500 5.354 469 H THR 58 HN THR 58 -9.648 -7.512 5.602 470 HA THR 58 HA THR 58 -12.530 -7.956 4.917 471 HB THR 58 HB THR 58 -11.210 -5.252 4.835 472 HG1 THR 58 HG1 THR 58 -12.457 -5.328 7.057 473 1HG2 THR 58 HG22 THR 58 -14.024 -6.298 5.203 474 2HG2 THR 58 HG21 THR 58 -13.590 -4.603 5.419 475 3HG2 THR 58 HG23 THR 58 -13.393 -5.370 3.843 476 H ASN 59 HN ASN 59 -12.968 -8.157 2.771 477 HA ASN 59 HA ASN 59 -10.762 -7.554 0.848 478 1HB ASN 59 HB2 ASN 59 -13.066 -9.511 0.779 479 2HB ASN 59 HB1 ASN 59 -12.162 -9.086 -0.676 480 1HD2 ASN 59 HD22 ASN 59 -10.062 -10.986 2.321 481 2HD2 ASN 59 HD21 ASN 59 -11.285 -9.887 2.744 482 H VAL 60 HN VAL 60 -11.155 -5.434 0.248 483 HA VAL 60 HA VAL 60 -13.926 -4.674 -0.527 484 HB VAL 60 HB VAL 60 -11.459 -2.924 -0.295 485 1HG1 VAL 60 HG11 VAL 60 -13.280 -2.038 -1.723 486 2HG1 VAL 60 HG13 VAL 60 -14.420 -2.267 -0.397 487 3HG1 VAL 60 HG12 VAL 60 -13.108 -1.099 -0.240 488 1HG2 VAL 60 HG22 VAL 60 -12.073 -3.993 1.866 489 2HG2 VAL 60 HG21 VAL 60 -12.366 -2.254 1.886 490 3HG2 VAL 60 HG23 VAL 60 -13.715 -3.374 1.687 491 H VAL 61 HN VAL 61 -14.296 -5.323 -2.612 492 HA VAL 61 HA VAL 61 -12.148 -5.157 -4.629 493 HB VAL 61 HB VAL 61 -15.046 -5.987 -4.974 494 1HG1 VAL 61 HG11 VAL 61 -13.835 -5.386 -7.053 495 2HG1 VAL 61 HG13 VAL 61 -12.563 -6.532 -6.631 496 3HG1 VAL 61 HG12 VAL 61 -14.190 -7.113 -6.987 497 1HG2 VAL 61 HG22 VAL 61 -12.569 -7.636 -4.371 498 2HG2 VAL 61 HG21 VAL 61 -13.955 -7.409 -3.304 499 3HG2 VAL 61 HG23 VAL 61 -14.140 -8.306 -4.811 500 H LEU 62 HN LEU 62 -11.853 -3.341 -5.807 501 HA LEU 62 HA LEU 62 -14.060 -1.343 -5.926 502 1HB LEU 62 HB2 LEU 62 -11.760 -0.671 -5.100 503 2HB LEU 62 HB1 LEU 62 -11.163 -0.971 -6.733 504 HG LEU 62 HG LEU 62 -13.104 0.607 -7.473 505 1HD1 LEU 62 HD13 LEU 62 -12.920 1.056 -4.504 506 2HD1 LEU 62 HD12 LEU 62 -13.350 2.392 -5.572 507 3HD1 LEU 62 HD11 LEU 62 -14.357 0.945 -5.523 508 1HD2 LEU 62 HD21 LEU 62 -10.567 1.035 -7.439 509 2HD2 LEU 62 HD23 LEU 62 -11.608 2.458 -7.417 510 3HD2 LEU 62 HD22 LEU 62 -10.849 1.897 -5.927 511 H THR 63 HN THR 63 -15.260 -1.369 -7.753 512 HA THR 63 HA THR 63 -13.903 -1.773 -10.362 513 HB THR 63 HB THR 63 -14.704 -4.002 -9.806 514 HG1 THR 63 HG1 THR 63 -15.088 -3.086 -11.946 515 1HG2 THR 63 HG21 THR 63 -17.242 -2.517 -9.136 516 2HG2 THR 63 HG23 THR 63 -17.256 -4.242 -9.503 517 3HG2 THR 63 HG22 THR 63 -16.330 -3.641 -8.129 518 H HIS 64 HN HIS 64 -15.141 -0.894 -12.145 519 HA HIS 64 HA HIS 64 -16.998 1.249 -11.274 520 1HB HIS 64 HB2 HIS 64 -15.638 0.718 -13.933 521 2HB HIS 64 HB1 HIS 64 -16.689 2.094 -13.602 522 HD1 HIS 64 HD1 HIS 64 -15.755 3.995 -12.144 523 HD2 HIS 64 HD2 HIS 64 -13.104 0.806 -12.575 524 HE1 HIS 64 HE1 HIS 64 -13.528 4.787 -11.233 525 H GLN 65 HN GLN 65 -16.865 -1.571 -13.424 526 HA GLN 65 HA GLN 65 -19.543 -1.215 -14.469 527 1HB GLN 65 HB2 GLN 65 -17.653 -2.594 -15.511 528 2HB GLN 65 HB1 GLN 65 -18.026 -3.828 -14.305 529 1HG GLN 65 HG2 GLN 65 -20.231 -4.134 -15.147 530 2HG GLN 65 HG1 GLN 65 -20.148 -2.660 -16.112 531 1HE2 GLN 65 HE22 GLN 65 -19.243 -5.964 -17.992 532 2HE2 GLN 65 HE21 GLN 65 -20.352 -5.776 -16.720 533 H GLU 66 HN GLU 66 -21.453 -1.828 -13.554 534 HA GLU 66 HA GLU 66 -21.403 -2.983 -10.847 535 1HB GLU 66 HB2 GLU 66 -23.645 -1.970 -12.618 536 2HB GLU 66 HB1 GLU 66 -23.905 -2.637 -11.006 537 1HG GLU 66 HG2 GLU 66 -22.292 -0.926 -10.113 538 2HG GLU 66 HG1 GLU 66 -22.252 -0.200 -11.719 539 H ASP 67 HN ASP 67 -20.594 -4.649 -13.158 540 HA ASP 67 HA ASP 67 -22.800 -6.653 -13.228 541 1HB ASP 67 HB2 ASP 67 -21.621 -5.774 -15.362 542 2HB ASP 67 HB1 ASP 67 -20.261 -6.777 -14.854 543 H TYR 68 HN TYR 68 -19.441 -6.175 -12.271 544 HA TYR 68 HA TYR 68 -18.900 -8.938 -11.627 545 1HB TYR 68 HB2 TYR 68 -17.230 -6.972 -11.958 546 2HB TYR 68 HB1 TYR 68 -17.572 -6.595 -10.269 547 HD1 TYR 68 HD2 TYR 68 -16.109 -9.061 -12.586 548 HD2 TYR 68 HD1 TYR 68 -16.899 -8.102 -8.474 549 HE1 TYR 68 HE2 TYR 68 -14.546 -10.848 -11.868 550 HE2 TYR 68 HE1 TYR 68 -15.336 -9.889 -7.757 551 HH TYR 68 HH TYR 68 -14.339 -11.900 -8.587 552 H GLN 69 HN GLN 69 -19.101 -10.002 -9.644 553 HA GLN 69 HA GLN 69 -20.267 -8.501 -7.359 554 1HB GLN 69 HB2 GLN 69 -21.491 -10.917 -8.711 555 2HB GLN 69 HB1 GLN 69 -21.898 -10.448 -7.060 556 1HG GLN 69 HG2 GLN 69 -22.595 -8.220 -7.859 557 2HG GLN 69 HG1 GLN 69 -22.191 -8.688 -9.511 558 1HE2 GLN 69 HE22 GLN 69 -24.916 -11.214 -9.483 559 2HE2 GLN 69 HE21 GLN 69 -23.241 -11.226 -9.761 560 H ALA 70 HN ALA 70 -19.747 -9.421 -5.341 561 HA ALA 70 HA ALA 70 -18.144 -11.933 -5.365 562 1HB ALA 70 HB2 ALA 70 -16.668 -9.845 -5.406 563 2HB ALA 70 HB1 ALA 70 -17.301 -9.486 -3.799 564 3HB ALA 70 HB3 ALA 70 -16.381 -10.965 -4.073 565 H GLN 71 HN GLN 71 -18.937 -13.289 -3.843 566 HA GLN 71 HA GLN 71 -20.859 -12.303 -1.855 567 1HB GLN 71 HB2 GLN 71 -19.807 -15.036 -2.598 568 2HB GLN 71 HB1 GLN 71 -20.847 -14.794 -1.194 569 1HG GLN 71 HG2 GLN 71 -22.586 -13.818 -2.611 570 2HG GLN 71 HG1 GLN 71 -21.542 -13.959 -4.026 571 1HE2 GLN 71 HE22 GLN 71 -21.769 -17.637 -3.940 572 2HE2 GLN 71 HE21 GLN 71 -20.552 -16.458 -4.029 573 H GLY 72 HN GLY 72 -20.372 -11.838 0.240 574 1HA GLY 72 HA2 GLY 72 -19.203 -11.830 2.289 575 2HA GLY 72 HA1 GLY 72 -18.179 -13.122 1.659 576 H ALA 73 HN ALA 73 -18.725 -9.941 0.188 577 HA ALA 73 HA ALA 73 -16.116 -8.930 1.057 578 1HB ALA 73 HB1 ALA 73 -16.609 -9.703 -1.834 579 2HB ALA 73 HB3 ALA 73 -15.269 -8.692 -1.295 580 3HB ALA 73 HB2 ALA 73 -15.379 -10.369 -0.760 581 H VAL 74 HN VAL 74 -16.074 -6.697 0.923 582 HA VAL 74 HA VAL 74 -18.569 -5.347 0.246 583 HB VAL 74 HB VAL 74 -15.882 -4.131 0.953 584 1HG1 VAL 74 HG13 VAL 74 -17.572 -2.594 -0.039 585 2HG1 VAL 74 HG12 VAL 74 -18.712 -3.070 1.219 586 3HG1 VAL 74 HG11 VAL 74 -17.233 -2.210 1.648 587 1HG2 VAL 74 HG23 VAL 74 -18.174 -5.091 2.690 588 2HG2 VAL 74 HG22 VAL 74 -16.504 -5.657 2.722 589 3HG2 VAL 74 HG21 VAL 74 -16.892 -4.026 3.269 590 H VAL 75 HN VAL 75 -18.994 -5.239 -1.929 591 HA VAL 75 HA VAL 75 -16.790 -4.492 -3.783 592 HB VAL 75 HB VAL 75 -19.622 -5.362 -4.436 593 1HG1 VAL 75 HG13 VAL 75 -17.089 -5.060 -6.074 594 2HG1 VAL 75 HG12 VAL 75 -18.540 -5.877 -6.655 595 3HG1 VAL 75 HG11 VAL 75 -18.591 -4.157 -6.264 596 1HG2 VAL 75 HG21 VAL 75 -18.322 -7.100 -3.195 597 2HG2 VAL 75 HG23 VAL 75 -18.667 -7.573 -4.859 598 3HG2 VAL 75 HG22 VAL 75 -17.060 -6.991 -4.422 599 H VAL 76 HN VAL 76 -16.588 -2.269 -3.633 600 HA VAL 76 HA VAL 76 -19.063 -0.622 -3.830 601 HB VAL 76 HB VAL 76 -17.538 1.267 -3.202 602 1HG1 VAL 76 HG11 VAL 76 -18.794 -0.327 -1.567 603 2HG1 VAL 76 HG13 VAL 76 -17.191 -0.974 -1.218 604 3HG1 VAL 76 HG12 VAL 76 -17.541 0.728 -0.913 605 1HG2 VAL 76 HG22 VAL 76 -15.496 -0.008 -4.146 606 2HG2 VAL 76 HG21 VAL 76 -15.267 0.879 -2.639 607 3HG2 VAL 76 HG23 VAL 76 -15.488 -0.871 -2.608 608 H HIS 77 HN HIS 77 -18.344 1.603 -5.070 609 HA HIS 77 HA HIS 77 -16.876 0.904 -7.557 610 1HB HIS 77 HB2 HIS 77 -19.684 2.056 -7.513 611 2HB HIS 77 HB1 HIS 77 -18.700 1.801 -8.955 612 HD1 HIS 77 HD1 HIS 77 -18.665 -0.527 -9.948 613 HD2 HIS 77 HD2 HIS 77 -20.449 -0.440 -6.181 614 HE1 HIS 77 HE1 HIS 77 -19.668 -2.823 -9.578 615 H ASP 78 HN ASP 78 -16.369 2.669 -5.228 616 HA ASP 78 HA ASP 78 -15.617 5.061 -6.727 617 1HB ASP 78 HB2 ASP 78 -18.058 5.396 -5.973 618 2HB ASP 78 HB1 ASP 78 -17.412 5.481 -4.334 619 H VAL 79 HN VAL 79 -13.889 6.108 -5.725 620 HA VAL 79 HA VAL 79 -12.432 4.671 -3.713 621 HB VAL 79 HB VAL 79 -12.089 7.572 -4.527 622 1HG1 VAL 79 HG12 VAL 79 -10.241 5.511 -3.290 623 2HG1 VAL 79 HG11 VAL 79 -9.699 7.067 -3.918 624 3HG1 VAL 79 HG13 VAL 79 -10.808 7.007 -2.548 625 1HG2 VAL 79 HG23 VAL 79 -11.157 4.985 -5.785 626 2HG2 VAL 79 HG22 VAL 79 -12.017 6.319 -6.552 627 3HG2 VAL 79 HG21 VAL 79 -10.330 6.515 -6.077 628 H ALA 80 HN ALA 80 -14.720 7.338 -3.580 629 HA ALA 80 HA ALA 80 -14.174 8.169 -0.886 630 1HB ALA 80 HB1 ALA 80 -15.500 9.514 -2.506 631 2HB ALA 80 HB3 ALA 80 -16.789 8.314 -2.417 632 3HB ALA 80 HB2 ALA 80 -16.365 9.261 -0.990 633 H ALA 81 HN ALA 81 -16.221 5.649 -2.273 634 HA ALA 81 HA ALA 81 -17.634 4.999 0.150 635 1HB ALA 81 HB1 ALA 81 -16.999 3.269 -2.261 636 2HB ALA 81 HB3 ALA 81 -18.179 2.878 -1.010 637 3HB ALA 81 HB2 ALA 81 -18.435 4.272 -2.060 638 H VAL 82 HN VAL 82 -14.585 3.892 -1.272 639 HA VAL 82 HA VAL 82 -14.117 1.750 0.589 640 HB VAL 82 HB VAL 82 -12.058 3.416 -0.891 641 1HG1 VAL 82 HG13 VAL 82 -12.040 0.659 0.361 642 2HG1 VAL 82 HG12 VAL 82 -10.812 1.200 -0.784 643 3HG1 VAL 82 HG11 VAL 82 -11.004 2.030 0.761 644 1HG2 VAL 82 HG21 VAL 82 -13.874 2.463 -2.355 645 2HG2 VAL 82 HG23 VAL 82 -12.272 1.814 -2.701 646 3HG2 VAL 82 HG22 VAL 82 -13.429 0.858 -1.775 647 H PHE 83 HN PHE 83 -13.207 5.188 0.567 648 HA PHE 83 HA PHE 83 -11.678 5.044 3.023 649 1HB PHE 83 HB2 PHE 83 -12.821 7.272 1.353 650 2HB PHE 83 HB1 PHE 83 -12.155 7.618 2.949 651 HD1 PHE 83 HD2 PHE 83 -9.824 6.260 3.388 652 HD2 PHE 83 HD1 PHE 83 -11.346 7.514 -0.428 653 HE1 PHE 83 HE2 PHE 83 -7.530 6.188 2.449 654 HE2 PHE 83 HE1 PHE 83 -9.053 7.442 -1.366 655 HZ PHE 83 HZ PHE 83 -7.144 6.780 0.071 656 H ALA 84 HN ALA 84 -15.058 5.563 2.227 657 HA ALA 84 HA ALA 84 -15.901 6.633 4.752 658 1HB ALA 84 HB1 ALA 84 -17.328 5.114 2.564 659 2HB ALA 84 HB3 ALA 84 -18.162 5.632 4.029 660 3HB ALA 84 HB2 ALA 84 -17.443 6.830 2.954 661 H TYR 85 HN TYR 85 -15.498 3.323 3.553 662 HA TYR 85 HA TYR 85 -16.661 2.054 5.880 663 1HB TYR 85 HB2 TYR 85 -16.307 1.010 3.568 664 2HB TYR 85 HB1 TYR 85 -14.612 0.829 4.023 665 HD1 TYR 85 HD2 TYR 85 -18.072 -0.228 4.754 666 HD2 TYR 85 HD1 TYR 85 -13.925 -0.744 5.745 667 HE1 TYR 85 HE2 TYR 85 -18.631 -2.286 6.021 668 HE2 TYR 85 HE1 TYR 85 -14.483 -2.801 7.011 669 HH TYR 85 HH TYR 85 -17.765 -4.127 7.008 670 H ALA 86 HN ALA 86 -13.425 3.132 4.994 671 HA ALA 86 HA ALA 86 -12.062 1.803 7.174 672 1HB ALA 86 HB2 ALA 86 -10.968 2.687 5.065 673 2HB ALA 86 HB1 ALA 86 -11.181 4.310 5.720 674 3HB ALA 86 HB3 ALA 86 -10.157 3.147 6.562 675 H LYS 87 HN LYS 87 -13.748 4.859 6.804 676 HA LYS 87 HA LYS 87 -12.730 6.143 9.167 677 1HB LYS 87 HB2 LYS 87 -15.229 6.485 7.509 678 2HB LYS 87 HB1 LYS 87 -14.974 7.424 8.982 679 1HG LYS 87 HG2 LYS 87 -12.880 8.313 8.103 680 2HG LYS 87 HG1 LYS 87 -13.021 7.301 6.665 681 1HD LYS 87 HD2 LYS 87 -13.841 9.396 5.951 682 2HD LYS 87 HD1 LYS 87 -15.303 8.477 6.312 683 1HE LYS 87 HE2 LYS 87 -15.505 9.537 8.483 684 2HE LYS 87 HE1 LYS 87 -13.950 10.345 8.278 685 1HZ LYS 87 HZ2 LYS 87 -15.473 10.962 6.048 686 2HZ LYS 87 HZ1 LYS 87 -16.499 11.165 7.387 687 3HZ LYS 87 HZ3 LYS 87 -15.026 12.004 7.315 688 H GLN 88 HN GLN 88 -15.567 4.075 8.573 689 HA GLN 88 HA GLN 88 -16.617 4.244 11.244 690 1HB GLN 88 HB2 GLN 88 -17.744 3.350 9.075 691 2HB GLN 88 HB1 GLN 88 -16.950 1.826 9.474 692 1HG GLN 88 HG2 GLN 88 -18.026 1.818 11.680 693 2HG GLN 88 HG1 GLN 88 -18.790 3.369 11.327 694 1HE2 GLN 88 HE22 GLN 88 -20.219 -0.028 9.512 695 2HE2 GLN 88 HE21 GLN 88 -18.672 -0.040 10.210 696 H HIS 89 HN HIS 89 -14.104 2.308 9.760 697 HA HIS 89 HA HIS 89 -13.712 0.909 12.379 698 1HB HIS 89 HB2 HIS 89 -13.380 -0.030 9.540 699 2HB HIS 89 HB1 HIS 89 -12.429 -0.769 10.828 700 HD1 HIS 89 HD1 HIS 89 -13.547 -2.672 11.978 701 HD2 HIS 89 HD2 HIS 89 -16.327 -0.058 10.301 702 HE1 HIS 89 HE1 HIS 89 -15.829 -3.685 12.403 703 HA PRO 90 HA PRO 90 -9.952 3.508 11.804 704 1HB PRO 90 HB2 PRO 90 -9.827 4.115 14.536 705 2HB PRO 90 HB1 PRO 90 -10.530 5.138 13.277 706 1HG PRO 90 HG2 PRO 90 -11.877 3.766 15.397 707 2HG PRO 90 HG1 PRO 90 -12.573 4.807 14.148 708 1HD PRO 90 HD2 PRO 90 -12.583 1.890 14.325 709 2HD PRO 90 HD1 PRO 90 -13.541 2.952 13.280 710 H ASP 91 HN ASP 91 -10.767 0.879 13.945 711 HA ASP 91 HA ASP 91 -8.147 0.423 15.051 712 1HB ASP 91 HB2 ASP 91 -9.036 -1.876 15.521 713 2HB ASP 91 HB1 ASP 91 -10.101 -0.589 16.088 714 H GLN 92 HN GLN 92 -9.648 -0.364 11.999 715 HA GLN 92 HA GLN 92 -7.351 -2.120 11.275 716 1HB GLN 92 HB2 GLN 92 -10.045 -1.649 9.972 717 2HB GLN 92 HB1 GLN 92 -8.770 -2.623 9.241 718 1HG GLN 92 HG2 GLN 92 -8.737 -4.028 11.325 719 2HG GLN 92 HG1 GLN 92 -10.141 -3.125 11.897 720 1HE2 GLN 92 HE22 GLN 92 -10.682 -5.462 8.544 721 2HE2 GLN 92 HE21 GLN 92 -9.192 -4.678 8.767 722 H GLU 93 HN GLU 93 -5.834 -1.418 9.828 723 HA GLU 93 HA GLU 93 -6.081 1.356 8.823 724 1HB GLU 93 HB2 GLU 93 -3.801 -0.623 8.984 725 2HB GLU 93 HB1 GLU 93 -3.665 0.885 8.078 726 1HG GLU 93 HG2 GLU 93 -4.413 2.087 10.190 727 2HG GLU 93 HG1 GLU 93 -4.195 0.557 11.038 728 H LEU 94 HN LEU 94 -5.825 1.859 6.576 729 HA LEU 94 HA LEU 94 -6.883 -0.235 4.789 730 1HB LEU 94 HB2 LEU 94 -7.666 2.203 4.807 731 2HB LEU 94 HB1 LEU 94 -6.128 2.595 4.037 732 HG LEU 94 HG LEU 94 -6.782 0.680 2.369 733 1HD1 LEU 94 HD12 LEU 94 -9.349 1.319 3.802 734 2HD1 LEU 94 HD11 LEU 94 -9.382 0.851 2.102 735 3HD1 LEU 94 HD13 LEU 94 -8.717 -0.251 3.307 736 1HD2 LEU 94 HD22 LEU 94 -7.903 3.476 2.503 737 2HD2 LEU 94 HD21 LEU 94 -6.590 2.863 1.499 738 3HD2 LEU 94 HD23 LEU 94 -8.258 2.432 1.128 739 H VAL 95 HN VAL 95 -5.751 -1.090 3.024 740 HA VAL 95 HA VAL 95 -2.966 -0.176 2.556 741 HB VAL 95 HB VAL 95 -3.665 -3.081 3.075 742 1HG1 VAL 95 HG11 VAL 95 -1.128 -1.581 2.421 743 2HG1 VAL 95 HG13 VAL 95 -1.087 -3.154 3.215 744 3HG1 VAL 95 HG12 VAL 95 -1.803 -2.994 1.612 745 1HG2 VAL 95 HG22 VAL 95 -2.438 -0.942 4.823 746 2HG2 VAL 95 HG21 VAL 95 -3.787 -2.015 5.197 747 3HG2 VAL 95 HG23 VAL 95 -2.146 -2.657 5.114 748 H ILE 96 HN ILE 96 -2.554 -0.142 0.395 749 HA ILE 96 HA ILE 96 -4.556 -1.359 -1.424 750 HB ILE 96 HB ILE 96 -2.222 0.452 -2.104 751 1HG1 ILE 96 HG12 ILE 96 -3.749 1.562 -0.509 752 2HG1 ILE 96 HG11 ILE 96 -3.879 2.287 -2.109 753 1HG2 ILE 96 HG21 ILE 96 -3.264 -0.926 -3.940 754 2HG2 ILE 96 HG23 ILE 96 -4.788 -0.101 -3.618 755 3HG2 ILE 96 HG22 ILE 96 -3.392 0.816 -4.185 756 1HD1 ILE 96 HD11 ILE 96 -5.765 0.192 -0.982 757 2HD1 ILE 96 HD13 ILE 96 -6.112 1.918 -1.099 758 3HD1 ILE 96 HD12 ILE 96 -5.902 0.959 -2.564 759 H ALA 97 HN ALA 97 -4.121 -3.253 -2.432 760 HA ALA 97 HA ALA 97 -1.293 -4.217 -2.456 761 1HB ALA 97 HB3 ALA 97 -3.954 -5.596 -2.301 762 2HB ALA 97 HB2 ALA 97 -2.580 -6.456 -2.998 763 3HB ALA 97 HB1 ALA 97 -2.502 -5.866 -1.338 764 H GLY 98 HN GLY 98 -4.081 -3.492 -4.448 765 1HA GLY 98 HA2 GLY 98 -2.783 -2.976 -6.824 766 2HA GLY 98 HA1 GLY 98 -2.997 -4.728 -6.860 767 H GLY 99 HN GLY 99 -6.044 -3.492 -8.503 768 1HA GLY 99 HA2 GLY 99 -3.310 -4.482 -8.902 769 2HA GLY 99 HA1 GLY 99 -4.484 -4.127 -10.170 770 H ALA 100 HN ALA 100 -2.825 -2.961 -11.340 771 HA ALA 100 HA ALA 100 -1.393 -0.730 -10.230 772 1HB ALA 100 HB3 ALA 100 -2.045 -1.638 -13.027 773 2HB ALA 100 HB2 ALA 100 -1.262 -0.082 -12.757 774 3HB ALA 100 HB1 ALA 100 -0.475 -1.569 -12.225 775 H GLN 101 HN GLN 101 -4.541 -1.049 -11.801 776 HA GLN 101 HA GLN 101 -5.021 1.783 -12.096 777 1HB GLN 101 HB2 GLN 101 -7.020 -0.489 -11.868 778 2HB GLN 101 HB1 GLN 101 -7.354 1.128 -12.490 779 1HG GLN 101 HG2 GLN 101 -5.844 0.796 -14.351 780 2HG GLN 101 HG1 GLN 101 -5.286 -0.738 -13.683 781 1HE2 GLN 101 HE22 GLN 101 -8.799 -0.589 -15.744 782 2HE2 GLN 101 HE21 GLN 101 -7.939 0.832 -15.401 783 H ILE 102 HN ILE 102 -5.482 -0.534 -9.496 784 HA ILE 102 HA ILE 102 -7.175 1.198 -7.887 785 HB ILE 102 HB ILE 102 -5.469 -1.140 -6.988 786 1HG1 ILE 102 HG12 ILE 102 -6.950 -1.792 -8.856 787 2HG1 ILE 102 HG11 ILE 102 -7.493 -2.512 -7.343 788 1HG2 ILE 102 HG21 ILE 102 -7.926 0.201 -5.824 789 2HG2 ILE 102 HG23 ILE 102 -7.225 -1.298 -5.213 790 3HG2 ILE 102 HG22 ILE 102 -6.301 0.203 -5.139 791 1HD1 ILE 102 HD13 ILE 102 -9.143 -0.650 -7.096 792 2HD1 ILE 102 HD12 ILE 102 -8.646 -0.041 -8.674 793 3HD1 ILE 102 HD11 ILE 102 -9.422 -1.618 -8.543 794 H PHE 103 HN PHE 103 -3.719 0.681 -8.247 795 HA PHE 103 HA PHE 103 -2.913 2.046 -5.839 796 1HB PHE 103 HB2 PHE 103 -1.528 1.333 -8.421 797 2HB PHE 103 HB1 PHE 103 -0.720 2.328 -7.210 798 HD1 PHE 103 HD2 PHE 103 -1.393 1.291 -4.663 799 HD2 PHE 103 HD1 PHE 103 -0.810 -0.879 -8.325 800 HE1 PHE 103 HE2 PHE 103 -0.825 -0.745 -3.367 801 HE2 PHE 103 HE1 PHE 103 -0.242 -2.914 -7.028 802 HZ PHE 103 HZ PHE 103 -0.249 -2.848 -4.549 803 H THR 104 HN THR 104 -3.086 3.107 -9.252 804 HA THR 104 HA THR 104 -2.365 5.831 -8.734 805 HB THR 104 HB THR 104 -4.187 4.931 -10.972 806 HG1 THR 104 HG1 THR 104 -2.216 4.454 -12.070 807 1HG2 THR 104 HG22 THR 104 -2.096 7.092 -10.639 808 2HG2 THR 104 HG21 THR 104 -2.822 6.673 -12.190 809 3HG2 THR 104 HG23 THR 104 -3.828 7.310 -10.889 810 H ALA 105 HN ALA 105 -5.334 4.074 -8.319 811 HA ALA 105 HA ALA 105 -7.145 6.315 -8.373 812 1HB ALA 105 HB1 ALA 105 -7.354 3.634 -6.969 813 2HB ALA 105 HB3 ALA 105 -8.681 4.782 -7.143 814 3HB ALA 105 HB2 ALA 105 -7.977 4.027 -8.572 815 H PHE 106 HN PHE 106 -5.634 4.550 -5.646 816 HA PHE 106 HA PHE 106 -6.501 6.647 -3.767 817 1HB PHE 106 HB2 PHE 106 -4.911 4.091 -3.431 818 2HB PHE 106 HB1 PHE 106 -5.239 5.204 -2.103 819 HD1 PHE 106 HD2 PHE 106 -7.034 3.405 -4.865 820 HD2 PHE 106 HD1 PHE 106 -7.180 4.907 -0.843 821 HE1 PHE 106 HE2 PHE 106 -9.278 2.394 -4.569 822 HE2 PHE 106 HE1 PHE 106 -9.426 3.896 -0.548 823 HZ PHE 106 HZ PHE 106 -10.474 2.639 -2.411 824 H LYS 107 HN LYS 107 -4.137 6.621 -5.990 825 HA LYS 107 HA LYS 107 -1.769 7.305 -4.514 826 1HB LYS 107 HB2 LYS 107 -1.917 6.668 -6.979 827 2HB LYS 107 HB1 LYS 107 -2.484 8.312 -7.276 828 1HG LYS 107 HG2 LYS 107 -0.432 9.221 -6.276 829 2HG LYS 107 HG1 LYS 107 0.134 7.588 -5.928 830 1HD LYS 107 HD2 LYS 107 1.221 8.109 -7.950 831 2HD LYS 107 HD1 LYS 107 -0.180 7.173 -8.474 832 1HE LYS 107 HE2 LYS 107 -1.356 9.104 -9.171 833 2HE LYS 107 HE1 LYS 107 -0.298 10.180 -8.260 834 1HZ LYS 107 HZ2 LYS 107 0.938 8.501 -10.301 835 2HZ LYS 107 HZ1 LYS 107 -0.020 9.794 -10.844 836 3HZ LYS 107 HZ3 LYS 107 1.308 10.092 -9.833 837 H ASP 108 HN ASP 108 -4.643 9.079 -5.340 838 HA ASP 108 HA ASP 108 -3.560 11.739 -5.096 839 1HB ASP 108 HB2 ASP 108 -5.880 10.892 -6.027 840 2HB ASP 108 HB1 ASP 108 -6.397 11.100 -4.353 841 H ASP 109 HN ASP 109 -5.117 9.518 -2.790 842 HA ASP 109 HA ASP 109 -4.325 11.380 -0.588 843 1HB ASP 109 HB2 ASP 109 -6.457 9.228 -0.706 844 2HB ASP 109 HB1 ASP 109 -6.016 10.096 0.765 845 H VAL 110 HN VAL 110 -2.431 9.611 -1.825 846 HA VAL 110 HA VAL 110 -2.148 7.248 -0.125 847 HB VAL 110 HB VAL 110 -1.360 7.231 -2.466 848 1HG1 VAL 110 HG13 VAL 110 -0.666 9.696 -2.376 849 2HG1 VAL 110 HG12 VAL 110 0.819 9.141 -1.605 850 3HG1 VAL 110 HG11 VAL 110 0.422 8.607 -3.238 851 1HG2 VAL 110 HG22 VAL 110 -0.172 6.003 -0.447 852 2HG2 VAL 110 HG21 VAL 110 0.560 5.982 -2.052 853 3HG2 VAL 110 HG23 VAL 110 1.152 7.105 -0.828 854 H ASP 111 HN ASP 111 -0.426 6.943 1.417 855 HA ASP 111 HA ASP 111 0.847 9.464 2.396 856 1HB ASP 111 HB2 ASP 111 -0.437 7.300 4.094 857 2HB ASP 111 HB1 ASP 111 0.452 8.691 4.717 858 H THR 112 HN THR 112 0.894 6.007 3.325 859 HA THR 112 HA THR 112 3.830 6.103 3.516 860 HB THR 112 HB THR 112 2.146 3.617 3.802 861 HG1 THR 112 HG1 THR 112 1.385 5.583 5.011 862 1HG2 THR 112 HG22 THR 112 4.745 4.646 4.955 863 2HG2 THR 112 HG21 THR 112 3.909 3.237 5.609 864 3HG2 THR 112 HG23 THR 112 4.496 3.221 3.946 865 H LEU 113 HN LEU 113 5.153 4.444 2.378 866 HA LEU 113 HA LEU 113 3.949 3.420 -0.140 867 1HB LEU 113 HB2 LEU 113 6.261 5.336 0.100 868 2HB LEU 113 HB1 LEU 113 6.153 4.228 -1.269 869 HG LEU 113 HG LEU 113 3.829 5.982 -0.472 870 1HD1 LEU 113 HD12 LEU 113 6.264 6.636 -2.115 871 2HD1 LEU 113 HD11 LEU 113 4.711 7.377 -2.499 872 3HD1 LEU 113 HD13 LEU 113 5.439 7.629 -0.914 873 1HD2 LEU 113 HD23 LEU 113 3.630 3.953 -2.038 874 2HD2 LEU 113 HD22 LEU 113 3.029 5.490 -2.663 875 3HD2 LEU 113 HD21 LEU 113 4.602 4.881 -3.181 876 H LEU 114 HN LEU 114 4.188 1.322 0.819 877 HA LEU 114 HA LEU 114 6.901 0.435 1.580 878 1HB LEU 114 HB2 LEU 114 4.240 -1.022 1.513 879 2HB LEU 114 HB1 LEU 114 5.751 -1.720 2.099 880 HG LEU 114 HG LEU 114 4.652 0.864 3.213 881 1HD1 LEU 114 HD13 LEU 114 4.143 -1.973 4.158 882 2HD1 LEU 114 HD12 LEU 114 3.753 -0.523 5.082 883 3HD1 LEU 114 HD11 LEU 114 2.935 -0.841 3.554 884 1HD2 LEU 114 HD21 LEU 114 6.746 -1.159 3.996 885 2HD2 LEU 114 HD23 LEU 114 6.911 0.589 3.833 886 3HD2 LEU 114 HD22 LEU 114 6.032 -0.091 5.203 887 H VAL 115 HN VAL 115 8.258 -0.347 0.050 888 HA VAL 115 HA VAL 115 7.081 -1.804 -2.275 889 HB VAL 115 HB VAL 115 7.687 0.483 -2.987 890 1HG1 VAL 115 HG12 VAL 115 9.435 0.885 -1.277 891 2HG1 VAL 115 HG11 VAL 115 10.485 -0.274 -2.093 892 3HG1 VAL 115 HG13 VAL 115 10.027 1.224 -2.904 893 1HG2 VAL 115 HG21 VAL 115 8.068 -1.598 -4.447 894 2HG2 VAL 115 HG23 VAL 115 8.941 -0.137 -4.914 895 3HG2 VAL 115 HG22 VAL 115 9.778 -1.426 -4.050 896 H THR 116 HN THR 116 8.270 -3.600 -2.945 897 HA THR 116 HA THR 116 10.604 -4.312 -1.216 898 HB THR 116 HB THR 116 8.817 -6.177 -2.805 899 HG1 THR 116 HG1 THR 116 7.573 -6.269 -1.108 900 1HG2 THR 116 HG23 THR 116 11.163 -6.922 -2.230 901 2HG2 THR 116 HG22 THR 116 10.726 -6.757 -0.529 902 3HG2 THR 116 HG21 THR 116 9.886 -7.928 -1.545 903 H ARG 117 HN ARG 117 12.381 -3.653 -2.381 904 HA ARG 117 HA ARG 117 12.478 -4.006 -5.301 905 1HB ARG 117 HB2 ARG 117 14.377 -2.856 -3.250 906 2HB ARG 117 HB1 ARG 117 14.860 -3.097 -4.930 907 1HG ARG 117 HG2 ARG 117 12.796 -1.771 -5.595 908 2HG ARG 117 HG1 ARG 117 12.615 -1.353 -3.891 909 1HD ARG 117 HD2 ARG 117 14.899 -0.393 -3.895 910 2HD ARG 117 HD1 ARG 117 15.046 -0.776 -5.610 911 HE ARG 117 HE ARG 117 12.685 0.794 -5.189 912 1HH1 ARG 117 HH11 ARG 117 16.153 1.008 -5.192 913 2HH1 ARG 117 HH12 ARG 117 16.168 2.683 -5.631 914 1HH2 ARG 117 HH21 ARG 117 12.718 2.969 -5.758 915 2HH2 ARG 117 HH22 ARG 117 14.233 3.787 -5.949 916 H LEU 118 HN LEU 118 13.453 -5.700 -6.323 917 HA LEU 118 HA LEU 118 14.891 -7.689 -4.614 918 1HB LEU 118 HB2 LEU 118 12.998 -7.918 -6.891 919 2HB LEU 118 HB1 LEU 118 14.354 -9.046 -6.911 920 HG LEU 118 HG LEU 118 13.793 -9.624 -4.514 921 1HD1 LEU 118 HD13 LEU 118 11.323 -8.000 -5.192 922 2HD1 LEU 118 HD12 LEU 118 11.483 -9.039 -3.776 923 3HD1 LEU 118 HD11 LEU 118 12.516 -7.619 -3.950 924 1HD2 LEU 118 HD22 LEU 118 13.014 -10.873 -6.639 925 2HD2 LEU 118 HD21 LEU 118 12.140 -11.204 -5.143 926 3HD2 LEU 118 HD23 LEU 118 11.445 -10.121 -6.349 927 H ALA 119 HN ALA 119 17.008 -8.111 -5.077 928 HA ALA 119 HA ALA 119 18.455 -6.446 -6.925 929 1HB ALA 119 HB3 ALA 119 19.313 -7.653 -4.796 930 2HB ALA 119 HB2 ALA 119 19.491 -9.064 -5.840 931 3HB ALA 119 HB1 ALA 119 20.390 -7.587 -6.191 932 H GLY 120 HN GLY 120 17.070 -9.673 -7.135 933 1HA GLY 120 HA2 GLY 120 18.418 -10.392 -9.607 934 2HA GLY 120 HA1 GLY 120 17.025 -11.223 -8.911 935 H SER 121 HN SER 121 17.824 -9.866 -11.665 936 HA SER 121 HA SER 121 15.551 -8.038 -12.045 937 1HB SER 121 HB2 SER 121 16.392 -7.931 -14.394 938 2HB SER 121 HB1 SER 121 17.640 -7.550 -13.210 939 HG SER 121 HG SER 121 18.715 -9.162 -13.999 940 H PHE 122 HN PHE 122 13.675 -8.533 -13.189 941 HA PHE 122 HA PHE 122 13.415 -11.229 -14.400 942 1HB PHE 122 HB2 PHE 122 11.587 -10.154 -12.230 943 2HB PHE 122 HB1 PHE 122 11.275 -11.607 -13.179 944 HD1 PHE 122 HD1 PHE 122 12.979 -13.504 -13.106 945 HD2 PHE 122 HD2 PHE 122 13.019 -10.215 -10.343 946 HE1 PHE 122 HE1 PHE 122 14.397 -14.823 -11.556 947 HE2 PHE 122 HE2 PHE 122 14.436 -11.535 -8.793 948 HZ PHE 122 HZ PHE 122 15.126 -13.839 -9.400 949 H GLU 123 HN GLU 123 12.391 -11.016 -16.326 950 HA GLU 123 HA GLU 123 11.050 -8.460 -16.958 951 1HB GLU 123 HB2 GLU 123 11.954 -10.835 -18.584 952 2HB GLU 123 HB1 GLU 123 10.879 -9.618 -19.272 953 1HG GLU 123 HG2 GLU 123 13.051 -8.859 -19.836 954 2HG GLU 123 HG1 GLU 123 12.603 -7.890 -18.432 955 H GLY 124 HN GLY 124 8.858 -8.319 -17.572 956 1HA GLY 124 HA2 GLY 124 7.204 -10.776 -17.435 957 2HA GLY 124 HA1 GLY 124 6.827 -9.481 -16.298 958 H ASP 125 HN ASP 125 5.039 -8.444 -17.031 959 HA ASP 125 HA ASP 125 5.074 -7.392 -19.808 960 1HB ASP 125 HB2 ASP 125 3.752 -9.605 -19.628 961 2HB ASP 125 HB1 ASP 125 2.578 -8.676 -18.694 962 H THR 126 HN THR 126 3.695 -7.367 -16.559 963 HA THR 126 HA THR 126 2.491 -4.695 -17.067 964 HB THR 126 HB THR 126 2.317 -6.213 -14.469 965 HG1 THR 126 HG1 THR 126 1.437 -7.736 -15.627 966 1HG2 THR 126 HG21 THR 126 1.492 -3.819 -14.790 967 2HG2 THR 126 HG23 THR 126 0.276 -4.488 -15.879 968 3HG2 THR 126 HG22 THR 126 0.302 -4.969 -14.184 969 H LYS 127 HN LYS 127 3.524 -2.884 -16.385 970 HA LYS 127 HA LYS 127 5.894 -3.214 -14.603 971 1HB LYS 127 HB2 LYS 127 5.120 -0.970 -16.494 972 2HB LYS 127 HB1 LYS 127 6.558 -0.970 -15.472 973 1HG LYS 127 HG2 LYS 127 7.311 -3.070 -16.576 974 2HG LYS 127 HG1 LYS 127 5.908 -2.984 -17.644 975 1HD LYS 127 HD2 LYS 127 7.651 -1.983 -18.896 976 2HD LYS 127 HD1 LYS 127 6.745 -0.616 -18.244 977 1HE LYS 127 HE2 LYS 127 9.081 -0.161 -17.870 978 2HE LYS 127 HE1 LYS 127 8.373 -0.578 -16.309 979 1HZ LYS 127 HZ2 LYS 127 9.322 -2.859 -17.770 980 2HZ LYS 127 HZ1 LYS 127 10.556 -1.746 -17.410 981 3HZ LYS 127 HZ3 LYS 127 9.617 -2.402 -16.159 982 H MET 128 HN MET 128 6.259 -1.199 -13.160 983 HA MET 128 HA MET 128 3.758 -0.733 -11.658 984 1HB MET 128 HB2 MET 128 6.245 -1.240 -10.776 985 2HB MET 128 HB1 MET 128 6.328 0.521 -10.818 986 1HG MET 128 HG2 MET 128 3.953 -0.830 -9.567 987 2HG MET 128 HG1 MET 128 5.450 -0.664 -8.650 988 1HE MET 128 HE1 MET 128 3.066 0.529 -7.383 989 2HE MET 128 HE3 MET 128 2.453 2.094 -7.932 990 3HE MET 128 HE2 MET 128 2.203 0.653 -8.914 991 H ILE 129 HN ILE 129 2.860 1.327 -11.324 992 HA ILE 129 HA ILE 129 3.187 3.245 -13.444 993 HB ILE 129 HB ILE 129 1.703 4.681 -12.020 994 1HG1 ILE 129 HG12 ILE 129 1.695 2.348 -10.094 995 2HG1 ILE 129 HG11 ILE 129 2.743 3.747 -9.861 996 1HG2 ILE 129 HG21 ILE 129 0.956 2.683 -13.516 997 2HG2 ILE 129 HG23 ILE 129 0.653 1.857 -11.988 998 3HG2 ILE 129 HG22 ILE 129 -0.205 3.349 -12.369 999 1HD1 ILE 129 HD13 ILE 129 0.615 5.171 -10.111 1000 2HD1 ILE 129 HD12 ILE 129 -0.276 3.665 -9.898 1001 3HD1 ILE 129 HD11 ILE 129 0.784 4.250 -8.617 1002 HA PRO 130 HA PRO 130 6.366 5.892 -11.805 1003 1HB PRO 130 HB2 PRO 130 5.399 8.352 -12.727 1004 2HB PRO 130 HB1 PRO 130 6.379 7.210 -13.654 1005 1HG PRO 130 HG2 PRO 130 3.638 7.927 -14.062 1006 2HG PRO 130 HG1 PRO 130 4.632 6.806 -15.004 1007 1HD PRO 130 HD2 PRO 130 2.580 6.213 -13.009 1008 2HD PRO 130 HD1 PRO 130 3.342 5.132 -14.187 1009 H LEU 131 HN LEU 131 6.388 6.180 -9.605 1010 HA LEU 131 HA LEU 131 4.208 7.739 -8.322 1011 1HB LEU 131 HB2 LEU 131 6.476 6.111 -7.132 1012 2HB LEU 131 HB1 LEU 131 5.227 6.935 -6.198 1013 HG LEU 131 HG LEU 131 4.545 4.933 -8.355 1014 1HD1 LEU 131 HD12 LEU 131 5.200 4.488 -5.437 1015 2HD1 LEU 131 HD11 LEU 131 4.184 3.371 -6.347 1016 3HD1 LEU 131 HD13 LEU 131 5.854 3.644 -6.841 1017 1HD2 LEU 131 HD22 LEU 131 3.104 6.220 -6.027 1018 2HD2 LEU 131 HD21 LEU 131 2.671 6.268 -7.737 1019 3HD2 LEU 131 HD23 LEU 131 2.486 4.772 -6.822 1020 H ASN 132 HN ASN 132 4.676 9.601 -7.052 1021 HA ASN 132 HA ASN 132 7.026 11.111 -7.967 1022 1HB ASN 132 HB2 ASN 132 4.627 12.032 -7.608 1023 2HB ASN 132 HB1 ASN 132 5.042 12.041 -5.892 1024 1HD2 ASN 132 HD22 ASN 132 6.214 15.140 -8.037 1025 2HD2 ASN 132 HD21 ASN 132 4.902 14.126 -8.399 1026 H TRP 133 HN TRP 133 8.713 9.873 -6.932 1027 HA TRP 133 HA TRP 133 8.750 9.468 -4.058 1028 1HB TRP 133 HB2 TRP 133 10.995 9.381 -6.097 1029 2HB TRP 133 HB1 TRP 133 11.116 8.816 -4.432 1030 HD1 TRP 133 HD1 TRP 133 9.853 7.836 -7.831 1031 HE1 TRP 133 HE1 TRP 133 8.847 5.464 -7.733 1032 HE3 TRP 133 HE3 TRP 133 9.778 7.120 -2.776 1033 HZ2 TRP 133 HZ2 TRP 133 8.107 3.521 -5.767 1034 HZ3 TRP 133 HZ3 TRP 133 8.917 5.002 -1.818 1035 HH2 TRP 133 HH2 TRP 133 8.082 3.205 -3.307 1036 H ASP 134 HN ASP 134 9.449 12.141 -6.106 1037 HA ASP 134 HA ASP 134 11.401 13.439 -4.390 1038 1HB ASP 134 HB2 ASP 134 10.962 13.883 -6.888 1039 2HB ASP 134 HB1 ASP 134 9.582 14.841 -6.350 1040 H ASP 135 HN ASP 135 8.410 12.614 -3.583 1041 HA ASP 135 HA ASP 135 7.983 15.094 -1.973 1042 1HB ASP 135 HB2 ASP 135 6.356 14.832 -3.932 1043 2HB ASP 135 HB1 ASP 135 5.725 13.417 -3.089 1044 H PHE 136 HN PHE 136 9.262 12.458 -1.395 1045 HA PHE 136 HA PHE 136 7.591 11.771 0.973 1046 1HB PHE 136 HB2 PHE 136 8.712 9.859 -1.083 1047 2HB PHE 136 HB1 PHE 136 8.303 9.336 0.552 1048 HD1 PHE 136 HD1 PHE 136 5.926 9.850 1.414 1049 HD2 PHE 136 HD2 PHE 136 7.038 10.044 -2.731 1050 HE1 PHE 136 HE1 PHE 136 3.538 9.683 0.765 1051 HE2 PHE 136 HE2 PHE 136 4.650 9.878 -3.380 1052 HZ PHE 136 HZ PHE 136 2.900 9.698 -1.631 1053 H THR 137 HN THR 137 9.060 10.127 2.363 1054 HA THR 137 HA THR 137 11.926 10.828 2.212 1055 HB THR 137 HB THR 137 10.423 11.340 4.783 1056 HG1 THR 137 HG1 THR 137 10.920 13.032 2.585 1057 1HG2 THR 137 HG22 THR 137 12.884 10.973 4.851 1058 2HG2 THR 137 HG21 THR 137 13.090 12.320 3.731 1059 3HG2 THR 137 HG23 THR 137 12.434 12.606 5.342 1060 H LYS 138 HN LYS 138 12.992 8.955 2.576 1061 HA LYS 138 HA LYS 138 11.669 6.603 3.610 1062 1HB LYS 138 HB2 LYS 138 13.640 6.682 1.975 1063 2HB LYS 138 HB1 LYS 138 14.659 6.994 3.380 1064 1HG LYS 138 HG2 LYS 138 14.146 4.899 4.359 1065 2HG LYS 138 HG1 LYS 138 12.755 4.654 3.304 1066 1HD LYS 138 HD2 LYS 138 14.489 3.255 2.436 1067 2HD LYS 138 HD1 LYS 138 14.400 4.646 1.354 1068 1HE LYS 138 HE2 LYS 138 16.354 5.618 2.245 1069 2HE LYS 138 HE1 LYS 138 16.283 4.636 3.709 1070 1HZ LYS 138 HZ3 LYS 138 16.405 2.805 1.706 1071 2HZ LYS 138 HZ2 LYS 138 17.446 4.032 1.161 1072 3HZ LYS 138 HZ1 LYS 138 17.709 3.302 2.672 1073 H VAL 139 HN VAL 139 11.309 6.169 5.721 1074 HA VAL 139 HA VAL 139 12.851 7.650 7.781 1075 HB VAL 139 HB VAL 139 11.117 6.726 9.340 1076 1HG1 VAL 139 HG12 VAL 139 10.194 8.224 6.873 1077 2HG1 VAL 139 HG11 VAL 139 9.208 8.037 8.322 1078 3HG1 VAL 139 HG13 VAL 139 10.735 8.916 8.402 1079 1HG2 VAL 139 HG22 VAL 139 10.033 5.588 6.744 1080 2HG2 VAL 139 HG21 VAL 139 10.556 4.676 8.159 1081 3HG2 VAL 139 HG23 VAL 139 9.108 5.679 8.244 1082 H SER 140 HN SER 140 12.129 4.349 6.715 1083 HA SER 140 HA SER 140 14.594 3.387 7.973 1084 1HB SER 140 HB2 SER 140 13.412 1.624 9.297 1085 2HB SER 140 HB1 SER 140 13.089 3.252 9.886 1086 HG SER 140 HG SER 140 11.284 1.591 9.383 1087 H SER 141 HN SER 141 14.826 0.955 7.504 1088 HA SER 141 HA SER 141 13.163 -0.110 5.339 1089 1HB SER 141 HB2 SER 141 15.018 -0.283 3.719 1090 2HB SER 141 HB1 SER 141 14.671 1.402 4.102 1091 HG SER 141 HG SER 141 16.433 0.374 5.858 1092 H ARG 142 HN ARG 142 13.129 -2.296 5.563 1093 HA ARG 142 HA ARG 142 15.134 -3.545 7.365 1094 1HB ARG 142 HB2 ARG 142 12.545 -3.815 7.569 1095 2HB ARG 142 HB1 ARG 142 12.724 -4.949 6.230 1096 1HG ARG 142 HG2 ARG 142 12.955 -6.349 8.092 1097 2HG ARG 142 HG1 ARG 142 14.633 -5.980 7.693 1098 1HD ARG 142 HD2 ARG 142 14.457 -4.034 9.336 1099 2HD ARG 142 HD1 ARG 142 12.933 -4.745 9.868 1100 HE ARG 142 HE ARG 142 14.949 -6.766 9.919 1101 1HH1 ARG 142 HH21 ARG 142 14.012 -3.832 11.526 1102 2HH1 ARG 142 HH22 ARG 142 14.721 -4.294 13.038 1103 1HH2 ARG 142 HH11 ARG 142 15.865 -7.353 11.886 1104 2HH2 ARG 142 HH12 ARG 142 15.765 -6.278 13.239 1105 H THR 143 HN THR 143 16.860 -4.463 6.381 1106 HA THR 143 HA THR 143 16.635 -5.349 3.560 1107 HB THR 143 HB THR 143 19.123 -5.410 5.276 1108 HG1 THR 143 HG1 THR 143 19.085 -3.278 3.735 1109 1HG2 THR 143 HG23 THR 143 19.087 -6.560 3.048 1110 2HG2 THR 143 HG22 THR 143 18.719 -5.006 2.301 1111 3HG2 THR 143 HG21 THR 143 20.254 -5.240 3.137 1112 H VAL 144 HN VAL 144 17.229 -7.505 2.934 1113 HA VAL 144 HA VAL 144 17.735 -9.524 4.996 1114 HB VAL 144 HB VAL 144 15.285 -9.261 5.146 1115 1HG1 VAL 144 HG13 VAL 144 15.058 -8.461 2.745 1116 2HG1 VAL 144 HG12 VAL 144 15.183 -10.150 2.255 1117 3HG1 VAL 144 HG11 VAL 144 13.838 -9.622 3.269 1118 1HG2 VAL 144 HG23 VAL 144 16.440 -11.534 5.319 1119 2HG2 VAL 144 HG22 VAL 144 14.716 -11.577 4.948 1120 3HG2 VAL 144 HG21 VAL 144 15.901 -11.828 3.665 1121 H GLU 145 HN GLU 145 18.977 -11.108 4.099 1122 HA GLU 145 HA GLU 145 19.226 -11.147 1.129 1123 1HB GLU 145 HB2 GLU 145 21.047 -12.024 3.376 1124 2HB GLU 145 HB1 GLU 145 21.324 -12.528 1.708 1125 1HG GLU 145 HG2 GLU 145 22.619 -10.556 1.951 1126 2HG GLU 145 HG1 GLU 145 21.160 -10.024 1.114 1127 H ASP 146 HN ASP 146 18.281 -12.806 0.062 1128 HA ASP 146 HA ASP 146 17.139 -15.062 1.537 1129 1HB ASP 146 HB2 ASP 146 16.203 -13.837 -0.585 1130 2HB ASP 146 HB1 ASP 146 17.289 -14.914 -1.464 1131 H THR 147 HN THR 147 17.503 -17.189 -0.214 1132 HA THR 147 HA THR 147 20.166 -18.080 0.524 1133 HB THR 147 HB THR 147 19.502 -20.102 -0.894 1134 HG1 THR 147 HG1 THR 147 17.760 -18.407 -1.795 1135 1HG2 THR 147 HG23 THR 147 19.122 -19.835 1.594 1136 2HG2 THR 147 HG22 THR 147 17.486 -19.299 1.213 1137 3HG2 THR 147 HG21 THR 147 18.000 -20.931 0.787 1138 H ASN 148 HN ASN 148 18.600 -17.079 -2.506 1139 HA ASN 148 HA ASN 148 21.198 -17.368 -3.920 1140 1HB ASN 148 HB2 ASN 148 18.966 -18.243 -4.866 1141 2HB ASN 148 HB1 ASN 148 18.570 -16.550 -5.163 1142 1HD2 ASN 148 HD22 ASN 148 21.205 -18.450 -7.592 1143 2HD2 ASN 148 HD21 ASN 148 20.470 -19.253 -6.291 1144 HA PRO 149 HA PRO 149 22.266 -13.060 -3.496 1145 1HB PRO 149 HB2 PRO 149 23.189 -12.939 -6.246 1146 2HB PRO 149 HB1 PRO 149 24.139 -12.920 -4.754 1147 1HG PRO 149 HG2 PRO 149 23.776 -15.075 -6.611 1148 2HG PRO 149 HG1 PRO 149 24.787 -15.026 -5.162 1149 1HD PRO 149 HD2 PRO 149 22.448 -16.540 -5.503 1150 2HD PRO 149 HD1 PRO 149 23.292 -16.238 -3.977 1151 H ALA 150 HN ALA 150 20.625 -14.141 -6.461 1152 HA ALA 150 HA ALA 150 19.606 -11.498 -7.117 1153 1HB ALA 150 HB3 ALA 150 19.953 -13.551 -8.682 1154 2HB ALA 150 HB2 ALA 150 18.382 -14.078 -8.076 1155 3HB ALA 150 HB1 ALA 150 18.528 -12.541 -8.930 1156 H LEU 151 HN LEU 151 18.484 -14.222 -5.212 1157 HA LEU 151 HA LEU 151 15.731 -13.325 -5.016 1158 1HB LEU 151 HB2 LEU 151 17.423 -15.377 -3.633 1159 2HB LEU 151 HB1 LEU 151 15.882 -14.914 -2.910 1160 HG LEU 151 HG LEU 151 16.162 -15.755 -5.805 1161 1HD1 LEU 151 HD13 LEU 151 16.815 -17.565 -4.164 1162 2HD1 LEU 151 HD12 LEU 151 15.193 -17.444 -3.484 1163 3HD1 LEU 151 HD11 LEU 151 15.411 -17.954 -5.158 1164 1HD2 LEU 151 HD23 LEU 151 13.851 -15.295 -3.905 1165 2HD2 LEU 151 HD22 LEU 151 14.163 -14.493 -5.445 1166 3HD2 LEU 151 HD21 LEU 151 13.668 -16.185 -5.416 1167 H THR 152 HN THR 152 18.356 -11.736 -4.034 1168 HA THR 152 HA THR 152 17.662 -11.139 -1.260 1169 HB THR 152 HB THR 152 19.402 -9.348 -1.515 1170 HG1 THR 152 HG1 THR 152 20.409 -10.171 -3.829 1171 1HG2 THR 152 HG21 THR 152 19.968 -12.198 -2.312 1172 2HG2 THR 152 HG23 THR 152 21.272 -11.024 -2.136 1173 3HG2 THR 152 HG22 THR 152 20.245 -11.415 -0.756 1174 H HIS 153 HN HIS 153 16.997 -8.965 -0.548 1175 HA HIS 153 HA HIS 153 15.999 -6.997 -2.399 1176 1HB HIS 153 HB2 HIS 153 13.562 -7.318 -1.887 1177 2HB HIS 153 HB1 HIS 153 14.252 -8.628 -2.845 1178 HD1 HIS 153 HD1 HIS 153 14.943 -10.836 -1.451 1179 HD2 HIS 153 HD2 HIS 153 12.477 -8.131 0.546 1180 HE1 HIS 153 HE1 HIS 153 13.959 -12.084 0.521 1181 H THR 154 HN THR 154 14.588 -5.353 -1.151 1182 HA THR 154 HA THR 154 15.144 -5.394 1.772 1183 HB THR 154 HB THR 154 15.710 -2.969 0.051 1184 HG1 THR 154 HG1 THR 154 17.693 -3.657 -0.174 1185 1HG2 THR 154 HG21 THR 154 15.182 -2.977 2.648 1186 2HG2 THR 154 HG23 THR 154 16.860 -3.508 2.760 1187 3HG2 THR 154 HG22 THR 154 16.473 -1.967 1.995 1188 H TYR 155 HN TYR 155 13.427 -4.619 2.931 1189 HA TYR 155 HA TYR 155 11.047 -3.728 1.441 1190 1HB TYR 155 HB2 TYR 155 11.532 -4.306 4.378 1191 2HB TYR 155 HB1 TYR 155 9.975 -3.797 3.719 1192 HD1 TYR 155 HD2 TYR 155 8.752 -5.244 2.116 1193 HD2 TYR 155 HD1 TYR 155 12.383 -6.534 4.014 1194 HE1 TYR 155 HE2 TYR 155 8.258 -7.587 1.469 1195 HE2 TYR 155 HE1 TYR 155 11.890 -8.876 3.367 1196 HH TYR 155 HH TYR 155 10.458 -9.981 1.418 1197 H GLU 156 HN GLU 156 11.483 -1.610 0.767 1198 HA GLU 156 HA GLU 156 12.572 0.384 2.599 1199 1HB GLU 156 HB2 GLU 156 11.411 0.494 -0.188 1200 2HB GLU 156 HB1 GLU 156 11.856 1.958 0.688 1201 1HG GLU 156 HG2 GLU 156 14.148 1.255 0.867 1202 2HG GLU 156 HG1 GLU 156 13.759 -0.358 0.266 1203 H VAL 157 HN VAL 157 11.421 2.036 3.640 1204 HA VAL 157 HA VAL 157 8.443 1.938 3.439 1205 HB VAL 157 HB VAL 157 9.997 2.176 6.033 1206 1HG1 VAL 157 HG12 VAL 157 7.058 2.001 5.331 1207 2HG1 VAL 157 HG11 VAL 157 7.668 1.701 6.959 1208 3HG1 VAL 157 HG13 VAL 157 7.882 3.286 6.215 1209 1HG2 VAL 157 HG21 VAL 157 8.742 -0.161 4.612 1210 2HG2 VAL 157 HG23 VAL 157 10.294 -0.075 5.447 1211 3HG2 VAL 157 HG22 VAL 157 8.795 -0.128 6.375 1212 H TRP 158 HN TRP 158 8.233 3.901 2.376 1213 HA TRP 158 HA TRP 158 9.658 6.270 3.464 1214 1HB TRP 158 HB2 TRP 158 7.954 5.927 0.978 1215 2HB TRP 158 HB1 TRP 158 8.785 7.413 1.435 1216 HD1 TRP 158 HD1 TRP 158 9.767 3.689 0.979 1217 HE1 TRP 158 HE1 TRP 158 12.066 3.610 -0.186 1218 HE3 TRP 158 HE3 TRP 158 10.714 8.689 0.556 1219 HZ2 TRP 158 HZ2 TRP 158 14.044 5.428 -1.167 1220 HZ3 TRP 158 HZ3 TRP 158 12.810 9.487 -0.497 1221 HH2 TRP 158 HH2 TRP 158 14.475 7.865 -1.358 1222 H GLN 159 HN GLN 159 8.294 8.311 3.645 1223 HA GLN 159 HA GLN 159 5.452 7.811 4.325 1224 1HB GLN 159 HB2 GLN 159 7.587 8.704 6.257 1225 2HB GLN 159 HB1 GLN 159 5.906 9.191 6.486 1226 1HG GLN 159 HG2 GLN 159 5.347 6.680 6.209 1227 2HG GLN 159 HG1 GLN 159 7.068 6.407 6.486 1228 1HE2 GLN 159 HE22 GLN 159 4.684 7.164 9.631 1229 2HE2 GLN 159 HE21 GLN 159 4.081 6.852 8.075 1230 H LYS 160 HN LYS 160 4.181 9.598 3.903 1231 HA LYS 160 HA LYS 160 5.303 11.757 2.357 1232 1HB LYS 160 HB2 LYS 160 2.889 10.796 2.324 1233 2HB LYS 160 HB1 LYS 160 2.603 11.869 3.695 1234 1HG LYS 160 HG2 LYS 160 3.659 13.708 2.187 1235 2HG LYS 160 HG1 LYS 160 3.330 12.590 0.863 1236 1HD LYS 160 HD2 LYS 160 0.939 12.469 1.685 1237 2HD LYS 160 HD1 LYS 160 1.327 13.787 2.790 1238 1HE LYS 160 HE2 LYS 160 0.321 14.654 0.709 1239 2HE LYS 160 HE1 LYS 160 1.990 15.201 0.879 1240 1HZ LYS 160 HZ1 LYS 160 1.490 12.693 -0.547 1241 2HZ LYS 160 HZ3 LYS 160 1.129 14.147 -1.342 1242 3HZ LYS 160 HZ2 LYS 160 2.708 13.854 -0.788 1243 H LYS 161 HN LYS 161 6.738 13.060 3.460 1244 HA LYS 161 HA LYS 161 5.621 14.728 5.630 1245 1HB LYS 161 HB2 LYS 161 6.796 12.682 6.642 1246 2HB LYS 161 HB1 LYS 161 8.295 13.371 6.015 1247 1HG LYS 161 HG2 LYS 161 7.707 15.512 7.235 1248 2HG LYS 161 HG1 LYS 161 6.392 14.627 8.008 1249 1HD LYS 161 HD2 LYS 161 8.260 14.526 9.513 1250 2HD LYS 161 HD1 LYS 161 8.127 12.933 8.767 1251 1HE LYS 161 HE2 LYS 161 9.977 13.300 7.360 1252 2HE LYS 161 HE1 LYS 161 9.893 15.051 7.554 1253 1HZ LYS 161 HZ3 LYS 161 10.349 14.519 10.015 1254 2HZ LYS 161 HZ2 LYS 161 10.908 13.023 9.435 1255 3HZ LYS 161 HZ1 LYS 161 11.640 14.466 8.918 1256 H ALA 162 HN ALA 162 6.041 16.762 4.948 1257 HA ALA 162 HA ALA 162 8.113 17.336 2.988 1258 1HB ALA 162 HB3 ALA 162 5.872 18.558 3.272 1259 2HB ALA 162 HB2 ALA 162 6.618 19.375 4.646 1260 3HB ALA 162 HB1 ALA 162 7.294 19.572 3.030 1261 1H9 TMQ 170 H91 TMQ 170 0.009 -9.806 -6.869 1262 2H9 TMQ 170 H92 TMQ 170 -1.035 -10.583 -5.670 1263 HN1 TMQ 170 H1N TMQ 170 0.724 -11.889 -7.460 1264 1H17 TMQ 170 HM1 TMQ 170 -1.316 -8.661 -5.234 1265 2H17 TMQ 170 HM2 TMQ 170 -0.635 -7.131 -4.682 1266 3H17 TMQ 170 HM3 TMQ 170 -1.448 -8.205 -3.536 1267 1H21 TMQ 170 HW11 TMQ 170 -2.541 -12.414 -2.904 1268 2H21 TMQ 170 HW12 TMQ 170 -1.020 -12.432 -1.996 1269 3H21 TMQ 170 HW13 TMQ 170 -2.494 -13.092 -1.269 1270 1H22 TMQ 170 HI1 TMQ 170 0.907 -17.423 -1.954 1271 2H22 TMQ 170 HI2 TMQ 170 0.875 -15.654 -1.872 1272 3H22 TMQ 170 HI3 TMQ 170 1.899 -16.467 -3.065 1273 1H23 TMQ 170 HW21 TMQ 170 2.507 -15.935 -7.429 1274 2H23 TMQ 170 HW22 TMQ 170 3.425 -17.098 -6.459 1275 3H23 TMQ 170 HW23 TMQ 170 3.351 -15.398 -5.967 1276 1HN2 TMQ 170 HN21 TMQ 170 4.034 -6.587 0.490 1277 2HN2 TMQ 170 HN22 TMQ 170 5.048 -7.897 -0.014 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.592 -6.580 -2.774 1279 2HN5 TMQ 170 HN42 TMQ 170 0.081 -5.698 -1.475 1280 HN TMQ 170 H1 TMQ 170 4.391 -9.248 -1.739 1281 H7 TMQ 170 H7 TMQ 170 2.371 -11.521 -5.292 1282 H8 TMQ 170 H8 TMQ 170 3.908 -10.796 -3.523 1283 H12 TMQ 170 HP2 TMQ 170 -1.212 -12.111 -4.406 1284 H16 TMQ 170 HP6 TMQ 170 1.662 -14.073 -6.968 No H/Q in entry = 1284 Start of MODEL 18 1 1H THR 1 HT2 THR 1 -2.541 6.667 4.396 2 2H THR 1 HT1 THR 1 -4.218 6.480 4.588 3 3H THR 1 HT3 THR 1 -3.151 5.609 5.578 4 HA THR 1 HA THR 1 -4.010 4.131 3.924 5 HB THR 1 HB THR 1 -2.820 5.981 1.849 6 HG1 THR 1 HG1 THR 1 -5.397 6.057 1.659 7 1HG2 THR 1 HG22 THR 1 -3.251 3.482 1.436 8 2HG2 THR 1 HG21 THR 1 -4.966 3.882 1.543 9 3HG2 THR 1 HG23 THR 1 -3.966 4.613 0.287 10 H ALA 2 HN ALA 2 -2.647 2.423 3.424 11 HA ALA 2 HA ALA 2 0.288 3.002 3.549 12 1HB ALA 2 HB3 ALA 2 -0.654 1.692 5.480 13 2HB ALA 2 HB2 ALA 2 -1.117 0.433 4.336 14 3HB ALA 2 HB1 ALA 2 0.586 0.824 4.575 15 H PHE 3 HN PHE 3 0.985 2.943 1.457 16 HA PHE 3 HA PHE 3 -0.224 1.146 -0.516 17 1HB PHE 3 HB2 PHE 3 1.827 3.308 -0.520 18 2HB PHE 3 HB1 PHE 3 1.954 2.087 -1.786 19 HD1 PHE 3 HD1 PHE 3 -0.945 3.757 -0.070 20 HD2 PHE 3 HD2 PHE 3 1.023 2.844 -3.778 21 HE1 PHE 3 HE1 PHE 3 -2.788 4.850 -1.318 22 HE2 PHE 3 HE2 PHE 3 -0.821 3.937 -5.025 23 HZ PHE 3 HZ PHE 3 -2.726 4.939 -3.795 24 H LEU 4 HN LEU 4 1.001 -0.518 -1.649 25 HA LEU 4 HA LEU 4 3.596 -1.393 -0.707 26 1HB LEU 4 HB2 LEU 4 2.144 -2.084 1.212 27 2HB LEU 4 HB1 LEU 4 1.213 -3.088 0.100 28 HG LEU 4 HG LEU 4 3.629 -4.024 -0.516 29 1HD1 LEU 4 HD12 LEU 4 3.934 -2.631 2.111 30 2HD1 LEU 4 HD11 LEU 4 4.735 -4.189 1.908 31 3HD1 LEU 4 HD13 LEU 4 5.111 -2.855 0.817 32 1HD2 LEU 4 HD21 LEU 4 1.955 -4.739 1.907 33 2HD2 LEU 4 HD23 LEU 4 1.866 -5.451 0.296 34 3HD2 LEU 4 HD22 LEU 4 3.274 -5.749 1.317 35 H TRP 5 HN TRP 5 4.458 -2.278 -2.520 36 HA TRP 5 HA TRP 5 2.836 -4.158 -4.122 37 1HB TRP 5 HB2 TRP 5 3.291 -3.008 -6.231 38 2HB TRP 5 HB1 TRP 5 2.448 -1.915 -5.138 39 HD1 TRP 5 HD1 TRP 5 5.827 -2.525 -6.773 40 HE1 TRP 5 HE1 TRP 5 7.292 -0.423 -6.494 41 HE3 TRP 5 HE3 TRP 5 2.880 0.196 -3.607 42 HZ2 TRP 5 HZ2 TRP 5 7.226 2.079 -5.116 43 HZ3 TRP 5 HZ3 TRP 5 3.608 2.434 -2.831 44 HH2 TRP 5 HH2 TRP 5 5.774 3.378 -3.580 45 H ALA 6 HN ALA 6 4.082 -5.863 -4.738 46 HA ALA 6 HA ALA 6 6.963 -5.791 -4.143 47 1HB ALA 6 HB1 ALA 6 5.564 -7.775 -3.567 48 2HB ALA 6 HB3 ALA 6 5.271 -8.036 -5.287 49 3HB ALA 6 HB2 ALA 6 6.904 -8.187 -4.637 50 H GLN 7 HN GLN 7 8.231 -4.852 -5.681 51 HA GLN 7 HA GLN 7 7.797 -5.681 -8.519 52 1HB GLN 7 HB2 GLN 7 8.516 -3.373 -9.189 53 2HB GLN 7 HB1 GLN 7 6.982 -3.397 -8.317 54 1HG GLN 7 HG2 GLN 7 7.938 -2.545 -6.351 55 2HG GLN 7 HG1 GLN 7 9.568 -3.026 -6.822 56 1HE2 GLN 7 HE22 GLN 7 10.225 0.142 -8.184 57 2HE2 GLN 7 HE21 GLN 7 10.810 -1.247 -7.400 58 H ASP 8 HN ASP 8 9.793 -5.510 -9.834 59 HA ASP 8 HA ASP 8 12.221 -5.955 -8.147 60 1HB ASP 8 HB2 ASP 8 13.090 -7.173 -10.188 61 2HB ASP 8 HB1 ASP 8 11.695 -7.932 -9.422 62 H ARG 9 HN ARG 9 14.306 -5.336 -9.356 63 HA ARG 9 HA ARG 9 14.287 -2.547 -9.936 64 1HB ARG 9 HB2 ARG 9 16.618 -2.944 -10.771 65 2HB ARG 9 HB1 ARG 9 16.319 -3.646 -9.180 66 1HG ARG 9 HG2 ARG 9 16.056 -5.846 -10.106 67 2HG ARG 9 HG1 ARG 9 16.029 -5.214 -11.753 68 1HD ARG 9 HD2 ARG 9 18.409 -4.783 -9.949 69 2HD ARG 9 HD1 ARG 9 18.245 -6.248 -10.918 70 HE ARG 9 HE ARG 9 17.931 -3.744 -12.423 71 1HH1 ARG 9 HH11 ARG 9 20.062 -6.252 -11.306 72 2HH1 ARG 9 HH12 ARG 9 21.243 -5.962 -12.540 73 1HH2 ARG 9 HH21 ARG 9 19.471 -3.379 -14.019 74 2HH2 ARG 9 HH22 ARG 9 20.909 -4.343 -14.068 75 H ASP 10 HN ASP 10 13.527 -5.255 -11.922 76 HA ASP 10 HA ASP 10 14.162 -3.991 -14.473 77 1HB ASP 10 HB2 ASP 10 12.613 -6.448 -13.660 78 2HB ASP 10 HB1 ASP 10 12.632 -5.891 -15.333 79 H GLY 11 HN GLY 11 12.162 -2.837 -12.337 80 1HA GLY 11 HA2 GLY 11 10.240 -1.497 -12.435 81 2HA GLY 11 HA1 GLY 11 10.478 -1.452 -14.182 82 H LEU 12 HN LEU 12 10.014 -4.415 -12.325 83 HA LEU 12 HA LEU 12 7.418 -4.799 -13.764 84 1HB LEU 12 HB2 LEU 12 9.512 -6.367 -14.129 85 2HB LEU 12 HB1 LEU 12 8.983 -7.082 -12.606 86 HG LEU 12 HG LEU 12 6.628 -7.134 -13.724 87 1HD1 LEU 12 HD11 LEU 12 7.514 -5.728 -15.677 88 2HD1 LEU 12 HD13 LEU 12 8.339 -7.191 -16.216 89 3HD1 LEU 12 HD12 LEU 12 6.579 -7.160 -16.107 90 1HD2 LEU 12 HD22 LEU 12 8.406 -9.035 -13.266 91 2HD2 LEU 12 HD21 LEU 12 7.007 -9.364 -14.288 92 3HD2 LEU 12 HD23 LEU 12 8.573 -9.017 -15.021 93 H ILE 13 HN ILE 13 5.787 -6.079 -12.544 94 HA ILE 13 HA ILE 13 6.120 -5.903 -9.583 95 HB ILE 13 HB ILE 13 3.735 -5.131 -9.451 96 1HG1 ILE 13 HG12 ILE 13 4.068 -4.606 -12.418 97 2HG1 ILE 13 HG11 ILE 13 3.159 -5.970 -11.768 98 1HG2 ILE 13 HG23 ILE 13 5.957 -3.551 -10.668 99 2HG2 ILE 13 HG22 ILE 13 4.358 -2.806 -10.620 100 3HG2 ILE 13 HG21 ILE 13 5.135 -3.326 -9.124 101 1HD1 ILE 13 HD12 ILE 13 2.575 -3.133 -10.917 102 2HD1 ILE 13 HD11 ILE 13 1.820 -3.845 -12.343 103 3HD1 ILE 13 HD13 ILE 13 1.548 -4.557 -10.752 104 H GLY 14 HN GLY 14 4.620 -7.414 -12.375 105 1HA GLY 14 HA2 GLY 14 4.421 -9.961 -11.028 106 2HA GLY 14 HA1 GLY 14 2.832 -9.213 -11.190 107 H LYS 15 HN LYS 15 2.722 -11.357 -12.549 108 HA LYS 15 HA LYS 15 2.705 -10.578 -15.345 109 1HB LYS 15 HB2 LYS 15 5.124 -11.193 -14.964 110 2HB LYS 15 HB1 LYS 15 4.585 -12.827 -14.574 111 1HG LYS 15 HG2 LYS 15 3.297 -12.586 -16.885 112 2HG LYS 15 HG1 LYS 15 4.565 -11.403 -17.206 113 1HD LYS 15 HD2 LYS 15 6.197 -13.246 -16.380 114 2HD LYS 15 HD1 LYS 15 4.846 -14.350 -16.640 115 1HE LYS 15 HE2 LYS 15 4.714 -13.773 -18.969 116 2HE LYS 15 HE1 LYS 15 5.844 -12.435 -18.761 117 1HZ LYS 15 HZ3 LYS 15 7.420 -14.273 -17.923 118 2HZ LYS 15 HZ2 LYS 15 6.374 -15.331 -18.743 119 3HZ LYS 15 HZ1 LYS 15 7.178 -14.099 -19.592 120 H ASP 16 HN ASP 16 0.927 -11.566 -16.153 121 HA ASP 16 HA ASP 16 -0.816 -13.108 -16.431 122 1HB ASP 16 HB2 ASP 16 1.565 -14.763 -15.762 123 2HB ASP 16 HB1 ASP 16 -0.007 -15.548 -15.603 124 H GLY 17 HN GLY 17 -0.553 -11.628 -13.905 125 1HA GLY 17 HA2 GLY 17 -2.032 -11.588 -12.030 126 2HA GLY 17 HA1 GLY 17 -2.372 -13.300 -12.292 127 H HIS 18 HN HIS 18 -0.195 -14.669 -12.050 128 HA HIS 18 HA HIS 18 0.650 -14.306 -9.291 129 1HB HIS 18 HB2 HIS 18 2.093 -16.306 -9.767 130 2HB HIS 18 HB1 HIS 18 0.394 -16.562 -10.159 131 HD1 HIS 18 HD1 HIS 18 3.761 -16.077 -11.752 132 HD2 HIS 18 HD2 HIS 18 -0.167 -16.813 -12.937 133 HE1 HIS 18 HE1 HIS 18 3.856 -16.686 -14.209 134 H LEU 19 HN LEU 19 3.154 -14.539 -8.874 135 HA LEU 19 HA LEU 19 4.426 -12.263 -10.260 136 1HB LEU 19 HB2 LEU 19 5.187 -13.906 -7.833 137 2HB LEU 19 HB1 LEU 19 6.228 -12.649 -8.504 138 HG LEU 19 HG LEU 19 3.348 -12.087 -7.803 139 1HD1 LEU 19 HD11 LEU 19 5.786 -11.912 -6.008 140 2HD1 LEU 19 HD13 LEU 19 4.227 -11.171 -5.643 141 3HD1 LEU 19 HD12 LEU 19 4.365 -12.926 -5.756 142 1HD2 LEU 19 HD23 LEU 19 5.818 -10.530 -8.481 143 2HD2 LEU 19 HD22 LEU 19 4.161 -10.293 -9.035 144 3HD2 LEU 19 HD21 LEU 19 4.627 -9.793 -7.410 145 HA PRO 20 HA PRO 20 7.095 -14.809 -12.754 146 1HB PRO 20 HB2 PRO 20 9.212 -13.001 -13.001 147 2HB PRO 20 HB1 PRO 20 7.760 -13.036 -14.009 148 1HG PRO 20 HG2 PRO 20 8.543 -11.057 -12.084 149 2HG PRO 20 HG1 PRO 20 7.133 -11.060 -13.152 150 1HD PRO 20 HD2 PRO 20 7.269 -11.656 -10.303 151 2HD PRO 20 HD1 PRO 20 5.846 -11.393 -11.323 152 H TRP 21 HN TRP 21 8.310 -13.407 -9.782 153 HA TRP 21 HA TRP 21 10.527 -15.411 -9.745 154 1HB TRP 21 HB2 TRP 21 11.469 -13.979 -7.912 155 2HB TRP 21 HB1 TRP 21 11.325 -13.132 -9.452 156 HD1 TRP 21 HD1 TRP 21 9.638 -13.413 -6.019 157 HE1 TRP 21 HE1 TRP 21 8.223 -11.296 -5.623 158 HE3 TRP 21 HE3 TRP 21 10.108 -11.171 -10.584 159 HZ2 TRP 21 HZ2 TRP 21 7.399 -8.960 -7.053 160 HZ3 TRP 21 HZ3 TRP 21 8.998 -9.004 -11.039 161 HH2 TRP 21 HH2 TRP 21 7.645 -7.896 -9.282 162 H HIS 22 HN HIS 22 10.959 -16.350 -7.526 163 HA HIS 22 HA HIS 22 8.368 -16.860 -6.115 164 1HB HIS 22 HB2 HIS 22 9.532 -18.795 -7.355 165 2HB HIS 22 HB1 HIS 22 10.763 -18.703 -6.096 166 HD1 HIS 22 HD1 HIS 22 6.936 -18.641 -6.048 167 HD2 HIS 22 HD2 HIS 22 10.125 -20.521 -4.130 168 HE1 HIS 22 HE1 HIS 22 5.922 -20.172 -4.304 169 H LEU 23 HN LEU 23 8.477 -15.426 -4.408 170 HA LEU 23 HA LEU 23 10.894 -15.624 -2.653 171 1HB LEU 23 HB2 LEU 23 10.474 -13.395 -3.902 172 2HB LEU 23 HB1 LEU 23 9.115 -13.189 -2.797 173 HG LEU 23 HG LEU 23 10.690 -13.512 -0.878 174 1HD1 LEU 23 HD13 LEU 23 12.620 -13.735 -3.172 175 2HD1 LEU 23 HD12 LEU 23 13.169 -13.073 -1.633 176 3HD1 LEU 23 HD11 LEU 23 12.518 -14.711 -1.707 177 1HD2 LEU 23 HD22 LEU 23 10.151 -11.252 -2.264 178 2HD2 LEU 23 HD21 LEU 23 11.193 -11.271 -0.842 179 3HD2 LEU 23 HD23 LEU 23 11.904 -11.299 -2.455 180 HA PRO 24 HA PRO 24 7.207 -17.518 -0.451 181 1HB PRO 24 HB2 PRO 24 9.282 -18.534 1.325 182 2HB PRO 24 HB1 PRO 24 8.131 -19.432 0.326 183 1HG PRO 24 HG2 PRO 24 10.917 -18.980 -0.149 184 2HG PRO 24 HG1 PRO 24 9.772 -19.911 -1.124 185 1HD PRO 24 HD2 PRO 24 10.966 -17.474 -1.845 186 2HD PRO 24 HD1 PRO 24 9.595 -18.250 -2.651 187 H ASP 25 HN ASP 25 10.078 -15.841 0.807 188 HA ASP 25 HA ASP 25 9.036 -15.214 3.394 189 1HB ASP 25 HB2 ASP 25 11.449 -14.943 2.459 190 2HB ASP 25 HB1 ASP 25 10.883 -13.375 1.880 191 H ASP 26 HN ASP 26 8.987 -13.368 0.337 192 HA ASP 26 HA ASP 26 7.567 -11.108 1.376 193 1HB ASP 26 HB2 ASP 26 8.789 -11.147 -0.810 194 2HB ASP 26 HB1 ASP 26 7.519 -12.184 -1.460 195 H LEU 27 HN LEU 27 6.493 -14.184 -0.013 196 HA LEU 27 HA LEU 27 3.706 -13.524 -0.191 197 1HB LEU 27 HB2 LEU 27 5.068 -16.209 0.184 198 2HB LEU 27 HB1 LEU 27 3.369 -15.993 -0.239 199 HG LEU 27 HG LEU 27 5.677 -14.898 -1.870 200 1HD1 LEU 27 HD13 LEU 27 4.208 -17.503 -1.922 201 2HD1 LEU 27 HD12 LEU 27 4.645 -16.768 -3.464 202 3HD1 LEU 27 HD11 LEU 27 5.899 -17.163 -2.288 203 1HD2 LEU 27 HD22 LEU 27 2.678 -14.964 -2.170 204 2HD2 LEU 27 HD21 LEU 27 3.773 -13.593 -2.347 205 3HD2 LEU 27 HD23 LEU 27 3.719 -14.846 -3.587 206 H HIS 28 HN HIS 28 5.768 -14.438 2.464 207 HA HIS 28 HA HIS 28 3.530 -15.132 4.238 208 1HB HIS 28 HB2 HIS 28 6.515 -14.860 4.613 209 2HB HIS 28 HB1 HIS 28 5.430 -15.098 5.983 210 HD1 HIS 28 HD1 HIS 28 3.433 -17.086 4.773 211 HD2 HIS 28 HD2 HIS 28 7.560 -17.419 4.293 212 HE1 HIS 28 HE1 HIS 28 3.898 -19.519 4.242 213 H TYR 29 HN TYR 29 5.525 -12.345 3.495 214 HA TYR 29 HA TYR 29 4.796 -10.797 5.831 215 1HB TYR 29 HB2 TYR 29 6.789 -10.405 4.260 216 2HB TYR 29 HB1 TYR 29 5.630 -9.668 3.153 217 HD1 TYR 29 HD1 TYR 29 6.260 -9.590 6.859 218 HD2 TYR 29 HD2 TYR 29 5.560 -7.350 3.262 219 HE1 TYR 29 HE1 TYR 29 6.364 -7.477 8.155 220 HE2 TYR 29 HE2 TYR 29 5.663 -5.237 4.556 221 HH TYR 29 HH TYR 29 6.760 -4.493 6.773 222 H PHE 30 HN PHE 30 3.346 -11.383 2.700 223 HA PHE 30 HA PHE 30 1.534 -9.145 2.696 224 1HB PHE 30 HB2 PHE 30 2.127 -10.634 0.716 225 2HB PHE 30 HB1 PHE 30 1.047 -11.843 1.411 226 HD1 PHE 30 HD2 PHE 30 1.227 -8.395 0.041 227 HD2 PHE 30 HD1 PHE 30 -1.335 -11.607 1.297 228 HE1 PHE 30 HE2 PHE 30 -0.722 -7.229 -0.953 229 HE2 PHE 30 HE1 PHE 30 -3.285 -10.440 0.302 230 HZ PHE 30 HZ PHE 30 -2.977 -8.251 -0.823 231 H ARG 31 HN ARG 31 1.201 -12.528 3.781 232 HA ARG 31 HA ARG 31 -1.534 -12.288 4.627 233 1HB ARG 31 HB2 ARG 31 -0.180 -14.437 4.258 234 2HB ARG 31 HB1 ARG 31 0.510 -14.147 5.855 235 1HG ARG 31 HG2 ARG 31 -1.676 -14.223 6.888 236 2HG ARG 31 HG1 ARG 31 -2.467 -14.296 5.312 237 1HD ARG 31 HD2 ARG 31 -1.103 -16.444 4.921 238 2HD ARG 31 HD1 ARG 31 -0.783 -16.412 6.655 239 HE ARG 31 HE ARG 31 -3.567 -16.132 6.374 240 1HH1 ARG 31 HH21 ARG 31 -1.102 -18.442 5.561 241 2HH1 ARG 31 HH22 ARG 31 -2.170 -19.800 5.680 242 1HH2 ARG 31 HH11 ARG 31 -4.942 -17.903 6.525 243 2HH2 ARG 31 HH12 ARG 31 -4.332 -19.496 6.223 244 H ALA 32 HN ALA 32 1.540 -11.539 6.159 245 HA ALA 32 HA ALA 32 0.430 -11.201 8.827 246 1HB ALA 32 HB2 ALA 32 3.035 -10.308 7.562 247 2HB ALA 32 HB1 ALA 32 2.638 -10.047 9.261 248 3HB ALA 32 HB3 ALA 32 2.787 -11.688 8.633 249 H GLN 33 HN GLN 33 0.939 -9.148 6.020 250 HA GLN 33 HA GLN 33 0.087 -6.752 7.559 251 1HB GLN 33 HB2 GLN 33 1.242 -7.143 4.791 252 2HB GLN 33 HB1 GLN 33 0.580 -5.597 5.325 253 1HG GLN 33 HG2 GLN 33 2.678 -7.074 6.920 254 2HG GLN 33 HG1 GLN 33 3.104 -5.928 5.648 255 1HE2 GLN 33 HE22 GLN 33 1.619 -3.128 7.490 256 2HE2 GLN 33 HE21 GLN 33 1.626 -3.757 5.914 257 H THR 34 HN THR 34 -1.787 -8.931 6.981 258 HA THR 34 HA THR 34 -3.801 -7.338 5.473 259 HB THR 34 HB THR 34 -4.589 -9.562 4.468 260 HG1 THR 34 HG1 THR 34 -2.133 -10.626 4.460 261 1HG2 THR 34 HG23 THR 34 -2.001 -8.203 3.726 262 2HG2 THR 34 HG22 THR 34 -2.662 -9.512 2.748 263 3HG2 THR 34 HG21 THR 34 -3.587 -8.029 2.977 264 H VAL 35 HN VAL 35 -3.025 -9.813 7.841 265 HA VAL 35 HA VAL 35 -5.736 -10.436 8.599 266 HB VAL 35 HB VAL 35 -4.665 -11.329 10.685 267 1HG1 VAL 35 HG12 VAL 35 -3.466 -12.019 7.992 268 2HG1 VAL 35 HG11 VAL 35 -3.165 -12.971 9.445 269 3HG1 VAL 35 HG13 VAL 35 -4.805 -12.822 8.814 270 1HG2 VAL 35 HG21 VAL 35 -2.212 -10.096 9.399 271 2HG2 VAL 35 HG23 VAL 35 -2.879 -9.732 10.990 272 3HG2 VAL 35 HG22 VAL 35 -2.133 -11.301 10.684 273 H GLY 36 HN GLY 36 -7.124 -9.246 9.816 274 1HA GLY 36 HA2 GLY 36 -7.913 -7.618 11.318 275 2HA GLY 36 HA1 GLY 36 -6.274 -7.505 11.960 276 H LYS 37 HN LYS 37 -6.994 -7.040 8.556 277 HA LYS 37 HA LYS 37 -6.821 -4.094 8.846 278 1HB LYS 37 HB2 LYS 37 -4.829 -5.832 7.386 279 2HB LYS 37 HB1 LYS 37 -5.081 -4.147 6.933 280 1HG LYS 37 HG2 LYS 37 -4.425 -5.046 9.751 281 2HG LYS 37 HG1 LYS 37 -3.215 -4.491 8.592 282 1HD LYS 37 HD2 LYS 37 -4.695 -2.385 8.347 283 2HD LYS 37 HD1 LYS 37 -5.475 -2.925 9.834 284 1HE LYS 37 HE2 LYS 37 -3.751 -1.483 10.578 285 2HE LYS 37 HE1 LYS 37 -3.085 -3.101 10.800 286 1HZ LYS 37 HZ1 LYS 37 -2.613 -1.378 8.428 287 2HZ LYS 37 HZ3 LYS 37 -1.523 -1.582 9.711 288 3HZ LYS 37 HZ2 LYS 37 -1.921 -2.902 8.719 289 H ILE 38 HN ILE 38 -7.254 -3.025 6.686 290 HA ILE 38 HA ILE 38 -9.386 -4.528 5.286 291 HB ILE 38 HB ILE 38 -8.525 -1.641 4.933 292 1HG1 ILE 38 HG12 ILE 38 -10.817 -2.739 6.587 293 2HG1 ILE 38 HG11 ILE 38 -9.269 -2.247 7.273 294 1HG2 ILE 38 HG21 ILE 38 -9.878 -2.758 3.102 295 2HG2 ILE 38 HG23 ILE 38 -11.162 -2.986 4.290 296 3HG2 ILE 38 HG22 ILE 38 -10.653 -1.357 3.843 297 1HD1 ILE 38 HD12 ILE 38 -11.038 -0.436 5.605 298 2HD1 ILE 38 HD11 ILE 38 -11.016 -0.447 7.369 299 3HD1 ILE 38 HD13 ILE 38 -9.573 0.025 6.474 300 H MET 39 HN MET 39 -8.420 -5.899 3.808 301 HA MET 39 HA MET 39 -6.138 -5.034 2.190 302 1HB MET 39 HB2 MET 39 -6.563 -7.423 2.960 303 2HB MET 39 HB1 MET 39 -7.863 -7.485 1.770 304 1HG MET 39 HG2 MET 39 -6.158 -6.768 0.031 305 2HG MET 39 HG1 MET 39 -4.915 -7.038 1.253 306 1HE MET 39 HE3 MET 39 -8.032 -8.183 -0.116 307 2HE MET 39 HE2 MET 39 -7.484 -9.426 -1.237 308 3HE MET 39 HE1 MET 39 -8.168 -9.894 0.319 309 H VAL 40 HN VAL 40 -6.663 -3.429 0.744 310 HA VAL 40 HA VAL 40 -9.177 -3.649 -0.816 311 HB VAL 40 HB VAL 40 -7.083 -1.455 -0.854 312 1HG1 VAL 40 HG12 VAL 40 -9.946 -1.621 -1.838 313 2HG1 VAL 40 HG11 VAL 40 -9.003 -0.132 -1.776 314 3HG1 VAL 40 HG13 VAL 40 -8.499 -1.453 -2.832 315 1HG2 VAL 40 HG22 VAL 40 -9.531 -1.908 0.851 316 2HG2 VAL 40 HG21 VAL 40 -7.909 -1.439 1.360 317 3HG2 VAL 40 HG23 VAL 40 -8.942 -0.279 0.526 318 H VAL 41 HN VAL 41 -9.123 -4.639 -2.764 319 HA VAL 41 HA VAL 41 -6.609 -4.491 -4.368 320 HB VAL 41 HB VAL 41 -7.039 -6.855 -5.088 321 1HG1 VAL 41 HG13 VAL 41 -6.574 -6.255 -2.158 322 2HG1 VAL 41 HG12 VAL 41 -6.367 -7.865 -2.846 323 3HG1 VAL 41 HG11 VAL 41 -5.362 -6.530 -3.408 324 1HG2 VAL 41 HG23 VAL 41 -9.070 -6.740 -2.833 325 2HG2 VAL 41 HG22 VAL 41 -9.439 -6.936 -4.547 326 3HG2 VAL 41 HG21 VAL 41 -8.576 -8.206 -3.681 327 H GLY 42 HN GLY 42 -7.086 -5.103 -6.719 328 1HA GLY 42 HA2 GLY 42 -9.566 -3.712 -7.542 329 2HA GLY 42 HA1 GLY 42 -8.213 -4.125 -8.598 330 H ARG 43 HN ARG 43 -10.039 -4.931 -10.002 331 HA ARG 43 HA ARG 43 -11.445 -7.349 -9.155 332 1HB ARG 43 HB2 ARG 43 -12.301 -5.627 -10.840 333 2HB ARG 43 HB1 ARG 43 -11.151 -6.319 -11.984 334 1HG ARG 43 HG2 ARG 43 -12.201 -8.588 -11.457 335 2HG ARG 43 HG1 ARG 43 -13.486 -7.695 -10.642 336 1HD ARG 43 HD2 ARG 43 -14.223 -6.690 -12.630 337 2HD ARG 43 HD1 ARG 43 -12.690 -6.975 -13.454 338 HE ARG 43 HE ARG 43 -14.203 -9.391 -12.696 339 1HH1 ARG 43 HH21 ARG 43 -13.377 -7.047 -15.124 340 2HH1 ARG 43 HH22 ARG 43 -13.840 -8.071 -16.441 341 1HH2 ARG 43 HH11 ARG 43 -14.801 -10.712 -14.414 342 2HH2 ARG 43 HH12 ARG 43 -14.642 -10.136 -16.039 343 H ARG 44 HN ARG 44 -8.740 -6.591 -11.348 344 HA ARG 44 HA ARG 44 -8.296 -9.321 -12.164 345 1HB ARG 44 HB2 ARG 44 -6.063 -8.452 -12.912 346 2HB ARG 44 HB1 ARG 44 -7.418 -7.492 -13.506 347 1HG ARG 44 HG2 ARG 44 -7.080 -5.844 -11.738 348 2HG ARG 44 HG1 ARG 44 -5.797 -6.828 -11.031 349 1HD ARG 44 HD2 ARG 44 -4.874 -4.992 -12.419 350 2HD ARG 44 HD1 ARG 44 -4.454 -6.576 -13.073 351 HE ARG 44 HE ARG 44 -5.995 -6.200 -14.886 352 1HH1 ARG 44 HH21 ARG 44 -5.905 -3.612 -12.571 353 2HH1 ARG 44 HH22 ARG 44 -6.721 -2.494 -13.612 354 1HH2 ARG 44 HH11 ARG 44 -7.053 -4.741 -16.227 355 2HH2 ARG 44 HH12 ARG 44 -7.367 -3.131 -15.671 356 H THR 45 HN THR 45 -7.208 -7.371 -9.450 357 HA THR 45 HA THR 45 -5.186 -9.305 -8.596 358 HB THR 45 HB THR 45 -6.422 -7.060 -6.977 359 HG1 THR 45 HG1 THR 45 -5.616 -6.144 -8.814 360 1HG2 THR 45 HG21 THR 45 -3.808 -8.582 -6.827 361 2HG2 THR 45 HG23 THR 45 -4.151 -7.125 -5.894 362 3HG2 THR 45 HG22 THR 45 -5.110 -8.583 -5.637 363 H TYR 46 HN TYR 46 -8.575 -8.669 -7.963 364 HA TYR 46 HA TYR 46 -8.813 -10.216 -5.551 365 1HB TYR 46 HB2 TYR 46 -10.511 -8.561 -6.483 366 2HB TYR 46 HB1 TYR 46 -10.976 -9.817 -7.631 367 HD1 TYR 46 HD2 TYR 46 -10.340 -9.417 -3.949 368 HD2 TYR 46 HD1 TYR 46 -12.704 -11.254 -7.029 369 HE1 TYR 46 HE2 TYR 46 -11.773 -10.470 -2.221 370 HE2 TYR 46 HE1 TYR 46 -14.137 -12.308 -5.300 371 HH TYR 46 HH TYR 46 -14.734 -12.115 -3.042 372 H GLU 47 HN GLU 47 -8.849 -11.039 -8.972 373 HA GLU 47 HA GLU 47 -9.579 -13.847 -8.362 374 1HB GLU 47 HB2 GLU 47 -9.069 -12.413 -10.986 375 2HB GLU 47 HB1 GLU 47 -9.531 -14.109 -10.849 376 1HG GLU 47 HG2 GLU 47 -11.653 -13.562 -9.910 377 2HG GLU 47 HG1 GLU 47 -11.172 -11.889 -9.617 378 H SER 48 HN SER 48 -6.791 -11.893 -8.890 379 HA SER 48 HA SER 48 -5.001 -13.814 -10.013 380 1HB SER 48 HB2 SER 48 -3.232 -12.363 -9.258 381 2HB SER 48 HB1 SER 48 -4.576 -11.333 -9.746 382 HG SER 48 HG SER 48 -3.956 -10.612 -7.766 383 H PHE 49 HN PHE 49 -6.319 -13.463 -6.815 384 HA PHE 49 HA PHE 49 -4.304 -14.908 -5.362 385 1HB PHE 49 HB2 PHE 49 -7.276 -14.636 -4.804 386 2HB PHE 49 HB1 PHE 49 -6.068 -15.204 -3.650 387 HD1 PHE 49 HD2 PHE 49 -3.877 -13.550 -3.612 388 HD2 PHE 49 HD1 PHE 49 -7.910 -12.414 -4.558 389 HE1 PHE 49 HE2 PHE 49 -3.362 -11.204 -2.994 390 HE2 PHE 49 HE1 PHE 49 -7.395 -10.069 -3.939 391 HZ PHE 49 HZ PHE 49 -5.121 -9.464 -3.157 392 HA PRO 50 HA PRO 50 -5.223 -19.110 -6.504 393 1HB PRO 50 HB2 PRO 50 -4.491 -20.342 -4.101 394 2HB PRO 50 HB1 PRO 50 -3.393 -19.903 -5.417 395 1HG PRO 50 HG2 PRO 50 -3.561 -18.764 -2.792 396 2HG PRO 50 HG1 PRO 50 -2.434 -18.363 -4.095 397 1HD PRO 50 HD2 PRO 50 -4.803 -16.906 -3.205 398 2HD PRO 50 HD1 PRO 50 -3.502 -16.375 -4.283 399 H LYS 51 HN LYS 51 -5.952 -19.106 -3.007 400 HA LYS 51 HA LYS 51 -8.578 -20.357 -3.629 401 1HB LYS 51 HB2 LYS 51 -6.878 -20.198 -1.138 402 2HB LYS 51 HB1 LYS 51 -8.565 -20.710 -1.073 403 1HG LYS 51 HG2 LYS 51 -8.050 -22.459 -2.788 404 2HG LYS 51 HG1 LYS 51 -6.350 -21.998 -2.693 405 1HD LYS 51 HD2 LYS 51 -6.664 -23.888 -1.228 406 2HD LYS 51 HD1 LYS 51 -6.452 -22.462 -0.211 407 1HE LYS 51 HE2 LYS 51 -8.787 -22.316 0.245 408 2HE LYS 51 HE1 LYS 51 -9.184 -23.458 -1.039 409 1HZ LYS 51 HZ2 LYS 51 -7.498 -24.199 1.279 410 2HZ LYS 51 HZ1 LYS 51 -9.190 -24.354 1.302 411 3HZ LYS 51 HZ3 LYS 51 -8.275 -25.229 0.174 412 H ARG 52 HN ARG 52 -10.213 -18.910 -3.829 413 HA ARG 52 HA ARG 52 -10.170 -16.471 -2.105 414 1HB ARG 52 HB2 ARG 52 -11.476 -17.067 -4.768 415 2HB ARG 52 HB1 ARG 52 -11.927 -15.667 -3.794 416 1HG ARG 52 HG2 ARG 52 -9.848 -14.646 -4.049 417 2HG ARG 52 HG1 ARG 52 -9.027 -16.172 -4.378 418 1HD ARG 52 HD2 ARG 52 -9.185 -14.927 -6.456 419 2HD ARG 52 HD1 ARG 52 -10.276 -16.309 -6.550 420 HE ARG 52 HE ARG 52 -11.466 -13.768 -5.623 421 1HH1 ARG 52 HH11 ARG 52 -10.910 -16.038 -8.194 422 2HH1 ARG 52 HH12 ARG 52 -12.223 -15.449 -9.157 423 1HH2 ARG 52 HH21 ARG 52 -13.167 -13.013 -6.881 424 2HH2 ARG 52 HH22 ARG 52 -13.494 -13.745 -8.416 425 HA PRO 53 HA PRO 53 -11.852 -14.827 -1.970 426 1HB PRO 53 HB2 PRO 53 -13.174 -13.928 0.329 427 2HB PRO 53 HB1 PRO 53 -13.815 -13.884 -1.320 428 1HG PRO 53 HG2 PRO 53 -14.704 -15.486 0.879 429 2HG PRO 53 HG1 PRO 53 -15.352 -15.424 -0.766 430 1HD PRO 53 HD2 PRO 53 -13.620 -17.441 0.457 431 2HD PRO 53 HD1 PRO 53 -14.553 -17.528 -1.045 432 H LEU 54 HN LEU 54 -11.299 -13.244 0.237 433 HA LEU 54 HA LEU 54 -9.218 -14.845 1.672 434 1HB LEU 54 HB2 LEU 54 -9.219 -11.896 0.957 435 2HB LEU 54 HB1 LEU 54 -7.941 -12.734 1.838 436 HG LEU 54 HG LEU 54 -8.860 -13.484 -0.952 437 1HD1 LEU 54 HD12 LEU 54 -6.795 -11.583 0.067 438 2HD1 LEU 54 HD11 LEU 54 -6.369 -12.580 -1.324 439 3HD1 LEU 54 HD13 LEU 54 -7.764 -11.504 -1.403 440 1HD2 LEU 54 HD21 LEU 54 -6.588 -14.383 0.841 441 2HD2 LEU 54 HD23 LEU 54 -7.890 -15.373 0.184 442 3HD2 LEU 54 HD22 LEU 54 -6.644 -14.730 -0.887 443 HA PRO 55 HA PRO 55 -12.078 -13.508 5.017 444 1HB PRO 55 HB2 PRO 55 -11.398 -15.767 6.568 445 2HB PRO 55 HB1 PRO 55 -12.852 -15.557 5.584 446 1HG PRO 55 HG2 PRO 55 -10.670 -17.336 5.133 447 2HG PRO 55 HG1 PRO 55 -12.114 -17.103 4.138 448 1HD PRO 55 HD2 PRO 55 -9.395 -16.157 3.672 449 2HD PRO 55 HD1 PRO 55 -10.773 -16.192 2.560 450 H GLU 56 HN GLU 56 -11.472 -13.715 7.589 451 HA GLU 56 HA GLU 56 -10.067 -12.918 9.286 452 1HB GLU 56 HB2 GLU 56 -7.805 -13.814 7.474 453 2HB GLU 56 HB1 GLU 56 -7.736 -13.570 9.219 454 1HG GLU 56 HG2 GLU 56 -9.627 -15.554 7.942 455 2HG GLU 56 HG1 GLU 56 -7.992 -15.993 8.438 456 H ARG 57 HN ARG 57 -10.860 -11.218 6.958 457 HA ARG 57 HA ARG 57 -9.399 -8.860 7.637 458 1HB ARG 57 HB2 ARG 57 -8.196 -8.515 5.479 459 2HB ARG 57 HB1 ARG 57 -7.561 -9.883 6.391 460 1HG ARG 57 HG2 ARG 57 -9.297 -11.271 4.992 461 2HG ARG 57 HG1 ARG 57 -9.236 -9.890 3.897 462 1HD ARG 57 HD2 ARG 57 -7.515 -11.190 3.035 463 2HD ARG 57 HD1 ARG 57 -6.623 -10.185 4.177 464 HE ARG 57 HE ARG 57 -7.314 -12.347 5.716 465 1HH1 ARG 57 HH11 ARG 57 -5.857 -12.006 2.581 466 2HH1 ARG 57 HH12 ARG 57 -4.941 -13.470 2.717 467 1HH2 ARG 57 HH21 ARG 57 -6.120 -14.244 5.881 468 2HH2 ARG 57 HH22 ARG 57 -5.089 -14.729 4.577 469 H THR 58 HN THR 58 -9.709 -7.309 5.395 470 HA THR 58 HA THR 58 -12.612 -7.629 4.740 471 HB THR 58 HB THR 58 -11.256 -4.951 4.722 472 HG1 THR 58 HG1 THR 58 -12.186 -4.928 6.989 473 1HG2 THR 58 HG23 THR 58 -14.054 -5.925 5.362 474 2HG2 THR 58 HG22 THR 58 -13.545 -4.238 5.368 475 3HG2 THR 58 HG21 THR 58 -13.539 -5.154 3.862 476 H ASN 59 HN ASN 59 -12.816 -8.167 2.628 477 HA ASN 59 HA ASN 59 -10.710 -7.377 0.700 478 1HB ASN 59 HB2 ASN 59 -13.059 -9.272 0.594 479 2HB ASN 59 HB1 ASN 59 -12.187 -8.807 -0.866 480 1HD2 ASN 59 HD22 ASN 59 -9.912 -10.727 1.978 481 2HD2 ASN 59 HD21 ASN 59 -11.001 -9.520 2.466 482 H VAL 60 HN VAL 60 -11.012 -5.268 0.071 483 HA VAL 60 HA VAL 60 -13.771 -4.400 -0.661 484 HB VAL 60 HB VAL 60 -11.284 -2.705 -0.294 485 1HG1 VAL 60 HG13 VAL 60 -14.235 -2.061 -0.558 486 2HG1 VAL 60 HG12 VAL 60 -13.007 -0.886 -0.087 487 3HG1 VAL 60 HG11 VAL 60 -12.951 -1.626 -1.687 488 1HG2 VAL 60 HG22 VAL 60 -13.549 -3.378 1.609 489 2HG2 VAL 60 HG21 VAL 60 -11.838 -3.746 1.828 490 3HG2 VAL 60 HG23 VAL 60 -12.393 -2.072 1.877 491 H VAL 61 HN VAL 61 -14.022 -5.116 -2.771 492 HA VAL 61 HA VAL 61 -11.847 -4.757 -4.726 493 HB VAL 61 HB VAL 61 -14.684 -5.730 -5.175 494 1HG1 VAL 61 HG12 VAL 61 -12.124 -5.867 -6.787 495 2HG1 VAL 61 HG11 VAL 61 -13.536 -6.863 -7.138 496 3HG1 VAL 61 HG13 VAL 61 -13.647 -5.106 -7.250 497 1HG2 VAL 61 HG23 VAL 61 -12.169 -7.118 -4.269 498 2HG2 VAL 61 HG22 VAL 61 -13.812 -7.291 -3.650 499 3HG2 VAL 61 HG21 VAL 61 -13.377 -7.996 -5.207 500 H LEU 62 HN LEU 62 -11.634 -2.921 -5.895 501 HA LEU 62 HA LEU 62 -13.919 -1.012 -5.968 502 1HB LEU 62 HB2 LEU 62 -11.650 -0.259 -5.140 503 2HB LEU 62 HB1 LEU 62 -11.042 -0.516 -6.776 504 HG LEU 62 HG LEU 62 -12.946 1.015 -7.557 505 1HD1 LEU 62 HD13 LEU 62 -13.082 1.331 -4.566 506 2HD1 LEU 62 HD12 LEU 62 -13.515 2.677 -5.621 507 3HD1 LEU 62 HD11 LEU 62 -14.402 1.156 -5.723 508 1HD2 LEU 62 HD23 LEU 62 -10.720 2.085 -5.793 509 2HD2 LEU 62 HD22 LEU 62 -10.631 1.776 -7.527 510 3HD2 LEU 62 HD21 LEU 62 -11.660 3.070 -6.914 511 H THR 63 HN THR 63 -15.146 -1.131 -7.775 512 HA THR 63 HA THR 63 -13.802 -1.331 -10.411 513 HB THR 63 HB THR 63 -14.349 -3.649 -9.914 514 HG1 THR 63 HG1 THR 63 -16.199 -3.801 -11.531 515 1HG2 THR 63 HG23 THR 63 -16.066 -3.113 -8.173 516 2HG2 THR 63 HG22 THR 63 -17.189 -2.694 -9.467 517 3HG2 THR 63 HG21 THR 63 -16.597 -4.348 -9.315 518 H HIS 64 HN HIS 64 -15.002 -0.332 -12.075 519 HA HIS 64 HA HIS 64 -17.291 1.316 -11.117 520 1HB HIS 64 HB2 HIS 64 -15.133 2.230 -12.332 521 2HB HIS 64 HB1 HIS 64 -15.976 1.697 -13.787 522 HD1 HIS 64 HD1 HIS 64 -18.878 2.380 -12.954 523 HD2 HIS 64 HD2 HIS 64 -15.652 4.971 -12.449 524 HE1 HIS 64 HE1 HIS 64 -19.850 4.714 -12.816 525 H GLN 65 HN GLN 65 -17.546 -1.533 -11.836 526 HA GLN 65 HA GLN 65 -19.554 -1.211 -14.022 527 1HB GLN 65 HB2 GLN 65 -17.408 -3.322 -13.759 528 2HB GLN 65 HB1 GLN 65 -18.868 -3.595 -14.712 529 1HG GLN 65 HG2 GLN 65 -18.324 -1.393 -15.901 530 2HG GLN 65 HG1 GLN 65 -16.738 -1.494 -15.138 531 1HE2 GLN 65 HE22 GLN 65 -15.746 -4.388 -17.060 532 2HE2 GLN 65 HE21 GLN 65 -15.551 -3.671 -15.534 533 H GLU 66 HN GLU 66 -21.516 -1.939 -13.374 534 HA GLU 66 HA GLU 66 -21.749 -3.386 -10.823 535 1HB GLU 66 HB2 GLU 66 -23.741 -2.199 -12.762 536 2HB GLU 66 HB1 GLU 66 -24.251 -3.186 -11.392 537 1HG GLU 66 HG2 GLU 66 -23.329 -1.658 -9.814 538 2HG GLU 66 HG1 GLU 66 -22.420 -0.805 -11.062 539 H ASP 67 HN ASP 67 -20.552 -4.733 -13.190 540 HA ASP 67 HA ASP 67 -22.592 -6.844 -13.720 541 1HB ASP 67 HB2 ASP 67 -20.018 -6.079 -15.114 542 2HB ASP 67 HB1 ASP 67 -20.874 -7.581 -15.465 543 H TYR 68 HN TYR 68 -19.341 -6.295 -12.440 544 HA TYR 68 HA TYR 68 -18.716 -9.080 -12.003 545 1HB TYR 68 HB2 TYR 68 -17.073 -7.122 -12.056 546 2HB TYR 68 HB1 TYR 68 -17.621 -6.743 -10.423 547 HD1 TYR 68 HD1 TYR 68 -16.315 -9.586 -12.485 548 HD2 TYR 68 HD2 TYR 68 -16.640 -7.814 -8.585 549 HE1 TYR 68 HE1 TYR 68 -14.799 -11.323 -11.570 550 HE2 TYR 68 HE2 TYR 68 -15.124 -9.552 -7.670 551 HH TYR 68 HH TYR 68 -13.638 -11.994 -9.791 552 H GLN 69 HN GLN 69 -18.625 -10.144 -9.885 553 HA GLN 69 HA GLN 69 -20.302 -8.972 -7.745 554 1HB GLN 69 HB2 GLN 69 -20.929 -11.554 -9.197 555 2HB GLN 69 HB1 GLN 69 -21.586 -11.167 -7.607 556 1HG GLN 69 HG2 GLN 69 -22.437 -8.991 -8.616 557 2HG GLN 69 HG1 GLN 69 -22.009 -9.655 -10.193 558 1HE2 GLN 69 HE22 GLN 69 -24.926 -11.688 -8.110 559 2HE2 GLN 69 HE21 GLN 69 -23.601 -11.053 -7.260 560 H ALA 70 HN ALA 70 -19.682 -9.697 -5.713 561 HA ALA 70 HA ALA 70 -17.768 -11.976 -5.569 562 1HB ALA 70 HB3 ALA 70 -16.675 -9.595 -5.623 563 2HB ALA 70 HB2 ALA 70 -17.267 -9.478 -3.965 564 3HB ALA 70 HB1 ALA 70 -16.135 -10.755 -4.409 565 H GLN 71 HN GLN 71 -18.667 -13.383 -4.156 566 HA GLN 71 HA GLN 71 -20.599 -12.457 -2.142 567 1HB GLN 71 HB2 GLN 71 -19.528 -15.220 -2.797 568 2HB GLN 71 HB1 GLN 71 -20.807 -14.891 -1.627 569 1HG GLN 71 HG2 GLN 71 -21.042 -13.859 -4.443 570 2HG GLN 71 HG1 GLN 71 -21.474 -15.529 -4.074 571 1HE2 GLN 71 HE22 GLN 71 -24.063 -14.335 -1.681 572 2HE2 GLN 71 HE21 GLN 71 -22.698 -15.339 -1.591 573 H GLY 72 HN GLY 72 -20.151 -12.190 0.007 574 1HA GLY 72 HA2 GLY 72 -18.974 -12.292 2.048 575 2HA GLY 72 HA1 GLY 72 -17.918 -13.506 1.325 576 H ALA 73 HN ALA 73 -18.573 -10.210 0.163 577 HA ALA 73 HA ALA 73 -15.952 -9.241 1.052 578 1HB ALA 73 HB2 ALA 73 -16.542 -9.722 -1.882 579 2HB ALA 73 HB1 ALA 73 -15.215 -8.718 -1.299 580 3HB ALA 73 HB3 ALA 73 -15.244 -10.443 -0.930 581 H VAL 74 HN VAL 74 -15.686 -6.925 0.522 582 HA VAL 74 HA VAL 74 -18.322 -5.575 0.387 583 HB VAL 74 HB VAL 74 -15.586 -4.388 0.942 584 1HG1 VAL 74 HG11 VAL 74 -17.381 -2.814 0.203 585 2HG1 VAL 74 HG13 VAL 74 -18.377 -3.367 1.547 586 3HG1 VAL 74 HG12 VAL 74 -16.862 -2.523 1.862 587 1HG2 VAL 74 HG23 VAL 74 -17.720 -5.475 2.804 588 2HG2 VAL 74 HG22 VAL 74 -16.058 -6.044 2.645 589 3HG2 VAL 74 HG21 VAL 74 -16.384 -4.454 3.338 590 H VAL 75 HN VAL 75 -18.814 -5.628 -1.832 591 HA VAL 75 HA VAL 75 -16.858 -4.801 -3.838 592 HB VAL 75 HB VAL 75 -19.859 -5.124 -4.128 593 1HG1 VAL 75 HG11 VAL 75 -18.353 -3.919 -5.902 594 2HG1 VAL 75 HG13 VAL 75 -17.782 -5.548 -6.261 595 3HG1 VAL 75 HG12 VAL 75 -19.492 -5.153 -6.441 596 1HG2 VAL 75 HG22 VAL 75 -18.803 -7.175 -3.232 597 2HG2 VAL 75 HG21 VAL 75 -19.332 -7.410 -4.897 598 3HG2 VAL 75 HG23 VAL 75 -17.625 -7.138 -4.543 599 H VAL 76 HN VAL 76 -16.246 -2.668 -3.524 600 HA VAL 76 HA VAL 76 -18.369 -0.617 -3.179 601 HB VAL 76 HB VAL 76 -16.427 0.926 -2.803 602 1HG1 VAL 76 HG13 VAL 76 -17.537 -0.269 -0.928 603 2HG1 VAL 76 HG12 VAL 76 -16.394 -1.598 -1.120 604 3HG1 VAL 76 HG11 VAL 76 -15.822 -0.007 -0.617 605 1HG2 VAL 76 HG23 VAL 76 -14.885 -1.658 -3.179 606 2HG2 VAL 76 HG22 VAL 76 -14.732 -0.182 -4.131 607 3HG2 VAL 76 HG21 VAL 76 -14.197 -0.206 -2.451 608 H HIS 77 HN HIS 77 -18.300 1.314 -4.578 609 HA HIS 77 HA HIS 77 -16.964 0.895 -7.207 610 1HB HIS 77 HB2 HIS 77 -19.895 1.598 -6.849 611 2HB HIS 77 HB1 HIS 77 -19.042 1.500 -8.389 612 HD1 HIS 77 HD1 HIS 77 -18.718 -0.800 -9.408 613 HD2 HIS 77 HD2 HIS 77 -20.167 -0.980 -5.504 614 HE1 HIS 77 HE1 HIS 77 -19.327 -3.221 -8.981 615 H ASP 78 HN ASP 78 -16.543 2.709 -4.872 616 HA ASP 78 HA ASP 78 -16.279 5.190 -6.389 617 1HB ASP 78 HB2 ASP 78 -18.386 4.849 -4.290 618 2HB ASP 78 HB1 ASP 78 -17.533 6.390 -4.373 619 H VAL 79 HN VAL 79 -14.770 6.599 -5.402 620 HA VAL 79 HA VAL 79 -12.907 5.375 -3.577 621 HB VAL 79 HB VAL 79 -13.162 8.313 -4.292 622 1HG1 VAL 79 HG11 VAL 79 -11.657 7.562 -2.355 623 2HG1 VAL 79 HG13 VAL 79 -10.685 6.734 -3.571 624 3HG1 VAL 79 HG12 VAL 79 -10.876 8.486 -3.639 625 1HG2 VAL 79 HG23 VAL 79 -13.055 6.818 -6.294 626 2HG2 VAL 79 HG22 VAL 79 -11.618 7.828 -6.126 627 3HG2 VAL 79 HG21 VAL 79 -11.561 6.127 -5.662 628 H ALA 80 HN ALA 80 -15.586 7.636 -3.184 629 HA ALA 80 HA ALA 80 -14.988 8.369 -0.458 630 1HB ALA 80 HB1 ALA 80 -17.604 8.384 -1.996 631 2HB ALA 80 HB3 ALA 80 -17.372 9.122 -0.411 632 3HB ALA 80 HB2 ALA 80 -16.491 9.740 -1.809 633 H ALA 81 HN ALA 81 -16.783 5.730 -1.956 634 HA ALA 81 HA ALA 81 -18.060 4.772 0.436 635 1HB ALA 81 HB2 ALA 81 -18.719 4.105 -1.884 636 2HB ALA 81 HB1 ALA 81 -17.222 3.179 -2.007 637 3HB ALA 81 HB3 ALA 81 -18.448 2.720 -0.825 638 H VAL 82 HN VAL 82 -14.899 4.191 -1.031 639 HA VAL 82 HA VAL 82 -14.140 1.996 0.668 640 HB VAL 82 HB VAL 82 -12.327 4.033 -0.659 641 1HG1 VAL 82 HG11 VAL 82 -11.907 1.165 0.239 642 2HG1 VAL 82 HG13 VAL 82 -10.730 2.124 -0.658 643 3HG1 VAL 82 HG12 VAL 82 -11.195 2.602 0.975 644 1HG2 VAL 82 HG21 VAL 82 -13.864 1.679 -1.706 645 2HG2 VAL 82 HG23 VAL 82 -13.534 3.230 -2.479 646 3HG2 VAL 82 HG22 VAL 82 -12.265 2.010 -2.372 647 H PHE 83 HN PHE 83 -13.531 5.510 0.861 648 HA PHE 83 HA PHE 83 -12.103 5.345 3.372 649 1HB PHE 83 HB2 PHE 83 -13.444 7.628 1.902 650 2HB PHE 83 HB1 PHE 83 -12.599 7.848 3.436 651 HD1 PHE 83 HD2 PHE 83 -10.213 6.489 3.455 652 HD2 PHE 83 HD1 PHE 83 -12.192 8.118 0.007 653 HE1 PHE 83 HE2 PHE 83 -8.046 6.575 2.250 654 HE2 PHE 83 HE1 PHE 83 -10.026 8.203 -1.196 655 HZ PHE 83 HZ PHE 83 -7.952 7.432 -0.074 656 H ALA 84 HN ALA 84 -15.474 5.565 2.471 657 HA ALA 84 HA ALA 84 -16.517 6.492 4.977 658 1HB ALA 84 HB2 ALA 84 -17.717 4.840 2.744 659 2HB ALA 84 HB1 ALA 84 -18.642 5.330 4.163 660 3HB ALA 84 HB3 ALA 84 -17.975 6.552 3.082 661 H TYR 85 HN TYR 85 -15.711 3.272 3.744 662 HA TYR 85 HA TYR 85 -16.822 1.841 6.006 663 1HB TYR 85 HB2 TYR 85 -16.313 0.869 3.706 664 2HB TYR 85 HB1 TYR 85 -14.613 0.884 4.172 665 HD1 TYR 85 HD1 TYR 85 -13.797 -0.527 6.028 666 HD2 TYR 85 HD2 TYR 85 -17.882 -0.684 4.707 667 HE1 TYR 85 HE1 TYR 85 -14.114 -2.656 7.260 668 HE2 TYR 85 HE2 TYR 85 -18.198 -2.813 5.938 669 HH TYR 85 HH TYR 85 -17.073 -3.936 7.987 670 H ALA 86 HN ALA 86 -13.669 3.225 5.229 671 HA ALA 86 HA ALA 86 -12.235 2.005 7.415 672 1HB ALA 86 HB1 ALA 86 -11.709 4.540 5.836 673 2HB ALA 86 HB3 ALA 86 -10.577 3.844 6.997 674 3HB ALA 86 HB2 ALA 86 -11.010 2.948 5.540 675 H LYS 87 HN LYS 87 -14.270 4.846 7.114 676 HA LYS 87 HA LYS 87 -13.466 6.167 9.533 677 1HB LYS 87 HB2 LYS 87 -14.949 7.042 7.585 678 2HB LYS 87 HB1 LYS 87 -16.276 6.256 8.442 679 1HG LYS 87 HG2 LYS 87 -15.899 7.586 10.411 680 2HG LYS 87 HG1 LYS 87 -14.391 8.226 9.759 681 1HD LYS 87 HD2 LYS 87 -15.528 9.499 8.097 682 2HD LYS 87 HD1 LYS 87 -17.043 8.640 8.371 683 1HE LYS 87 HE2 LYS 87 -15.675 10.381 10.441 684 2HE LYS 87 HE1 LYS 87 -17.004 10.918 9.414 685 1HZ LYS 87 HZ1 LYS 87 -17.589 8.433 10.672 686 2HZ LYS 87 HZ3 LYS 87 -17.219 9.624 11.821 687 3HZ LYS 87 HZ2 LYS 87 -18.466 9.887 10.700 688 H GLN 88 HN GLN 88 -15.991 3.754 8.837 689 HA GLN 88 HA GLN 88 -17.082 3.691 11.494 690 1HB GLN 88 HB2 GLN 88 -17.114 1.756 9.177 691 2HB GLN 88 HB1 GLN 88 -17.857 1.346 10.724 692 1HG GLN 88 HG2 GLN 88 -19.187 3.472 10.577 693 2HG GLN 88 HG1 GLN 88 -18.538 3.709 8.954 694 1HE2 GLN 88 HE22 GLN 88 -21.767 1.455 9.300 695 2HE2 GLN 88 HE21 GLN 88 -21.274 2.641 10.409 696 H HIS 89 HN HIS 89 -14.329 2.125 9.979 697 HA HIS 89 HA HIS 89 -13.754 0.761 12.581 698 1HB HIS 89 HB2 HIS 89 -13.236 -0.096 9.732 699 2HB HIS 89 HB1 HIS 89 -12.326 -0.782 11.078 700 HD1 HIS 89 HD1 HIS 89 -13.334 -2.971 11.694 701 HD2 HIS 89 HD2 HIS 89 -16.260 -0.173 10.702 702 HE1 HIS 89 HE1 HIS 89 -15.566 -4.112 12.054 703 HA PRO 90 HA PRO 90 -10.344 3.803 12.008 704 1HB PRO 90 HB2 PRO 90 -10.282 4.410 14.741 705 2HB PRO 90 HB1 PRO 90 -11.115 5.342 13.491 706 1HG PRO 90 HG2 PRO 90 -12.267 3.802 15.612 707 2HG PRO 90 HG1 PRO 90 -13.095 4.757 14.373 708 1HD PRO 90 HD2 PRO 90 -12.742 1.859 14.531 709 2HD PRO 90 HD1 PRO 90 -13.830 2.800 13.498 710 H ASP 91 HN ASP 91 -10.823 1.077 14.123 711 HA ASP 91 HA ASP 91 -8.164 0.940 15.225 712 1HB ASP 91 HB2 ASP 91 -10.386 -1.068 14.856 713 2HB ASP 91 HB1 ASP 91 -8.819 -1.550 15.504 714 H GLN 92 HN GLN 92 -9.567 -0.007 12.171 715 HA GLN 92 HA GLN 92 -7.095 -1.492 11.435 716 1HB GLN 92 HB2 GLN 92 -9.773 -1.229 10.034 717 2HB GLN 92 HB1 GLN 92 -8.407 -2.157 9.414 718 1HG GLN 92 HG2 GLN 92 -8.460 -3.645 11.312 719 2HG GLN 92 HG1 GLN 92 -9.651 -2.635 12.134 720 1HE2 GLN 92 HE22 GLN 92 -10.985 -5.513 9.738 721 2HE2 GLN 92 HE21 GLN 92 -9.421 -5.458 10.393 722 H GLU 93 HN GLU 93 -6.417 -1.051 9.046 723 HA GLU 93 HA GLU 93 -6.632 1.870 8.448 724 1HB GLU 93 HB2 GLU 93 -4.186 0.162 8.769 725 2HB GLU 93 HB1 GLU 93 -4.156 1.482 7.600 726 1HG GLU 93 HG2 GLU 93 -3.423 2.566 9.530 727 2HG GLU 93 HG1 GLU 93 -5.157 2.884 9.590 728 H LEU 94 HN LEU 94 -5.863 2.298 6.124 729 HA LEU 94 HA LEU 94 -7.096 0.251 4.371 730 1HB LEU 94 HB2 LEU 94 -7.569 2.824 4.324 731 2HB LEU 94 HB1 LEU 94 -6.053 2.911 3.426 732 HG LEU 94 HG LEU 94 -7.042 1.047 1.940 733 1HD1 LEU 94 HD13 LEU 94 -9.479 1.995 3.462 734 2HD1 LEU 94 HD12 LEU 94 -9.595 1.217 1.884 735 3HD1 LEU 94 HD11 LEU 94 -8.908 0.340 3.252 736 1HD2 LEU 94 HD23 LEU 94 -7.989 3.909 2.034 737 2HD2 LEU 94 HD22 LEU 94 -6.812 3.173 0.946 738 3HD2 LEU 94 HD21 LEU 94 -8.529 2.823 0.754 739 H VAL 95 HN VAL 95 -5.897 -1.012 3.018 740 HA VAL 95 HA VAL 95 -3.025 -0.286 2.604 741 HB VAL 95 HB VAL 95 -4.109 -3.092 2.989 742 1HG1 VAL 95 HG11 VAL 95 -1.346 -1.914 2.630 743 2HG1 VAL 95 HG13 VAL 95 -1.607 -3.528 3.289 744 3HG1 VAL 95 HG12 VAL 95 -2.133 -3.151 1.649 745 1HG2 VAL 95 HG23 VAL 95 -4.235 -1.766 5.077 746 2HG2 VAL 95 HG22 VAL 95 -2.985 -3.005 5.184 747 3HG2 VAL 95 HG21 VAL 95 -2.538 -1.324 4.894 748 H ILE 96 HN ILE 96 -2.500 -0.181 0.477 749 HA ILE 96 HA ILE 96 -4.410 -1.341 -1.497 750 HB ILE 96 HB ILE 96 -2.199 0.676 -1.974 751 1HG1 ILE 96 HG12 ILE 96 -3.866 1.581 -0.392 752 2HG1 ILE 96 HG11 ILE 96 -3.995 2.378 -1.956 753 1HG2 ILE 96 HG21 ILE 96 -3.114 -0.711 -3.907 754 2HG2 ILE 96 HG23 ILE 96 -4.661 0.093 -3.634 755 3HG2 ILE 96 HG22 ILE 96 -3.245 1.039 -4.093 756 1HD1 ILE 96 HD12 ILE 96 -5.877 0.883 -2.558 757 2HD1 ILE 96 HD11 ILE 96 -5.758 0.109 -0.977 758 3HD1 ILE 96 HD13 ILE 96 -6.229 1.805 -1.096 759 H ALA 97 HN ALA 97 -3.797 -3.250 -2.361 760 HA ALA 97 HA ALA 97 -0.881 -3.885 -2.489 761 1HB ALA 97 HB1 ALA 97 -3.360 -5.561 -2.217 762 2HB ALA 97 HB3 ALA 97 -1.907 -6.269 -2.920 763 3HB ALA 97 HB2 ALA 97 -1.868 -5.623 -1.280 764 H GLY 98 HN GLY 98 -3.774 -3.430 -4.380 765 1HA GLY 98 HA2 GLY 98 -2.533 -2.943 -6.821 766 2HA GLY 98 HA1 GLY 98 -2.790 -4.689 -6.801 767 H GLY 99 HN GLY 99 -5.866 -3.392 -8.356 768 1HA GLY 99 HA2 GLY 99 -3.137 -4.391 -8.832 769 2HA GLY 99 HA1 GLY 99 -4.369 -4.108 -10.062 770 H ALA 100 HN ALA 100 -2.713 -2.982 -11.314 771 HA ALA 100 HA ALA 100 -1.325 -0.665 -10.348 772 1HB ALA 100 HB2 ALA 100 -0.863 -2.044 -12.477 773 2HB ALA 100 HB1 ALA 100 -2.144 -1.089 -13.224 774 3HB ALA 100 HB3 ALA 100 -0.698 -0.292 -12.605 775 H GLN 101 HN GLN 101 -4.531 -1.152 -11.699 776 HA GLN 101 HA GLN 101 -5.081 1.658 -12.170 777 1HB GLN 101 HB2 GLN 101 -6.868 -0.771 -11.885 778 2HB GLN 101 HB1 GLN 101 -7.485 0.842 -12.244 779 1HG GLN 101 HG2 GLN 101 -5.718 0.828 -14.164 780 2HG GLN 101 HG1 GLN 101 -5.728 -0.920 -13.934 781 1HE2 GLN 101 HE22 GLN 101 -8.539 -1.125 -16.045 782 2HE2 GLN 101 HE21 GLN 101 -6.979 -1.681 -15.674 783 H ILE 102 HN ILE 102 -5.467 -0.551 -9.453 784 HA ILE 102 HA ILE 102 -7.142 1.191 -7.869 785 HB ILE 102 HB ILE 102 -5.247 -0.971 -6.907 786 1HG1 ILE 102 HG12 ILE 102 -6.763 -1.835 -8.656 787 2HG1 ILE 102 HG11 ILE 102 -7.194 -2.486 -7.077 788 1HG2 ILE 102 HG22 ILE 102 -6.157 0.537 -5.159 789 2HG2 ILE 102 HG21 ILE 102 -7.792 0.161 -5.703 790 3HG2 ILE 102 HG23 ILE 102 -6.782 -1.103 -4.999 791 1HD1 ILE 102 HD13 ILE 102 -8.949 -0.718 -6.870 792 2HD1 ILE 102 HD12 ILE 102 -8.558 -0.179 -8.503 793 3HD1 ILE 102 HD11 ILE 102 -9.225 -1.791 -8.243 794 H PHE 103 HN PHE 103 -3.642 0.737 -8.181 795 HA PHE 103 HA PHE 103 -2.866 2.372 -5.963 796 1HB PHE 103 HB2 PHE 103 -1.485 1.611 -8.543 797 2HB PHE 103 HB1 PHE 103 -0.710 2.640 -7.339 798 HD1 PHE 103 HD1 PHE 103 -1.348 1.602 -4.785 799 HD2 PHE 103 HD2 PHE 103 -0.700 -0.578 -8.429 800 HE1 PHE 103 HE1 PHE 103 -0.717 -0.404 -3.472 801 HE2 PHE 103 HE2 PHE 103 -0.070 -2.584 -7.115 802 HZ PHE 103 HZ PHE 103 -0.079 -2.497 -4.637 803 H THR 104 HN THR 104 -2.973 3.187 -9.454 804 HA THR 104 HA THR 104 -2.512 5.983 -9.089 805 HB THR 104 HB THR 104 -4.198 4.952 -11.351 806 HG1 THR 104 HG1 THR 104 -1.681 4.665 -11.997 807 1HG2 THR 104 HG21 THR 104 -1.882 6.896 -11.144 808 2HG2 THR 104 HG23 THR 104 -2.776 6.529 -12.619 809 3HG2 THR 104 HG22 THR 104 -3.587 7.329 -11.273 810 H ALA 105 HN ALA 105 -5.281 4.059 -8.455 811 HA ALA 105 HA ALA 105 -7.222 6.241 -8.760 812 1HB ALA 105 HB2 ALA 105 -7.381 3.416 -7.698 813 2HB ALA 105 HB1 ALA 105 -8.739 4.535 -7.578 814 3HB ALA 105 HB3 ALA 105 -8.114 4.073 -9.161 815 H PHE 106 HN PHE 106 -5.155 4.961 -6.275 816 HA PHE 106 HA PHE 106 -6.466 6.789 -4.298 817 1HB PHE 106 HB2 PHE 106 -5.242 4.058 -3.968 818 2HB PHE 106 HB1 PHE 106 -5.315 5.173 -2.603 819 HD1 PHE 106 HD2 PHE 106 -7.607 6.232 -2.050 820 HD2 PHE 106 HD1 PHE 106 -7.128 2.780 -4.562 821 HE1 PHE 106 HE2 PHE 106 -9.989 5.641 -1.691 822 HE2 PHE 106 HE1 PHE 106 -9.510 2.189 -4.202 823 HZ PHE 106 HZ PHE 106 -10.939 3.619 -2.766 824 H LYS 107 HN LYS 107 -4.086 7.006 -6.296 825 HA LYS 107 HA LYS 107 -1.690 7.242 -4.728 826 1HB LYS 107 HB2 LYS 107 -0.876 8.629 -6.652 827 2HB LYS 107 HB1 LYS 107 -1.562 7.084 -7.153 828 1HG LYS 107 HG2 LYS 107 -3.719 8.211 -7.629 829 2HG LYS 107 HG1 LYS 107 -2.997 9.756 -7.176 830 1HD LYS 107 HD2 LYS 107 -1.197 9.217 -8.952 831 2HD LYS 107 HD1 LYS 107 -2.331 7.997 -9.536 832 1HE LYS 107 HE2 LYS 107 -4.080 9.795 -9.699 833 2HE LYS 107 HE1 LYS 107 -2.833 10.976 -9.298 834 1HZ LYS 107 HZ3 LYS 107 -1.557 9.999 -11.230 835 2HZ LYS 107 HZ2 LYS 107 -3.005 9.235 -11.682 836 3HZ LYS 107 HZ1 LYS 107 -2.919 10.930 -11.620 837 H ASP 108 HN ASP 108 -4.366 9.428 -5.388 838 HA ASP 108 HA ASP 108 -3.006 11.757 -4.245 839 1HB ASP 108 HB2 ASP 108 -4.914 11.708 -6.027 840 2HB ASP 108 HB1 ASP 108 -5.984 11.542 -4.635 841 H ASP 109 HN ASP 109 -3.373 9.254 -2.610 842 HA ASP 109 HA ASP 109 -4.246 10.587 -0.157 843 1HB ASP 109 HB2 ASP 109 -5.912 8.485 -1.503 844 2HB ASP 109 HB1 ASP 109 -5.845 8.525 0.259 845 H VAL 110 HN VAL 110 -1.816 9.334 -1.178 846 HA VAL 110 HA VAL 110 -1.607 6.896 0.520 847 HB VAL 110 HB VAL 110 -0.857 6.677 -1.822 848 1HG1 VAL 110 HG12 VAL 110 1.064 8.896 -1.061 849 2HG1 VAL 110 HG11 VAL 110 1.189 7.934 -2.534 850 3HG1 VAL 110 HG13 VAL 110 -0.211 8.975 -2.277 851 1HG2 VAL 110 HG23 VAL 110 0.336 5.554 0.193 852 2HG2 VAL 110 HG22 VAL 110 1.171 5.558 -1.360 853 3HG2 VAL 110 HG21 VAL 110 1.628 6.716 -0.110 854 H ASP 111 HN ASP 111 0.321 6.709 1.917 855 HA ASP 111 HA ASP 111 1.590 9.291 2.667 856 1HB ASP 111 HB2 ASP 111 -0.520 8.639 4.098 857 2HB ASP 111 HB1 ASP 111 0.580 7.477 4.840 858 H THR 112 HN THR 112 1.429 5.797 3.423 859 HA THR 112 HA THR 112 4.389 5.829 3.811 860 HB THR 112 HB THR 112 2.505 3.572 4.518 861 HG1 THR 112 HG1 THR 112 1.747 4.994 5.881 862 1HG2 THR 112 HG22 THR 112 5.293 4.388 5.369 863 2HG2 THR 112 HG21 THR 112 4.359 3.129 6.177 864 3HG2 THR 112 HG23 THR 112 4.825 2.933 4.488 865 H LEU 113 HN LEU 113 5.386 5.376 1.900 866 HA LEU 113 HA LEU 113 4.113 3.506 -0.013 867 1HB LEU 113 HB2 LEU 113 6.544 5.305 -0.196 868 2HB LEU 113 HB1 LEU 113 6.061 4.195 -1.480 869 HG LEU 113 HG LEU 113 4.059 6.129 -0.344 870 1HD1 LEU 113 HD11 LEU 113 6.140 6.703 -2.473 871 2HD1 LEU 113 HD13 LEU 113 4.720 7.705 -2.177 872 3HD1 LEU 113 HD12 LEU 113 5.955 7.536 -0.930 873 1HD2 LEU 113 HD23 LEU 113 4.476 4.854 -3.068 874 2HD2 LEU 113 HD22 LEU 113 3.305 4.334 -1.857 875 3HD2 LEU 113 HD21 LEU 113 3.132 5.909 -2.631 876 H LEU 114 HN LEU 114 4.518 1.389 0.417 877 HA LEU 114 HA LEU 114 7.224 0.632 1.428 878 1HB LEU 114 HB2 LEU 114 4.576 -0.846 1.464 879 2HB LEU 114 HB1 LEU 114 6.103 -1.546 2.005 880 HG LEU 114 HG LEU 114 5.192 1.095 3.116 881 1HD1 LEU 114 HD11 LEU 114 4.327 -1.658 4.052 882 2HD1 LEU 114 HD13 LEU 114 4.101 -0.169 4.970 883 3HD1 LEU 114 HD12 LEU 114 3.275 -0.388 3.427 884 1HD2 LEU 114 HD21 LEU 114 6.986 -1.181 3.972 885 2HD2 LEU 114 HD23 LEU 114 7.407 0.516 3.742 886 3HD2 LEU 114 HD22 LEU 114 6.424 0.031 5.124 887 H VAL 115 HN VAL 115 8.465 0.356 -0.407 888 HA VAL 115 HA VAL 115 7.330 -1.322 -2.599 889 HB VAL 115 HB VAL 115 8.118 0.921 -3.273 890 1HG1 VAL 115 HG12 VAL 115 9.829 1.194 -1.504 891 2HG1 VAL 115 HG11 VAL 115 10.822 -0.034 -2.287 892 3HG1 VAL 115 HG13 VAL 115 10.499 1.494 -3.106 893 1HG2 VAL 115 HG21 VAL 115 8.419 -1.204 -4.715 894 2HG2 VAL 115 HG23 VAL 115 9.351 0.222 -5.170 895 3HG2 VAL 115 HG22 VAL 115 10.127 -1.093 -4.288 896 H THR 116 HN THR 116 8.210 -3.310 -2.983 897 HA THR 116 HA THR 116 10.585 -4.091 -1.346 898 HB THR 116 HB THR 116 8.602 -5.931 -2.710 899 HG1 THR 116 HG1 THR 116 8.006 -6.092 -0.317 900 1HG2 THR 116 HG23 THR 116 10.868 -6.814 -2.058 901 2HG2 THR 116 HG22 THR 116 10.485 -6.403 -0.386 902 3HG2 THR 116 HG21 THR 116 9.524 -7.612 -1.240 903 H ARG 117 HN ARG 117 12.268 -3.499 -2.731 904 HA ARG 117 HA ARG 117 12.191 -4.207 -5.576 905 1HB ARG 117 HB2 ARG 117 14.419 -3.087 -3.846 906 2HB ARG 117 HB1 ARG 117 14.491 -3.261 -5.600 907 1HG ARG 117 HG2 ARG 117 12.355 -1.850 -5.681 908 2HG ARG 117 HG1 ARG 117 12.665 -1.473 -3.985 909 1HD ARG 117 HD2 ARG 117 15.066 -0.857 -4.837 910 2HD ARG 117 HD1 ARG 117 14.280 -0.735 -6.411 911 HE ARG 117 HE ARG 117 12.802 0.735 -4.412 912 1HH1 ARG 117 HH11 ARG 117 15.642 0.812 -6.413 913 2HH1 ARG 117 HH12 ARG 117 15.706 2.542 -6.463 914 1HH2 ARG 117 HH21 ARG 117 12.896 2.980 -4.485 915 2HH2 ARG 117 HH22 ARG 117 14.159 3.763 -5.375 916 H LEU 118 HN LEU 118 13.572 -5.758 -6.573 917 HA LEU 118 HA LEU 118 14.736 -7.778 -4.695 918 1HB LEU 118 HB2 LEU 118 12.870 -8.060 -6.965 919 2HB LEU 118 HB1 LEU 118 14.230 -9.182 -7.012 920 HG LEU 118 HG LEU 118 13.703 -9.709 -4.568 921 1HD1 LEU 118 HD12 LEU 118 11.133 -8.286 -5.328 922 2HD1 LEU 118 HD11 LEU 118 11.394 -9.204 -3.845 923 3HD1 LEU 118 HD13 LEU 118 12.307 -7.724 -4.137 924 1HD2 LEU 118 HD22 LEU 118 13.064 -11.106 -6.605 925 2HD2 LEU 118 HD21 LEU 118 12.061 -11.351 -5.175 926 3HD2 LEU 118 HD23 LEU 118 11.469 -10.360 -6.508 927 H ALA 119 HN ALA 119 16.784 -8.560 -5.221 928 HA ALA 119 HA ALA 119 18.396 -6.916 -6.996 929 1HB ALA 119 HB3 ALA 119 19.024 -9.471 -5.485 930 2HB ALA 119 HB2 ALA 119 20.218 -8.518 -6.366 931 3HB ALA 119 HB1 ALA 119 19.393 -7.825 -4.970 932 H GLY 120 HN GLY 120 16.948 -10.135 -7.152 933 1HA GLY 120 HA2 GLY 120 18.298 -10.909 -9.602 934 2HA GLY 120 HA1 GLY 120 16.891 -11.712 -8.903 935 H SER 121 HN SER 121 17.658 -10.550 -11.700 936 HA SER 121 HA SER 121 15.471 -8.625 -12.138 937 1HB SER 121 HB2 SER 121 16.285 -8.860 -14.568 938 2HB SER 121 HB1 SER 121 17.419 -8.158 -13.417 939 HG SER 121 HG SER 121 17.304 -10.863 -14.285 940 H PHE 122 HN PHE 122 13.576 -9.083 -13.286 941 HA PHE 122 HA PHE 122 13.176 -11.837 -14.315 942 1HB PHE 122 HB2 PHE 122 11.429 -10.523 -12.213 943 2HB PHE 122 HB1 PHE 122 10.999 -11.992 -13.088 944 HD1 PHE 122 HD2 PHE 122 12.284 -14.078 -12.765 945 HD2 PHE 122 HD1 PHE 122 13.135 -10.533 -10.494 946 HE1 PHE 122 HE2 PHE 122 13.608 -15.425 -11.159 947 HE2 PHE 122 HE1 PHE 122 14.459 -11.880 -8.887 948 HZ PHE 122 HZ PHE 122 14.695 -14.326 -9.219 949 H GLU 123 HN GLU 123 11.819 -11.868 -16.087 950 HA GLU 123 HA GLU 123 10.798 -9.231 -17.007 951 1HB GLU 123 HB2 GLU 123 11.240 -11.864 -18.443 952 2HB GLU 123 HB1 GLU 123 10.515 -10.446 -19.201 953 1HG GLU 123 HG2 GLU 123 12.524 -9.141 -18.811 954 2HG GLU 123 HG1 GLU 123 13.245 -10.458 -17.884 955 H GLY 124 HN GLY 124 8.606 -9.043 -17.774 956 1HA GLY 124 HA2 GLY 124 6.730 -11.255 -17.343 957 2HA GLY 124 HA1 GLY 124 6.546 -9.919 -16.205 958 H ASP 125 HN ASP 125 4.832 -8.716 -16.853 959 HA ASP 125 HA ASP 125 4.834 -7.633 -19.608 960 1HB ASP 125 HB2 ASP 125 2.399 -8.182 -19.863 961 2HB ASP 125 HB1 ASP 125 3.435 -9.609 -19.839 962 H THR 126 HN THR 126 3.513 -7.640 -16.333 963 HA THR 126 HA THR 126 2.301 -4.974 -16.718 964 HB THR 126 HB THR 126 2.526 -6.405 -14.077 965 HG1 THR 126 HG1 THR 126 0.234 -6.940 -15.347 966 1HG2 THR 126 HG21 THR 126 1.543 -4.021 -14.526 967 2HG2 THR 126 HG23 THR 126 0.161 -4.910 -15.168 968 3HG2 THR 126 HG22 THR 126 0.654 -5.137 -13.490 969 H LYS 127 HN LYS 127 3.020 -3.108 -15.576 970 HA LYS 127 HA LYS 127 5.713 -3.335 -14.299 971 1HB LYS 127 HB2 LYS 127 4.783 -1.279 -16.325 972 2HB LYS 127 HB1 LYS 127 6.261 -1.122 -15.374 973 1HG LYS 127 HG2 LYS 127 7.105 -3.235 -16.310 974 2HG LYS 127 HG1 LYS 127 5.621 -3.423 -17.245 975 1HD LYS 127 HD2 LYS 127 6.098 -1.332 -18.450 976 2HD LYS 127 HD1 LYS 127 7.569 -1.111 -17.502 977 1HE LYS 127 HE2 LYS 127 7.076 -3.594 -19.156 978 2HE LYS 127 HE1 LYS 127 7.870 -2.164 -19.817 979 1HZ LYS 127 HZ3 LYS 127 8.976 -2.855 -17.300 980 2HZ LYS 127 HZ2 LYS 127 9.037 -4.186 -18.353 981 3HZ LYS 127 HZ1 LYS 127 9.746 -2.710 -18.804 982 H MET 128 HN MET 128 6.193 -1.303 -12.975 983 HA MET 128 HA MET 128 3.802 -0.664 -11.368 984 1HB MET 128 HB2 MET 128 6.048 -1.275 -10.353 985 2HB MET 128 HB1 MET 128 6.648 0.278 -10.934 986 1HG MET 128 HG2 MET 128 5.939 0.600 -8.654 987 2HG MET 128 HG1 MET 128 4.740 1.377 -9.688 988 1HE MET 128 HE2 MET 128 3.455 1.593 -7.853 989 2HE MET 128 HE1 MET 128 2.050 0.936 -8.688 990 3HE MET 128 HE3 MET 128 2.440 0.398 -7.049 991 H ILE 129 HN ILE 129 3.119 1.513 -10.961 992 HA ILE 129 HA ILE 129 3.364 3.276 -13.267 993 HB ILE 129 HB ILE 129 1.920 4.801 -11.896 994 1HG1 ILE 129 HG12 ILE 129 1.989 2.553 -9.863 995 2HG1 ILE 129 