NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
517504 | 2lc2 | 17588 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.722 -76.975 16.655 2 HA2 GLY 1 1HA GLY 1 4.842 -77.620 14.658 3 HA3 GLY 1 2HA GLY 1 3.348 -77.360 13.770 4 H SER 2 H SER 2 6.218 -75.898 15.051 5 HA SER 2 HA SER 2 5.585 -73.452 13.540 6 HB2 SER 2 1HB SER 2 6.626 -72.087 15.236 7 HB3 SER 2 2HB SER 2 5.413 -73.100 16.019 8 HG SER 2 HG SER 2 8.199 -73.643 15.916 9 H SER 3 H SER 3 7.339 -72.400 12.550 10 HA SER 3 HA SER 3 9.862 -73.913 12.492 11 HB2 SER 3 1HB SER 3 8.354 -74.338 10.476 12 HB3 SER 3 2HB SER 3 8.646 -72.656 10.030 13 HG SER 3 HG SER 3 10.711 -74.543 10.493 14 H GLY 4 H GLY 4 11.643 -72.594 11.419 15 HA2 GLY 4 1HA GLY 4 12.019 -70.097 10.843 16 HA3 GLY 4 2HA GLY 4 11.494 -69.865 12.504 17 H SER 5 H SER 5 14.020 -71.139 10.440 18 HA SER 5 HA SER 5 15.749 -71.588 12.759 19 HB2 SER 5 1HB SER 5 15.524 -73.278 10.851 20 HB3 SER 5 2HB SER 5 16.451 -72.138 9.876 21 HG SER 5 HG SER 5 18.170 -72.369 11.264 22 H SER 6 H SER 6 15.791 -69.868 9.643 23 HA SER 6 HA SER 6 18.131 -68.593 9.590 24 HB2 SER 6 1HB SER 6 16.218 -68.176 8.029 25 HB3 SER 6 2HB SER 6 15.522 -67.099 9.239 26 HG SER 6 HG SER 6 17.841 -66.777 7.687 27 H GLY 7 H GLY 7 19.120 -66.760 10.473 28 HA2 GLY 7 1HA GLY 7 17.831 -65.437 12.731 29 HA3 GLY 7 2HA GLY 7 19.283 -66.360 13.090 30 H ASN 8 H ASN 8 20.371 -64.483 13.772 31 HA ASN 8 HA ASN 8 21.671 -63.066 11.625 32 HB2 ASN 8 1HB ASN 8 19.878 -61.617 13.578 33 HB3 ASN 8 2HB ASN 8 21.122 -60.809 12.630 34 HD21 ASN 8 1HD2 ASN 8 17.999 -62.233 12.621 35 HD22 ASN 8 2HD2 ASN 8 17.581 -61.836 10.992 36 H VAL 9 H VAL 9 23.214 -61.345 12.652 37 HA VAL 9 HA VAL 9 24.067 -61.650 15.321 38 HB VAL 9 HB VAL 9 24.759 -63.885 14.530 39 HG11 VAL 9 1HG1 VAL 9 25.413 -63.969 12.385 40 HG12 VAL 9 2HG1 VAL 9 25.931 -62.282 12.374 41 HG13 VAL 9 3HG1 VAL 9 26.997 -63.528 13.023 42 HG21 VAL 9 3HG2 VAL 9 26.670 -63.871 15.760 43 HG22 VAL 9 1HG2 VAL 9 27.334 -62.474 14.914 44 HG23 VAL 9 2HG2 VAL 9 26.101 -62.249 16.154 45 H ASP 10 H ASP 10 25.814 -60.294 15.846 46 HA ASP 10 HA ASP 10 27.216 -58.872 13.757 47 HB2 ASP 10 1HB ASP 10 26.465 -56.630 14.807 48 HB3 ASP 10 2HB ASP 10 25.367 -57.441 13.693 49 H SER 11 H SER 11 29.182 -58.227 14.426 50 HA SER 11 HA SER 11 29.890 -58.758 17.203 51 HB2 SER 11 1HB SER 11 31.474 -58.343 14.679 52 HB3 SER 11 2HB SER 11 32.254 -58.267 16.258 53 HG SER 11 HG SER 11 31.376 -60.432 14.851 54 H ASN 12 H ASN 12 30.490 -56.156 14.835 55 HA ASN 12 HA ASN 12 31.555 -54.270 16.536 56 HB2 ASN 12 1HB ASN 12 30.689 -52.569 14.928 57 HB3 ASN 12 2HB ASN 12 31.520 -53.911 14.147 58 HD21 ASN 12 1HD2 ASN 12 30.104 -52.653 12.453 59 HD22 ASN 12 2HD2 ASN 12 28.581 -53.396 12.120 60 H GLN 13 H GLN 13 30.813 -53.049 18.152 61 HA GLN 13 HA GLN 13 27.896 -52.867 18.528 62 HB2 GLN 13 1HB GLN 13 30.084 -53.419 20.500 63 HB3 GLN 13 2HB GLN 13 28.602 -52.637 21.033 64 HG2 GLN 13 1HG GLN 13 27.416 -54.614 19.873 65 HG3 GLN 13 2HG GLN 13 28.995 -55.394 19.951 66 HE21 GLN 13 1HE2 GLN 13 26.233 -54.341 21.715 67 HE22 GLN 13 2HE2 GLN 13 26.674 -55.026 23.238 68 H ASN 14 H ASN 14 30.873 -51.342 19.776 69 HA ASN 14 HA ASN 14 30.264 -48.785 18.736 70 HB2 ASN 14 1HB ASN 14 28.573 -49.176 20.702 71 HB3 ASN 14 2HB ASN 14 29.966 -48.816 21.718 72 HD21 ASN 14 1HD2 ASN 14 27.543 -47.561 19.666 73 HD22 ASN 14 2HD2 ASN 14 27.981 -45.894 19.790 74 H LYS 15 H LYS 15 31.627 -47.053 20.039 75 HA LYS 15 HA LYS 15 34.007 -48.135 21.272 76 HB2 LYS 15 1HB LYS 15 35.571 -47.238 19.648 77 HB3 LYS 15 2HB LYS 15 34.486 -48.375 18.859 78 HG2 LYS 15 1HG LYS 15 33.139 -46.435 18.069 79 HG3 LYS 15 2HG LYS 15 34.384 -45.371 18.727 80 HD2 LYS 15 1HD LYS 15 35.061 -47.556 16.784 81 HD3 LYS 15 2HD LYS 15 34.499 -45.976 16.231 82 HE2 LYS 15 1HE LYS 15 36.745 -45.590 16.233 83 HE3 LYS 15 2HE LYS 15 36.379 -45.137 17.897 84 HZ1 LYS 15 3HZ LYS 15 37.439 -46.936 18.716 85 HZ2 LYS 15 1HZ LYS 15 38.295 -46.840 17.259 86 HZ3 LYS 15 2HZ LYS 15 37.018 -47.937 17.419 87 H ALA 16 H ALA 16 35.536 -46.363 21.900 88 HA ALA 16 HA ALA 16 34.286 -43.727 22.090 89 HB1 ALA 16 1HB ALA 16 33.651 -44.061 24.195 90 HB2 ALA 16 2HB ALA 16 34.510 -45.599 24.282 91 HB3 ALA 16 3HB ALA 16 35.361 -44.093 24.623 92 H SER 17 H SER 17 35.722 -42.033 22.252 93 HA SER 17 HA SER 17 38.475 -42.674 21.588 94 HB2 SER 17 1HB SER 17 37.083 -39.991 21.778 95 HB3 SER 17 2HB SER 17 38.701 -40.268 21.134 96 HG SER 17 HG SER 17 36.556 -41.711 20.058 97 H MET 18 H MET 18 39.015 -43.556 23.688 98 HA MET 18 HA MET 18 39.063 -41.757 25.954 99 HB2 MET 18 1HB MET 18 38.759 -44.387 25.876 100 HB3 MET 18 2HB MET 18 40.515 -44.365 25.957 101 HG2 MET 18 1HG MET 18 40.517 -43.320 28.054 102 HG3 MET 18 2HG MET 18 38.823 -42.855 27.915 103 HE1 MET 18 3HE MET 18 39.921 -44.404 30.654 104 HE2 MET 18 1HE MET 18 40.250 -46.114 30.372 105 HE3 MET 18 2HE MET 18 41.211 -44.884 29.550 106 H LEU 19 H LEU 19 40.578 -40.951 23.635 107 HA LEU 19 HA LEU 19 43.360 -41.294 24.462 108 HB2 LEU 19 1HB LEU 19 43.936 -40.252 22.353 109 HB3 LEU 19 2HB LEU 19 42.821 -41.593 22.101 110 HG LEU 19 HG LEU 19 41.033 -39.639 22.133 111 HD11 LEU 19 1HD1 LEU 19 41.870 -37.615 21.117 112 HD12 LEU 19 2HD1 LEU 19 43.511 -38.259 21.112 113 HD13 LEU 19 3HD1 LEU 19 42.709 -37.905 22.642 114 HD21 LEU 19 3HD2 LEU 19 42.622 -40.936 20.052 115 HD22 LEU 19 1HD2 LEU 19 41.898 -39.408 19.549 116 HD23 LEU 19 2HD2 LEU 19 40.877 -40.704 20.172 117 H GLN 20 H GLN 20 40.799 -38.976 24.498 118 HA GLN 20 HA GLN 20 42.663 -36.871 25.358 119 HB2 GLN 20 1HB GLN 20 41.088 -36.439 23.419 120 HB3 GLN 20 2HB GLN 20 39.771 -36.509 24.582 121 HG2 GLN 20 1HG GLN 20 42.066 -34.649 25.017 122 HG3 GLN 20 2HG GLN 20 40.764 -34.221 23.909 123 HE21 GLN 20 1HE2 GLN 20 38.525 -34.931 25.020 124 HE22 GLN 20 2HE2 GLN 20 38.302 -34.228 26.582 125 H ALA 21 H ALA 21 42.306 -35.737 27.271 126 HA ALA 21 HA ALA 21 40.225 -36.786 29.060 127 HB1 ALA 21 1HB ALA 21 41.763 -37.843 30.269 128 HB2 ALA 21 2HB ALA 21 43.082 -37.108 29.357 129 HB3 ALA 21 3HB ALA 21 42.379 -36.255 30.731 130 H ARG 22 H ARG 22 39.165 -35.263 30.183 131 HA ARG 22 HA ARG 22 39.805 -32.495 29.696 132 HB2 ARG 22 1HB ARG 22 37.466 -33.408 29.718 133 HB3 ARG 22 2HB ARG 22 37.628 -33.631 31.455 134 HG2 ARG 22 1HG ARG 22 37.549 -31.382 31.892 135 HG3 ARG 22 2HG ARG 22 38.151 -30.941 30.293 136 HD2 ARG 22 1HD ARG 22 35.923 -31.936 29.441 137 HD3 ARG 22 2HD ARG 22 35.391 -31.767 31.114 138 HE ARG 22 HE ARG 22 36.506 -29.338 30.247 139 HH11 ARG 22 2HH1 ARG 22 33.711 -31.349 29.735 140 HH12 ARG 22 1HH1 ARG 22 32.675 -30.027 29.313 141 HH21 ARG 22 2HH2 ARG 22 35.151 -27.588 29.692 142 HH22 ARG 22 1HH2 ARG 22 33.495 -27.888 29.288 143 H LEU 23 H LEU 23 41.640 -31.936 30.794 144 HA LEU 23 HA LEU 23 41.750 -32.446 33.676 145 HB2 LEU 23 1HB LEU 23 44.047 -32.076 33.578 