HG11 ILE 129 2.932 4.036 -9.699 996 1HG2 ILE 129 HG23 ILE 129 1.058 2.857 -13.313 997 2HG2 ILE 129 HG22 ILE 129 0.910 1.951 -11.808 998 3HG2 ILE 129 HG21 ILE 129 -0.029 3.425 -12.046 999 1HD1 ILE 129 HD11 ILE 129 0.616 5.214 -10.116 1000 2HD1 ILE 129 HD13 ILE 129 -0.045 3.666 -9.588 1001 3HD1 ILE 129 HD12 ILE 129 1.002 4.590 -8.512 1002 HA PRO 130 HA PRO 130 6.615 5.932 -11.793 1003 1HB PRO 130 HB2 PRO 130 5.701 8.353 -12.862 1004 2HB PRO 130 HB1 PRO 130 6.653 7.134 -13.720 1005 1HG PRO 130 HG2 PRO 130 3.926 7.886 -14.167 1006 2HG PRO 130 HG1 PRO 130 4.893 6.690 -15.041 1007 1HD PRO 130 HD2 PRO 130 2.833 6.263 -13.010 1008 2HD PRO 130 HD1 PRO 130 3.569 5.096 -14.122 1009 H LEU 131 HN LEU 131 6.547 6.246 -9.580 1010 HA LEU 131 HA LEU 131 4.467 8.038 -8.443 1011 1HB LEU 131 HB2 LEU 131 6.533 6.267 -7.100 1012 2HB LEU 131 HB1 LEU 131 5.320 7.226 -6.251 1013 HG LEU 131 HG LEU 131 4.455 5.312 -8.399 1014 1HD1 LEU 131 HD12 LEU 131 5.070 4.608 -5.512 1015 2HD1 LEU 131 HD11 LEU 131 4.205 3.566 -6.643 1016 3HD1 LEU 131 HD13 LEU 131 5.896 3.976 -6.936 1017 1HD2 LEU 131 HD23 LEU 131 2.950 7.030 -7.233 1018 2HD2 LEU 131 HD22 LEU 131 2.386 5.359 -7.203 1019 3HD2 LEU 131 HD21 LEU 131 3.146 6.059 -5.774 1020 H ASN 132 HN ASN 132 5.014 9.961 -7.374 1021 HA ASN 132 HA ASN 132 7.621 11.115 -8.119 1022 1HB ASN 132 HB2 ASN 132 5.265 12.277 -8.163 1023 2HB ASN 132 HB1 ASN 132 5.567 12.535 -6.445 1024 1HD2 ASN 132 HD21 ASN 132 7.915 12.573 -9.172 1025 2HD2 ASN 132 HD22 ASN 132 8.426 14.169 -8.907 1026 H TRP 133 HN TRP 133 9.030 9.908 -6.731 1027 HA TRP 133 HA TRP 133 8.647 9.693 -3.888 1028 1HB TRP 133 HB2 TRP 133 11.189 9.556 -5.537 1029 2HB TRP 133 HB1 TRP 133 11.051 9.068 -3.848 1030 HD1 TRP 133 HD1 TRP 133 10.084 8.020 -7.371 1031 HE1 TRP 133 HE1 TRP 133 9.195 5.600 -7.314 1032 HE3 TRP 133 HE3 TRP 133 9.850 7.284 -2.323 1033 HZ2 TRP 133 HZ2 TRP 133 8.481 3.615 -5.382 1034 HZ3 TRP 133 HZ3 TRP 133 9.063 5.122 -1.403 1035 HH2 TRP 133 HH2 TRP 133 8.378 3.289 -2.925 1036 H ASP 134 HN ASP 134 9.585 12.316 -5.881 1037 HA ASP 134 HA ASP 134 11.357 13.725 -4.135 1038 1HB ASP 134 HB2 ASP 134 9.626 14.413 -6.455 1039 2HB ASP 134 HB1 ASP 134 10.104 15.750 -5.409 1040 H ASP 135 HN ASP 135 7.897 13.273 -4.102 1041 HA ASP 135 HA ASP 135 7.556 15.383 -2.038 1042 1HB ASP 135 HB2 ASP 135 5.642 13.711 -3.668 1043 2HB ASP 135 HB1 ASP 135 5.094 14.617 -2.257 1044 H PHE 136 HN PHE 136 9.051 12.876 -1.521 1045 HA PHE 136 HA PHE 136 7.493 12.007 0.851 1046 1HB PHE 136 HB2 PHE 136 8.571 10.193 -1.313 1047 2HB PHE 136 HB1 PHE 136 8.237 9.609 0.318 1048 HD1 PHE 136 HD2 PHE 136 5.932 9.636 1.221 1049 HD2 PHE 136 HD1 PHE 136 6.783 10.789 -2.828 1050 HE1 PHE 136 HE2 PHE 136 3.526 9.432 0.657 1051 HE2 PHE 136 HE1 PHE 136 4.377 10.585 -3.391 1052 HZ PHE 136 HZ PHE 136 2.748 9.906 -1.649 1053 H THR 137 HN THR 137 8.986 10.585 2.282 1054 HA THR 137 HA THR 137 11.859 11.252 1.947 1055 HB THR 137 HB THR 137 10.452 11.770 4.572 1056 HG1 THR 137 HG1 THR 137 10.534 13.971 3.942 1057 1HG2 THR 137 HG22 THR 137 13.152 12.420 3.385 1058 2HG2 THR 137 HG21 THR 137 12.531 13.251 4.812 1059 3HG2 THR 137 HG23 THR 137 12.798 11.508 4.853 1060 H LYS 138 HN LYS 138 13.162 9.606 2.678 1061 HA LYS 138 HA LYS 138 11.921 7.105 3.476 1062 1HB LYS 138 HB2 LYS 138 14.054 7.374 2.092 1063 2HB LYS 138 HB1 LYS 138 14.870 7.770 3.605 1064 1HG LYS 138 HG2 LYS 138 14.044 5.601 4.553 1065 2HG LYS 138 HG1 LYS 138 13.399 5.199 2.961 1066 1HD LYS 138 HD2 LYS 138 16.298 5.947 3.368 1067 2HD LYS 138 HD1 LYS 138 15.732 4.282 3.513 1068 1HE LYS 138 HE2 LYS 138 14.679 4.594 1.200 1069 2HE LYS 138 HE1 LYS 138 15.633 6.073 1.079 1070 1HZ LYS 138 HZ1 LYS 138 17.596 4.612 1.683 1071 2HZ LYS 138 HZ3 LYS 138 16.593 3.289 1.338 1072 3HZ LYS 138 HZ2 LYS 138 16.951 4.421 0.123 1073 H VAL 139 HN VAL 139 12.170 6.036 5.509 1074 HA VAL 139 HA VAL 139 13.259 7.653 7.753 1075 HB VAL 139 HB VAL 139 11.218 7.108 9.105 1076 1HG1 VAL 139 HG13 VAL 139 11.581 9.283 7.813 1077 2HG1 VAL 139 HG12 VAL 139 10.501 8.622 6.587 1078 3HG1 VAL 139 HG11 VAL 139 9.908 8.902 8.224 1079 1HG2 VAL 139 HG22 VAL 139 10.207 6.186 6.396 1080 2HG2 VAL 139 HG21 VAL 139 10.404 5.192 7.839 1081 3HG2 VAL 139 HG23 VAL 139 9.175 6.457 7.799 1082 H SER 140 HN SER 140 12.078 4.552 6.535 1083 HA SER 140 HA SER 140 13.996 3.189 8.351 1084 1HB SER 140 HB2 SER 140 11.757 3.120 9.446 1085 2HB SER 140 HB1 SER 140 11.105 2.333 8.012 1086 HG SER 140 HG SER 140 12.834 1.368 9.979 1087 H SER 141 HN SER 141 14.315 0.870 7.638 1088 HA SER 141 HA SER 141 13.432 0.097 4.975 1089 1HB SER 141 HB2 SER 141 15.229 1.811 4.508 1090 2HB SER 141 HB1 SER 141 16.371 0.750 5.326 1091 HG SER 141 HG SER 141 14.772 0.106 3.066 1092 H ARG 142 HN ARG 142 13.211 -2.065 5.200 1093 HA ARG 142 HA ARG 142 14.963 -3.497 7.132 1094 1HB ARG 142 HB2 ARG 142 12.404 -3.674 7.194 1095 2HB ARG 142 HB1 ARG 142 12.541 -4.617 5.709 1096 1HG ARG 142 HG2 ARG 142 14.183 -6.113 6.939 1097 2HG ARG 142 HG1 ARG 142 13.726 -5.268 8.418 1098 1HD ARG 142 HD2 ARG 142 11.518 -6.071 8.345 1099 2HD ARG 142 HD1 ARG 142 11.616 -6.455 6.626 1100 HE ARG 142 HE ARG 142 13.448 -8.003 8.317 1101 1HH1 ARG 142 HH21 ARG 142 10.309 -7.778 6.845 1102 2HH1 ARG 142 HH22 ARG 142 10.034 -9.488 6.891 1103 1HH2 ARG 142 HH11 ARG 142 13.079 -10.220 8.371 1104 2HH2 ARG 142 HH12 ARG 142 11.595 -10.862 7.751 1105 H THR 143 HN THR 143 16.811 -4.151 6.106 1106 HA THR 143 HA THR 143 16.672 -5.129 3.314 1107 HB THR 143 HB THR 143 19.145 -4.988 5.042 1108 HG1 THR 143 HG1 THR 143 17.655 -2.980 4.646 1109 1HG2 THR 143 HG21 THR 143 18.959 -6.107 2.684 1110 2HG2 THR 143 HG23 THR 143 18.929 -4.445 2.095 1111 3HG2 THR 143 HG22 THR 143 20.314 -5.028 3.017 1112 H VAL 144 HN VAL 144 17.035 -7.275 2.754 1113 HA VAL 144 HA VAL 144 17.857 -9.205 4.828 1114 HB VAL 144 HB VAL 144 15.409 -9.047 5.116 1115 1HG1 VAL 144 HG12 VAL 144 14.885 -8.292 2.812 1116 2HG1 VAL 144 HG11 VAL 144 15.279 -9.902 2.208 1117 3HG1 VAL 144 HG13 VAL 144 13.902 -9.679 3.288 1118 1HG2 VAL 144 HG22 VAL 144 16.542 -11.240 5.412 1119 2HG2 VAL 144 HG21 VAL 144 14.888 -11.430 4.830 1120 3HG2 VAL 144 HG23 VAL 144 16.242 -11.608 3.712 1121 H GLU 145 HN GLU 145 19.020 -10.860 3.915 1122 HA GLU 145 HA GLU 145 19.042 -11.008 0.927 1123 1HB GLU 145 HB2 GLU 145 21.353 -11.938 1.215 1124 2HB GLU 145 HB1 GLU 145 21.192 -10.284 1.805 1125 1HG GLU 145 HG2 GLU 145 20.737 -11.287 4.107 1126 2HG GLU 145 HG1 GLU 145 21.263 -12.831 3.436 1127 H ASP 146 HN ASP 146 18.280 -12.876 0.078 1128 HA ASP 146 HA ASP 146 17.554 -15.101 1.835 1129 1HB ASP 146 HB2 ASP 146 16.317 -14.217 -0.303 1130 2HB ASP 146 HB1 ASP 146 17.470 -15.232 -1.169 1131 H THR 147 HN THR 147 18.067 -17.329 0.256 1132 HA THR 147 HA THR 147 20.844 -17.848 0.873 1133 HB THR 147 HB THR 147 20.315 -19.982 -0.534 1134 HG1 THR 147 HG1 THR 147 18.518 -19.129 -1.597 1135 1HG2 THR 147 HG21 THR 147 20.295 -19.687 2.005 1136 2HG2 THR 147 HG23 THR 147 18.552 -19.467 1.865 1137 3HG2 THR 147 HG22 THR 147 19.291 -20.989 1.369 1138 H ASN 148 HN ASN 148 19.060 -17.152 -2.116 1139 HA ASN 148 HA ASN 148 21.647 -17.158 -3.598 1140 1HB ASN 148 HB2 ASN 148 19.687 -18.544 -4.444 1141 2HB ASN 148 HB1 ASN 148 18.862 -17.022 -4.776 1142 1HD2 ASN 148 HD22 ASN 148 21.491 -18.378 -7.455 1143 2HD2 ASN 148 HD21 ASN 148 20.826 -19.330 -6.217 1144 HA PRO 149 HA PRO 149 21.889 -12.708 -3.567 1145 1HB PRO 149 HB2 PRO 149 22.711 -12.661 -6.353 1146 2HB PRO 149 HB1 PRO 149 23.670 -12.325 -4.906 1147 1HG PRO 149 HG2 PRO 149 23.691 -14.671 -6.555 1148 2HG PRO 149 HG1 PRO 149 24.703 -14.298 -5.153 1149 1HD PRO 149 HD2 PRO 149 22.696 -16.255 -5.274 1150 2HD PRO 149 HD1 PRO 149 23.488 -15.653 -3.810 1151 H ALA 150 HN ALA 150 20.500 -14.255 -6.472 1152 HA ALA 150 HA ALA 150 19.023 -11.992 -7.392 1153 1HB ALA 150 HB3 ALA 150 18.601 -14.970 -7.725 1154 2HB ALA 150 HB2 ALA 150 17.567 -13.774 -8.505 1155 3HB ALA 150 HB1 ALA 150 19.288 -13.838 -8.889 1156 H LEU 151 HN LEU 151 18.319 -14.431 -4.948 1157 HA LEU 151 HA LEU 151 15.534 -13.584 -4.631 1158 1HB LEU 151 HB2 LEU 151 17.356 -15.487 -3.165 1159 2HB LEU 151 HB1 LEU 151 15.782 -15.048 -2.500 1160 HG LEU 151 HG LEU 151 16.157 -16.101 -5.314 1161 1HD1 LEU 151 HD12 LEU 151 15.441 -17.567 -2.757 1162 2HD1 LEU 151 HD11 LEU 151 15.255 -18.244 -4.375 1163 3HD1 LEU 151 HD13 LEU 151 16.861 -17.842 -3.766 1164 1HD2 LEU 151 HD23 LEU 151 13.784 -15.604 -3.500 1165 2HD2 LEU 151 HD22 LEU 151 14.098 -14.901 -5.086 1166 3HD2 LEU 151 HD21 LEU 151 13.677 -16.608 -4.946 1167 H THR 152 HN THR 152 17.929 -11.697 -4.214 1168 HA THR 152 HA THR 152 17.607 -10.983 -1.360 1169 HB THR 152 HB THR 152 19.267 -9.623 -3.505 1170 HG1 THR 152 HG1 THR 152 19.562 -11.992 -2.390 1171 1HG2 THR 152 HG23 THR 152 18.597 -8.487 -1.234 1172 2HG2 THR 152 HG22 THR 152 19.795 -9.585 -0.549 1173 3HG2 THR 152 HG21 THR 152 20.273 -8.416 -1.780 1174 H HIS 153 HN HIS 153 16.571 -9.099 -0.671 1175 HA HIS 153 HA HIS 153 15.564 -7.154 -2.629 1176 1HB HIS 153 HB2 HIS 153 13.189 -7.450 -1.874 1177 2HB HIS 153 HB1 HIS 153 13.811 -8.831 -2.778 1178 HD1 HIS 153 HD1 HIS 153 14.752 -10.865 -1.218 1179 HD2 HIS 153 HD2 HIS 153 12.247 -8.107 0.651 1180 HE1 HIS 153 HE1 HIS 153 13.945 -11.962 0.917 1181 H THR 154 HN THR 154 14.295 -5.394 -1.427 1182 HA THR 154 HA THR 154 15.035 -5.201 1.446 1183 HB THR 154 HB THR 154 15.589 -2.968 -0.526 1184 HG1 THR 154 HG1 THR 154 17.389 -4.791 0.690 1185 1HG2 THR 154 HG22 THR 154 15.957 -3.399 2.417 1186 2HG2 THR 154 HG21 THR 154 17.097 -2.369 1.553 1187 3HG2 THR 154 HG23 THR 154 15.380 -1.969 1.563 1188 H TYR 155 HN TYR 155 13.378 -4.343 2.614 1189 HA TYR 155 HA TYR 155 11.003 -3.362 1.148 1190 1HB TYR 155 HB2 TYR 155 11.440 -3.953 4.093 1191 2HB TYR 155 HB1 TYR 155 9.899 -3.492 3.370 1192 HD1 TYR 155 HD1 TYR 155 8.807 -4.985 1.686 1193 HD2 TYR 155 HD2 TYR 155 12.307 -6.179 3.872 1194 HE1 TYR 155 HE1 TYR 155 8.386 -7.349 1.068 1195 HE2 TYR 155 HE2 TYR 155 11.886 -8.544 3.254 1196 HH TYR 155 HH TYR 155 10.203 -9.970 2.488 1197 H GLU 156 HN GLU 156 11.556 -1.253 0.520 1198 HA GLU 156 HA GLU 156 12.729 0.642 2.407 1199 1HB GLU 156 HB2 GLU 156 11.556 0.922 -0.370 1200 2HB GLU 156 HB1 GLU 156 12.169 2.299 0.547 1201 1HG GLU 156 HG2 GLU 156 14.310 0.828 0.843 1202 2HG GLU 156 HG1 GLU 156 13.678 -0.066 -0.540 1203 H VAL 157 HN VAL 157 11.625 1.959 3.783 1204 HA VAL 157 HA VAL 157 8.648 2.073 3.494 1205 HB VAL 157 HB VAL 157 10.277 2.397 6.031 1206 1HG1 VAL 157 HG11 VAL 157 7.316 2.191 5.430 1207 2HG1 VAL 157 HG13 VAL 157 7.983 1.975 7.048 1208 3HG1 VAL 157 HG12 VAL 157 8.164 3.521 6.219 1209 1HG2 VAL 157 HG21 VAL 157 9.115 0.016 4.653 1210 2HG2 VAL 157 HG23 VAL 157 10.548 0.132 5.675 1211 3HG2 VAL 157 HG22 VAL 157 8.943 0.098 6.406 1212 H TRP 158 HN TRP 158 8.136 4.027 2.626 1213 HA TRP 158 HA TRP 158 9.696 6.420 3.506 1214 1HB TRP 158 HB2 TRP 158 7.985 5.947 1.046 1215 2HB TRP 158 HB1 TRP 158 8.714 7.499 1.460 1216 HD1 TRP 158 HD1 TRP 158 9.915 3.834 1.054 1217 HE1 TRP 158 HE1 TRP 158 12.225 3.876 -0.090 1218 HE3 TRP 158 HE3 TRP 158 10.592 8.878 0.619 1219 HZ2 TRP 158 HZ2 TRP 158 14.111 5.796 -1.062 1220 HZ3 TRP 158 HZ3 TRP 158 12.651 9.785 -0.419 1221 HH2 TRP 158 HH2 TRP 158 14.410 8.252 -1.260 1222 H GLN 159 HN GLN 159 8.342 8.452 3.697 1223 HA GLN 159 HA GLN 159 5.513 7.944 4.448 1224 1HB GLN 159 HB2 GLN 159 7.688 8.960 6.272 1225 2HB GLN 159 HB1 GLN 159 6.007 9.428 6.530 1226 1HG GLN 159 HG2 GLN 159 5.433 6.947 6.456 1227 2HG GLN 159 HG1 GLN 159 7.167 6.635 6.538 1228 1HE2 GLN 159 HE22 GLN 159 7.289 8.335 9.861 1229 2HE2 GLN 159 HE21 GLN 159 8.030 8.583 8.354 1230 H LYS 160 HN LYS 160 4.199 9.691 3.987 1231 HA LYS 160 HA LYS 160 5.346 11.861 2.409 1232 1HB LYS 160 HB2 LYS 160 3.014 10.701 2.161 1233 2HB LYS 160 HB1 LYS 160 2.511 11.827 3.422 1234 1HG LYS 160 HG2 LYS 160 3.984 12.790 0.972 1235 2HG LYS 160 HG1 LYS 160 2.232 12.585 0.962 1236 1HD LYS 160 HD2 LYS 160 2.243 14.003 3.122 1237 2HD LYS 160 HD1 LYS 160 3.889 14.445 2.665 1238 1HE LYS 160 HE2 LYS 160 2.548 16.140 1.700 1239 2HE LYS 160 HE1 LYS 160 2.888 15.044 0.361 1240 1HZ LYS 160 HZ1 LYS 160 0.556 14.335 1.893 1241 2HZ LYS 160 HZ3 LYS 160 0.427 15.841 1.124 1242 3HZ LYS 160 HZ2 LYS 160 0.758 14.448 0.210 1243 H LYS 161 HN LYS 161 6.624 13.142 3.772 1244 HA LYS 161 HA LYS 161 5.428 14.203 6.267 1245 1HB LYS 161 HB2 LYS 161 8.187 14.522 5.045 1246 2HB LYS 161 HB1 LYS 161 7.689 15.225 6.585 1247 1HG LYS 161 HG2 LYS 161 7.355 12.275 6.082 1248 2HG LYS 161 HG1 LYS 161 8.909 12.921 6.610 1249 1HD LYS 161 HD2 LYS 161 6.362 13.623 8.064 1250 2HD LYS 161 HD1 LYS 161 7.246 12.144 8.439 1251 1HE LYS 161 HE2 LYS 161 8.468 14.918 8.460 1252 2HE LYS 161 HE1 LYS 161 7.909 14.064 9.898 1253 1HZ LYS 161 HZ1 LYS 161 9.691 12.564 8.176 1254 2HZ LYS 161 HZ3 LYS 161 10.394 13.904 8.940 1255 3HZ LYS 161 HZ2 LYS 161 9.661 12.687 9.870 1256 H ALA 162 HN ALA 162 4.307 16.076 6.189 1257 HA ALA 162 HA ALA 162 4.439 17.796 3.814 1258 1HB ALA 162 HB3 ALA 162 2.335 17.223 5.215 1259 2HB ALA 162 HB2 ALA 162 2.938 18.428 6.353 1260 3HB ALA 162 HB1 ALA 162 2.546 18.896 4.700 1261 1H9 TMQ 170 H91 TMQ 170 -0.130 -10.623 -5.860 1262 2H9 TMQ 170 H92 TMQ 170 -0.828 -11.416 -4.441 1263 HN1 TMQ 170 H1N TMQ 170 1.220 -12.529 -6.216 1264 1H17 TMQ 170 HM1 TMQ 170 -1.004 -8.014 -3.522 1265 2H17 TMQ 170 HM2 TMQ 170 -0.952 -9.067 -4.934 1266 3H17 TMQ 170 HM3 TMQ 170 -0.069 -7.541 -4.947 1267 1H21 TMQ 170 HW11 TMQ 170 -2.125 -13.847 -0.118 1268 2H21 TMQ 170 HW12 TMQ 170 -2.402 -13.401 -1.809 1269 3H21 TMQ 170 HW13 TMQ 170 -0.874 -12.979 -1.020 1270 1H22 TMQ 170 HI1 TMQ 170 0.524 -16.981 -1.418 1271 2H22 TMQ 170 HI2 TMQ 170 1.173 -17.913 -2.776 1272 3H22 TMQ 170 HI3 TMQ 170 0.046 -18.672 -1.641 1273 1H23 TMQ 170 HW21 TMQ 170 0.717 -16.724 -7.447 1274 2H23 TMQ 170 HW22 TMQ 170 1.275 -18.355 -7.040 1275 3H23 TMQ 170 HW23 TMQ 170 2.051 -16.943 -6.302 1276 1HN2 TMQ 170 HN21 TMQ 170 4.668 -5.771 -0.113 1277 2HN2 TMQ 170 HN22 TMQ 170 5.497 -7.291 -0.077 1278 1HN5 TMQ 170 HN41 TMQ 170 0.062 -6.349 -3.358 1279 2HN5 TMQ 170 HN42 TMQ 170 0.853 -5.153 -2.430 1280 HN TMQ 170 H1 TMQ 170 4.655 -9.073 -1.236 1281 H7 TMQ 170 H7 TMQ 170 2.330 -12.194 -3.828 1282 H8 TMQ 170 H8 TMQ 170 3.962 -11.082 -2.373 1283 H12 TMQ 170 HP2 TMQ 170 -0.332 -12.755 -2.951 1284 H16 TMQ 170 HP6 TMQ 170 0.777 -14.895 -6.537 No H/Q in entry = 1284 Start of MODEL 19 1 1H THR 1 HT1 THR 1 -2.673 6.791 4.541 2 2H THR 1 HT3 THR 1 -3.887 7.432 3.544 3 3H THR 1 HT2 THR 1 -4.309 6.519 4.913 4 HA THR 1 HA THR 1 -4.264 4.651 3.756 5 HB THR 1 HB THR 1 -3.266 6.207 1.366 6 HG1 THR 1 HG1 THR 1 -5.187 7.016 2.787 7 1HG2 THR 1 HG21 THR 1 -4.975 3.764 1.825 8 2HG2 THR 1 HG23 THR 1 -5.006 4.637 0.292 9 3HG2 THR 1 HG22 THR 1 -3.504 3.907 0.862 10 H ALA 2 HN ALA 2 -2.817 3.063 2.604 11 HA ALA 2 HA ALA 2 0.074 3.743 2.760 12 1HB ALA 2 HB3 ALA 2 -1.251 1.397 4.153 13 2HB ALA 2 HB2 ALA 2 0.492 1.580 3.957 14 3HB ALA 2 HB1 ALA 2 -0.413 2.744 4.925 15 H PHE 3 HN PHE 3 1.155 2.913 1.029 16 HA PHE 3 HA PHE 3 -0.325 1.076 -0.777 17 1HB PHE 3 HB2 PHE 3 2.041 2.913 -1.110 18 2HB PHE 3 HB1 PHE 3 1.732 1.632 -2.281 19 HD1 PHE 3 HD1 PHE 3 -0.371 4.100 -0.374 20 HD2 PHE 3 HD2 PHE 3 0.602 2.347 -4.173 21 HE1 PHE 3 HE1 PHE 3 -2.101 5.502 -1.465 22 HE2 PHE 3 HE2 PHE 3 -1.128 3.749 -5.264 23 HZ PHE 3 HZ PHE 3 -2.479 5.327 -3.910 24 H LEU 4 HN LEU 4 0.922 -0.735 -1.765 25 HA LEU 4 HA LEU 4 3.375 -1.671 -0.549 26 1HB LEU 4 HB2 LEU 4 1.739 -2.119 1.298 27 2HB LEU 4 HB1 LEU 4 0.841 -3.163 0.196 28 HG LEU 4 HG LEU 4 3.199 -4.302 -0.154 29 1HD1 LEU 4 HD13 LEU 4 3.485 -2.671 2.344 30 2HD1 LEU 4 HD12 LEU 4 4.240 -4.264 2.283 31 3HD1 LEU 4 HD11 LEU 4 4.683 -3.032 1.102 32 1HD2 LEU 4 HD23 LEU 4 1.394 -4.634 2.257 33 2HD2 LEU 4 HD22 LEU 4 1.326 -5.523 0.736 34 3HD2 LEU 4 HD21 LEU 4 2.671 -5.779 1.847 35 H TRP 5 HN TRP 5 4.200 -2.359 -2.487 36 HA TRP 5 HA TRP 5 2.729 -4.519 -3.892 37 1HB TRP 5 HB2 TRP 5 3.104 -3.472 -6.085 38 2HB TRP 5 HB1 TRP 5 2.134 -2.419 -5.059 39 HD1 TRP 5 HD1 TRP 5 5.156 -2.432 -7.150 40 HE1 TRP 5 HE1 TRP 5 6.536 -0.286 -6.792 41 HE3 TRP 5 HE3 TRP 5 2.898 -0.616 -2.939 42 HZ2 TRP 5 HZ2 TRP 5 6.669 1.907 -4.965 43 HZ3 TRP 5 HZ3 TRP 5 3.677 1.501 -1.913 44 HH2 TRP 5 HH2 TRP 5 5.556 2.764 -2.921 45 H ALA 6 HN ALA 6 4.096 -6.035 -4.855 46 HA ALA 6 HA ALA 6 6.957 -5.809 -4.118 47 1HB ALA 6 HB2 ALA 6 5.723 -7.894 -3.571 48 2HB ALA 6 HB1 ALA 6 5.410 -8.143 -5.289 49 3HB ALA 6 HB3 ALA 6 7.063 -8.201 -4.676 50 H GLN 7 HN GLN 7 8.224 -4.836 -5.626 51 HA GLN 7 HA GLN 7 7.852 -5.628 -8.480 52 1HB GLN 7 HB2 GLN 7 8.422 -3.264 -9.113 53 2HB GLN 7 HB1 GLN 7 6.876 -3.413 -8.276 54 1HG GLN 7 HG2 GLN 7 7.749 -2.554 -6.258 55 2HG GLN 7 HG1 GLN 7 9.417 -2.844 -6.754 56 1HE2 GLN 7 HE22 GLN 7 9.711 0.423 -8.004 57 2HE2 GLN 7 HE21 GLN 7 10.444 -0.910 -7.252 58 H ASP 8 HN ASP 8 9.804 -5.672 -9.701 59 HA ASP 8 HA ASP 8 12.252 -5.832 -8.019 60 1HB ASP 8 HB2 ASP 8 13.216 -6.972 -10.061 61 2HB ASP 8 HB1 ASP 8 11.853 -7.819 -9.331 62 H ARG 9 HN ARG 9 14.313 -5.086 -9.215 63 HA ARG 9 HA ARG 9 14.139 -2.291 -9.747 64 1HB ARG 9 HB2 ARG 9 16.494 -2.542 -10.573 65 2HB ARG 9 HB1 ARG 9 16.226 -3.284 -8.995 66 1HG ARG 9 HG2 ARG 9 16.005 -5.485 -10.017 67 2HG ARG 9 HG1 ARG 9 16.131 -4.781 -11.630 68 1HD ARG 9 HD2 ARG 9 18.393 -3.790 -10.554 69 2HD ARG 9 HD1 ARG 9 18.255 -5.269 -9.604 70 HE ARG 9 HE ARG 9 18.521 -6.554 -11.621 71 1HH1 ARG 9 HH21 ARG 9 18.493 -3.121 -12.152 72 2HH1 ARG 9 HH22 ARG 9 19.132 -3.244 -13.757 73 1HH2 ARG 9 HH11 ARG 9 19.348 -6.701 -13.706 74 2HH2 ARG 9 HH12 ARG 9 19.613 -5.262 -14.632 75 H ASP 10 HN ASP 10 13.531 -4.999 -11.779 76 HA ASP 10 HA ASP 10 14.126 -3.677 -14.308 77 1HB ASP 10 HB2 ASP 10 12.710 -6.214 -13.512 78 2HB ASP 10 HB1 ASP 10 12.629 -5.628 -15.174 79 H GLY 11 HN GLY 11 12.051 -2.654 -12.158 80 1HA GLY 11 HA2 GLY 11 10.077 -1.391 -12.251 81 2HA GLY 11 HA1 GLY 11 10.339 -1.290 -13.992 82 H LEU 12 HN LEU 12 9.926 -4.279 -12.145 83 HA LEU 12 HA LEU 12 7.434 -4.788 -13.722 84 1HB LEU 12 HB2 LEU 12 9.626 -6.297 -13.834 85 2HB LEU 12 HB1 LEU 12 8.934 -6.997 -12.371 86 HG LEU 12 HG LEU 12 6.738 -7.177 -13.706 87 1HD1 LEU 12 HD12 LEU 12 7.787 -5.644 -15.534 88 2HD1 LEU 12 HD11 LEU 12 8.573 -7.120 -16.095 89 3HD1 LEU 12 HD13 LEU 12 6.813 -7.020 -16.051 90 1HD2 LEU 12 HD22 LEU 12 8.484 -9.020 -13.150 91 2HD2 LEU 12 HD21 LEU 12 7.321 -9.347 -14.434 92 3HD2 LEU 12 HD23 LEU 12 8.968 -8.865 -14.839 93 H ILE 13 HN ILE 13 5.777 -6.110 -12.563 94 HA ILE 13 HA ILE 13 5.899 -5.839 -9.597 95 HB ILE 13 HB ILE 13 3.511 -5.072 -9.630 96 1HG1 ILE 13 HG12 ILE 13 4.030 -4.649 -12.589 97 2HG1 ILE 13 HG11 ILE 13 3.052 -5.965 -11.940 98 1HG2 ILE 13 HG23 ILE 13 5.657 -3.423 -10.976 99 2HG2 ILE 13 HG22 ILE 13 4.080 -2.749 -10.565 100 3HG2 ILE 13 HG21 ILE 13 5.135 -3.365 -9.293 101 1HD1 ILE 13 HD12 ILE 13 2.483 -3.083 -11.244 102 2HD1 ILE 13 HD11 ILE 13 1.801 -3.839 -12.684 103 3HD1 ILE 13 HD13 ILE 13 1.415 -4.477 -11.086 104 H GLY 14 HN GLY 14 4.573 -7.401 -12.452 105 1HA GLY 14 HA2 GLY 14 4.274 -9.916 -11.036 106 2HA GLY 14 HA1 GLY 14 2.712 -9.181 -11.400 107 H LYS 15 HN LYS 15 2.703 -11.346 -12.692 108 HA LYS 15 HA LYS 15 2.993 -10.690 -15.494 109 1HB LYS 15 HB2 LYS 15 5.368 -11.241 -14.864 110 2HB LYS 15 HB1 LYS 15 4.823 -12.863 -14.438 111 1HG LYS 15 HG2 LYS 15 3.818 -12.940 -16.819 112 2HG LYS 15 HG1 LYS 15 4.851 -11.550 -17.153 113 1HD LYS 15 HD2 LYS 15 6.823 -12.861 -16.396 114 2HD LYS 15 HD1 LYS 15 5.775 -14.259 -16.150 115 1HE LYS 15 HE2 LYS 15 5.305 -14.454 -18.467 116 2HE LYS 15 HE1 LYS 15 5.917 -12.835 -18.809 117 1HZ LYS 15 HZ1 LYS 15 7.861 -14.527 -17.555 118 2HZ LYS 15 HZ3 LYS 15 7.325 -15.146 -19.040 119 3HZ LYS 15 HZ2 LYS 15 7.991 -13.585 -18.963 120 H ASP 16 HN ASP 16 1.328 -11.744 -16.447 121 HA ASP 16 HA ASP 16 -0.353 -13.329 -16.843 122 1HB ASP 16 HB2 ASP 16 1.968 -14.907 -15.863 123 2HB ASP 16 HB1 ASP 16 0.402 -15.717 -15.818 124 H GLY 17 HN GLY 17 -0.257 -11.772 -14.291 125 1HA GLY 17 HA2 GLY 17 -2.011 -11.680 -12.639 126 2HA GLY 17 HA1 GLY 17 -2.238 -13.420 -12.821 127 H HIS 18 HN HIS 18 -0.085 -14.678 -12.231 128 HA HIS 18 HA HIS 18 0.474 -14.052 -9.445 129 1HB HIS 18 HB2 HIS 18 1.988 -16.049 -9.593 130 2HB HIS 18 HB1 HIS 18 0.340 -16.382 -10.124 131 HD1 HIS 18 HD1 HIS 18 3.833 -15.881 -11.446 132 HD2 HIS 18 HD2 HIS 18 0.074 -16.970 -12.882 133 HE1 HIS 18 HE1 HIS 18 4.185 -16.726 -13.807 134 H LEU 19 HN LEU 19 3.107 -14.537 -9.024 135 HA LEU 19 HA LEU 19 4.376 -12.147 -10.225 136 1HB LEU 19 HB2 LEU 19 5.014 -13.919 -7.868 137 2HB LEU 19 HB1 LEU 19 6.207 -12.785 -8.501 138 HG LEU 19 HG LEU 19 3.399 -11.920 -7.798 139 1HD1 LEU 19 HD13 LEU 19 5.869 -11.957 -6.036 140 2HD1 LEU 19 HD12 LEU 19 4.372 -11.108 -5.648 141 3HD1 LEU 19 HD11 LEU 19 4.383 -12.868 -5.770 142 1HD2 LEU 19 HD22 LEU 19 5.983 -10.631 -8.568 143 2HD2 LEU 19 HD21 LEU 19 4.333 -10.188 -9.009 144 3HD2 LEU 19 HD23 LEU 19 4.960 -9.777 -7.412 145 HA PRO 20 HA PRO 20 7.050 -14.533 -12.870 146 1HB PRO 20 HB2 PRO 20 9.180 -12.725 -12.979 147 2HB PRO 20 HB1 PRO 20 7.732 -12.680 -13.994 148 1HG PRO 20 HG2 PRO 20 8.519 -10.841 -11.938 149 2HG PRO 20 HG1 PRO 20 7.103 -10.770 -12.996 150 1HD PRO 20 HD2 PRO 20 7.259 -11.577 -10.196 151 2HD PRO 20 HD1 PRO 20 5.831 -11.213 -11.179 152 H TRP 21 HN TRP 21 8.308 -13.303 -9.827 153 HA TRP 21 HA TRP 21 10.491 -15.339 -9.910 154 1HB TRP 21 HB2 TRP 21 11.439 -14.041 -7.984 155 2HB TRP 21 HB1 TRP 21 11.303 -13.091 -9.463 156 HD1 TRP 21 HD1 TRP 21 9.607 -13.592 -6.061 157 HE1 TRP 21 HE1 TRP 21 8.206 -11.495 -5.524 158 HE3 TRP 21 HE3 TRP 21 10.105 -11.049 -10.461 159 HZ2 TRP 21 HZ2 TRP 21 7.404 -9.061 -6.794 160 HZ3 TRP 21 HZ3 TRP 21 9.014 -8.845 -10.770 161 HH2 TRP 21 HH2 TRP 21 7.665 -7.849 -8.944 162 H HIS 22 HN HIS 22 10.948 -15.827 -7.294 163 HA HIS 22 HA HIS 22 8.343 -16.610 -6.078 164 1HB HIS 22 HB2 HIS 22 9.385 -18.512 -7.440 165 2HB HIS 22 HB1 HIS 22 10.683 -18.521 -6.246 166 HD1 HIS 22 HD1 HIS 22 6.858 -18.487 -6.109 167 HD2 HIS 22 HD2 HIS 22 10.107 -20.296 -4.225 168 HE1 HIS 22 HE1 HIS 22 5.895 -20.051 -4.364 169 H LEU 23 HN LEU 23 8.636 -15.107 -4.400 170 HA LEU 23 HA LEU 23 11.035 -15.549 -2.666 171 1HB LEU 23 HB2 LEU 23 10.748 -13.255 -3.747 172 2HB LEU 23 HB1 LEU 23 9.318 -13.057 -2.733 173 HG LEU 23 HG LEU 23 10.741 -13.505 -0.723 174 1HD1 LEU 23 HD12 LEU 23 12.868 -13.597 -2.862 175 2HD1 LEU 23 HD11 LEU 23 13.263 -13.179 -1.195 176 3HD1 LEU 23 HD13 LEU 23 12.564 -14.755 -1.568 177 1HD2 LEU 23 HD22 LEU 23 10.370 -11.174 -2.048 178 2HD2 LEU 23 HD21 LEU 23 11.300 -11.284 -0.553 179 3HD2 LEU 23 HD23 LEU 23 12.130 -11.267 -2.108 180 HA PRO 24 HA PRO 24 7.417 -17.482 -0.429 181 1HB PRO 24 HB2 PRO 24 9.529 -18.456 1.332 182 2HB PRO 24 HB1 PRO 24 8.382 -19.376 0.349 183 1HG PRO 24 HG2 PRO 24 11.150 -18.888 -0.161 184 2HG PRO 24 HG1 PRO 24 10.003 -19.816 -1.136 185 1HD PRO 24 HD2 PRO 24 11.168 -17.353 -1.829 186 2HD PRO 24 HD1 PRO 24 9.810 -18.142 -2.646 187 H ASP 25 HN ASP 25 10.253 -15.754 0.840 188 HA ASP 25 HA ASP 25 9.190 -15.159 3.427 189 1HB ASP 25 HB2 ASP 25 11.601 -14.800 2.352 190 2HB ASP 25 HB1 ASP 25 10.962 -13.185 2.044 191 H ASP 26 HN ASP 26 8.995 -13.433 0.325 192 HA ASP 26 HA ASP 26 7.585 -11.145 1.376 193 1HB ASP 26 HB2 ASP 26 8.804 -11.167 -0.810 194 2HB ASP 26 HB1 ASP 26 7.560 -12.237 -1.454 195 H LEU 27 HN LEU 27 6.610 -14.326 0.281 196 HA LEU 27 HA LEU 27 3.786 -13.683 0.019 197 1HB LEU 27 HB2 LEU 27 5.149 -16.367 0.395 198 2HB LEU 27 HB1 LEU 27 3.483 -16.121 -0.130 199 HG LEU 27 HG LEU 27 5.912 -15.058 -1.601 200 1HD1 LEU 27 HD13 LEU 27 4.289 -17.579 -1.892 201 2HD1 LEU 27 HD12 LEU 27 5.077 -16.856 -3.295 202 3HD1 LEU 27 HD11 LEU 27 6.042 -17.384 -1.916 203 1HD2 LEU 27 HD22 LEU 27 2.960 -14.843 -1.923 204 2HD2 LEU 27 HD21 LEU 27 4.226 -13.705 -2.381 205 3HD2 LEU 27 HD23 LEU 27 3.892 -15.107 -3.397 206 H HIS 28 HN HIS 28 5.906 -14.534 2.639 207 HA HIS 28 HA HIS 28 3.697 -15.299 4.433 208 1HB HIS 28 HB2 HIS 28 6.689 -15.057 4.737 209 2HB HIS 28 HB1 HIS 28 5.645 -15.264 6.144 210 HD1 HIS 28 HD1 HIS 28 3.586 -17.242 5.088 211 HD2 HIS 28 HD2 HIS 28 7.669 -17.623 4.339 212 HE1 HIS 28 HE1 HIS 28 3.990 -19.683 4.547 213 H TYR 29 HN TYR 29 5.665 -12.494 3.695 214 HA TYR 29 HA TYR 29 5.000 -10.987 6.074 215 1HB TYR 29 HB2 TYR 29 6.932 -10.550 4.443 216 2HB TYR 29 HB1 TYR 29 5.729 -9.815 3.383 217 HD1 TYR 29 HD1 TYR 29 6.494 -9.768 7.064 218 HD2 TYR 29 HD2 TYR 29 5.621 -7.499 3.523 219 HE1 TYR 29 HE1 TYR 29 6.615 -7.669 8.379 220 HE2 TYR 29 HE2 TYR 29 5.742 -5.399 4.838 221 HH TYR 29 HH TYR 29 6.344 -4.500 6.810 222 H PHE 30 HN PHE 30 3.425 -11.560 3.006 223 HA PHE 30 HA PHE 30 1.622 -9.333 3.026 224 1HB PHE 30 HB2 PHE 30 2.063 -10.905 1.083 225 2HB PHE 30 HB1 PHE 30 1.049 -12.089 1.907 226 HD1 PHE 30 HD1 PHE 30 1.000 -8.486 0.855 227 HD2 PHE 30 HD2 PHE 30 -1.244 -12.096 1.474 228 HE1 PHE 30 HE1 PHE 30 -1.028 -7.381 -0.049 229 HE2 PHE 30 HE2 PHE 30 -3.271 -10.992 0.569 230 HZ PHE 30 HZ PHE 30 -3.163 -8.634 -0.192 231 H ARG 31 HN ARG 31 1.255 -12.678 4.228 232 HA ARG 31 HA ARG 31 -1.393 -12.291 5.278 233 1HB ARG 31 HB2 ARG 31 -0.039 -14.493 4.836 234 2HB ARG 31 HB1 ARG 31 0.549 -14.245 6.481 235 1HG ARG 31 HG2 ARG 31 -1.860 -14.038 7.216 236 2HG ARG 31 HG1 ARG 31 -2.332 -14.540 5.593 237 1HD ARG 31 HD2 ARG 31 -0.496 -16.153 7.385 238 2HD ARG 31 HD1 ARG 31 -2.233 -16.432 7.253 239 HE ARG 31 HE ARG 31 -0.978 -16.437 4.647 240 1HH1 ARG 31 HH11 ARG 31 -1.493 -18.316 7.524 241 2HH1 ARG 31 HH12 ARG 31 -1.341 -19.834 6.703 242 1HH2 ARG 31 HH21 ARG 31 -0.782 -18.412 3.593 243 2HH2 ARG 31 HH22 ARG 31 -0.941 -19.887 4.488 244 H ALA 32 HN ALA 32 1.511 -10.934 6.257 245 HA ALA 32 HA ALA 32 0.825 -10.892 9.141 246 1HB ALA 32 HB3 ALA 32 3.211 -11.196 8.242 247 2HB ALA 32 HB2 ALA 32 3.147 -9.487 7.807 248 3HB ALA 32 HB1 ALA 32 2.995 -9.974 9.496 249 H GLN 33 HN GLN 33 0.967 -8.764 6.325 250 HA GLN 33 HA GLN 33 -0.078 -6.526 8.003 251 1HB GLN 33 HB2 GLN 33 1.386 -6.636 5.372 252 2HB GLN 33 HB1 GLN 33 0.437 -5.215 5.808 253 1HG GLN 33 HG2 GLN 33 2.674 -4.796 6.568 254 2HG GLN 33 HG1 GLN 33 1.720 -5.173 8.003 255 1HE2 GLN 33 HE22 GLN 33 3.922 -7.768 8.867 256 2HE2 GLN 33 HE21 GLN 33 2.920 -6.494 9.371 257 H THR 34 HN THR 34 -1.752 -8.753 7.185 258 HA THR 34 HA THR 34 -3.705 -7.246 5.502 259 HB THR 34 HB THR 34 -4.363 -9.505 4.530 260 HG1 THR 34 HG1 THR 34 -1.897 -10.542 4.915 261 1HG2 THR 34 HG23 THR 34 -1.643 -8.293 4.007 262 2HG2 THR 34 HG22 THR 34 -2.333 -9.558 2.990 263 3HG2 THR 34 HG21 THR 34 -3.145 -7.999 3.130 264 H VAL 35 HN VAL 35 -3.095 -9.645 8.010 265 HA VAL 35 HA VAL 35 -5.874 -10.186 8.598 266 HB VAL 35 HB VAL 35 -4.957 -11.113 10.741 267 1HG1 VAL 35 HG11 VAL 35 -5.025 -12.412 8.584 268 2HG1 VAL 35 HG13 VAL 35 -3.353 -11.928 8.301 269 3HG1 VAL 35 HG12 VAL 35 -3.755 -12.936 9.691 270 1HG2 VAL 35 HG23 VAL 35 -2.386 -9.985 9.594 271 2HG2 VAL 35 HG22 VAL 35 -3.131 -9.578 11.140 272 3HG2 VAL 35 HG21 VAL 35 -2.433 -11.179 10.891 273 H GLY 36 HN GLY 36 -7.279 -8.960 9.760 274 1HA GLY 36 HA2 GLY 36 -8.074 -7.327 11.259 275 2HA GLY 36 HA1 GLY 36 -6.439 -7.201 11.908 276 H LYS 37 HN LYS 37 -7.373 -6.746 8.523 277 HA LYS 37 HA LYS 37 -7.160 -3.821 8.734 278 1HB LYS 37 HB2 LYS 37 -5.072 -5.523 7.362 279 2HB LYS 37 HB1 LYS 37 -5.340 -3.837 6.916 280 1HG LYS 37 HG2 LYS 37 -5.077 -3.300 9.412 281 2HG LYS 37 HG1 LYS 37 -4.442 -4.937 9.584 282 1HD LYS 37 HD2 LYS 37 -2.848 -4.314 7.646 283 2HD LYS 37 HD1 LYS 37 -3.302 -2.644 7.990 284 1HE LYS 37 HE2 LYS 37 -2.187 -4.580 10.040 285 2HE LYS 37 HE1 LYS 37 -1.241 -3.344 9.211 286 1HZ LYS 37 HZ3 LYS 37 -2.910 -1.708 10.088 287 2HZ LYS 37 HZ2 LYS 37 -3.505 -2.953 11.080 288 3HZ LYS 37 HZ1 LYS 37 -1.902 -2.417 11.254 289 H ILE 38 HN ILE 38 -7.561 -2.806 6.551 290 HA ILE 38 HA ILE 38 -9.569 -4.417 5.088 291 HB ILE 38 HB ILE 38 -8.824 -1.498 4.736 292 1HG1 ILE 38 HG12 ILE 38 -11.132 -2.679 6.309 293 2HG1 ILE 38 HG11 ILE 38 -9.633 -2.119 7.052 294 1HG2 ILE 38 HG22 ILE 38 -11.087 -3.252 3.772 295 2HG2 ILE 38 HG21 ILE 38 -11.242 -1.497 3.844 296 3HG2 ILE 38 HG23 ILE 38 -10.012 -2.232 2.816 297 1HD1 ILE 38 HD11 ILE 38 -10.114 0.083 5.699 298 2HD1 ILE 38 HD13 ILE 38 -11.770 -0.523 5.670 299 3HD1 ILE 38 HD12 ILE 38 -10.972 -0.213 7.212 300 H MET 39 HN MET 39 -8.721 -5.655 3.481 301 HA MET 39 HA MET 39 -6.320 -4.759 2.015 302 1HB MET 39 HB2 MET 39 -6.729 -7.165 2.777 303 2HB MET 39 HB1 MET 39 -7.951 -7.257 1.509 304 1HG MET 39 HG2 MET 39 -6.142 -6.462 -0.108 305 2HG MET 39 HG1 MET 39 -4.985 -6.762 1.189 306 1HE MET 39 HE3 MET 39 -7.798 -7.893 -0.836 307 2HE MET 39 HE2 MET 39 -7.562 -9.600 -1.204 308 3HE MET 39 HE1 MET 39 -8.306 -9.130 0.322 309 H VAL 40 HN VAL 40 -6.753 -3.248 0.465 310 HA VAL 40 HA VAL 40 -9.259 -3.444 -1.110 311 HB VAL 40 HB VAL 40 -7.090 -1.326 -1.213 312 1HG1 VAL 40 HG12 VAL 40 -9.964 -1.392 -2.185 313 2HG1 VAL 40 HG11 VAL 40 -8.915 0.026 -2.229 314 3HG1 VAL 40 HG13 VAL 40 -8.522 -1.392 -3.201 315 1HG2 VAL 40 HG21 VAL 40 -9.683 -1.440 0.361 316 2HG2 VAL 40 HG23 VAL 40 -8.053 -1.422 1.033 317 3HG2 VAL 40 HG22 VAL 40 -8.676 -0.002 0.193 318 H VAL 41 HN VAL 41 -9.210 -4.567 -2.984 319 HA VAL 41 HA VAL 41 -6.698 -4.524 -4.601 320 HB VAL 41 HB VAL 41 -7.157 -6.917 -5.199 321 1HG1 VAL 41 HG13 VAL 41 -6.531 -6.024 -2.402 322 2HG1 VAL 41 HG12 VAL 41 -6.635 -7.749 -2.751 323 3HG1 VAL 41 HG11 VAL 41 -5.464 -6.745 -3.606 324 1HG2 VAL 41 HG21 VAL 41 -9.618 -6.698 -4.475 325 2HG2 VAL 41 HG23 VAL 41 -8.787 -8.184 -4.014 326 3HG2 VAL 41 HG22 VAL 41 -9.030 -6.905 -2.825 327 H GLY 42 HN GLY 42 -7.144 -5.123 -6.919 328 1HA GLY 42 HA2 GLY 42 -9.656 -3.832 -7.792 329 2HA GLY 42 HA1 GLY 42 -8.286 -4.234 -8.829 330 H ARG 43 HN ARG 43 -10.085 -5.120 -10.224 331 HA ARG 43 HA ARG 43 -11.409 -7.569 -9.320 332 1HB ARG 43 HB2 ARG 43 -11.251 -6.161 -11.997 333 2HB ARG 43 HB1 ARG 43 -12.133 -7.670 -11.756 334 1HG ARG 43 HG2 ARG 43 -13.322 -6.452 -9.816 335 2HG ARG 43 HG1 ARG 43 -12.676 -4.970 -10.522 336 1HD ARG 43 HD2 ARG 43 -14.168 -6.956 -12.226 337 2HD ARG 43 HD1 ARG 43 -15.039 -5.755 -11.272 338 HE ARG 43 HE ARG 43 -14.141 -4.032 -12.673 339 1HH1 ARG 43 HH11 ARG 43 -12.885 -7.184 -13.421 340 2HH1 ARG 43 HH12 ARG 43 -12.206 -6.685 -14.934 341 1HH2 ARG 43 HH21 ARG 43 -13.255 -3.396 -14.638 342 2HH2 ARG 43 HH22 ARG 43 -12.414 -4.551 -15.619 343 H ARG 44 HN ARG 44 -8.680 -6.716 -11.420 344 HA ARG 44 HA ARG 44 -8.182 -9.411 -12.334 345 1HB ARG 44 HB2 ARG 44 -7.337 -7.216 -13.372 346 2HB ARG 44 HB1 ARG 44 -6.105 -7.227 -12.110 347 1HG ARG 44 HG2 ARG 44 -5.030 -8.350 -13.863 348 2HG ARG 44 HG1 ARG 44 -5.674 -9.681 -12.901 349 1HD ARG 44 HD2 ARG 44 -6.261 -10.173 -15.165 350 2HD ARG 44 HD1 ARG 44 -7.739 -9.589 -14.399 351 HE ARG 44 HE ARG 44 -6.777 -7.283 -15.439 352 1HH1 ARG 44 HH11 ARG 44 -7.017 -10.477 -16.786 353 2HH1 ARG 44 HH12 ARG 44 -7.192 -9.907 -18.412 354 1HH2 ARG 44 HH21 ARG 44 -7.006 -6.556 -17.554 355 2HH2 ARG 44 HH22 ARG 44 -7.186 -7.698 -18.844 356 H THR 45 HN THR 45 -7.138 -7.516 -9.552 357 HA THR 45 HA THR 45 -5.144 -9.477 -8.702 358 HB THR 45 HB THR 45 -6.404 -7.288 -7.030 359 HG1 THR 45 HG1 THR 45 -4.925 -7.107 -9.255 360 1HG2 THR 45 HG21 THR 45 -3.733 -8.718 -6.951 361 2HG2 THR 45 HG23 THR 45 -4.171 -7.356 -5.920 362 3HG2 THR 45 HG22 THR 45 -5.045 -8.882 -5.783 363 H TYR 46 HN TYR 46 -8.545 -8.865 -8.130 364 HA TYR 46 HA TYR 46 -8.832 -10.453 -5.751 365 1HB TYR 46 HB2 TYR 46 -10.514 -8.787 -6.728 366 2HB TYR 46 HB1 TYR 46 -10.959 -10.060 -7.865 367 HD1 TYR 46 HD1 TYR 46 -10.339 -9.652 -4.181 368 HD2 TYR 46 HD2 TYR 46 -12.721 -11.455 -7.268 369 HE1 TYR 46 HE1 TYR 46 -11.788 -10.689 -2.457 370 HE2 TYR 46 HE2 TYR 46 -14.170 -12.492 -5.544 371 HH TYR 46 HH TYR 46 -14.750 -12.365 -3.313 372 H GLU 47 HN GLU 47 -8.863 -11.216 -9.198 373 HA GLU 47 HA GLU 47 -9.632 -14.016 -8.696 374 1HB GLU 47 HB2 GLU 47 -8.882 -12.480 -11.197 375 2HB GLU 47 HB1 GLU 47 -9.222 -14.211 -11.200 376 1HG GLU 47 HG2 GLU 47 -11.471 -13.910 -10.663 377 2HG GLU 47 HG1 GLU 47 -11.187 -12.330 -9.930 378 H SER 48 HN SER 48 -6.741 -12.120 -9.148 379 HA SER 48 HA SER 48 -4.946 -14.197 -9.944 380 1HB SER 48 HB2 SER 48 -3.175 -12.709 -9.181 381 2HB SER 48 HB1 SER 48 -4.416 -11.752 -9.986 382 HG SER 48 HG SER 48 -3.490 -11.419 -7.573 383 H PHE 49 HN PHE 49 -6.436 -13.448 -6.896 384 HA PHE 49 HA PHE 49 -4.570 -14.702 -5.130 385 1HB PHE 49 HB2 PHE 49 -7.576 -14.362 -4.931 386 2HB PHE 49 HB1 PHE 49 -6.562 -14.944 -3.610 387 HD1 PHE 49 HD2 PHE 49 -4.267 -13.390 -3.432 388 HD2 PHE 49 HD1 PHE 49 -8.152 -12.117 -4.750 389 HE1 PHE 49 HE2 PHE 49 -3.705 -11.051 -2.829 390 HE2 PHE 49 HE1 PHE 49 -7.590 -9.779 -4.147 391 HZ PHE 49 HZ PHE 49 -5.367 -9.245 -3.187 392 HA PRO 50 HA PRO 50 -5.295 -19.035 -5.834 393 1HB PRO 50 HB2 PRO 50 -4.912 -19.948 -3.214 394 2HB PRO 50 HB1 PRO 50 -3.639 -19.654 -4.407 395 1HG PRO 50 HG2 PRO 50 -4.171 -18.207 -1.995 396 2HG PRO 50 HG1 PRO 50 -2.886 -17.932 -3.179 397 1HD PRO 50 HD2 PRO 50 -5.380 -16.456 -2.796 398 2HD PRO 50 HD1 PRO 50 -3.946 -16.007 -3.733 399 H LYS 51 HN LYS 51 -6.640 -18.322 -2.585 400 HA LYS 51 HA LYS 51 -9.196 -19.587 -3.492 401 1HB LYS 51 HB2 LYS 51 -9.471 -20.375 -1.132 402 2HB LYS 51 HB1 LYS 51 -8.076 -21.093 -1.937 403 1HG LYS 51 HG2 LYS 51 -6.750 -19.095 -0.915 404 2HG LYS 51 HG1 LYS 51 -8.132 -18.943 0.171 405 1HD LYS 51 HD2 LYS 51 -6.664 -21.555 -0.256 406 2HD LYS 51 HD1 LYS 51 -6.238 -20.416 1.021 407 1HE LYS 51 HE2 LYS 51 -8.431 -20.600 2.014 408 2HE LYS 51 HE1 LYS 51 -9.021 -21.553 0.652 409 1HZ LYS 51 HZ3 LYS 51 -7.276 -23.216 1.233 410 2HZ LYS 51 HZ2 LYS 51 -6.985 -22.339 2.659 411 3HZ LYS 51 HZ1 LYS 51 -8.505 -23.051 2.390 412 H ARG 52 HN ARG 52 -10.651 -17.955 -3.658 413 HA ARG 52 HA ARG 52 -10.557 -15.756 -1.636 414 1HB ARG 52 HB2 ARG 52 -11.943 -14.496 -3.308 415 2HB ARG 52 HB1 ARG 52 -10.349 -14.942 -3.918 416 1HG ARG 52 HG2 ARG 52 -11.301 -16.872 -5.084 417 2HG ARG 52 HG1 ARG 52 -12.896 -16.508 -4.424 418 1HD ARG 52 HD2 ARG 52 -13.129 -14.561 -5.721 419 2HD ARG 52 HD1 ARG 52 -11.394 -14.439 -6.016 420 HE ARG 52 HE ARG 52 -11.662 -15.905 -7.842 421 1HH1 ARG 52 HH21 ARG 52 -14.398 -16.081 -5.708 422 2HH1 ARG 52 HH22 ARG 52 -15.305 -17.113 -6.763 423 1HH2 ARG 52 HH11 ARG 52 -12.848 -17.244 -9.202 424 2HH2 ARG 52 HH12 ARG 52 -14.431 -17.767 -8.731 425 HA PRO 53 HA PRO 53 -12.066 -13.987 -1.385 426 1HB PRO 53 HB2 PRO 53 -13.510 -13.272 0.903 427 2HB PRO 53 HB1 PRO 53 -13.983 -12.935 -0.768 428 1HG PRO 53 HG2 PRO 53 -15.226 -14.716 1.097 429 2HG PRO 53 HG1 PRO 53 -15.709 -14.356 -0.567 430 1HD PRO 53 HD2 PRO 53 -14.305 -16.701 0.477 431 2HD PRO 53 HD1 PRO 53 -15.096 -16.475 -1.091 432 H LEU 54 HN LEU 54 -10.439 -13.159 -0.018 433 HA LEU 54 HA LEU 54 -9.103 -15.026 1.709 434 1HB LEU 54 HB2 LEU 54 -8.731 -12.024 1.515 435 2HB LEU 54 HB1 LEU 54 -7.580 -13.174 2.195 436 HG LEU 54 HG LEU 54 -8.564 -13.248 -0.671 437 1HD1 LEU 54 HD11 LEU 54 -7.070 -11.252 0.146 438 2HD1 LEU 54 HD13 LEU 54 -5.788 -12.463 0.181 439 3HD1 LEU 54 HD12 LEU 54 -6.627 -12.111 -1.330 440 1HD2 LEU 54 HD23 LEU 54 -6.572 -14.820 0.957 441 2HD2 LEU 54 HD22 LEU 54 -7.843 -15.419 -0.108 442 3HD2 LEU 54 HD21 LEU 54 -6.392 -14.687 -0.792 443 HA PRO 55 HA PRO 55 -11.751 -13.988 5.266 444 1HB PRO 55 HB2 PRO 55 -10.813 -16.182 6.752 445 2HB PRO 55 HB1 PRO 55 -12.271 -16.141 5.752 446 1HG PRO 55 HG2 PRO 55 -9.867 -17.612 5.295 447 2HG PRO 55 HG1 PRO 55 -11.323 -17.556 4.291 448 1HD PRO 55 HD2 PRO 55 -8.753 -16.224 3.883 449 2HD PRO 55 HD1 PRO 55 -10.085 -16.460 2.742 450 H GLU 56 HN GLU 56 -11.120 -14.055 7.787 451 HA GLU 56 HA GLU 56 -9.783 -13.126 9.472 452 1HB GLU 56 HB2 GLU 56 -7.461 -13.941 7.699 453 2HB GLU 56 HB1 GLU 56 -7.413 -13.633 9.434 454 1HG GLU 56 HG2 GLU 56 -9.295 -15.501 9.483 455 2HG GLU 56 HG1 GLU 56 -8.549 -15.977 7.957 456 H ARG 57 HN ARG 57 -10.649 -11.535 7.088 457 HA ARG 57 HA ARG 57 -9.340 -9.077 7.726 458 1HB ARG 57 HB2 ARG 57 -8.133 -8.715 5.570 459 2HB ARG 57 HB1 ARG 57 -7.425 -10.013 6.531 460 1HG ARG 57 HG2 ARG 57 -9.075 -11.535 5.145 461 2HG ARG 57 HG1 ARG 57 -9.035 -10.190 4.005 462 1HD ARG 57 HD2 ARG 57 -7.250 -11.510 3.264 463 2HD ARG 57 HD1 ARG 57 -6.440 -10.344 4.310 464 HE ARG 57 HE ARG 57 -7.071 -12.452 6.006 465 1HH1 ARG 57 HH21 ARG 57 -5.360 -12.094 3.004 466 2HH1 ARG 57 HH22 ARG 57 -4.288 -13.418 3.320 467 1HH2 ARG 57 HH11 ARG 57 -5.676 -14.167 6.405 468 2HH2 ARG 57 HH12 ARG 57 -4.467 -14.586 5.237 469 H THR 58 HN THR 58 -9.754 -7.529 5.566 470 HA THR 58 HA THR 58 -12.603 -8.072 4.822 471 HB THR 58 HB THR 58 -11.340 -5.331 4.914 472 HG1 THR 58 HG1 THR 58 -11.619 -6.897 6.964 473 1HG2 THR 58 HG23 THR 58 -13.527 -5.741 3.731 474 2HG2 THR 58 HG22 THR 58 -14.204 -6.245 5.280 475 3HG2 THR 58 HG21 THR 58 -13.633 -4.590 5.063 476 H ASN 59 HN ASN 59 -12.837 -8.507 2.693 477 HA ASN 59 HA ASN 59 -10.706 -7.676 0.803 478 1HB ASN 59 HB2 ASN 59 -13.014 -9.622 0.618 479 2HB ASN 59 HB1 ASN 59 -12.057 -9.161 -0.791 480 1HD2 ASN 59 HD22 ASN 59 -9.940 -11.024 2.208 481 2HD2 ASN 59 HD21 ASN 59 -11.070 -9.825 2.617 482 H VAL 60 HN VAL 60 -11.038 -5.628 0.053 483 HA VAL 60 HA VAL 60 -13.824 -4.834 -0.681 484 HB VAL 60 HB VAL 60 -11.410 -3.050 -0.246 485 1HG1 VAL 60 HG11 VAL 60 -14.377 -2.505 -0.563 486 2HG1 VAL 60 HG13 VAL 60 -13.191 -1.291 -0.085 487 3HG1 VAL 60 HG12 VAL 60 -13.095 -2.038 -1.680 488 1HG2 VAL 60 HG22 VAL 60 -13.728 -3.709 1.602 489 2HG2 VAL 60 HG21 VAL 60 -12.051 -4.201 1.838 490 3HG2 VAL 60 HG23 VAL 60 -12.488 -2.494 1.916 491 H VAL 61 HN VAL 61 -14.216 -5.005 -2.826 492 HA VAL 61 HA VAL 61 -11.931 -4.786 -4.726 493 HB VAL 61 HB VAL 61 -14.753 -5.771 -5.245 494 1HG1 VAL 61 HG11 VAL 61 -12.181 -5.728 -6.825 495 2HG1 VAL 61 HG13 VAL 61 -13.458 -6.890 -7.185 496 3HG1 VAL 61 HG12 VAL 61 -13.778 -5.160 -7.313 497 1HG2 VAL 61 HG22 VAL 61 -13.572 -7.181 -3.583 498 2HG2 VAL 61 HG21 VAL 61 -13.775 -8.030 -5.116 499 3HG2 VAL 61 HG23 VAL 61 -12.210 -7.335 -4.693 500 H LEU 62 HN LEU 62 -11.708 -2.901 -5.811 501 HA LEU 62 HA LEU 62 -14.005 -1.011 -5.878 502 1HB LEU 62 HB2 LEU 62 -11.724 -0.286 -5.027 503 2HB LEU 62 HB1 LEU 62 -11.132 -0.477 -6.678 504 HG LEU 62 HG LEU 62 -13.087 1.061 -7.363 505 1HD1 LEU 62 HD12 LEU 62 -13.082 1.318 -4.361 506 2HD1 LEU 62 HD11 LEU 62 -13.579 2.674 -5.374 507 3HD1 LEU 62 HD13 LEU 62 -14.456 1.146 -5.454 508 1HD2 LEU 62 HD21 LEU 62 -10.613 1.663 -7.192 509 2HD2 LEU 62 HD23 LEU 62 -11.734 3.014 -7.028 510 3HD2 LEU 62 HD22 LEU 62 -10.973 2.321 -5.596 511 H THR 63 HN THR 63 -15.245 -1.262 -7.674 512 HA THR 63 HA THR 63 -13.891 -1.297 -10.316 513 HB THR 63 HB THR 63 -14.325 -3.651 -9.878 514 HG1 THR 63 HG1 THR 63 -16.117 -3.890 -11.509 515 1HG2 THR 63 HG22 THR 63 -17.169 -2.764 -9.319 516 2HG2 THR 63 HG21 THR 63 -16.617 -4.437 -9.386 517 3HG2 THR 63 HG23 THR 63 -16.020 -3.362 -8.123 518 H HIS 64 HN HIS 64 -15.073 -0.216 -11.905 519 HA HIS 64 HA HIS 64 -17.462 1.258 -10.927 520 1HB HIS 64 HB2 HIS 64 -15.349 2.300 -12.117 521 2HB HIS 64 HB1 HIS 64 -16.165 1.765 -13.586 522 HD1 HIS 64 HD1 HIS 64 -18.781 2.596 -13.759 523 HD2 HIS 64 HD2 HIS 64 -16.306 4.713 -11.157 524 HE1 HIS 64 HE1 HIS 64 -19.940 4.801 -13.302 525 H GLN 65 HN GLN 65 -17.572 -1.586 -11.733 526 HA GLN 65 HA GLN 65 -19.502 -1.307 -14.003 527 1HB GLN 65 HB2 GLN 65 -17.244 -2.558 -14.426 528 2HB GLN 65 HB1 GLN 65 -17.982 -3.853 -13.483 529 1HG GLN 65 HG2 GLN 65 -19.728 -4.158 -15.036 530 2HG GLN 65 HG1 GLN 65 -19.465 -2.578 -15.776 531 1HE2 GLN 65 HE22 GLN 65 -16.874 -5.632 -16.742 532 2HE2 GLN 65 HE21 GLN 65 -17.664 -5.665 -15.239 533 H GLU 66 HN GLU 66 -21.487 -2.275 -13.684 534 HA GLU 66 HA GLU 66 -21.988 -3.399 -10.984 535 1HB GLU 66 HB2 GLU 66 -23.762 -2.339 -13.185 536 2HB GLU 66 HB1 GLU 66 -24.427 -3.259 -11.834 537 1HG GLU 66 HG2 GLU 66 -23.778 -1.644 -10.251 538 2HG GLU 66 HG1 GLU 66 -22.596 -0.918 -11.341 539 H ASP 67 HN ASP 67 -20.580 -4.931 -13.107 540 HA ASP 67 HA ASP 67 -22.573 -7.107 -13.581 541 1HB ASP 67 HB2 ASP 67 -19.995 -6.372 -14.985 542 2HB ASP 67 HB1 ASP 67 -20.806 -7.917 -15.243 543 H TYR 68 HN TYR 68 -19.285 -6.430 -12.416 544 HA TYR 68 HA TYR 68 -18.740 -9.178 -11.661 545 1HB TYR 68 HB2 TYR 68 -17.056 -7.246 -12.096 546 2HB TYR 68 HB1 TYR 68 -17.400 -6.773 -10.432 547 HD1 TYR 68 HD2 TYR 68 -16.427 -9.747 -12.491 548 HD2 TYR 68 HD1 TYR 68 -16.265 -7.809 -8.661 549 HE1 TYR 68 HE2 TYR 68 -14.878 -11.501 -11.669 550 HE2 TYR 68 HE1 TYR 68 -14.716 -9.563 -7.839 551 HH TYR 68 HH TYR 68 -14.110 -12.460 -9.622 552 H GLN 69 HN GLN 69 -19.145 -10.182 -9.717 553 HA GLN 69 HA GLN 69 -20.145 -8.548 -7.443 554 1HB GLN 69 HB2 GLN 69 -21.602 -10.832 -8.785 555 2HB GLN 69 HB1 GLN 69 -21.942 -10.356 -7.120 556 1HG GLN 69 HG2 GLN 69 -21.935 -8.309 -9.331 557 2HG GLN 69 HG1 GLN 69 -23.368 -9.287 -9.012 558 1HE2 GLN 69 HE22 GLN 69 -23.585 -7.900 -5.576 559 2HE2 GLN 69 HE21 GLN 69 -23.490 -9.446 -6.270 560 H ALA 70 HN ALA 70 -18.473 -9.039 -6.057 561 HA ALA 70 HA ALA 70 -17.402 -11.770 -5.888 562 1HB ALA 70 HB3 ALA 70 -15.958 -9.739 -5.620 563 2HB ALA 70 HB2 ALA 70 -16.823 -9.369 -4.128 564 3HB ALA 70 HB1 ALA 70 -15.861 -10.843 -4.248 565 H GLN 71 HN GLN 71 -18.445 -13.289 -4.711 566 HA GLN 71 HA GLN 71 -20.486 -12.580 -2.755 567 1HB GLN 71 HB2 GLN 71 -19.264 -15.206 -3.632 568 2HB GLN 71 HB1 GLN 71 -20.491 -15.105 -2.368 569 1HG GLN 71 HG2 GLN 71 -20.889 -13.882 -5.105 570 2HG GLN 71 HG1 GLN 71 -21.354 -15.544 -4.737 571 1HE2 GLN 71 HE22 GLN 71 -23.779 -12.551 -3.605 572 2HE2 GLN 71 HE21 GLN 71 -22.459 -12.324 -4.647 573 H GLY 72 HN GLY 72 -20.233 -12.425 -0.565 574 1HA GLY 72 HA2 GLY 72 -19.226 -12.568 1.558 575 2HA GLY 72 HA1 GLY 72 -18.110 -13.759 0.888 576 H ALA 73 HN ALA 73 -18.622 -10.468 -0.319 577 HA ALA 73 HA ALA 73 -16.114 -9.509 0.879 578 1HB ALA 73 HB2 ALA 73 -16.410 -9.927 -2.110 579 2HB ALA 73 HB1 ALA 73 -15.145 -8.941 -1.374 580 3HB ALA 73 HB3 ALA 73 -15.215 -10.673 -1.049 581 H VAL 74 HN VAL 74 -16.060 -7.254 0.946 582 HA VAL 74 HA VAL 74 -18.567 -5.875 0.417 583 HB VAL 74 HB VAL 74 -15.879 -4.694 1.177 584 1HG1 VAL 74 HG11 VAL 74 -17.657 -3.126 0.344 585 2HG1 VAL 74 HG13 VAL 74 -18.699 -3.685 1.652 586 3HG1 VAL 74 HG12 VAL 74 -17.197 -2.838 2.022 587 1HG2 VAL 74 HG22 VAL 74 -18.052 -6.026 2.783 588 2HG2 VAL 74 HG21 VAL 74 -16.304 -6.232 2.902 589 3HG2 VAL 74 HG23 VAL 74 -17.062 -4.760 3.509 590 H VAL 75 HN VAL 75 -18.933 -5.839 -1.817 591 HA VAL 75 HA VAL 75 -16.843 -4.985 -3.680 592 HB VAL 75 HB VAL 75 -19.821 -5.297 -4.167 593 1HG1 VAL 75 HG11 VAL 75 -18.243 -4.045 -5.820 594 2HG1 VAL 75 HG13 VAL 75 -17.587 -5.647 -6.160 595 3HG1 VAL 75 HG12 VAL 75 -19.292 -5.310 -6.460 596 1HG2 VAL 75 HG23 VAL 75 -18.810 -7.367 -3.249 597 2HG2 VAL 75 HG22 VAL 75 -19.254 -7.567 -4.944 598 3HG2 VAL 75 HG21 VAL 75 -17.568 -7.306 -4.499 599 H VAL 76 HN VAL 76 -16.249 -2.860 -3.391 600 HA VAL 76 HA VAL 76 -18.351 -0.806 -2.993 601 HB VAL 76 HB VAL 76 -16.391 0.731 -2.696 602 1HG1 VAL 76 HG11 VAL 76 -16.444 -1.809 -1.040 603 2HG1 VAL 76 HG13 VAL 76 -15.607 -0.331 -0.564 604 3HG1 VAL 76 HG12 VAL 76 -17.362 -0.333 -0.737 605 1HG2 VAL 76 HG22 VAL 76 -14.871 -1.856 -3.140 606 2HG2 VAL 76 HG21 VAL 76 -14.758 -0.381 -4.100 607 3HG2 VAL 76 HG23 VAL 76 -14.152 -0.404 -2.445 608 H HIS 77 HN HIS 77 -18.356 1.120 -4.392 609 HA HIS 77 HA HIS 77 -17.118 0.724 -7.070 610 1HB HIS 77 HB2 HIS 77 -20.049 1.327 -6.569 611 2HB HIS 77 HB1 HIS 77 -19.268 1.357 -8.150 612 HD1 HIS 77 HD1 HIS 77 -18.989 -0.849 -9.345 613 HD2 HIS 77 HD2 HIS 77 -20.053 -1.350 -5.345 614 HE1 HIS 77 HE1 HIS 77 -19.447 -3.319 -9.030 615 H ASP 78 HN ASP 78 -16.611 2.534 -4.763 616 HA ASP 78 HA ASP 78 -16.454 5.025 -6.276 617 1HB ASP 78 HB2 ASP 78 -18.820 4.930 -5.245 618 2HB ASP 78 HB1 ASP 78 -18.012 5.141 -3.692 619 H VAL 79 HN VAL 79 -14.920 6.446 -5.352 620 HA VAL 79 HA VAL 79 -12.974 5.244 -3.600 621 HB VAL 79 HB VAL 79 -13.285 8.177 -4.311 622 1HG1 VAL 79 HG11 VAL 79 -10.923 6.496 -3.417 623 2HG1 VAL 79 HG13 VAL 79 -10.812 8.171 -3.959 624 3HG1 VAL 79 HG12 VAL 79 -11.707 7.776 -2.492 625 1HG2 VAL 79 HG22 VAL 79 -11.943 5.880 -5.765 626 2HG2 VAL 79 HG21 VAL 79 -13.225 6.928 -6.372 627 3HG2 VAL 79 HG23 VAL 79 -11.604 7.574 -6.116 628 H ALA 80 HN ALA 80 -15.626 7.529 -3.111 629 HA ALA 80 HA ALA 80 -14.932 8.239 -0.403 630 1HB ALA 80 HB3 ALA 80 -16.494 9.567 -1.817 631 2HB ALA 80 HB2 ALA 80 -17.659 8.246 -1.734 632 3HB ALA 80 HB1 ALA 80 -17.214 9.121 -0.270 633 H ALA 81 HN ALA 81 -16.748 5.598 -1.853 634 HA ALA 81 HA ALA 81 -17.992 4.650 0.563 635 1HB ALA 81 HB2 ALA 81 -17.286 3.301 -2.053 636 2HB ALA 81 HB1 ALA 81 -18.118 2.459 -0.745 637 3HB ALA 81 HB3 ALA 81 -18.872 3.856 -1.516 638 H VAL 82 HN VAL 82 -14.867 4.023 -0.977 639 HA VAL 82 HA VAL 82 -14.089 1.866 0.771 640 HB VAL 82 HB VAL 82 -12.292 3.813 -0.705 641 1HG1 VAL 82 HG13 VAL 82 -11.189 2.372 0.993 642 2HG1 VAL 82 HG12 VAL 82 -11.864 0.948 0.199 643 3HG1 VAL 82 HG11 VAL 82 -10.689 1.957 -0.647 644 1HG2 VAL 82 HG21 VAL 82 -13.885 1.426 -1.595 645 2HG2 VAL 82 HG23 VAL 82 -13.614 2.956 -2.429 646 3HG2 VAL 82 HG22 VAL 82 -12.326 1.753 -2.353 647 H PHE 83 HN PHE 83 -13.601 5.386 0.863 648 HA PHE 83 HA PHE 83 -11.997 5.299 3.290 649 1HB PHE 83 HB2 PHE 83 -13.378 7.517 1.769 650 2HB PHE 83 HB1 PHE 83 -12.534 7.812 3.290 651 HD1 PHE 83 HD2 PHE 83 -10.128 6.510 3.372 652 HD2 PHE 83 HD1 PHE 83 -12.138 7.911 -0.156 653 HE1 PHE 83 HE2 PHE 83 -7.964 6.569 2.162 654 HE2 PHE 83 HE1 PHE 83 -9.974 7.971 -1.366 655 HZ PHE 83 HZ PHE 83 -7.887 7.300 -0.207 656 H ALA 84 HN ALA 84 -15.411 5.597 2.524 657 HA ALA 84 HA ALA 84 -16.299 6.539 5.089 658 1HB ALA 84 HB3 ALA 84 -17.704 6.570 3.030 659 2HB ALA 84 HB2 ALA 84 -17.795 4.810 3.093 660 3HB ALA 84 HB1 ALA 84 -18.515 5.777 4.380 661 H TYR 85 HN TYR 85 -15.695 3.306 3.774 662 HA TYR 85 HA TYR 85 -16.787 1.866 6.026 663 1HB TYR 85 HB2 TYR 85 -16.273 0.954 3.681 664 2HB TYR 85 HB1 TYR 85 -14.590 0.870 4.203 665 HD1 TYR 85 HD2 TYR 85 -18.026 -0.353 4.905 666 HD2 TYR 85 HD1 TYR 85 -13.835 -0.817 5.727 667 HE1 TYR 85 HE2 TYR 85 -18.491 -2.495 6.067 668 HE2 TYR 85 HE1 TYR 85 -14.300 -2.958 6.889 669 HH TYR 85 HH TYR 85 -17.635 -4.186 7.212 670 H ALA 86 HN ALA 86 -13.514 2.970 5.168 671 HA ALA 86 HA ALA 86 -12.215 1.786 7.451 672 1HB ALA 86 HB2 ALA 86 -11.444 4.106 5.661 673 2HB ALA 86 HB1 ALA 86 -10.391 3.449 6.913 674 3HB ALA 86 HB3 ALA 86 -10.875 2.440 5.550 675 H LYS 87 HN LYS 87 -13.983 4.763 6.937 676 HA LYS 87 HA LYS 87 -13.040 6.204 9.231 677 1HB LYS 87 HB2 LYS 87 -14.507 7.005 7.219 678 2HB LYS 87 HB1 LYS 87 -15.859 6.445 8.204 679 1HG LYS 87 HG2 LYS 87 -15.090 7.879 10.067 680 2HG LYS 87 HG1 LYS 87 -13.757 8.455 9.065 681 1HD LYS 87 HD2 LYS 87 -16.592 8.670 8.078 682 2HD LYS 87 HD1 LYS 87 -15.942 9.882 9.184 683 1HE LYS 87 HE2 LYS 87 -14.097 10.343 7.642 684 2HE LYS 87 HE1 LYS 87 -14.670 9.082 6.550 685 1HZ LYS 87 HZ1 LYS 87 -16.756 10.895 7.195 686 2HZ LYS 87 HZ3 LYS 87 -15.423 11.730 6.560 687 3HZ LYS 87 HZ2 LYS 87 -16.136 10.470 5.671 688 H GLN 88 HN GLN 88 -15.829 4.027 8.762 689 HA GLN 88 HA GLN 88 -16.787 4.239 11.468 690 1HB GLN 88 HB2 GLN 88 -17.151 2.027 9.423 691 2HB GLN 88 HB1 GLN 88 -18.071 2.181 10.920 692 1HG GLN 88 HG2 GLN 88 -17.944 4.432 8.913 693 2HG GLN 88 HG1 GLN 88 -19.142 3.144 8.778 694 1HE2 GLN 88 HE22 GLN 88 -19.974 6.139 11.221 695 2HE2 GLN 88 HE21 GLN 88 -18.901 6.213 9.908 696 H HIS 89 HN HIS 89 -14.292 2.334 9.932 697 HA HIS 89 HA HIS 89 -13.819 0.939 12.539 698 1HB HIS 89 HB2 HIS 89 -13.089 -0.003 9.748 699 2HB HIS 89 HB1 HIS 89 -12.794 -0.883 11.247 700 HD1 HIS 89 HD1 HIS 89 -14.673 -1.930 8.914 701 HD2 HIS 89 HD2 HIS 89 -15.970 -0.024 12.387 702 HE1 HIS 89 HE1 HIS 89 -17.084 -2.625 9.254 703 HA PRO 90 HA PRO 90 -10.130 3.624 11.908 704 1HB PRO 90 HB2 PRO 90 -9.975 4.233 14.638 705 2HB PRO 90 HB1 PRO 90 -10.724 5.239 13.391 706 1HG PRO 90 HG2 PRO 90 -12.001 3.833 15.532 707 2HG PRO 90 HG1 PRO 90 -12.743 4.861 14.298 708 1HD PRO 90 HD2 PRO 90 -12.683 1.944 14.468 709 2HD PRO 90 HD1 PRO 90 -13.682 2.985 13.441 710 H ASP 91 HN ASP 91 -10.852 0.968 14.044 711 HA ASP 91 HA ASP 91 -8.211 0.571 15.120 712 1HB ASP 91 HB2 ASP 91 -9.037 -1.752 15.587 713 2HB ASP 91 HB1 ASP 91 -10.128 -0.495 16.171 714 H GLN 92 HN GLN 92 -9.730 -0.245 12.083 715 HA GLN 92 HA GLN 92 -7.528 -2.071 11.326 716 1HB GLN 92 HB2 GLN 92 -10.063 -1.177 9.932 717 2HB GLN 92 HB1 GLN 92 -8.846 -2.184 9.146 718 1HG GLN 92 HG2 GLN 92 -9.060 -3.758 11.152 719 2HG GLN 92 HG1 GLN 92 -10.501 -2.841 11.589 720 1HE2 GLN 92 HE22 GLN 92 -12.510 -4.545 9.267 721 2HE2 GLN 92 HE21 GLN 92 -12.413 -3.596 10.671 722 H GLU 93 HN GLU 93 -6.830 -1.600 8.859 723 HA GLU 93 HA GLU 93 -6.299 1.314 8.531 724 1HB GLU 93 HB2 GLU 93 -4.261 -0.911 8.673 725 2HB GLU 93 HB1 GLU 93 -3.918 0.598 7.827 726 1HG GLU 93 HG2 GLU 93 -4.340 1.883 9.854 727 2HG GLU 93 HG1 GLU 93 -4.827 0.422 10.714 728 H LEU 94 HN LEU 94 -5.927 1.929 6.335 729 HA LEU 94 HA LEU 94 -7.017 -0.008 4.374 730 1HB LEU 94 HB2 LEU 94 -7.806 2.435 4.602 731 2HB LEU 94 HB1 LEU 94 -6.280 2.871 3.833 732 HG LEU 94 HG LEU 94 -6.929 1.136 2.022 733 1HD1 LEU 94 HD11 LEU 94 -9.524 1.520 3.521 734 2HD1 LEU 94 HD13 LEU 94 -9.495 1.049 1.822 735 3HD1 LEU 94 HD12 LEU 94 -8.755 0.008 3.039 736 1HD2 LEU 94 HD22 LEU 94 -8.188 3.833 2.474 737 2HD2 LEU 94 HD21 LEU 94 -6.931 3.375 1.325 738 3HD2 LEU 94 HD23 LEU 94 -8.604 2.898 1.037 739 H VAL 95 HN VAL 95 -5.689 -1.086 3.004 740 HA VAL 95 HA VAL 95 -3.005 0.079 2.408 741 HB VAL 95 HB VAL 95 -3.539 -2.853 2.969 742 1HG1 VAL 95 HG11 VAL 95 -1.674 -2.309 1.392 743 2HG1 VAL 95 HG13 VAL 95 -0.944 -1.315 2.653 744 3HG1 VAL 95 HG12 VAL 95 -1.112 -3.055 2.888 745 1HG2 VAL 95 HG23 VAL 95 -3.753 -1.444 5.007 746 2HG2 VAL 95 HG22 VAL 95 -2.327 -2.480 5.073 747 3HG2 VAL 95 HG21 VAL 95 -2.156 -0.768 4.688 748 H ILE 96 HN ILE 96 -2.646 0.168 0.245 749 HA ILE 96 HA ILE 96 -4.544 -1.203 -1.565 750 HB ILE 96 HB ILE 96 -2.293 0.703 -2.261 751 1HG1 ILE 96 HG12 ILE 96 -3.878 1.768 -0.691 752 2HG1 ILE 96 HG11 ILE 96 -4.033 2.459 -2.304 753 1HG2 ILE 96 HG23 ILE 96 -3.264 -0.753 -4.078 754 2HG2 ILE 96 HG22 ILE 96 -4.823 0.014 -3.778 755 3HG2 ILE 96 HG21 ILE 96 -3.463 0.977 -4.353 756 1HD1 ILE 96 HD13 ILE 96 -5.972 0.960 -2.735 757 2HD1 ILE 96 HD12 ILE 96 -5.838 0.343 -1.089 758 3HD1 ILE 96 HD11 ILE 96 -6.257 2.033 -1.365 759 H ALA 97 HN ALA 97 -4.010 -3.054 -2.612 760 HA ALA 97 HA ALA 97 -1.136 -3.883 -2.602 761 1HB ALA 97 HB2 ALA 97 -3.712 -5.410 -2.373 762 2HB ALA 97 HB1 ALA 97 -2.291 -6.208 -3.046 763 3HB ALA 97 HB3 ALA 97 -2.242 -5.555 -1.409 764 H GLY 98 HN GLY 98 -3.926 -3.235 -4.574 765 1HA GLY 98 HA2 GLY 98 -2.664 -2.811 -6.981 766 2HA GLY 98 HA1 GLY 98 -2.889 -4.561 -6.963 767 H GLY 99 HN GLY 99 -5.950 -3.343 -8.600 768 1HA GLY 99 HA2 GLY 99 -3.227 -4.354 -9.015 769 2HA GLY 99 HA1 GLY 99 -4.414 -4.013 -10.275 770 H ALA 100 HN ALA 100 -2.771 -2.874 -11.488 771 HA ALA 100 HA ALA 100 -1.315 -0.632 -10.427 772 1HB ALA 100 HB2 ALA 100 -0.645 -1.826 -12.493 773 2HB ALA 100 HB1 ALA 100 -2.094 -1.225 -13.299 774 3HB ALA 100 HB3 ALA 100 -0.841 -0.097 -12.782 775 H GLN 101 HN GLN 101 -4.470 -0.967 -11.978 776 HA GLN 101 HA GLN 101 -4.921 1.883 -12.280 777 1HB GLN 101 HB2 GLN 101 -6.851 -0.457 -12.227 778 2HB GLN 101 HB1 GLN 101 -7.293 1.194 -12.661 779 1HG GLN 101 HG2 GLN 101 -5.400 1.052 -14.406 780 2HG GLN 101 HG1 GLN 101 -5.440 -0.689 -14.121 781 1HE2 GLN 101 HE22 GLN 101 -8.848 1.016 -15.694 782 2HE2 GLN 101 HE21 GLN 101 -7.926 1.903 -14.579 783 H ILE 102 HN ILE 102 -5.371 -0.443 -9.709 784 HA ILE 102 HA ILE 102 -7.191 1.185 -8.137 785 HB ILE 102 HB ILE 102 -5.344 -1.028 -7.198 786 1HG1 ILE 102 HG12 ILE 102 -6.759 -1.786 -9.078 787 2HG1 ILE 102 HG11 ILE 102 -7.271 -2.532 -7.567 788 1HG2 ILE 102 HG22 ILE 102 -6.328 0.337 -5.399 789 2HG2 ILE 102 HG21 ILE 102 -7.937 0.073 -6.072 790 3HG2 ILE 102 HG23 ILE 102 -7.025 -1.283 -5.408 791 1HD1 ILE 102 HD11 ILE 102 -9.037 -0.768 -7.350 792 2HD1 ILE 102 HD13 ILE 102 -8.568 -0.154 -8.936 793 3HD1 ILE 102 HD12 ILE 102 -9.244 -1.776 -8.782 794 H PHE 103 HN PHE 103 -3.681 0.787 -8.313 795 HA PHE 103 HA PHE 103 -3.015 2.253 -5.949 796 1HB PHE 103 HB2 PHE 103 -1.534 1.710 -8.526 797 2HB PHE 103 HB1 PHE 103 -0.820 2.673 -7.233 798 HD1 PHE 103 HD1 PHE 103 -1.510 1.455 -4.775 799 HD2 PHE 103 HD2 PHE 103 -0.707 -0.465 -8.532 800 HE1 PHE 103 HE1 PHE 103 -0.876 -0.621 -3.577 801 HE2 PHE 103 HE2 PHE 103 -0.074 -2.542 -7.334 802 HZ PHE 103 HZ PHE 103 -0.158 -2.620 -4.857 803 H THR 104 HN THR 104 -3.114 3.330 -9.365 804 HA THR 104 HA THR 104 -2.652 6.094 -8.800 805 HB THR 104 HB THR 104 -4.328 5.134 -11.117 806 HG1 THR 104 HG1 THR 104 -2.519 3.749 -10.877 807 1HG2 THR 104 HG23 THR 104 -3.928 7.557 -10.836 808 2HG2 THR 104 HG22 THR 104 -2.189 7.262 -10.825 809 3HG2 THR 104 HG21 THR 104 -3.130 6.937 -12.281 810 H ALA 105 HN ALA 105 -5.475 4.104 -8.478 811 HA ALA 105 HA ALA 105 -7.448 6.216 -8.594 812 1HB ALA 105 HB2 ALA 105 -8.006 3.805 -8.870 813 2HB ALA 105 HB1 ALA 105 -7.595 3.537 -7.176 814 3HB ALA 105 HB3 ALA 105 -8.962 4.567 -7.599 815 H PHE 106 HN PHE 106 -5.383 4.896 -6.073 816 HA PHE 106 HA PHE 106 -6.597 6.837 -4.142 817 1HB PHE 106 HB2 PHE 106 -5.292 4.144 -3.722 818 2HB PHE 106 HB1 PHE 106 -5.494 5.297 -2.402 819 HD1 PHE 106 HD1 PHE 106 -7.809 6.111 -1.811 820 HD2 PHE 106 HD2 PHE 106 -7.130 2.864 -4.539 821 HE1 PHE 106 HE1 PHE 106 -10.166 5.391 -1.540 822 HE2 PHE 106 HE2 PHE 106 -9.488 2.144 -4.268 823 HZ PHE 106 HZ PHE 106 -11.006 3.408 -2.768 824 H LYS 107 HN LYS 107 -4.248 6.950 -6.206 825 HA LYS 107 HA LYS 107 -1.836 7.263 -4.662 826 1HB LYS 107 HB2 LYS 107 -0.995 8.466 -6.681 827 2HB LYS 107 HB1 LYS 107 -1.735 6.916 -7.077 828 1HG LYS 107 HG2 LYS 107 -2.867 8.173 -8.618 829 2HG LYS 107 HG1 LYS 107 -3.913 8.517 -7.241 830 1HD LYS 107 HD2 LYS 107 -3.059 10.646 -6.942 831 2HD LYS 107 HD1 LYS 107 -1.489 10.225 -7.628 832 1HE LYS 107 HE2 LYS 107 -2.344 10.274 -9.860 833 2HE LYS 107 HE1 LYS 107 -4.013 10.332 -9.292 834 1HZ LYS 107 HZ2 LYS 107 -1.968 12.444 -8.864 835 2HZ LYS 107 HZ1 LYS 107 -3.235 12.511 -9.994 836 3HZ LYS 107 HZ3 LYS 107 -3.582 12.502 -8.334 837 H ASP 108 HN ASP 108 -4.589 9.303 -5.224 838 HA ASP 108 HA ASP 108 -3.320 11.834 -4.649 839 1HB ASP 108 HB2 ASP 108 -5.646 11.335 -5.735 840 2HB ASP 108 HB1 ASP 108 -6.218 11.267 -4.067 841 H ASP 109 HN ASP 109 -5.168 9.516 -2.661 842 HA ASP 109 HA ASP 109 -4.444 11.061 -0.228 843 1HB ASP 109 HB2 ASP 109 -6.316 8.718 -0.675 844 2HB ASP 109 HB1 ASP 109 -5.995 9.432 0.906 845 H VAL 110 HN VAL 110 -2.317 9.741 -1.578 846 HA VAL 110 HA VAL 110 -1.797 7.251 -0.079 847 HB VAL 110 HB VAL 110 -1.165 7.384 -2.464 848 1HG1 VAL 110 HG12 VAL 110 -0.633 9.908 -2.251 849 2HG1 VAL 110 HG11 VAL 110 0.957 9.385 -1.696 850 3HG1 VAL 110 HG13 VAL 110 0.395 8.941 -3.308 851 1HG2 VAL 110 HG22 VAL 110 0.258 6.214 -0.535 852 2HG2 VAL 110 HG21 VAL 110 0.825 6.232 -2.204 853 3HG2 VAL 110 HG23 VAL 110 1.468 7.392 -1.042 854 H ASP 111 HN ASP 111 -0.204 7.059 1.521 855 HA ASP 111 HA ASP 111 1.109 9.599 2.398 856 1HB ASP 111 HB2 ASP 111 -0.121 7.469 4.176 857 2HB ASP 111 HB1 ASP 111 0.749 8.896 4.740 858 H THR 112 HN THR 112 1.168 6.129 3.295 859 HA THR 112 HA THR 112 4.116 6.251 3.457 860 HB THR 112 HB THR 112 2.399 3.805 3.900 861 HG1 THR 112 HG1 THR 112 1.500 4.976 5.398 862 1HG2 THR 112 HG22 THR 112 5.046 4.755 5.031 863 2HG2 THR 112 HG21 THR 112 4.232 3.255 5.475 864 3HG2 THR 112 HG23 THR 112 4.828 3.481 3.830 865 H LEU 113 HN LEU 113 5.373 4.457 2.386 866 HA LEU 113 HA LEU 113 4.111 3.389 -0.080 867 1HB LEU 113 HB2 LEU 113 6.493 5.241 0.029 868 2HB LEU 113 HB1 LEU 113 6.249 4.133 -1.322 869 HG LEU 113 HG LEU 113 4.062 5.996 -0.397 870 1HD1 LEU 113 HD12 LEU 113 6.388 6.527 -2.245 871 2HD1 LEU 113 HD11 LEU 113 4.858 7.384 -2.431 872 3HD1 LEU 113 HD13 LEU 113 5.777 7.534 -0.933 873 1HD2 LEU 113 HD22 LEU 113 3.769 3.938 -1.978 874 2HD2 LEU 113 HD21 LEU 113 3.059 5.477 -2.463 875 3HD2 LEU 113 HD23 LEU 113 4.583 4.946 -3.174 876 H LEU 114 HN LEU 114 4.348 1.305 0.865 877 HA LEU 114 HA LEU 114 7.063 0.417 1.637 878 1HB LEU 114 HB2 LEU 114 4.376 -0.991 1.665 879 2HB LEU 114 HB1 LEU 114 5.885 -1.720 2.216 880 HG LEU 114 HG LEU 114 4.954 0.926 3.319 881 1HD1 LEU 114 HD11 LEU 114 3.120 -0.717 3.628 882 2HD1 LEU 114 HD13 LEU 114 4.261 -1.828 4.386 883 3HD1 LEU 114 HD12 LEU 114 3.880 -0.291 5.161 884 1HD2 LEU 114 HD22 LEU 114 6.840 -1.280 4.163 885 2HD2 LEU 114 HD21 LEU 114 7.205 0.425 3.894 886 3HD2 LEU 114 HD23 LEU 114 6.268 -0.064 5.306 887 H VAL 115 HN VAL 115 8.308 0.056 -0.167 888 HA VAL 115 HA VAL 115 7.111 -1.617 -2.339 889 HB VAL 115 HB VAL 115 7.758 0.649 -3.081 890 1HG1 VAL 115 HG11 VAL 115 9.642 0.740 -1.288 891 2HG1 VAL 115 HG13 VAL 115 10.630 -0.056 -2.513 892 3HG1 VAL 115 HG12 VAL 115 9.925 1.526 -2.841 893 1HG2 VAL 115 HG22 VAL 115 8.047 -1.405 -4.557 894 2HG2 VAL 115 HG21 VAL 115 9.036 -0.014 -5.002 895 3HG2 VAL 115 HG23 VAL 115 9.759 -1.367 -4.132 896 H THR 116 HN THR 116 8.162 -3.508 -2.881 897 HA THR 116 HA THR 116 10.562 -4.206 -1.244 898 HB THR 116 HB THR 116 8.639 -6.069 -2.670 899 HG1 THR 116 HG1 THR 116 8.272 -6.414 -0.211 900 1HG2 THR 116 HG21 THR 116 10.809 -6.541 -0.607 901 2HG2 THR 116 HG23 THR 116 9.699 -7.772 -1.209 902 3HG2 THR 116 HG22 THR 116 10.864 -7.025 -2.302 903 H ARG 117 HN ARG 117 12.302 -3.637 -2.514 904 HA ARG 117 HA ARG 117 12.263 -4.173 -5.415 905 1HB ARG 117 HB2 ARG 117 14.482 -3.063 -3.669 906 2HB ARG 117 HB1 ARG 117 14.437 -3.049 -5.432 907 1HG ARG 117 HG2 ARG 117 12.156 -1.827 -3.918 908 2HG ARG 117 HG1 ARG 117 13.661 -0.921 -4.070 909 1HD ARG 117 HD2 ARG 117 12.598 -2.186 -6.548 910 2HD ARG 117 HD1 ARG 117 11.721 -0.789 -5.925 911 HE ARG 117 HE ARG 117 14.519 -0.777 -6.913 912 1HH1 ARG 117 HH21 ARG 117 11.812 0.880 -5.500 913 2HH1 ARG 117 HH22 ARG 117 12.444 2.455 -5.845 914 1HH2 ARG 117 HH11 ARG 117 15.328 1.272 -7.357 915 2HH2 ARG 117 HH12 ARG 117 14.425 2.675 -6.892 916 H LEU 118 HN LEU 118 13.299 -5.879 -6.381 917 HA LEU 118 HA LEU 118 14.744 -7.775 -4.576 918 1HB LEU 118 HB2 LEU 118 12.852 -8.115 -6.823 919 2HB LEU 118 HB1 LEU 118 14.244 -9.197 -6.869 920 HG LEU 118 HG LEU 118 13.765 -9.805 -4.477 921 1HD1 LEU 118 HD11 LEU 118 12.475 -7.734 -3.954 922 2HD1 LEU 118 HD13 LEU 118 11.177 -8.310 -5.001 923 3HD1 LEU 118 HD12 LEU 118 11.591 -9.202 -3.537 924 1HD2 LEU 118 HD23 LEU 118 11.583 -10.270 -6.534 925 2HD2 LEU 118 HD22 LEU 118 13.005 -11.277 -6.261 926 3HD2 LEU 118 HD21 LEU 118 11.742 -11.184 -5.034 927 H ALA 119 HN ALA 119 16.820 -8.424 -5.123 928 HA ALA 119 HA ALA 119 18.306 -6.732 -6.962 929 1HB ALA 119 HB2 ALA 119 19.257 -7.691 -4.842 930 2HB ALA 119 HB1 ALA 119 19.212 -9.284 -5.597 931 3HB ALA 119 HB3 ALA 119 20.244 -8.020 -6.267 932 H GLY 120 HN GLY 120 16.877 -9.934 -7.086 933 1HA GLY 120 HA2 GLY 120 18.276 -10.771 -9.495 934 2HA GLY 120 HA1 GLY 120 16.860 -11.558 -8.797 935 H SER 121 HN SER 121 17.810 -10.138 -11.541 936 HA SER 121 HA SER 121 15.638 -8.295 -12.081 937 1HB SER 121 HB2 SER 121 16.418 -8.891 -14.541 938 2HB SER 121 HB1 SER 121 17.439 -7.910 -13.495 939 HG SER 121 HG SER 121 18.685 -9.554 -14.333 940 H PHE 122 HN PHE 122 13.697 -8.699 -13.164 941 HA PHE 122 HA PHE 122 13.120 -11.437 -14.122 942 1HB PHE 122 HB2 PHE 122 11.607 -10.081 -11.873 943 2HB PHE 122 HB1 PHE 122 10.985 -11.468 -12.768 944 HD1 PHE 122 HD1 PHE 122 12.650 -13.516 -12.972 945 HD2 PHE 122 HD2 PHE 122 12.891 -10.463 -9.960 946 HE1 PHE 122 HE1 PHE 122 13.972 -15.041 -11.531 947 HE2 PHE 122 HE2 PHE 122 14.214 -11.988 -8.520 948 HZ PHE 122 HZ PHE 122 14.754 -14.278 -9.305 949 H GLU 123 HN GLU 123 12.133 -11.172 -16.055 950 HA GLU 123 HA GLU 123 10.769 -8.599 -16.634 951 1HB GLU 123 HB2 GLU 123 12.539 -9.728 -18.169 952 2HB GLU 123 HB1 GLU 123 11.227 -10.817 -18.622 953 1HG GLU 123 HG2 GLU 123 9.861 -8.954 -19.366 954 2HG GLU 123 HG1 GLU 123 11.050 -7.795 -18.770 955 H GLY 124 HN GLY 124 8.603 -8.551 -17.407 956 1HA GLY 124 HA2 GLY 124 7.060 -11.076 -17.409 957 2HA GLY 124 HA1 GLY 124 6.584 -9.859 -16.224 958 H ASP 125 HN ASP 125 4.915 -8.635 -16.915 959 HA ASP 125 HA ASP 125 4.920 -7.622 -19.702 960 1HB ASP 125 HB2 ASP 125 2.643 -9.187 -18.453 961 2HB ASP 125 HB1 ASP 125 2.491 -8.235 -19.930 962 H THR 126 HN THR 126 3.598 -7.549 -16.430 963 HA THR 126 HA THR 126 2.369 -4.896 -16.923 964 HB THR 126 HB THR 126 2.442 -6.280 -14.251 965 HG1 THR 126 HG1 THR 126 0.275 -7.059 -15.269 966 1HG2 THR 126 HG21 THR 126 1.492 -3.944 -14.657 967 2HG2 THR 126 HG23 THR 126 0.229 -4.730 -15.604 968 3HG2 THR 126 HG22 THR 126 0.403 -5.098 -13.888 969 H LYS 127 HN LYS 127 3.085 -3.010 -15.863 970 HA LYS 127 HA LYS 127 5.705 -3.243 -14.434 971 1HB LYS 127 HB2 LYS 127 4.827 -1.123 -16.420 972 2HB LYS 127 HB1 LYS 127 6.310 -1.049 -15.467 973 1HG LYS 127 HG2 LYS 127 6.752 -3.433 -16.475 974 2HG LYS 127 HG1 LYS 127 5.594 -2.922 -17.704 975 1HD LYS 127 HD2 LYS 127 6.961 -1.190 -18.466 976 2HD LYS 127 HD1 LYS 127 7.853 -1.092 -16.948 977 1HE LYS 127 HE2 LYS 127 8.870 -3.306 -17.424 978 2HE LYS 127 HE1 LYS 127 8.019 -3.348 -18.968 979 1HZ LYS 127 HZ1 LYS 127 9.258 -0.911 -18.922 980 2HZ LYS 127 HZ3 LYS 127 10.410 -1.964 -18.258 981 3HZ LYS 127 HZ2 LYS 127 9.760 -2.278 -19.796 982 H MET 128 HN MET 128 6.118 -1.053 -13.210 983 HA MET 128 HA MET 128 3.652 -0.491 -11.650 984 1HB MET 128 HB2 MET 128 5.816 -1.198 -10.520 985 2HB MET 128 HB1 MET 128 6.488 0.357 -11.012 986 1HG MET 128 HG2 MET 128 5.646 0.625 -8.770 987 2HG MET 128 HG1 MET 128 4.534 1.465 -9.850 988 1HE MET 128 HE3 MET 128 3.422 1.163 -7.278 989 2HE MET 128 HE2 MET 128 2.346 1.504 -8.630 990 3HE MET 128 HE1 MET 128 1.897 0.283 -7.442 991 H ILE 129 HN ILE 129 3.021 1.702 -11.212 992 HA ILE 129 HA ILE 129 3.424 3.510 -13.453 993 HB ILE 129 HB ILE 129 2.002 5.063 -12.090 994 1HG1 ILE 129 HG12 ILE 129 1.896 2.770 -10.111 995 2HG1 ILE 129 HG11 ILE 129 2.920 4.188 -9.884 996 1HG2 ILE 129 HG23 ILE 129 1.180 3.050 -13.547 997 2HG2 ILE 129 HG22 ILE 129 0.768 2.321 -11.995 998 3HG2 ILE 129 HG21 ILE 129 0.033 3.851 -12.473 999 1HD1 ILE 129 HD12 ILE 129 -0.064 4.370 -10.361 1000 2HD1 ILE 129 HD11 ILE 129 0.650 4.310 -8.750 1001 3HD1 ILE 129 HD13 ILE 129 1.020 5.656 -9.828 1002 HA PRO 130 HA PRO 130 6.732 5.997 -11.820 1003 1HB PRO 130 HB2 PRO 130 5.944 8.480 -12.848 1004 2HB PRO 130 HB1 PRO 130 6.874 7.248 -13.711 1005 1HG PRO 130 HG2 PRO 130 4.193 8.117 -14.216 1006 2HG PRO 130 HG1 PRO 130 5.137 6.906 -15.093 1007 1HD PRO 130 HD2 PRO 130 3.004 6.510 -13.135 1008 2HD PRO 130 HD1 PRO 130 3.726 5.343 -14.255 1009 H LEU 131 HN LEU 131 6.331 6.023 -9.558 1010 HA LEU 131 HA LEU 131 4.354 7.840 -8.401 1011 1HB LEU 131 HB2 LEU 131 6.568 6.195 -7.137 1012 2HB LEU 131 HB1 LEU 131 5.354 7.101 -6.233 1013 HG LEU 131 HG LEU 131 4.558 5.071 -8.318 1014 1HD1 LEU 131 HD12 LEU 131 5.123 4.608 -5.373 1015 2HD1 LEU 131 HD11 LEU 131 4.292 3.461 -6.425 1016 3HD1 LEU 131 HD13 LEU 131 5.978 3.877 -6.732 1017 1HD2 LEU 131 HD21 LEU 131 2.882 6.710 -7.473 1018 2HD2 LEU 131 HD23 LEU 131 2.476 5.054 -7.020 1019 3HD2 LEU 131 HD22 LEU 131 3.187 6.145 -5.830 1020 H ASN 132 HN ASN 132 4.899 9.672 -7.050 1021 HA ASN 132 HA ASN 132 7.243 11.151 -8.054 1022 1HB ASN 132 HB2 ASN 132 4.835 12.081 -7.628 1023 2HB ASN 132 HB1 ASN 132 5.353 12.168 -5.944 1024 1HD2 ASN 132 HD22 ASN 132 6.795 15.308 -6.640 1025 2HD2 ASN 132 HD21 ASN 132 5.737 14.402 -5.670 1026 H TRP 133 HN TRP 133 8.923 9.888 -7.030 1027 HA TRP 133 HA TRP 133 9.008 9.497 -4.164 1028 1HB TRP 133 HB2 TRP 133 11.211 9.420 -6.247 1029 2HB TRP 133 HB1 TRP 133 11.389 8.884 -4.577 1030 HD1 TRP 133 HD1 TRP 133 10.039 7.833 -7.921 1031 HE1 TRP 133 HE1 TRP 133 9.070 5.449 -7.755 1032 HE3 TRP 133 HE3 TRP 133 10.127 7.196 -2.855 1033 HZ2 TRP 133 HZ2 TRP 133 8.418 3.527 -5.739 1034 HZ3 TRP 133 HZ3 TRP 133 9.327 5.082 -1.839 1035 HH2 TRP 133 HH2 TRP 133 8.473 3.249 -3.273 1036 H ASP 134 HN ASP 134 9.711 12.167 -6.228 1037 HA ASP 134 HA ASP 134 11.644 13.475 -4.499 1038 1HB ASP 134 HB2 ASP 134 11.235 13.903 -7.005 1039 2HB ASP 134 HB1 ASP 134 9.850 14.866 -6.490 1040 H ASP 135 HN ASP 135 8.646 12.659 -3.716 1041 HA ASP 135 HA ASP 135 8.208 15.149 -2.126 1042 1HB ASP 135 HB2 ASP 135 6.613 14.808 -4.146 1043 2HB ASP 135 HB1 ASP 135 5.913 13.504 -3.187 1044 H PHE 136 HN PHE 136 9.469 12.530 -1.495 1045 HA PHE 136 HA PHE 136 7.740 11.851 0.833 1046 1HB PHE 136 HB2 PHE 136 8.873 9.946 -1.215 1047 2HB PHE 136 HB1 PHE 136 8.508 9.410 0.426 1048 HD1 PHE 136 HD1 PHE 136 6.142 9.879 1.340 1049 HD2 PHE 136 HD2 PHE 136 7.161 10.110 -2.826 1050 HE1 PHE 136 HE1 PHE 136 3.744 9.675 0.743 1051 HE2 PHE 136 HE2 PHE 136 4.762 9.906 -3.424 1052 HZ PHE 136 HZ PHE 136 3.054 9.689 -1.639 1053 H THR 137 HN THR 137 9.178 10.210 2.262 1054 HA THR 137 HA THR 137 12.042 10.947 2.185 1055 HB THR 137 HB THR 137 10.457 11.374 4.723 1056 HG1 THR 137 HG1 THR 137 9.856 12.765 2.871 1057 1HG2 THR 137 HG23 THR 137 13.197 12.213 3.742 1058 2HG2 THR 137 HG22 THR 137 12.469 12.792 5.241 1059 3HG2 THR 137 HG21 THR 137 12.835 11.078 5.042 1060 H LYS 138 HN LYS 138 13.186 9.134 2.628 1061 HA LYS 138 HA LYS 138 11.835 6.738 3.611 1062 1HB LYS 138 HB2 LYS 138 13.750 6.854 1.882 1063 2HB LYS 138 HB1 LYS 138 14.818 7.064 3.270 1064 1HG LYS 138 HG2 LYS 138 14.154 4.953 4.207 1065 2HG LYS 138 HG1 LYS 138 12.847 4.778 3.035 1066 1HD LYS 138 HD2 LYS 138 14.620 3.393 2.234 1067 2HD LYS 138 HD1 LYS 138 14.649 4.839 1.223 1068 1HE LYS 138 HE2 LYS 138 16.516 5.744 2.389 1069 2HE LYS 138 HE1 LYS 138 16.343 4.593 3.714 1070 1HZ LYS 138 HZ3 LYS 138 16.624 3.245 1.235 1071 2HZ LYS 138 HZ2 LYS 138 17.920 4.318 1.472 1072 3HZ LYS 138 HZ1 LYS 138 17.578 3.125 2.632 1073 H VAL 139 HN VAL 139 11.683 6.150 5.717 1074 HA VAL 139 HA VAL 139 13.275 7.666 7.723 1075 HB VAL 139 HB VAL 139 11.651 6.671 9.355 1076 1HG1 VAL 139 HG11 VAL 139 11.327 8.872 8.034 1077 2HG1 VAL 139 HG13 VAL 139 10.151 7.968 7.080 1078 3HG1 VAL 139 HG12 VAL 139 9.907 8.174 8.814 1079 1HG2 VAL 139 HG22 VAL 139 10.424 5.573 6.805 1080 2HG2 VAL 139 HG21 VAL 139 11.088 4.630 8.140 1081 3HG2 VAL 139 HG23 VAL 139 9.621 5.580 8.375 1082 H SER 140 HN SER 140 12.613 4.384 6.585 1083 HA SER 140 HA SER 140 15.154 3.449 7.674 1084 1HB SER 140 HB2 SER 140 13.657 3.332 9.670 1085 2HB SER 140 HB1 SER 140 12.582 2.268 8.768 1086 HG SER 140 HG SER 140 14.842 1.680 10.087 1087 H SER 141 HN SER 141 15.056 0.831 7.399 1088 HA SER 141 HA SER 141 13.381 -0.088 5.201 1089 1HB SER 141 HB2 SER 141 15.166 -0.384 3.559 1090 2HB SER 141 HB1 SER 141 15.055 1.318 3.999 1091 HG SER 141 HG SER 141 16.791 -0.489 5.315 1092 H ARG 142 HN ARG 142 13.221 -2.284 5.361 1093 HA ARG 142 HA ARG 142 15.039 -3.659 7.261 1094 1HB ARG 142 HB2 ARG 142 12.446 -3.804 7.309 1095 2HB ARG 142 HB1 ARG 142 12.629 -4.895 5.935 1096 1HG ARG 142 HG2 ARG 142 14.380 -6.109 7.442 1097 2HG ARG 142 HG1 ARG 142 13.590 -5.251 8.765 1098 1HD ARG 142 HD2 ARG 142 11.381 -6.161 7.813 1099 2HD ARG 142 HD1 ARG 142 12.381 -7.255 6.856 1100 HE ARG 142 HE ARG 142 12.723 -8.512 8.810 1101 1HH1 ARG 142 HH21 ARG 142 11.846 -5.247 9.613 1102 2HH1 ARG 142 HH22 ARG 142 11.804 -5.551 11.318 1103 1HH2 ARG 142 HH11 ARG 142 12.666 -8.894 11.024 1104 2HH2 ARG 142 HH12 ARG 142 12.266 -7.606 12.112 1105 H THR 143 HN THR 143 16.888 -4.200 6.125 1106 HA THR 143 HA THR 143 16.730 -5.264 3.395 1107 HB THR 143 HB THR 143 19.164 -5.286 5.186 1108 HG1 THR 143 HG1 THR 143 18.333 -3.205 5.232 1109 1HG2 THR 143 HG22 THR 143 19.288 -6.468 3.018 1110 2HG2 THR 143 HG21 THR 143 18.789 -4.991 2.192 1111 3HG2 THR 143 HG23 THR 143 20.336 -5.049 3.038 1112 H VAL 144 HN VAL 144 17.245 -7.424 2.806 1113 HA VAL 144 HA VAL 144 17.750 -9.416 4.907 1114 HB VAL 144 HB VAL 144 15.296 -9.157 4.996 1115 1HG1 VAL 144 HG12 VAL 144 15.044 -8.363 2.635 1116 2HG1 VAL 144 HG11 VAL 144 15.331 -10.015 2.089 1117 3HG1 VAL 144 HG13 VAL 144 13.908 -9.643 3.061 1118 1HG2 VAL 144 HG21 VAL 144 16.375 -11.409 5.298 1119 2HG2 VAL 144 HG23 VAL 144 14.714 -11.496 4.712 1120 3HG2 VAL 144 HG22 VAL 144 16.057 -11.738 3.595 1121 H GLU 145 HN GLU 145 19.002 -11.023 4.061 1122 HA GLU 145 HA GLU 145 19.249 -11.149 1.086 1123 1HB GLU 145 HB2 GLU 145 21.186 -11.937 3.282 1124 2HB GLU 145 HB1 GLU 145 21.470 -12.215 1.563 1125 1HG GLU 145 HG2 GLU 145 21.095 -9.713 1.231 1126 2HG GLU 145 HG1 GLU 145 21.181 -9.561 2.986 1127 H ASP 146 HN ASP 146 18.308 -12.897 0.170 1128 HA ASP 146 HA ASP 146 17.438 -15.163 1.804 1129 1HB ASP 146 HB2 ASP 146 16.282 -14.099 -0.299 1130 2HB ASP 146 HB1 ASP 146 17.378 -15.145 -1.203 1131 H THR 147 HN THR 147 17.842 -17.328 0.096 1132 HA THR 147 HA THR 147 20.589 -18.022 0.710 1133 HB THR 147 HB THR 147 19.960 -20.090 -0.725 1134 HG1 THR 147 HG1 THR 147 17.596 -20.221 -0.825 1135 1HG2 THR 147 HG22 THR 147 18.452 -19.284 1.772 1136 2HG2 THR 147 HG21 THR 147 18.438 -20.920 1.113 1137 3HG2 THR 147 HG23 THR 147 19.950 -20.210 1.680 1138 H ASN 148 HN ASN 148 18.819 -17.292 -2.298 1139 HA ASN 148 HA ASN 148 21.392 -17.359 -3.785 1140 1HB ASN 148 HB2 ASN 148 19.372 -18.566 -4.687 1141 2HB ASN 148 HB1 ASN 148 18.588 -16.997 -4.877 1142 1HD2 ASN 148 HD22 ASN 148 21.026 -18.240 -7.769 1143 2HD2 ASN 148 HD21 ASN 148 20.346 -19.256 -6.592 1144 HA PRO 149 HA PRO 149 22.000 -12.948 -3.605 1145 1HB PRO 149 HB2 PRO 149 22.762 -12.866 -6.408 1146 2HB PRO 149 HB1 PRO 149 23.775 -12.658 -4.974 1147 1HG PRO 149 HG2 PRO 149 23.573 -14.940 -6.699 1148 2HG PRO 149 HG1 PRO 149 24.641 -14.698 -5.310 1149 1HD PRO 149 HD2 PRO 149 22.484 -16.485 -5.446 1150 2HD PRO 149 HD1 PRO 149 23.348 -15.995 -3.982 1151 H ALA 150 HN ALA 150 20.502 -14.201 -6.604 1152 HA ALA 150 HA ALA 150 19.150 -11.791 -7.319 1153 1HB ALA 150 HB3 ALA 150 18.640 -14.703 -7.933 1154 2HB ALA 150 HB2 ALA 150 17.584 -13.432 -8.548 1155 3HB ALA 150 HB1 ALA 150 19.288 -13.457 -8.999 1156 H LEU 151 HN LEU 151 18.353 -14.352 -5.050 1157 HA LEU 151 HA LEU 151 15.585 -13.486 -4.695 1158 1HB LEU 151 HB2 LEU 151 17.396 -15.445 -3.290 1159 2HB LEU 151 HB1 LEU 151 15.826 -15.017 -2.607 1160 HG LEU 151 HG LEU 151 16.170 -15.965 -5.460 1161 1HD1 LEU 151 HD12 LEU 151 16.901 -17.655 -3.693 1162 2HD1 LEU 151 HD11 LEU 151 15.237 -17.627 -3.110 1163 3HD1 LEU 151 HD13 LEU 151 15.587 -18.175 -4.749 1164 1HD2 LEU 151 HD22 LEU 151 13.822 -15.584 -3.584 1165 2HD2 LEU 151 HD21 LEU 151 14.109 -14.779 -5.127 1166 3HD2 LEU 151 HD23 LEU 151 13.705 -16.495 -5.090 1167 H THR 152 HN THR 152 18.073 -11.684 -4.160 1168 HA THR 152 HA THR 152 17.667 -11.031 -1.305 1169 HB THR 152 HB THR 152 19.442 -9.673 -3.355 1170 HG1 THR 152 HG1 THR 152 20.678 -11.329 -3.114 1171 1HG2 THR 152 HG23 THR 152 19.124 -9.507 -0.367 1172 2HG2 THR 152 HG22 THR 152 20.669 -9.123 -1.125 1173 3HG2 THR 152 HG21 THR 152 19.228 -8.196 -1.543 1174 H HIS 153 HN HIS 153 16.714 -9.100 -0.595 1175 HA HIS 153 HA HIS 153 15.843 -7.059 -2.502 1176 1HB HIS 153 HB2 HIS 153 13.415 -7.326 -1.917 1177 2HB HIS 153 HB1 HIS 153 14.059 -8.668 -2.861 1178 HD1 HIS 153 HD1 HIS 153 14.995 -10.742 -1.249 1179 HD2 HIS 153 HD2 HIS 153 12.143 -8.175 0.380 1180 HE1 HIS 153 HE1 HIS 153 13.984 -11.957 0.729 1181 H THR 154 HN THR 154 14.504 -5.349 -1.273 1182 HA THR 154 HA THR 154 15.122 -5.323 1.638 1183 HB THR 154 HB THR 154 15.692 -2.960 -0.168 1184 HG1 THR 154 HG1 THR 154 17.031 -5.091 -0.207 1185 1HG2 THR 154 HG22 THR 154 15.205 -2.866 2.432 1186 2HG2 THR 154 HG21 THR 154 16.871 -3.431 2.543 1187 3HG2 THR 154 HG23 THR 154 16.510 -1.909 1.730 1188 H TYR 155 HN TYR 155 13.476 -4.428 2.828 1189 HA TYR 155 HA TYR 155 11.082 -3.516 1.347 1190 1HB TYR 155 HB2 TYR 155 11.547 -4.118 4.284 1191 2HB TYR 155 HB1 TYR 155 9.998 -3.622 3.602 1192 HD1 TYR 155 HD1 TYR 155 12.532 -6.304 3.720 1193 HD2 TYR 155 HD2 TYR 155 8.692 -5.119 2.205 1194 HE1 TYR 155 HE1 TYR 155 12.063 -8.652 3.072 1195 HE2 TYR 155 HE2 TYR 155 8.223 -7.466 1.557 1196 HH TYR 155 HH TYR 155 8.926 -9.577 1.664 1197 H GLU 156 HN GLU 156 11.700 -1.410 0.691 1198 HA GLU 156 HA GLU 156 12.759 0.525 2.598 1199 1HB GLU 156 HB2 GLU 156 11.598 0.878 -0.183 1200 2HB GLU 156 HB1 GLU 156 12.401 2.149 0.740 1201 1HG GLU 156 HG2 GLU 156 14.482 0.932 0.749 1202 2HG GLU 156 HG1 GLU 156 13.709 -0.497 0.062 1203 H VAL 157 HN VAL 157 11.576 1.777 3.959 1204 HA VAL 157 HA VAL 157 8.617 1.899 3.521 1205 HB VAL 157 HB VAL 157 10.123 2.185 6.139 1206 1HG1 VAL 157 HG12 VAL 157 7.205 2.062 5.363 1207 2HG1 VAL 157 HG11 VAL 157 7.747 1.698 7.001 1208 3HG1 VAL 157 HG13 VAL 157 8.029 3.297 6.313 1209 1HG2 VAL 157 HG22 VAL 157 8.932 -0.175 4.715 1210 2HG2 VAL 157 HG21 VAL 157 10.418 -0.077 5.660 1211 3HG2 VAL 157 HG23 VAL 157 8.854 -0.111 6.476 1212 H TRP 158 HN TRP 158 8.437 3.841 2.412 1213 HA TRP 158 HA TRP 158 9.865 6.224 3.455 1214 1HB TRP 158 HB2 TRP 158 8.146 5.821 0.987 1215 2HB TRP 158 HB1 TRP 158 8.947 7.334 1.414 1216 HD1 TRP 158 HD1 TRP 158 9.982 3.623 0.975 1217 HE1 TRP 158 HE1 TRP 158 12.287 3.571 -0.178 1218 HE3 TRP 158 HE3 TRP 158 10.880 8.634 0.573 1219 HZ2 TRP 158 HZ2 TRP 158 14.253 5.412 -1.142 1220 HZ3 TRP 158 HZ3 TRP 158 12.974 9.456 -0.465 1221 HH2 TRP 158 HH2 TRP 158 14.660 7.854 -1.323 1222 H GLN 159 HN GLN 159 8.549 8.259 3.694 1223 HA GLN 159 HA GLN 159 5.686 7.845 4.310 1224 1HB GLN 159 HB2 GLN 159 7.797 8.568 6.342 1225 2HB GLN 159 HB1 GLN 159 6.117 9.061 6.557 1226 1HG GLN 159 HG2 GLN 159 5.503 6.603 6.162 1227 2HG GLN 159 HG1 GLN 159 7.220 6.254 6.368 1228 1HE2 GLN 159 HE21 GLN 159 7.843 5.852 8.493 1229 2HE2 GLN 159 HE22 GLN 159 7.004 6.379 9.872 1230 H LYS 160 HN LYS 160 4.517 9.682 3.870 1231 HA LYS 160 HA LYS 160 5.768 11.874 2.502 1232 1HB LYS 160 HB2 LYS 160 3.330 11.054 2.325 1233 2HB LYS 160 HB1 LYS 160 3.037 11.992 3.790 1234 1HG LYS 160 HG2 LYS 160 3.677 14.036 2.720 1235 2HG LYS 160 HG1 LYS 160 4.330 13.176 1.324 1236 1HD LYS 160 HD2 LYS 160 2.176 12.560 0.552 1237 2HD LYS 160 HD1 LYS 160 1.423 12.936 2.103 1238 1HE LYS 160 HE2 LYS 160 1.725 15.294 1.775 1239 2HE LYS 160 HE1 LYS 160 2.769 15.029 0.379 1240 1HZ LYS 160 HZ3 LYS 160 0.058 13.918 0.329 1241 2HZ LYS 160 HZ2 LYS 160 0.247 15.589 0.086 1242 3HZ LYS 160 HZ1 LYS 160 1.017 14.485 -0.950 1243 H LYS 161 HN LYS 161 6.752 13.637 3.352 1244 HA LYS 161 HA LYS 161 5.889 14.700 5.971 1245 1HB LYS 161 HB2 LYS 161 7.788 12.925 6.230 1246 2HB LYS 161 HB1 LYS 161 8.826 14.182 5.556 1247 1HG LYS 161 HG2 LYS 161 6.977 14.806 7.848 1248 2HG LYS 161 HG1 LYS 161 8.547 14.059 8.146 1249 1HD LYS 161 HD2 LYS 161 9.467 15.963 6.610 1250 2HD LYS 161 HD1 LYS 161 7.938 16.763 6.976 1251 1HE LYS 161 HE2 LYS 161 9.478 17.521 8.637 1252 2HE LYS 161 HE1 LYS 161 8.455 16.330 9.439 1253 1HZ LYS 161 HZ3 LYS 161 11.084 15.698 8.219 1254 2HZ LYS 161 HZ2 LYS 161 10.866 16.053 9.866 1255 3HZ LYS 161 HZ1 LYS 161 10.132 14.680 9.185 1256 H ALA 162 HN ALA 162 5.333 16.665 5.039 1257 HA ALA 162 HA ALA 162 7.179 18.016 3.189 1258 1HB ALA 162 HB2 ALA 162 4.582 18.087 3.138 1259 2HB ALA 162 HB1 ALA 162 4.736 19.266 4.440 1260 3HB ALA 162 HB3 ALA 162 5.456 19.594 2.864 1261 1H9 TMQ 170 H91 TMQ 170 0.056 -10.097 -6.309 1262 2H9 TMQ 170 H92 TMQ 170 -0.945 -10.773 -5.016 1263 HN1 TMQ 170 H1N TMQ 170 0.764 -12.220 -6.749 1264 1H17 TMQ 170 HM1 TMQ 170 -1.299 -8.273 -3.031 1265 2H17 TMQ 170 HM2 TMQ 170 -0.540 -7.269 -4.274 1266 3H17 TMQ 170 HM3 TMQ 170 -1.224 -8.835 -4.700 1267 1H21 TMQ 170 HW11 TMQ 170 -2.312 -12.934 -0.409 1268 2H21 TMQ 170 HW12 TMQ 170 -0.863 -12.334 -1.231 1269 3H21 TMQ 170 HW13 TMQ 170 -2.410 -12.386 -2.090 1270 1H22 TMQ 170 HI1 TMQ 170 2.040 -16.602 -2.165 1271 2H22 TMQ 170 HI2 TMQ 170 1.190 -15.586 -0.990 1272 3H22 TMQ 170 HI3 TMQ 170 1.082 -17.350 -0.877 1273 1H23 TMQ 170 HW21 TMQ 170 2.495 -17.807 -6.139 1274 2H23 TMQ 170 HW22 TMQ 170 2.857 -16.075 -6.207 1275 3H23 TMQ 170 HW23 TMQ 170 1.239 -16.658 -6.628 1276 1HN2 TMQ 170 HN21 TMQ 170 5.332 -7.666 0.196 1277 2HN2 TMQ 170 HN22 TMQ 170 4.322 -6.334 0.652 1278 1HN5 TMQ 170 HN41 TMQ 170 0.283 -5.617 -1.205 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.431 -6.592 -2.413 1280 HN TMQ 170 H1 TMQ 170 4.621 -9.136 -1.406 1281 H7 TMQ 170 H7 TMQ 170 2.487 -11.665 -4.710 1282 H8 TMQ 170 H8 TMQ 170 4.086 -10.806 -3.060 1283 H12 TMQ 170 HP2 TMQ 170 -1.106 -12.200 -3.645 1284 H16 TMQ 170 HP6 TMQ 170 1.706 -14.362 -6.112 No H/Q in entry = 1284 Start of MODEL 20 1 1H THR 1 HT3 THR 1 -3.349 5.950 4.993 2 2H THR 1 HT2 THR 1 -3.211 7.050 3.706 3 3H THR 1 HT1 THR 1 -4.744 6.529 4.221 4 HA THR 1 HA THR 1 -4.416 4.361 3.398 5 HB THR 1 HB THR 1 -3.132 6.110 1.302 6 HG1 THR 1 HG1 THR 1 -5.406 6.680 0.877 7 1HG2 THR 1 HG23 THR 1 -5.098 3.816 1.325 8 2HG2 THR 1 HG22 THR 1 -4.829 4.817 -0.102 9 3HG2 THR 1 HG21 THR 1 -3.503 3.869 0.574 10 H ALA 2 HN ALA 2 -2.969 2.743 2.503 11 HA ALA 2 HA ALA 2 -0.064 3.331 2.863 12 1HB ALA 2 HB1 ALA 2 -1.641 1.006 3.988 13 2HB ALA 2 HB3 ALA 2 0.115 0.974 3.827 14 3HB ALA 2 HB2 ALA 2 -0.654 2.170 4.872 15 H PHE 3 HN PHE 3 1.090 2.697 1.108 16 HA PHE 3 HA PHE 3 -0.251 0.950 -0.894 17 1HB PHE 3 HB2 PHE 3 1.957 2.990 -1.020 18 2HB PHE 3 HB1 PHE 3 1.828 1.760 -2.277 19 HD1 PHE 3 HD2 PHE 3 -0.662 3.802 -0.335 20 HD2 PHE 3 HD1 PHE 3 0.788 2.571 -4.187 21 HE1 PHE 3 HE2 PHE 3 -2.471 5.097 -1.430 22 HE2 PHE 3 HE1 PHE 3 -1.022 3.866 -5.282 23 HZ PHE 3 HZ PHE 3 -2.650 5.129 -3.904 24 H LEU 4 HN LEU 4 0.722 -0.968 -1.599 25 HA LEU 4 HA LEU 4 3.386 -1.738 -0.629 26 1HB LEU 4 HB2 LEU 4 1.860 -2.265 1.289 27 2HB LEU 4 HB1 LEU 4 0.949 -3.334 0.222 28 HG LEU 4 HG LEU 4 3.339 -4.370 -0.251 29 1HD1 LEU 4 HD12 LEU 4 3.652 -2.775 2.266 30 2HD1 LEU 4 HD11 LEU 4 4.468 -4.335 2.145 31 3HD1 LEU 4 HD13 LEU 4 4.817 -3.064 0.973 32 1HD2 LEU 4 HD22 LEU 4 1.774 -4.847 2.307 33 2HD2 LEU 4 HD21 LEU 4 1.434 -5.578 0.738 34 3HD2 LEU 4 HD23 LEU 4 2.924 -5.978 1.593 35 H TRP 5 HN TRP 5 4.196 -2.487 -2.535 36 HA TRP 5 HA TRP 5 2.677 -4.607 -3.951 37 1HB TRP 5 HB2 TRP 5 3.070 -3.547 -6.137 38 2HB TRP 5 HB1 TRP 5 2.123 -2.485 -5.100 39 HD1 TRP 5 HD1 TRP 5 5.146 -2.541 -7.191 40 HE1 TRP 5 HE1 TRP 5 6.571 -0.427 -6.809 41 HE3 TRP 5 HE3 TRP 5 2.921 -0.717 -2.966 42 HZ2 TRP 5 HZ2 TRP 5 6.748 1.745 -4.962 43 HZ3 TRP 5 HZ3 TRP 5 3.743 1.373 -1.918 44 HH2 TRP 5 HH2 TRP 5 5.650 2.606 -2.911 45 H ALA 6 HN ALA 6 4.013 -6.169 -4.867 46 HA ALA 6 HA ALA 6 6.875 -6.000 -4.144 47 1HB ALA 6 HB2 ALA 6 5.568 -8.073 -3.671 48 2HB ALA 6 HB1 ALA 6 5.322 -8.282 -5.405 49 3HB ALA 6 HB3 ALA 6 6.948 -8.373 -4.727 50 H GLN 7 HN GLN 7 8.178 -5.023 -5.614 51 HA GLN 7 HA GLN 7 7.796 -5.715 -8.494 52 1HB GLN 7 HB2 GLN 7 8.437 -3.368 -9.063 53 2HB GLN 7 HB1 GLN 7 6.912 -3.461 -8.181 54 1HG GLN 7 HG2 GLN 7 7.876 -1.867 -6.861 55 2HG GLN 7 HG1 GLN 7 8.664 -3.252 -6.107 56 1HE2 GLN 7 HE22 GLN 7 11.876 -2.464 -7.388 57 2HE2 GLN 7 HE21 GLN 7 10.932 -3.610 -6.566 58 H ASP 8 HN ASP 8 9.793 -5.533 -9.758 59 HA ASP 8 HA ASP 8 12.210 -5.946 -8.052 60 1HB ASP 8 HB2 ASP 8 13.136 -7.074 -10.121 61 2HB ASP 8 HB1 ASP 8 11.750 -7.890 -9.402 62 H ARG 9 HN ARG 9 14.299 -5.245 -9.222 63 HA ARG 9 HA ARG 9 14.226 -2.437 -9.695 64 1HB ARG 9 HB2 ARG 9 16.572 -2.752 -10.518 65 2HB ARG 9 HB1 ARG 9 16.273 -3.524 -8.960 66 1HG ARG 9 HG2 ARG 9 16.040 -5.689 -9.994 67 2HG ARG 9 HG1 ARG 9 16.069 -4.979 -11.609 68 1HD ARG 9 HD2 ARG 9 18.375 -4.272 -11.314 69 2HD ARG 9 HD1 ARG 9 18.361 -4.807 -9.633 70 HE ARG 9 HE ARG 9 17.692 -7.074 -11.132 71 1HH1 ARG 9 HH11 ARG 9 20.326 -4.814 -10.960 72 2HH1 ARG 9 HH12 ARG 9 21.509 -5.972 -11.466 73 1HH2 ARG 9 HH21 ARG 9 19.238 -8.568 -11.788 74 2HH2 ARG 9 HH22 ARG 9 20.896 -8.087 -11.932 75 H ASP 10 HN ASP 10 13.563 -5.087 -11.798 76 HA ASP 10 HA ASP 10 14.186 -3.697 -14.286 77 1HB ASP 10 HB2 ASP 10 12.675 -6.225 -13.612 78 2HB ASP 10 HB1 ASP 10 12.756 -5.603 -15.260 79 H GLY 11 HN GLY 11 12.125 -2.701 -12.125 80 1HA GLY 11 HA2 GLY 11 10.161 -1.422 -12.189 81 2HA GLY 11 HA1 GLY 11 10.421 -1.288 -13.928 82 H LEU 12 HN LEU 12 9.993 -4.320 -12.160 83 HA LEU 12 HA LEU 12 7.486 -4.766 -13.730 84 1HB LEU 12 HB2 LEU 12 9.657 -6.288 -13.908 85 2HB LEU 12 HB1 LEU 12 8.987 -7.016 -12.448 86 HG LEU 12 HG LEU 12 6.759 -7.114 -13.776 87 1HD1 LEU 12 HD11 LEU 12 7.760 -5.634 -15.614 88 2HD1 LEU 12 HD13 LEU 12 8.677 -7.056 -16.115 89 3HD1 LEU 12 HD12 LEU 12 6.914 -7.084 -16.157 90 1HD2 LEU 12 HD22 LEU 12 8.513 -8.988 -13.204 91 2HD2 LEU 12 HD21 LEU 12 7.254 -9.316 -14.396 92 3HD2 LEU 12 HD23 LEU 12 8.885 -8.904 -14.926 93 H ILE 13 HN ILE 13 5.821 -6.095 -12.600 94 HA ILE 13 HA ILE 13 5.961 -5.896 -9.627 95 HB ILE 13 HB ILE 13 3.573 -5.128 -9.635 96 1HG1 ILE 13 HG12 ILE 13 4.085 -4.647 -12.588 97 2HG1 ILE 13 HG11 ILE 13 3.101 -5.970 -11.960 98 1HG2 ILE 13 HG21 ILE 13 5.693 -3.439 -10.981 99 2HG2 ILE 13 HG23 ILE 13 4.131 -2.786 -10.486 100 3HG2 ILE 13 HG22 ILE 13 5.234 -3.444 -9.278 101 1HD1 ILE 13 HD11 ILE 13 2.498 -3.182 -11.046 102 2HD1 ILE 13 HD13 ILE 13 1.977 -3.673 -12.658 103 3HD1 ILE 13 HD12 ILE 13 1.409 -4.555 -11.240 104 H GLY 14 HN GLY 14 4.624 -7.401 -12.509 105 1HA GLY 14 HA2 GLY 14 4.317 -9.939 -11.129 106 2HA GLY 14 HA1 GLY 14 2.759 -9.196 -11.499 107 H LYS 15 HN LYS 15 2.689 -11.297 -12.839 108 HA LYS 15 HA LYS 15 3.081 -10.613 -15.622 109 1HB LYS 15 HB2 LYS 15 5.411 -11.308 -14.877 110 2HB LYS 15 HB1 LYS 15 4.754 -12.921 -14.600 111 1HG LYS 15 HG2 LYS 15 3.926 -12.883 -16.997 112 2HG LYS 15 HG1 LYS 15 4.871 -11.410 -17.221 113 1HD LYS 15 HD2 LYS 15 6.375 -13.066 -17.911 114 2HD LYS 15 HD1 LYS 15 6.834 -12.825 -16.224 115 1HE LYS 15 HE2 LYS 15 6.669 -15.199 -16.567 116 2HE LYS 15 HE1 LYS 15 5.255 -14.717 -15.631 117 1HZ LYS 15 HZ3 LYS 15 4.032 -14.563 -17.767 118 2HZ LYS 15 HZ2 LYS 15 5.382 -15.235 -18.549 119 3HZ LYS 15 HZ1 LYS 15 4.538 -16.136 -17.381 120 H ASP 16 HN ASP 16 1.241 -11.447 -16.460 121 HA ASP 16 HA ASP 16 -0.525 -12.925 -16.895 122 1HB ASP 16 HB2 ASP 16 1.792 -14.677 -16.252 123 2HB ASP 16 HB1 ASP 16 0.199 -15.432 -16.190 124 H GLY 17 HN GLY 17 -0.272 -11.626 -14.250 125 1HA GLY 17 HA2 GLY 17 -1.866 -11.665 -12.456 126 2HA GLY 17 HA1 GLY 17 -2.184 -13.364 -12.808 127 H HIS 18 HN HIS 18 -0.012 -14.735 -12.543 128 HA HIS 18 HA HIS 18 0.728 -14.487 -9.741 129 1HB HIS 18 HB2 HIS 18 2.191 -16.464 -10.243 130 2HB HIS 18 HB1 HIS 18 0.509 -16.705 -10.713 131 HD1 HIS 18 HD1 HIS 18 3.928 -16.067 -12.166 132 HD2 HIS 18 HD2 HIS 18 0.072 -16.920 -13.503 133 HE1 HIS 18 HE1 HIS 18 4.126 -16.595 -14.635 134 H LEU 19 HN LEU 19 3.080 -14.477 -9.074 135 HA LEU 19 HA LEU 19 4.435 -12.227 -10.343 136 1HB LEU 19 HB2 LEU 19 5.040 -14.010 -7.986 137 2HB LEU 19 HB1 LEU 19 6.234 -12.857 -8.585 138 HG LEU 19 HG LEU 19 3.401 -12.037 -7.925 139 1HD1 LEU 19 HD12 LEU 19 5.753 -12.498 -6.144 140 2HD1 LEU 19 HD11 LEU 19 4.778 -11.059 -5.846 141 3HD1 LEU 19 HD13 LEU 19 4.032 -12.655 -5.794 142 1HD2 LEU 19 HD21 LEU 19 5.993 -10.681 -8.594 143 2HD2 LEU 19 HD23 LEU 19 4.365 -10.321 -9.168 144 3HD2 LEU 19 HD22 LEU 19 4.849 -9.851 -7.540 145 HA PRO 20 HA PRO 20 7.191 -14.568 -12.944 146 1HB PRO 20 HB2 PRO 20 9.300 -12.739 -13.005 147 2HB PRO 20 HB1 PRO 20 7.868 -12.697 -14.042 148 1HG PRO 20 HG2 PRO 20 8.608 -10.875 -11.950 149 2HG PRO 20 HG1 PRO 20 7.216 -10.796 -13.040 150 1HD PRO 20 HD2 PRO 20 7.308 -11.627 -10.246 151 2HD PRO 20 HD1 PRO 20 5.902 -11.271 -11.262 152 H TRP 21 HN TRP 21 8.368 -13.342 -9.868 153 HA TRP 21 HA TRP 21 10.568 -15.362 -9.911 154 1HB TRP 21 HB2 TRP 21 11.478 -14.050 -7.974 155 2HB TRP 21 HB1 TRP 21 11.364 -13.108 -9.460 156 HD1 TRP 21 HD1 TRP 21 9.576 -13.622 -6.102 157 HE1 TRP 21 HE1 TRP 21 8.171 -11.521 -5.592 158 HE3 TRP 21 HE3 TRP 21 10.225 -11.047 -10.464 159 HZ2 TRP 21 HZ2 TRP 21 7.422 -9.072 -6.866 160 HZ3 TRP 21 HZ3 TRP 21 9.156 -8.835 -10.789 161 HH2 TRP 21 HH2 TRP 21 7.757 -7.844 -8.998 162 H HIS 22 HN HIS 22 10.976 -15.799 -7.261 163 HA HIS 22 HA HIS 22 8.358 -16.590 -6.089 164 1HB HIS 22 HB2 HIS 22 9.436 -18.493 -7.447 165 2HB HIS 22 HB1 HIS 22 10.679 -18.523 -6.196 166 HD1 HIS 22 HD1 HIS 22 6.854 -18.373 -6.165 167 HD2 HIS 22 HD2 HIS 22 9.991 -20.368 -4.277 168 HE1 HIS 22 HE1 HIS 22 5.795 -19.952 -4.491 169 H LEU 23 HN LEU 23 8.603 -15.143 -4.373 170 HA LEU 23 HA LEU 23 11.003 -15.565 -2.633 171 1HB LEU 23 HB2 LEU 23 10.475 -13.235 -3.768 172 2HB LEU 23 HB1 LEU 23 9.305 -13.096 -2.457 173 HG LEU 23 HG LEU 23 11.138 -13.598 -0.829 174 1HD1 LEU 23 HD13 LEU 23 12.705 -13.661 -3.397 175 2HD1 LEU 23 HD12 LEU 23 13.492 -13.166 -1.897 176 3HD1 LEU 23 HD11 LEU 23 12.773 -14.772 -2.029 177 1HD2 LEU 23 HD23 LEU 23 10.472 -11.225 -1.944 178 2HD2 LEU 23 HD22 LEU 23 11.715 -11.378 -0.702 179 3HD2 LEU 23 HD21 LEU 23 12.174 -11.293 -2.402 180 HA PRO 24 HA PRO 24 7.346 -17.542 -0.474 181 1HB PRO 24 HB2 PRO 24 9.437 -18.627 1.243 182 2HB PRO 24 HB1 PRO 24 8.281 -19.484 0.215 183 1HG PRO 24 HG2 PRO 24 11.061 -19.006 -0.263 184 2HG PRO 24 HG1 PRO 24 9.910 -19.893 -1.270 185 1HD PRO 24 HD2 PRO 24 11.096 -17.422 -1.886 186 2HD PRO 24 HD1 PRO 24 9.724 -18.165 -2.721 187 H ASP 25 HN ASP 25 10.244 -15.984 0.896 188 HA ASP 25 HA ASP 25 9.166 -15.440 3.484 189 1HB ASP 25 HB2 ASP 25 11.603 -15.214 2.654 190 2HB ASP 25 HB1 ASP 25 11.115 -13.624 2.066 191 H ASP 26 HN ASP 26 9.372 -13.333 0.596 192 HA ASP 26 HA ASP 26 7.896 -11.160 1.726 193 1HB ASP 26 HB2 ASP 26 9.290 -11.019 -0.348 194 2HB ASP 26 HB1 ASP 26 8.062 -11.960 -1.195 195 H LEU 27 HN LEU 27 6.888 -14.076 -0.006 196 HA LEU 27 HA LEU 27 4.148 -13.355 -0.398 197 1HB LEU 27 HB2 LEU 27 5.577 -16.003 -0.152 198 2HB LEU 27 HB1 LEU 27 3.830 -15.918 -0.378 199 HG LEU 27 HG LEU 27 5.847 -14.577 -2.202 200 1HD1 LEU 27 HD12 LEU 27 4.466 -17.255 -2.311 201 2HD1 LEU 27 HD11 LEU 27 4.950 -16.428 -3.792 202 3HD1 LEU 27 HD13 LEU 27 6.166 -16.878 -2.597 203 1HD2 LEU 27 HD22 LEU 27 2.866 -14.748 -2.052 204 2HD2 LEU 27 HD21 LEU 27 3.887 -13.408 -2.574 205 3HD2 LEU 27 HD23 LEU 27 3.607 -14.775 -3.652 206 H HIS 28 HN HIS 28 5.915 -14.387 2.414 207 HA HIS 28 HA HIS 28 3.493 -15.107 3.924 208 1HB HIS 28 HB2 HIS 28 6.437 -14.979 4.556 209 2HB HIS 28 HB1 HIS 28 5.248 -15.141 5.848 210 HD1 HIS 28 HD1 HIS 28 3.225 -17.031 4.579 211 HD2 HIS 28 HD2 HIS 28 7.344 -17.583 4.243 212 HE1 HIS 28 HE1 HIS 28 3.580 -19.486 4.070 213 H TYR 29 HN TYR 29 5.616 -12.351 3.495 214 HA TYR 29 HA TYR 29 4.823 -10.858 5.811 215 1HB TYR 29 HB2 TYR 29 6.775 -10.411 4.168 216 2HB TYR 29 HB1 TYR 29 5.567 -9.603 3.169 217 HD1 TYR 29 HD2 TYR 29 6.332 -9.768 6.846 218 HD2 TYR 29 HD1 TYR 29 5.555 -7.294 3.422 219 HE1 TYR 29 HE2 TYR 29 6.506 -7.744 8.269 220 HE2 TYR 29 HE1 TYR 29 5.729 -5.270 4.845 221 HH TYR 29 HH TYR 29 5.581 -5.329 8.147 222 H PHE 30 HN PHE 30 3.299 -11.447 2.730 223 HA PHE 30 HA PHE 30 1.489 -9.225 2.705 224 1HB PHE 30 HB2 PHE 30 1.954 -10.781 0.770 225 2HB PHE 30 HB1 PHE 30 0.976 -11.997 1.592 226 HD1 PHE 30 HD2 PHE 30 0.782 -8.366 0.643 227 HD2 PHE 30 HD1 PHE 30 -1.283 -12.111 1.050 228 HE1 PHE 30 HE2 PHE 30 -1.279 -7.329 -0.267 229 HE2 PHE 30 HE1 PHE 30 -3.343 -11.074 0.139 230 HZ PHE 30 HZ PHE 30 -3.341 -8.683 -0.519 231 H ARG 31 HN ARG 31 1.155 -12.547 3.969 232 HA ARG 31 HA ARG 31 -1.526 -12.220 4.937 233 1HB ARG 31 HB2 ARG 31 0.026 -14.366 4.662 234 2HB ARG 31 HB1 ARG 31 0.391 -14.029 6.355 235 1HG ARG 31 HG2 ARG 31 -2.476 -13.972 5.518 236 2HG ARG 31 HG1 ARG 31 -1.694 -15.546 5.658 237 1HD ARG 31 HD2 ARG 31 -1.290 -13.581 7.875 238 2HD ARG 31 HD1 ARG 31 -2.852 -14.394 7.763 239 HE ARG 31 HE ARG 31 -0.488 -16.153 7.636 240 1HH1 ARG 31 HH11 ARG 31 -3.013 -14.713 9.540 241 2HH1 ARG 31 HH12 ARG 31 -2.905 -15.900 10.797 242 1HH2 ARG 31 HH21 ARG 31 -0.359 -17.688 9.275 243 2HH2 ARG 31 HH22 ARG 31 -1.410 -17.575 10.646 244 H ALA 32 HN ALA 32 1.631 -11.460 6.294 245 HA ALA 32 HA ALA 32 0.632 -10.942 8.979 246 1HB ALA 32 HB3 ALA 32 3.026 -11.536 8.412 247 2HB ALA 32 HB2 ALA 32 3.193 -9.922 7.720 248 3HB ALA 32 HB1 ALA 32 2.851 -10.114 9.441 249 H GLN 33 HN GLN 33 1.042 -9.088 6.032 250 HA GLN 33 HA GLN 33 0.335 -6.577 7.468 251 1HB GLN 33 HB2 GLN 33 1.277 -7.073 4.627 252 2HB GLN 33 HB1 GLN 33 0.884 -5.485 5.287 253 1HG GLN 33 HG2 GLN 33 2.907 -7.306 6.599 254 2HG GLN 33 HG1 GLN 33 3.360 -6.159 5.338 255 1HE2 GLN 33 HE22 GLN 33 2.307 -3.321 7.471 256 2HE2 GLN 33 HE21 GLN 33 1.973 -3.880 5.903 257 H THR 34 HN THR 34 -1.624 -8.706 7.079 258 HA THR 34 HA THR 34 -3.626 -7.144 5.528 259 HB THR 34 HB THR 34 -4.505 -9.389 4.662 260 HG1 THR 34 HG1 THR 34 -2.069 -10.517 4.666 261 1HG2 THR 34 HG21 THR 34 -1.864 -8.217 3.779 262 2HG2 THR 34 HG23 THR 34 -2.687 -9.482 2.867 263 3HG2 THR 34 HG22 THR 34 -3.465 -7.917 3.103 264 H VAL 35 HN VAL 35 -2.916 -9.646 7.921 265 HA VAL 35 HA VAL 35 -5.649 -9.974 8.812 266 HB VAL 35 HB VAL 35 -4.579 -11.048 10.811 267 1HG1 VAL 35 HG11 VAL 35 -5.017 -12.314 8.716 268 2HG1 VAL 35 HG13 VAL 35 -3.409 -11.879 8.137 269 3HG1 VAL 35 HG12 VAL 35 -3.586 -12.909 9.558 270 1HG2 VAL 35 HG23 VAL 35 -2.086 -10.043 9.416 271 2HG2 VAL 35 HG22 VAL 35 -2.592 -9.733 11.076 272 3HG2 VAL 35 HG21 VAL 35 -2.052 -11.344 10.607 273 H GLY 36 HN GLY 36 -6.808 -8.575 10.033 274 1HA GLY 36 HA2 GLY 36 -7.244 -7.025 11.777 275 2HA GLY 36 HA1 GLY 36 -5.511 -6.943 12.102 276 H LYS 37 HN LYS 37 -6.972 -6.476 8.923 277 HA LYS 37 HA LYS 37 -6.750 -3.552 9.088 278 1HB LYS 37 HB2 LYS 37 -4.810 -5.254 7.529 279 2HB LYS 37 HB1 LYS 37 -5.201 -3.617 7.000 280 1HG LYS 37 HG2 LYS 37 -4.685 -2.941 9.458 281 2HG LYS 37 HG1 LYS 37 -3.864 -4.500 9.549 282 1HD LYS 37 HD2 LYS 37 -2.596 -3.822 7.450 283 2HD LYS 37 HD1 LYS 37 -3.255 -2.201 7.679 284 1HE LYS 37 HE2 LYS 37 -1.590 -3.725 9.705 285 2HE LYS 37 HE1 LYS 37 -1.018 -2.391 8.703 286 1HZ LYS 37 HZ3 LYS 37 -3.062 -1.188 9.746 287 2HZ LYS 37 HZ2 LYS 37 -2.881 -2.353 10.970 288 3HZ LYS 37 HZ1 LYS 37 -1.602 -1.295 10.604 289 H ILE 38 HN ILE 38 -7.362 -2.580 6.895 290 HA ILE 38 HA ILE 38 -9.610 -4.153 5.791 291 HB ILE 38 HB ILE 38 -8.762 -1.309 5.157 292 1HG1 ILE 38 HG12 ILE 38 -10.884 -2.275 7.098 293 2HG1 ILE 38 HG11 ILE 38 -9.285 -1.714 7.587 294 1HG2 ILE 38 HG23 ILE 38 -11.247 -2.953 4.631 295 2HG2 ILE 38 HG22 ILE 38 -11.249 -1.191 4.553 296 3HG2 ILE 38 HG21 ILE 38 -10.228 -2.122 3.456 297 1HD1 ILE 38 HD11 ILE 38 -9.912 0.391 6.120 298 2HD1 ILE 38 HD13 ILE 38 -11.564 -0.154 6.416 299 3HD1 ILE 38 HD12 ILE 38 -10.513 0.253 7.773 300 H MET 39 HN MET 39 -8.899 -5.600 4.269 301 HA MET 39 HA MET 39 -6.682 -5.005 2.470 302 1HB MET 39 HB2 MET 39 -7.652 -7.325 3.375 303 2HB MET 39 HB1 MET 39 -8.606 -7.218 1.895 304 1HG MET 39 HG2 MET 39 -5.675 -6.653 1.715 305 2HG MET 39 HG1 MET 39 -6.186 -8.332 1.893 306 1HE MET 39 HE2 MET 39 -7.714 -9.508 0.642 307 2HE MET 39 HE1 MET 39 -9.050 -8.450 0.195 308 3HE MET 39 HE3 MET 39 -8.122 -9.287 -1.058 309 H VAL 40 HN VAL 40 -6.886 -3.779 0.671 310 HA VAL 40 HA VAL 40 -9.526 -3.766 -0.739 311 HB VAL 40 HB VAL 40 -7.636 -1.409 -0.470 312 1HG1 VAL 40 HG12 VAL 40 -9.144 -1.597 -2.514 313 2HG1 VAL 40 HG11 VAL 40 -10.514 -1.489 -1.407 314 3HG1 VAL 40 HG13 VAL 40 -9.376 -0.147 -1.535 315 1HG2 VAL 40 HG22 VAL 40 -10.061 -2.269 1.095 316 2HG2 VAL 40 HG21 VAL 40 -8.531 -1.621 1.689 317 3HG2 VAL 40 HG23 VAL 40 -9.696 -0.554 0.904 318 H VAL 41 HN VAL 41 -9.314 -4.520 -2.779 319 HA VAL 41 HA VAL 41 -6.761 -4.004 -4.237 320 HB VAL 41 HB VAL 41 -6.934 -6.320 -5.190 321 1HG1 VAL 41 HG12 VAL 41 -6.479 -5.771 -2.276 322 2HG1 VAL 41 HG11 VAL 41 -6.394 -7.434 -2.855 323 3HG1 VAL 41 HG13 VAL 41 -5.313 -6.211 -3.523 324 1HG2 VAL 41 HG22 VAL 41 -9.438 -6.432 -4.491 325 2HG2 VAL 41 HG21 VAL 41 -8.467 -7.896 -4.328 326 3HG2 VAL 41 HG23 VAL 41 -8.820 -6.909 -2.909 327 H GLY 42 HN GLY 42 -7.296 -4.998 -6.662 328 1HA GLY 42 HA2 GLY 42 -9.730 -3.490 -7.494 329 2HA GLY 42 HA1 GLY 42 -8.356 -3.852 -8.540 330 H ARG 43 HN ARG 43 -10.298 -4.615 -9.908 331 HA ARG 43 HA ARG 43 -11.553 -7.134 -9.137 332 1HB ARG 43 HB2 ARG 43 -12.512 -5.336 -10.715 333 2HB ARG 43 HB1 ARG 43 -11.428 -6.003 -11.935 334 1HG ARG 43 HG2 ARG 43 -12.451 -8.295 -11.313 335 2HG ARG 43 HG1 ARG 43 -13.727 -7.360 -10.530 336 1HD ARG 43 HD2 ARG 43 -14.479 -6.447 -12.541 337 2HD ARG 43 HD1 ARG 43 -12.930 -6.695 -13.349 338 HE ARG 43 HE ARG 43 -15.051 -8.718 -13.009 339 1HH1 ARG 43 HH11 ARG 43 -11.764 -7.975 -13.854 340 2HH1 ARG 43 HH12 ARG 43 -11.539 -9.439 -14.752 341 1HH2 ARG 43 HH21 ARG 43 -14.746 -10.614 -14.177 342 2HH2 ARG 43 HH22 ARG 43 -13.220 -10.924 -14.933 343 H ARG 44 HN ARG 44 -8.913 -6.146 -11.300 344 HA ARG 44 HA ARG 44 -8.419 -8.796 -12.341 345 1HB ARG 44 HB2 ARG 44 -7.652 -6.522 -13.305 346 2HB ARG 44 HB1 ARG 44 -6.342 -6.615 -12.128 347 1HG ARG 44 HG2 ARG 44 -5.387 -7.638 -14.004 348 2HG ARG 44 HG1 ARG 44 -5.992 -9.023 -13.096 349 1HD ARG 44 HD2 ARG 44 -8.063 -8.996 -14.457 350 2HD ARG 44 HD1 ARG 44 -7.422 -7.641 -15.386 351 HE ARG 44 HE ARG 44 -5.709 -10.034 -15.330 352 1HH1 ARG 44 HH11 ARG 44 -8.182 -8.212 -16.955 353 2HH1 ARG 44 HH12 ARG 44 -7.883 -8.952 -18.493 354 1HH2 ARG 44 HH21 ARG 44 -5.331 -10.986 -17.330 355 2HH2 ARG 44 HH22 ARG 44 -6.277 -10.514 -18.703 356 H THR 45 HN THR 45 -7.181 -6.951 -9.587 357 HA THR 45 HA THR 45 -5.131 -8.881 -8.889 358 HB THR 45 HB THR 45 -6.454 -6.867 -7.053 359 HG1 THR 45 HG1 THR 45 -4.336 -5.779 -7.864 360 1HG2 THR 45 HG21 THR 45 -4.966 -8.541 -5.999 361 2HG2 THR 45 HG23 THR 45 -3.675 -8.077 -7.107 362 3HG2 THR 45 HG22 THR 45 -4.276 -6.920 -5.919 363 H TYR 46 HN TYR 46 -8.540 -8.505 -8.186 364 HA TYR 46 HA TYR 46 -8.697 -10.210 -5.892 365 1HB TYR 46 HB2 TYR 46 -10.502 -8.651 -6.921 366 2HB TYR 46 HB1 TYR 46 -10.875 -10.020 -7.969 367 HD1 TYR 46 HD2 TYR 46 -10.070 -9.495 -4.334 368 HD2 TYR 46 HD1 TYR 46 -12.623 -11.363 -7.240 369 HE1 TYR 46 HE2 TYR 46 -11.385 -10.538 -2.508 370 HE2 TYR 46 HE1 TYR 46 -13.938 -12.406 -5.414 371 HH TYR 46 HH TYR 46 -13.066 -12.958 -2.606 372 H GLU 47 HN GLU 47 -9.114 -10.905 -9.373 373 HA GLU 47 HA GLU 47 -9.495 -13.747 -8.966 374 1HB GLU 47 HB2 GLU 47 -8.772 -12.107 -11.409 375 2HB GLU 47 HB1 GLU 47 -9.048 -13.848 -11.458 376 1HG GLU 47 HG2 GLU 47 -11.316 -13.642 -10.979 377 2HG GLU 47 HG1 GLU 47 -11.108 -12.086 -10.176 378 H SER 48 HN SER 48 -6.723 -11.657 -9.304 379 HA SER 48 HA SER 48 -4.782 -13.591 -10.116 380 1HB SER 48 HB2 SER 48 -4.425 -11.102 -10.046 381 2HB SER 48 HB1 SER 48 -4.335 -11.211 -8.291 382 HG SER 48 HG SER 48 -2.661 -12.895 -8.784 383 H PHE 49 HN PHE 49 -6.414 -13.082 -7.101 384 HA PHE 49 HA PHE 49 -4.510 -14.231 -5.307 385 1HB PHE 49 HB2 PHE 49 -7.521 -14.007 -5.266 386 2HB PHE 49 HB1 PHE 49 -6.642 -14.818 -3.969 387 HD1 PHE 49 HD2 PHE 49 -4.317 -13.353 -3.410 388 HD2 PHE 49 HD1 PHE 49 -8.115 -11.827 -4.712 389 HE1 PHE 49 HE2 PHE 49 -3.782 -11.155 -2.394 390 HE2 PHE 49 HE1 PHE 49 -7.580 -9.629 -3.697 391 HZ PHE 49 HZ PHE 49 -5.414 -9.293 -2.537 392 HA PRO 50 HA PRO 50 -4.807 -18.584 -6.174 393 1HB PRO 50 HB2 PRO 50 -4.520 -19.563 -3.566 394 2HB PRO 50 HB1 PRO 50 -3.202 -19.111 -4.657 395 1HG PRO 50 HG2 PRO 50 -4.023 -17.813 -2.240 396 2HG PRO 50 HG1 PRO 50 -2.691 -17.381 -3.320 397 1HD PRO 50 HD2 PRO 50 -5.327 -16.144 -3.066 398 2HD PRO 50 HD1 PRO 50 -3.879 -15.536 -3.885 399 H LYS 51 HN LYS 51 -6.397 -18.185 -2.985 400 HA LYS 51 HA LYS 51 -8.816 -19.514 -4.140 401 1HB LYS 51 HB2 LYS 51 -7.478 -21.061 -2.682 402 2HB LYS 51 HB1 LYS 51 -7.724 -19.941 -1.343 403 1HG LYS 51 HG2 LYS 51 -10.213 -20.167 -1.729 404 2HG LYS 51 HG1 LYS 51 -9.850 -21.461 -2.872 405 1HD LYS 51 HD2 LYS 51 -8.467 -22.491 -0.926 406 2HD LYS 51 HD1 LYS 51 -9.392 -21.399 0.105 407 1HE LYS 51 HE2 LYS 51 -11.455 -22.405 -0.492 408 2HE LYS 51 HE1 LYS 51 -10.746 -23.227 -1.881 409 1HZ LYS 51 HZ2 LYS 51 -9.343 -23.962 0.439 410 2HZ LYS 51 HZ1 LYS 51 -11.003 -24.181 0.722 411 3HZ LYS 51 HZ3 LYS 51 -10.261 -24.944 -0.599 412 H ARG 52 HN ARG 52 -10.198 -17.777 -4.247 413 HA ARG 52 HA ARG 52 -10.278 -15.810 -2.047 414 1HB ARG 52 HB2 ARG 52 -12.027 -14.716 -3.492 415 2HB ARG 52 HB1 ARG 52 -10.469 -14.918 -4.294 416 1HG ARG 52 HG2 ARG 52 -12.365 -17.184 -4.579 417 2HG ARG 52 HG1 ARG 52 -12.826 -15.692 -5.400 418 1HD ARG 52 HD2 ARG 52 -10.003 -16.649 -5.674 419 2HD ARG 52 HD1 ARG 52 -11.260 -17.468 -6.600 420 HE ARG 52 HE ARG 52 -10.193 -14.870 -7.192 421 1HH1 ARG 52 HH11 ARG 52 -13.168 -16.658 -7.065 422 2HH1 ARG 52 HH12 ARG 52 -13.936 -15.698 -8.285 423 1HH2 ARG 52 HH21 ARG 52 -11.199 -13.632 -8.776 424 2HH2 ARG 52 HH22 ARG 52 -12.826 -13.994 -9.248 425 HA PRO 53 HA PRO 53 -11.938 -14.249 -1.554 426 1HB PRO 53 HB2 PRO 53 -13.172 -13.739 0.903 427 2HB PRO 53 HB1 PRO 53 -13.886 -13.455 -0.692 428 1HG PRO 53 HG2 PRO 53 -14.655 -15.394 1.273 429 2HG PRO 53 HG1 PRO 53 -15.386 -15.083 -0.308 430 1HD PRO 53 HD2 PRO 53 -13.578 -17.240 0.493 431 2HD PRO 53 HD1 PRO 53 -14.585 -17.102 -0.958 432 H LEU 54 HN LEU 54 -11.232 -13.008 0.769 433 HA LEU 54 HA LEU 54 -9.130 -14.812 1.897 434 1HB LEU 54 HB2 LEU 54 -9.159 -11.812 1.473 435 2HB LEU 54 HB1 LEU 54 -7.906 -12.657 2.381 436 HG LEU 54 HG LEU 54 -8.647 -13.297 -0.488 437 1HD1 LEU 54 HD12 LEU 54 -6.659 -11.412 0.729 438 2HD1 LEU 54 HD11 LEU 54 -6.211 -12.281 -0.739 439 3HD1 LEU 54 HD13 LEU 54 -7.624 -11.226 -0.736 440 1HD2 LEU 54 HD23 LEU 54 -6.471 -14.217 1.406 441 2HD2 LEU 54 HD22 LEU 54 -7.665 -15.207 0.567 442 3HD2 LEU 54 HD21 LEU 54 -6.362 -14.440 -0.341 443 HA PRO 55 HA PRO 55 -11.874 -14.035 5.505 444 1HB PRO 55 HB2 PRO 55 -10.822 -16.354 6.778 445 2HB PRO 55 HB1 PRO 55 -12.400 -16.174 6.004 446 1HG PRO 55 HG2 PRO 55 -10.194 -17.725 5.114 447 2HG PRO 55 HG1 PRO 55 -11.746 -17.479 4.303 448 1HD PRO 55 HD2 PRO 55 -9.151 -16.338 3.659 449 2HD PRO 55 HD1 PRO 55 -10.648 -16.305 2.716 450 H GLU 56 HN GLU 56 -11.189 -14.155 7.973 451 HA GLU 56 HA GLU 56 -9.786 -13.327 9.656 452 1HB GLU 56 HB2 GLU 56 -7.518 -14.158 7.821 453 2HB GLU 56 HB1 GLU 56 -7.439 -13.916 9.565 454 1HG GLU 56 HG2 GLU 56 -9.380 -15.726 9.567 455 2HG GLU 56 HG1 GLU 56 -8.660 -16.169 8.019 456 H ARG 57 HN ARG 57 -10.557 -11.713 7.171 457 HA ARG 57 HA ARG 57 -9.300 -9.261 7.914 458 1HB ARG 57 HB2 ARG 57 -7.910 -8.886 5.881 459 2HB ARG 57 HB1 ARG 57 -7.293 -10.206 6.876 460 1HG ARG 57 HG2 ARG 57 -8.865 -11.669 5.316 461 2HG ARG 57 HG1 ARG 57 -8.644 -10.316 4.207 462 1HD ARG 57 HD2 ARG 57 -6.791 -11.548 3.615 463 2HD ARG 57 HD1 ARG 57 -6.089 -10.640 4.954 464 HE ARG 57 HE ARG 57 -7.165 -12.912 6.148 465 1HH1 ARG 57 HH11 ARG 57 -4.908 -12.252 3.591 466 2HH1 ARG 57 HH12 ARG 57 -3.999 -13.702 3.859 467 1HH2 ARG 57 HH21 ARG 57 -5.978 -14.790 6.485 468 2HH2 ARG 57 HH22 ARG 57 -4.603 -15.132 5.489 469 H THR 58 HN THR 58 -10.071 -7.470 6.580 470 HA THR 58 HA THR 58 -12.682 -8.036 5.392 471 HB THR 58 HB THR 58 -11.241 -5.382 5.327 472 HG1 THR 58 HG1 THR 58 -11.398 -6.591 7.458 473 1HG2 THR 58 HG21 THR 58 -14.149 -6.219 5.471 474 2HG2 THR 58 HG23 THR 58 -13.584 -4.549 5.548 475 3HG2 THR 58 HG22 THR 58 -13.330 -5.500 4.085 476 H ASN 59 HN ASN 59 -13.258 -7.558 3.190 477 HA ASN 59 HA ASN 59 -10.948 -7.335 1.306 478 1HB ASN 59 HB2 ASN 59 -13.236 -9.300 1.296 479 2HB ASN 59 HB1 ASN 59 -12.410 -8.868 -0.202 480 1HD2 ASN 59 HD22 ASN 59 -10.176 -10.763 2.700 481 2HD2 ASN 59 HD21 ASN 59 -11.421 -9.712 3.178 482 H VAL 60 HN VAL 60 -11.220 -5.445 0.235 483 HA VAL 60 HA VAL 60 -14.007 -4.616 -0.475 484 HB VAL 60 HB VAL 60 -11.581 -2.830 -0.115 485 1HG1 VAL 60 HG13 VAL 60 -14.509 -2.368 -0.685 486 2HG1 VAL 60 HG12 VAL 60 -13.513 -1.113 0.053 487 3HG1 VAL 60 HG11 VAL 60 -13.108 -1.732 -1.548 488 1HG2 VAL 60 HG22 VAL 60 -13.881 -3.495 1.747 489 2HG2 VAL 60 HG21 VAL 60 -12.163 -3.760 2.041 490 3HG2 VAL 60 HG23 VAL 60 -12.804 -2.118 1.980 491 H VAL 61 HN VAL 61 -14.232 -5.321 -2.570 492 HA VAL 61 HA VAL 61 -11.986 -5.102 -4.466 493 HB VAL 61 HB VAL 61 -14.837 -6.007 -4.970 494 1HG1 VAL 61 HG13 VAL 61 -12.235 -6.244 -6.496 495 2HG1 VAL 61 HG12 VAL 61 -13.635 -7.260 -6.842 496 3HG1 VAL 61 HG11 VAL 61 -13.746 -5.511 -7.039 497 1HG2 VAL 61 HG23 VAL 61 -12.375 -7.478 -4.015 498 2HG2 VAL 61 HG22 VAL 61 -13.996 -7.492 -3.317 499 3HG2 VAL 61 HG21 VAL 61 -13.686 -8.314 -4.846 500 H LEU 62 HN LEU 62 -11.677 -3.303 -5.670 501 HA LEU 62 HA LEU 62 -13.851 -1.289 -5.828 502 1HB LEU 62 HB2 LEU 62 -11.467 -0.684 -5.166 503 2HB LEU 62 HB1 LEU 62 -11.007 -1.027 -6.835 504 HG LEU 62 HG LEU 62 -12.868 0.602 -7.517 505 1HD1 LEU 62 HD12 LEU 62 -12.704 1.073 -4.541 506 2HD1 LEU 62 HD11 LEU 62 -13.225 2.349 -5.640 507 3HD1 LEU 62 HD13 LEU 62 -14.140 0.844 -5.539 508 1HD2 LEU 62 HD23 LEU 62 -10.398 1.095 -7.541 509 2HD2 LEU 62 HD22 LEU 62 -11.398 2.520 -7.265 510 3HD2 LEU 62 HD21 LEU 62 -10.563 1.754 -5.914 511 H THR 63 HN THR 63 -15.220 -1.666 -7.514 512 HA THR 63 HA THR 63 -14.004 -2.072 -10.207 513 HB THR 63 HB THR 63 -14.768 -4.275 -9.509 514 HG1 THR 63 HG1 THR 63 -16.433 -2.893 -11.319 515 1HG2 THR 63 HG22 THR 63 -17.323 -2.806 -8.827 516 2HG2 THR 63 HG21 THR 63 -17.231 -4.561 -8.970 517 3HG2 THR 63 HG23 THR 63 -16.286 -3.726 -7.736 518 H HIS 64 HN HIS 64 -15.313 -1.231 -11.939 519 HA HIS 64 HA HIS 64 -17.275 0.817 -11.015 520 1HB HIS 64 HB2 HIS 64 -15.201 1.449 -12.401 521 2HB HIS 64 HB1 HIS 64 -16.013 0.664 -13.756 522 HD1 HIS 64 HD1 HIS 64 -18.173 1.781 -14.677 523 HD2 HIS 64 HD2 HIS 64 -16.388 3.897 -11.559 524 HE1 HIS 64 HE1 HIS 64 -19.280 4.058 -14.630 525 H GLN 65 HN GLN 65 -16.941 -2.086 -12.888 526 HA GLN 65 HA GLN 65 -19.315 -1.782 -14.506 527 1HB GLN 65 HB2 GLN 65 -17.932 -4.324 -13.593 528 2HB GLN 65 HB1 GLN 65 -19.080 -4.188 -14.926 529 1HG GLN 65 HG2 GLN 65 -17.556 -2.666 -16.108 530 2HG GLN 65 HG1 GLN 65 -16.414 -2.752 -14.766 531 1HE2 GLN 65 HE22 GLN 65 -16.959 -6.287 -16.805 532 2HE2 GLN 65 HE21 GLN 65 -18.313 -5.344 -16.410 533 H GLU 66 HN GLU 66 -21.424 -2.198 -13.982 534 HA GLU 66 HA GLU 66 -22.023 -2.875 -11.165 535 1HB GLU 66 HB2 GLU 66 -23.139 -0.980 -12.554 536 2HB GLU 66 HB1 GLU 66 -24.073 -2.280 -13.294 537 1HG GLU 66 HG2 GLU 66 -24.934 -2.973 -11.138 538 2HG GLU 66 HG1 GLU 66 -23.877 -1.834 -10.304 539 H ASP 67 HN ASP 67 -20.981 -4.935 -12.998 540 HA ASP 67 HA ASP 67 -23.335 -6.786 -12.989 541 1HB ASP 67 HB2 ASP 67 -22.277 -6.083 -15.263 542 2HB ASP 67 HB1 ASP 67 -20.950 -7.146 -14.795 543 H TYR 68 HN TYR 68 -19.928 -6.320 -12.270 544 HA TYR 68 HA TYR 68 -19.338 -9.044 -11.545 545 1HB TYR 68 HB2 TYR 68 -17.686 -7.117 -11.998 546 2HB TYR 68 HB1 TYR 68 -18.010 -6.614 -10.338 547 HD1 TYR 68 HD1 TYR 68 -16.855 -9.489 -12.416 548 HD2 TYR 68 HD2 TYR 68 -17.001 -7.725 -8.503 549 HE1 TYR 68 HE1 TYR 68 -15.269 -11.203 -11.584 550 HE2 TYR 68 HE2 TYR 68 -15.414 -9.439 -7.671 551 HH TYR 68 HH TYR 68 -14.210 -11.226 -8.176 552 H GLN 69 HN GLN 69 -19.428 -10.045 -9.513 553 HA GLN 69 HA GLN 69 -20.472 -8.509 -7.208 554 1HB GLN 69 HB2 GLN 69 -21.932 -10.735 -8.614 555 2HB GLN 69 HB1 GLN 69 -22.150 -10.489 -6.881 556 1HG GLN 69 HG2 GLN 69 -22.828 -8.164 -7.271 557 2HG GLN 69 HG1 GLN 69 -22.560 -8.362 -9.004 558 1HE2 GLN 69 HE22 GLN 69 -25.949 -9.868 -7.296 559 2HE2 GLN 69 HE21 GLN 69 -24.711 -9.228 -6.327 560 H ALA 70 HN ALA 70 -18.725 -8.968 -5.904 561 HA ALA 70 HA ALA 70 -17.602 -11.689 -5.813 562 1HB ALA 70 HB1 ALA 70 -16.153 -9.648 -5.666 563 2HB ALA 70 HB3 ALA 70 -16.913 -9.268 -4.120 564 3HB ALA 70 HB2 ALA 70 -15.955 -10.738 -4.293 565 H GLN 71 HN GLN 71 -18.533 -13.203 -4.541 566 HA GLN 71 HA GLN 71 -20.434 -12.476 -2.449 567 1HB GLN 71 HB2 GLN 71 -19.303 -15.103 -3.434 568 2HB GLN 71 HB1 GLN 71 -20.397 -15.011 -2.053 569 1HG GLN 71 HG2 GLN 71 -21.143 -13.651 -4.626 570 2HG GLN 71 HG1 GLN 71 -21.388 -15.389 -4.456 571 1HE2 GLN 71 HE22 GLN 71 -23.616 -14.752 -1.524 572 2HE2 GLN 71 HE21 GLN 71 -22.164 -15.596 -1.764 573 H GLY 72 HN GLY 72 -20.025 -12.333 -0.281 574 1HA GLY 72 HA2 GLY 72 -18.872 -12.541 1.767 575 2HA GLY 72 HA1 GLY 72 -17.749 -13.647 0.974 576 H ALA 73 HN ALA 73 -18.500 -10.368 -0.116 577 HA ALA 73 HA ALA 73 -16.029 -9.253 0.992 578 1HB ALA 73 HB3 ALA 73 -16.313 -9.671 -2.000 579 2HB ALA 73 HB2 ALA 73 -15.040 -8.729 -1.223 580 3HB ALA 73 HB1 ALA 73 -15.141 -10.468 -0.952 581 H VAL 74 HN VAL 74 -15.959 -6.951 0.742 582 HA VAL 74 HA VAL 74 -18.596 -5.738 0.333 583 HB VAL 74 HB VAL 74 -15.941 -4.388 0.911 584 1HG1 VAL 74 HG11 VAL 74 -17.806 -2.940 0.083 585 2HG1 VAL 74 HG13 VAL 74 -18.794 -3.500 1.432 586 3HG1 VAL 74 HG12 VAL 74 -17.330 -2.566 1.740 587 1HG2 VAL 74 HG23 VAL 74 -18.056 -5.536 2.758 588 2HG2 VAL 74 HG22 VAL 74 -16.362 -6.014 2.654 589 3HG2 VAL 74 HG21 VAL 74 -16.792 -4.427 3.291 590 H VAL 75 HN VAL 75 -19.051 -5.849 -1.885 591 HA VAL 75 HA VAL 75 -17.103 -5.041 -3.897 592 HB VAL 75 HB VAL 75 -20.104 -5.367 -4.184 593 1HG1 VAL 75 HG11 VAL 75 -18.803 -4.178 -6.011 594 2HG1 VAL 75 HG13 VAL 75 -17.904 -5.677 -6.243 595 3HG1 VAL 75 HG12 VAL 75 -19.644 -5.639 -6.529 596 1HG2 VAL 75 HG23 VAL 75 -17.848 -7.378 -4.463 597 2HG2 VAL 75 HG22 VAL 75 -19.140 -7.413 -3.262 598 3HG2 VAL 75 HG21 VAL 75 -19.513 -7.670 -4.967 599 H VAL 76 HN VAL 76 -16.492 -2.897 -3.562 600 HA VAL 76 HA VAL 76 -18.609 -0.839 -3.280 601 HB VAL 76 HB VAL 76 -16.662 0.710 -2.958 602 1HG1 VAL 76 HG11 VAL 76 -17.755 -0.453 -1.048 603 2HG1 VAL 76 HG13 VAL 76 -16.601 -1.776 -1.219 604 3HG1 VAL 76 HG12 VAL 76 -16.040 -0.169 -0.758 605 1HG2 VAL 76 HG21 VAL 76 -15.186 -0.996 -4.350 606 2HG2 VAL 76 HG23 VAL 76 -14.457 -0.027 -3.070 607 3HG2 VAL 76 HG22 VAL 76 -14.895 -1.707 -2.762 608 H HIS 77 HN HIS 77 -18.195 1.216 -4.647 609 HA HIS 77 HA HIS 77 -17.075 0.624 -7.328 610 1HB HIS 77 HB2 HIS 77 -19.932 1.541 -6.876 611 2HB HIS 77 HB1 HIS 77 -19.140 1.402 -8.446 612 HD1 HIS 77 HD1 HIS 77 -18.922 -0.926 -9.464 613 HD2 HIS 77 HD2 HIS 77 -20.420 -1.005 -5.575 614 HE1 HIS 77 HE1 HIS 77 -19.705 -3.299 -9.045 615 H ASP 78 HN ASP 78 -16.394 2.416 -5.062 616 HA ASP 78 HA ASP 78 -15.910 4.826 -6.592 617 1HB ASP 78 HB2 ASP 78 -18.375 4.970 -5.750 618 2HB ASP 78 HB1 ASP 78 -17.648 5.267 -4.170 619 H VAL 79 HN VAL 79 -14.283 6.067 -5.612 620 HA VAL 79 HA VAL 79 -12.682 4.775 -3.605 621 HB VAL 79 HB VAL 79 -12.578 7.679 -4.476 622 1HG1 VAL 79 HG13 VAL 79 -11.271 6.762 -2.411 623 2HG1 VAL 79 HG12 VAL 79 -10.270 5.948 -3.613 624 3HG1 VAL 79 HG11 VAL 79 -10.393 7.707 -3.614 625 1HG2 VAL 79 HG22 VAL 79 -11.513 5.139 -5.715 626 2HG2 VAL 79 HG21 VAL 79 -12.416 6.441 -6.490 627 3HG2 VAL 79 HG23 VAL 79 -10.737 6.694 -6.012 628 H ALA 80 HN ALA 80 -15.129 7.311 -3.493 629 HA ALA 80 HA ALA 80 -14.616 8.170 -0.794 630 1HB ALA 80 HB3 ALA 80 -16.062 9.305 -2.622 631 2HB ALA 80 HB2 ALA 80 -17.340 8.211 -2.091 632 3HB ALA 80 HB1 ALA 80 -16.644 9.371 -0.959 633 H ALA 81 HN ALA 81 -16.517 5.554 -2.195 634 HA ALA 81 HA ALA 81 -17.958 4.862 0.203 635 1HB ALA 81 HB2 ALA 81 -18.523 4.112 -2.155 636 2HB ALA 81 HB1 ALA 81 -17.172 2.986 -2.041 637 3HB ALA 81 HB3 ALA 81 -18.545 2.829 -0.946 638 H VAL 82 HN VAL 82 -14.815 3.927 -1.120 639 HA VAL 82 HA VAL 82 -14.288 1.803 0.747 640 HB VAL 82 HB VAL 82 -12.278 3.588 -0.658 641 1HG1 VAL 82 HG11 VAL 82 -12.162 0.867 0.649 642 2HG1 VAL 82 HG13 VAL 82 -10.964 1.376 -0.541 643 3HG1 VAL 82 HG12 VAL 82 -11.148 2.274 0.966 644 1HG2 VAL 82 HG21 VAL 82 -14.006 2.536 -2.176 645 2HG2 VAL 82 HG23 VAL 82 -12.352 2.010 -2.491 646 3HG2 VAL 82 HG22 VAL 82 -13.458 0.960 -1.605 647 H PHE 83 HN PHE 83 -13.535 5.283 0.755 648 HA PHE 83 HA PHE 83 -12.070 5.232 3.241 649 1HB PHE 83 HB2 PHE 83 -13.419 7.416 1.650 650 2HB PHE 83 HB1 PHE 83 -12.662 7.746 3.209 651 HD1 PHE 83 HD2 PHE 83 -10.247 6.433 3.416 652 HD2 PHE 83 HD1 PHE 83 -12.081 7.866 -0.194 653 HE1 PHE 83 HE2 PHE 83 -8.025 6.516 2.320 654 HE2 PHE 83 HE1 PHE 83 -9.858 7.949 -1.290 655 HZ PHE 83 HZ PHE 83 -7.829 7.274 -0.033 656 H ALA 84 HN ALA 84 -15.471 5.473 2.410 657 HA ALA 84 HA ALA 84 -16.415 6.435 4.949 658 1HB ALA 84 HB1 ALA 84 -17.686 6.274 2.700 659 2HB ALA 84 HB3 ALA 84 -17.980 4.591 3.141 660 3HB ALA 84 HB2 ALA 84 -18.584 5.890 4.169 661 H TYR 85 HN TYR 85 -15.738 3.202 3.677 662 HA TYR 85 HA TYR 85 -16.862 1.768 5.919 663 1HB TYR 85 HB2 TYR 85 -16.353 0.795 3.632 664 2HB TYR 85 HB1 TYR 85 -14.648 0.827 4.080 665 HD1 TYR 85 HD1 TYR 85 -13.799 -0.578 5.929 666 HD2 TYR 85 HD2 TYR 85 -17.891 -0.784 4.636 667 HE1 TYR 85 HE1 TYR 85 -14.079 -2.716 7.153 668 HE2 TYR 85 HE2 TYR 85 -18.170 -2.922 5.860 669 HH TYR 85 HH TYR 85 -16.110 -4.865 6.658 670 H ALA 86 HN ALA 86 -13.694 3.147 5.207 671 HA ALA 86 HA ALA 86 -12.284 1.883 7.378 672 1HB ALA 86 HB3 ALA 86 -11.124 2.943 5.468 673 2HB ALA 86 HB2 ALA 86 -11.719 4.519 5.986 674 3HB ALA 86 HB1 ALA 86 -10.586 3.629 7.001 675 H LYS 87 HN LYS 87 -14.323 4.728 7.130 676 HA LYS 87 HA LYS 87 -13.558 5.974 9.601 677 1HB LYS 87 HB2 LYS 87 -16.099 6.070 7.959 678 2HB LYS 87 HB1 LYS 87 -15.875 7.028 9.424 679 1HG LYS 87 HG2 LYS 87 -13.820 8.018 8.429 680 2HG LYS 87 HG1 LYS 87 -14.131 7.116 6.945 681 1HD LYS 87 HD2 LYS 87 -16.315 8.253 6.717 682 2HD LYS 87 HD1 LYS 87 -15.983 9.172 8.185 683 1HE LYS 87 HE2 LYS 87 -13.969 10.136 7.116 684 2HE LYS 87 HE1 LYS 87 -14.334 9.241 5.641 685 1HZ LYS 87 HZ2 LYS 87 -16.493 10.394 5.574 686 2HZ LYS 87 HZ1 LYS 87 -16.019 11.329 6.911 687 3HZ LYS 87 HZ3 LYS 87 -15.175 11.459 5.444 688 H GLN 88 HN GLN 88 -16.036 3.558 8.783 689 HA GLN 88 HA GLN 88 -17.197 3.426 11.414 690 1HB GLN 88 HB2 GLN 88 -17.114 1.363 9.190 691 2HB GLN 88 HB1 GLN 88 -18.137 1.258 10.624 692 1HG GLN 88 HG2 GLN 88 -18.222 3.710 8.880 693 2HG GLN 88 HG1 GLN 88 -19.146 2.273 8.440 694 1HE2 GLN 88 HE22 GLN 88 -20.977 2.510 11.694 695 2HE2 GLN 88 HE21 GLN 88 -19.972 1.349 10.970 696 H HIS 89 HN HIS 89 -14.428 1.875 9.899 697 HA HIS 89 HA HIS 89 -13.885 0.473 12.488 698 1HB HIS 89 HB2 HIS 89 -13.420 -0.367 9.632 699 2HB HIS 89 HB1 HIS 89 -12.440 -1.042 10.934 700 HD1 HIS 89 HD1 HIS 89 -13.382 -3.219 11.671 701 HD2 HIS 89 HD2 HIS 89 -16.397 -0.530 10.642 702 HE1 HIS 89 HE1 HIS 89 -15.578 -4.408 12.098 703 HA PRO 90 HA PRO 90 -10.435 3.481 11.964 704 1HB PRO 90 HB2 PRO 90 -10.382 4.059 14.703 705 2HB PRO 90 HB1 PRO 90 -11.197 5.014 13.457 706 1HG PRO 90 HG2 PRO 90 -12.378 3.468 15.556 707 2HG PRO 90 HG1 PRO 90 -13.189 4.442 14.322 708 1HD PRO 90 HD2 PRO 90 -12.865 1.539 14.455 709 2HD PRO 90 HD1 PRO 90 -13.942 2.501 13.428 710 H ASP 91 HN ASP 91 -10.957 0.737 14.044 711 HA ASP 91 HA ASP 91 -8.295 0.563 15.146 712 1HB ASP 91 HB2 ASP 91 -10.443 -0.644 15.929 713 2HB ASP 91 HB1 ASP 91 -10.101 -1.803 14.644 714 H GLN 92 HN GLN 92 -9.721 -0.332 12.094 715 HA GLN 92 HA GLN 92 -7.262 -1.846 11.346 716 1HB GLN 92 HB2 GLN 92 -9.978 -1.645 10.007 717 2HB GLN 92 HB1 GLN 92 -8.613 -2.559 9.363 718 1HG GLN 92 HG2 GLN 92 -8.606 -4.048 11.239 719 2HG GLN 92 HG1 GLN 92 -9.726 -3.023 12.138 720 1HE2 GLN 92 HE22 GLN 92 -11.273 -5.127 8.948 721 2HE2 GLN 92 HE21 GLN 92 -9.683 -4.543 8.851 722 H GLU 93 HN GLU 93 -5.945 -1.109 9.683 723 HA GLU 93 HA GLU 93 -6.437 1.681 8.786 724 1HB GLU 93 HB2 GLU 93 -3.990 -0.098 8.786 725 2HB GLU 93 HB1 GLU 93 -4.030 1.454 7.951 726 1HG GLU 93 HG2 GLU 93 -4.739 2.515 10.127 727 2HG GLU 93 HG1 GLU 93 -4.441 0.964 10.911 728 H LEU 94 HN LEU 94 -5.876 2.165 6.461 729 HA LEU 94 HA LEU 94 -7.102 0.104 4.719 730 1HB LEU 94 HB2 LEU 94 -7.725 2.627 4.745 731 2HB LEU 94 HB1 LEU 94 -6.230 2.853 3.835 732 HG LEU 94 HG LEU 94 -7.129 0.963 2.300 733 1HD1 LEU 94 HD11 LEU 94 -9.517 1.673 3.981 734 2HD1 LEU 94 HD13 LEU 94 -9.748 1.210 2.295 735 3HD1 LEU 94 HD12 LEU 94 -8.982 0.089 3.421 736 1HD2 LEU 94 HD22 LEU 94 -8.146 3.793 2.473 737 2HD2 LEU 94 HD21 LEU 94 -6.993 3.100 1.333 738 3HD2 LEU 94 HD23 LEU 94 -8.711 2.728 1.185 739 H VAL 95 HN VAL 95 -5.922 -1.068 3.272 740 HA VAL 95 HA VAL 95 -3.148 -0.165 2.636 741 HB VAL 95 HB VAL 95 -3.923 -3.023 3.294 742 1HG1 VAL 95 HG13 VAL 95 -1.278 -1.652 2.727 743 2HG1 VAL 95 HG12 VAL 95 -1.426 -3.301 3.333 744 3HG1 VAL 95 HG11 VAL 95 -2.061 -2.887 1.740 745 1HG2 VAL 95 HG22 VAL 95 -2.417 -0.957 4.933 746 2HG2 VAL 95 HG21 VAL 95 -4.008 -1.617 5.309 747 3HG2 VAL 95 HG23 VAL 95 -2.586 -2.660 5.360 748 H ILE 96 HN ILE 96 -2.823 -0.156 0.469 749 HA ILE 96 HA ILE 96 -4.792 -1.570 -1.257 750 HB ILE 96 HB ILE 96 -2.701 0.478 -2.044 751 1HG1 ILE 96 HG12 ILE 96 -4.297 1.436 -0.418 752 2HG1 ILE 96 HG11 ILE 96 -4.557 2.111 -2.025 753 1HG2 ILE 96 HG22 ILE 96 -3.568 -0.986 -3.858 754 2HG2 ILE 96 HG21 ILE 96 -5.209 -0.481 -3.455 755 3HG2 ILE 96 HG23 ILE 96 -4.050 0.697 -4.073 756 1HD1 ILE 96 HD11 ILE 96 -6.361 0.351 -2.355 757 2HD1 ILE 96 HD13 ILE 96 -6.194 -0.030 -0.640 758 3HD1 ILE 96 HD12 ILE 96 -6.728 1.575 -1.140 759 H ALA 97 HN ALA 97 -4.187 -3.391 -2.320 760 HA ALA 97 HA ALA 97 -1.283 -4.086 -2.357 761 1HB ALA 97 HB1 ALA 97 -3.809 -5.687 -2.209 762 2HB ALA 97 HB3 ALA 97 -2.402 -6.415 -2.984 763 3HB ALA 97 HB2 ALA 97 -2.307 -5.880 -1.306 764 H GLY 98 HN GLY 98 -4.030 -3.381 -4.358 765 1HA GLY 98 HA2 GLY 98 -2.681 -2.850 -6.711 766 2HA GLY 98 HA1 GLY 98 -2.967 -4.589 -6.788 767 H GLY 99 HN GLY 99 -5.951 -3.213 -8.426 768 1HA GLY 99 HA2 GLY 99 -3.254 -4.317 -8.807 769 2HA GLY 99 HA1 GLY 99 -4.411 -3.934 -10.083 770 H ALA 100 HN ALA 100 -2.727 -2.829 -11.263 771 HA ALA 100 HA ALA 100 -1.230 -0.632 -10.157 772 1HB ALA 100 HB3 ALA 100 -0.690 -1.946 -12.277 773 2HB ALA 100 HB2 ALA 100 -1.953 -1.006 -13.072 774 3HB ALA 100 HB1 ALA 100 -0.535 -0.193 -12.407 775 H GLN 101 HN GLN 101 -4.351 -0.881 -11.794 776 HA GLN 101 HA GLN 101 -4.724 1.977 -12.102 777 1HB GLN 101 HB2 GLN 101 -5.932 0.135 -13.393 778 2HB GLN 101 HB1 GLN 101 -6.907 -0.113 -11.945 779 1HG GLN 101 HG2 GLN 101 -7.628 2.238 -12.010 780 2HG GLN 101 HG1 GLN 101 -6.632 2.512 -13.440 781 1HE2 GLN 101 HE22 GLN 101 -8.797 0.408 -15.518 782 2HE2 GLN 101 HE21 GLN 101 -7.141 0.640 -15.223 783 H ILE 102 HN ILE 102 -5.251 -0.315 -9.522 784 HA ILE 102 HA ILE 102 -7.077 1.356 -7.997 785 HB ILE 102 HB ILE 102 -5.293 -0.886 -7.006 786 1HG1 ILE 102 HG12 ILE 102 -6.681 -1.635 -8.909 787 2HG1 ILE 102 HG11 ILE 102 -7.242 -2.356 -7.402 788 1HG2 ILE 102 HG23 ILE 102 -7.818 0.403 -5.938 789 2HG2 ILE 102 HG22 ILE 102 -7.150 -1.103 -5.312 790 3HG2 ILE 102 HG21 ILE 102 -6.223 0.391 -5.183 791 1HD1 ILE 102 HD11 ILE 102 -8.957 -0.512 -7.246 792 2HD1 ILE 102 HD13 ILE 102 -8.466 0.006 -8.859 793 3HD1 ILE 102 HD12 ILE 102 -9.184 -1.587 -8.625 794 H PHE 103 HN PHE 103 -3.572 0.861 -8.076 795 HA PHE 103 HA PHE 103 -2.932 2.352 -5.719 796 1HB PHE 103 HB2 PHE 103 -1.383 1.755 -8.247 797 2HB PHE 103 HB1 PHE 103 -0.686 2.669 -6.910 798 HD1 PHE 103 HD1 PHE 103 -1.526 1.440 -4.502 799 HD2 PHE 103 HD2 PHE 103 -0.638 -0.449 -8.256 800 HE1 PHE 103 HE1 PHE 103 -1.021 -0.677 -3.316 801 HE2 PHE 103 HE2 PHE 103 -0.133 -2.567 -7.069 802 HZ PHE 103 HZ PHE 103 -0.324 -2.682 -4.600 803 H THR 104 HN THR 104 -2.992 3.359 -9.154 804 HA THR 104 HA THR 104 -2.410 6.114 -8.656 805 HB THR 104 HB THR 104 -4.154 5.202 -10.938 806 HG1 THR 104 HG1 THR 104 -1.550 5.046 -11.516 807 1HG2 THR 104 HG21 THR 104 -3.471 7.617 -10.587 808 2HG2 THR 104 HG23 THR 104 -1.804 7.106 -10.852 809 3HG2 THR 104 HG22 THR 104 -2.996 6.929 -12.140 810 H ALA 105 HN ALA 105 -5.328 4.243 -8.347 811 HA ALA 105 HA ALA 105 -7.201 6.440 -8.448 812 1HB ALA 105 HB1 ALA 105 -7.346 3.664 -7.251 813 2HB ALA 105 HB3 ALA 105 -8.700 4.793 -7.210 814 3HB ALA 105 HB2 ALA 105 -8.070 4.227 -8.757 815 H PHE 106 HN PHE 106 -5.388 4.858 -5.842 816 HA PHE 106 HA PHE 106 -6.505 6.826 -3.902 817 1HB PHE 106 HB2 PHE 106 -5.031 4.208 -3.577 818 2HB PHE 106 HB1 PHE 106 -5.266 5.320 -2.229 819 HD1 PHE 106 HD1 PHE 106 -7.535 5.843 -1.401 820 HD2 PHE 106 HD2 PHE 106 -6.884 2.970 -4.528 821 HE1 PHE 106 HE1 PHE 106 -9.835 4.975 -1.082 822 HE2 PHE 106 HE2 PHE 106 -9.186 2.102 -4.208 823 HZ PHE 106 HZ PHE 106 -10.661 3.104 -2.486 824 H LYS 107 HN LYS 107 -4.158 6.988 -6.036 825 HA LYS 107 HA LYS 107 -1.791 7.526 -4.465 826 1HB LYS 107 HB2 LYS 107 -1.846 6.988 -6.946 827 2HB LYS 107 HB1 LYS 107 -2.440 8.628 -7.210 828 1HG LYS 107 HG2 LYS 107 -0.431 9.534 -6.096 829 2HG LYS 107 HG1 LYS 107 0.166 7.894 -5.843 830 1HD LYS 107 HD2 LYS 107 0.482 7.526 -8.158 831 2HD LYS 107 HD1 LYS 107 -0.535 8.899 -8.600 832 1HE LYS 107 HE2 LYS 107 1.179 10.383 -7.439 833 2HE LYS 107 HE1 LYS 107 2.228 8.967 -7.368 834 1HZ LYS 107 HZ1 LYS 107 1.183 9.202 -9.962 835 2HZ LYS 107 HZ3 LYS 107 1.831 10.704 -9.513 836 3HZ LYS 107 HZ2 LYS 107 2.802 9.310 -9.460 837 H ASP 108 HN ASP 108 -4.569 9.416 -5.457 838 HA ASP 108 HA ASP 108 -3.469 12.025 -4.987 839 1HB ASP 108 HB2 ASP 108 -5.709 11.324 -6.136 840 2HB ASP 108 HB1 ASP 108 -6.364 11.362 -4.498 841 H ASP 109 HN ASP 109 -4.883 9.592 -2.873 842 HA ASP 109 HA ASP 109 -4.367 11.412 -0.552 843 1HB ASP 109 HB2 ASP 109 -6.427 9.201 -0.829 844 2HB ASP 109 HB1 ASP 109 -6.126 10.119 0.647 845 H VAL 110 HN VAL 110 -2.379 9.720 -1.758 846 HA VAL 110 HA VAL 110 -2.161 7.325 -0.068 847 HB VAL 110 HB VAL 110 -1.378 7.265 -2.410 848 1HG1 VAL 110 HG12 VAL 110 -0.611 9.757 -2.232 849 2HG1 VAL 110 HG11 VAL 110 0.905 9.070 -1.650 850 3HG1 VAL 110 HG13 VAL 110 0.307 8.653 -3.256 851 1HG2 VAL 110 HG23 VAL 110 -0.207 6.038 -0.386 852 2HG2 VAL 110 HG22 VAL 110 0.534 6.001 -1.985 853 3HG2 VAL 110 HG21 VAL 110 1.130 7.125 -0.764 854 H ASP 111 HN ASP 111 -0.336 7.001 1.399 855 HA ASP 111 HA ASP 111 0.915 9.528 2.383 856 1HB ASP 111 HB2 ASP 111 -0.439 7.379 4.038 857 2HB ASP 111 HB1 ASP 111 0.598 8.632 4.721 858 H THR 112 HN THR 112 0.992 6.068 3.301 859 HA THR 112 HA THR 112 3.940 6.185 3.399 860 HB THR 112 HB THR 112 2.280 3.711 3.857 861 HG1 THR 112 HG1 THR 112 1.540 4.503 5.655 862 1HG2 THR 112 HG21 THR 112 4.895 4.796 4.926 863 2HG2 THR 112 HG23 THR 112 4.106 3.354 5.564 864 3HG2 THR 112 HG22 THR 112 4.667 3.386 3.892 865 H LEU 113 HN LEU 113 5.209 4.468 2.276 866 HA LEU 113 HA LEU 113 3.899 3.329 -0.134 867 1HB LEU 113 HB2 LEU 113 6.220 5.259 -0.122 868 2HB LEU 113 HB1 LEU 113 5.970 4.129 -1.453 869 HG LEU 113 HG LEU 113 3.726 5.892 -0.483 870 1HD1 LEU 113 HD12 LEU 113 5.644 7.362 -1.017 871 2HD1 LEU 113 HD11 LEU 113 5.801 6.577 -2.588 872 3HD1 LEU 113 HD13 LEU 113 4.361 7.525 -2.216 873 1HD2 LEU 113 HD23 LEU 113 3.522 3.856 -2.100 874 2HD2 LEU 113 HD22 LEU 113 2.743 5.370 -2.559 875 3HD2 LEU 113 HD21 LEU 113 4.287 4.919 -3.281 876 H LEU 114 HN LEU 114 4.237 1.253 0.770 877 HA LEU 114 HA LEU 114 6.986 0.460 1.516 878 1HB LEU 114 HB2 LEU 114 4.346 -1.033 1.538 879 2HB LEU 114 HB1 LEU 114 5.882 -1.739 2.042 880 HG LEU 114 HG LEU 114 4.873 0.842 3.236 881 1HD1 LEU 114 HD11 LEU 114 3.230 -1.134 3.465 882 2HD1 LEU 114 HD13 LEU 114 4.467 -1.882 4.475 883 3HD1 LEU 114 HD12 LEU 114 3.748 -0.344 4.955 884 1HD2 LEU 114 HD22 LEU 114 6.818 -1.315 4.113 885 2HD2 LEU 114 HD21 LEU 114 7.221 0.328 3.616 886 3HD2 LEU 114 HD23 LEU 114 6.337 0.052 5.117 887 H VAL 115 HN VAL 115 8.312 -0.064 -0.153 888 HA VAL 115 HA VAL 115 7.139 -1.596 -2.440 889 HB VAL 115 HB VAL 115 7.891 0.663 -3.098 890 1HG1 VAL 115 HG13 VAL 115 9.616 0.893 -1.304 891 2HG1 VAL 115 HG12 VAL 115 10.635 -0.245 -2.184 892 3HG1 VAL 115 HG11 VAL 115 10.227 1.314 -2.903 893 1HG2 VAL 115 HG23 VAL 115 8.249 -1.485 -4.532 894 2HG2 VAL 115 HG22 VAL 115 9.074 -0.005 -5.019 895 3HG2 VAL 115 HG21 VAL 115 9.957 -1.262 -4.152 896 H THR 116 HN THR 116 8.058 -3.560 -2.869 897 HA THR 116 HA THR 116 10.411 -4.352 -1.214 898 HB THR 116 HB THR 116 8.471 -6.143 -2.705 899 HG1 THR 116 HG1 THR 116 7.208 -5.432 -1.163 900 1HG2 THR 116 HG23 THR 116 10.680 -6.588 -0.698 901 2HG2 THR 116 HG22 THR 116 9.400 -7.777 -0.946 902 3HG2 THR 116 HG21 THR 116 10.469 -7.341 -2.280 903 H ARG 117 HN ARG 117 12.129 -3.674 -2.515 904 HA ARG 117 HA ARG 117 12.161 -4.267 -5.388 905 1HB ARG 117 HB2 ARG 117 14.321 -3.190 -3.547 906 2HB ARG 117 HB1 ARG 117 14.432 -3.273 -5.306 907 1HG ARG 117 HG2 ARG 117 12.208 -1.925 -5.288 908 2HG ARG 117 HG1 ARG 117 12.626 -1.553 -3.614 909 1HD ARG 117 HD2 ARG 117 14.519 -1.100 -5.934 910 2HD ARG 117 HD1 ARG 117 13.439 0.146 -5.311 911 HE ARG 117 HE ARG 117 14.937 -0.947 -3.136 912 1HH1 ARG 117 HH21 ARG 117 15.309 1.012 -5.980 913 2HH1 ARG 117 HH22 ARG 117 16.647 1.904 -5.336 914 1HH2 ARG 117 HH11 ARG 117 16.673 0.218 -2.310 915 2HH2 ARG 117 HH12 ARG 117 17.415 1.456 -3.268 916 H LEU 118 HN LEU 118 13.259 -5.948 -6.364 917 HA LEU 118 HA LEU 118 14.574 -7.917 -4.533 918 1HB LEU 118 HB2 LEU 118 12.714 -8.204 -6.827 919 2HB LEU 118 HB1 LEU 118 14.042 -9.362 -6.776 920 HG LEU 118 HG LEU 118 13.428 -9.804 -4.357 921 1HD1 LEU 118 HD13 LEU 118 12.151 -7.722 -3.993 922 2HD1 LEU 118 HD12 LEU 118 10.951 -8.252 -5.172 923 3HD1 LEU 118 HD11 LEU 118 11.155 -9.139 -3.660 924 1HD2 LEU 118 HD22 LEU 118 12.719 -11.207 -6.366 925 2HD2 LEU 118 HD21 LEU 118 11.695 -11.358 -4.938 926 3HD2 LEU 118 HD23 LEU 118 11.171 -10.363 -6.297 927 H ALA 119 HN ALA 119 16.678 -8.457 -4.970 928 HA ALA 119 HA ALA 119 18.214 -6.883 -6.822 929 1HB ALA 119 HB1 ALA 119 18.881 -9.437 -5.328 930 2HB ALA 119 HB3 ALA 119 20.056 -8.498 -6.250 931 3HB ALA 119 HB2 ALA 119 19.276 -7.789 -4.837 932 H GLY 120 HN GLY 120 16.889 -10.172 -6.947 933 1HA GLY 120 HA2 GLY 120 18.165 -10.920 -9.419 934 2HA GLY 120 HA1 GLY 120 16.740 -11.697 -8.727 935 H SER 121 HN SER 121 17.692 -10.233 -11.446 936 HA SER 121 HA SER 121 15.456 -8.403 -11.892 937 1HB SER 121 HB2 SER 121 16.330 -8.518 -14.299 938 2HB SER 121 HB1 SER 121 17.451 -7.892 -13.094 939 HG SER 121 HG SER 121 17.375 -10.647 -13.638 940 H PHE 122 HN PHE 122 13.593 -8.833 -13.097 941 HA PHE 122 HA PHE 122 13.240 -11.541 -14.253 942 1HB PHE 122 HB2 PHE 122 11.427 -10.354 -12.129 943 2HB PHE 122 HB1 PHE 122 11.062 -11.805 -13.065 944 HD1 PHE 122 HD2 PHE 122 12.657 -13.784 -12.932 945 HD2 PHE 122 HD1 PHE 122 12.846 -10.449 -10.230 946 HE1 PHE 122 HE2 PHE 122 13.990 -15.146 -11.345 947 HE2 PHE 122 HE1 PHE 122 14.179 -11.811 -8.643 948 HZ PHE 122 HZ PHE 122 14.750 -14.160 -9.200 949 H GLU 123 HN GLU 123 12.191 -11.361 -16.175 950 HA GLU 123 HA GLU 123 11.023 -8.748 -16.912 951 1HB GLU 123 HB2 GLU 123 11.538 -11.272 -18.514 952 2HB GLU 123 HB1 GLU 123 10.865 -9.787 -19.187 953 1HG GLU 123 HG2 GLU 123 12.914 -8.577 -18.333 954 2HG GLU 123 HG1 GLU 123 13.597 -10.154 -17.933 955 H GLY 124 HN GLY 124 8.853 -8.575 -17.757 956 1HA GLY 124 HA2 GLY 124 7.028 -10.860 -17.490 957 2HA GLY 124 HA1 GLY 124 6.760 -9.567 -16.320 958 H ASP 125 HN ASP 125 4.915 -8.584 -17.052 959 HA ASP 125 HA ASP 125 5.036 -7.354 -19.760 960 1HB ASP 125 HB2 ASP 125 2.623 -7.955 -20.102 961 2HB ASP 125 HB1 ASP 125 3.694 -9.357 -20.078 962 H THR 126 HN THR 126 3.736 -7.420 -16.497 963 HA THR 126 HA THR 126 2.435 -4.783 -16.882 964 HB THR 126 HB THR 126 2.575 -6.280 -14.272 965 HG1 THR 126 HG1 THR 126 1.855 -7.810 -15.692 966 1HG2 THR 126 HG22 THR 126 1.590 -3.906 -14.644 967 2HG2 THR 126 HG21 THR 126 0.265 -4.748 -15.449 968 3HG2 THR 126 HG23 THR 126 0.621 -5.078 -13.753 969 H LYS 127 HN LYS 127 3.169 -2.909 -15.850 970 HA LYS 127 HA LYS 127 5.772 -3.140 -14.391 971 1HB LYS 127 HB2 LYS 127 4.912 -1.078 -16.440 972 2HB LYS 127 HB1 LYS 127 6.335 -0.899 -15.413 973 1HG LYS 127 HG2 LYS 127 7.246 -3.013 -16.311 974 2HG LYS 127 HG1 LYS 127 5.831 -3.177 -17.351 975 1HD LYS 127 HD2 LYS 127 7.473 -2.191 -18.747 976 2HD LYS 127 HD1 LYS 127 6.446 -0.842 -18.254 977 1HE LYS 127 HE2 LYS 127 8.055 -0.332 -16.420 978 2HE LYS 127 HE1 LYS 127 9.101 -1.622 -17.012 979 1HZ LYS 127 HZ2 LYS 127 8.254 0.262 -19.029 980 2HZ LYS 127 HZ1 LYS 127 9.233 0.936 -17.815 981 3HZ LYS 127 HZ3 LYS 127 9.795 -0.382 -18.722 982 H MET 128 HN MET 128 6.178 -1.091 -13.049 983 HA MET 128 HA MET 128 3.684 -0.460 -11.577 984 1HB MET 128 HB2 MET 128 5.806 -1.213 -10.403 985 2HB MET 128 HB1 MET 128 6.520 0.331 -10.868 986 1HG MET 128 HG2 MET 128 5.632 0.590 -8.640 987 2HG MET 128 HG1 MET 128 4.573 1.475 -9.738 988 1HE MET 128 HE3 MET 128 2.712 1.696 -8.407 989 2HE MET 128 HE2 MET 128 1.712 0.456 -7.653 990 3HE MET 128 HE1 MET 128 3.276 0.863 -6.951 991 H ILE 129 HN ILE 129 3.084 1.740 -11.122 992 HA ILE 129 HA ILE 129 3.508 3.560 -13.335 993 HB ILE 129 HB ILE 129 2.179 5.150 -11.921 994 1HG1 ILE 129 HG12 ILE 129 2.079 2.843 -9.955 995 2HG1 ILE 129 HG11 ILE 129 3.120 4.253 -9.746 996 1HG2 ILE 129 HG23 ILE 129 1.273 3.120 -13.349 997 2HG2 ILE 129 HG22 ILE 129 0.818 2.479 -11.770 998 3HG2 ILE 129 HG21 ILE 129 0.176 4.029 -12.312 999 1HD1 ILE 129 HD11 ILE 129 1.102 5.715 -9.869 1000 2HD1 ILE 129 HD13 ILE 129 0.095 4.269 -9.954 1001 3HD1 ILE 129 HD12 ILE 129 1.047 4.597 -8.506 1002 HA PRO 130 HA PRO 130 6.936 5.935 -11.782 1003 1HB PRO 130 HB2 PRO 130 6.193 8.451 -12.759 1004 2HB PRO 130 HB1 PRO 130 7.054 7.199 -13.665 1005 1HG PRO 130 HG2 PRO 130 4.387 8.159 -14.070 1006 2HG PRO 130 HG1 PRO 130 5.262 6.928 -14.991 1007 1HD PRO 130 HD2 PRO 130 3.184 6.578 -12.964 1008 2HD PRO 130 HD1 PRO 130 3.829 5.402 -14.122 1009 H LEU 131 HN LEU 131 6.638 5.969 -9.510 1010 HA LEU 131 HA LEU 131 4.774 7.904 -8.307 1011 1HB LEU 131 HB2 LEU 131 6.763 5.949 -7.115 1012 2HB LEU 131 HB1 LEU 131 5.729 7.006 -6.151 1013 HG LEU 131 HG LEU 131 4.637 5.102 -8.235 1014 1HD1 LEU 131 HD11 LEU 131 5.058 4.701 -5.259 1015 2HD1 LEU 131 HD13 LEU 131 4.016 3.680 -6.251 1016 3HD1 LEU 131 HD12 LEU 131 5.749 3.742 -6.569 1017 1HD2 LEU 131 HD21 LEU 131 3.434 6.671 -5.934 1018 2HD2 LEU 131 HD23 LEU 131 3.125 6.904 -7.654 1019 3HD2 LEU 131 HD22 LEU 131 2.557 5.444 -6.846 1020 H ASN 132 HN ASN 132 5.370 9.848 -7.390 1021 HA ASN 132 HA ASN 132 8.019 10.898 -8.067 1022 1HB ASN 132 HB2 ASN 132 5.799 12.197 -8.136 1023 2HB ASN 132 HB1 ASN 132 5.925 12.277 -6.378 1024 1HD2 ASN 132 HD22 ASN 132 7.902 15.173 -6.744 1025 2HD2 ASN 132 HD21 ASN 132 6.533 14.453 -6.044 1026 H TRP 133 HN TRP 133 9.322 9.487 -6.707 1027 HA TRP 133 HA TRP 133 8.987 9.343 -3.850 1028 1HB TRP 133 HB2 TRP 133 11.474 8.922 -5.536 1029 2HB TRP 133 HB1 TRP 133 11.284 8.430 -3.854 1030 HD1 TRP 133 HD1 TRP 133 10.265 7.514 -7.386 1031 HE1 TRP 133 HE1 TRP 133 9.078 5.225 -7.359 1032 HE3 TRP 133 HE3 TRP 133 9.793 6.823 -2.348 1033 HZ2 TRP 133 HZ2 TRP 133 8.063 3.350 -5.453 1034 HZ3 TRP 133 HZ3 TRP 133 8.713 4.779 -1.455 1035 HH2 TRP 133 HH2 TRP 133 7.848 3.042 -2.999 1036 H ASP 134 HN ASP 134 10.188 11.808 -5.916 1037 HA ASP 134 HA ASP 134 12.134 13.036 -4.223 1038 1HB ASP 134 HB2 ASP 134 11.583 13.574 -6.677 1039 2HB ASP 134 HB1 ASP 134 10.257 14.550 -6.045 1040 H ASP 135 HN ASP 135 8.646 12.991 -4.134 1041 HA ASP 135 HA ASP 135 8.486 15.244 -2.243 1042 1HB ASP 135 HB2 ASP 135 6.709 14.665 -3.998 1043 2HB ASP 135 HB1 ASP 135 6.272 13.311 -2.955 1044 H PHE 136 HN PHE 136 8.378 11.717 -2.201 1045 HA PHE 136 HA PHE 136 7.700 11.622 0.657 1046 1HB PHE 136 HB2 PHE 136 8.516 9.461 -1.310 1047 2HB PHE 136 HB1 PHE 136 8.032 9.159 0.359 1048 HD1 PHE 136 HD1 PHE 136 6.892 10.277 -2.967 1049 HD2 PHE 136 HD2 PHE 136 5.721 9.419 1.075 1050 HE1 PHE 136 HE1 PHE 136 4.508 10.321 -3.650 1051 HE2 PHE 136 HE2 PHE 136 3.336 9.462 0.393 1052 HZ PHE 136 HZ PHE 136 2.731 9.914 -1.969 1053 H THR 137 HN THR 137 9.191 10.356 2.143 1054 HA THR 137 HA THR 137 12.068 10.723 1.448 1055 HB THR 137 HB THR 137 10.987 11.434 4.177 1056 HG1 THR 137 HG1 THR 137 11.034 13.590 3.447 1057 1HG2 THR 137 HG23 THR 137 13.406 10.980 3.931 1058 2HG2 THR 137 HG22 THR 137 13.499 12.207 2.669 1059 3HG2 THR 137 HG21 THR 137 13.103 12.672 4.323 1060 H LYS 138 HN LYS 138 13.271 8.962 2.006 1061 HA LYS 138 HA LYS 138 11.983 6.626 3.132 1062 1HB LYS 138 HB2 LYS 138 13.940 6.682 1.467 1063 2HB LYS 138 HB1 LYS 138 14.966 7.035 2.858 1064 1HG LYS 138 HG2 LYS 138 13.966 4.970 3.965 1065 2HG LYS 138 HG1 LYS 138 13.266 4.577 2.394 1066 1HD LYS 138 HD2 LYS 138 16.215 5.139 2.729 1067 2HD LYS 138 HD1 LYS 138 15.546 3.520 2.930 1068 1HE LYS 138 HE2 LYS 138 14.559 3.679 0.649 1069 2HE LYS 138 HE1 LYS 138 15.327 5.254 0.451 1070 1HZ LYS 138 HZ1 LYS 138 16.924 2.897 1.209 1071 2HZ LYS 138 HZ3 LYS 138 16.526 3.170 -0.416 1072 3HZ LYS 138 HZ2 LYS 138 17.426 4.328 0.443 1073 H VAL 139 HN VAL 139 11.514 6.492 5.268 1074 HA VAL 139 HA VAL 139 13.193 7.941 7.233 1075 HB VAL 139 HB VAL 139 11.406 7.239 8.848 1076 1HG1 VAL 139 HG11 VAL 139 11.355 9.352 7.371 1077 2HG1 VAL 139 HG13 VAL 139 10.170 8.488 6.391 1078 3HG1 VAL 139 HG12 VAL 139 9.826 8.838 8.085 1079 1HG2 VAL 139 HG22 VAL 139 10.213 6.045 6.326 1080 2HG2 VAL 139 HG21 VAL 139 10.695 5.169 7.779 1081 3HG2 VAL 139 HG23 VAL 139 9.322 6.276 7.830 1082 H SER 140 HN SER 140 12.198 4.643 6.389 1083 HA SER 140 HA SER 140 14.586 3.595 7.759 1084 1HB SER 140 HB2 SER 140 11.802 2.668 8.527 1085 2HB SER 140 HB1 SER 140 13.316 1.983 9.112 1086 HG SER 140 HG SER 140 13.638 3.709 10.334 1087 H SER 141 HN SER 141 14.792 1.189 7.308 1088 HA SER 141 HA SER 141 13.157 0.073 5.157 1089 1HB SER 141 HB2 SER 141 14.977 -0.085 3.514 1090 2HB SER 141 HB1 SER 141 14.657 1.602 3.903 1091 HG SER 141 HG SER 141 16.405 1.460 5.411 1092 H ARG 142 HN ARG 142 13.240 -2.135 5.287 1093 HA ARG 142 HA ARG 142 15.228 -3.308 7.167 1094 1HB ARG 142 HB2 ARG 142 12.660 -3.649 7.368 1095 2HB ARG 142 HB1 ARG 142 12.850 -4.756 6.009 1096 1HG ARG 142 HG2 ARG 142 14.648 -5.938 7.338 1097 2HG ARG 142 HG1 ARG 142 14.192 -4.937 8.718 1098 1HD ARG 142 HD2 ARG 142 12.160 -6.587 7.211 1099 2HD ARG 142 HD1 ARG 142 13.084 -7.252 8.557 1100 HE ARG 142 HE ARG 142 11.751 -4.720 9.177 1101 1HH1 ARG 142 HH21 ARG 142 11.520 -8.185 9.087 1102 2HH1 ARG 142 HH22 ARG 142 10.273 -8.252 10.287 1103 1HH2 ARG 142 HH11 ARG 142 10.134 -4.819 10.734 1104 2HH2 ARG 142 HH12 ARG 142 9.492 -6.355 11.215 1105 H THR 143 HN THR 143 17.009 -4.103 6.169 1106 HA THR 143 HA THR 143 16.805 -5.104 3.384 1107 HB THR 143 HB THR 143 19.306 -4.883 5.073 1108 HG1 THR 143 HG1 THR 143 17.737 -2.949 3.880 1109 1HG2 THR 143 HG23 THR 143 19.459 -6.195 2.992 1110 2HG2 THR 143 HG22 THR 143 18.807 -4.830 2.083 1111 3HG2 THR 143 HG21 THR 143 20.383 -4.699 2.864 1112 H VAL 144 HN VAL 144 17.210 -7.254 2.842 1113 HA VAL 144 HA VAL 144 18.069 -9.152 4.930 1114 HB VAL 144 HB VAL 144 15.624 -9.008 5.254 1115 1HG1 VAL 144 HG13 VAL 144 15.494 -9.847 2.342 1116 2HG1 VAL 144 HG12 VAL 144 14.112 -9.739 3.433 1117 3HG1 VAL 144 HG11 VAL 144 15.002 -8.282 2.992 1118 1HG2 VAL 144 HG22 VAL 144 16.778 -11.186 5.563 1119 2HG2 VAL 144 HG21 VAL 144 15.117 -11.398 5.009 1120 3HG2 VAL 144 HG23 VAL 144 16.456 -11.582 3.875 1121 H GLU 145 HN GLU 145 18.894 -11.094 4.031 1122 HA GLU 145 HA GLU 145 18.959 -11.206 1.043 1123 1HB GLU 145 HB2 GLU 145 21.311 -12.050 1.259 1124 2HB GLU 145 HB1 GLU 145 21.119 -10.381 1.794 1125 1HG GLU 145 HG2 GLU 145 20.900 -11.197 4.142 1126 2HG GLU 145 HG1 GLU 145 21.216 -12.836 3.571 1127 H ASP 146 HN ASP 146 18.458 -13.193 0.221 1128 HA ASP 146 HA ASP 146 17.868 -15.369 2.138 1129 1HB ASP 146 HB2 ASP 146 16.409 -14.544 0.081 1130 2HB ASP 146 HB1 ASP 146 17.460 -15.640 -0.819 1131 H THR 147 HN THR 147 18.318 -17.640 0.726 1132 HA THR 147 HA THR 147 21.144 -18.042 0.977 1133 HB THR 147 HB THR 147 20.674 -20.244 -0.129 1134 HG1 THR 147 HG1 THR 147 17.965 -19.546 -0.105 1135 1HG2 THR 147 HG21 THR 147 18.983 -19.227 2.144 1136 2HG2 THR 147 HG23 THR 147 18.845 -20.898 1.599 1137 3HG2 THR 147 HG22 THR 147 20.387 -20.293 2.201 1138 H ASN 148 HN ASN 148 19.060 -17.315 -1.782 1139 HA ASN 148 HA ASN 148 21.382 -17.471 -3.623 1140 1HB ASN 148 HB2 ASN 148 18.763 -18.175 -3.976 1141 2HB ASN 148 HB1 ASN 148 18.766 -16.550 -4.663 