146 HB3 LEU 23 2HB LEU 23 43.681 -32.952 32.093 147 HG LEU 23 HG LEU 23 43.785 -29.976 31.998 148 HD11 LEU 23 1HD1 LEU 23 46.218 -31.755 32.050 149 HD12 LEU 23 2HD1 LEU 23 45.781 -30.553 33.263 150 HD13 LEU 23 3HD1 LEU 23 46.202 -30.043 31.629 151 HD21 LEU 23 3HD2 LEU 23 43.629 -30.404 29.829 152 HD22 LEU 23 1HD2 LEU 23 43.599 -32.135 30.168 153 HD23 LEU 23 2HD2 LEU 23 45.137 -31.318 29.891 154 H ASN 24 H ASN 24 41.103 -29.969 31.410 155 HA ASN 24 HA ASN 24 40.965 -28.017 33.598 156 HB2 ASN 24 1HB ASN 24 41.930 -26.278 32.265 157 HB3 ASN 24 2HB ASN 24 43.027 -27.653 32.197 158 HD21 ASN 24 1HD2 ASN 24 43.776 -26.423 30.290 159 HD22 ASN 24 2HD2 ASN 24 43.005 -26.732 28.775 160 H ASP 25 H ASP 25 39.615 -26.090 32.975 161 HA ASP 25 HA ASP 25 37.257 -27.040 31.517 162 HB2 ASP 25 1HB ASP 25 37.515 -24.641 33.342 163 HB3 ASP 25 2HB ASP 25 36.022 -25.311 32.691 164 H GLU 26 H GLU 26 35.982 -25.086 30.507 165 HA GLU 26 HA GLU 26 37.747 -23.184 29.186 166 HB2 GLU 26 1HB GLU 26 37.607 -25.351 27.820 167 HB3 GLU 26 2HB GLU 26 35.934 -24.908 27.510 168 HG2 GLU 26 1HG GLU 26 37.617 -24.272 25.743 169 HG3 GLU 26 2HG GLU 26 36.547 -22.990 26.308 170 H ALA 27 H ALA 27 36.777 -21.275 28.818 171 HA ALA 27 HA ALA 27 34.007 -20.985 29.649 172 HB1 ALA 27 1HB ALA 27 36.003 -19.461 30.299 173 HB2 ALA 27 2HB ALA 27 35.716 -18.712 28.727 174 HB3 ALA 27 3HB ALA 27 34.436 -18.732 29.941 175 H GLY 28 H GLY 28 32.781 -19.189 28.322 176 HA2 GLY 28 1HA GLY 28 33.226 -19.305 25.468 177 HA3 GLY 28 2HA GLY 28 31.821 -20.211 26.010 178 H GLY 29 H GLY 29 30.585 -18.741 24.667 179 HA2 GLY 29 1HA GLY 29 29.306 -16.731 26.136 180 HA3 GLY 29 2HA GLY 29 30.497 -15.958 25.101 181 H THR 30 H THR 30 27.972 -15.236 24.691 182 HA THR 30 HA THR 30 27.351 -16.487 22.112 183 HB THR 30 HB THR 30 24.916 -16.314 22.598 184 HG1 THR 30 1HG THR 30 25.872 -15.744 25.222 185 HG21 THR 30 3HG2 THR 30 24.767 -18.378 23.679 186 HG22 THR 30 1HG2 THR 30 26.174 -18.058 24.692 187 HG23 THR 30 2HG2 THR 30 26.383 -18.405 22.975 188 H ARG 31 H ARG 31 27.804 -14.858 20.758 189 HA ARG 31 HA ARG 31 26.514 -12.262 21.272 190 HB2 ARG 31 1HB ARG 31 29.083 -12.374 21.557 191 HB3 ARG 31 2HB ARG 31 29.126 -12.496 19.804 192 HG2 ARG 31 1HG ARG 31 29.334 -10.248 20.024 193 HG3 ARG 31 2HG ARG 31 27.574 -10.363 19.979 194 HD2 ARG 31 1HD ARG 31 29.253 -10.262 22.483 195 HD3 ARG 31 2HD ARG 31 28.385 -8.895 21.786 196 HE ARG 31 HE ARG 31 27.277 -11.041 23.339 197 HH11 ARG 31 2HH1 ARG 31 26.608 -8.619 20.929 198 HH12 ARG 31 1HH1 ARG 31 24.914 -8.546 21.285 199 HH21 ARG 31 2HH2 ARG 31 25.048 -10.954 23.817 200 HH22 ARG 31 1HH2 ARG 31 24.028 -9.874 22.928 201 H LEU 32 H LEU 32 24.776 -12.677 19.930 202 HA LEU 32 HA LEU 32 25.428 -12.930 17.068 203 HB2 LEU 32 1HB LEU 32 22.940 -13.962 18.416 204 HB3 LEU 32 2HB LEU 32 23.399 -14.177 16.728 205 HG LEU 32 HG LEU 32 25.082 -15.292 18.948 206 HD11 LEU 32 1HD1 LEU 32 22.833 -16.131 19.325 207 HD12 LEU 32 2HD1 LEU 32 23.878 -17.408 18.703 208 HD13 LEU 32 3HD1 LEU 32 22.716 -16.621 17.635 209 HD21 LEU 32 3HD2 LEU 32 25.170 -15.262 16.091 210 HD22 LEU 32 1HD2 LEU 32 24.976 -16.923 16.654 211 HD23 LEU 32 2HD2 LEU 32 26.327 -15.948 17.234 212 H LEU 33 H LEU 33 25.181 -10.938 16.264 213 HA LEU 33 HA LEU 33 22.884 -9.331 17.133 214 HB2 LEU 33 1HB LEU 33 25.538 -8.681 15.930 215 HB3 LEU 33 2HB LEU 33 24.194 -7.559 15.726 216 HG LEU 33 HG LEU 33 25.030 -8.491 18.452 217 HD11 LEU 33 1HD1 LEU 33 26.272 -6.216 18.457 218 HD12 LEU 33 2HD1 LEU 33 26.323 -6.437 16.708 219 HD13 LEU 33 3HD1 LEU 33 27.064 -7.634 17.770 220 HD21 LEU 33 3HD2 LEU 33 23.348 -6.326 17.292 221 HD22 LEU 33 1HD2 LEU 33 24.187 -6.024 18.813 222 HD23 LEU 33 2HD2 LEU 33 23.050 -7.366 18.685 223 H ARG 34 H ARG 34 21.229 -10.171 15.908 224 HA ARG 34 HA ARG 34 21.061 -9.260 13.207 225 HB2 ARG 34 1HB ARG 34 22.382 -11.496 13.158 226 HB3 ARG 34 2HB ARG 34 20.822 -12.239 13.487 227 HG2 ARG 34 1HG ARG 34 20.017 -10.859 11.445 228 HG3 ARG 34 2HG ARG 34 21.737 -10.762 11.061 229 HD2 ARG 34 1HD ARG 34 21.922 -13.035 10.707 230 HD3 ARG 34 2HD ARG 34 20.522 -13.409 11.712 231 HE ARG 34 HE ARG 34 19.429 -12.057 9.655 232 HH11 ARG 34 2HH1 ARG 34 21.626 -14.752 9.808 233 HH12 ARG 34 1HH1 ARG 34 21.075 -15.454 8.323 234 HH21 ARG 34 2HH2 ARG 34 18.694 -12.971 7.698 235 HH22 ARG 34 1HH2 ARG 34 19.408 -14.440 7.123 236 H VAL 35 H VAL 35 19.097 -8.392 13.338 237 HA VAL 35 HA VAL 35 16.819 -10.089 13.865 238 HB VAL 35 HB VAL 35 17.346 -9.385 16.133 239 HG11 VAL 35 1HG1 VAL 35 17.318 -7.030 16.778 240 HG12 VAL 35 2HG1 VAL 35 18.592 -7.351 15.599 241 HG13 VAL 35 3HG1 VAL 35 17.096 -6.565 15.092 242 HG21 VAL 35 3HG2 VAL 35 15.018 -7.662 15.454 243 HG22 VAL 35 1HG2 VAL 35 14.932 -9.381 15.070 244 HG23 VAL 35 2HG2 VAL 35 15.201 -8.862 16.734 245 H HIS 36 H HIS 36 15.097 -9.476 12.688 246 HA HIS 36 HA HIS 36 14.507 -6.792 11.988 247 HB2 HIS 36 1HB HIS 36 16.500 -7.348 10.492 248 HB3 HIS 36 2HB HIS 36 15.430 -8.472 9.660 249 HD1 HIS 36 1HD HIS 36 13.066 -7.182 8.847 250 HD2 HIS 36 2HD HIS 36 16.518 -4.919 9.324 251 HE1 HIS 36 1HE HIS 36 12.682 -5.081 7.518 252 HE2 HIS 36 2HE HIS 36 14.818 -3.766 7.753 253 H HIS 37 H HIS 37 12.391 -6.654 11.571 254 HA HIS 37 HA HIS 37 10.995 -9.055 10.598 255 HB2 HIS 37 1HB HIS 37 10.743 -8.557 13.112 256 HB3 HIS 37 2HB HIS 37 9.767 -7.180 12.609 257 HD1 HIS 37 1HD HIS 37 9.796 -10.953 12.473 258 HD2 HIS 37 2HD HIS 37 7.178 -7.776 11.906 259 HE1 HIS 37 1HE HIS 37 7.519 -11.992 12.232 260 HE2 HIS 37 2HE HIS 37 5.964 -10.058 11.805 261 H GLU 38 H GLU 38 10.861 -5.537 11.020 262 HA GLU 38 HA GLU 38 9.768 -5.227 8.372 263 HB2 GLU 38 1HB GLU 38 7.826 -3.834 9.249 264 HB3 GLU 38 2HB GLU 38 7.678 -5.578 9.408 265 HG2 GLU 38 1HG GLU 38 8.375 -5.411 11.753 266 HG3 GLU 38 2HG GLU 38 8.475 -3.659 11.586 267 H SER 39 H SER 39 10.795 -3.554 7.522 268 HA SER 39 HA SER 39 10.977 -1.020 8.781 269 HB2 SER 39 1HB SER 39 12.807 -2.508 9.910 270 HB3 SER 39 2HB SER 39 13.686 -2.257 8.402 271 HG SER 39 HG SER 39 13.078 0.090 8.886 272 H ASP 40 H ASP 40 10.874 0.383 7.169 273 HA ASP 40 HA ASP 40 12.157 -0.312 4.608 274 HB2 ASP 40 1HB ASP 40 9.551 1.166 5.027 275 HB3 ASP 40 2HB ASP 40 10.335 0.915 3.470 276 H THR 41 H THR 41 13.807 0.991 4.213 277 HA THR 41 HA THR 41 13.617 3.806 5.070 278 HB THR 41 HB THR 41 16.139 2.152 4.845 279 HG1 THR 41 1HG THR 41 15.527 1.531 6.777 280 HG21 THR 41 3HG2 THR 41 17.314 4.040 5.068 281 HG22 THR 41 1HG2 THR 41 16.273 4.620 6.367 282 HG23 THR 41 2HG2 THR 41 15.825 4.903 4.685 283 H GLU 42 H GLU 42 13.206 4.986 3.312 284 HA GLU 42 HA GLU 42 14.851 4.508 0.918 285 HB2 GLU 42 1HB GLU 42 11.942 5.329 0.967 286 HB3 GLU 42 2HB GLU 42 12.937 5.184 -0.475 287 HG2 GLU 42 1HG GLU 42 13.050 2.856 -0.306 288 HG3 GLU 42 2HG GLU 42 12.505 2.865 1.370 289 H GLU 43 H GLU 43 15.472 6.289 3.022 290 HA GLU 43 HA GLU 43 14.645 8.913 2.720 291 HB2 GLU 43 1HB GLU 43 17.334 7.802 3.523 292 HB3 GLU 43 2HB GLU 43 16.929 9.510 3.623 293 HG2 GLU 43 1HG GLU 43 15.453 7.307 5.044 294 HG3 GLU 43 2HG GLU 43 16.696 8.325 5.768 295 H ARG 44 H ARG 44 17.126 7.136 0.944 296 HA ARG 44 HA ARG 44 18.507 8.954 -0.435 297 HB2 ARG 44 1HB ARG 44 17.127 6.535 -1.607 298 HB3 ARG 44 2HB ARG 44 18.373 7.455 -2.441 299 HG2 ARG 44 1HG ARG 44 19.803 6.970 -0.344 300 HG3 ARG 44 2HG ARG 44 18.615 5.703 -0.034 301 HD2 ARG 44 1HD ARG 44 20.151 4.536 -1.269 302 HD3 ARG 44 2HD ARG 44 19.078 5.103 -2.549 303 HE ARG 44 HE ARG 44 21.042 7.031 -2.245 304 HH11 ARG 44 2HH1 ARG 44 20.851 3.670 -3.130 305 HH12 ARG 44 1HH1 ARG 44 22.241 3.728 -4.163 306 HH21 ARG 44 2HH2 ARG 44 22.873 7.121 -3.602 307 HH22 ARG 44 1HH2 ARG 44 23.390 5.692 -4.430 308 H GLY 45 H GLY 45 15.302 7.858 -1.574 309 HA2 GLY 45 1HA GLY 45 15.136 10.183 -3.325 310 HA3 GLY 45 2HA GLY 45 14.011 8.834 -3.275 311 H PHE 46 H PHE 46 13.188 8.748 -0.711 312 HA PHE 46 HA PHE 46 11.110 10.403 -0.458 313 HB2 PHE 46 1HB PHE 46 11.303 8.761 1.205 314 HB3 PHE 46 2HB PHE 46 12.912 9.297 1.678 315 HD1 PHE 46 2HD PHE 46 13.154 11.459 2.923 316 HD2 PHE 46 1HD PHE 46 9.380 9.613 2.244 317 HE1 PHE 46 2HE PHE 46 12.174 12.805 4.734 318 HE2 PHE 46 1HE PHE 46 8.393 10.957 4.053 319 HZ PHE 46 HZ PHE 46 9.791 12.555 5.302 320 H LEU 47 H LEU 47 14.317 11.181 0.885 321 HA LEU 47 HA LEU 47 13.617 13.794 1.711 322 HB2 LEU 47 1HB LEU 47 16.131 12.257 1.376 323 HB3 LEU 47 2HB LEU 47 16.260 14.012 1.462 324 HG LEU 47 HG LEU 47 14.877 12.367 3.571 325 HD11 LEU 47 1HD1 LEU 47 17.749 13.275 3.470 326 HD12 LEU 47 2HD1 LEU 47 17.170 11.610 3.447 327 HD13 LEU 47 3HD1 LEU 47 16.942 12.602 4.886 328 HD21 LEU 47 3HD2 LEU 47 14.643 14.978 3.161 329 HD22 LEU 47 1HD2 LEU 47 16.162 14.997 4.057 330 HD23 LEU 47 2HD2 LEU 47 14.720 14.288 4.783 331 H GLU 48 H GLU 48 15.625 12.717 -1.038 332 HA GLU 48 HA GLU 48 16.090 15.109 -2.267 333 HB2 GLU 48 1HB GLU 48 15.734 12.329 -3.272 334 HB3 GLU 48 2HB GLU 48 15.762 13.626 -4.459 335 HG2 GLU 48 1HG GLU 48 17.946 14.271 -3.851 336 HG3 GLU 48 2HG GLU 48 17.909 13.285 -2.390 337 H LYS 49 H LYS 49 13.416 12.960 -3.250 338 HA LYS 49 HA LYS 49 12.031 14.449 -4.970 339 HB2 LYS 49 1HB LYS 49 11.413 12.237 -3.599 340 HB3 LYS 49 2HB LYS 49 10.362 13.369 -2.759 341 HG2 LYS 49 1HG LYS 49 9.003 13.656 -4.551 342 HG3 LYS 49 2HG LYS 49 10.304 13.410 -5.718 343 HD2 LYS 49 1HD LYS 49 9.145 11.200 -4.030 344 HD3 LYS 49 2HD LYS 49 8.562 11.596 -5.648 345 HE2 LYS 49 1HE LYS 49 11.478 11.158 -5.276 346 HE3 LYS 49 2HE LYS 49 10.419 9.750 -5.233 347 HZ1 LYS 49 3HZ LYS 49 9.875 9.975 -7.414 348 HZ2 LYS 49 1HZ LYS 49 11.429 10.641 -7.472 349 HZ3 LYS 49 2HZ LYS 49 10.076 11.655 -7.427 350 H ALA 50 H ALA 50 12.055 14.993 -1.479 351 HA ALA 50 HA ALA 50 10.188 17.161 -1.574 352 HB1 ALA 50 1HB ALA 50 12.119 16.372 0.606 353 HB2 ALA 50 2HB ALA 50 10.774 17.502 0.770 354 HB3 ALA 50 3HB ALA 50 10.459 15.799 0.436 355 H ALA 51 H ALA 51 13.716 16.902 -1.346 356 HA ALA 51 HA ALA 51 14.208 19.680 -1.116 357 HB1 ALA 51 1HB ALA 51 16.008 18.432 -0.429 358 HB2 ALA 51 2HB ALA 51 15.869 17.293 -1.769 359 HB3 ALA 51 3HB ALA 51 16.529 18.904 -2.047 360 H VAL 52 H VAL 52 14.606 17.495 -3.912 361 HA VAL 52 HA VAL 52 15.267 19.364 -5.825 362 HB VAL 52 HB VAL 52 13.527 16.930 -6.248 363 HG11 VAL 52 1HG1 VAL 52 13.481 18.474 -8.140 364 HG12 VAL 52 2HG1 VAL 52 15.245 18.476 -8.188 365 HG13 VAL 52 3HG1 VAL 52 14.354 16.996 -8.546 366 HG21 VAL 52 3HG2 VAL 52 16.473 17.301 -5.945 367 HG22 VAL 52 1HG2 VAL 52 15.427 16.031 -5.312 368 HG23 VAL 52 2HG2 VAL 52 15.864 16.042 -7.020 369 H LYS 53 H LYS 53 12.013 18.291 -4.877 370 HA LYS 53 HA LYS 53 10.630 19.967 -6.692 371 HB2 LYS 53 1HB LYS 53 9.880 18.400 -4.258 372 HB3 LYS 53 2HB LYS 53 8.738 19.574 -4.897 373 HG2 LYS 53 1HG LYS 53 9.160 18.359 -7.156 374 HG3 LYS 53 2HG LYS 53 9.742 17.048 -6.126 375 HD2 LYS 53 1HD LYS 53 7.495 16.532 -6.391 376 HD3 LYS 53 2HD LYS 53 7.515 17.390 -4.848 377 HE2 LYS 53 1HE LYS 53 7.054 19.490 -6.288 378 HE3 LYS 53 2HE LYS 53 6.568 18.335 -7.528 379 HZ1 LYS 53 3HZ LYS 53 5.240 19.065 -5.055 380 HZ2 LYS 53 1HZ LYS 53 5.221 17.414 -5.425 381 HZ3 LYS 53 2HZ LYS 53 4.585 18.533 -6.521 382 H LYS 54 H LYS 54 11.413 20.309 -3.244 383 HA LYS 54 HA LYS 54 10.131 22.617 -2.589 384 HB2 LYS 54 1HB LYS 54 12.743 21.440 -1.785 385 HB3 LYS 54 2HB LYS 54 12.419 23.099 -1.300 386 HG2 LYS 54 1HG LYS 54 10.664 22.498 0.071 387 HG3 LYS 54 2HG LYS 54 10.387 20.975 -0.779 388 HD2 LYS 54 1HD LYS 54 11.377 20.300 1.216 389 HD3 LYS 54 2HD LYS 54 12.731 20.326 0.085 390 HE2 LYS 54 1HE LYS 54 13.638 22.238 1.014 391 HE3 LYS 54 2HE LYS 54 12.098 22.762 1.694 392 HZ1 LYS 54 3HZ LYS 54 13.938 21.769 3.217 393 HZ2 LYS 54 1HZ LYS 54 13.322 20.285 2.686 394 HZ3 LYS 54 2HZ LYS 54 12.314 21.380 3.488 395 H MET 55 H MET 55 13.380 22.467 -4.055 396 HA MET 55 HA MET 55 13.842 25.174 -4.332 397 HB2 MET 55 1HB MET 55 14.645 23.010 -6.284 398 HB3 MET 55 2HB MET 55 15.394 24.594 -6.128 399 HG2 MET 55 1HG MET 55 15.287 22.853 -3.727 400 HG3 MET 55 2HG MET 55 16.425 22.443 -5.009 401 HE1 MET 55 3HE MET 55 19.356 24.159 -3.782 402 HE2 MET 55 1HE MET 55 18.526 22.699 -4.320 403 HE3 MET 55 2HE MET 55 18.785 24.032 -5.446 404 H ALA 56 H ALA 56 12.197 22.992 -6.601 405 HA ALA 56 HA ALA 56 11.732 24.777 -8.671 406 HB1 ALA 56 1HB ALA 56 11.252 22.521 -9.089 407 HB2 ALA 56 2HB ALA 56 10.177 22.401 -7.696 408 HB3 ALA 56 3HB ALA 56 9.682 23.325 -9.114 409 H LYS 57 H LYS 57 9.650 24.066 -5.871 410 HA LYS 57 HA LYS 57 7.499 25.667 -6.401 411 HB2 LYS 57 1HB LYS 57 8.880 24.958 -3.835 412 HB3 LYS 57 2HB LYS 57 7.505 26.053 -3.820 413 HG2 LYS 57 1HG LYS 57 6.292 24.208 -5.140 414 HG3 LYS 57 2HG LYS 57 7.600 23.161 -4.583 415 HD2 LYS 57 1HD LYS 57 5.905 24.840 -2.741 416 HD3 LYS 57 2HD LYS 57 5.542 23.160 -3.141 417 HE2 LYS 57 1HE LYS 57 7.741 22.498 -2.260 418 HE3 LYS 57 2HE LYS 57 8.061 24.177 -1.828 419 HZ1 LYS 57 3HZ LYS 57 7.001 23.862 0.072 420 HZ2 LYS 57 1HZ LYS 57 6.721 22.242 -0.330 421 HZ3 LYS 57 2HZ LYS 57 5.586 23.425 -0.745 422 H ALA 58 H ALA 58 10.479 26.685 -4.736 423 HA ALA 58 HA ALA 58 9.811 29.362 -4.362 424 HB1 ALA 58 1HB ALA 58 11.733 29.159 -3.261 425 HB2 ALA 58 2HB ALA 58 12.199 27.742 -4.203 426 HB3 ALA 58 3HB ALA 58 12.552 29.359 -4.810 427 H ILE 59 H ILE 59 11.001 27.692 -7.195 428 HA ILE 59 HA ILE 59 11.732 30.007 -8.675 429 HB ILE 59 HB ILE 59 10.969 27.261 -9.677 430 HG12 ILE 59 1HG1 ILE 59 13.654 28.498 -9.034 431 HG13 ILE 59 2HG1 ILE 59 12.882 27.164 -8.183 432 HG21 ILE 59 1HG2 ILE 59 12.048 27.863 -11.741 433 HG22 ILE 59 2HG2 ILE 59 10.803 29.057 -11.376 434 HG23 ILE 59 3HG2 ILE 59 12.501 29.438 -11.090 435 HD11 ILE 59 3HD1 ILE 59 14.666 26.406 -9.664 436 HD12 ILE 59 1HD1 ILE 59 13.098 25.762 -10.148 437 HD13 ILE 59 2HD1 ILE 59 13.815 