1142 1HD2 ASN 148 HD22 ASN 148 20.048 -17.882 -7.659 1143 2HD2 ASN 148 HD21 ASN 148 18.873 -16.917 -6.903 1144 HA PRO 149 HA PRO 149 21.952 -13.053 -3.601 1145 1HB PRO 149 HB2 PRO 149 23.093 -12.837 -6.152 1146 2HB PRO 149 HB1 PRO 149 23.960 -13.188 -4.651 1147 1HG PRO 149 HG2 PRO 149 23.491 -14.927 -6.880 1148 2HG PRO 149 HG1 PRO 149 24.402 -15.256 -5.400 1149 1HD PRO 149 HD2 PRO 149 21.726 -16.141 -6.134 1150 2HD PRO 149 HD1 PRO 149 22.751 -16.675 -4.793 1151 H ALA 150 HN ALA 150 20.149 -14.620 -6.129 1152 HA ALA 150 HA ALA 150 19.190 -12.094 -7.297 1153 1HB ALA 150 HB3 ALA 150 18.655 -15.015 -7.823 1154 2HB ALA 150 HB2 ALA 150 17.639 -13.766 -8.543 1155 3HB ALA 150 HB1 ALA 150 19.365 -13.814 -8.903 1156 H LEU 151 HN LEU 151 18.233 -14.359 -4.842 1157 HA LEU 151 HA LEU 151 15.434 -13.460 -4.789 1158 1HB LEU 151 HB2 LEU 151 17.067 -15.292 -3.017 1159 2HB LEU 151 HB1 LEU 151 15.386 -14.881 -2.676 1160 HG LEU 151 HG LEU 151 16.219 -15.955 -5.370 1161 1HD1 LEU 151 HD12 LEU 151 16.884 -17.487 -3.419 1162 2HD1 LEU 151 HD11 LEU 151 15.158 -17.647 -3.100 1163 3HD1 LEU 151 HD13 LEU 151 15.823 -18.187 -4.642 1164 1HD2 LEU 151 HD23 LEU 151 13.638 -15.754 -3.798 1165 2HD2 LEU 151 HD22 LEU 151 14.024 -14.991 -5.341 1166 3HD2 LEU 151 HD21 LEU 151 13.791 -16.737 -5.254 1167 H THR 152 HN THR 152 18.283 -12.070 -3.812 1168 HA THR 152 HA THR 152 17.695 -11.125 -1.177 1169 HB THR 152 HB THR 152 19.239 -9.523 -3.215 1170 HG1 THR 152 HG1 THR 152 19.814 -12.009 -2.068 1171 1HG2 THR 152 HG23 THR 152 18.766 -8.841 -0.746 1172 2HG2 THR 152 HG22 THR 152 19.954 -10.081 -0.346 1173 3HG2 THR 152 HG21 THR 152 20.416 -8.710 -1.354 1174 H HIS 153 HN HIS 153 16.685 -9.202 -0.491 1175 HA HIS 153 HA HIS 153 15.561 -7.331 -2.448 1176 1HB HIS 153 HB2 HIS 153 13.209 -7.688 -1.644 1177 2HB HIS 153 HB1 HIS 153 13.854 -9.058 -2.547 1178 HD1 HIS 153 HD1 HIS 153 15.044 -10.954 -0.884 1179 HD2 HIS 153 HD2 HIS 153 12.177 -8.441 0.801 1180 HE1 HIS 153 HE1 HIS 153 14.271 -12.079 1.249 1181 H THR 154 HN THR 154 14.365 -5.543 -1.285 1182 HA THR 154 HA THR 154 15.129 -5.316 1.587 1183 HB THR 154 HB THR 154 15.533 -3.075 -0.411 1184 HG1 THR 154 HG1 THR 154 17.364 -3.954 -0.870 1185 1HG2 THR 154 HG21 THR 154 15.198 -2.781 2.186 1186 2HG2 THR 154 HG23 THR 154 16.866 -3.350 2.262 1187 3HG2 THR 154 HG22 THR 154 16.473 -1.888 1.355 1188 H TYR 155 HN TYR 155 13.510 -4.427 2.806 1189 HA TYR 155 HA TYR 155 11.035 -3.611 1.404 1190 1HB TYR 155 HB2 TYR 155 11.620 -4.059 4.348 1191 2HB TYR 155 HB1 TYR 155 10.032 -3.681 3.679 1192 HD1 TYR 155 HD2 TYR 155 8.818 -5.305 2.301 1193 HD2 TYR 155 HD1 TYR 155 12.660 -6.235 3.982 1194 HE1 TYR 155 HE2 TYR 155 8.457 -7.707 1.798 1195 HE2 TYR 155 HE1 TYR 155 12.299 -8.637 3.481 1196 HH TYR 155 HH TYR 155 9.219 -9.853 2.444 1197 H GLU 156 HN GLU 156 11.500 -1.514 0.658 1198 HA GLU 156 HA GLU 156 12.647 0.505 2.432 1199 1HB GLU 156 HB2 GLU 156 11.442 0.590 -0.340 1200 2HB GLU 156 HB1 GLU 156 11.968 2.049 0.499 1201 1HG GLU 156 HG2 GLU 156 14.232 1.251 0.641 1202 2HG GLU 156 HG1 GLU 156 13.761 -0.353 0.075 1203 H VAL 157 HN VAL 157 11.532 2.070 3.576 1204 HA VAL 157 HA VAL 157 8.546 2.024 3.375 1205 HB VAL 157 HB VAL 157 10.161 2.397 5.915 1206 1HG1 VAL 157 HG12 VAL 157 7.200 2.108 5.332 1207 2HG1 VAL 157 HG11 VAL 157 7.893 2.012 6.952 1208 3HG1 VAL 157 HG13 VAL 157 8.016 3.509 6.027 1209 1HG2 VAL 157 HG23 VAL 157 8.912 -0.015 4.626 1210 2HG2 VAL 157 HG22 VAL 157 10.459 0.122 5.462 1211 3HG2 VAL 157 HG21 VAL 157 8.957 0.102 6.386 1212 H TRP 158 HN TRP 158 8.182 3.945 2.319 1213 HA TRP 158 HA TRP 158 9.675 6.365 3.201 1214 1HB TRP 158 HB2 TRP 158 7.878 5.867 0.808 1215 2HB TRP 158 HB1 TRP 158 8.652 7.409 1.168 1216 HD1 TRP 158 HD1 TRP 158 9.787 3.717 0.822 1217 HE1 TRP 158 HE1 TRP 158 12.045 3.693 -0.421 1218 HE3 TRP 158 HE3 TRP 158 10.494 8.733 0.181 1219 HZ2 TRP 158 HZ2 TRP 158 13.907 5.556 -1.539 1220 HZ3 TRP 158 HZ3 TRP 158 12.515 9.581 -0.974 1221 HH2 TRP 158 HH2 TRP 158 14.221 8.000 -1.835 1222 H GLN 159 HN GLN 159 8.330 8.396 3.407 1223 HA GLN 159 HA GLN 159 5.518 7.915 4.222 1224 1HB GLN 159 HB2 GLN 159 7.677 9.062 6.012 1225 2HB GLN 159 HB1 GLN 159 5.953 9.253 6.333 1226 1HG GLN 159 HG2 GLN 159 5.825 6.680 6.105 1227 2HG GLN 159 HG1 GLN 159 7.579 6.713 6.287 1228 1HE2 GLN 159 HE22 GLN 159 5.417 6.827 9.592 1229 2HE2 GLN 159 HE21 GLN 159 4.902 6.197 8.103 1230 H LYS 160 HN LYS 160 4.217 9.670 3.765 1231 HA LYS 160 HA LYS 160 5.323 11.809 2.146 1232 1HB LYS 160 HB2 LYS 160 2.957 10.756 2.028 1233 2HB LYS 160 HB1 LYS 160 2.567 11.829 3.372 1234 1HG LYS 160 HG2 LYS 160 3.603 13.697 1.887 1235 2HG LYS 160 HG1 LYS 160 3.382 12.551 0.563 1236 1HD LYS 160 HD2 LYS 160 0.990 12.385 1.073 1237 2HD LYS 160 HD1 LYS 160 1.190 13.475 2.445 1238 1HE LYS 160 HE2 LYS 160 0.343 14.719 0.510 1239 2HE LYS 160 HE1 LYS 160 1.981 15.248 0.894 1240 1HZ LYS 160 HZ1 LYS 160 1.425 13.134 -1.101 1241 2HZ LYS 160 HZ3 LYS 160 1.490 14.776 -1.518 1242 3HZ LYS 160 HZ2 LYS 160 2.862 14.011 -0.872 1243 H LYS 161 HN LYS 161 6.430 13.470 3.048 1244 HA LYS 161 HA LYS 161 5.255 14.896 5.352 1245 1HB LYS 161 HB2 LYS 161 6.894 13.075 6.175 1246 2HB LYS 161 HB1 LYS 161 8.160 14.080 5.470 1247 1HG LYS 161 HG2 LYS 161 8.036 14.813 7.715 1248 2HG LYS 161 HG1 LYS 161 7.108 16.017 6.820 1249 1HD LYS 161 HD2 LYS 161 5.055 15.192 7.577 1250 2HD LYS 161 HD1 LYS 161 5.719 13.599 7.942 1251 1HE LYS 161 HE2 LYS 161 7.032 14.594 9.801 1252 2HE LYS 161 HE1 LYS 161 6.301 16.162 9.457 1253 1HZ LYS 161 HZ3 LYS 161 4.108 14.799 9.682 1254 2HZ LYS 161 HZ2 LYS 161 5.082 13.747 10.593 1255 3HZ LYS 161 HZ1 LYS 161 4.907 15.369 11.066 1256 H ALA 162 HN ALA 162 5.104 16.879 4.396 1257 HA ALA 162 HA ALA 162 7.129 17.823 2.500 1258 1HB ALA 162 HB3 ALA 162 4.705 18.373 2.251 1259 2HB ALA 162 HB2 ALA 162 4.798 19.319 3.737 1260 3HB ALA 162 HB1 ALA 162 5.723 19.811 2.318 1261 1H9 TMQ 170 H91 TMQ 170 -0.761 -9.873 -6.512 1262 2H9 TMQ 170 H92 TMQ 170 -1.520 -10.674 -5.128 1263 HN1 TMQ 170 H1N TMQ 170 -0.196 -11.947 -7.275 1264 1H17 TMQ 170 HM1 TMQ 170 -1.705 -8.766 -4.596 1265 2H17 TMQ 170 HM2 TMQ 170 -0.927 -7.244 -4.168 1266 3H17 TMQ 170 HM3 TMQ 170 -1.467 -8.353 -2.899 1267 1H21 TMQ 170 HW11 TMQ 170 -0.663 -12.521 -1.623 1268 2H21 TMQ 170 HW12 TMQ 170 -1.836 -13.236 -0.507 1269 3H21 TMQ 170 HW13 TMQ 170 -2.377 -12.579 -2.059 1270 1H22 TMQ 170 HI1 TMQ 170 1.104 -15.672 -1.781 1271 2H22 TMQ 170 HI2 TMQ 170 2.012 -16.402 -3.115 1272 3H22 TMQ 170 HI3 TMQ 170 1.259 -17.433 -1.889 1273 1H23 TMQ 170 HW21 TMQ 170 1.609 -15.939 -7.677 1274 2H23 TMQ 170 HW22 TMQ 170 2.770 -15.437 -6.440 1275 3H23 TMQ 170 HW23 TMQ 170 2.725 -17.122 -6.977 1276 1HN2 TMQ 170 HN21 TMQ 170 5.643 -8.059 -0.875 1277 2HN2 TMQ 170 HN22 TMQ 170 4.757 -6.770 -0.130 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.472 -6.736 -2.304 1279 2HN5 TMQ 170 HN42 TMQ 170 0.465 -5.876 -1.162 1280 HN TMQ 170 H1 TMQ 170 4.629 -9.377 -2.447 1281 H7 TMQ 170 H7 TMQ 170 1.893 -11.590 -5.524 1282 H8 TMQ 170 H8 TMQ 170 3.776 -10.887 -4.119 1283 H12 TMQ 170 HP2 TMQ 170 -1.382 -12.217 -3.864 1284 H16 TMQ 170 HP6 TMQ 170 0.859 -14.119 -7.030 No H/Q in entry = 1284 Start of MODEL 21 1 1H THR 1 HT3 THR 1 -3.022 5.600 4.681 2 2H THR 1 HT2 THR 1 -3.668 6.609 3.477 3 3H THR 1 HT1 THR 1 -4.698 5.648 4.426 4 HA THR 1 HA THR 1 -4.376 3.824 3.195 5 HB THR 1 HB THR 1 -3.050 5.720 1.247 6 HG1 THR 1 HG1 THR 1 -5.297 6.121 2.496 7 1HG2 THR 1 HG21 THR 1 -4.692 3.204 1.072 8 2HG2 THR 1 HG23 THR 1 -4.630 4.330 -0.285 9 3HG2 THR 1 HG22 THR 1 -3.148 3.574 0.302 10 H ALA 2 HN ALA 2 -2.855 2.276 2.247 11 HA ALA 2 HA ALA 2 0.016 2.871 2.803 12 1HB ALA 2 HB3 ALA 2 -1.464 0.346 3.610 13 2HB ALA 2 HB2 ALA 2 0.269 0.621 3.795 14 3HB ALA 2 HB1 ALA 2 -0.880 1.592 4.714 15 H PHE 3 HN PHE 3 0.869 2.775 0.773 16 HA PHE 3 HA PHE 3 -0.189 0.897 -1.227 17 1HB PHE 3 HB2 PHE 3 1.877 3.082 -1.219 18 2HB PHE 3 HB1 PHE 3 1.853 1.909 -2.535 19 HD1 PHE 3 HD1 PHE 3 -0.818 3.657 -0.545 20 HD2 PHE 3 HD2 PHE 3 0.805 2.768 -4.423 21 HE1 PHE 3 HE1 PHE 3 -2.692 4.881 -1.611 22 HE2 PHE 3 HE2 PHE 3 -1.070 3.992 -5.487 23 HZ PHE 3 HZ PHE 3 -2.818 5.049 -4.082 24 H LEU 4 HN LEU 4 0.574 -1.139 -1.452 25 HA LEU 4 HA LEU 4 3.405 -1.711 -0.722 26 1HB LEU 4 HB2 LEU 4 1.917 -2.345 1.193 27 2HB LEU 4 HB1 LEU 4 1.053 -3.438 0.111 28 HG LEU 4 HG LEU 4 3.504 -4.335 -0.386 29 1HD1 LEU 4 HD13 LEU 4 3.712 -2.791 2.172 30 2HD1 LEU 4 HD12 LEU 4 4.595 -4.313 2.035 31 3HD1 LEU 4 HD11 LEU 4 4.907 -3.004 0.893 32 1HD2 LEU 4 HD23 LEU 4 1.529 -5.548 0.644 33 2HD2 LEU 4 HD22 LEU 4 3.105 -6.086 1.224 34 3HD2 LEU 4 HD21 LEU 4 2.116 -5.019 2.221 35 H TRP 5 HN TRP 5 4.262 -2.427 -2.617 36 HA TRP 5 HA TRP 5 2.808 -4.560 -4.085 37 1HB TRP 5 HB2 TRP 5 3.224 -3.460 -6.248 38 2HB TRP 5 HB1 TRP 5 2.230 -2.437 -5.214 39 HD1 TRP 5 HD1 TRP 5 5.300 -2.389 -7.240 40 HE1 TRP 5 HE1 TRP 5 6.664 -0.249 -6.796 41 HE3 TRP 5 HE3 TRP 5 2.937 -0.687 -3.040 42 HZ2 TRP 5 HZ2 TRP 5 6.745 1.899 -4.913 43 HZ3 TRP 5 HZ3 TRP 5 3.682 1.406 -1.944 44 HH2 TRP 5 HH2 TRP 5 5.579 2.701 -2.874 45 H ALA 6 HN ALA 6 4.182 -6.091 -4.982 46 HA ALA 6 HA ALA 6 7.032 -5.881 -4.226 47 1HB ALA 6 HB2 ALA 6 5.326 -8.126 -5.326 48 2HB ALA 6 HB1 ALA 6 7.070 -8.274 -5.114 49 3HB ALA 6 HB3 ALA 6 6.033 -7.997 -3.715 50 H GLN 7 HN GLN 7 8.332 -4.858 -5.672 51 HA GLN 7 HA GLN 7 7.990 -5.524 -8.563 52 1HB GLN 7 HB2 GLN 7 8.612 -3.163 -9.096 53 2HB GLN 7 HB1 GLN 7 7.078 -3.285 -8.235 54 1HG GLN 7 HG2 GLN 7 8.060 -1.644 -6.954 55 2HG GLN 7 HG1 GLN 7 8.709 -3.053 -6.115 56 1HE2 GLN 7 HE22 GLN 7 11.232 -1.148 -8.759 57 2HE2 GLN 7 HE21 GLN 7 9.577 -1.235 -9.123 58 H ASP 8 HN ASP 8 9.968 -5.469 -9.788 59 HA ASP 8 HA ASP 8 12.388 -5.810 -8.081 60 1HB ASP 8 HB2 ASP 8 13.335 -6.913 -10.153 61 2HB ASP 8 HB1 ASP 8 11.949 -7.746 -9.450 62 H ARG 9 HN ARG 9 14.479 -5.090 -9.247 63 HA ARG 9 HA ARG 9 14.393 -2.276 -9.688 64 1HB ARG 9 HB2 ARG 9 16.739 -2.571 -10.521 65 2HB ARG 9 HB1 ARG 9 16.448 -3.356 -8.968 66 1HG ARG 9 HG2 ARG 9 16.290 -5.513 -9.975 67 2HG ARG 9 HG1 ARG 9 16.179 -4.828 -11.596 68 1HD ARG 9 HD2 ARG 9 18.600 -4.356 -9.857 69 2HD ARG 9 HD1 ARG 9 18.465 -5.790 -10.874 70 HE ARG 9 HE ARG 9 17.953 -3.317 -12.333 71 1HH1 ARG 9 HH11 ARG 9 20.373 -5.518 -11.160 72 2HH1 ARG 9 HH12 ARG 9 21.535 -5.068 -12.363 73 1HH2 ARG 9 HH21 ARG 9 19.471 -2.742 -13.888 74 2HH2 ARG 9 HH22 ARG 9 21.026 -3.504 -13.900 75 H ASP 10 HN ASP 10 13.743 -4.907 -11.818 76 HA ASP 10 HA ASP 10 14.357 -3.495 -14.294 77 1HB ASP 10 HB2 ASP 10 12.810 -6.015 -13.658 78 2HB ASP 10 HB1 ASP 10 12.956 -5.386 -15.299 79 H GLY 11 HN GLY 11 12.287 -2.536 -12.111 80 1HA GLY 11 HA2 GLY 11 10.325 -1.253 -12.160 81 2HA GLY 11 HA1 GLY 11 10.591 -1.087 -13.896 82 H LEU 12 HN LEU 12 10.135 -4.133 -12.148 83 HA LEU 12 HA LEU 12 7.655 -4.567 -13.764 84 1HB LEU 12 HB2 LEU 12 9.814 -6.097 -13.921 85 2HB LEU 12 HB1 LEU 12 9.140 -6.819 -12.460 86 HG LEU 12 HG LEU 12 6.908 -6.870 -13.835 87 1HD1 LEU 12 HD13 LEU 12 7.995 -5.515 -15.700 88 2HD1 LEU 12 HD12 LEU 12 8.924 -6.962 -16.090 89 3HD1 LEU 12 HD11 LEU 12 7.165 -6.984 -16.214 90 1HD2 LEU 12 HD23 LEU 12 8.631 -8.765 -13.133 91 2HD2 LEU 12 HD22 LEU 12 7.330 -9.114 -14.272 92 3HD2 LEU 12 HD21 LEU 12 8.961 -8.798 -14.866 93 H ILE 13 HN ILE 13 6.021 -6.010 -12.642 94 HA ILE 13 HA ILE 13 6.087 -5.743 -9.676 95 HB ILE 13 HB ILE 13 3.701 -5.011 -9.715 96 1HG1 ILE 13 HG12 ILE 13 3.243 -3.932 -12.164 97 2HG1 ILE 13 HG11 ILE 13 4.174 -5.355 -12.630 98 1HG2 ILE 13 HG22 ILE 13 5.753 -3.310 -11.151 99 2HG2 ILE 13 HG21 ILE 13 4.194 -2.686 -10.612 100 3HG2 ILE 13 HG23 ILE 13 5.356 -3.293 -9.433 101 1HD1 ILE 13 HD13 ILE 13 2.516 -6.496 -10.836 102 2HD1 ILE 13 HD12 ILE 13 1.478 -5.181 -11.389 103 3HD1 ILE 13 HD11 ILE 13 2.111 -6.352 -12.546 104 H GLY 14 HN GLY 14 4.494 -7.169 -12.519 105 1HA GLY 14 HA2 GLY 14 4.440 -9.788 -11.242 106 2HA GLY 14 HA1 GLY 14 2.835 -9.072 -11.395 107 H LYS 15 HN LYS 15 2.930 -11.264 -12.784 108 HA LYS 15 HA LYS 15 2.840 -10.399 -15.570 109 1HB LYS 15 HB2 LYS 15 5.289 -10.971 -15.124 110 2HB LYS 15 HB1 LYS 15 4.760 -12.638 -14.891 111 1HG LYS 15 HG2 LYS 15 3.632 -12.451 -17.179 112 2HG LYS 15 HG1 LYS 15 4.543 -10.956 -17.394 113 1HD LYS 15 HD2 LYS 15 5.983 -12.530 -18.347 114 2HD LYS 15 HD1 LYS 15 6.600 -12.431 -16.698 115 1HE LYS 15 HE2 LYS 15 6.417 -14.741 -16.994 116 2HE LYS 15 HE1 LYS 15 4.877 -14.354 -16.227 117 1HZ LYS 15 HZ3 LYS 15 4.133 -14.008 -18.684 118 2HZ LYS 15 HZ2 LYS 15 5.445 -15.031 -19.025 119 3HZ LYS 15 HZ1 LYS 15 4.186 -15.567 -18.018 120 H ASP 16 HN ASP 16 1.124 -11.451 -16.437 121 HA ASP 16 HA ASP 16 -0.562 -13.048 -16.756 122 1HB ASP 16 HB2 ASP 16 1.858 -14.629 -16.047 123 2HB ASP 16 HB1 ASP 16 0.309 -15.466 -15.936 124 H GLY 17 HN GLY 17 -0.345 -11.590 -14.190 125 1HA GLY 17 HA2 GLY 17 -1.844 -11.598 -12.331 126 2HA GLY 17 HA1 GLY 17 -2.184 -13.300 -12.643 127 H HIS 18 HN HIS 18 0.018 -14.664 -12.427 128 HA HIS 18 HA HIS 18 0.803 -14.398 -9.638 129 1HB HIS 18 HB2 HIS 18 2.272 -16.366 -10.156 130 2HB HIS 18 HB1 HIS 18 0.583 -16.622 -10.594 131 HD1 HIS 18 HD1 HIS 18 3.900 -15.665 -12.187 132 HD2 HIS 18 HD2 HIS 18 0.169 -17.156 -13.298 133 HE1 HIS 18 HE1 HIS 18 4.075 -16.281 -14.637 134 H LEU 19 HN LEU 19 3.210 -14.450 -9.059 135 HA LEU 19 HA LEU 19 4.512 -12.168 -10.355 136 1HB LEU 19 HB2 LEU 19 5.153 -13.909 -7.977 137 2HB LEU 19 HB1 LEU 19 6.339 -12.766 -8.609 138 HG LEU 19 HG LEU 19 3.517 -11.897 -7.989 139 1HD1 LEU 19 HD12 LEU 19 5.838 -12.321 -6.121 140 2HD1 LEU 19 HD11 LEU 19 4.693 -11.014 -5.820 141 3HD1 LEU 19 HD13 LEU 19 4.130 -12.684 -5.869 142 1HD2 LEU 19 HD21 LEU 19 6.166 -10.625 -8.568 143 2HD2 LEU 19 HD23 LEU 19 4.561 -10.180 -9.146 144 3HD2 LEU 19 HD22 LEU 19 5.049 -9.773 -7.501 145 HA PRO 20 HA PRO 20 7.245 -14.528 -12.963 146 1HB PRO 20 HB2 PRO 20 9.333 -12.677 -13.089 147 2HB PRO 20 HB1 PRO 20 7.887 -12.671 -14.106 148 1HG PRO 20 HG2 PRO 20 8.632 -10.801 -12.061 149 2HG PRO 20 HG1 PRO 20 7.226 -10.760 -13.133 150 1HD PRO 20 HD2 PRO 20 7.366 -11.533 -10.325 151 2HD PRO 20 HD1 PRO 20 5.942 -11.216 -11.328 152 H TRP 21 HN TRP 21 8.475 -13.215 -9.940 153 HA TRP 21 HA TRP 21 10.686 -15.222 -9.976 154 1HB TRP 21 HB2 TRP 21 11.625 -13.858 -8.091 155 2HB TRP 21 HB1 TRP 21 11.475 -12.953 -9.598 156 HD1 TRP 21 HD1 TRP 21 9.743 -13.403 -6.199 157 HE1 TRP 21 HE1 TRP 21 8.337 -11.297 -5.711 158 HE3 TRP 21 HE3 TRP 21 10.318 -10.916 -10.621 159 HZ2 TRP 21 HZ2 TRP 21 7.560 -8.879 -7.025 160 HZ3 TRP 21 HZ3 TRP 21 9.235 -8.716 -10.976 161 HH2 TRP 21 HH2 TRP 21 7.859 -7.694 -9.186 162 H HIS 22 HN HIS 22 11.169 -16.029 -7.621 163 HA HIS 22 HA HIS 22 8.570 -16.672 -6.281 164 1HB HIS 22 HB2 HIS 22 9.670 -18.575 -7.598 165 2HB HIS 22 HB1 HIS 22 10.957 -18.528 -6.392 166 HD1 HIS 22 HD1 HIS 22 7.132 -18.503 -6.217 167 HD2 HIS 22 HD2 HIS 22 10.402 -20.358 -4.414 168 HE1 HIS 22 HE1 HIS 22 6.190 -20.076 -4.469 169 H LEU 23 HN LEU 23 8.656 -15.431 -4.451 170 HA LEU 23 HA LEU 23 11.117 -15.660 -2.767 171 1HB LEU 23 HB2 LEU 23 10.655 -13.374 -3.915 172 2HB LEU 23 HB1 LEU 23 9.341 -13.222 -2.749 173 HG LEU 23 HG LEU 23 10.987 -13.629 -0.911 174 1HD1 LEU 23 HD12 LEU 23 12.839 -13.738 -3.280 175 2HD1 LEU 23 HD11 LEU 23 13.437 -13.188 -1.715 176 3HD1 LEU 23 HD13 LEU 23 12.765 -14.810 -1.881 177 1HD2 LEU 23 HD22 LEU 23 10.420 -11.307 -2.193 178 2HD2 LEU 23 HD21 LEU 23 11.486 -11.394 -0.792 179 3HD2 LEU 23 HD23 LEU 23 12.168 -11.356 -2.419 180 HA PRO 24 HA PRO 24 7.504 -17.679 -0.575 181 1HB PRO 24 HB2 PRO 24 9.622 -18.664 1.170 182 2HB PRO 24 HB1 PRO 24 8.488 -19.577 0.167 183 1HG PRO 24 HG2 PRO 24 11.255 -19.039 -0.328 184 2HG PRO 24 HG1 PRO 24 10.125 -19.980 -1.311 185 1HD PRO 24 HD2 PRO 24 11.247 -17.499 -1.994 186 2HD PRO 24 HD1 PRO 24 9.887 -18.294 -2.802 187 H ASP 25 HN ASP 25 10.338 -15.971 0.737 188 HA ASP 25 HA ASP 25 9.255 -15.415 3.324 189 1HB ASP 25 HB2 ASP 25 11.678 -15.077 2.363 190 2HB ASP 25 HB1 ASP 25 11.076 -13.479 1.919 191 H ASP 26 HN ASP 26 9.236 -13.492 0.313 192 HA ASP 26 HA ASP 26 7.753 -11.287 1.389 193 1HB ASP 26 HB2 ASP 26 9.036 -11.231 -0.759 194 2HB ASP 26 HB1 ASP 26 7.809 -12.273 -1.480 195 H LEU 27 HN LEU 27 6.795 -14.397 0.050 196 HA LEU 27 HA LEU 27 3.994 -13.766 -0.269 197 1HB LEU 27 HB2 LEU 27 5.361 -16.443 0.147 198 2HB LEU 27 HB1 LEU 27 3.696 -16.221 -0.392 199 HG LEU 27 HG LEU 27 6.115 -15.115 -1.846 200 1HD1 LEU 27 HD13 LEU 27 4.626 -17.708 -2.049 201 2HD1 LEU 27 HD12 LEU 27 5.221 -16.960 -3.531 202 3HD1 LEU 27 HD11 LEU 27 6.350 -17.390 -2.245 203 1HD2 LEU 27 HD22 LEU 27 3.146 -15.074 -2.266 204 2HD2 LEU 27 HD21 LEU 27 4.332 -13.798 -2.543 205 3HD2 LEU 27 HD23 LEU 27 4.197 -15.137 -3.682 206 H HIS 28 HN HIS 28 5.988 -14.651 2.444 207 HA HIS 28 HA HIS 28 3.688 -15.386 4.132 208 1HB HIS 28 HB2 HIS 28 6.663 -15.147 4.617 209 2HB HIS 28 HB1 HIS 28 5.523 -15.430 5.933 210 HD1 HIS 28 HD1 HIS 28 3.588 -17.406 4.728 211 HD2 HIS 28 HD2 HIS 28 7.700 -17.659 4.094 212 HE1 HIS 28 HE1 HIS 28 4.067 -19.809 4.090 213 H TYR 29 HN TYR 29 5.749 -12.614 3.514 214 HA TYR 29 HA TYR 29 4.993 -11.100 5.855 215 1HB TYR 29 HB2 TYR 29 7.002 -10.669 4.347 216 2HB TYR 29 HB1 TYR 29 5.873 -9.967 3.189 217 HD1 TYR 29 HD1 TYR 29 6.384 -9.818 6.911 218 HD2 TYR 29 HD2 TYR 29 5.757 -7.648 3.258 219 HE1 TYR 29 HE1 TYR 29 6.414 -7.685 8.174 220 HE2 TYR 29 HE2 TYR 29 5.787 -5.514 4.521 221 HH TYR 29 HH TYR 29 5.304 -4.804 6.941 222 H PHE 30 HN PHE 30 3.496 -11.712 2.773 223 HA PHE 30 HA PHE 30 1.757 -9.443 2.646 224 1HB PHE 30 HB2 PHE 30 2.176 -11.119 0.793 225 2HB PHE 30 HB1 PHE 30 1.130 -12.241 1.664 226 HD1 PHE 30 HD2 PHE 30 1.144 -8.672 0.491 227 HD2 PHE 30 HD1 PHE 30 -1.139 -12.252 1.142 228 HE1 PHE 30 HE2 PHE 30 -0.852 -7.578 -0.494 229 HE2 PHE 30 HE1 PHE 30 -3.135 -11.159 0.156 230 HZ PHE 30 HZ PHE 30 -2.992 -8.821 -0.662 231 H ARG 31 HN ARG 31 1.308 -12.685 4.069 232 HA ARG 31 HA ARG 31 -1.364 -12.223 5.008 233 1HB ARG 31 HB2 ARG 31 -0.173 -14.468 4.807 234 2HB ARG 31 HB1 ARG 31 0.674 -14.053 6.296 235 1HG ARG 31 HG2 ARG 31 -1.415 -13.880 7.511 236 2HG ARG 31 HG1 ARG 31 -2.343 -14.089 6.025 237 1HD ARG 31 HD2 ARG 31 -2.362 -16.241 6.990 238 2HD ARG 31 HD1 ARG 31 -1.070 -16.337 5.794 239 HE ARG 31 HE ARG 31 -0.057 -15.510 8.378 240 1HH1 ARG 31 HH21 ARG 31 -1.115 -18.235 6.501 241 2HH1 ARG 31 HH22 ARG 31 -0.151 -19.370 7.388 242 1HH2 ARG 31 HH11 ARG 31 1.188 -16.991 9.520 243 2HH2 ARG 31 HH12 ARG 31 1.145 -18.668 9.088 244 H ALA 32 HN ALA 32 1.800 -11.425 6.293 245 HA ALA 32 HA ALA 32 0.842 -10.786 8.969 246 1HB ALA 32 HB1 ALA 32 3.403 -9.993 7.547 247 2HB ALA 32 HB3 ALA 32 3.090 -9.795 9.271 248 3HB ALA 32 HB2 ALA 32 3.194 -11.411 8.573 249 H GLN 33 HN GLN 33 1.227 -9.071 5.935 250 HA GLN 33 HA GLN 33 0.533 -6.497 7.263 251 1HB GLN 33 HB2 GLN 33 1.659 -7.215 4.557 252 2HB GLN 33 HB1 GLN 33 0.963 -5.623 4.860 253 1HG GLN 33 HG2 GLN 33 3.090 -6.824 6.643 254 2HG GLN 33 HG1 GLN 33 3.483 -5.830 5.240 255 1HE2 GLN 33 HE22 GLN 33 2.685 -2.797 6.852 256 2HE2 GLN 33 HE21 GLN 33 3.277 -3.560 5.456 257 H THR 34 HN THR 34 -1.437 -8.623 6.989 258 HA THR 34 HA THR 34 -3.451 -7.119 5.407 259 HB THR 34 HB THR 34 -4.311 -9.372 4.552 260 HG1 THR 34 HG1 THR 34 -1.910 -10.527 4.542 261 1HG2 THR 34 HG22 THR 34 -1.618 -8.321 3.648 262 2HG2 THR 34 HG21 THR 34 -2.606 -9.446 2.716 263 3HG2 THR 34 HG23 THR 34 -3.201 -7.820 3.054 264 H VAL 35 HN VAL 35 -2.710 -9.613 7.800 265 HA VAL 35 HA VAL 35 -5.433 -9.954 8.713 266 HB VAL 35 HB VAL 35 -4.344 -11.013 10.709 267 1HG1 VAL 35 HG11 VAL 35 -3.290 -11.809 7.978 268 2HG1 VAL 35 HG13 VAL 35 -3.238 -12.836 9.410 269 3HG1 VAL 35 HG12 VAL 35 -4.791 -12.361 8.724 270 1HG2 VAL 35 HG23 VAL 35 -1.864 -10.002 9.293 271 2HG2 VAL 35 HG22 VAL 35 -2.364 -9.677 10.954 272 3HG2 VAL 35 HG21 VAL 35 -1.817 -11.291 10.497 273 H GLY 36 HN GLY 36 -6.593 -8.549 9.924 274 1HA GLY 36 HA2 GLY 36 -7.025 -7.003 11.678 275 2HA GLY 36 HA1 GLY 36 -5.290 -6.898 11.977 276 H LYS 37 HN LYS 37 -6.788 -6.472 8.813 277 HA LYS 37 HA LYS 37 -6.613 -3.543 8.957 278 1HB LYS 37 HB2 LYS 37 -4.656 -5.225 7.399 279 2HB LYS 37 HB1 LYS 37 -5.084 -3.604 6.849 280 1HG LYS 37 HG2 LYS 37 -4.565 -2.893 9.304 281 2HG LYS 37 HG1 LYS 37 -3.696 -4.426 9.391 282 1HD LYS 37 HD2 LYS 37 -2.553 -3.672 7.192 283 2HD LYS 37 HD1 LYS 37 -3.153 -2.063 7.597 284 1HE LYS 37 HE2 LYS 37 -2.091 -2.551 9.945 285 2HE LYS 37 HE1 LYS 37 -1.153 -3.758 9.066 286 1HZ LYS 37 HZ3 LYS 37 -1.132 -1.433 7.547 287 2HZ LYS 37 HZ2 LYS 37 -0.794 -0.968 9.145 288 3HZ LYS 37 HZ1 LYS 37 0.166 -2.140 8.378 289 H ILE 38 HN ILE 38 -7.294 -2.585 6.795 290 HA ILE 38 HA ILE 38 -9.498 -4.222 5.695 291 HB ILE 38 HB ILE 38 -8.755 -1.345 5.084 292 1HG1 ILE 38 HG12 ILE 38 -10.845 -2.380 7.022 293 2HG1 ILE 38 HG11 ILE 38 -9.245 -1.829 7.521 294 1HG2 ILE 38 HG23 ILE 38 -11.175 -3.079 4.554 295 2HG2 ILE 38 HG22 ILE 38 -11.262 -1.317 4.521 296 3HG2 ILE 38 HG21 ILE 38 -10.211 -2.170 3.390 297 1HD1 ILE 38 HD12 ILE 38 -9.791 0.341 6.239 298 2HD1 ILE 38 HD11 ILE 38 -11.462 -0.224 6.245 299 3HD1 ILE 38 HD13 ILE 38 -10.628 0.081 7.769 300 H MET 39 HN MET 39 -8.605 -5.672 4.237 301 HA MET 39 HA MET 39 -6.484 -4.959 2.395 302 1HB MET 39 HB2 MET 39 -7.102 -7.309 3.238 303 2HB MET 39 HB1 MET 39 -8.410 -7.263 2.055 304 1HG MET 39 HG2 MET 39 -5.653 -6.541 1.145 305 2HG MET 39 HG1 MET 39 -6.027 -8.244 1.408 306 1HE MET 39 HE3 MET 39 -7.531 -9.483 0.629 307 2HE MET 39 HE2 MET 39 -9.044 -8.961 -0.107 308 3HE MET 39 HE1 MET 39 -7.741 -9.568 -1.126 309 H VAL 40 HN VAL 40 -6.660 -4.120 0.353 310 HA VAL 40 HA VAL 40 -9.351 -4.028 -0.924 311 HB VAL 40 HB VAL 40 -7.486 -1.644 -0.741 312 1HG1 VAL 40 HG11 VAL 40 -10.261 -2.075 -1.872 313 2HG1 VAL 40 HG13 VAL 40 -9.584 -0.475 -1.570 314 3HG1 VAL 40 HG12 VAL 40 -8.818 -1.550 -2.738 315 1HG2 VAL 40 HG23 VAL 40 -9.865 -2.502 0.890 316 2HG2 VAL 40 HG22 VAL 40 -8.339 -1.806 1.437 317 3HG2 VAL 40 HG21 VAL 40 -9.541 -0.786 0.646 318 H VAL 41 HN VAL 41 -9.108 -4.963 -2.884 319 HA VAL 41 HA VAL 41 -6.627 -4.370 -4.440 320 HB VAL 41 HB VAL 41 -6.708 -6.732 -5.281 321 1HG1 VAL 41 HG13 VAL 41 -6.193 -5.987 -2.432 322 2HG1 VAL 41 HG12 VAL 41 -6.127 -7.695 -2.861 323 3HG1 VAL 41 HG11 VAL 41 -5.063 -6.542 -3.667 324 1HG2 VAL 41 HG23 VAL 41 -9.199 -6.909 -4.511 325 2HG2 VAL 41 HG22 VAL 41 -8.165 -8.328 -4.350 326 3HG2 VAL 41 HG21 VAL 41 -8.511 -7.326 -2.941 327 H GLY 42 HN GLY 42 -7.173 -5.500 -6.805 328 1HA GLY 42 HA2 GLY 42 -9.636 -4.078 -7.672 329 2HA GLY 42 HA1 GLY 42 -8.315 -4.574 -8.730 330 H ARG 43 HN ARG 43 -10.270 -5.436 -9.975 331 HA ARG 43 HA ARG 43 -11.538 -7.850 -8.899 332 1HB ARG 43 HB2 ARG 43 -12.559 -7.981 -11.189 333 2HB ARG 43 HB1 ARG 43 -12.839 -6.434 -10.389 334 1HG ARG 43 HG2 ARG 43 -10.849 -5.510 -11.608 335 2HG ARG 43 HG1 ARG 43 -10.744 -7.029 -12.497 336 1HD ARG 43 HD2 ARG 43 -13.029 -6.695 -13.357 337 2HD ARG 43 HD1 ARG 43 -13.149 -5.181 -12.460 338 HE ARG 43 HE ARG 43 -10.835 -5.164 -14.186 339 1HH1 ARG 43 HH11 ARG 43 -14.295 -4.859 -14.144 340 2HH1 ARG 43 HH12 ARG 43 -14.344 -3.866 -15.563 341 1HH2 ARG 43 HH21 ARG 43 -10.911 -3.875 -16.025 342 2HH2 ARG 43 HH22 ARG 43 -12.437 -3.313 -16.622 343 H ARG 44 HN ARG 44 -8.938 -7.047 -11.148 344 HA ARG 44 HA ARG 44 -8.576 -9.739 -12.146 345 1HB ARG 44 HB2 ARG 44 -6.715 -7.347 -12.072 346 2HB ARG 44 HB1 ARG 44 -6.352 -8.855 -12.913 347 1HG ARG 44 HG2 ARG 44 -8.548 -8.545 -14.163 348 2HG ARG 44 HG1 ARG 44 -8.608 -6.919 -13.483 349 1HD ARG 44 HD2 ARG 44 -7.581 -6.849 -15.707 350 2HD ARG 44 HD1 ARG 44 -6.381 -6.444 -14.481 351 HE ARG 44 HE ARG 44 -6.434 -9.286 -15.174 352 1HH1 ARG 44 HH11 ARG 44 -5.157 -6.141 -15.914 353 2HH1 ARG 44 HH12 ARG 44 -3.743 -6.767 -16.693 354 1HH2 ARG 44 HH21 ARG 44 -4.594 -10.087 -16.188 355 2HH2 ARG 44 HH22 ARG 44 -3.426 -8.991 -16.847 356 H THR 45 HN THR 45 -7.157 -7.861 -9.494 357 HA THR 45 HA THR 45 -5.247 -9.932 -8.764 358 HB THR 45 HB THR 45 -6.271 -7.686 -7.010 359 HG1 THR 45 HG1 THR 45 -5.534 -6.563 -8.660 360 1HG2 THR 45 HG22 THR 45 -3.768 -9.376 -7.094 361 2HG2 THR 45 HG21 THR 45 -3.859 -7.866 -6.188 362 3HG2 THR 45 HG23 THR 45 -4.922 -9.210 -5.771 363 H TYR 46 HN TYR 46 -8.566 -9.172 -7.961 364 HA TYR 46 HA TYR 46 -8.775 -10.706 -5.547 365 1HB TYR 46 HB2 TYR 46 -10.464 -9.026 -6.479 366 2HB TYR 46 HB1 TYR 46 -10.991 -10.309 -7.569 367 HD1 TYR 46 HD1 TYR 46 -10.343 -9.649 -3.936 368 HD2 TYR 46 HD2 TYR 46 -12.605 -11.846 -6.852 369 HE1 TYR 46 HE1 TYR 46 -11.736 -10.616 -2.127 370 HE2 TYR 46 HE2 TYR 46 -13.999 -12.813 -5.042 371 HH TYR 46 HH TYR 46 -13.232 -13.024 -2.049 372 H GLU 47 HN GLU 47 -9.283 -11.546 -8.970 373 HA GLU 47 HA GLU 47 -10.034 -14.294 -8.386 374 1HB GLU 47 HB2 GLU 47 -9.215 -12.855 -10.920 375 2HB GLU 47 HB1 GLU 47 -9.608 -14.574 -10.890 376 1HG GLU 47 HG2 GLU 47 -11.840 -14.108 -10.057 377 2HG GLU 47 HG1 GLU 47 -11.460 -12.392 -9.893 378 H SER 48 HN SER 48 -7.041 -12.579 -8.807 379 HA SER 48 HA SER 48 -5.354 -14.753 -9.588 380 1HB SER 48 HB2 SER 48 -4.796 -12.223 -8.025 381 2HB SER 48 HB1 SER 48 -3.533 -13.355 -8.499 382 HG SER 48 HG SER 48 -4.833 -11.486 -9.968 383 H PHE 49 HN PHE 49 -6.777 -13.859 -6.529 384 HA PHE 49 HA PHE 49 -5.019 -15.317 -4.795 385 1HB PHE 49 HB2 PHE 49 -7.941 -14.560 -4.528 386 2HB PHE 49 HB1 PHE 49 -7.009 -15.310 -3.233 387 HD1 PHE 49 HD2 PHE 49 -4.470 -14.108 -3.157 388 HD2 PHE 49 HD1 PHE 49 -8.207 -12.272 -4.212 389 HE1 PHE 49 HE2 PHE 49 -3.558 -11.889 -2.525 390 HE2 PHE 49 HE1 PHE 49 -7.295 -10.054 -3.580 391 HZ PHE 49 HZ PHE 49 -4.971 -9.862 -2.737 392 HA PRO 50 HA PRO 50 -6.311 -19.523 -5.461 393 1HB PRO 50 HB2 PRO 50 -5.943 -20.472 -2.849 394 2HB PRO 50 HB1 PRO 50 -4.696 -20.357 -4.099 395 1HG PRO 50 HG2 PRO 50 -4.916 -18.845 -1.680 396 2HG PRO 50 HG1 PRO 50 -3.666 -18.742 -2.928 397 1HD PRO 50 HD2 PRO 50 -5.927 -16.954 -2.437 398 2HD PRO 50 HD1 PRO 50 -4.492 -16.695 -3.443 399 H LYS 51 HN LYS 51 -7.436 -18.577 -2.188 400 HA LYS 51 HA LYS 51 -10.161 -19.534 -2.970 401 1HB LYS 51 HB2 LYS 51 -8.669 -20.890 -1.221 402 2HB LYS 51 HB1 LYS 51 -9.283 -19.661 -0.114 403 1HG LYS 51 HG2 LYS 51 -11.208 -21.036 -1.958 404 2HG LYS 51 HG1 LYS 51 -10.650 -21.890 -0.519 405 1HD LYS 51 HD2 LYS 51 -11.360 -19.978 0.884 406 2HD LYS 51 HD1 LYS 51 -11.948 -19.149 -0.558 407 1HE LYS 51 HE2 LYS 51 -13.786 -20.309 0.629 408 2HE LYS 51 HE1 LYS 51 -13.534 -20.981 -0.982 409 1HZ LYS 51 HZ3 LYS 51 -12.177 -22.130 1.374 410 2HZ LYS 51 HZ2 LYS 51 -13.763 -22.588 0.972 411 3HZ LYS 51 HZ1 LYS 51 -12.494 -22.853 -0.128 412 H ARG 52 HN ARG 52 -11.193 -17.585 -3.266 413 HA ARG 52 HA ARG 52 -10.849 -15.483 -1.176 414 1HB ARG 52 HB2 ARG 52 -11.961 -13.994 -2.862 415 2HB ARG 52 HB1 ARG 52 -10.443 -14.684 -3.438 416 1HG ARG 52 HG2 ARG 52 -12.883 -16.287 -3.980 417 2HG ARG 52 HG1 ARG 52 -12.743 -14.771 -4.871 418 1HD ARG 52 HD2 ARG 52 -10.415 -15.463 -5.537 419 2HD ARG 52 HD1 ARG 52 -10.731 -17.036 -4.803 420 HE ARG 52 HE ARG 52 -11.877 -16.042 -7.321 421 1HH1 ARG 52 HH11 ARG 52 -12.051 -18.325 -4.707 422 2HH1 ARG 52 HH12 ARG 52 -12.977 -19.474 -5.616 423 1HH2 ARG 52 HH21 ARG 52 -13.078 -17.539 -8.489 424 2HH2 ARG 52 HH22 ARG 52 -13.555 -19.030 -7.746 425 HA PRO 53 HA PRO 53 -12.026 -13.523 -0.842 426 1HB PRO 53 HB2 PRO 53 -13.346 -12.727 1.502 427 2HB PRO 53 HB1 PRO 53 -13.720 -12.185 -0.140 428 1HG PRO 53 HG2 PRO 53 -15.302 -13.837 1.577 429 2HG PRO 53 HG1 PRO 53 -15.676 -13.283 -0.060 430 1HD PRO 53 HD2 PRO 53 -14.748 -15.910 0.826 431 2HD PRO 53 HD1 PRO 53 -15.445 -15.435 -0.731 432 H LEU 54 HN LEU 54 -10.423 -12.913 0.760 433 HA LEU 54 HA LEU 54 -9.360 -15.151 2.251 434 1HB LEU 54 HB2 LEU 54 -8.565 -12.231 2.407 435 2HB LEU 54 HB1 LEU 54 -7.593 -13.613 2.915 436 HG LEU 54 HG LEU 54 -8.579 -13.213 0.078 437 1HD1 LEU 54 HD12 LEU 54 -6.981 -11.422 0.871 438 2HD1 LEU 54 HD11 LEU 54 -5.801 -12.698 1.173 439 3HD1 LEU 54 HD13 LEU 54 -6.374 -12.396 -0.467 440 1HD2 LEU 54 HD22 LEU 54 -6.709 -15.138 1.463 441 2HD2 LEU 54 HD21 LEU 54 -8.087 -15.505 0.426 442 3HD2 LEU 54 HD23 LEU 54 -6.607 -14.852 -0.274 443 HA PRO 55 HA PRO 55 -11.687 -14.252 6.011 444 1HB PRO 55 HB2 PRO 55 -10.495 -16.265 7.520 445 2HB PRO 55 HB1 PRO 55 -11.915 -16.466 6.483 446 1HG PRO 55 HG2 PRO 55 -9.255 -17.512 6.115 447 2HG PRO 55 HG1 PRO 55 -10.712 -17.827 5.164 448 1HD PRO 55 HD2 PRO 55 -8.465 -16.104 4.520 449 2HD PRO 55 HD1 PRO 55 -9.826 -16.592 3.496 450 H GLU 56 HN GLU 56 -11.087 -13.901 8.401 451 HA GLU 56 HA GLU 56 -9.825 -12.746 10.002 452 1HB GLU 56 HB2 GLU 56 -7.435 -13.768 8.437 453 2HB GLU 56 HB1 GLU 56 -7.450 -13.231 10.118 454 1HG GLU 56 HG2 GLU 56 -8.958 -15.070 10.718 455 2HG GLU 56 HG1 GLU 56 -9.015 -15.593 9.034 456 H ARG 57 HN ARG 57 -10.589 -11.475 7.392 457 HA ARG 57 HA ARG 57 -9.324 -8.945 7.779 458 1HB ARG 57 HB2 ARG 57 -8.002 -8.841 5.664 459 2HB ARG 57 HB1 ARG 57 -7.343 -10.000 6.817 460 1HG ARG 57 HG2 ARG 57 -8.912 -11.699 5.541 461 2HG ARG 57 HG1 ARG 57 -8.803 -10.507 4.246 462 1HD ARG 57 HD2 ARG 57 -6.971 -11.877 3.775 463 2HD ARG 57 HD1 ARG 57 -6.226 -10.607 4.745 464 HE ARG 57 HE ARG 57 -7.052 -12.607 6.552 465 1HH1 ARG 57 HH21 ARG 57 -4.884 -12.255 3.860 466 2HH1 ARG 57 HH22 ARG 57 -3.779 -13.456 4.440 467 1HH2 ARG 57 HH11 ARG 57 -5.611 -14.163 7.294 468 2HH2 ARG 57 HH12 ARG 57 -4.190 -14.530 6.375 469 H THR 58 HN THR 58 -10.165 -7.337 6.288 470 HA THR 58 HA THR 58 -12.760 -8.127 5.151 471 HB THR 58 HB THR 58 -11.501 -5.384 5.009 472 HG1 THR 58 HG1 THR 58 -13.119 -5.503 7.048 473 1HG2 THR 58 HG23 THR 58 -14.326 -6.465 5.038 474 2HG2 THR 58 HG22 THR 58 -13.947 -4.754 5.229 475 3HG2 THR 58 HG21 THR 58 -13.524 -5.589 3.735 476 H ASN 59 HN ASN 59 -13.169 -8.381 2.991 477 HA ASN 59 HA ASN 59 -10.882 -7.959 1.121 478 1HB ASN 59 HB2 ASN 59 -13.267 -9.807 1.092 479 2HB ASN 59 HB1 ASN 59 -12.358 -9.469 -0.381 480 1HD2 ASN 59 HD22 ASN 59 -10.150 -11.184 2.638 481 2HD2 ASN 59 HD21 ASN 59 -11.210 -9.911 3.008 482 H VAL 60 HN VAL 60 -11.093 -5.918 0.282 483 HA VAL 60 HA VAL 60 -13.804 -5.027 -0.593 484 HB VAL 60 HB VAL 60 -11.268 -3.387 -0.309 485 1HG1 VAL 60 HG12 VAL 60 -14.189 -2.660 -0.681 486 2HG1 VAL 60 HG11 VAL 60 -12.911 -1.497 -0.325 487 3HG1 VAL 60 HG13 VAL 60 -12.885 -2.400 -1.840 488 1HG2 VAL 60 HG22 VAL 60 -13.613 -3.755 1.582 489 2HG2 VAL 60 HG21 VAL 60 -11.949 -4.261 1.873 490 3HG2 VAL 60 HG23 VAL 60 -12.346 -2.545 1.779 491 H VAL 61 HN VAL 61 -14.111 -4.318 -2.747 492 HA VAL 61 HA VAL 61 -11.844 -4.743 -4.637 493 HB VAL 61 HB VAL 61 -14.656 -5.789 -5.087 494 1HG1 VAL 61 HG13 VAL 61 -12.058 -6.009 -6.632 495 2HG1 VAL 61 HG12 VAL 61 -13.481 -6.993 -6.973 496 3HG1 VAL 61 HG11 VAL 61 -13.554 -5.241 -7.165 497 1HG2 VAL 61 HG21 VAL 61 -12.098 -7.219 -4.297 498 2HG2 VAL 61 HG23 VAL 61 -13.577 -7.106 -3.343 499 3HG2 VAL 61 HG22 VAL 61 -13.564 -8.035 -4.842 500 H LEU 62 HN LEU 62 -11.616 -2.895 -5.780 501 HA LEU 62 HA LEU 62 -13.958 -1.083 -6.072 502 1HB LEU 62 HB2 LEU 62 -11.748 -0.231 -5.167 503 2HB LEU 62 HB1 LEU 62 -11.063 -0.520 -6.767 504 HG LEU 62 HG LEU 62 -13.072 0.899 -7.628 505 1HD1 LEU 62 HD11 LEU 62 -13.049 1.452 -4.664 506 2HD1 LEU 62 HD13 LEU 62 -13.583 2.685 -5.807 507 3HD1 LEU 62 HD12 LEU 62 -14.429 1.140 -5.719 508 1HD2 LEU 62 HD22 LEU 62 -10.700 2.000 -6.102 509 2HD2 LEU 62 HD21 LEU 62 -10.837 1.736 -7.840 510 3HD2 LEU 62 HD23 LEU 62 -11.764 3.023 -7.067 511 H THR 63 HN THR 63 -15.080 -1.282 -7.939 512 HA THR 63 HA THR 63 -13.566 -1.714 -10.469 513 HB THR 63 HB THR 63 -14.425 -3.910 -9.872 514 HG1 THR 63 HG1 THR 63 -16.252 -3.846 -11.605 515 1HG2 THR 63 HG23 THR 63 -16.196 -2.981 -8.319 516 2HG2 THR 63 HG22 THR 63 -17.175 -2.653 -9.748 517 3HG2 THR 63 HG21 THR 63 -16.735 -4.312 -9.343 518 H HIS 64 HN HIS 64 -14.384 -0.539 -12.192 519 HA HIS 64 HA HIS 64 -16.380 1.513 -11.561 520 1HB HIS 64 HB2 HIS 64 -15.910 2.277 -13.907 521 2HB HIS 64 HB1 HIS 64 -14.463 2.161 -12.907 522 HD1 HIS 64 HD1 HIS 64 -12.651 0.571 -13.669 523 HD2 HIS 64 HD2 HIS 64 -16.216 0.016 -15.757 524 HE1 HIS 64 HE1 HIS 64 -12.142 -1.067 -15.533 525 H GLN 65 HN GLN 65 -16.252 -1.526 -13.283 526 HA GLN 65 HA GLN 65 -18.688 -1.155 -14.802 527 1HB GLN 65 HB2 GLN 65 -17.276 -3.696 -13.930 528 2HB GLN 65 HB1 GLN 65 -18.571 -3.613 -15.126 529 1HG GLN 65 HG2 GLN 65 -17.074 -1.899 -16.349 530 2HG GLN 65 HG1 GLN 65 -15.775 -2.493 -15.314 531 1HE2 GLN 65 HE22 GLN 65 -16.482 -4.553 -18.584 532 2HE2 GLN 65 HE21 GLN 65 -16.764 -2.894 -18.358 533 H GLU 66 HN GLU 66 -20.789 -1.594 -14.203 534 HA GLU 66 HA GLU 66 -21.261 -2.162 -11.332 535 1HB GLU 66 HB2 GLU 66 -22.390 -0.264 -12.724 536 2HB GLU 66 HB1 GLU 66 -23.414 -1.557 -13.350 537 1HG GLU 66 HG2 GLU 66 -23.822 -2.202 -10.898 538 2HG GLU 66 HG1 GLU 66 -23.112 -0.641 -10.486 539 H ASP 67 HN ASP 67 -20.375 -4.283 -13.180 540 HA ASP 67 HA ASP 67 -22.775 -6.065 -13.006 541 1HB ASP 67 HB2 ASP 67 -21.855 -5.438 -15.352 542 2HB ASP 67 HB1 ASP 67 -20.506 -6.500 -14.945 543 H TYR 68 HN TYR 68 -19.310 -5.700 -12.520 544 HA TYR 68 HA TYR 68 -18.773 -8.426 -11.764 545 1HB TYR 68 HB2 TYR 68 -17.073 -6.609 -12.385 546 2HB TYR 68 HB1 TYR 68 -17.286 -5.998 -10.745 547 HD1 TYR 68 HD1 TYR 68 -16.160 -8.890 -12.768 548 HD2 TYR 68 HD2 TYR 68 -16.409 -7.179 -8.836 549 HE1 TYR 68 HE1 TYR 68 -14.592 -10.613 -11.919 550 HE2 TYR 68 HE2 TYR 68 -14.841 -8.903 -7.987 551 HH TYR 68 HH TYR 68 -13.580 -10.650 -8.497 552 H GLN 69 HN GLN 69 -18.939 -9.420 -9.771 553 HA GLN 69 HA GLN 69 -19.660 -7.784 -7.403 554 1HB GLN 69 HB2 GLN 69 -21.312 -10.108 -8.441 555 2HB GLN 69 HB1 GLN 69 -21.546 -9.329 -6.875 556 1HG GLN 69 HG2 GLN 69 -21.810 -7.137 -8.150 557 2HG GLN 69 HG1 GLN 69 -21.899 -8.108 -9.620 558 1HE2 GLN 69 HE22 GLN 69 -25.170 -9.325 -8.943 559 2HE2 GLN 69 HE21 GLN 69 -23.781 -9.513 -9.899 560 H ALA 70 HN ALA 70 -19.400 -9.012 -5.383 561 HA ALA 70 HA ALA 70 -17.844 -11.539 -5.662 562 1HB ALA 70 HB3 ALA 70 -16.296 -9.556 -5.416 563 2HB ALA 70 HB2 ALA 70 -17.023 -9.265 -3.836 564 3HB ALA 70 HB1 ALA 70 -16.141 -10.762 -4.138 565 H GLN 71 HN GLN 71 -18.555 -13.057 -4.240 566 HA GLN 71 HA GLN 71 -20.623 -12.317 -2.286 567 1HB GLN 71 HB2 GLN 71 -19.429 -14.944 -3.190 568 2HB GLN 71 HB1 GLN 71 -20.568 -14.847 -1.847 569 1HG GLN 71 HG2 GLN 71 -21.171 -13.646 -4.555 570 2HG GLN 71 HG1 GLN 71 -21.579 -15.314 -4.155 571 1HE2 GLN 71 HE22 GLN 71 -24.099 -14.363 -1.751 572 2HE2 GLN 71 HE21 GLN 71 -22.945 -15.566 -2.071 573 H GLY 72 HN GLY 72 -20.330 -12.225 -0.084 574 1HA GLY 72 HA2 GLY 72 -19.234 -12.299 1.995 575 2HA GLY 72 HA1 GLY 72 -18.124 -13.479 1.297 576 H ALA 73 HN ALA 73 -18.719 -10.220 0.053 577 HA ALA 73 HA ALA 73 -16.202 -9.194 1.171 578 1HB ALA 73 HB3 ALA 73 -15.461 -10.484 -0.824 579 2HB ALA 73 HB2 ALA 73 -16.534 -9.509 -1.828 580 3HB ALA 73 HB1 ALA 73 -15.168 -8.754 -1.006 581 H VAL 74 HN VAL 74 -15.943 -6.877 0.688 582 HA VAL 74 HA VAL 74 -18.579 -5.575 0.291 583 HB VAL 74 HB VAL 74 -15.946 -4.345 1.160 584 1HG1 VAL 74 HG11 VAL 74 -18.815 -3.409 1.078 585 2HG1 VAL 74 HG13 VAL 74 -17.639 -2.672 2.166 586 3HG1 VAL 74 HG12 VAL 74 -17.384 -2.614 0.422 587 1HG2 VAL 74 HG22 VAL 74 -18.222 -5.581 2.726 588 2HG2 VAL 74 HG21 VAL 74 -16.505 -5.973 2.819 589 3HG2 VAL 74 HG23 VAL 74 -17.093 -4.434 3.449 590 H VAL 75 HN VAL 75 -18.791 -5.659 -1.984 591 HA VAL 75 HA VAL 75 -16.662 -4.793 -3.764 592 HB VAL 75 HB VAL 75 -19.630 -5.031 -4.343 593 1HG1 VAL 75 HG13 VAL 75 -17.922 -3.842 -5.941 594 2HG1 VAL 75 HG12 VAL 75 -17.375 -5.483 -6.280 595 3HG1 VAL 75 HG11 VAL 75 -19.046 -5.025 -6.609 596 1HG2 VAL 75 HG21 VAL 75 -17.399 -7.084 -4.443 597 2HG2 VAL 75 HG23 VAL 75 -18.847 -7.142 -3.438 598 3HG2 VAL 75 HG22 VAL 75 -18.980 -7.316 -5.188 599 H VAL 76 HN VAL 76 -16.021 -2.684 -3.531 600 HA VAL 76 HA VAL 76 -18.073 -0.573 -3.158 601 HB VAL 76 HB VAL 76 -16.077 0.917 -2.862 602 1HG1 VAL 76 HG11 VAL 76 -16.112 -1.605 -1.174 603 2HG1 VAL 76 HG13 VAL 76 -15.382 -0.070 -0.702 604 3HG1 VAL 76 HG12 VAL 76 -17.128 -0.184 -0.925 605 1HG2 VAL 76 HG21 VAL 76 -14.611 -1.712 -3.247 606 2HG2 VAL 76 HG23 VAL 76 -14.475 -0.273 -4.256 607 3HG2 VAL 76 HG22 VAL 76 -13.865 -0.249 -2.602 608 H HIS 77 HN HIS 77 -18.182 1.243 -4.617 609 HA HIS 77 HA HIS 77 -16.854 0.851 -7.258 610 1HB HIS 77 HB2 HIS 77 -19.794 1.476 -6.839 611 2HB HIS 77 HB1 HIS 77 -18.974 1.407 -8.399 612 HD1 HIS 77 HD1 HIS 77 -18.750 -0.856 -9.477 613 HD2 HIS 77 HD2 HIS 77 -19.808 -1.137 -5.454 614 HE1 HIS 77 HE1 HIS 77 -19.238 -3.302 -9.033 615 H ASP 78 HN ASP 78 -16.432 2.699 -4.949 616 HA ASP 78 HA ASP 78 -16.258 5.170 -6.498 617 1HB ASP 78 HB2 ASP 78 -18.313 4.800 -4.353 618 2HB ASP 78 HB1 ASP 78 -17.497 6.360 -4.463 619 H VAL 79 HN VAL 79 -14.802 6.662 -5.520 620 HA VAL 79 HA VAL 79 -12.848 5.492 -3.749 621 HB VAL 79 HB VAL 79 -13.219 8.419 -4.454 622 1HG1 VAL 79 HG13 VAL 79 -10.801 6.809 -3.574 623 2HG1 VAL 79 HG12 VAL 79 -10.781 8.514 -4.026 624 3HG1 VAL 79 HG11 VAL 79 -11.665 7.993 -2.592 625 1HG2 VAL 79 HG22 VAL 79 -11.649 6.240 -5.869 626 2HG2 VAL 79 HG21 VAL 79 -13.109 7.017 -6.481 627 3HG2 VAL 79 HG23 VAL 79 -11.627 7.952 -6.292 628 H ALA 80 HN ALA 80 -15.563 7.711 -3.294 629 HA ALA 80 HA ALA 80 -14.919 8.378 -0.550 630 1HB ALA 80 HB2 ALA 80 -16.443 9.707 -2.083 631 2HB ALA 80 HB1 ALA 80 -17.652 8.443 -1.856 632 3HB ALA 80 HB3 ALA 80 -17.101 9.393 -0.476 633 H ALA 81 HN ALA 81 -16.693 5.787 -2.123 634 HA ALA 81 HA ALA 81 -18.077 4.812 0.201 635 1HB ALA 81 HB2 ALA 81 -17.151 3.345 -2.290 636 2HB ALA 81 HB1 ALA 81 -18.285 2.703 -1.101 637 3HB ALA 81 HB3 ALA 81 -18.720 4.116 -2.062 638 H VAL 82 HN VAL 82 -14.874 4.154 -1.171 639 HA VAL 82 HA VAL 82 -14.213 2.002 0.629 640 HB VAL 82 HB VAL 82 -12.319 3.919 -0.761 641 1HG1 VAL 82 HG11 VAL 82 -12.001 1.083 0.269 642 2HG1 VAL 82 HG13 VAL 82 -10.781 1.967 -0.649 643 3HG1 VAL 82 HG12 VAL 82 -11.257 2.527 0.955 644 1HG2 VAL 82 HG21 VAL 82 -13.915 1.568 -1.723 645 2HG2 VAL 82 HG23 VAL 82 -13.525 3.071 -2.561 646 3HG2 VAL 82 HG22 VAL 82 -12.297 1.819 -2.379 647 H PHE 83 HN PHE 83 -13.547 5.507 0.688 648 HA PHE 83 HA PHE 83 -12.113 5.434 3.195 649 1HB PHE 83 HB2 PHE 83 -13.457 7.647 1.632 650 2HB PHE 83 HB1 PHE 83 -12.656 7.941 3.176 651 HD1 PHE 83 HD1 PHE 83 -10.253 6.607 3.306 652 HD2 PHE 83 HD2 PHE 83 -12.161 8.091 -0.245 653 HE1 PHE 83 HE1 PHE 83 -8.058 6.676 2.155 654 HE2 PHE 83 HE2 PHE 83 -9.966 8.161 -1.395 655 HZ PHE 83 HZ PHE 83 -7.914 7.453 -0.195 656 H ALA 84 HN ALA 84 -15.497 5.676 2.306 657 HA ALA 84 HA ALA 84 -16.497 6.635 4.822 658 1HB ALA 84 HB2 ALA 84 -17.705 5.116 2.518 659 2HB ALA 84 HB1 ALA 84 -18.636 5.398 3.989 660 3HB ALA 84 HB3 ALA 84 -18.037 6.765 3.049 661 H TYR 85 HN TYR 85 -15.752 3.405 3.587 662 HA TYR 85 HA TYR 85 -16.904 1.979 5.828 663 1HB TYR 85 HB2 TYR 85 -16.365 1.006 3.538 664 2HB TYR 85 HB1 TYR 85 -14.670 1.015 4.026 665 HD1 TYR 85 HD2 TYR 85 -13.856 -0.454 5.806 666 HD2 TYR 85 HD1 TYR 85 -17.978 -0.492 4.600 667 HE1 TYR 85 HE2 TYR 85 -14.194 -2.585 7.029 668 HE2 TYR 85 HE1 TYR 85 -18.317 -2.623 5.824 669 HH TYR 85 HH TYR 85 -17.108 -3.771 7.882 670 H ALA 86 HN ALA 86 -13.731 3.350 5.119 671 HA ALA 86 HA ALA 86 -12.344 2.108 7.321 672 1HB ALA 86 HB1 ALA 86 -11.779 4.650 5.769 673 2HB ALA 86 HB3 ALA 86 -10.674 3.950 6.951 674 3HB ALA 86 HB2 ALA 86 -11.075 3.058 5.482 675 H LYS 87 HN LYS 87 -14.363 4.956 7.005 676 HA LYS 87 HA LYS 87 -13.602 6.251 9.453 677 1HB LYS 87 HB2 LYS 87 -15.042 7.143 7.471 678 2HB LYS 87 HB1 LYS 87 -16.388 6.379 8.316 679 1HG LYS 87 HG2 LYS 87 -16.096 7.738 10.241 680 2HG LYS 87 HG1 LYS 87 -14.492 8.262 9.724 681 1HD LYS 87 HD2 LYS 87 -15.450 9.516 7.868 682 2HD LYS 87 HD1 LYS 87 -17.062 8.913 8.253 683 1HE LYS 87 HE2 LYS 87 -16.926 11.107 9.205 684 2HE LYS 87 HE1 LYS 87 -16.779 9.975 10.550 685 1HZ LYS 87 HZ2 LYS 87 -14.348 10.883 9.176 686 2HZ LYS 87 HZ1 LYS 87 -15.101 11.927 10.286 687 3HZ LYS 87 HZ3 LYS 87 -14.560 10.402 10.792 688 H GLN 88 HN GLN 88 -16.048 3.799 8.675 689 HA GLN 88 HA GLN 88 -17.253 3.741 11.290 690 1HB GLN 88 HB2 GLN 88 -17.175 1.797 8.980 691 2HB GLN 88 HB1 GLN 88 -17.979 1.390 10.497 692 1HG GLN 88 HG2 GLN 88 -19.428 3.345 10.297 693 2HG GLN 88 HG1 GLN 88 -18.579 3.857 8.837 694 1HE2 GLN 88 HE22 GLN 88 -21.593 1.243 8.493 695 2HE2 GLN 88 HE21 GLN 88 -21.289 2.138 9.903 696 H HIS 89 HN HIS 89 -14.466 2.139 9.855 697 HA HIS 89 HA HIS 89 -13.924 0.870 12.511 698 1HB HIS 89 HB2 HIS 89 -13.496 -0.149 9.708 699 2HB HIS 89 HB1 HIS 89 -12.516 -0.758 11.042 700 HD1 HIS 89 HD1 HIS 89 -13.496 -2.734 12.186 701 HD2 HIS 89 HD2 HIS 89 -16.455 -0.344 10.480 702 HE1 HIS 89 HE1 HIS 89 -15.702 -3.898 12.630 703 HA PRO 90 HA PRO 90 -10.442 3.795 11.764 704 1HB PRO 90 HB2 PRO 90 -10.368 4.566 14.454 705 2HB PRO 90 HB1 PRO 90 -11.181 5.438 13.148 706 1HG PRO 90 HG2 PRO 90 -12.365 4.055 15.358 707 2HG PRO 90 HG1 PRO 90 -13.172 4.953 14.065 708 1HD PRO 90 HD2 PRO 90 -12.884 2.062 14.395 709 2HD PRO 90 HD1 PRO 90 -13.954 2.964 13.310 710 H ASP 91 HN ASP 91 -10.991 1.200 14.017 711 HA ASP 91 HA ASP 91 -8.373 1.060 15.187 712 1HB ASP 91 HB2 ASP 91 -10.522 -1.023 14.730 713 2HB ASP 91 HB1 ASP 91 -9.018 -1.374 15.582 714 H GLN 92 HN GLN 92 -9.667 0.052 12.104 715 HA GLN 92 HA GLN 92 -7.199 -1.487 11.490 716 1HB GLN 92 HB2 GLN 92 -9.799 -1.134 9.969 717 2HB GLN 92 HB1 GLN 92 -8.431 -2.082 9.387 718 1HG GLN 92 HG2 GLN 92 -8.562 -3.425 11.523 719 2HG GLN 92 HG1 GLN 92 -10.068 -2.581 11.885 720 1HE2 GLN 92 HE22 GLN 92 -10.110 -5.655 9.277 721 2HE2 GLN 92 HE21 GLN 92 -8.726 -5.243 10.169 722 H GLU 93 HN GLU 93 -6.562 -1.080 9.006 723 HA GLU 93 HA GLU 93 -6.569 1.849 8.457 724 1HB GLU 93 HB2 GLU 93 -4.186 0.043 8.809 725 2HB GLU 93 HB1 GLU 93 -4.085 1.451 7.751 726 1HG GLU 93 HG2 GLU 93 -3.408 2.365 9.785 727 2HG GLU 93 HG1 GLU 93 -5.138 2.709 9.810 728 H LEU 94 HN LEU 94 -6.326 2.361 6.220 729 HA LEU 94 HA LEU 94 -7.289 0.295 4.406 730 1HB LEU 94 HB2 LEU 94 -7.806 2.823 4.327 731 2HB LEU 94 HB1 LEU 94 -6.216 2.994 3.581 732 HG LEU 94 HG LEU 94 -6.988 1.160 1.941 733 1HD1 LEU 94 HD11 LEU 94 -9.560 1.898 3.333 734 2HD1 LEU 94 HD13 LEU 94 -9.562 1.312 1.669 735 3HD1 LEU 94 HD12 LEU 94 -8.932 0.292 2.963 736 1HD2 LEU 94 HD22 LEU 94 -7.981 3.993 2.068 737 2HD2 LEU 94 HD21 LEU 94 -6.782 3.283 0.988 738 3HD2 LEU 94 HD23 LEU 94 -8.497 2.956 0.739 739 H VAL 95 HN VAL 95 -6.089 -0.914 2.985 740 HA VAL 95 HA VAL 95 -3.243 -0.174 2.526 741 HB VAL 95 HB VAL 95 -4.141 -2.965 3.301 742 1HG1 VAL 95 HG13 VAL 95 -2.160 -2.789 1.789 743 2HG1 VAL 95 HG12 VAL 95 -1.375 -1.758 2.986 744 3HG1 VAL 95 HG11 VAL 95 -1.747 -3.437 3.376 745 1HG2 VAL 95 HG22 VAL 95 -2.789 -0.765 4.889 746 2HG2 VAL 95 HG21 VAL 95 -4.301 -1.588 5.268 747 3HG2 VAL 95 HG23 VAL 95 -2.772 -2.457 5.384 748 H ILE 96 HN ILE 96 -2.891 -0.198 0.368 749 HA ILE 96 HA ILE 96 -4.763 -1.714 -1.372 750 HB ILE 96 HB ILE 96 -2.614 0.274 -2.161 751 1HG1 ILE 96 HG12 ILE 96 -4.276 1.330 -0.667 752 2HG1 ILE 96 HG11 ILE 96 -4.452 1.920 -2.318 753 1HG2 ILE 96 HG23 ILE 96 -3.399 -1.266 -3.942 754 2HG2 ILE 96 HG22 ILE 96 -5.058 -0.751 -3.637 755 3HG2 ILE 96 HG21 ILE 96 -3.876 0.402 -4.259 756 1HD1 ILE 96 HD13 ILE 96 -6.261 0.173 -2.646 757 2HD1 ILE 96 HD12 ILE 96 -6.173 -0.142 -0.913 758 3HD1 ILE 96 HD11 ILE 96 -6.668 1.447 -1.497 759 H ALA 97 HN ALA 97 -4.042 -3.336 -2.764 760 HA ALA 97 HA ALA 97 -1.178 -4.152 -2.452 761 1HB ALA 97 HB1 ALA 97 -3.709 -5.698 -2.250 762 2HB ALA 97 HB3 ALA 97 -2.383 -6.483 -3.108 763 3HB ALA 97 HB2 ALA 97 -2.165 -5.957 -1.439 764 H GLY 98 HN GLY 98 -3.935 -3.782 -4.600 765 1HA GLY 98 HA2 GLY 98 -2.563 -3.147 -6.915 766 2HA GLY 98 HA1 GLY 98 -2.599 -4.911 -6.929 767 H GLY 99 HN GLY 99 -5.664 -3.941 -8.748 768 1HA GLY 99 HA2 GLY 99 -2.784 -4.521 -8.997 769 2HA GLY 99 HA1 GLY 99 -3.934 -4.372 -10.326 770 H ALA 100 HN ALA 100 -2.521 -2.928 -11.462 