27.102 -11.043 438 H MET 60 H MET 60 8.802 28.014 -8.551 439 HA MET 60 HA MET 60 7.279 28.909 -10.570 440 HB2 MET 60 1HB MET 60 6.367 28.657 -7.699 441 HB3 MET 60 2HB MET 60 5.299 28.707 -9.095 442 HG2 MET 60 1HG MET 60 6.670 26.673 -9.912 443 HG3 MET 60 2HG MET 60 7.173 26.551 -8.228 444 HE1 MET 60 3HE MET 60 4.750 23.811 -9.321 445 HE2 MET 60 1HE MET 60 4.002 24.956 -10.434 446 HE3 MET 60 2HE MET 60 5.759 24.835 -10.344 447 H ALA 61 H ALA 61 7.647 30.657 -7.488 448 HA ALA 61 HA ALA 61 6.293 32.980 -8.581 449 HB1 ALA 61 1HB ALA 61 5.894 32.274 -6.255 450 HB2 ALA 61 2HB ALA 61 7.583 32.615 -5.880 451 HB3 ALA 61 3HB ALA 61 6.506 33.925 -6.364 452 H ASP 62 H ASP 62 9.545 31.995 -7.655 453 HA ASP 62 HA ASP 62 10.575 34.579 -8.612 454 HB2 ASP 62 1HB ASP 62 11.590 32.567 -6.642 455 HB3 ASP 62 2HB ASP 62 12.743 33.596 -7.488 456 HA PRO 63 HA PRO 63 11.579 31.724 -12.066 457 HB2 PRO 63 1HB PRO 63 11.348 33.631 -13.984 458 HB3 PRO 63 2HB PRO 63 9.965 32.727 -13.357 459 HG2 PRO 63 1HG PRO 63 10.913 35.474 -12.641 460 HG3 PRO 63 2HG PRO 63 9.259 34.899 -12.922 461 HD2 PRO 63 1HD PRO 63 10.277 35.252 -10.437 462 HD3 PRO 63 2HD PRO 63 9.082 33.994 -10.809 463 H ASN 64 H ASN 64 12.893 34.704 -10.904 464 HA ASN 64 HA ASN 64 15.157 34.764 -12.665 465 HB2 ASN 64 1HB ASN 64 15.989 36.411 -10.811 466 HB3 ASN 64 2HB ASN 64 14.651 36.881 -11.855 467 HD21 ASN 64 1HD2 ASN 64 15.699 36.605 -8.713 468 HD22 ASN 64 2HD2 ASN 64 14.177 36.744 -7.908 469 H LYS 65 H LYS 65 14.331 32.974 -9.917 470 HA LYS 65 HA LYS 65 17.048 32.582 -8.987 471 HB2 LYS 65 1HB LYS 65 14.342 31.661 -8.114 472 HB3 LYS 65 2HB LYS 65 15.755 30.756 -7.585 473 HG2 LYS 65 1HG LYS 65 15.740 33.710 -7.234 474 HG3 LYS 65 2HG LYS 65 14.773 32.714 -6.143 475 HD2 LYS 65 1HD LYS 65 17.662 32.100 -6.679 476 HD3 LYS 65 2HD LYS 65 17.183 33.275 -5.452 477 HE2 LYS 65 1HE LYS 65 15.915 30.576 -5.456 478 HE3 LYS 65 2HE LYS 65 17.555 30.750 -4.834 479 HZ1 LYS 65 3HZ LYS 65 16.242 32.785 -3.639 480 HZ2 LYS 65 1HZ LYS 65 16.549 31.279 -2.931 481 HZ3 LYS 65 2HZ LYS 65 15.058 31.578 -3.672 482 H ALA 66 H ALA 66 14.690 30.952 -10.982 483 HA ALA 66 HA ALA 66 15.352 28.380 -11.131 484 HB1 ALA 66 1HB ALA 66 14.967 30.293 -13.415 485 HB2 ALA 66 2HB ALA 66 15.139 28.555 -13.657 486 HB3 ALA 66 3HB ALA 66 13.797 29.183 -12.702 487 H ASP 67 H ASP 67 17.174 30.765 -13.067 488 HA ASP 67 HA ASP 67 19.181 29.192 -14.013 489 HB2 ASP 67 1HB ASP 67 20.639 31.374 -13.580 490 HB3 ASP 67 2HB ASP 67 19.373 31.335 -14.803 491 H GLU 68 H GLU 68 19.344 30.990 -10.934 492 HA GLU 68 HA GLU 68 21.781 30.041 -10.041 493 HB2 GLU 68 1HB GLU 68 20.546 31.846 -8.934 494 HB3 GLU 68 2HB GLU 68 19.337 30.693 -8.385 495 HG2 GLU 68 1HG GLU 68 20.628 30.914 -6.512 496 HG3 GLU 68 2HG GLU 68 21.374 29.511 -7.275 497 H VAL 69 H VAL 69 18.561 28.630 -9.555 498 HA VAL 69 HA VAL 69 19.325 26.481 -7.936 499 HB VAL 69 HB VAL 69 17.031 26.781 -9.868 500 HG11 VAL 69 1HG1 VAL 69 17.923 24.424 -8.320 501 HG12 VAL 69 2HG1 VAL 69 16.197 24.791 -8.288 502 HG13 VAL 69 3HG1 VAL 69 17.013 24.515 -9.828 503 HG21 VAL 69 3HG2 VAL 69 16.561 28.189 -8.121 504 HG22 VAL 69 1HG2 VAL 69 15.863 26.689 -7.509 505 HG23 VAL 69 2HG2 VAL 69 17.452 27.215 -6.951 506 H TYR 70 H TYR 70 18.581 26.370 -11.427 507 HA TYR 70 HA TYR 70 19.226 23.870 -12.108 508 HB2 TYR 70 1HB TYR 70 20.236 26.296 -13.608 509 HB3 TYR 70 2HB TYR 70 20.013 24.684 -14.279 510 HD1 TYR 70 1HD TYR 70 17.354 24.172 -12.764 511 HD2 TYR 70 2HD TYR 70 18.765 27.396 -15.155 512 HE1 TYR 70 1HE TYR 70 15.035 24.739 -13.358 513 HE2 TYR 70 2HE TYR 70 16.450 27.973 -15.754 514 HH TYR 70 HH TYR 70 13.702 26.176 -14.407 515 H LYS 71 H LYS 71 21.623 26.424 -11.541 516 HA LYS 71 HA LYS 71 23.910 24.900 -12.113 517 HB2 LYS 71 1HB LYS 71 23.349 27.413 -10.624 518 HB3 LYS 71 2HB LYS 71 24.899 26.634 -10.335 519 HG2 LYS 71 1HG LYS 71 25.428 28.061 -12.045 520 HG3 LYS 71 2HG LYS 71 25.037 26.591 -12.941 521 HD2 LYS 71 1HD LYS 71 23.804 28.112 -14.124 522 HD3 LYS 71 2HD LYS 71 22.612 27.637 -12.912 523 HE2 LYS 71 1HE LYS 71 22.775 29.621 -11.777 524 HE3 LYS 71 2HE LYS 71 24.437 29.903 -12.291 525 HZ1 LYS 71 3HZ LYS 71 22.779 31.415 -13.315 526 HZ2 LYS 71 1HZ LYS 71 22.097 30.084 -14.106 527 HZ3 LYS 71 2HZ LYS 71 23.690 30.544 -14.443 528 H LYS 72 H LYS 72 22.166 25.439 -9.077 529 HA LYS 72 HA LYS 72 23.931 24.070 -7.383 530 HB2 LYS 72 1HB LYS 72 20.954 24.538 -7.192 531 HB3 LYS 72 2HB LYS 72 21.901 23.807 -5.902 532 HG2 LYS 72 1HG LYS 72 23.311 25.873 -5.883 533 HG3 LYS 72 2HG LYS 72 22.155 26.593 -7.007 534 HD2 LYS 72 1HD LYS 72 20.395 26.455 -5.410 535 HD3 LYS 72 2HD LYS 72 21.368 25.451 -4.332 536 HE2 LYS 72 1HE LYS 72 22.745 27.245 -3.724 537 HE3 LYS 72 2HE LYS 72 22.230 28.222 -5.097 538 HZ1 LYS 72 3HZ LYS 72 20.383 27.430 -2.921 539 HZ2 LYS 72 1HZ LYS 72 20.151 28.619 -4.103 540 HZ3 LYS 72 2HZ LYS 72 21.287 28.859 -2.873 541 H TRP 73 H TRP 73 21.047 22.930 -9.116 542 HA TRP 73 HA TRP 73 21.036 20.306 -8.175 543 HB2 TRP 73 1HB TRP 73 20.032 21.605 -10.686 544 HB3 TRP 73 2HB TRP 73 19.946 19.855 -10.506 545 HD1 TRP 73 HD TRP 73 19.264 20.143 -7.253 546 HE1 TRP 73 1HE TRP 73 16.829 20.702 -6.637 547 HE3 TRP 73 3HE TRP 73 17.715 22.065 -11.730 548 HZ2 TRP 73 2HZ TRP 73 14.552 21.811 -7.884 549 HZ3 TRP 73 3HZ TRP 73 15.393 22.853 -11.935 550 HH2 TRP 73 HH TRP 73 13.845 22.727 -10.051 551 H ALA 74 H ALA 74 22.152 21.281 -11.421 552 HA ALA 74 HA ALA 74 23.387 19.019 -12.235 553 HB1 ALA 74 1HB ALA 74 25.134 21.206 -12.865 554 HB2 ALA 74 2HB ALA 74 24.029 20.319 -13.915 555 HB3 ALA 74 3HB ALA 74 23.451 21.713 -13.003 556 H ASP 75 H ASP 75 24.623 21.316 -9.881 557 HA ASP 75 HA ASP 75 27.246 20.272 -9.704 558 HB2 ASP 75 1HB ASP 75 26.361 22.519 -8.833 559 HB3 ASP 75 2HB ASP 75 25.791 21.615 -7.434 560 H LYS 76 H LYS 76 24.278 19.617 -7.885 561 HA LYS 76 HA LYS 76 25.351 17.890 -5.970 562 HB2 LYS 76 1HB LYS 76 22.598 17.830 -7.220 563 HB3 LYS 76 2HB LYS 76 23.056 17.023 -5.727 564 HG2 LYS 76 1HG LYS 76 23.423 19.974 -6.008 565 HG3 LYS 76 2HG LYS 76 21.835 19.301 -5.630 566 HD2 LYS 76 1HD LYS 76 23.232 17.971 -3.818 567 HD3 LYS 76 2HD LYS 76 24.324 19.346 -4.000 568 HE2 LYS 76 1HE LYS 76 22.246 20.802 -3.674 569 HE3 LYS 76 2HE LYS 76 21.456 19.331 -3.107 570 HZ1 LYS 76 3HZ LYS 76 23.576 19.213 -1.601 571 HZ2 LYS 76 1HZ LYS 76 22.249 20.163 -1.156 572 HZ3 LYS 76 2HZ LYS 76 23.605 20.884 -1.862 573 H GLY 77 H GLY 77 24.120 17.233 -9.225 574 HA2 GLY 77 1HA GLY 77 25.317 15.510 -10.502 575 HA3 GLY 77 2HA GLY 77 25.348 14.552 -9.029 576 H TYR 78 H TYR 78 22.608 16.375 -10.307 577 HA TYR 78 HA TYR 78 21.018 13.936 -10.254 578 HB2 TYR 78 1HB TYR 78 20.267 16.838 -10.638 579 HB3 TYR 78 2HB TYR 78 19.109 15.513 -10.683 580 HD1 TYR 78 1HD TYR 78 19.194 13.921 -8.562 581 HD2 TYR 78 2HD TYR 78 20.581 17.942 -8.635 582 HE1 TYR 78 1HE TYR 78 18.953 14.042 -6.118 583 HE2 TYR 78 2HE TYR 78 20.346 18.074 -6.191 584 HH TYR 78 HH TYR 78 19.643 15.267 -4.258 585 H THR 79 H THR 79 19.270 13.883 -12.081 586 HA THR 79 HA THR 79 20.221 14.728 -14.676 587 HB THR 79 HB THR 79 21.539 12.728 -14.489 588 HG1 THR 79 1HG THR 79 19.203 12.257 -16.059 589 HG21 THR 79 3HG2 THR 79 19.913 10.553 -14.338 590 HG22 THR 79 1HG2 THR 79 19.099 11.666 -13.239 591 HG23 THR 79 2HG2 THR 79 20.789 11.240 -12.970 592 H LEU 80 H LEU 80 18.672 14.380 -16.364 593 HA LEU 80 HA LEU 80 16.120 15.024 -15.921 594 HB2 LEU 80 1HB LEU 80 16.854 12.923 -17.948 595 HB3 LEU 80 2HB LEU 80 15.507 14.056 -18.023 596 HG LEU 80 HG LEU 80 18.434 14.758 -18.245 597 HD11 LEU 80 1HD1 LEU 80 17.370 15.540 -20.557 598 HD12 LEU 80 2HD1 LEU 80 16.292 14.189 -20.208 599 HD13 LEU 80 3HD1 LEU 80 18.032 13.923 -20.314 600 HD21 LEU 80 3HD2 LEU 80 17.428 16.619 -17.251 601 HD22 LEU 80 1HD2 LEU 80 15.938 16.423 -18.174 602 HD23 LEU 80 2HD2 LEU 80 17.404 16.986 -18.977 603 H THR 81 H THR 81 17.248 11.649 -16.036 604 HA THR 81 HA THR 81 14.927 10.289 -15.600 605 HB THR 81 HB THR 81 17.584 9.682 -14.289 606 HG1 THR 81 1HG THR 81 16.613 8.417 -16.609 607 HG21 THR 81 3HG2 THR 81 15.478 8.496 -13.426 608 HG22 THR 81 1HG2 THR 81 16.834 7.488 -13.931 609 HG23 THR 81 2HG2 THR 81 15.444 7.695 -14.996 610 H GLN 82 H GLN 82 17.117 11.032 -12.886 611 HA GLN 82 HA GLN 82 15.179 10.597 -10.901 612 HB2 GLN 82 1HB GLN 82 17.671 12.299 -10.727 613 HB3 GLN 82 2HB GLN 82 16.764 11.650 -9.367 614 HG2 GLN 82 1HG GLN 82 17.907 9.820 -11.434 615 HG3 GLN 82 2HG GLN 82 18.920 10.462 -10.142 616 HE21 GLN 82 1HE2 GLN 82 19.167 8.236 -9.508 617 HE22 GLN 82 2HE2 GLN 82 17.952 7.481 -8.540 618 H MET 83 H MET 83 16.572 13.700 -11.988 619 HA MET 83 HA MET 83 15.167 15.517 -10.621 620 HB2 MET 83 1HB MET 83 16.760 16.053 -12.438 621 HB3 MET 83 2HB MET 83 15.528 15.633 -13.620 622 HG2 MET 83 1HG MET 83 15.729 18.049 -13.299 623 HG3 MET 83 2HG MET 83 14.130 17.447 -12.869 624 HE1 MET 83 3HE MET 83 17.550 18.497 -11.764 625 HE2 MET 83 1HE MET 83 17.371 19.090 -10.112 626 HE3 MET 83 2HE MET 83 17.486 17.357 -10.418 627 H SER 84 H SER 84 13.916 14.430 -13.780 628 HA SER 84 HA SER 84 11.396 15.472 -13.629 629 HB2 SER 84 1HB SER 84 12.564 14.060 -15.501 630 HB3 SER 84 2HB SER 84 11.737 12.703 -14.736 631 HG SER 84 HG SER 84 10.674 14.084 -16.515 632 H ASN 85 H ASN 85 12.295 12.174 -12.608 633 HA ASN 85 HA ASN 85 9.885 11.320 -11.618 634 HB2 ASN 85 1HB ASN 85 12.721 10.738 -10.870 635 HB3 ASN 85 2HB ASN 85 11.429 10.094 -9.861 636 HD21 ASN 85 1HD2 ASN 85 12.393 8.048 -10.587 637 HD22 ASN 85 2HD2 ASN 85 11.841 7.366 -12.075 638 H PHE 86 H PHE 86 12.075 13.645 -10.244 639 HA PHE 86 HA PHE 86 10.779 13.654 -7.660 640 HB2 PHE 86 1HB PHE 86 12.858 15.515 -8.829 641 HB3 PHE 86 2HB PHE 86 12.319 15.518 -7.153 642 HD1 PHE 86 1HD PHE 86 12.171 12.571 -6.692 643 HD2 PHE 86 2HD PHE 86 15.118 14.970 -8.609 644 HE1 PHE 86 1HE PHE 86 13.888 10.899 -6.137 645 HE2 PHE 86 2HE PHE 86 16.840 13.302 -8.057 646 HZ PHE 86 HZ PHE 86 16.226 11.262 -6.821 647 H LEU 87 H LEU 87 10.825 15.640 -10.570 648 HA LEU 87 HA LEU 87 9.030 17.600 -9.414 649 HB2 LEU 87 1HB LEU 87 10.068 17.322 -12.230 650 HB3 LEU 87 2HB LEU 87 9.171 18.698 -11.593 651 HG LEU 87 HG LEU 87 11.899 17.831 -10.641 652 HD11 LEU 87 1HD1 LEU 87 12.598 19.969 -11.793 653 HD12 LEU 87 2HD1 LEU 87 11.036 19.931 -12.612 654 HD13 LEU 87 3HD1 LEU 87 12.187 18.616 -12.847 655 HD21 LEU 87 3HD2 LEU 87 11.253 19.048 -8.863 656 HD22 LEU 87 1HD2 LEU 87 9.935 19.824 -9.742 657 HD23 LEU 87 2HD2 LEU 87 11.585 20.422 -9.918 658 H LYS 88 H LYS 88 8.616 14.579 -10.583 659 HA LYS 88 HA LYS 88 6.494 14.742 -12.390 660 HB2 LYS 88 1HB LYS 88 7.471 12.676 -10.473 661 HB3 LYS 88 2HB LYS 88 5.881 12.453 -11.191 662 HG2 LYS 88 1HG LYS 88 8.316 12.984 -12.860 663 HG3 LYS 88 2HG LYS 88 7.855 11.357 -12.355 664 HD2 LYS 88 1HD LYS 88 5.700 11.605 -13.454 665 HD3 LYS 88 2HD LYS 88 6.101 13.263 -13.906 666 HE2 LYS 88 1HE LYS 88 7.792 12.548 -15.394 667 HE3 LYS 88 2HE LYS 88 7.771 10.908 -14.747 668 HZ1 LYS 88 3HZ LYS 88 6.571 10.670 -16.669 669 HZ2 LYS 88 1HZ LYS 88 5.870 12.207 -16.572 670 HZ3 LYS 88 2HZ LYS 88 5.323 10.964 -15.565 671 H SER 89 H SER 89 6.110 13.782 -8.981 672 HA SER 89 HA SER 89 4.485 14.216 -7.449 673 HB2 SER 89 1HB SER 89 5.038 16.582 -7.872 674 HB3 SER 89 2HB SER 89 3.882 16.611 -9.204 675 HG SER 89 HG SER 89 3.415 16.457 -6.438 676 H LYS 90 H LYS 90 3.968 12.497 -9.700 677 HA LYS 90 HA LYS 90 2.268 11.520 -10.892 678 HB2 LYS 90 1HB LYS 90 1.890 10.910 -8.463 679 HB3 LYS 90 2HB LYS 90 0.665 12.172 -8.419 680 HG2 LYS 90 1HG LYS 90 -0.583 10.276 -8.814 681 HG3 LYS 90 2HG LYS 90 -0.353 10.920 -10.441 682 HD2 LYS 90 1HD LYS 90 0.115 8.648 -10.678 683 HD3 LYS 90 2HD LYS 90 1.712 9.385 -10.528 684 HE2 LYS 90 1HE LYS 90 1.515 7.356 -9.169 685 HE3 LYS 90 2HE LYS 90 1.786 8.786 -8.173 686 HZ1 LYS 90 3HZ LYS 90 -0.459 8.811 -7.508 687 HZ2 LYS 90 1HZ LYS 90 0.038 7.201 -7.364 688 HZ3 LYS 90 2HZ LYS 90 -0.914 7.677 -8.678 689 H THR 91 H THR 91 2.511 14.069 -11.781 690 HA THR 91 HA THR 91 -0.289 14.822 -12.269 691 HB THR 91 HB THR 91 1.939 16.833 -11.915 692 HG1 THR 91 1HG THR 91 -0.213 16.542 -10.117 693 HG21 THR 91 3HG2 THR 91 0.144 17.567 -13.399 694 HG22 THR 91 1HG2 THR 91 0.099 18.460 -11.880 695 HG23 THR 91 2HG2 THR 91 -1.054 17.157 -12.171 696 H ALA 92 H ALA 92 -0.740 15.651 -14.321 697 HA ALA 92 HA ALA 92 1.124 14.826 -16.376 698 HB1 ALA 92 1HB ALA 92 -0.949 14.226 -17.080 699 HB2 ALA 92 2HB ALA 92 -1.738 15.585 -16.277 700 HB3 ALA 92 3HB ALA 92 -0.885 15.835 -17.800 701 H GLY 93 H GLY 93 1.606 17.234 -14.615 702 HA2 GLY 93 1HA GLY 93 3.114 18.845 -16.077 703 HA3 GLY 93 2HA GLY 93 1.521 19.421 -16.548 704 H LYS 94 H LYS 94 3.510 18.783 -13.672 705 HA LYS 94 HA LYS 94 2.035 20.874 -12.240 706 HB2 LYS 94 1HB LYS 94 2.198 18.792 -11.035 707 HB3 LYS 94 2HB LYS 94 3.939 18.736 -11.276 708 HG2 LYS 94 1HG LYS 94 3.798 19.467 -9.108 709 HG3 LYS 94 2HG LYS 94 3.914 20.996 -9.982 710 HD2 LYS 94 1HD LYS 94 1.320 20.894 -9.994 711 HD3 LYS 94 2HD LYS 94 1.531 19.733 -8.680 712 HE2 LYS 94 1HE LYS 94 2.568 21.322 -7.299 713 HE3 LYS 94 2HE LYS 94 2.871 22.420 -8.644 714 HZ1 LYS 94 3HZ LYS 94 0.269 22.389 -8.768 715 HZ2 LYS 94 1HZ LYS 94 1.075 23.415 -7.691 716 HZ3 LYS 94 2HZ LYS 94 0.402 21.966 -7.136 717 H TYR 95 H TYR 95 5.431 19.800 -12.492 718 HA TYR 95 HA TYR 95 6.228 22.633 -12.338 719 HB2 TYR 95 1HB TYR 95 7.686 20.147 -11.428 720 HB3 TYR 95 2HB TYR 95 8.423 21.745 -11.490 721 HD1 TYR 95 1HD TYR 95 7.786 23.472 -9.900 722 HD2 TYR 95 2HD TYR 95 6.025 19.603 -9.744 723 HE1 TYR 95 1HE TYR 95 6.930 23.959 -7.646 724 HE2 TYR 95 2HE TYR 95 5.162 20.079 -7.491 725 HH TYR 95 HH TYR 95 4.671 22.773 -6.240 726 H ASP 96 H ASP 96 5.692 22.392 -14.742 727 HA ASP 96 HA ASP 96 7.644 