771 HA ALA 100 HA ALA 100 -1.503 -0.495 -10.299 772 1HB ALA 100 HB2 ALA 100 -0.564 -1.539 -12.356 773 2HB ALA 100 HB1 ALA 100 -2.046 -1.126 -13.217 774 3HB ALA 100 HB3 ALA 100 -0.996 0.152 -12.606 775 H GLN 101 HN GLN 101 -4.553 -1.399 -11.740 776 HA GLN 101 HA GLN 101 -5.501 1.264 -12.312 777 1HB GLN 101 HB2 GLN 101 -7.027 -1.293 -11.728 778 2HB GLN 101 HB1 GLN 101 -7.746 0.187 -12.365 779 1HG GLN 101 HG2 GLN 101 -6.216 0.064 -14.320 780 2HG GLN 101 HG1 GLN 101 -5.571 -1.455 -13.697 781 1HE2 GLN 101 HE22 GLN 101 -8.331 -3.385 -14.785 782 2HE2 GLN 101 HE21 GLN 101 -6.869 -3.369 -13.925 783 H ILE 102 HN ILE 102 -5.493 -0.770 -9.439 784 HA ILE 102 HA ILE 102 -7.322 0.924 -7.934 785 HB ILE 102 HB ILE 102 -5.318 -1.096 -6.890 786 1HG1 ILE 102 HG12 ILE 102 -6.800 -2.112 -8.586 787 2HG1 ILE 102 HG11 ILE 102 -7.190 -2.709 -6.975 788 1HG2 ILE 102 HG22 ILE 102 -6.279 0.434 -5.198 789 2HG2 ILE 102 HG21 ILE 102 -7.902 -0.020 -5.720 790 3HG2 ILE 102 HG23 ILE 102 -6.849 -1.219 -4.971 791 1HD1 ILE 102 HD13 ILE 102 -9.030 -1.029 -6.833 792 2HD1 ILE 102 HD12 ILE 102 -8.672 -0.534 -8.488 793 3HD1 ILE 102 HD11 ILE 102 -9.257 -2.165 -8.162 794 H PHE 103 HN PHE 103 -3.792 0.573 -8.160 795 HA PHE 103 HA PHE 103 -3.125 2.399 -6.063 796 1HB PHE 103 HB2 PHE 103 -1.637 1.581 -8.571 797 2HB PHE 103 HB1 PHE 103 -0.936 2.614 -7.327 798 HD1 PHE 103 HD2 PHE 103 -1.703 1.553 -4.811 799 HD2 PHE 103 HD1 PHE 103 -0.820 -0.593 -8.425 800 HE1 PHE 103 HE2 PHE 103 -1.116 -0.452 -3.476 801 HE2 PHE 103 HE1 PHE 103 -0.232 -2.598 -7.090 802 HZ PHE 103 HZ PHE 103 -0.380 -2.528 -4.616 803 H THR 104 HN THR 104 -3.502 2.902 -9.579 804 HA THR 104 HA THR 104 -2.971 5.723 -9.511 805 HB THR 104 HB THR 104 -4.506 5.519 -11.699 806 HG1 THR 104 HG1 THR 104 -4.761 3.502 -12.352 807 1HG2 THR 104 HG21 THR 104 -1.694 4.568 -11.201 808 2HG2 THR 104 HG23 THR 104 -2.387 4.519 -12.821 809 3HG2 THR 104 HG22 THR 104 -2.236 6.058 -11.973 810 H ALA 105 HN ALA 105 -5.774 3.817 -8.737 811 HA ALA 105 HA ALA 105 -7.688 6.006 -8.975 812 1HB ALA 105 HB1 ALA 105 -8.398 3.646 -9.175 813 2HB ALA 105 HB3 ALA 105 -7.904 3.358 -7.507 814 3HB ALA 105 HB2 ALA 105 -9.242 4.453 -7.854 815 H PHE 106 HN PHE 106 -5.606 4.699 -6.469 816 HA PHE 106 HA PHE 106 -6.731 6.703 -4.552 817 1HB PHE 106 HB2 PHE 106 -5.451 4.003 -4.137 818 2HB PHE 106 HB1 PHE 106 -5.517 5.190 -2.834 819 HD1 PHE 106 HD1 PHE 106 -7.837 6.240 -2.313 820 HD2 PHE 106 HD2 PHE 106 -7.302 2.620 -4.563 821 HE1 PHE 106 HE1 PHE 106 -10.190 5.604 -1.850 822 HE2 PHE 106 HE2 PHE 106 -9.653 1.985 -4.101 823 HZ PHE 106 HZ PHE 106 -11.097 3.476 -2.744 824 H LYS 107 HN LYS 107 -4.522 6.866 -6.703 825 HA LYS 107 HA LYS 107 -1.992 7.107 -5.393 826 1HB LYS 107 HB2 LYS 107 -1.389 8.550 -7.353 827 2HB LYS 107 HB1 LYS 107 -2.126 7.017 -7.821 828 1HG LYS 107 HG2 LYS 107 -4.352 8.237 -7.897 829 2HG LYS 107 HG1 LYS 107 -3.446 9.739 -7.720 830 1HD LYS 107 HD2 LYS 107 -2.830 7.724 -9.890 831 2HD LYS 107 HD1 LYS 107 -3.983 9.040 -10.120 832 1HE LYS 107 HE2 LYS 107 -2.253 10.691 -9.615 833 2HE LYS 107 HE1 LYS 107 -1.093 9.406 -9.280 834 1HZ LYS 107 HZ3 LYS 107 -2.248 8.959 -11.799 835 2HZ LYS 107 HZ2 LYS 107 -1.704 10.568 -11.739 836 3HZ LYS 107 HZ1 LYS 107 -0.627 9.291 -11.425 837 H ASP 108 HN ASP 108 -4.659 9.392 -5.850 838 HA ASP 108 HA ASP 108 -3.172 11.616 -4.658 839 1HB ASP 108 HB2 ASP 108 -5.189 11.637 -6.381 840 2HB ASP 108 HB1 ASP 108 -6.158 11.617 -4.908 841 H ASP 109 HN ASP 109 -3.520 9.122 -3.074 842 HA ASP 109 HA ASP 109 -4.365 10.390 -0.578 843 1HB ASP 109 HB2 ASP 109 -6.018 8.271 -1.926 844 2HB ASP 109 HB1 ASP 109 -5.951 8.338 -0.164 845 H VAL 110 HN VAL 110 -1.949 9.160 -1.693 846 HA VAL 110 HA VAL 110 -1.686 6.643 -0.146 847 HB VAL 110 HB VAL 110 -0.799 6.690 -2.447 848 1HG1 VAL 110 HG13 VAL 110 0.833 8.992 -1.362 849 2HG1 VAL 110 HG12 VAL 110 1.295 8.108 -2.817 850 3HG1 VAL 110 HG11 VAL 110 -0.234 8.984 -2.766 851 1HG2 VAL 110 HG22 VAL 110 0.382 5.521 -0.386 852 2HG2 VAL 110 HG21 VAL 110 1.171 5.549 -1.962 853 3HG2 VAL 110 HG23 VAL 110 1.652 6.699 -0.714 854 H ASP 111 HN ASP 111 0.012 6.407 1.445 855 HA ASP 111 HA ASP 111 1.200 8.941 2.463 856 1HB ASP 111 HB2 ASP 111 -0.192 6.897 4.220 857 2HB ASP 111 HB1 ASP 111 0.550 8.408 4.748 858 H THR 112 HN THR 112 1.037 5.458 3.300 859 HA THR 112 HA THR 112 3.972 5.492 3.752 860 HB THR 112 HB THR 112 2.108 3.158 4.209 861 HG1 THR 112 HG1 THR 112 2.405 5.538 5.604 862 1HG2 THR 112 HG21 THR 112 4.767 4.026 5.371 863 2HG2 THR 112 HG23 THR 112 3.827 2.657 5.965 864 3HG2 THR 112 HG22 THR 112 4.472 2.637 4.324 865 H LEU 113 HN LEU 113 5.146 5.094 1.938 866 HA LEU 113 HA LEU 113 4.020 3.334 -0.170 867 1HB LEU 113 HB2 LEU 113 6.391 5.209 -0.074 868 2HB LEU 113 HB1 LEU 113 6.109 4.111 -1.424 869 HG LEU 113 HG LEU 113 3.927 5.950 -0.458 870 1HD1 LEU 113 HD12 LEU 113 6.252 6.576 -2.283 871 2HD1 LEU 113 HD11 LEU 113 4.721 7.443 -2.400 872 3HD1 LEU 113 HD13 LEU 113 5.661 7.509 -0.909 873 1HD2 LEU 113 HD23 LEU 113 3.503 4.025 -2.052 874 2HD2 LEU 113 HD22 LEU 113 3.063 5.610 -2.687 875 3HD2 LEU 113 HD21 LEU 113 4.561 4.837 -3.206 876 H LEU 114 HN LEU 114 4.323 1.235 0.569 877 HA LEU 114 HA LEU 114 7.038 0.450 1.502 878 1HB LEU 114 HB2 LEU 114 4.380 -1.011 1.539 879 2HB LEU 114 HB1 LEU 114 5.901 -1.708 2.100 880 HG LEU 114 HG LEU 114 4.952 0.943 3.168 881 1HD1 LEU 114 HD13 LEU 114 4.202 -1.806 4.210 882 2HD1 LEU 114 HD12 LEU 114 3.876 -0.279 5.029 883 3HD1 LEU 114 HD11 LEU 114 3.091 -0.639 3.492 884 1HD2 LEU 114 HD21 LEU 114 6.817 -1.266 4.051 885 2HD2 LEU 114 HD23 LEU 114 7.187 0.438 3.786 886 3HD2 LEU 114 HD22 LEU 114 6.230 -0.049 5.184 887 H VAL 115 HN VAL 115 8.309 0.082 -0.280 888 HA VAL 115 HA VAL 115 7.161 -1.595 -2.471 889 HB VAL 115 HB VAL 115 7.919 0.644 -3.184 890 1HG1 VAL 115 HG13 VAL 115 9.655 0.865 -1.370 891 2HG1 VAL 115 HG12 VAL 115 10.679 -0.232 -2.296 892 3HG1 VAL 115 HG11 VAL 115 10.224 1.331 -2.974 893 1HG2 VAL 115 HG22 VAL 115 9.743 -1.601 -4.107 894 2HG2 VAL 115 HG21 VAL 115 8.147 -1.234 -4.762 895 3HG2 VAL 115 HG23 VAL 115 9.471 -0.088 -4.972 896 H THR 116 HN THR 116 8.222 -3.488 -3.041 897 HA THR 116 HA THR 116 10.500 -4.291 -1.279 898 HB THR 116 HB THR 116 8.675 -6.140 -2.836 899 HG1 THR 116 HG1 THR 116 7.402 -6.234 -1.079 900 1HG2 THR 116 HG22 THR 116 10.725 -6.447 -0.649 901 2HG2 THR 116 HG21 THR 116 9.476 -7.665 -0.902 902 3HG2 THR 116 HG23 THR 116 10.623 -7.299 -2.189 903 H ARG 117 HN ARG 117 12.251 -3.624 -2.531 904 HA ARG 117 HA ARG 117 12.346 -4.139 -5.409 905 1HB ARG 117 HB2 ARG 117 14.314 -3.039 -3.397 906 2HB ARG 117 HB1 ARG 117 14.780 -3.364 -5.067 907 1HG ARG 117 HG2 ARG 117 13.099 -1.840 -5.903 908 2HG ARG 117 HG1 ARG 117 12.424 -1.625 -4.287 909 1HD ARG 117 HD2 ARG 117 14.337 -0.438 -3.529 910 2HD ARG 117 HD1 ARG 117 15.302 -0.953 -4.912 911 HE ARG 117 HE ARG 117 12.936 0.681 -5.557 912 1HH1 ARG 117 HH21 ARG 117 16.352 0.527 -4.945 913 2HH1 ARG 117 HH22 ARG 117 16.683 2.029 -5.741 914 1HH2 ARG 117 HH11 ARG 117 13.379 2.629 -6.588 915 2HH2 ARG 117 HH12 ARG 117 15.007 3.212 -6.668 916 H LEU 118 HN LEU 118 13.794 -5.618 -6.436 917 HA LEU 118 HA LEU 118 14.890 -7.756 -4.654 918 1HB LEU 118 HB2 LEU 118 12.958 -7.940 -6.871 919 2HB LEU 118 HB1 LEU 118 14.311 -9.062 -7.021 920 HG LEU 118 HG LEU 118 13.865 -9.673 -4.567 921 1HD1 LEU 118 HD11 LEU 118 11.418 -8.040 -5.245 922 2HD1 LEU 118 HD13 LEU 118 11.371 -9.299 -4.011 923 3HD1 LEU 118 HD12 LEU 118 12.454 -7.920 -3.823 924 1HD2 LEU 118 HD23 LEU 118 13.249 -11.063 -6.577 925 2HD2 LEU 118 HD22 LEU 118 12.178 -11.298 -5.196 926 3HD2 LEU 118 HD21 LEU 118 11.660 -10.298 -6.554 927 H ALA 119 HN ALA 119 16.972 -8.372 -5.136 928 HA ALA 119 HA ALA 119 18.529 -6.753 -6.951 929 1HB ALA 119 HB1 ALA 119 19.423 -7.828 -4.863 930 2HB ALA 119 HB3 ALA 119 19.304 -9.391 -5.671 931 3HB ALA 119 HB2 ALA 119 20.398 -8.157 -6.296 932 H GLY 120 HN GLY 120 17.027 -9.935 -7.156 933 1HA GLY 120 HA2 GLY 120 18.360 -10.685 -9.631 934 2HA GLY 120 HA1 GLY 120 16.961 -11.495 -8.923 935 H SER 121 HN SER 121 17.803 -10.062 -11.664 936 HA SER 121 HA SER 121 15.551 -8.226 -12.040 937 1HB SER 121 HB2 SER 121 16.370 -8.084 -14.362 938 2HB SER 121 HB1 SER 121 17.691 -7.864 -13.219 939 HG SER 121 HG SER 121 18.576 -9.603 -13.987 940 H PHE 122 HN PHE 122 13.673 -8.660 -13.233 941 HA PHE 122 HA PHE 122 13.314 -11.362 -14.392 942 1HB PHE 122 HB2 PHE 122 11.550 -10.225 -12.201 943 2HB PHE 122 HB1 PHE 122 11.172 -11.665 -13.145 944 HD1 PHE 122 HD1 PHE 122 12.576 -13.702 -12.958 945 HD2 PHE 122 HD2 PHE 122 13.240 -10.259 -10.477 946 HE1 PHE 122 HE1 PHE 122 13.969 -15.071 -11.430 947 HE2 PHE 122 HE2 PHE 122 14.634 -11.629 -8.949 948 HZ PHE 122 HZ PHE 122 14.999 -14.035 -9.427 949 H GLU 123 HN GLU 123 12.400 -11.045 -16.351 950 HA GLU 123 HA GLU 123 11.124 -8.487 -17.003 951 1HB GLU 123 HB2 GLU 123 11.648 -11.001 -18.612 952 2HB GLU 123 HB1 GLU 123 10.860 -9.568 -19.276 953 1HG GLU 123 HG2 GLU 123 13.492 -9.289 -17.855 954 2HG GLU 123 HG1 GLU 123 13.459 -9.838 -19.530 955 H GLY 124 HN GLY 124 8.929 -8.251 -17.659 956 1HA GLY 124 HA2 GLY 124 7.113 -10.563 -17.327 957 2HA GLY 124 HA1 GLY 124 6.865 -9.203 -16.231 958 H ASP 125 HN ASP 125 4.916 -8.435 -17.039 959 HA ASP 125 HA ASP 125 5.025 -7.292 -19.793 960 1HB ASP 125 HB2 ASP 125 2.818 -8.974 -18.584 961 2HB ASP 125 HB1 ASP 125 2.555 -7.923 -19.975 962 H THR 126 HN THR 126 3.751 -7.203 -16.519 963 HA THR 126 HA THR 126 2.541 -4.530 -17.052 964 HB THR 126 HB THR 126 2.309 -6.189 -14.530 965 HG1 THR 126 HG1 THR 126 0.231 -6.062 -16.357 966 1HG2 THR 126 HG21 THR 126 1.754 -3.738 -14.458 967 2HG2 THR 126 HG23 THR 126 0.517 -4.037 -15.680 968 3HG2 THR 126 HG22 THR 126 0.386 -4.790 -14.091 969 H LYS 127 HN LYS 127 3.545 -2.725 -16.297 970 HA LYS 127 HA LYS 127 5.893 -3.105 -14.488 971 1HB LYS 127 HB2 LYS 127 5.232 -1.043 -16.593 972 2HB LYS 127 HB1 LYS 127 6.461 -0.736 -15.363 973 1HG LYS 127 HG2 LYS 127 7.725 -1.669 -17.100 974 2HG LYS 127 HG1 LYS 127 7.397 -3.071 -16.082 975 1HD LYS 127 HD2 LYS 127 5.590 -3.783 -17.509 976 2HD LYS 127 HD1 LYS 127 5.661 -2.283 -18.434 977 1HE LYS 127 HE2 LYS 127 7.970 -4.234 -18.247 978 2HE LYS 127 HE1 LYS 127 6.783 -4.255 -19.552 979 1HZ LYS 127 HZ1 LYS 127 7.754 -1.629 -19.135 980 2HZ LYS 127 HZ3 LYS 127 9.053 -2.690 -19.383 981 3HZ LYS 127 HZ2 LYS 127 7.813 -2.582 -20.540 982 H MET 128 HN MET 128 6.278 -0.962 -13.153 983 HA MET 128 HA MET 128 3.750 -0.446 -11.692 984 1HB MET 128 HB2 MET 128 5.908 -1.116 -10.517 985 2HB MET 128 HB1 MET 128 6.539 0.473 -10.953 986 1HG MET 128 HG2 MET 128 5.622 0.653 -8.730 987 2HG MET 128 HG1 MET 128 4.517 1.487 -9.824 988 1HE MET 128 HE2 MET 128 2.730 1.655 -8.718 989 2HE MET 128 HE1 MET 128 1.500 0.441 -8.381 990 3HE MET 128 HE3 MET 128 2.774 0.767 -7.197 991 H ILE 129 HN ILE 129 3.058 1.724 -11.231 992 HA ILE 129 HA ILE 129 3.477 3.579 -13.431 993 HB ILE 129 HB ILE 129 1.974 5.070 -12.087 994 1HG1 ILE 129 HG12 ILE 129 1.859 2.742 -10.151 995 2HG1 ILE 129 HG11 ILE 129 2.852 4.173 -9.870 996 1HG2 ILE 129 HG23 ILE 129 1.296 2.965 -13.566 997 2HG2 ILE 129 HG22 ILE 129 0.734 2.347 -12.012 998 3HG2 ILE 129 HG21 ILE 129 0.082 3.857 -12.649 999 1HD1 ILE 129 HD11 ILE 129 0.642 5.490 -10.332 1000 2HD1 ILE 129 HD13 ILE 129 -0.146 3.951 -9.986 1001 3HD1 ILE 129 HD12 ILE 129 0.862 4.721 -8.760 1002 HA PRO 130 HA PRO 130 6.665 6.127 -11.662 1003 1HB PRO 130 HB2 PRO 130 5.824 8.612 -12.646 1004 2HB PRO 130 HB1 PRO 130 6.816 7.433 -13.514 1005 1HG PRO 130 HG2 PRO 130 4.124 8.228 -14.072 1006 2HG PRO 130 HG1 PRO 130 5.129 7.067 -14.950 1007 1HD PRO 130 HD2 PRO 130 2.956 6.560 -13.061 1008 2HD PRO 130 HD1 PRO 130 3.745 5.444 -14.187 1009 H LEU 131 HN LEU 131 6.319 6.165 -9.418 1010 HA LEU 131 HA LEU 131 4.229 7.883 -8.267 1011 1HB LEU 131 HB2 LEU 131 6.407 6.192 -7.004 1012 2HB LEU 131 HB1 LEU 131 5.200 7.096 -6.087 1013 HG LEU 131 HG LEU 131 4.448 5.082 -8.215 1014 1HD1 LEU 131 HD12 LEU 131 4.888 4.700 -5.243 1015 2HD1 LEU 131 HD11 LEU 131 3.956 3.578 -6.234 1016 3HD1 LEU 131 HD13 LEU 131 5.670 3.830 -6.563 1017 1HD2 LEU 131 HD22 LEU 131 2.971 6.389 -5.908 1018 2HD2 LEU 131 HD21 LEU 131 2.706 6.686 -7.626 1019 3HD2 LEU 131 HD23 LEU 131 2.298 5.119 -6.929 1020 H ASN 132 HN ASN 132 4.621 9.801 -7.112 1021 HA ASN 132 HA ASN 132 7.097 11.212 -7.842 1022 1HB ASN 132 HB2 ASN 132 4.796 12.280 -7.881 1023 2HB ASN 132 HB1 ASN 132 4.816 12.214 -6.118 1024 1HD2 ASN 132 HD22 ASN 132 6.409 15.412 -7.663 1025 2HD2 ASN 132 HD21 ASN 132 5.083 14.524 -8.243 1026 H TRP 133 HN TRP 133 8.637 10.017 -6.567 1027 HA TRP 133 HA TRP 133 8.347 9.744 -3.693 1028 1HB TRP 133 HB2 TRP 133 10.839 9.574 -5.413 1029 2HB TRP 133 HB1 TRP 133 10.688 9.002 -3.752 1030 HD1 TRP 133 HD1 TRP 133 9.502 8.246 -7.308 1031 HE1 TRP 133 HE1 TRP 133 8.598 5.833 -7.382 1032 HE3 TRP 133 HE3 TRP 133 9.675 7.085 -2.337 1033 HZ2 TRP 133 HZ2 TRP 133 8.024 3.693 -5.573 1034 HZ3 TRP 133 HZ3 TRP 133 8.943 4.855 -1.541 1035 HH2 TRP 133 HH2 TRP 133 8.119 3.159 -3.151 1036 H ASP 134 HN ASP 134 9.094 12.384 -5.681 1037 HA ASP 134 HA ASP 134 11.074 13.751 -4.140 1038 1HB ASP 134 HB2 ASP 134 10.126 14.319 -6.488 1039 2HB ASP 134 HB1 ASP 134 8.852 15.165 -5.610 1040 H ASP 135 HN ASP 135 7.590 13.435 -3.769 1041 HA ASP 135 HA ASP 135 7.607 15.379 -1.521 1042 1HB ASP 135 HB2 ASP 135 5.125 15.025 -1.561 1043 2HB ASP 135 HB1 ASP 135 5.766 15.621 -3.093 1044 H PHE 136 HN PHE 136 9.009 12.870 -1.214 1045 HA PHE 136 HA PHE 136 7.493 11.807 1.108 1046 1HB PHE 136 HB2 PHE 136 8.498 10.209 -1.246 1047 2HB PHE 136 HB1 PHE 136 8.312 9.467 0.343 1048 HD1 PHE 136 HD2 PHE 136 6.007 9.896 1.542 1049 HD2 PHE 136 HD1 PHE 136 6.657 10.298 -2.684 1050 HE1 PHE 136 HE2 PHE 136 3.572 9.653 1.145 1051 HE2 PHE 136 HE1 PHE 136 4.221 10.055 -3.082 1052 HZ PHE 136 HZ PHE 136 2.678 9.732 -1.167 1053 H THR 137 HN THR 137 8.986 10.381 2.468 1054 HA THR 137 HA THR 137 11.866 10.995 2.108 1055 HB THR 137 HB THR 137 10.524 11.485 4.770 1056 HG1 THR 137 HG1 THR 137 10.317 13.587 4.221 1057 1HG2 THR 137 HG23 THR 137 12.972 11.105 4.716 1058 2HG2 THR 137 HG22 THR 137 13.140 12.427 3.561 1059 3HG2 THR 137 HG21 THR 137 12.580 12.754 5.201 1060 H LYS 138 HN LYS 138 13.215 9.441 3.078 1061 HA LYS 138 HA LYS 138 11.983 6.862 3.624 1062 1HB LYS 138 HB2 LYS 138 14.273 7.311 2.522 1063 2HB LYS 138 HB1 LYS 138 14.868 7.579 4.162 1064 1HG LYS 138 HG2 LYS 138 14.305 5.355 4.833 1065 2HG LYS 138 HG1 LYS 138 13.355 5.082 3.373 1066 1HD LYS 138 HD2 LYS 138 16.307 5.708 3.247 1067 2HD LYS 138 HD1 LYS 138 15.715 4.056 3.429 1068 1HE LYS 138 HE2 LYS 138 14.355 4.335 1.371 1069 2HE LYS 138 HE1 LYS 138 15.008 5.961 1.178 1070 1HZ LYS 138 HZ2 LYS 138 16.699 3.530 1.341 1071 2HZ LYS 138 HZ1 LYS 138 16.168 4.201 -0.127 1072 3HZ LYS 138 HZ3 LYS 138 17.181 5.097 0.898 1073 H VAL 139 HN VAL 139 12.113 5.702 5.637 1074 HA VAL 139 HA VAL 139 12.823 7.293 8.046 1075 HB VAL 139 HB VAL 139 10.680 6.571 9.132 1076 1HG1 VAL 139 HG13 VAL 139 11.019 8.822 8.019 1077 2HG1 VAL 139 HG12 VAL 139 10.217 8.160 6.595 1078 3HG1 VAL 139 HG11 VAL 139 9.338 8.296 8.118 1079 1HG2 VAL 139 HG21 VAL 139 10.215 4.660 7.629 1080 2HG2 VAL 139 HG23 VAL 139 8.857 5.784 7.668 1081 3HG2 VAL 139 HG22 VAL 139 9.958 5.780 6.291 1082 H SER 140 HN SER 140 12.086 4.196 6.542 1083 HA SER 140 HA SER 140 13.876 2.868 8.484 1084 1HB SER 140 HB2 SER 140 10.976 2.099 8.072 1085 2HB SER 140 HB1 SER 140 12.166 1.026 8.806 1086 HG SER 140 HG SER 140 12.249 2.284 10.535 1087 H SER 141 HN SER 141 14.628 0.792 7.689 1088 HA SER 141 HA SER 141 13.792 -0.097 5.020 1089 1HB SER 141 HB2 SER 141 15.374 1.729 4.485 1090 2HB SER 141 HB1 SER 141 16.601 0.955 5.485 1091 HG SER 141 HG SER 141 16.346 -0.898 4.083 1092 H ARG 142 HN ARG 142 13.600 -2.237 5.486 1093 HA ARG 142 HA ARG 142 15.642 -3.519 7.234 1094 1HB ARG 142 HB2 ARG 142 13.089 -3.755 7.601 1095 2HB ARG 142 HB1 ARG 142 13.128 -4.832 6.204 1096 1HG ARG 142 HG2 ARG 142 14.989 -6.104 7.393 1097 2HG ARG 142 HG1 ARG 142 14.592 -5.159 8.830 1098 1HD ARG 142 HD2 ARG 142 12.289 -5.988 8.776 1099 2HD ARG 142 HD1 ARG 142 12.626 -6.881 7.292 1100 HE ARG 142 HE ARG 142 14.515 -7.851 9.057 1101 1HH1 ARG 142 HH21 ARG 142 11.064 -7.459 9.140 1102 2HH1 ARG 142 HH22 ARG 142 10.815 -8.818 10.184 1103 1HH2 ARG 142 HH11 ARG 142 14.180 -9.612 10.413 1104 2HH2 ARG 142 HH12 ARG 142 12.572 -10.030 10.901 1105 H THR 143 HN THR 143 17.339 -4.302 6.080 1106 HA THR 143 HA THR 143 16.920 -5.285 3.319 1107 HB THR 143 HB THR 143 19.521 -5.188 4.862 1108 HG1 THR 143 HG1 THR 143 17.948 -3.177 3.977 1109 1HG2 THR 143 HG23 THR 143 18.772 -5.260 1.932 1110 2HG2 THR 143 HG22 THR 143 20.402 -4.906 2.505 1111 3HG2 THR 143 HG21 THR 143 19.670 -6.476 2.839 1112 H VAL 144 HN VAL 144 17.332 -7.445 2.709 1113 HA VAL 144 HA VAL 144 18.110 -9.394 4.782 1114 HB VAL 144 HB VAL 144 15.665 -9.194 5.060 1115 1HG1 VAL 144 HG12 VAL 144 15.224 -8.434 2.710 1116 2HG1 VAL 144 HG11 VAL 144 15.487 -10.093 2.171 1117 3HG1 VAL 144 HG13 VAL 144 14.141 -9.718 3.248 1118 1HG2 VAL 144 HG23 VAL 144 16.837 -11.421 5.278 1119 2HG2 VAL 144 HG22 VAL 144 15.126 -11.544 4.869 1120 3HG2 VAL 144 HG21 VAL 144 16.350 -11.774 3.619 1121 H GLU 145 HN GLU 145 19.319 -10.995 3.863 1122 HA GLU 145 HA GLU 145 19.362 -11.138 0.879 1123 1HB GLU 145 HB2 GLU 145 21.475 -10.565 2.284 1124 2HB GLU 145 HB1 GLU 145 21.481 -12.280 2.694 1125 1HG GLU 145 HG2 GLU 145 21.480 -12.841 0.275 1126 2HG GLU 145 HG1 GLU 145 21.543 -11.120 -0.107 1127 H ASP 146 HN ASP 146 18.477 -12.932 -0.006 1128 HA ASP 146 HA ASP 146 17.650 -15.170 1.688 1129 1HB ASP 146 HB2 ASP 146 16.455 -14.157 -0.421 1130 2HB ASP 146 HB1 ASP 146 17.544 -15.216 -1.316 1131 H THR 147 HN THR 147 18.045 -17.368 0.023 1132 HA THR 147 HA THR 147 20.796 -18.043 0.614 1133 HB THR 147 HB THR 147 20.215 -20.139 -0.726 1134 HG1 THR 147 HG1 THR 147 18.585 -19.023 -1.968 1135 1HG2 THR 147 HG21 THR 147 19.954 -19.984 1.729 1136 2HG2 THR 147 HG23 THR 147 18.334 -19.322 1.507 1137 3HG2 THR 147 HG22 THR 147 18.688 -20.977 1.008 1138 H ASN 148 HN ASN 148 19.031 -17.208 -2.355 1139 HA ASN 148 HA ASN 148 21.596 -17.313 -3.863 1140 1HB ASN 148 HB2 ASN 148 19.487 -18.481 -4.719 1141 2HB ASN 148 HB1 ASN 148 18.832 -16.869 -5.009 1142 1HD2 ASN 148 HD22 ASN 148 21.947 -18.202 -7.336 1143 2HD2 ASN 148 HD21 ASN 148 21.654 -18.940 -5.836 1144 HA PRO 149 HA PRO 149 22.193 -12.901 -3.640 1145 1HB PRO 149 HB2 PRO 149 23.010 -12.790 -6.423 1146 2HB PRO 149 HB1 PRO 149 23.998 -12.608 -4.968 1147 1HG PRO 149 HG2 PRO 149 23.818 -14.862 -6.732 1148 2HG PRO 149 HG1 PRO 149 24.863 -14.645 -5.321 1149 1HD PRO 149 HD2 PRO 149 22.696 -16.418 -5.525 1150 2HD PRO 149 HD1 PRO 149 23.548 -15.966 -4.041 1151 H ALA 150 HN ALA 150 20.733 -14.161 -6.652 1152 HA ALA 150 HA ALA 150 19.393 -11.739 -7.377 1153 1HB ALA 150 HB3 ALA 150 19.782 -13.874 -8.787 1154 2HB ALA 150 HB2 ALA 150 18.330 -14.494 -8.001 1155 3HB ALA 150 HB1 ALA 150 18.245 -13.035 -8.988 1156 H LEU 151 HN LEU 151 18.604 -14.290 -5.113 1157 HA LEU 151 HA LEU 151 15.808 -13.476 -4.822 1158 1HB LEU 151 HB2 LEU 151 17.616 -15.415 -3.387 1159 2HB LEU 151 HB1 LEU 151 16.030 -15.007 -2.732 1160 HG LEU 151 HG LEU 151 16.454 -15.964 -5.573 1161 1HD1 LEU 151 HD13 LEU 151 17.145 -17.697 -3.930 1162 2HD1 LEU 151 HD12 LEU 151 15.573 -17.553 -3.142 1163 3HD1 LEU 151 HD11 LEU 151 15.679 -18.157 -4.795 1164 1HD2 LEU 151 HD23 LEU 151 14.059 -15.504 -3.783 1165 2HD2 LEU 151 HD22 LEU 151 14.382 -14.801 -5.368 1166 3HD2 LEU 151 HD21 LEU 151 13.965 -16.510 -5.229 1167 H THR 152 HN THR 152 18.187 -11.587 -4.277 1168 HA THR 152 HA THR 152 17.810 -10.982 -1.409 1169 HB THR 152 HB THR 152 19.441 -9.500 -3.496 1170 HG1 THR 152 HG1 THR 152 21.139 -10.685 -2.222 1171 1HG2 THR 152 HG22 THR 152 19.223 -9.377 -0.492 1172 2HG2 THR 152 HG21 THR 152 20.684 -8.843 -1.322 1173 3HG2 THR 152 HG23 THR 152 19.142 -8.054 -1.655 1174 H HIS 153 HN HIS 153 16.679 -9.194 -0.649 1175 HA HIS 153 HA HIS 153 15.610 -7.207 -2.546 1176 1HB HIS 153 HB2 HIS 153 13.257 -7.600 -1.758 1177 2HB HIS 153 HB1 HIS 153 13.908 -8.931 -2.713 1178 HD1 HIS 153 HD1 HIS 153 14.932 -10.983 -1.239 1179 HD2 HIS 153 HD2 HIS 153 12.390 -8.358 0.769 1180 HE1 HIS 153 HE1 HIS 153 14.203 -12.169 0.877 1181 H THR 154 HN THR 154 14.419 -5.460 -1.331 1182 HA THR 154 HA THR 154 15.154 -5.336 1.555 1183 HB THR 154 HB THR 154 15.589 -3.024 -0.352 1184 HG1 THR 154 HG1 THR 154 16.955 -5.141 -0.402 1185 1HG2 THR 154 HG23 THR 154 16.063 -3.571 2.555 1186 2HG2 THR 154 HG22 THR 154 17.170 -2.493 1.701 1187 3HG2 THR 154 HG21 THR 154 15.449 -2.112 1.776 1188 H TYR 155 HN TYR 155 13.509 -4.521 2.781 1189 HA TYR 155 HA TYR 155 11.047 -3.662 1.401 1190 1HB TYR 155 HB2 TYR 155 11.676 -4.153 4.328 1191 2HB TYR 155 HB1 TYR 155 10.085 -3.698 3.716 1192 HD1 TYR 155 HD1 TYR 155 8.937 -5.203 2.027 1193 HD2 TYR 155 HD2 TYR 155 12.445 -6.399 4.198 1194 HE1 TYR 155 HE1 TYR 155 8.464 -7.576 1.485 1195 HE2 TYR 155 HE2 TYR 155 11.972 -8.772 3.655 1196 HH TYR 155 HH TYR 155 10.338 -9.847 1.389 1197 H GLU 156 HN GLU 156 11.556 -1.569 0.643 1198 HA GLU 156 HA GLU 156 12.681 0.452 2.427 1199 1HB GLU 156 HB2 GLU 156 11.360 0.741 -0.291 1200 2HB GLU 156 HB1 GLU 156 12.285 1.992 0.540 1201 1HG GLU 156 HG2 GLU 156 13.474 -0.718 -0.060 1202 2HG GLU 156 HG1 GLU 156 13.537 0.601 -1.230 1203 H VAL 157 HN VAL 157 11.540 1.801 3.743 1204 HA VAL 157 HA VAL 157 8.565 1.868 3.416 1205 HB VAL 157 HB VAL 157 10.128 2.145 6.000 1206 1HG1 VAL 157 HG12 VAL 157 7.182 1.943 5.328 1207 2HG1 VAL 157 HG11 VAL 157 7.816 1.725 6.959 1208 3HG1 VAL 157 HG13 VAL 157 8.009 3.274 6.137 1209 1HG2 VAL 157 HG23 VAL 157 8.903 -0.211 4.598 1210 2HG2 VAL 157 HG22 VAL 157 10.410 -0.117 5.509 1211 3HG2 VAL 157 HG21 VAL 157 8.866 -0.151 6.360 1212 H TRP 158 HN TRP 158 8.025 3.842 2.629 1213 HA TRP 158 HA TRP 158 9.583 6.216 3.568 1214 1HB TRP 158 HB2 TRP 158 7.912 5.827 1.065 1215 2HB TRP 158 HB1 TRP 158 8.704 7.336 1.519 1216 HD1 TRP 158 HD1 TRP 158 9.789 3.630 1.143 1217 HE1 TRP 158 HE1 TRP 158 12.099 3.591 0.000 1218 HE3 TRP 158 HE3 TRP 158 10.597 8.645 0.614 1219 HZ2 TRP 158 HZ2 TRP 158 14.034 5.442 -1.006 1220 HZ3 TRP 158 HZ3 TRP 158 12.680 9.478 -0.438 1221 HH2 TRP 158 HH2 TRP 158 14.398 7.885 -1.248 1222 H GLN 159 HN GLN 159 8.323 8.175 4.011 1223 HA GLN 159 HA GLN 159 5.421 7.744 4.495 1224 1HB GLN 159 HB2 GLN 159 7.499 8.485 6.555 1225 2HB GLN 159 HB1 GLN 159 5.810 8.954 6.753 1226 1HG GLN 159 HG2 GLN 159 6.498 6.103 6.096 1227 2HG GLN 159 HG1 GLN 159 6.626 6.675 7.760 1228 1HE2 GLN 159 HE22 GLN 159 3.186 5.994 8.137 1229 2HE2 GLN 159 HE21 GLN 159 4.765 5.719 8.694 1230 H LYS 160 HN LYS 160 4.208 9.636 4.280 1231 HA LYS 160 HA LYS 160 5.484 11.848 2.886 1232 1HB LYS 160 HB2 LYS 160 3.074 10.946 2.584 1233 2HB LYS 160 HB1 LYS 160 2.688 11.895 4.020 1234 1HG LYS 160 HG2 LYS 160 3.745 13.888 2.844 1235 2HG LYS 160 HG1 LYS 160 3.774 12.902 1.381 1236 1HD LYS 160 HD2 LYS 160 1.265 12.507 1.808 1237 2HD LYS 160 HD1 LYS 160 1.372 13.851 2.944 1238 1HE LYS 160 HE2 LYS 160 0.670 14.606 0.684 1239 2HE LYS 160 HE1 LYS 160 2.210 15.319 1.167 1240 1HZ LYS 160 HZ3 LYS 160 2.556 12.809 -0.143 1241 2HZ LYS 160 HZ2 LYS 160 1.722 13.915 -1.127 1242 3HZ LYS 160 HZ1 LYS 160 3.250 14.315 -0.500 1243 H LYS 161 HN LYS 161 6.662 13.327 3.997 1244 HA LYS 161 HA LYS 161 5.468 14.588 6.392 1245 1HB LYS 161 HB2 LYS 161 7.124 12.580 6.928 1246 2HB LYS 161 HB1 LYS 161 8.351 13.801 6.590 1247 1HG LYS 161 HG2 LYS 161 6.090 14.584 8.374 1248 2HG LYS 161 HG1 LYS 161 7.312 13.498 9.037 1249 1HD LYS 161 HD2 LYS 161 8.229 15.915 7.529 1250 2HD LYS 161 HD1 LYS 161 7.624 16.132 9.171 1251 1HE LYS 161 HE2 LYS 161 9.908 15.743 9.527 1252 2HE LYS 161 HE1 LYS 161 9.211 14.138 9.752 1253 1HZ LYS 161 HZ1 LYS 161 10.271 15.106 7.157 1254 2HZ LYS 161 HZ3 LYS 161 11.199 14.229 8.272 1255 3HZ LYS 161 HZ2 LYS 161 9.826 13.518 7.568 1256 H ALA 162 HN ALA 162 6.075 16.746 6.582 1257 HA ALA 162 HA ALA 162 8.291 17.758 4.888 1258 1HB ALA 162 HB3 ALA 162 5.382 18.449 4.596 1259 2HB ALA 162 HB2 ALA 162 6.602 19.675 4.256 1260 3HB ALA 162 HB1 ALA 162 6.589 18.167 3.342 1261 1H9 TMQ 170 H91 TMQ 170 -0.410 -10.070 -6.071 1262 2H9 TMQ 170 H92 TMQ 170 -1.084 -10.962 -4.700 1263 HN1 TMQ 170 H1N TMQ 170 0.513 -12.031 -6.825 1264 1H17 TMQ 170 HM1 TMQ 170 -1.222 -8.124 -2.920 1265 2H17 TMQ 170 HM2 TMQ 170 -1.326 -8.795 -4.547 1266 3H17 TMQ 170 HM3 TMQ 170 -0.550 -7.233 -4.292 1267 1H21 TMQ 170 HW11 TMQ 170 -2.159 -13.822 -0.512 1268 2H21 TMQ 170 HW12 TMQ 170 -2.429 -13.520 -2.236 1269 3H21 TMQ 170 HW13 TMQ 170 -1.147 -12.652 -1.375 1270 1H22 TMQ 170 HI1 TMQ 170 1.548 -16.105 -1.626 1271 2H22 TMQ 170 HI2 TMQ 170 1.535 -17.872 -1.751 1272 3H22 TMQ 170 HI3 TMQ 170 2.352 -16.902 -2.987 1273 1H23 TMQ 170 HW21 TMQ 170 1.674 -16.152 -7.575 1274 2H23 TMQ 170 HW22 TMQ 170 2.702 -17.487 -7.034 1275 3H23 TMQ 170 HW23 TMQ 170 2.972 -15.853 -6.409 1276 1HN2 TMQ 170 HN21 TMQ 170 4.772 -6.210 0.122 1277 2HN2 TMQ 170 HN22 TMQ 170 5.687 -7.607 -0.336 1278 1HN5 TMQ 170 HN41 TMQ 170 -0.245 -6.448 -2.492 1279 2HN5 TMQ 170 HN42 TMQ 170 0.611 -5.434 -1.415 1280 HN TMQ 170 H1 TMQ 170 4.782 -9.138 -1.775 1281 H7 TMQ 170 H7 TMQ 170 2.269 -11.765 -4.716 1282 H8 TMQ 170 H8 TMQ 170 4.041 -10.878 -3.269 1283 H12 TMQ 170 HP2 TMQ 170 -0.660 -12.391 -3.377 1284 H16 TMQ 170 HP6 TMQ 170 1.153 -14.321 -6.792 No H/Q in entry = 1284 Start of MODEL 22 1 1H THR 1 HT1 THR 1 -2.981 5.480 4.623 2 2H THR 1 HT3 THR 1 -3.580 6.616 3.515 3 3H THR 1 HT2 THR 1 -4.647 5.551 4.298 4 HA THR 1 HA THR 1 -4.219 3.850 2.920 5 HB THR 1 HB THR 1 -2.918 5.903 1.137 6 HG1 THR 1 HG1 THR 1 -4.574 7.132 1.421 7 1HG2 THR 1 HG22 THR 1 -4.733 3.523 0.823 8 2HG2 THR 1 HG21 THR 1 -4.644 4.755 -0.435 9 3HG2 THR 1 HG23 THR 1 -3.198 3.856 0.022 10 H ALA 2 HN ALA 2 -2.729 2.245 2.724 11 HA ALA 2 HA ALA 2 0.161 3.006 2.892 12 1HB ALA 2 HB1 ALA 2 -0.775 1.729 4.856 13 2HB ALA 2 HB3 ALA 2 -1.095 0.387 3.757 14 3HB ALA 2 HB2 ALA 2 0.563 0.917 4.043 15 H PHE 3 HN PHE 3 0.766 2.977 0.743 16 HA PHE 3 HA PHE 3 -0.232 0.997 -1.139 17 1HB PHE 3 HB2 PHE 3 1.864 3.153 -1.217 18 2HB PHE 3 HB1 PHE 3 1.790 1.955 -2.508 19 HD1 PHE 3 HD1 PHE 3 -0.774 3.824 -0.490 20 HD2 PHE 3 HD2 PHE 3 0.678 2.749 -4.387 21 HE1 PHE 3 HE1 PHE 3 -2.657 5.055 -1.532 22 HE2 PHE 3 HE2 PHE 3 -1.207 3.979 -5.429 23 HZ PHE 3 HZ PHE 3 -2.874 5.132 -4.001 24 H LEU 4 HN LEU 4 0.547 -1.030 -1.425 25 HA LEU 4 HA LEU 4 3.364 -1.623 -0.662 26 1HB LEU 4 HB2 LEU 4 1.866 -2.237 1.249 27 2HB LEU 4 HB1 LEU 4 0.994 -3.325 0.171 28 HG LEU 4 HG LEU 4 3.389 -4.298 -0.323 29 1HD1 LEU 4 HD13 LEU 4 3.728 -2.709 2.210 30 2HD1 LEU 4 HD12 LEU 4 4.648 -4.194 1.970 31 3HD1 LEU 4 HD11 LEU 4 4.825 -2.854 0.837 32 1HD2 LEU 4 HD21 LEU 4 1.718 -4.744 2.158 33 2HD2 LEU 4 HD23 LEU 4 1.739 -5.694 0.673 34 3HD2 LEU 4 HD22 LEU 4 3.110 -5.759 1.780 35 H TRP 5 HN TRP 5 4.224 -2.355 -2.550 36 HA TRP 5 HA TRP 5 2.770 -4.491 -4.009 37 1HB TRP 5 HB2 TRP 5 3.184 -3.405 -6.180 38 2HB TRP 5 HB1 TRP 5 2.192 -2.374 -5.153 39 HD1 TRP 5 HD1 TRP 5 5.266 -2.348 -7.177 40 HE1 TRP 5 HE1 TRP 5 6.629 -0.203 -6.750 41 HE3 TRP 5 HE3 TRP 5 2.896 -0.607 -2.998 42 HZ2 TRP 5 HZ2 TRP 5 6.707 1.963 -4.887 43 HZ3 TRP 5 HZ3 TRP 5 3.638 1.498 -1.920 44 HH2 TRP 5 HH2 TRP 5 5.538 2.784 -2.858 45 H ALA 6 HN ALA 6 4.149 -6.009 -4.940 46 HA ALA 6 HA ALA 6 7.006 -5.772 -4.186 47 1HB ALA 6 HB3 ALA 6 5.269 -8.055 -5.138 48 2HB ALA 6 HB2 ALA 6 7.024 -8.201 -5.040 49 3HB ALA 6 HB1 ALA 6 6.083 -7.880 -3.584 50 H GLN 7 HN GLN 7 8.281 -4.794 -5.681 51 HA GLN 7 HA GLN 7 7.906 -5.558 -8.545 52 1HB GLN 7 HB2 GLN 7 8.545 -3.205 -9.144 53 2HB GLN 7 HB1 GLN 7 6.998 -3.317 -8.306 54 1HG GLN 7 HG2 GLN 7 7.866 -2.457 -6.310 55 2HG GLN 7 HG1 GLN 7 9.523 -2.892 -6.730 56 1HE2 GLN 7 HE22 GLN 7 9.767 -0.075 -9.090 57 2HE2 GLN 7 HE21 GLN 7 10.076 -1.743 -9.090 58 H ASP 8 HN ASP 8 9.855 -5.657 -9.761 59 HA ASP 8 HA ASP 8 12.292 -5.923 -8.081 60 1HB ASP 8 HB2 ASP 8 13.230 -7.029 -10.156 61 2HB ASP 8 HB1 ASP 8 11.846 -7.859 -9.448 62 H ARG 9 HN ARG 9 14.379 -5.206 -9.244 63 HA ARG 9 HA ARG 9 14.301 -2.394 -9.691 64 1HB ARG 9 HB2 ARG 9 16.645 -2.704 -10.535 65 2HB ARG 9 HB1 ARG 9 16.354 -3.475 -8.975 66 1HG ARG 9 HG2 ARG 9 16.147 -5.641 -9.986 67 2HG ARG 9 HG1 ARG 9 16.104 -4.948 -11.608 68 1HD ARG 9 HD2 ARG 9 18.474 -4.540 -9.785 69 2HD ARG 9 HD1 ARG 9 18.342 -5.961 -10.820 70 HE ARG 9 HE ARG 9 17.937 -3.458 -12.264 71 1HH1 ARG 9 HH11 ARG 9 20.257 -5.744 -11.054 72 2HH1 ARG 9 HH12 ARG 9 21.465 -5.314 -12.218 73 1HH2 ARG 9 HH21 ARG 9 19.511 -2.909 -13.769 74 2HH2 ARG 9 HH22 ARG 9 21.043 -3.717 -13.748 75 H ASP 10 HN ASP 10 13.641 -5.025 -11.820 76 HA ASP 10 HA ASP 10 14.253 -3.607 -14.295 77 1HB ASP 10 HB2 ASP 10 12.806 -6.164 -13.616 78 2HB ASP 10 HB1 ASP 10 12.777 -5.515 -15.257 79 H GLY 11 HN GLY 11 12.194 -2.633 -12.125 80 1HA GLY 11 HA2 GLY 11 10.227 -1.359 -12.176 81 2HA GLY 11 HA1 GLY 11 10.479 -1.217 -13.916 82 H LEU 12 HN LEU 12 10.092 -4.275 -12.196 83 HA LEU 12 HA LEU 12 7.595 -4.735 -13.772 84 1HB LEU 12 HB2 LEU 12 9.767 -6.266 -13.855 85 2HB LEU 12 HB1 LEU 12 9.058 -6.954 -12.393 86 HG LEU 12 HG LEU 12 6.859 -7.042 -13.809 87 1HD1 LEU 12 HD12 LEU 12 7.946 -5.707 -15.679 88 2HD1 LEU 12 HD11 LEU 12 8.923 -7.134 -16.024 89 3HD1 LEU 12 HD13 LEU 12 7.168 -7.206 -16.187 90 1HD2 LEU 12 HD22 LEU 12 8.546 -8.923 -13.043 91 2HD2 LEU 12 HD21 LEU 12 7.309 -9.290 -14.244 92 3HD2 LEU 12 HD23 LEU 12 8.966 -8.965 -14.755 93 H ILE 13 HN ILE 13 5.945 -6.127 -12.626 94 HA ILE 13 HA ILE 13 5.996 -5.798 -9.665 95 HB ILE 13 HB ILE 13 3.599 -5.060 -9.757 96 1HG1 ILE 13 HG12 ILE 13 4.174 -4.652 -12.707 97 2HG1 ILE 13 HG11 ILE 13 3.208 -5.983 -12.072 98 1HG2 ILE 13 HG22 ILE 13 5.724 -3.383 -11.113 99 2HG2 ILE 13 HG21 ILE 13 4.147 -2.739 -10.652 100 3HG2 ILE 13 HG23 ILE 13 5.246 -3.352 -9.416 101 1HD1 ILE 13 HD12 ILE 13 2.531 -3.169 -11.277 102 2HD1 ILE 13 HD11 ILE 13 2.018 -3.771 -12.854 103 3HD1 ILE 13 HD13 ILE 13 1.478 -4.580 -11.383 104 H GLY 14 HN GLY 14 4.767 -7.422 -12.525 105 1HA GLY 14 HA2 GLY 14 4.490 -9.928 -11.117 106 2HA GLY 14 HA1 GLY 14 2.909 -9.213 -11.438 107 H LYS 15 HN LYS 15 2.788 -11.298 -12.771 108 HA LYS 15 HA LYS 15 3.013 -10.656 -15.561 109 1HB LYS 15 HB2 LYS 15 5.435 -11.143 -14.965 110 2HB LYS 15 HB1 LYS 15 4.937 -12.802 -14.632 111 1HG LYS 15 HG2 LYS 15 3.901 -12.774 -16.994 112 2HG LYS 15 HG1 LYS 15 4.867 -11.322 -17.262 113 1HD LYS 15 HD2 LYS 15 6.229 -13.113 -18.030 114 2HD LYS 15 HD1 LYS 15 6.873 -12.699 -16.442 115 1HE LYS 15 HE2 LYS 15 5.833 -14.567 -15.410 116 2HE LYS 15 HE1 LYS 15 4.771 -14.838 -16.792 117 1HZ LYS 15 HZ2 LYS 15 7.705 -14.995 -17.070 118 2HZ LYS 15 HZ1 LYS 15 6.804 -16.333 -16.534 119 3HZ LYS 15 HZ3 LYS 15 6.505 -15.668 -18.066 120 H ASP 16 HN ASP 16 1.339 -11.755 -16.443 121 HA ASP 16 HA ASP 16 -0.299 -13.397 -16.783 122 1HB ASP 16 HB2 ASP 16 2.121 -14.902 -15.931 123 2HB ASP 16 HB1 ASP 16 0.588 -15.770 -15.835 124 H GLY 17 HN GLY 17 -0.302 -11.837 -14.310 125 1HA GLY 17 HA2 GLY 17 -1.857 -11.818 -12.509 126 2HA GLY 17 HA1 GLY 17 -2.140 -13.540 -12.767 127 H HIS 18 HN HIS 18 0.087 -14.832 -12.394 128 HA HIS 18 HA HIS 18 0.729 -14.426 -9.583 129 1HB HIS 18 HB2 HIS 18 2.251 -16.388 -9.938 130 2HB HIS 18 HB1 HIS 18 0.591 -16.696 -10.449 131 HD1 HIS 18 HD1 HIS 18 4.051 -16.115 -11.801 132 HD2 HIS 18 HD2 HIS 18 0.244 -16.996 -13.256 133 HE1 HIS 18 HE1 HIS 18 4.342 -16.741 -14.238 134 H LEU 19 HN LEU 19 3.225 -14.615 -9.026 135 HA LEU 19 HA LEU 19 4.497 -12.272 -10.276 136 1HB LEU 19 HB2 LEU 19 5.077 -13.977 -7.862 137 2HB LEU 19 HB1 LEU 19 6.305 -12.878 -8.492 138 HG LEU 19 HG LEU 19 3.496 -11.923 -7.958 139 1HD1 LEU 19 HD13 LEU 19 5.817 -12.021 -6.006 140 2HD1 LEU 19 HD12 LEU 19 4.305 -11.152 -5.739 141 3HD1 LEU 19 HD11 LEU 19 4.301 -12.912 -5.861 142 1HD2 LEU 19 HD23 LEU 19 6.190 -10.739 -8.501 143 2HD2 LEU 19 HD22 LEU 19 4.609 -10.252 -9.114 144 3HD2 LEU 19 HD21 LEU 19 5.083 -9.835 -7.467 145 HA PRO 20 HA PRO 20 7.303 -14.633 -12.808 146 1HB PRO 20 HB2 PRO 20 9.373 -12.766 -12.922 147 2HB PRO 20 HB1 PRO 20 7.936 -12.773 -13.954 148 1HG PRO 20 HG2 PRO 20 8.652 -10.893 -11.902 149 2HG PRO 20 HG1 PRO 20 7.265 -10.856 -13.000 150 1HD PRO 20 HD2 PRO 20 7.350 -11.618 -10.188 151 2HD PRO 20 HD1 PRO 20 5.944 -11.315 -11.222 152 H TRP 21 HN TRP 21 8.512 -13.229 -9.805 153 HA TRP 21 HA TRP 21 10.728 -15.227 -9.770 154 1HB TRP 21 HB2 TRP 21 11.615 -13.833 -7.882 155 2HB TRP 21 HB1 TRP 21 11.478 -12.944 -9.398 156 HD1 TRP 21 HD1 TRP 21 9.680 -13.397 -6.033 157 HE1 TRP 21 HE1 TRP 21 8.245 -11.303 -5.584 158 HE3 TRP 21 HE3 TRP 21 10.333 -10.918 -10.449 159 HZ2 TRP 21 HZ2 TRP 21 7.475 -8.895 -6.923 160 HZ3 TRP 21 HZ3 TRP 21 9.238 -8.728 -10.836 161 HH2 TRP 21 HH2 TRP 21 7.811 -7.714 -9.080 162 H HIS 22 HN HIS 22 11.151 -16.186 -7.540 163 HA HIS 22 HA HIS 22 8.547 -16.779 -6.185 164 1HB HIS 22 HB2 HIS 22 9.702 -18.668 -7.489 165 2HB HIS 22 HB1 HIS 22 10.946 -18.618 -6.239 166 HD1 HIS 22 HD1 HIS 22 7.120 -18.712 -6.282 167 HD2 HIS 22 HD2 HIS 22 10.334 -20.363 -4.203 168 HE1 HIS 22 HE1 HIS 22 6.128 -20.274 -4.552 169 H LEU 23 HN LEU 23 8.666 -15.377 -4.444 170 HA LEU 23 HA LEU 23 11.064 -15.661 -2.674 171 1HB LEU 23 HB2 LEU 23 10.748 -13.393 -3.811 172 2HB LEU 23 HB1 LEU 23 9.293 -13.210 -2.831 173 HG LEU 23 HG LEU 23 10.682 -13.586 -0.784 174 1HD1 LEU 23 HD12 LEU 23 12.848 -13.700 -2.880 175 2HD1 LEU 23 HD11 LEU 23 13.211 -13.202 -1.227 176 3HD1 LEU 23 HD13 LEU 23 12.553 -14.809 -1.540 177 1HD2 LEU 23 HD22 LEU 23 10.301 -11.289 -2.173 178 2HD2 LEU 23 HD21 LEU 23 11.180 -11.351 -0.646 179 3HD2 LEU 23 HD23 LEU 23 12.063 -11.348 -2.172 180 HA PRO 24 HA PRO 24 7.397 -17.636 -0.540 181 1HB PRO 24 HB2 PRO 24 9.465 -18.586 1.282 182 2HB PRO 24 HB1 PRO 24 8.360 -19.519 0.266 183 1HG PRO 24 HG2 PRO 24 11.138 -18.989 -0.163 184 2HG PRO 24 HG1 PRO 24 10.036 -19.946 -1.161 185 1HD PRO 24 HD2 PRO 24 11.178 -17.477 -1.853 186 2HD PRO 24 HD1 PRO 24 9.842 -18.286 -2.687 187 H ASP 25 HN ASP 25 10.184 -15.890 0.814 188 HA ASP 25 HA ASP 25 9.036 -15.296 3.363 189 1HB ASP 25 HB2 ASP 25 11.478 -14.934 2.396 190 2HB ASP 25 HB1 ASP 25 10.850 -13.330 2.012 191 H ASP 26 HN ASP 26 8.936 -13.563 0.259 192 HA ASP 26 HA ASP 26 7.508 -11.269 1.240 193 1HB ASP 26 HB2 ASP 26 8.730 -11.363 -0.945 194 2HB ASP 26 HB1 ASP 26 7.469 -12.431 -1.562 195 H LEU 27 HN LEU 27 6.504 -14.450 0.118 196 HA LEU 27 HA LEU 27 3.691 -13.807 -0.125 197 1HB LEU 27 HB2 LEU 27 5.053 -16.484 0.309 198 2HB LEU 27 HB1 LEU 27 3.379 -16.255 -0.199 199 HG LEU 27 HG LEU 27 5.783 -15.219 -1.728 200 1HD1 LEU 27 HD12 LEU 27 4.237 -17.783 -1.852 201 2HD1 LEU 27 HD11 LEU 27 4.825 -17.076 -3.357 202 3HD1 LEU 27 HD13 LEU 27 5.964 -17.505 -2.082 203 1HD2 LEU 27 HD23 LEU 27 2.829 -15.010 -2.007 204 2HD2 LEU 27 HD22 LEU 27 4.090 -13.894 -2.533 205 3HD2 LEU 27 HD21 LEU 27 3.727 -15.330 -3.490 206 H HIS 28 HN HIS 28 5.796 -14.615 2.523 207 HA HIS 28 HA HIS 28 3.573 -15.314 4.326 208 1HB HIS 28 HB2 HIS 28 6.561 -15.028 4.705 209 2HB HIS 28 HB1 HIS 28 5.462 -15.339 6.048 210 HD1 HIS 28 HD1 HIS 28 3.530 -17.335 4.799 211 HD2 HIS 28 HD2 HIS 28 7.655 -17.536 4.241 212 HE1 HIS 28 HE1 HIS 28 4.051 -19.731 4.166 213 H TYR 29 HN TYR 29 5.596 -12.554 3.549 214 HA TYR 29 HA TYR 29 4.915 -10.982 5.881 215 1HB TYR 29 HB2 TYR 29 6.877 -10.623 4.250 216 2HB TYR 29 HB1 TYR 29 5.695 -9.863 3.184 217 HD1 TYR 29 HD1 TYR 29 6.488 -9.815 6.859 218 HD2 TYR 29 HD2 TYR 29 5.612 -7.546 3.319 219 HE1 TYR 29 HE1 TYR 29 6.661 -7.713 8.164 220 HE2 TYR 29 HE2 TYR 29 5.784 -5.443 4.623 221 HH TYR 29 HH TYR 29 6.012 -5.449 8.093 222 H PHE 30 HN PHE 30 3.367 -11.628 2.822 223 HA PHE 30 HA PHE 30 1.608 -9.362 2.748 224 1HB PHE 30 HB2 PHE 30 2.058 -10.995 0.855 225 2HB PHE 30 HB1 PHE 30 1.001 -12.134 1.689 226 HD1 PHE 30 HD1 PHE 30 1.090 -8.620 0.395 227 HD2 PHE 30 HD2 PHE 30 -1.320 -12.043 1.356 228 HE1 PHE 30 HE1 PHE 30 -0.893 -7.497 -0.581 229 HE2 PHE 30 HE2 PHE 30 -3.304 -10.919 0.380 230 HZ PHE 30 HZ PHE 30 -3.091 -8.647 -0.588 231 H ARG 31 HN ARG 31 1.219 -12.644 4.091 232 HA ARG 31 HA ARG 31 -1.463 -12.263 5.035 233 1HB ARG 31 HB2 ARG 31 -0.073 -14.455 4.801 234 2HB ARG 31 HB1 ARG 31 0.532 -14.057 6.410 235 1HG ARG 31 HG2 ARG 31 -1.879 -13.839 7.155 236 2HG ARG 31 HG1 ARG 31 -2.349 -14.511 5.593 237 1HD ARG 31 HD2 ARG 31 -0.724 -16.441 6.152 238 2HD ARG 31 HD1 ARG 31 -0.781 -15.833 7.806 239 HE ARG 31 HE ARG 31 -3.436 -16.059 7.207 240 1HH1 ARG 31 HH21 ARG 31 -0.732 -18.202 6.791 241 2HH1 ARG 31 HH22 ARG 31 -1.691 -19.635 6.951 242 1HH2 ARG 31 HH11 ARG 31 -4.669 -17.927 7.413 243 2HH2 ARG 31 HH12 ARG 31 -3.909 -19.479 7.302 244 H ALA 32 HN ALA 32 1.680 -11.421 6.343 245 HA ALA 32 HA ALA 32 0.687 -10.845 9.026 246 1HB ALA 32 HB3 ALA 32 3.276 -10.244 7.581 247 2HB ALA 32 HB2 ALA 32 2.961 -9.686 9.224 248 3HB ALA 32 HB1 ALA 32 3.001 -11.414 8.872 249 H GLN 33 HN GLN 33 1.186 -9.055 6.039 250 HA GLN 33 HA GLN 33 0.458 -6.510 7.393 251 1HB GLN 33 HB2 GLN 33 1.585 -7.195 4.678 252 2HB GLN 33 HB1 GLN 33 0.900 -5.603 5.007 253 1HG GLN 33 HG2 GLN 33 2.972 -6.814 6.834 254 2HG GLN 33 HG1 GLN 33 3.440 -5.912 5.392 255 1HE2 GLN 33 HE22 GLN 33 2.676 -3.798 8.621 256 2HE2 GLN 33 HE21 GLN 33 3.223 -5.405 8.583 257 H THR 34 HN THR 34 -1.505 -8.661 7.040 258 HA THR 34 HA THR 34 -3.489 -7.135 5.420 259 HB THR 34 HB THR 34 -4.406 -9.436 4.717 260 HG1 THR 34 HG1 THR 34 -2.020 -10.071 5.976 261 1HG2 THR 34 HG21 THR 34 -1.841 -8.216 3.722 262 2HG2 THR 34 HG23 THR 34 -2.518 -9.645 2.942 263 3HG2 THR 34 HG22 THR 34 -3.449 -8.149 3.001 264 H VAL 35 HN VAL 35 -2.825 -9.487 7.971 265 HA VAL 35 HA VAL 35 -5.550 -9.758 8.873 266 HB VAL 35 HB VAL 35 -4.488 -10.625 10.974 267 1HG1 VAL 35 HG12 VAL 35 -3.553 -11.608 8.273 268 2HG1 VAL 35 HG11 VAL 35 -3.181 -12.477 9.762 269 3HG1 VAL 35 HG13 VAL 35 -4.859 -12.244 9.273 270 1HG2 VAL 35 HG23 VAL 35 -1.991 -9.716 9.519 271 2HG2 VAL 35 HG22 VAL 35 -2.528 -9.244 11.131 272 3HG2 VAL 35 HG21 VAL 35 -1.957 -10.886 10.838 273 H GLY 36 HN GLY 36 -6.750 -8.300 9.981 274 1HA GLY 36 HA2 GLY 36 -7.250 -6.588 11.540 275 2HA GLY 36 HA1 GLY 36 -5.530 -6.470 11.914 276 H LYS 37 HN LYS 37 -6.944 -6.264 8.679 277 HA LYS 37 HA LYS 37 -6.629 -3.335 8.611 278 1HB LYS 37 HB2 LYS 37 -4.910 -5.210 6.961 279 2HB LYS 37 HB1 LYS 37 -5.112 -3.497 6.592 280 1HG LYS 37 HG2 LYS 37 -4.391 -3.068 9.028 281 2HG LYS 37 HG1 LYS 37 -3.842 -4.744 9.031 282 1HD LYS 37 HD2 LYS 37 -2.571 -4.146 6.869 283 2HD LYS 37 HD1 LYS 37 -2.869 -2.464 7.308 284 1HE LYS 37 HE2 LYS 37 -1.888 -3.089 9.614 285 2HE LYS 37 HE1 LYS 37 -1.277 -4.537 8.814 286 1HZ LYS 37 HZ1 LYS 37 -0.812 -1.956 7.519 287 2HZ LYS 37 HZ3 LYS 37 0.108 -2.321 8.897 288 3HZ LYS 37 HZ2 LYS 37 0.161 -3.349 7.545 289 H ILE 38 HN ILE 38 -7.332 -2.491 6.416 290 HA ILE 38 HA ILE 38 -9.624 -4.112 5.464 291 HB ILE 38 HB ILE 38 -8.851 -1.271 4.736 292 1HG1 ILE 38 HG12 ILE 38 -10.898 -2.203 6.770 293 2HG1 ILE 38 HG11 ILE 38 -9.275 -1.663 7.202 294 1HG2 ILE 38 HG23 ILE 38 -11.423 -2.855 4.458 295 2HG2 ILE 38 HG22 ILE 38 -11.258 -1.135 4.102 296 3HG2 ILE 38 HG21 ILE 38 -10.378 -2.323 3.141 297 1HD1 ILE 38 HD12 ILE 38 -9.856 0.459 5.814 298 2HD1 ILE 38 HD11 ILE 38 -11.529 -0.069 5.995 299 3HD1 ILE 38 HD13 ILE 38 -10.560 0.296 7.423 300 H MET 39 HN MET 39 -8.868 -5.605 3.989 301 HA MET 39 HA MET 39 -6.741 -5.060 2.108 302 1HB MET 39 HB2 MET 39 -7.633 -7.350 2.979 303 2HB MET 39 HB1 MET 39 -8.835 -7.187 1.697 304 1HG MET 39 HG2 MET 39 -5.944 -6.743 1.038 305 2HG MET 39 HG1 MET 39 -6.536 -8.394 1.210 306 1HE MET 39 HE1 MET 39 -8.350 -9.316 0.323 307 2HE MET 39 HE3 MET 39 -9.224 -8.918 -1.162 308 3HE MET 39 HE2 MET 39 -7.608 -9.613 -1.247 309 H VAL 40 HN VAL 40 -6.889 -3.949 0.227 310 HA VAL 40 HA VAL 40 -9.558 -3.748 -1.100 311 HB VAL 40 HB VAL 40 -7.560 -1.481 -0.844 312 1HG1 VAL 40 HG12 VAL 40 -10.394 -1.637 -1.916 313 2HG1 VAL 40 HG11 VAL 40 -9.479 -0.143 -1.710 314 3HG1 VAL 40 HG13 VAL 40 -8.931 -1.361 -2.863 315 1HG2 VAL 40 HG23 VAL 40 -8.617 -2.049 1.331 316 2HG2 VAL 40 HG22 VAL 40 -9.174 -0.490 0.726 317 3HG2 VAL 40 HG21 VAL 40 -10.207 -1.912 0.581 318 H VAL 41 HN VAL 41 -9.336 -4.709 -3.054 319 HA VAL 41 HA VAL 41 -6.879 -4.127 -4.640 320 HB VAL 41 HB VAL 41 -6.935 -6.502 -5.452 321 1HG1 VAL 41 HG13 VAL 41 -6.424 -5.773 -2.583 322 2HG1 VAL 41 HG12 VAL 41 -6.218 -7.446 -3.103 323 3HG1 VAL 41 HG11 VAL 41 -5.266 -6.165 -3.855 324 1HG2 VAL 41 HG22 VAL 41 -9.396 -6.738 -4.658 325 2HG2 VAL 41 HG21 VAL 41 -8.324 -8.119 -4.427 326 3HG2 VAL 41 HG23 VAL 41 -8.702 -7.060 -3.069 327 H GLY 42 HN GLY 42 -7.400 -5.204 -6.995 328 1HA GLY 42 HA2 GLY 42 -9.932 -3.893 -7.825 329 2HA GLY 42 HA1 GLY 42 -8.604 -4.335 -8.900 330 H ARG 43 HN ARG 43 -10.826 -5.161 -9.942 331 HA ARG 43 HA ARG 43 -11.871 -7.666 -8.926 332 1HB ARG 43 HB2 ARG 43 -12.945 -7.815 -11.190 333 2HB ARG 43 HB1 ARG 43 -13.260 -6.286 -10.368 334 1HG ARG 43 HG2 ARG 43 -11.441 -5.217 -11.643 335 2HG ARG 43 HG1 ARG 43 -11.114 -6.744 -12.462 336 1HD ARG 43 HD2 ARG 43 -13.860 -5.503 -12.529 337 2HD ARG 43 HD1 ARG 43 -12.617 -5.028 -13.686 338 HE ARG 43 HE ARG 43 -14.087 -7.529 -13.708 339 1HH1 ARG 43 HH21 ARG 43 -11.043 -6.022 -14.437 340 2HH1 ARG 43 HH22 ARG 43 -10.625 -7.181 -15.655 341 1HH2 ARG 43 HH11 ARG 43 -13.534 -9.027 -15.289 342 2HH2 ARG 43 HH12 ARG 43 -12.029 -8.874 -16.134 343 H ARG 44 HN ARG 44 -9.312 -6.755 -11.163 344 HA ARG 44 HA ARG 44 -8.903 -9.383 -12.285 345 1HB ARG 44 HB2 ARG 44 -8.030 -7.046 -13.091 346 2HB ARG 44 HB1 ARG 44 -6.691 -7.366 -11.989 347 1HG ARG 44 HG2 ARG 44 -6.180 -9.449 -13.136 348 2HG ARG 44 HG1 ARG 44 -7.598 -9.268 -14.168 349 1HD ARG 44 HD2 ARG 44 -5.626 -8.542 -15.401 350 2HD ARG 44 HD1 ARG 44 -6.632 -7.137 -15.047 351 HE ARG 44 HE ARG 44 -4.879 -7.204 -12.918 352 1HH1 ARG 44 HH11 ARG 44 -4.521 -7.275 -16.373 353 2HH1 ARG 44 HH12 ARG 44 -2.981 -6.484 -16.349 354 1HH2 ARG 44 HH21 ARG 44 -2.879 -6.177 -12.899 355 2HH2 ARG 44 HH22 ARG 44 -2.057 -5.866 -14.392 356 H THR 45 HN THR 45 -7.268 -7.590 -9.658 357 HA THR 45 HA THR 45 -5.506 -9.762 -8.955 358 HB THR 45 HB THR 45 -6.399 -7.684 -6.973 359 HG1 THR 45 HG1 THR 45 -4.649 -6.426 -8.079 360 1HG2 THR 45 HG21 THR 45 -3.892 -9.221 -7.613 361 2HG2 THR 45 HG23 THR 45 -3.816 -7.734 -6.668 362 3HG2 THR 45 HG22 THR 45 -4.757 -9.105 -6.080 363 H TYR 46 HN TYR 46 -8.807 -8.964 -8.159 364 HA TYR 46 HA TYR 46 -9.034 -10.581 -5.783 365 1HB TYR 46 HB2 TYR 46 -10.654 -8.770 -6.599 366 2HB TYR 46 HB1 TYR 46 -11.274 -9.979 -7.724 367 HD1 TYR 46 HD2 TYR 46 -10.489 -9.513 -4.087 368 HD2 TYR 46 HD1 TYR 46 -12.948 -11.457 -7.025 369 HE1 TYR 46 HE2 TYR 46 -11.878 -10.488 -2.279 370 HE2 TYR 46 HE1 TYR 46 -14.337 -12.432 -5.216 371 HH TYR 46 HH TYR 46 -13.821 -13.013 -2.615 372 H GLU 47 HN GLU 47 -9.359 -11.239 -9.236 373 HA GLU 47 HA GLU 47 -10.237 -14.014 -8.707 374 1HB GLU 47 HB2 GLU 47 -9.914 -12.313 -11.167 375 2HB GLU 47 HB1 GLU 47 -10.018 -14.068 -11.318 376 1HG GLU 47 HG2 GLU 47 -12.181 -14.136 -10.341 377 2HG GLU 47 HG1 GLU 47 -12.039 -12.490 -9.721 378 H SER 48 HN SER 48 -7.359 -12.220 -9.528 379 HA SER 48 HA SER 48 -5.831 -14.508 -10.472 380 1HB SER 48 HB2 SER 48 -5.141 -12.300 -11.172 381 2HB SER 48 HB1 SER 48 -5.008 -11.758 -9.501 382 HG SER 48 HG SER 48 -3.189 -12.985 -11.022 383 H PHE 49 HN PHE 49 -7.146 -14.158 -7.571 384 HA PHE 49 HA PHE 49 -4.819 -14.616 -5.848 385 1HB PHE 49 HB2 PHE 49 -7.798 -14.515 -5.451 386 2HB PHE 49 HB1 PHE 49 -6.779 -15.230 -4.203 387 HD1 PHE 49 HD1 PHE 49 -4.424 -13.705 -4.001 388 HD2 PHE 49 HD2 PHE 49 -8.370 -12.313 -4.967 389 HE1 PHE 49 HE1 PHE 49 -3.822 -11.439 -3.195 390 HE2 PHE 49 HE2 PHE 49 -7.768 -10.047 -4.161 391 