21.001 -16.344 728 HB2 ASP 96 1HB ASP 96 5.483 21.098 -17.299 729 HB3 ASP 96 2HB ASP 96 5.335 22.825 -16.987 730 H ARG 97 H ARG 97 6.674 24.434 -16.315 731 HA ARG 97 HA ARG 97 8.660 25.589 -17.696 732 HB2 ARG 97 1HB ARG 97 8.499 27.551 -16.126 733 HB3 ARG 97 2HB ARG 97 6.961 26.965 -16.746 734 HG2 ARG 97 1HG ARG 97 6.714 25.669 -14.606 735 HG3 ARG 97 2HG ARG 97 8.121 26.549 -14.006 736 HD2 ARG 97 1HD ARG 97 5.834 28.071 -15.167 737 HD3 ARG 97 2HD ARG 97 5.689 27.416 -13.537 738 HE ARG 97 HE ARG 97 8.121 28.850 -13.864 739 HH11 ARG 97 2HH1 ARG 97 4.697 29.261 -13.387 740 HH12 ARG 97 1HH1 ARG 97 4.859 30.801 -12.609 741 HH21 ARG 97 2HH2 ARG 97 8.347 30.876 -12.840 742 HH22 ARG 97 1HH2 ARG 97 6.935 31.718 -12.299 743 H VAL 98 H VAL 98 8.957 24.272 -14.456 744 HA VAL 98 HA VAL 98 11.643 25.251 -14.083 745 HB VAL 98 HB VAL 98 10.062 23.224 -12.495 746 HG11 VAL 98 1HG1 VAL 98 12.419 22.852 -12.167 747 HG12 VAL 98 2HG1 VAL 98 12.692 24.575 -11.899 748 HG13 VAL 98 3HG1 VAL 98 11.755 23.637 -10.734 749 HG21 VAL 98 3HG2 VAL 98 9.921 26.069 -12.646 750 HG22 VAL 98 1HG2 VAL 98 8.997 24.966 -11.625 751 HG23 VAL 98 2HG2 VAL 98 10.538 25.611 -11.058 752 H TYR 99 H TYR 99 10.148 22.073 -14.649 753 HA TYR 99 HA TYR 99 12.489 20.556 -14.691 754 HB2 TYR 99 1HB TYR 99 10.409 19.408 -14.589 755 HB3 TYR 99 2HB TYR 99 9.828 20.176 -16.062 756 HD1 TYR 99 1HD TYR 99 12.684 18.028 -14.949 757 HD2 TYR 99 2HD TYR 99 9.826 18.900 -17.979 758 HE1 TYR 99 1HE TYR 99 13.500 16.115 -16.261 759 HE2 TYR 99 2HE TYR 99 10.634 16.988 -19.299 760 HH TYR 99 HH TYR 99 12.353 14.549 -18.142 761 H ASN 100 H ASN 100 10.686 21.906 -17.457 762 HA ASN 100 HA ASN 100 12.362 21.135 -19.499 763 HB2 ASN 100 1HB ASN 100 11.224 22.626 -20.838 764 HB3 ASN 100 2HB ASN 100 10.106 22.510 -19.481 765 HD21 ASN 100 1HD2 ASN 100 12.397 24.494 -21.150 766 HD22 ASN 100 2HD2 ASN 100 12.035 25.968 -20.325 767 H GLY 101 H GLY 101 12.508 24.214 -17.700 768 HA2 GLY 101 1HA GLY 101 14.661 25.408 -18.872 769 HA3 GLY 101 2HA GLY 101 14.329 25.517 -17.150 770 H TYR 102 H TYR 102 14.868 23.085 -16.176 771 HA TYR 102 HA TYR 102 17.645 23.035 -15.971 772 HB2 TYR 102 1HB TYR 102 16.132 22.047 -14.297 773 HB3 TYR 102 2HB TYR 102 15.704 20.775 -15.437 774 HD1 TYR 102 1HD TYR 102 18.886 22.288 -14.167 775 HD2 TYR 102 2HD TYR 102 16.670 18.744 -14.961 776 HE1 TYR 102 1HE TYR 102 20.771 20.935 -13.352 777 HE2 TYR 102 2HE TYR 102 18.548 17.381 -14.147 778 HH TYR 102 HH TYR 102 20.958 17.567 -13.833 779 H VAL 103 H VAL 103 15.480 21.036 -17.943 780 HA VAL 103 HA VAL 103 17.232 19.203 -18.984 781 HB VAL 103 HB VAL 103 15.036 20.622 -20.500 782 HG11 VAL 103 1HG1 VAL 103 16.002 19.520 -22.220 783 HG12 VAL 103 2HG1 VAL 103 16.824 18.369 -21.165 784 HG13 VAL 103 3HG1 VAL 103 15.117 18.151 -21.550 785 HG21 VAL 103 3HG2 VAL 103 14.468 19.455 -18.299 786 HG22 VAL 103 1HG2 VAL 103 13.547 18.982 -19.727 787 HG23 VAL 103 2HG2 VAL 103 14.850 17.951 -19.137 788 H ILE 104 H ILE 104 16.530 22.425 -20.339 789 HA ILE 104 HA ILE 104 18.425 22.273 -22.420 790 HB ILE 104 HB ILE 104 17.298 24.724 -21.063 791 HG12 ILE 104 1HG1 ILE 104 16.423 23.715 -23.739 792 HG13 ILE 104 2HG1 ILE 104 15.801 22.928 -22.293 793 HG21 ILE 104 1HG2 ILE 104 17.968 25.943 -23.044 794 HG22 ILE 104 2HG2 ILE 104 19.372 25.167 -22.314 795 HG23 ILE 104 3HG2 ILE 104 18.631 24.472 -23.755 796 HD11 ILE 104 3HD1 ILE 104 14.722 24.872 -21.567 797 HD12 ILE 104 1HD1 ILE 104 15.632 25.894 -22.680 798 HD13 ILE 104 2HD1 ILE 104 14.406 24.789 -23.300 799 H HIS 105 H HIS 105 18.624 23.456 -19.105 800 HA HIS 105 HA HIS 105 21.031 24.788 -19.140 801 HB2 HIS 105 1HB HIS 105 19.582 24.646 -17.159 802 HB3 HIS 105 2HB HIS 105 20.008 22.948 -16.966 803 HD1 HIS 105 1HD HIS 105 21.646 26.366 -16.868 804 HD2 HIS 105 2HD HIS 105 22.232 22.503 -15.456 805 HE1 HIS 105 1HE HIS 105 23.618 26.510 -15.313 806 HE2 HIS 105 2HE HIS 105 24.006 24.145 -14.538 807 H LEU 106 H LEU 106 20.444 21.326 -19.144 808 HA LEU 106 HA LEU 106 23.278 20.727 -18.915 809 HB2 LEU 106 1HB LEU 106 20.827 19.003 -19.186 810 HB3 LEU 106 2HB LEU 106 22.465 18.351 -19.176 811 HG LEU 106 HG LEU 106 21.402 20.005 -16.902 812 HD11 LEU 106 1HD1 LEU 106 21.358 17.004 -16.974 813 HD12 LEU 106 2HD1 LEU 106 19.959 17.976 -17.430 814 HD13 LEU 106 3HD1 LEU 106 20.618 18.090 -15.798 815 HD21 LEU 106 3HD2 LEU 106 23.903 19.402 -17.343 816 HD22 LEU 106 1HD2 LEU 106 23.427 17.818 -16.730 817 HD23 LEU 106 2HD2 LEU 106 23.228 19.250 -15.719 818 H ASP 107 H ASP 107 20.853 21.069 -21.356 819 HA ASP 107 HA ASP 107 21.722 19.534 -23.439 820 HB2 ASP 107 1HB ASP 107 19.756 20.965 -23.601 821 HB3 ASP 107 2HB ASP 107 20.772 22.403 -23.567 822 H TYR 108 H TYR 108 23.221 22.419 -22.149 823 HA TYR 108 HA TYR 108 24.893 23.282 -24.091 824 HB2 TYR 108 1HB TYR 108 26.282 24.154 -22.428 825 HB3 TYR 108 2HB TYR 108 24.740 23.973 -21.599 826 HD1 TYR 108 1HD TYR 108 24.416 21.703 -20.320 827 HD2 TYR 108 2HD TYR 108 28.196 23.305 -21.438 828 HE1 TYR 108 1HE TYR 108 25.502 20.333 -18.590 829 HE2 TYR 108 2HE TYR 108 29.292 21.938 -19.713 830 HH TYR 108 HH TYR 108 28.438 20.860 -17.402 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.300 -48.576 -71.999 2 HA2 GLY 1 1HA GLY 1 -1.477 -47.032 -70.367 3 HA3 GLY 1 2HA GLY 1 -0.296 -48.203 -69.801 4 H SER 2 H SER 2 -0.878 -45.692 -68.581 5 HA SER 2 HA SER 2 1.795 -44.674 -68.365 6 HB2 SER 2 1HB SER 2 0.560 -43.504 -70.391 7 HB3 SER 2 2HB SER 2 -0.186 -42.559 -69.103 8 HG SER 2 HG SER 2 1.600 -41.483 -68.963 9 H SER 3 H SER 3 1.701 -42.594 -66.887 10 HA SER 3 HA SER 3 -0.495 -42.360 -65.096 11 HB2 SER 3 1HB SER 3 0.476 -44.573 -64.390 12 HB3 SER 3 2HB SER 3 1.954 -43.717 -63.949 13 HG SER 3 HG SER 3 0.221 -44.104 -62.278 14 H GLY 4 H GLY 4 0.121 -40.989 -63.151 15 HA2 GLY 4 1HA GLY 4 2.541 -39.408 -63.501 16 HA3 GLY 4 2HA GLY 4 1.024 -38.556 -63.754 17 H SER 5 H SER 5 1.786 -37.211 -61.968 18 HA SER 5 HA SER 5 0.599 -38.027 -59.500 19 HB2 SER 5 1HB SER 5 3.056 -39.005 -59.629 20 HB3 SER 5 2HB SER 5 3.495 -37.360 -59.170 21 HG SER 5 HG SER 5 3.157 -38.772 -57.365 22 H SER 6 H SER 6 1.269 -36.278 -57.733 23 HA SER 6 HA SER 6 1.633 -33.651 -58.953 24 HB2 SER 6 1HB SER 6 -0.866 -34.292 -58.821 25 HB3 SER 6 2HB SER 6 -0.686 -34.084 -57.079 26 HG SER 6 HG SER 6 -0.901 -32.035 -57.430 27 H GLY 7 H GLY 7 1.413 -31.944 -57.028 28 HA2 GLY 7 1HA GLY 7 2.694 -33.049 -54.621 29 HA3 GLY 7 2HA GLY 7 3.488 -31.747 -55.496 30 H ASN 8 H ASN 8 3.352 -30.539 -53.505 31 HA ASN 8 HA ASN 8 0.816 -29.103 -53.317 32 HB2 ASN 8 1HB ASN 8 0.510 -29.406 -51.028 33 HB3 ASN 8 2HB ASN 8 1.041 -31.002 -51.550 34 HD21 ASN 8 1HD2 ASN 8 1.596 -28.427 -49.463 35 HD22 ASN 8 2HD2 ASN 8 3.119 -28.940 -48.827 36 H VAL 9 H VAL 9 1.026 -27.070 -52.075 37 HA VAL 9 HA VAL 9 3.784 -26.030 -52.114 38 HB VAL 9 HB VAL 9 1.309 -24.514 -52.955 39 HG11 VAL 9 1HG1 VAL 9 3.647 -23.521 -51.898 40 HG12 VAL 9 2HG1 VAL 9 3.910 -23.400 -53.639 41 HG13 VAL 9 3HG1 VAL 9 2.505 -22.629 -52.903 42 HG21 VAL 9 3HG2 VAL 9 3.451 -24.866 -54.906 43 HG22 VAL 9 1HG2 VAL 9 2.678 -26.378 -54.428 44 HG23 VAL 9 2HG2 VAL 9 1.708 -25.061 -55.089 45 H ASP 10 H ASP 10 4.412 -24.869 -50.380 46 HA ASP 10 HA ASP 10 2.413 -24.443 -48.264 47 HB2 ASP 10 1HB ASP 10 4.416 -25.966 -47.843 48 HB3 ASP 10 2HB ASP 10 5.405 -24.509 -47.889 49 H SER 11 H SER 11 3.044 -22.583 -46.746 50 HA SER 11 HA SER 11 4.150 -20.313 -48.241 51 HB2 SER 11 1HB SER 11 1.530 -20.497 -48.205 52 HB3 SER 11 2HB SER 11 1.704 -19.897 -46.556 53 HG SER 11 HG SER 11 2.821 -18.635 -48.839 54 H ASN 12 H ASN 12 4.179 -18.323 -46.623 55 HA ASN 12 HA ASN 12 5.209 -19.303 -44.042 56 HB2 ASN 12 1HB ASN 12 6.975 -17.674 -44.117 57 HB3 ASN 12 2HB ASN 12 7.008 -18.573 -45.631 58 HD21 ASN 12 1HD2 ASN 12 8.177 -16.813 -46.526 59 HD22 ASN 12 2HD2 ASN 12 7.355 -15.384 -47.042 60 H GLN 13 H GLN 13 5.567 -17.185 -42.582 61 HA GLN 13 HA GLN 13 3.095 -15.593 -42.742 62 HB2 GLN 13 1HB GLN 13 2.778 -17.255 -41.017 63 HB3 GLN 13 2HB GLN 13 4.329 -16.855 -40.290 64 HG2 GLN 13 1HG GLN 13 2.648 -15.869 -38.950 65 HG3 GLN 13 2HG GLN 13 3.435 -14.567 -39.841 66 HE21 GLN 13 1HE2 GLN 13 0.549 -15.630 -38.814 67 HE22 GLN 13 2HE2 GLN 13 -0.483 -14.929 -40.009 68 H ASN 14 H ASN 14 3.189 -13.492 -41.803 69 HA ASN 14 HA ASN 14 5.678 -12.446 -40.822 70 HB2 ASN 14 1HB ASN 14 5.740 -12.551 -43.455 71 HB3 ASN 14 2HB ASN 14 4.735 -11.110 -43.329 72 HD21 ASN 14 1HD2 ASN 14 7.122 -10.903 -44.540 73 HD22 ASN 14 2HD2 ASN 14 8.236 -10.027 -43.550 74 H LYS 15 H LYS 15 5.423 -9.855 -40.888 75 HA LYS 15 HA LYS 15 4.358 -8.081 -39.942 76 HB2 LYS 15 1HB LYS 15 2.054 -9.396 -41.375 77 HB3 LYS 15 2HB LYS 15 1.884 -7.870 -40.518 78 HG2 LYS 15 1HG LYS 15 3.865 -7.097 -41.988 79 HG3 LYS 15 2HG LYS 15 3.438 -8.481 -42.997 80 HD2 LYS 15 1HD LYS 15 1.373 -7.596 -43.560 81 HD3 LYS 15 2HD LYS 15 1.322 -6.548 -42.141 82 HE2 LYS 15 1HE LYS 15 3.371 -6.157 -44.296 83 HE3 LYS 15 2HE LYS 15 1.750 -5.479 -44.444 84 HZ1 LYS 15 3HZ LYS 15 3.940 -4.490 -42.978 85 HZ2 LYS 15 1HZ LYS 15 2.680 -4.840 -41.904 86 HZ3 LYS 15 2HZ LYS 15 2.416 -3.790 -43.203 87 H ALA 16 H ALA 16 4.919 -9.850 -38.077 88 HA ALA 16 HA ALA 16 2.956 -11.120 -36.629 89 HB1 ALA 16 1HB ALA 16 4.612 -11.498 -35.193 90 HB2 ALA 16 2HB ALA 16 5.633 -10.516 -36.245 91 HB3 ALA 16 3HB ALA 16 4.819 -9.777 -34.866 92 H SER 17 H SER 17 1.484 -10.558 -35.070 93 HA SER 17 HA SER 17 0.282 -8.033 -35.223 94 HB2 SER 17 1HB SER 17 -1.075 -8.763 -33.302 95 HB3 SER 17 2HB SER 17 -0.933 -10.044 -34.506 96 HG SER 17 HG SER 17 1.034 -10.559 -33.016 97 H MET 18 H MET 18 1.287 -6.214 -34.647 98 HA MET 18 HA MET 18 3.364 -5.913 -32.852 99 HB2 MET 18 1HB MET 18 1.333 -4.071 -34.013 100 HB3 MET 18 2HB MET 18 2.283 -3.484 -32.654 101 HG2 MET 18 1HG MET 18 4.332 -4.178 -33.968 102 HG3 MET 18 2HG MET 18 3.254 -4.382 -35.346 103 HE1 MET 18 3HE MET 18 4.170 -2.924 -36.901 104 HE2 MET 18 1HE MET 18 2.553 -2.220 -36.939 105 HE3 MET 18 2HE MET 18 3.971 -1.171 -36.919 106 H LEU 19 H LEU 19 3.024 -4.243 -30.888 107 HA LEU 19 HA LEU 19 1.763 -5.757 -28.851 108 HB2 LEU 19 1HB LEU 19 3.762 -4.232 -28.616 109 HB3 LEU 19 2HB LEU 19 2.630 -2.882 -28.660 110 HG LEU 19 HG LEU 19 2.242 -5.030 -26.625 111 HD11 LEU 19 1HD1 LEU 19 4.691 -4.241 -26.700 112 HD12 LEU 19 2HD1 LEU 19 3.839 -4.197 -25.157 113 HD13 LEU 19 3HD1 LEU 19 4.061 -2.713 -26.083 114 HD21 LEU 19 3HD2 LEU 19 1.023 -3.449 -25.510 115 HD22 LEU 19 1HD2 LEU 19 0.769 -2.914 -27.171 116 HD23 LEU 19 2HD2 LEU 19 1.964 -2.104 -26.157 117 H GLN 20 H GLN 20 -0.379 -5.935 -28.715 118 HA GLN 20 HA GLN 20 -1.998 -3.493 -29.029 119 HB2 GLN 20 1HB GLN 20 -2.373 -5.252 -30.769 120 HB3 GLN 20 2HB GLN 20 -2.909 -6.336 -29.492 121 HG2 GLN 20 1HG GLN 20 -4.687 -4.683 -28.934 122 HG3 GLN 20 2HG GLN 20 -4.202 -3.763 -30.357 123 HE21 GLN 20 1HE2 GLN 20 -5.440 -6.868 -29.266 124 HE22 GLN 20 2HE2 GLN 20 -6.243 -7.275 -30.740 125 H ALA 21 H ALA 21 -1.927 -2.906 -26.861 126 HA ALA 21 HA ALA 21 -3.174 -4.794 -24.974 127 HB1 ALA 21 1HB ALA 21 -1.547 -4.299 -23.554 128 HB2 ALA 21 2HB ALA 21 -0.824 -3.232 -24.759 129 HB3 ALA 21 3HB ALA 21 -1.998 -2.594 -23.608 130 H ARG 22 H ARG 22 -5.308 -4.370 -24.996 131 HA ARG 22 HA ARG 22 -6.136 -1.629 -24.345 132 HB2 ARG 22 1HB ARG 22 -7.221 -3.394 -26.527 133 HB3 ARG 22 2HB ARG 22 -8.194 -2.115 -25.814 134 HG2 ARG 22 1HG ARG 22 -6.965 -0.453 -26.768 135 HG3 ARG 22 2HG ARG 22 -5.483 -1.412 -26.791 136 HD2 ARG 22 1HD ARG 22 -6.359 -1.029 -29.049 137 HD3 ARG 22 2HD ARG 22 -6.346 -2.742 -28.630 138 HE ARG 22 HE ARG 22 -8.854 -1.455 -28.089 139 HH11 ARG 22 2HH1 ARG 22 -6.917 -3.023 -30.521 140 HH12 ARG 22 1HH1 ARG 22 -8.277 -3.501 -31.481 141 HH21 ARG 22 2HH2 ARG 22 -10.652 -2.080 -29.345 142 HH22 ARG 22 1HH2 ARG 22 -10.401 -2.964 -30.812 143 H LEU 23 H LEU 23 -6.476 -2.201 -22.201 144 HA LEU 23 HA LEU 23 -8.996 -3.468 -21.660 145 HB2 LEU 23 1HB LEU 23 -8.026 -5.122 -20.064 146 HB3 LEU 23 2HB LEU 23 -7.728 -5.470 -21.766 147 HG LEU 23 HG LEU 23 -5.632 -4.026 -20.214 148 HD11 LEU 23 1HD1 LEU 23 -5.005 -5.755 -18.939 149 HD12 LEU 23 2HD1 LEU 23 -5.383 -6.942 -20.187 150 HD13 LEU 23 3HD1 LEU 23 -6.665 -6.313 -19.153 151 HD21 LEU 23 3HD2 LEU 23 -5.682 -4.639 -22.748 152 HD22 LEU 23 1HD2 LEU 23 -5.227 -6.243 -22.173 153 HD23 LEU 23 2HD2 LEU 23 -4.199 -4.854 -21.817 154 H ASN 24 H ASN 24 -9.910 -2.295 -20.119 155 HA ASN 24 HA ASN 24 -8.174 -1.020 -18.107 156 HB2 ASN 24 1HB ASN 24 -9.477 0.407 -19.920 157 HB3 ASN 24 2HB ASN 24 -10.823 0.170 -18.808 158 HD21 ASN 24 1HD2 ASN 24 -10.468 0.806 -16.562 159 HD22 ASN 24 2HD2 ASN 24 -9.453 2.166 -16.237 160 H ASP 25 H ASP 25 -8.434 -2.669 -16.597 161 HA ASP 25 HA ASP 25 -11.161 -3.225 -15.674 162 HB2 ASP 25 1HB ASP 25 -9.570 -5.116 -16.208 163 HB3 ASP 25 2HB ASP 25 -8.617 -4.609 -14.816 164 H GLU 26 H GLU 26 -11.457 -1.213 -14.605 165 HA GLU 26 HA GLU 26 -9.772 -0.776 -12.240 166 HB2 GLU 26 1HB GLU 26 -11.550 1.021 -13.859 167 HB3 GLU 26 2HB GLU 26 -11.109 1.451 -12.212 168 HG2 GLU 26 1HG GLU 26 -9.006 0.742 -14.213 169 HG3 GLU 26 2HG GLU 26 -9.706 2.359 -14.173 170 H ALA 27 H ALA 27 -10.602 -2.112 -10.703 171 HA ALA 27 HA ALA 27 -13.487 -2.068 -10.202 172 HB1 ALA 27 1HB ALA 27 -12.365 -4.253 -10.375 173 HB2 ALA 27 2HB ALA 27 -11.372 -3.835 -8.978 174 HB3 ALA 27 3HB ALA 27 -13.118 -4.005 -8.800 175 H GLY 28 H GLY 28 -14.027 -2.248 -7.750 176 HA2 GLY 28 1HA GLY 28 -12.419 -1.089 -5.788 177 HA3 GLY 28 2HA GLY 28 -13.314 0.214 -6.555 178 H GLY 29 H GLY 29 -14.052 -3.102 -5.449 179 HA2 GLY 29 1HA GLY 29 -16.730 -2.653 -4.844 180 HA3 GLY 29 2HA GLY 29 -15.733 -3.896 -4.103 181 H THR 30 H THR 30 -14.630 -3.425 -2.147 182 HA THR 30 HA THR 30 -16.114 -1.661 -0.430 183 HB THR 30 HB THR 30 -15.290 -3.853 