HZ PHE 49 HZ PHE 49 -5.494 -9.610 -3.275 392 HA PRO 50 HA PRO 50 -4.799 -19.063 -6.009 393 1HB PRO 50 HB2 PRO 50 -4.194 -19.608 -3.330 394 2HB PRO 50 HB1 PRO 50 -3.025 -19.231 -4.602 395 1HG PRO 50 HG2 PRO 50 -3.740 -17.644 -2.330 396 2HG PRO 50 HG1 PRO 50 -2.551 -17.284 -3.590 397 1HD PRO 50 HD2 PRO 50 -5.250 -16.217 -3.252 398 2HD PRO 50 HD1 PRO 50 -3.942 -15.642 -4.298 399 H LYS 51 HN LYS 51 -6.000 -18.519 -2.690 400 HA LYS 51 HA LYS 51 -8.407 -20.147 -3.409 401 1HB LYS 51 HB2 LYS 51 -8.416 -20.826 -0.985 402 2HB LYS 51 HB1 LYS 51 -7.003 -21.395 -1.874 403 1HG LYS 51 HG2 LYS 51 -5.564 -20.040 -0.724 404 2HG LYS 51 HG1 LYS 51 -6.733 -18.724 -0.610 405 1HD LYS 51 HD2 LYS 51 -7.746 -19.603 1.293 406 2HD LYS 51 HD1 LYS 51 -7.228 -21.250 0.931 407 1HE LYS 51 HE2 LYS 51 -5.387 -18.993 1.777 408 2HE LYS 51 HE1 LYS 51 -5.960 -20.284 2.834 409 1HZ LYS 51 HZ1 LYS 51 -4.741 -21.116 0.329 410 2HZ LYS 51 HZ3 LYS 51 -3.693 -20.424 1.469 411 3HZ LYS 51 HZ2 LYS 51 -4.611 -21.793 1.881 412 H ARG 52 HN ARG 52 -9.205 -17.887 -4.001 413 HA ARG 52 HA ARG 52 -9.702 -15.969 -1.886 414 1HB ARG 52 HB2 ARG 52 -11.243 -14.928 -3.573 415 2HB ARG 52 HB1 ARG 52 -9.615 -15.209 -4.192 416 1HG ARG 52 HG2 ARG 52 -10.308 -17.154 -5.400 417 2HG ARG 52 HG1 ARG 52 -11.866 -17.195 -4.573 418 1HD ARG 52 HD2 ARG 52 -12.732 -15.449 -5.818 419 2HD ARG 52 HD1 ARG 52 -11.149 -14.724 -6.098 420 HE ARG 52 HE ARG 52 -10.914 -16.088 -8.014 421 1HH1 ARG 52 HH11 ARG 52 -13.502 -17.212 -5.985 422 2HH1 ARG 52 HH12 ARG 52 -14.062 -18.373 -7.142 423 1HH2 ARG 52 HH21 ARG 52 -11.652 -17.598 -9.506 424 2HH2 ARG 52 HH22 ARG 52 -13.020 -18.589 -9.125 425 HA PRO 53 HA PRO 53 -11.404 -14.366 -1.655 426 1HB PRO 53 HB2 PRO 53 -12.822 -13.794 0.700 427 2HB PRO 53 HB1 PRO 53 -13.379 -13.499 -0.952 428 1HG PRO 53 HG2 PRO 53 -14.392 -15.389 0.936 429 2HG PRO 53 HG1 PRO 53 -14.941 -15.095 -0.720 430 1HD PRO 53 HD2 PRO 53 -13.289 -17.277 0.311 431 2HD PRO 53 HD1 PRO 53 -14.129 -17.145 -1.242 432 H LEU 54 HN LEU 54 -10.690 -13.020 0.510 433 HA LEU 54 HA LEU 54 -8.773 -14.826 1.916 434 1HB LEU 54 HB2 LEU 54 -8.674 -11.826 1.493 435 2HB LEU 54 HB1 LEU 54 -7.440 -12.785 2.310 436 HG LEU 54 HG LEU 54 -8.323 -13.247 -0.552 437 1HD1 LEU 54 HD12 LEU 54 -7.072 -11.027 0.090 438 2HD1 LEU 54 HD11 LEU 54 -5.671 -12.086 0.256 439 3HD1 LEU 54 HD13 LEU 54 -6.510 -11.970 -1.291 440 1HD2 LEU 54 HD22 LEU 54 -6.030 -14.306 1.131 441 2HD2 LEU 54 HD21 LEU 54 -7.394 -15.235 0.509 442 3HD2 LEU 54 HD23 LEU 54 -6.195 -14.576 -0.604 443 HA PRO 55 HA PRO 55 -11.582 -13.804 5.384 444 1HB PRO 55 HB2 PRO 55 -10.607 -15.978 6.900 445 2HB PRO 55 HB1 PRO 55 -12.094 -15.937 5.943 446 1HG PRO 55 HG2 PRO 55 -9.719 -17.432 5.435 447 2HG PRO 55 HG1 PRO 55 -11.201 -17.374 4.472 448 1HD PRO 55 HD2 PRO 55 -8.631 -16.105 3.954 449 2HD PRO 55 HD1 PRO 55 -10.023 -16.289 2.876 450 H GLU 56 HN GLU 56 -10.967 -13.827 7.911 451 HA GLU 56 HA GLU 56 -9.645 -12.869 9.590 452 1HB GLU 56 HB2 GLU 56 -7.749 -14.353 7.873 453 2HB GLU 56 HB1 GLU 56 -7.015 -13.067 8.832 454 1HG GLU 56 HG2 GLU 56 -6.930 -14.831 10.343 455 2HG GLU 56 HG1 GLU 56 -8.481 -14.106 10.772 456 H ARG 57 HN ARG 57 -10.540 -11.312 7.203 457 HA ARG 57 HA ARG 57 -9.251 -8.833 7.815 458 1HB ARG 57 HB2 ARG 57 -8.104 -8.465 5.625 459 2HB ARG 57 HB1 ARG 57 -7.351 -9.741 6.582 460 1HG ARG 57 HG2 ARG 57 -8.950 -11.333 5.263 461 2HG ARG 57 HG1 ARG 57 -9.069 -9.991 4.124 462 1HD ARG 57 HD2 ARG 57 -7.220 -11.003 3.218 463 2HD ARG 57 HD1 ARG 57 -6.392 -10.047 4.447 464 HE ARG 57 HE ARG 57 -7.130 -12.499 5.655 465 1HH1 ARG 57 HH21 ARG 57 -5.086 -11.318 3.106 466 2HH1 ARG 57 HH22 ARG 57 -3.942 -12.609 3.264 467 1HH2 ARG 57 HH11 ARG 57 -5.638 -14.167 5.852 468 2HH2 ARG 57 HH12 ARG 57 -4.254 -14.214 4.813 469 H THR 58 HN THR 58 -9.825 -7.189 5.893 470 HA THR 58 HA THR 58 -12.686 -7.707 5.268 471 HB THR 58 HB THR 58 -11.266 -5.086 4.835 472 HG1 THR 58 HG1 THR 58 -11.103 -6.209 7.057 473 1HG2 THR 58 HG21 THR 58 -14.082 -6.033 5.304 474 2HG2 THR 58 HG23 THR 58 -13.634 -4.362 5.647 475 3HG2 THR 58 HG22 THR 58 -13.461 -5.005 4.013 476 H ASN 59 HN ASN 59 -13.112 -8.463 3.260 477 HA ASN 59 HA ASN 59 -11.137 -8.101 1.096 478 1HB ASN 59 HB2 ASN 59 -13.784 -9.587 1.154 479 2HB ASN 59 HB1 ASN 59 -12.627 -9.618 -0.177 480 1HD2 ASN 59 HD22 ASN 59 -10.163 -11.248 2.166 481 2HD2 ASN 59 HD21 ASN 59 -10.202 -9.745 1.380 482 H VAL 60 HN VAL 60 -11.254 -6.091 0.178 483 HA VAL 60 HA VAL 60 -13.969 -5.059 -0.543 484 HB VAL 60 HB VAL 60 -11.411 -3.467 -0.189 485 1HG1 VAL 60 HG13 VAL 60 -13.082 -2.464 -1.707 486 2HG1 VAL 60 HG12 VAL 60 -14.317 -2.636 -0.460 487 3HG1 VAL 60 HG11 VAL 60 -12.956 -1.543 -0.208 488 1HG2 VAL 60 HG23 VAL 60 -13.683 -4.122 1.687 489 2HG2 VAL 60 HG22 VAL 60 -11.948 -4.212 1.990 490 3HG2 VAL 60 HG21 VAL 60 -12.743 -2.642 1.880 491 H VAL 61 HN VAL 61 -14.326 -4.473 -2.683 492 HA VAL 61 HA VAL 61 -12.035 -4.766 -4.577 493 HB VAL 61 HB VAL 61 -14.844 -5.803 -5.060 494 1HG1 VAL 61 HG11 VAL 61 -13.477 -5.066 -7.048 495 2HG1 VAL 61 HG13 VAL 61 -12.274 -6.274 -6.597 496 3HG1 VAL 61 HG12 VAL 61 -13.898 -6.778 -7.061 497 1HG2 VAL 61 HG23 VAL 61 -12.284 -7.277 -4.355 498 2HG2 VAL 61 HG22 VAL 61 -13.718 -7.142 -3.337 499 3HG2 VAL 61 HG21 VAL 61 -13.791 -8.050 -4.848 500 H LEU 62 HN LEU 62 -11.829 -2.951 -5.777 501 HA LEU 62 HA LEU 62 -14.110 -1.054 -5.907 502 1HB LEU 62 HB2 LEU 62 -11.783 -0.314 -5.201 503 2HB LEU 62 HB1 LEU 62 -11.271 -0.613 -6.862 504 HG LEU 62 HG LEU 62 -13.234 0.907 -7.553 505 1HD1 LEU 62 HD13 LEU 62 -13.054 1.423 -4.580 506 2HD1 LEU 62 HD12 LEU 62 -13.695 2.629 -5.696 507 3HD1 LEU 62 HD11 LEU 62 -14.489 1.062 -5.540 508 1HD2 LEU 62 HD23 LEU 62 -10.770 1.888 -6.094 509 2HD2 LEU 62 HD22 LEU 62 -11.003 1.714 -7.833 510 3HD2 LEU 62 HD21 LEU 62 -11.853 2.983 -6.953 511 H THR 63 HN THR 63 -15.355 -1.052 -7.701 512 HA THR 63 HA THR 63 -14.098 -1.642 -10.333 513 HB THR 63 HB THR 63 -15.080 -3.763 -9.650 514 HG1 THR 63 HG1 THR 63 -15.726 -2.443 -11.780 515 1HG2 THR 63 HG21 THR 63 -16.629 -2.773 -7.955 516 2HG2 THR 63 HG23 THR 63 -17.666 -2.230 -9.274 517 3HG2 THR 63 HG22 THR 63 -17.416 -3.954 -9.001 518 H HIS 64 HN HIS 64 -14.960 -0.404 -11.993 519 HA HIS 64 HA HIS 64 -16.913 1.675 -11.183 520 1HB HIS 64 HB2 HIS 64 -15.137 1.380 -13.622 521 2HB HIS 64 HB1 HIS 64 -16.268 2.713 -13.384 522 HD1 HIS 64 HD1 HIS 64 -13.323 1.094 -11.578 523 HD2 HIS 64 HD2 HIS 64 -15.210 4.798 -11.901 524 HE1 HIS 64 HE1 HIS 64 -11.921 2.732 -10.248 525 H GLN 65 HN GLN 65 -17.714 -1.138 -11.715 526 HA GLN 65 HA GLN 65 -19.844 -0.530 -13.681 527 1HB GLN 65 HB2 GLN 65 -19.459 -2.731 -14.823 528 2HB GLN 65 HB1 GLN 65 -18.146 -1.578 -15.071 529 1HG GLN 65 HG2 GLN 65 -16.803 -2.651 -13.359 530 2HG GLN 65 HG1 GLN 65 -18.140 -3.716 -12.923 531 1HE2 GLN 65 HE22 GLN 65 -17.112 -6.110 -15.276 532 2HE2 GLN 65 HE21 GLN 65 -17.803 -5.772 -13.763 533 H GLU 66 HN GLU 66 -21.759 -1.624 -13.212 534 HA GLU 66 HA GLU 66 -21.836 -3.004 -10.603 535 1HB GLU 66 HB2 GLU 66 -23.524 -1.223 -11.431 536 2HB GLU 66 HB1 GLU 66 -24.198 -2.521 -12.418 537 1HG GLU 66 HG2 GLU 66 -24.762 -3.824 -10.516 538 2HG GLU 66 HG1 GLU 66 -23.741 -2.856 -9.452 539 H ASP 67 HN ASP 67 -20.588 -4.306 -12.961 540 HA ASP 67 HA ASP 67 -22.490 -6.541 -13.472 541 1HB ASP 67 HB2 ASP 67 -19.932 -5.646 -14.813 542 2HB ASP 67 HB1 ASP 67 -20.654 -7.222 -15.139 543 H TYR 68 HN TYR 68 -19.319 -5.802 -12.098 544 HA TYR 68 HA TYR 68 -18.673 -8.589 -11.536 545 1HB TYR 68 HB2 TYR 68 -17.046 -6.575 -11.812 546 2HB TYR 68 HB1 TYR 68 -17.438 -6.227 -10.129 547 HD1 TYR 68 HD2 TYR 68 -16.948 -7.904 -8.350 548 HD2 TYR 68 HD1 TYR 68 -15.681 -8.461 -12.417 549 HE1 TYR 68 HE2 TYR 68 -15.358 -9.659 -7.614 550 HE2 TYR 68 HE1 TYR 68 -14.091 -10.216 -11.680 551 HH TYR 68 HH TYR 68 -14.180 -11.574 -8.539 552 H GLN 69 HN GLN 69 -19.165 -9.732 -9.703 553 HA GLN 69 HA GLN 69 -20.131 -8.292 -7.299 554 1HB GLN 69 HB2 GLN 69 -21.749 -10.250 -8.929 555 2HB GLN 69 HB1 GLN 69 -22.061 -10.011 -7.209 556 1HG GLN 69 HG2 GLN 69 -22.273 -7.544 -7.665 557 2HG GLN 69 HG1 GLN 69 -22.165 -7.908 -9.388 558 1HE2 GLN 69 HE22 GLN 69 -25.347 -9.778 -9.270 559 2HE2 GLN 69 HE21 GLN 69 -23.763 -10.046 -9.818 560 H ALA 70 HN ALA 70 -18.903 -9.126 -5.694 561 HA ALA 70 HA ALA 70 -18.065 -11.986 -5.876 562 1HB ALA 70 HB3 ALA 70 -16.372 -10.017 -5.636 563 2HB ALA 70 HB2 ALA 70 -16.902 -9.978 -3.955 564 3HB ALA 70 HB1 ALA 70 -16.160 -11.437 -4.612 565 H GLN 71 HN GLN 71 -18.834 -13.411 -4.378 566 HA GLN 71 HA GLN 71 -20.779 -12.444 -2.395 567 1HB GLN 71 HB2 GLN 71 -19.816 -15.222 -3.141 568 2HB GLN 71 HB1 GLN 71 -21.047 -14.905 -1.916 569 1HG GLN 71 HG2 GLN 71 -22.349 -13.644 -3.678 570 2HG GLN 71 HG1 GLN 71 -21.185 -14.232 -4.867 571 1HE2 GLN 71 HE22 GLN 71 -22.375 -17.610 -4.744 572 2HE2 GLN 71 HE21 GLN 71 -21.023 -16.653 -5.110 573 H GLY 72 HN GLY 72 -20.445 -12.386 -0.189 574 1HA GLY 72 HA2 GLY 72 -19.316 -12.562 1.870 575 2HA GLY 72 HA1 GLY 72 -18.253 -13.756 1.123 576 H ALA 73 HN ALA 73 -18.806 -10.441 -0.002 577 HA ALA 73 HA ALA 73 -16.249 -9.494 1.070 578 1HB ALA 73 HB2 ALA 73 -16.624 -9.951 -1.904 579 2HB ALA 73 HB1 ALA 73 -15.325 -8.983 -1.209 580 3HB ALA 73 HB3 ALA 73 -15.420 -10.710 -0.863 581 H VAL 74 HN VAL 74 -16.151 -7.231 1.049 582 HA VAL 74 HA VAL 74 -18.677 -5.853 0.524 583 HB VAL 74 HB VAL 74 -16.002 -4.684 1.346 584 1HG1 VAL 74 HG12 VAL 74 -18.861 -3.694 1.439 585 2HG1 VAL 74 HG11 VAL 74 -17.559 -2.948 2.366 586 3HG1 VAL 74 HG13 VAL 74 -17.494 -2.959 0.603 587 1HG2 VAL 74 HG22 VAL 74 -18.235 -5.971 2.917 588 2HG2 VAL 74 HG21 VAL 74 -16.499 -6.262 3.036 589 3HG2 VAL 74 HG23 VAL 74 -17.187 -4.760 3.655 590 H VAL 75 HN VAL 75 -18.991 -5.820 -1.722 591 HA VAL 75 HA VAL 75 -16.858 -4.965 -3.534 592 HB VAL 75 HB VAL 75 -19.825 -5.269 -4.089 593 1HG1 VAL 75 HG12 VAL 75 -18.257 -4.010 -5.714 594 2HG1 VAL 75 HG11 VAL 75 -17.517 -5.583 -6.011 595 3HG1 VAL 75 HG13 VAL 75 -19.223 -5.328 -6.379 596 1HG2 VAL 75 HG21 VAL 75 -17.543 -7.262 -4.170 597 2HG2 VAL 75 HG23 VAL 75 -19.030 -7.373 -3.227 598 3HG2 VAL 75 HG22 VAL 75 -19.085 -7.529 -4.983 599 H VAL 76 HN VAL 76 -16.264 -2.843 -3.345 600 HA VAL 76 HA VAL 76 -18.350 -0.780 -2.904 601 HB VAL 76 HB VAL 76 -16.378 0.754 -2.666 602 1HG1 VAL 76 HG12 VAL 76 -17.368 -0.421 -0.714 603 2HG1 VAL 76 HG11 VAL 76 -16.252 -1.763 -0.976 604 3HG1 VAL 76 HG13 VAL 76 -15.632 -0.175 -0.521 605 1HG2 VAL 76 HG23 VAL 76 -14.870 -1.842 -3.106 606 2HG2 VAL 76 HG22 VAL 76 -14.792 -0.392 -4.108 607 3HG2 VAL 76 HG21 VAL 76 -14.136 -0.369 -2.471 608 H HIS 77 HN HIS 77 -18.607 0.991 -4.370 609 HA HIS 77 HA HIS 77 -17.353 0.621 -7.058 610 1HB HIS 77 HB2 HIS 77 -20.267 1.239 -6.473 611 2HB HIS 77 HB1 HIS 77 -19.535 1.256 -8.078 612 HD1 HIS 77 HD1 HIS 77 -19.719 -0.896 -9.311 613 HD2 HIS 77 HD2 HIS 77 -19.819 -1.491 -5.186 614 HE1 HIS 77 HE1 HIS 77 -20.066 -3.380 -8.954 615 H ASP 78 HN ASP 78 -16.760 2.456 -4.798 616 HA ASP 78 HA ASP 78 -16.621 4.923 -6.339 617 1HB ASP 78 HB2 ASP 78 -18.981 4.836 -5.263 618 2HB ASP 78 HB1 ASP 78 -18.138 5.118 -3.738 619 H VAL 79 HN VAL 79 -15.018 6.293 -5.505 620 HA VAL 79 HA VAL 79 -13.108 5.120 -3.699 621 HB VAL 79 HB VAL 79 -13.328 8.024 -4.547 622 1HG1 VAL 79 HG13 VAL 79 -11.751 7.265 -2.638 623 2HG1 VAL 79 HG12 VAL 79 -10.831 6.455 -3.906 624 3HG1 VAL 79 HG11 VAL 79 -11.048 8.205 -3.954 625 1HG2 VAL 79 HG22 VAL 79 -11.985 5.653 -5.885 626 2HG2 VAL 79 HG21 VAL 79 -13.333 6.594 -6.524 627 3HG2 VAL 79 HG23 VAL 79 -11.740 7.333 -6.359 628 H ALA 80 HN ALA 80 -15.730 7.441 -3.303 629 HA ALA 80 HA ALA 80 -14.996 8.304 -0.648 630 1HB ALA 80 HB1 ALA 80 -17.642 8.311 -2.126 631 2HB ALA 80 HB3 ALA 80 -17.409 9.046 -0.540 632 3HB ALA 80 HB2 ALA 80 -16.524 9.663 -1.936 633 H ALA 81 HN ALA 81 -16.886 5.620 -1.930 634 HA ALA 81 HA ALA 81 -18.065 4.806 0.567 635 1HB ALA 81 HB1 ALA 81 -17.411 3.163 -1.899 636 2HB ALA 81 HB3 ALA 81 -18.476 2.657 -0.587 637 3HB ALA 81 HB2 ALA 81 -18.923 4.024 -1.609 638 H VAL 82 HN VAL 82 -14.987 4.123 -1.017 639 HA VAL 82 HA VAL 82 -14.191 1.983 0.748 640 HB VAL 82 HB VAL 82 -12.412 3.890 -0.801 641 1HG1 VAL 82 HG11 VAL 82 -11.283 2.472 0.900 642 2HG1 VAL 82 HG13 VAL 82 -11.983 1.040 0.145 643 3HG1 VAL 82 HG12 VAL 82 -10.820 2.025 -0.742 644 1HG2 VAL 82 HG21 VAL 82 -14.051 1.510 -1.614 645 2HG2 VAL 82 HG23 VAL 82 -13.759 3.014 -2.489 646 3HG2 VAL 82 HG22 VAL 82 -12.497 1.786 -2.400 647 H PHE 83 HN PHE 83 -13.566 5.493 0.724 648 HA PHE 83 HA PHE 83 -11.946 5.450 3.122 649 1HB PHE 83 HB2 PHE 83 -13.364 7.629 1.586 650 2HB PHE 83 HB1 PHE 83 -12.525 7.967 3.099 651 HD1 PHE 83 HD2 PHE 83 -10.103 6.683 3.203 652 HD2 PHE 83 HD1 PHE 83 -12.128 8.015 -0.343 653 HE1 PHE 83 HE2 PHE 83 -7.940 6.745 1.991 654 HE2 PHE 83 HE1 PHE 83 -9.965 8.076 -1.554 655 HZ PHE 83 HZ PHE 83 -7.871 7.442 -0.387 656 H ALA 84 HN ALA 84 -15.382 5.723 2.457 657 HA ALA 84 HA ALA 84 -16.191 6.692 5.041 658 1HB ALA 84 HB1 ALA 84 -17.597 5.194 2.831 659 2HB ALA 84 HB3 ALA 84 -18.414 5.551 4.353 660 3HB ALA 84 HB2 ALA 84 -17.822 6.868 3.340 661 H TYR 85 HN TYR 85 -15.576 3.464 3.739 662 HA TYR 85 HA TYR 85 -16.628 2.033 6.023 663 1HB TYR 85 HB2 TYR 85 -16.210 1.086 3.689 664 2HB TYR 85 HB1 TYR 85 -14.497 1.045 4.113 665 HD1 TYR 85 HD2 TYR 85 -13.670 -0.434 5.897 666 HD2 TYR 85 HD1 TYR 85 -17.806 -0.418 4.738 667 HE1 TYR 85 HE2 TYR 85 -14.017 -2.571 7.107 668 HE2 TYR 85 HE1 TYR 85 -18.153 -2.556 5.947 669 HH TYR 85 HH TYR 85 -15.496 -4.092 7.760 670 H ALA 86 HN ALA 86 -13.484 3.382 5.168 671 HA ALA 86 HA ALA 86 -12.033 2.102 7.327 672 1HB ALA 86 HB1 ALA 86 -10.967 3.047 5.254 673 2HB ALA 86 HB3 ALA 86 -11.333 4.662 5.861 674 3HB ALA 86 HB2 ALA 86 -10.227 3.615 6.750 675 H LYS 87 HN LYS 87 -13.878 5.077 6.982 676 HA LYS 87 HA LYS 87 -12.949 6.335 9.406 677 1HB LYS 87 HB2 LYS 87 -14.232 7.406 7.442 678 2HB LYS 87 HB1 LYS 87 -15.683 6.739 8.191 679 1HG LYS 87 HG2 LYS 87 -15.241 7.952 10.251 680 2HG LYS 87 HG1 LYS 87 -13.695 8.524 9.622 681 1HD LYS 87 HD2 LYS 87 -14.809 9.814 7.895 682 2HD LYS 87 HD1 LYS 87 -16.375 9.139 8.346 683 1HE LYS 87 HE2 LYS 87 -16.306 10.236 10.497 684 2HE LYS 87 HE1 LYS 87 -14.642 10.756 10.233 685 1HZ LYS 87 HZ2 LYS 87 -15.863 11.740 8.067 686 2HZ LYS 87 HZ1 LYS 87 -17.110 11.868 9.213 687 3HZ LYS 87 HZ3 LYS 87 -15.617 12.619 9.500 688 H GLN 88 HN GLN 88 -15.805 4.332 8.647 689 HA GLN 88 HA GLN 88 -16.888 4.376 11.308 690 1HB GLN 88 HB2 GLN 88 -18.165 2.356 10.543 691 2HB GLN 88 HB1 GLN 88 -18.282 3.717 9.427 692 1HG GLN 88 HG2 GLN 88 -16.663 2.746 7.941 693 2HG GLN 88 HG1 GLN 88 -16.241 1.503 9.118 694 1HE2 GLN 88 HE22 GLN 88 -19.354 -0.312 8.582 695 2HE2 GLN 88 HE21 GLN 88 -18.327 0.159 9.848 696 H HIS 89 HN HIS 89 -14.367 2.502 9.777 697 HA HIS 89 HA HIS 89 -14.080 0.915 12.300 698 1HB HIS 89 HB2 HIS 89 -13.659 0.185 9.413 699 2HB HIS 89 HB1 HIS 89 -12.742 -0.648 10.669 700 HD1 HIS 89 HD1 HIS 89 -13.907 -2.851 10.942 701 HD2 HIS 89 HD2 HIS 89 -16.606 0.324 10.792 702 HE1 HIS 89 HE1 HIS 89 -16.194 -3.832 11.414 703 HA PRO 90 HA PRO 90 -10.283 3.511 12.060 704 1HB PRO 90 HB2 PRO 90 -10.270 3.942 14.827 705 2HB PRO 90 HB1 PRO 90 -10.920 5.047 13.608 706 1HG PRO 90 HG2 PRO 90 -12.354 3.546 15.580 707 2HG PRO 90 HG1 PRO 90 -12.997 4.674 14.377 708 1HD PRO 90 HD2 PRO 90 -13.023 1.750 14.357 709 2HD PRO 90 HD1 PRO 90 -13.937 2.886 13.349 710 H ASP 91 HN ASP 91 -11.208 0.742 13.954 711 HA ASP 91 HA ASP 91 -8.677 0.186 15.192 712 1HB ASP 91 HB2 ASP 91 -10.981 -0.874 15.682 713 2HB ASP 91 HB1 ASP 91 -10.642 -1.931 14.310 714 H GLN 92 HN GLN 92 -9.912 -0.301 11.965 715 HA GLN 92 HA GLN 92 -7.523 -1.947 11.268 716 1HB GLN 92 HB2 GLN 92 -10.168 -1.473 9.878 717 2HB GLN 92 HB1 GLN 92 -8.806 -2.253 9.075 718 1HG GLN 92 HG2 GLN 92 -8.748 -3.994 10.792 719 2HG GLN 92 HG1 GLN 92 -10.048 -3.194 11.677 720 1HE2 GLN 92 HE22 GLN 92 -11.139 -5.856 9.002 721 2HE2 GLN 92 HE21 GLN 92 -9.680 -5.840 9.869 722 H GLU 93 HN GLU 93 -6.878 -1.394 8.811 723 HA GLU 93 HA GLU 93 -6.831 1.557 8.425 724 1HB GLU 93 HB2 GLU 93 -4.438 -0.268 8.689 725 2HB GLU 93 HB1 GLU 93 -4.340 1.270 7.829 726 1HG GLU 93 HG2 GLU 93 -5.431 1.066 10.641 727 2HG GLU 93 HG1 GLU 93 -3.716 1.323 10.314 728 H LEU 94 HN LEU 94 -6.493 2.172 6.223 729 HA LEU 94 HA LEU 94 -7.414 0.214 4.280 730 1HB LEU 94 HB2 LEU 94 -7.852 2.766 4.301 731 2HB LEU 94 HB1 LEU 94 -6.236 2.910 3.606 732 HG LEU 94 HG LEU 94 -7.005 1.192 1.862 733 1HD1 LEU 94 HD12 LEU 94 -9.610 1.890 3.220 734 2HD1 LEU 94 HD11 LEU 94 -9.563 1.350 1.542 735 3HD1 LEU 94 HD13 LEU 94 -8.975 0.294 2.826 736 1HD2 LEU 94 HD23 LEU 94 -8.008 4.018 2.110 737 2HD2 LEU 94 HD22 LEU 94 -6.763 3.373 1.040 738 3HD2 LEU 94 HD21 LEU 94 -8.465 3.049 0.709 739 H VAL 95 HN VAL 95 -6.197 -0.902 2.782 740 HA VAL 95 HA VAL 95 -3.319 -0.236 2.482 741 HB VAL 95 HB VAL 95 -4.289 -3.032 3.149 742 1HG1 VAL 95 HG12 VAL 95 -1.511 -1.837 2.886 743 2HG1 VAL 95 HG11 VAL 95 -1.872 -3.503 3.344 744 3HG1 VAL 95 HG13 VAL 95 -2.274 -2.926 1.726 745 1HG2 VAL 95 HG22 VAL 95 -3.006 -0.873 4.836 746 2HG2 VAL 95 HG21 VAL 95 -4.492 -1.767 5.163 747 3HG2 VAL 95 HG23 VAL 95 -2.931 -2.579 5.278 748 H ILE 96 HN ILE 96 -3.047 -0.063 0.319 749 HA ILE 96 HA ILE 96 -4.826 -1.562 -1.511 750 HB ILE 96 HB ILE 96 -2.648 0.437 -2.183 751 1HG1 ILE 96 HG12 ILE 96 -4.331 1.458 -0.691 752 2HG1 ILE 96 HG11 ILE 96 -4.471 2.102 -2.326 753 1HG2 ILE 96 HG23 ILE 96 -3.468 -1.092 -4.004 754 2HG2 ILE 96 HG22 ILE 96 -5.086 -0.433 -3.760 755 3HG2 ILE 96 HG21 ILE 96 -3.781 0.615 -4.315 756 1HD1 ILE 96 HD12 ILE 96 -6.284 0.377 -2.744 757 2HD1 ILE 96 HD11 ILE 96 -6.235 0.012 -1.021 758 3HD1 ILE 96 HD13 ILE 96 -6.705 1.621 -1.567 759 H ALA 97 HN ALA 97 -4.168 -3.395 -2.530 760 HA ALA 97 HA ALA 97 -1.282 -4.139 -2.319 761 1HB ALA 97 HB1 ALA 97 -3.838 -5.682 -2.301 762 2HB ALA 97 HB3 ALA 97 -2.432 -6.450 -3.040 763 3HB ALA 97 HB2 ALA 97 -2.369 -5.930 -1.356 764 H GLY 98 HN GLY 98 -3.964 -3.692 -4.548 765 1HA GLY 98 HA2 GLY 98 -2.489 -3.029 -6.801 766 2HA GLY 98 HA1 GLY 98 -2.580 -4.790 -6.858 767 H GLY 99 HN GLY 99 -5.552 -3.678 -8.750 768 1HA GLY 99 HA2 GLY 99 -2.683 -4.338 -8.919 769 2HA GLY 99 HA1 GLY 99 -3.787 -4.138 -10.280 770 H ALA 100 HN ALA 100 -2.308 -2.714 -11.351 771 HA ALA 100 HA ALA 100 -1.257 -0.329 -10.122 772 1HB ALA 100 HB2 ALA 100 -1.589 -1.263 -12.969 773 2HB ALA 100 HB1 ALA 100 -1.022 0.370 -12.619 774 3HB ALA 100 HB3 ALA 100 -0.100 -1.024 -12.053 775 H GLN 101 HN GLN 101 -4.268 -1.105 -11.749 776 HA GLN 101 HA GLN 101 -5.116 1.622 -12.200 777 1HB GLN 101 HB2 GLN 101 -6.623 -0.997 -12.015 778 2HB GLN 101 HB1 GLN 101 -7.413 0.539 -12.372 779 1HG GLN 101 HG2 GLN 101 -5.954 0.848 -14.331 780 2HG GLN 101 HG1 GLN 101 -5.141 -0.675 -13.973 781 1HE2 GLN 101 HE22 GLN 101 -7.652 -2.653 -15.462 782 2HE2 GLN 101 HE21 GLN 101 -6.139 -2.605 -14.693 783 H ILE 102 HN ILE 102 -5.316 -0.606 -9.489 784 HA ILE 102 HA ILE 102 -7.246 0.982 -7.995 785 HB ILE 102 HB ILE 102 -5.303 -1.103 -6.962 786 1HG1 ILE 102 HG12 ILE 102 -6.664 -2.005 -8.815 787 2HG1 ILE 102 HG11 ILE 102 -7.158 -2.708 -7.278 788 1HG2 ILE 102 HG22 ILE 102 -6.368 0.293 -5.229 789 2HG2 ILE 102 HG21 ILE 102 -7.956 -0.089 -5.896 790 3HG2 ILE 102 HG23 ILE 102 -6.976 -1.362 -5.169 791 1HD1 ILE 102 HD12 ILE 102 -9.018 -1.061 -7.146 792 2HD1 ILE 102 HD11 ILE 102 -8.544 -0.428 -8.722 793 3HD1 ILE 102 HD13 ILE 102 -9.138 -2.082 -8.580 794 H PHE 103 HN PHE 103 -3.711 0.695 -8.080 795 HA PHE 103 HA PHE 103 -3.167 2.338 -5.800 796 1HB PHE 103 HB2 PHE 103 -1.567 1.710 -8.291 797 2HB PHE 103 HB1 PHE 103 -0.932 2.709 -6.984 798 HD1 PHE 103 HD2 PHE 103 -1.734 1.530 -4.538 799 HD2 PHE 103 HD1 PHE 103 -0.707 -0.451 -8.209 800 HE1 PHE 103 HE2 PHE 103 -1.134 -0.512 -3.267 801 HE2 PHE 103 HE1 PHE 103 -0.109 -2.494 -6.937 802 HZ PHE 103 HZ PHE 103 -0.322 -2.525 -4.466 803 H THR 104 HN THR 104 -3.300 3.145 -9.282 804 HA THR 104 HA THR 104 -2.859 5.951 -8.948 805 HB THR 104 HB THR 104 -4.571 4.814 -11.152 806 HG1 THR 104 HG1 THR 104 -2.038 4.742 -11.850 807 1HG2 THR 104 HG21 THR 104 -4.022 7.282 -10.938 808 2HG2 THR 104 HG23 THR 104 -2.334 6.850 -11.212 809 3HG2 THR 104 HG22 THR 104 -3.538 6.538 -12.462 810 H ALA 105 HN ALA 105 -5.676 3.948 -8.514 811 HA ALA 105 HA ALA 105 -7.658 6.039 -8.709 812 1HB ALA 105 HB3 ALA 105 -8.218 3.624 -8.859 813 2HB ALA 105 HB2 ALA 105 -7.766 3.427 -7.166 814 3HB ALA 105 HB1 ALA 105 -9.149 4.432 -7.599 815 H PHE 106 HN PHE 106 -5.573 4.856 -6.135 816 HA PHE 106 HA PHE 106 -6.769 6.904 -4.307 817 1HB PHE 106 HB2 PHE 106 -5.430 4.254 -3.715 818 2HB PHE 106 HB1 PHE 106 -5.721 5.474 -2.475 819 HD1 PHE 106 HD2 PHE 106 -8.054 6.180 -1.932 820 HD2 PHE 106 HD1 PHE 106 -7.221 2.925 -4.609 821 HE1 PHE 106 HE2 PHE 106 -10.395 5.394 -1.703 822 HE2 PHE 106 HE1 PHE 106 -9.562 2.140 -4.380 823 HZ PHE 106 HZ PHE 106 -11.149 3.374 -2.928 824 H LYS 107 HN LYS 107 -4.469 6.961 -6.387 825 HA LYS 107 HA LYS 107 -2.024 7.304 -4.894 826 1HB LYS 107 HB2 LYS 107 -1.213 8.435 -6.969 827 2HB LYS 107 HB1 LYS 107 -1.961 6.873 -7.297 828 1HG LYS 107 HG2 LYS 107 -3.118 8.074 -8.863 829 2HG LYS 107 HG1 LYS 107 -4.141 8.472 -7.483 830 1HD LYS 107 HD2 LYS 107 -3.316 10.615 -7.310 831 2HD LYS 107 HD1 LYS 107 -1.725 10.165 -7.925 832 1HE LYS 107 HE2 LYS 107 -2.936 9.756 -10.177 833 2HE LYS 107 HE1 LYS 107 -4.255 10.694 -9.477 834 1HZ LYS 107 HZ3 LYS 107 -2.152 12.229 -8.893 835 2HZ LYS 107 HZ2 LYS 107 -1.636 11.555 -10.365 836 3HZ LYS 107 HZ1 LYS 107 -3.098 12.418 -10.288 837 H ASP 108 HN ASP 108 -4.733 9.393 -5.637 838 HA ASP 108 HA ASP 108 -3.339 11.857 -4.905 839 1HB ASP 108 HB2 ASP 108 -5.375 11.612 -6.481 840 2HB ASP 108 HB1 ASP 108 -6.333 11.502 -5.005 841 H ASP 109 HN ASP 109 -3.667 9.465 -2.979 842 HA ASP 109 HA ASP 109 -4.157 11.098 -0.602 843 1HB ASP 109 HB2 ASP 109 -6.121 9.030 -1.544 844 2HB ASP 109 HB1 ASP 109 -5.867 9.252 0.187 845 H VAL 110 HN VAL 110 -1.929 9.597 -1.665 846 HA VAL 110 HA VAL 110 -1.763 7.222 0.110 847 HB VAL 110 HB VAL 110 -1.050 6.956 -2.240 848 1HG1 VAL 110 HG13 VAL 110 1.027 9.052 -1.538 849 2HG1 VAL 110 HG12 VAL 110 0.968 8.137 -3.044 850 3HG1 VAL 110 HG11 VAL 110 -0.325 9.271 -2.650 851 1HG2 VAL 110 HG21 VAL 110 0.117 5.793 -0.244 852 2HG2 VAL 110 HG23 VAL 110 0.956 5.780 -1.795 853 3HG2 VAL 110 HG22 VAL 110 1.444 6.917 -0.538 854 H ASP 111 HN ASP 111 -0.320 7.120 1.831 855 HA ASP 111 HA ASP 111 1.208 9.624 2.432 856 1HB ASP 111 HB2 ASP 111 0.822 9.069 4.851 857 2HB ASP 111 HB1 ASP 111 -0.662 9.449 3.974 858 H THR 112 HN THR 112 1.036 6.109 3.050 859 HA THR 112 HA THR 112 3.968 6.112 3.580 860 HB THR 112 HB THR 112 2.051 3.788 3.891 861 HG1 THR 112 HG1 THR 112 1.590 5.811 5.128 862 1HG2 THR 112 HG21 THR 112 4.812 4.457 4.928 863 2HG2 THR 112 HG23 THR 112 3.826 3.161 5.607 864 3HG2 THR 112 HG22 THR 112 4.336 3.089 3.920 865 H LEU 113 HN LEU 113 5.333 4.625 2.412 866 HA LEU 113 HA LEU 113 4.139 3.459 -0.059 867 1HB LEU 113 HB2 LEU 113 6.439 5.390 0.155 868 2HB LEU 113 HB1 LEU 113 6.366 4.235 -1.177 869 HG LEU 113 HG LEU 113 4.013 5.995 -0.483 870 1HD1 LEU 113 HD11 LEU 113 6.398 6.592 -2.246 871 2HD1 LEU 113 HD13 LEU 113 4.851 7.419 -2.429 872 3HD1 LEU 113 HD12 LEU 113 5.760 7.569 -0.925 873 1HD2 LEU 113 HD23 LEU 113 3.894 3.899 -1.993 874 2HD2 LEU 113 HD22 LEU 113 3.235 5.400 -2.643 875 3HD2 LEU 113 HD21 LEU 113 4.828 4.842 -3.154 876 H LEU 114 HN LEU 114 4.391 1.337 0.665 877 HA LEU 114 HA LEU 114 7.105 0.485 1.548 878 1HB LEU 114 HB2 LEU 114 4.412 -0.909 1.644 879 2HB LEU 114 HB1 LEU 114 5.927 -1.650 2.161 880 HG LEU 114 HG LEU 114 5.051 1.011 3.273 881 1HD1 LEU 114 HD13 LEU 114 4.332 -1.744 4.321 882 2HD1 LEU 114 HD12 LEU 114 4.045 -0.224 5.169 883 3HD1 LEU 114 HD11 LEU 114 3.199 -0.566 3.660 884 1HD2 LEU 114 HD21 LEU 114 6.936 -1.210 4.082 885 2HD2 LEU 114 HD23 LEU 114 7.311 0.489 3.793 886 3HD2 LEU 114 HD22 LEU 114 6.404 0.019 5.231 887 H VAL 115 HN VAL 115 8.364 -0.045 -0.179 888 HA VAL 115 HA VAL 115 7.116 -1.677 -2.353 889 HB VAL 115 HB VAL 115 7.804 0.566 -3.127 890 1HG1 VAL 115 HG12 VAL 115 9.626 0.816 -1.390 891 2HG1 VAL 115 HG11 VAL 115 10.622 -0.251 -2.379 892 3HG1 VAL 115 HG13 VAL 115 10.092 1.304 -3.021 893 1HG2 VAL 115 HG22 VAL 115 8.112 -1.607 -4.512 894 2HG2 VAL 115 HG21 VAL 115 8.942 -0.154 -5.068 895 3HG2 VAL 115 HG23 VAL 115 9.833 -1.398 -4.192 896 H THR 116 HN THR 116 8.203 -3.545 -2.975 897 HA THR 116 HA THR 116 10.537 -4.311 -1.270 898 HB THR 116 HB THR 116 8.626 -6.119 -2.783 899 HG1 THR 116 HG1 THR 116 7.908 -6.542 -0.581 900 1HG2 THR 116 HG23 THR 116 11.010 -6.898 -2.216 901 2HG2 THR 116 HG22 THR 116 10.502 -6.833 -0.528 902 3HG2 THR 116 HG21 THR 116 9.684 -7.916 -1.653 903 H ARG 117 HN ARG 117 12.323 -3.753 -2.478 904 HA ARG 117 HA ARG 117 12.352 -4.221 -5.390 905 1HB ARG 117 HB2 ARG 117 14.371 -3.048 -3.461 906 2HB ARG 117 HB1 ARG 117 14.693 -3.267 -5.181 907 1HG ARG 117 HG2 ARG 117 12.671 -1.890 -5.692 908 2HG ARG 117 HG1 ARG 117 12.479 -1.592 -3.964 909 1HD ARG 117 HD2 ARG 117 14.635 -0.486 -3.857 910 2HD ARG 117 HD1 ARG 117 14.980 -0.911 -5.534 911 HE ARG 117 HE ARG 117 13.199 1.242 -4.626 912 1HH1 ARG 117 HH21 ARG 117 14.178 -0.870 -7.206 913 2HH1 ARG 117 HH22 ARG 117 13.550 0.162 -8.448 914 1HH2 ARG 117 HH11 ARG 117 12.388 2.572 -6.247 915 2HH2 ARG 117 HH12 ARG 117 12.542 2.100 -7.907 916 H LEU 118 HN LEU 118 13.493 -5.860 -6.391 917 HA LEU 118 HA LEU 118 14.844 -7.829 -4.587 918 1HB LEU 118 HB2 LEU 118 12.934 -8.126 -6.821 919 2HB LEU 118 HB1 LEU 118 14.314 -9.221 -6.897 920 HG LEU 118 HG LEU 118 13.847 -9.808 -4.474 921 1HD1 LEU 118 HD13 LEU 118 11.296 -8.288 -5.099 922 2HD1 LEU 118 HD12 LEU 118 11.536 -9.310 -3.681 923 3HD1 LEU 118 HD11 LEU 118 12.503 -7.850 -3.889 924 1HD2 LEU 118 HD22 LEU 118 13.159 -11.251 -6.371 925 2HD2 LEU 118 HD21 LEU 118 11.999 -11.329 -5.045 926 3HD2 LEU 118 HD23 LEU 118 11.637 -10.367 -6.478 927 H ALA 119 HN ALA 119 16.906 -8.523 -5.164 928 HA ALA 119 HA ALA 119 18.416 -6.821 -6.968 929 1HB ALA 119 HB2 ALA 119 19.140 -9.354 -5.469 930 2HB ALA 119 HB1 ALA 119 20.293 -8.419 -6.422 931 3HB ALA 119 HB3 ALA 119 19.527 -7.697 -5.006 932 H GLY 120 HN GLY 120 16.983 -10.033 -7.150 933 1HA GLY 120 HA2 GLY 120 18.321 -10.804 -9.604 934 2HA GLY 120 HA1 GLY 120 16.898 -11.588 -8.917 935 H SER 121 HN SER 121 17.736 -10.339 -11.687 936 HA SER 121 HA SER 121 15.594 -8.382 -12.124 937 1HB SER 121 HB2 SER 121 17.700 -9.652 -13.863 938 2HB SER 121 HB1 SER 121 16.379 -8.734 -14.581 939 HG SER 121 HG SER 121 17.902 -7.703 -12.440 940 H PHE 122 HN PHE 122 13.661 -8.778 -13.212 941 HA PHE 122 HA PHE 122 13.152 -11.478 -14.313 942 1HB PHE 122 HB2 PHE 122 11.514 -10.252 -12.072 943 2HB PHE 122 HB1 PHE 122 11.058 -11.696 -12.977 944 HD1 PHE 122 HD1 PHE 122 12.622 -13.706 -12.947 945 HD2 PHE 122 HD2 PHE 122 13.051 -10.375 -10.269 946 HE1 PHE 122 HE1 PHE 122 14.029 -15.092 -11.448 947 HE2 PHE 122 HE2 PHE 122 14.457 -11.761 -8.770 948 HZ PHE 122 HZ PHE 122 14.946 -14.120 -9.359 949 H GLU 123 HN GLU 123 12.240 -11.101 -16.263 950 HA GLU 123 HA GLU 123 10.899 -8.529 -16.796 951 1HB GLU 123 HB2 GLU 123 12.524 -9.698 -18.399 952 2HB GLU 123 HB1 GLU 123 11.220 -10.844 -18.717 953 1HG GLU 123 HG2 GLU 123 9.742 -8.906 -19.315 954 2HG GLU 123 HG1 GLU 123 11.142 -7.846 -19.153 955 H GLY 124 HN GLY 124 8.703 -8.332 -17.344 956 1HA GLY 124 HA2 GLY 124 7.021 -10.783 -17.210 957 2HA GLY 124 HA1 GLY 124 6.648 -9.446 -16.122 958 H ASP 125 HN ASP 125 4.900 -8.382 -16.900 959 HA ASP 125 HA ASP 125 4.957 -7.466 -19.726 960 1HB ASP 125 HB2 ASP 125 3.571 -9.624 -19.432 961 2HB ASP 125 HB1 ASP 125 2.430 -8.616 -18.540 962 H THR 126 HN THR 126 3.654 -7.217 -16.463 963 HA THR 126 HA THR 126 2.582 -4.507 -17.110 964 HB THR 126 HB THR 126 2.148 -6.054 -14.548 965 HG1 THR 126 HG1 THR 126 1.424 -7.285 -16.320 966 1HG2 THR 126 HG23 THR 126 1.649 -3.501 -14.938 967 2HG2 THR 126 HG22 THR 126 0.254 -4.110 -15.827 968 3HG2 THR 126 HG21 THR 126 0.457 -4.510 -14.122 969 H LYS 127 HN LYS 127 3.492 -2.707 -16.170 970 HA LYS 127 HA LYS 127 5.808 -3.179 -14.336 971 1HB LYS 127 HB2 LYS 127 5.285 -0.892 -16.262 972 2HB LYS 127 HB1 LYS 127 6.674 -1.008 -15.180 973 1HG LYS 127 HG2 LYS 127 7.200 -3.240 -16.274 974 2HG LYS 127 HG1 LYS 127 5.974 -2.846 -17.479 975 1HD LYS 127 HD2 LYS 127 8.193 -0.908 -16.845 976 2HD LYS 127 HD1 LYS 127 8.436 -2.216 -18.003 977 1HE LYS 127 HE2 LYS 127 6.142 -0.247 -18.172 978 2HE LYS 127 HE1 LYS 127 7.665 -0.042 -19.037 979 1HZ LYS 127 HZ1 LYS 127 6.229 -2.591 -19.268 980 2HZ LYS 127 HZ3 LYS 127 5.666 -1.256 -20.151 981 3HZ LYS 127 HZ2 LYS 127 7.251 -1.822 -20.385 982 H MET 128 HN MET 128 6.216 -1.052 -12.982 983 HA MET 128 HA MET 128 3.674 -0.487 -11.574 984 1HB MET 128 HB2 MET 128 5.810 -1.159 -10.364 985 2HB MET 128 HB1 MET 128 6.459 0.420 -10.806 986 1HG MET 128 HG2 MET 128 5.513 0.629 -8.599 987 2HG MET 128 HG1 MET 128 4.429 1.459 -9.713 988 1HE MET 128 HE1 MET 128 2.696 1.659 -8.531 989 2HE MET 128 HE3 MET 128 1.408 0.474 -8.273 990 3HE MET 128 HE2 MET 128 2.654 0.706 -7.050 991 H ILE 129 HN ILE 129 2.994 1.695 -11.134 992 HA ILE 129 HA ILE 129 3.403 3.523 -13.347 993 HB ILE 129 HB ILE 129 1.979 5.066 -11.971 994 1HG1 ILE 129 HG12 ILE 129 1.864 2.760 -10.010 995 2HG1 ILE 129 HG11 ILE 129 2.908 4.161 -9.775 996 1HG2 ILE 129 HG21 ILE 129 1.190 3.001 -13.422 997 2HG2 ILE 129 HG23 ILE 129 0.707 2.352 -11.855 998 3HG2 ILE 129 HG22 ILE 129 0.032 3.878 -12.423 999 1HD1 ILE 129 HD11 ILE 129 -0.042 4.487 -10.312 1000 2HD1 ILE 129 HD13 ILE 129 0.565 4.220 -8.678 1001 3HD1 ILE 129 HD12 ILE 129 1.077 5.643 -9.587 1002 HA PRO 130 HA PRO 130 6.694 6.032 -11.714 1003 1HB PRO 130 HB2 PRO 130 5.859 8.526 -12.682 1004 2HB PRO 130 HB1 PRO 130 6.799 7.324 -13.578 1005 1HG PRO 130 HG2 PRO 130 4.102 8.165 -14.041 1006 2HG PRO 130 HG1 PRO 130 5.054 6.981 -14.948 1007 1HD PRO 130 HD2 PRO 130 2.944 6.522 -12.980 1008 2HD PRO 130 HD1 PRO 130 3.672 5.386 -14.125 1009 H LEU 131 HN LEU 131 6.439 6.099 -9.458 1010 HA LEU 131 HA LEU 131 4.428 7.881 -8.252 1011 1HB LEU 131 HB2 LEU 131 6.573 6.112 -7.038 1012 2HB LEU 131 HB1 LEU 131 5.415 7.054 -6.099 1013 HG LEU 131 HG LEU 131 4.528 5.092 -8.219 1014 1HD1 LEU 131 HD11 LEU 131 5.967 4.057 -6.353 1015 2HD1 LEU 131 HD13 LEU 131 4.658 4.503 -5.258 1016 3HD1 LEU 131 HD12 LEU 131 4.356 3.378 -6.581 1017 1HD2 LEU 131 HD22 LEU 131 2.937 6.839 -7.394 1018 2HD2 LEU 131 HD21 LEU 131 2.417 5.201 -6.994 1019 3HD2 LEU 131 HD23 LEU 131 3.156 6.219 -5.757 1020 H ASN 132 HN ASN 132 4.942 9.759 -7.058 1021 HA ASN 132 HA ASN 132 7.421 11.103 -7.891 1022 1HB ASN 132 HB2 ASN 132 5.037 12.145 -7.658 1023 2HB ASN 132 HB1 ASN 132 5.426 12.238 -5.940 1024 1HD2 ASN 132 HD22 ASN 132 6.801 15.126 -8.259 1025 2HD2 ASN 132 HD21 ASN 132 5.451 14.153 -8.594 1026 H TRP 133 HN TRP 133 8.950 9.758 -6.721 1027 HA TRP 133 HA TRP 133 8.838 9.401 -3.866 1028 1HB TRP 133 HB2 TRP 133 11.192 9.313 -5.778 1029 2HB TRP 133 HB1 TRP 133 11.242 8.775 -4.099 1030 HD1 TRP 133 HD1 TRP 133 10.075 7.759 -7.534 1031 HE1 TRP 133 HE1 TRP 133 9.107 5.371 -7.442 1032 HE3 TRP 133 HE3 TRP 133 9.935 7.058 -2.478 1033 HZ2 TRP 133 HZ2 TRP 133 8.372 3.421 -5.482 1034 HZ3 TRP 133 HZ3 TRP 133 9.097 4.929 -1.526 1035 HH2 TRP 133 HH2 TRP 133 8.316 3.111 -3.021 1036 H ASP 134 HN ASP 134 9.743 12.064 -5.867 1037 HA ASP 134 HA ASP 134 11.616 13.379 -4.153 1038 1HB ASP 134 HB2 ASP 134 10.895 13.940 -6.597 1039 2HB ASP 134 HB1 ASP 134 9.612 14.878 -5.831 1040 H ASP 135 HN ASP 135 8.154 13.021 -4.003 1041 HA ASP 135 HA ASP 135 7.942 15.115 -1.906 1042 1HB ASP 135 HB2 ASP 135 6.248 14.800 -3.845 1043 2HB ASP 135 HB1 ASP 135 5.672 13.409 -2.925 1044 H PHE 136 HN PHE 136 9.360 12.528 -1.500 1045 HA PHE 136 HA PHE 136 7.868 11.688 0.927 1046 1HB PHE 136 HB2 PHE 136 8.713 9.901 -1.350 1047 2HB PHE 136 HB1 PHE 136 8.558 9.266 0.288 1048 HD1 PHE 136 HD2 PHE 136 6.335 9.704 1.532 1049 HD2 PHE 136 HD1 PHE 136 6.809 10.159 -2.713 1050 HE1 PHE 136 HE2 PHE 136 3.877 9.549 1.240 1051 HE2 PHE 136 HE1 PHE 136 4.351 10.005 -3.004 1052 HZ PHE 136 HZ PHE 136 2.885 9.700 -1.027 1053 H THR 137 HN THR 137 9.386 10.075 2.193 1054 HA THR 137 HA THR 137 12.257 10.638 1.771 1055 HB THR 137 HB THR 137 11.013 11.226 4.462 1056 HG1 THR 137 HG1 THR 137 10.242 12.606 2.692 1057 1HG2 THR 137 HG23 THR 137 13.510 10.730 4.117 1058 2HG2 THR 137 HG22 THR 137 13.576 12.265 3.250 1059 3HG2 THR 137 HG21 THR 137 13.108 12.232 4.950 1060 H LYS 138 HN LYS 138 13.573 9.036 2.683 1061 HA LYS 138 HA LYS 138 12.186 6.575 3.497 1062 1HB LYS 138 HB2 LYS 138 14.223 6.697 1.938 1063 2HB LYS 138 HB1 LYS 138 15.176 7.011 3.389 1064 1HG LYS 138 HG2 LYS 138 14.676 4.901 4.321 1065 2HG LYS 138 HG1 LYS 138 13.300 4.654 3.245 1066 1HD LYS 138 HD2 LYS 138 14.973 3.283 2.311 1067 2HD LYS 138 HD1 LYS 138 15.050 4.748 1.332 1068 1HE LYS 138 HE2 LYS 138 17.312 4.113 1.964 1069 2HE LYS 138 HE1 LYS 138 16.876 5.589 2.824 1070 1HZ LYS 138 HZ3 LYS 138 16.015 3.582 4.455 1071 2HZ LYS 138 HZ2 LYS 138 17.495 2.998 3.861 1072 3HZ LYS 138 HZ1 LYS 138 17.429 4.495 4.661 1073 H VAL 139 HN VAL 139 11.628 6.332 5.600 1074 HA VAL 139 HA VAL 139 13.199 7.721 7.699 1075 HB VAL 139 HB VAL 139 11.324 6.980 9.194 1076 1HG1 VAL 139 HG11 VAL 139 10.600 8.473 6.655 1077 2HG1 VAL 139 HG13 VAL 139 9.596 8.441 8.106 1078 3HG1 VAL 139 HG12 VAL 139 11.199 9.174 8.159 1079 1HG2 VAL 139 HG23 VAL 139 10.235 5.903 6.572 1080 2HG2 VAL 139 HG22 VAL 139 10.670 4.953 7.993 1081 3HG2 VAL 139 HG21 VAL 139 9.296 6.057 8.057 1082 H SER 140 HN SER 140 12.335 4.484 6.591 1083 HA SER 140 HA SER 140 14.586 3.366 8.117 1084 1HB SER 140 HB2 SER 140 12.780 3.269 9.777 1085 2HB SER 140 HB1 SER 140 11.730 2.466 8.614 1086 HG SER 140 HG SER 140 12.727 0.947 9.962 1087 H SER 141 HN SER 141 14.703 0.906 7.625 1088 HA SER 141 HA SER 141 13.319 -0.044 5.247 1089 1HB SER 141 HB2 SER 141 15.063 1.582 4.348 1090 2HB SER 141 HB1 SER 141 16.289 0.478 4.968 1091 HG SER 141 HG SER 141 15.993 -0.527 3.148 1092 H ARG 142 HN ARG 142 13.229 -2.227 5.454 1093 HA ARG 142 HA ARG 142 15.124 -3.537 7.335 1094 1HB ARG 142 HB2 ARG 142 12.547 -3.762 7.479 1095 2HB ARG 142 HB1 ARG 142 12.702 -4.831 6.085 1096 1HG ARG 142 HG2 ARG 142 12.846 -6.325 7.889 1097 2HG ARG 142 HG1 ARG 142 14.541 -6.018 7.506 1098 1HD ARG 142 HD2 ARG 142 14.729 -4.412 9.297 1099 2HD ARG 142 HD1 ARG 142 12.991 -4.461 9.591 1100 HE ARG 142 HE ARG 142 13.314 -6.432 10.839 1101 1HH1 ARG 142 HH21 ARG 142 16.062 -5.792 8.811 1102 2HH1 ARG 142 HH22 ARG 142 17.010 -7.073 9.488 1103 1HH2 ARG 142 HH11 ARG 142 14.554 -8.092 11.710 1104 2HH2 ARG 142 HH12 ARG 142 16.160 -8.369 11.122 1105 H THR 143 HN THR 143 16.903 -4.354 6.341 1106 HA THR 143 HA THR 143 16.736 -5.274 3.533 1107 HB THR 143 HB THR 143 19.200 -5.386 5.268 1108 HG1 THR 143 HG1 THR 143 19.579 -3.234 4.556 1109 1HG2 THR 143 HG21 THR 143 18.983 -6.336 2.867 1110 2HG2 THR 143 HG23 THR 143 18.962 -4.647 2.357 1111 3HG2 THR 143 HG22 THR 143 20.360 -5.291 3.219 1112 H VAL 144 HN VAL 144 17.112 -7.429 2.915 1113 HA VAL 144 HA VAL 144 17.630 -9.448 5.008 1114 HB VAL 144 HB VAL 144 15.176 -9.177 5.034 1115 1HG1 VAL 144 HG12 VAL 144 15.121 -8.396 2.592 1116 2HG1 VAL 144 HG11 VAL 144 15.173 -10.105 2.158 1117 3HG1 VAL 144 HG13 VAL 144 13.822 -9.476 3.101 1118 1HG2 VAL 144 HG21 VAL 144 16.218 -11.438 5.347 1119 2HG2 VAL 144 HG23 VAL 144 14.585 -11.512 4.685 1120 3HG2 VAL 144 HG22 VAL 144 15.976 -11.743 3.626 1121 H GLU 145 HN GLU 145 19.049 -10.888 4.168 1122 HA GLU 145 HA GLU 145 19.280 -11.069 1.198 1123 1HB GLU 145 HB2 GLU 145 21.225 -11.704 3.433 1124 2HB GLU 145 HB1 GLU 145 21.531 -12.103 1.742 1125 1HG GLU 145 HG2 GLU 145 21.671 -9.859 1.098 1126 2HG GLU 145 HG1 GLU 145 20.751 -9.300 2.496 1127 H ASP 146 HN ASP 146 18.443 -12.868 0.280 1128 HA ASP 146 HA ASP 146 17.625 -15.144 1.930 1129 1HB ASP 146 HB2 ASP 146 16.464 -14.144 -0.206 1130 2HB ASP 146 HB1 ASP 146 17.607 -15.168 -1.077 1131 H THR 147 HN THR 147 18.131 -17.309 0.245 1132 HA THR 147 HA THR 147 20.894 -17.895 0.905 1133 HB THR 147 HB THR 147 20.370 -20.011 -0.479 1134 HG1 THR 147 HG1 THR 147 17.807 -18.805 -0.337 1135 1HG2 THR 147 HG22 THR 147 18.653 -19.243 1.896 1136 2HG2 THR 147 HG21 THR 147 18.892 -20.892 1.319 1137 3HG2 THR 147 HG23 THR 147 20.256 -19.975 1.960 1138 H ASN 148 HN ASN 148 19.138 -17.195 -2.110 1139 HA ASN 148 HA ASN 148 21.736 -17.200 -3.566 1140 1HB ASN 148 HB2 ASN 148 19.693 -18.503 -4.417 1141 2HB ASN 148 HB1 ASN 148 18.988 -16.932 -4.797 1142 1HD2 ASN 148 HD22 ASN 148 21.918 -18.453 -7.168 1143 2HD2 ASN 148 HD21 ASN 148 21.381 -19.289 -5.790 1144 HA PRO 149 HA PRO 149 22.090 -12.758 -3.457 1145 1HB PRO 149 HB2 PRO 149 22.926 -12.686 -6.239 1146 2HB PRO 149 HB1 PRO 149 23.886 -12.396 -4.782 1147 1HG PRO 149 HG2 PRO 149 23.858 -14.716 -6.469 1148 2HG PRO 149 HG1 PRO 149 24.872 -14.391 -5.057 1149 1HD PRO 149 HD2 PRO 149 22.820 -16.296 -5.217 1150 2HD PRO 149 HD1 PRO 149 23.618 -15.736 -3.740 1151 H ALA 150 HN ALA 150 20.684 -14.215 -6.399 1152 HA ALA 150 HA ALA 150 19.262 -11.898 -7.274 1153 1HB ALA 150 HB3 ALA 150 19.640 -13.933 -8.668 1154 2HB ALA 150 HB2 ALA 150 18.491 -14.808 -7.656 1155 3HB ALA 150 HB1 ALA 150 17.946 -13.445 -8.633 1156 H LEU 151 HN LEU 151 18.520 -14.353 -4.868 1157 HA LEU 151 HA LEU 151 15.738 -13.480 -4.562 1158 1HB LEU 151 HB2 LEU 151 17.514 -15.417 -3.073 1159 2HB LEU 151 HB1 LEU 151 15.902 -15.003 -2.491 1160 HG LEU 151 HG LEU 151 16.461 -16.026 -5.287 1161 1HD1 LEU 151 HD11 LEU 151 17.016 -17.704 -3.510 1162 2HD1 LEU 151 HD13 LEU 151 15.369 -17.546 -2.900 1163 3HD1 LEU 151 HD12 LEU 151 15.653 -18.188 -4.517 1164 1HD2 LEU 151 HD21 LEU 151 13.972 -15.481 -3.656 1165 2HD2 LEU 151 HD23 LEU 151 14.403 -14.822 -5.235 1166 3HD2 LEU 151 HD22 LEU 151 13.948 -16.521 -5.081 1167 H THR 152 HN THR 152 18.201 -11.671 -4.067 1168 HA THR 152 HA THR 152 17.835 -10.994 -1.211 1169 HB THR 152 HB THR 152 19.579 -9.650 -3.300 1170 HG1 THR 152 HG1 THR 152 19.907 -11.986 -2.700 1171 1HG2 THR 152 HG21 THR 152 18.898 -8.520 -1.033 1172 2HG2 THR 152 HG23 THR 152 20.039 -9.668 -0.332 1173 3HG2 THR 152 HG22 THR 152 20.589 -8.503 -1.536 1174 H HIS 153 HN HIS 153 16.615 -9.277 -0.521 1175 HA HIS 153 HA HIS 153 15.814 -7.169 -2.430 1176 1HB HIS 153 HB2 HIS 153 13.395 -7.461 -1.823 1177 2HB HIS 153 HB1 HIS 153 14.047 -8.801 -2.764 1178 HD1 HIS 153 HD1 HIS 153 14.810 -10.957 -1.309 1179 HD2 HIS 153 HD2 HIS 153 12.360 -8.210 0.648 1180 HE1 HIS 153 HE1 HIS 153 13.881 -12.147 0.724 1181 H THR 154 HN THR 154 14.550 -5.427 -1.235 1182 HA THR 154 HA THR 154 15.155 -5.386 1.683 1183 HB THR 154 HB THR 154 15.690 -3.029 -0.141 1184 HG1 THR 154 HG1 THR 154 17.041 -5.159 -0.188 1185 1HG2 THR 154 HG23 THR 154 15.243 -2.937 2.467 1186 2HG2 THR 154 HG22 THR 154 16.916 -3.489 2.551 1187 3HG2 THR 154 HG21 THR 154 16.529 -1.971 1.742 1188 H TYR 155 HN TYR 155 13.522 -4.467 2.880 1189 HA TYR 155 HA TYR 155 11.091 -3.636 1.423 1190 1HB TYR 155 HB2 TYR 155 11.648 -4.095 4.369 1191 2HB TYR 155 HB1 TYR 155 10.076 -3.627 3.719 1192 HD1 TYR 155 HD2 TYR 155 8.863 -5.145 2.150 1193 HD2 TYR 155 HD1 TYR 155 12.473 -6.340 4.148 1194 HE1 TYR 155 HE2 TYR 155 8.370 -7.516 1.620 1195 HE2 TYR 155 HE1 TYR 155 11.980 -8.712 3.618 1196 HH TYR 155 HH TYR 155 10.691 -10.082 2.352 1197 H GLU 156 HN GLU 156 11.543 -1.550 0.660 1198 HA GLU 156 HA GLU 156 12.712 0.495 2.376 1199 1HB GLU 156 HB2 GLU 156 11.416 0.533 -0.354 1200 2HB GLU 156 HB1 GLU 156 11.937 2.014 0.449 1201 1HG GLU 156 HG2 GLU 156 14.226 1.120 0.630 1202 2HG GLU 156 HG1 GLU 156 13.711 -0.370 -0.158 1203 H VAL 157 HN VAL 157 11.631 1.978 3.628 1204 HA VAL 157 HA VAL 157 8.642 1.993 3.470 1205 HB VAL 157 HB VAL 157 10.298 2.239 5.999 1206 1HG1 VAL 157 HG11 VAL 157 7.340 2.138 5.388 1207 2HG1 VAL 157 HG13 VAL 157 7.973 1.755 6.988 1208 3HG1 VAL 157 HG12 VAL 157 8.224 3.360 6.304 1209 1HG2 VAL 157 HG22 VAL 157 9.042 -0.098 4.604 1210 2HG2 VAL 157 HG21 VAL 157 10.553 -0.018 5.511 1211 3HG2 VAL 157 HG23 VAL 157 9.012 -0.055 6.366 1212 H TRP 158 HN TRP 158 8.469 3.942 2.353 1213 HA TRP 158 HA TRP 158 9.927 6.309 3.400 1214 1HB TRP 158 HB2 TRP 158 8.188 5.959 0.938 1215 2HB TRP 158 HB1 TRP 158 9.050 7.436 1.366 1216 HD1 TRP 158 HD1 TRP 158 9.966 3.690 0.954 1217 HE1 TRP 158 HE1 TRP 158 12.248 3.557 -0.239 1218 HE3 TRP 158 HE3 TRP 158 10.984 8.667 0.439 1219 HZ2 TRP 158 HZ2 TRP 158 14.241 5.327 -1.273 1220 HZ3 TRP 158 HZ3 TRP 158 13.079 9.415 -0.652 1221 HH2 TRP 158 HH2 TRP 158 14.708 7.754 -1.508 1222 H GLN 159 HN GLN 159 8.641 8.340 3.692 1223 HA GLN 159 HA GLN 159 5.777 7.900 4.348 1224 1HB GLN 159 HB2 GLN 159 7.922 8.801 6.275 1225 2HB GLN 159 HB1 GLN 159 6.225 9.212 6.523 1226 1HG GLN 159 HG2 GLN 159 7.074 6.365 6.013 1227 2HG GLN 159 HG1 GLN 159 7.114 7.049 7.638 1228 1HE2 GLN 159 HE22 GLN 159 3.633 6.774 8.083 1229 2HE2 GLN 159 HE21 GLN 159 5.148 7.094 8.776 1230 H LYS 160 HN LYS 160 4.535 9.787 4.139 1231 HA LYS 160 HA LYS 160 5.597 11.869 2.458 1232 1HB LYS 160 HB2 LYS 160 3.157 11.089 2.654 1233 2HB LYS 160 HB1 LYS 160 3.075 12.079 4.113 1234 1HG LYS 160 HG2 LYS 160 3.500 14.081 2.913 1235 2HG LYS 160 HG1 LYS 160 4.065 13.203 1.491 1236 1HD LYS 160 HD2 LYS 160 1.734 12.237 1.281 1237 2HD LYS 160 HD1 LYS 160 1.228 13.368 2.538 1238 1HE LYS 160 HE2 LYS 160 2.094 15.245 1.125 1239 2HE LYS 160 HE1 LYS 160 2.434 14.077 -0.152 1240 1HZ LYS 160 HZ3 LYS 160 -0.110 13.496 0.470 1241 2HZ LYS 160 HZ2 LYS 160 -0.090 15.177 0.719 1242 3HZ LYS 160 HZ1 LYS 160 0.353 14.533 -0.790 1243 H LYS 161 HN LYS 161 7.196 13.140 3.331 1244 HA LYS 161 HA LYS 161 6.481 14.727 5.744 1245 1HB LYS 161 HB2 LYS 161 7.978 12.743 6.343 1246 2HB LYS 161 HB1 LYS 161 9.233 13.524 5.378 1247 1HG LYS 161 HG2 LYS 161 8.829 15.612 6.798 1248 2HG LYS 161 HG1 LYS 161 7.884 14.578 7.871 1249 1HD LYS 161 HD2 LYS 161 9.810 13.134 8.249 1250 2HD LYS 161 HD1 LYS 161 10.763 14.049 7.080 1251 1HE LYS 161 HE2 LYS 161 10.837 15.966 8.468 1252 2HE LYS 161 HE1 LYS 161 9.518 15.383 9.485 1253 1HZ LYS 161 HZ3 LYS 161 10.976 13.550 10.188 1254 2HZ LYS 161 HZ2 LYS 161 12.249 14.231 9.292 1255 3HZ LYS 161 HZ1 LYS 161 11.593 15.071 10.615 1256 H ALA 162 HN ALA 162 6.559 16.801 5.049 1257 HA ALA 162 HA ALA 162 8.952 17.756 3.611 1258 1HB ALA 162 HB3 ALA 162 7.336 17.033 1.833 1259 2HB ALA 162 HB2 ALA 162 6.173 18.192 2.477 1260 3HB ALA 162 HB1 ALA 162 7.694 18.760 1.787 1261 1H9 TMQ 170 H91 TMQ 170 -0.194 -9.995 -6.627 1262 2H9 TMQ 170 H92 TMQ 170 -1.144 -10.743 -5.336 1263 HN1 TMQ 170 H1N TMQ 170 0.533 -12.082 -7.194 1264 1H17 TMQ 170 HM1 TMQ 170 -0.577 -7.176 -4.672 1265 2H17 TMQ 170 HM2 TMQ 170 -1.385 -8.120 -3.413 1266 3H17 TMQ 170 HM3 TMQ 170 -1.341 -8.713 -5.074 1267 1H21 TMQ 170 HW11 TMQ 170 -2.366 -12.450 -2.273 1268 2H21 TMQ 170 HW12 TMQ 170 -0.709 -12.491 -1.651 1269 3H21 TMQ 170 HW13 TMQ 170 -2.043 -13.106 -0.661 1270 1H22 TMQ 170 HI1 TMQ 170 1.889 -16.691 -2.921 1271 2H22 TMQ 170 HI2 TMQ 170 0.978 -17.591 -1.700 1272 3H22 TMQ 170 HI3 TMQ 170 1.043 -15.823 -1.632 1273 1H23 TMQ 170 HW21 TMQ 170 2.084 -16.094 -7.276 1274 2H23 TMQ 170 HW22 TMQ 170 2.969 -17.422 -6.510 1275 3H23 TMQ 170 HW23 TMQ 170 3.139 -15.771 -5.891 1276 1HN2 TMQ 170 HN21 TMQ 170 5.257 -7.821 -0.175 1277 2HN2 TMQ 170 HN22 TMQ 170 4.316 -6.435 0.263 1278 1HN5 TMQ 170 HN41 TMQ 170 0.326 -5.531 -1.615 1279 2HN5 TMQ 170 HN42 TMQ 170 -0.434 -6.481 -2.816 1280 HN TMQ 170 H1 TMQ 170 4.479 -9.271 -1.765 1281 H7 TMQ 170 H7 TMQ 170 2.224 -11.723 -5.049 1282 H8 TMQ 170 H8 TMQ 170 3.863 -10.929 -3.405 1283 H12 TMQ 170 HP2 TMQ 170 -1.150 -12.197 -3.968 1284 H16 TMQ 170 HP6 TMQ 170 1.353 -14.303 -6.792 No H/Q in entry = 1284
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