0.367 184 HG1 THR 30 1HG THR 30 -14.127 -2.794 2.300 185 HG21 THR 30 3HG2 THR 30 -12.932 -4.153 0.904 186 HG22 THR 30 1HG2 THR 30 -12.561 -2.564 0.237 187 HG23 THR 30 2HG2 THR 30 -13.134 -3.853 -0.822 188 H ARG 31 H ARG 31 -15.313 0.115 0.730 189 HA ARG 31 HA ARG 31 -12.854 1.308 -0.371 190 HB2 ARG 31 1HB ARG 31 -15.351 2.766 0.515 191 HB3 ARG 31 2HB ARG 31 -13.888 3.510 -0.115 192 HG2 ARG 31 1HG ARG 31 -15.253 1.479 -1.794 193 HG3 ARG 31 2HG ARG 31 -15.996 3.072 -1.635 194 HD2 ARG 31 1HD ARG 31 -14.101 4.153 -2.538 195 HD3 ARG 31 2HD ARG 31 -13.104 2.709 -2.369 196 HE ARG 31 HE ARG 31 -15.057 1.919 -4.067 197 HH11 ARG 31 2HH1 ARG 31 -12.865 4.624 -4.026 198 HH12 ARG 31 1HH1 ARG 31 -12.790 4.757 -5.752 199 HH21 ARG 31 2HH2 ARG 31 -14.966 2.084 -6.340 200 HH22 ARG 31 1HH2 ARG 31 -13.986 3.312 -7.067 201 H LEU 32 H LEU 32 -11.386 0.983 1.199 202 HA LEU 32 HA LEU 32 -12.135 1.402 3.991 203 HB2 LEU 32 1HB LEU 32 -9.630 0.321 2.713 204 HB3 LEU 32 2HB LEU 32 -9.838 0.537 4.449 205 HG LEU 32 HG LEU 32 -11.642 -1.229 2.810 206 HD11 LEU 32 1HD1 LEU 32 -10.271 -3.111 3.680 207 HD12 LEU 32 2HD1 LEU 32 -9.073 -1.934 4.219 208 HD13 LEU 32 3HD1 LEU 32 -9.433 -2.102 2.500 209 HD21 LEU 32 3HD2 LEU 32 -12.544 -0.577 4.947 210 HD22 LEU 32 1HD2 LEU 32 -11.040 -1.015 5.757 211 HD23 LEU 32 2HD2 LEU 32 -12.041 -2.267 5.023 212 H LEU 33 H LEU 33 -10.394 2.512 5.360 213 HA LEU 33 HA LEU 33 -9.686 5.032 4.026 214 HB2 LEU 33 1HB LEU 33 -10.441 4.297 6.809 215 HB3 LEU 33 2HB LEU 33 -9.371 5.677 6.568 216 HG LEU 33 HG LEU 33 -11.229 6.483 4.926 217 HD11 LEU 33 1HD1 LEU 33 -13.487 5.773 5.897 218 HD12 LEU 33 2HD1 LEU 33 -12.622 4.382 6.550 219 HD13 LEU 33 3HD1 LEU 33 -12.670 4.651 4.808 220 HD21 LEU 33 3HD2 LEU 33 -11.209 6.574 7.913 221 HD22 LEU 33 1HD2 LEU 33 -12.505 7.363 7.013 222 HD23 LEU 33 2HD2 LEU 33 -10.828 7.843 6.749 223 H ARG 34 H ARG 34 -7.713 4.429 3.136 224 HA ARG 34 HA ARG 34 -5.514 4.342 5.044 225 HB2 ARG 34 1HB ARG 34 -6.056 2.204 2.992 226 HB3 ARG 34 2HB ARG 34 -4.446 2.487 3.638 227 HG2 ARG 34 1HG ARG 34 -5.504 2.182 5.939 228 HG3 ARG 34 2HG ARG 34 -6.893 1.524 5.074 229 HD2 ARG 34 1HD ARG 34 -5.498 -0.184 4.072 230 HD3 ARG 34 2HD ARG 34 -4.064 0.509 4.828 231 HE ARG 34 HE ARG 34 -5.946 -0.127 6.817 232 HH11 ARG 34 2HH1 ARG 34 -3.799 -1.670 4.552 233 HH12 ARG 34 1HH1 ARG 34 -3.580 -3.086 5.524 234 HH21 ARG 34 2HH2 ARG 34 -5.666 -1.987 8.107 235 HH22 ARG 34 1HH2 ARG 34 -4.643 -3.266 7.546 236 H VAL 35 H VAL 35 -3.849 5.563 4.396 237 HA VAL 35 HA VAL 35 -3.936 6.648 1.670 238 HB VAL 35 HB VAL 35 -2.456 8.428 2.518 239 HG11 VAL 35 1HG1 VAL 35 -4.469 8.704 4.552 240 HG12 VAL 35 2HG1 VAL 35 -4.293 9.571 3.025 241 HG13 VAL 35 3HG1 VAL 35 -5.171 8.041 3.077 242 HG21 VAL 35 3HG2 VAL 35 -1.200 7.865 4.290 243 HG22 VAL 35 1HG2 VAL 35 -2.607 8.338 5.242 244 HG23 VAL 35 2HG2 VAL 35 -2.347 6.642 4.835 245 H HIS 36 H HIS 36 -2.739 5.451 0.323 246 HA HIS 36 HA HIS 36 -0.154 4.417 1.245 247 HB2 HIS 36 1HB HIS 36 -1.625 3.761 -1.313 248 HB3 HIS 36 2HB HIS 36 -0.224 2.922 -0.653 249 HD1 HIS 36 1HD HIS 36 -0.729 1.774 1.804 250 HD2 HIS 36 2HD HIS 36 -3.984 2.623 -0.635 251 HE1 HIS 36 1HE HIS 36 -2.616 0.363 2.684 252 HE2 HIS 36 2HE HIS 36 -4.550 0.830 1.140 253 H HIS 37 H HIS 37 -0.278 7.161 0.818 254 HA HIS 37 HA HIS 37 0.971 7.606 -1.792 255 HB2 HIS 37 1HB HIS 37 0.435 9.855 -1.584 256 HB3 HIS 37 2HB HIS 37 -0.907 9.086 -0.741 257 HD1 HIS 37 1HD HIS 37 -1.239 9.682 1.679 258 HD2 HIS 37 2HD HIS 37 2.385 11.047 0.174 259 HE1 HIS 37 1HE HIS 37 -0.286 11.170 3.468 260 HE2 HIS 37 2HE HIS 37 1.866 12.051 2.501 261 H GLU 38 H GLU 38 3.101 7.798 -2.009 262 HA GLU 38 HA GLU 38 5.315 8.002 -1.528 263 HB2 GLU 38 1HB GLU 38 4.440 10.234 -0.646 264 HB3 GLU 38 2HB GLU 38 4.516 9.511 0.955 265 HG2 GLU 38 1HG GLU 38 6.521 10.635 0.807 266 HG3 GLU 38 2HG GLU 38 6.968 8.990 0.358 267 H SER 39 H SER 39 4.322 5.615 -0.851 268 HA SER 39 HA SER 39 5.307 5.040 1.858 269 HB2 SER 39 1HB SER 39 3.970 3.078 1.852 270 HB3 SER 39 2HB SER 39 2.956 4.337 1.145 271 HG SER 39 HG SER 39 4.307 2.222 -0.151 272 H ASP 40 H ASP 40 6.594 3.105 2.176 273 HA ASP 40 HA ASP 40 8.448 1.851 1.769 274 HB2 ASP 40 1HB ASP 40 6.638 0.891 0.121 275 HB3 ASP 40 2HB ASP 40 7.678 1.598 -1.113 276 H THR 41 H THR 41 8.803 4.619 1.590 277 HA THR 41 HA THR 41 10.846 4.824 -0.527 278 HB THR 41 HB THR 41 9.327 7.128 0.706 279 HG1 THR 41 1HG THR 41 9.005 5.908 -1.853 280 HG21 THR 41 3HG2 THR 41 11.355 7.987 -0.070 281 HG22 THR 41 1HG2 THR 41 10.260 8.241 -1.428 282 HG23 THR 41 2HG2 THR 41 11.399 6.894 -1.452 283 H GLU 42 H GLU 42 12.775 4.532 0.392 284 HA GLU 42 HA GLU 42 13.336 5.024 3.123 285 HB2 GLU 42 1HB GLU 42 15.676 4.576 2.515 286 HB3 GLU 42 2HB GLU 42 14.586 3.369 1.847 287 HG2 GLU 42 1HG GLU 42 15.420 5.721 0.206 288 HG3 GLU 42 2HG GLU 42 16.484 4.327 0.381 289 H GLU 43 H GLU 43 14.540 6.647 4.107 290 HA GLU 43 HA GLU 43 14.078 9.241 3.519 291 HB2 GLU 43 1HB GLU 43 16.499 8.009 4.825 292 HB3 GLU 43 2HB GLU 43 16.267 9.750 4.734 293 HG2 GLU 43 1HG GLU 43 14.056 9.399 5.886 294 HG3 GLU 43 2HG GLU 43 14.563 7.734 6.167 295 H ARG 44 H ARG 44 16.885 7.381 2.388 296 HA ARG 44 HA ARG 44 18.417 9.181 1.123 297 HB2 ARG 44 1HB ARG 44 17.556 6.437 0.297 298 HB3 ARG 44 2HB ARG 44 18.557 7.388 -0.792 299 HG2 ARG 44 1HG ARG 44 19.314 6.873 2.068 300 HG3 ARG 44 2HG ARG 44 19.762 5.792 0.748 301 HD2 ARG 44 1HD ARG 44 20.420 8.732 0.832 302 HD3 ARG 44 2HD ARG 44 21.517 7.457 1.359 303 HE ARG 44 HE ARG 44 20.995 8.258 -1.320 304 HH11 ARG 44 2HH1 ARG 44 21.746 5.496 0.662 305 HH12 ARG 44 1HH1 ARG 44 22.508 4.617 -0.623 306 HH21 ARG 44 2HH2 ARG 44 21.995 7.111 -3.019 307 HH22 ARG 44 1HH2 ARG 44 22.649 5.538 -2.716 308 H GLY 45 H GLY 45 15.466 7.789 -0.315 309 HA2 GLY 45 1HA GLY 45 15.581 9.741 -2.479 310 HA3 GLY 45 2HA GLY 45 14.448 8.405 -2.340 311 H PHE 46 H PHE 46 13.320 8.815 0.107 312 HA PHE 46 HA PHE 46 11.258 10.529 -0.325 313 HB2 PHE 46 1HB PHE 46 10.899 9.198 1.519 314 HB3 PHE 46 2HB PHE 46 12.518 9.465 2.159 315 HD1 PHE 46 1HD PHE 46 9.185 11.007 1.744 316 HD2 PHE 46 2HD PHE 46 12.932 11.136 3.759 317 HE1 PHE 46 1HE PHE 46 8.283 12.680 3.307 318 HE2 PHE 46 2HE PHE 46 12.036 12.808 5.325 319 HZ PHE 46 HZ PHE 46 9.709 13.581 5.102 320 H LEU 47 H LEU 47 13.878 11.378 1.940 321 HA LEU 47 HA LEU 47 13.291 14.060 2.194 322 HB2 LEU 47 1HB LEU 47 15.782 12.455 2.471 323 HB3 LEU 47 2HB LEU 47 15.905 14.212 2.511 324 HG LEU 47 HG LEU 47 14.046 12.724 4.342 325 HD11 LEU 47 1HD1 LEU 47 16.189 13.374 5.895 326 HD12 LEU 47 2HD1 LEU 47 16.968 12.830 4.410 327 HD13 LEU 47 3HD1 LEU 47 15.848 11.765 5.258 328 HD21 LEU 47 3HD2 LEU 47 13.856 14.696 5.479 329 HD22 LEU 47 1HD2 LEU 47 14.111 15.314 3.847 330 HD23 LEU 47 2HD2 LEU 47 15.453 15.263 4.990 331 H GLU 48 H GLU 48 15.853 12.733 0.089 332 HA GLU 48 HA GLU 48 16.702 14.895 -1.245 333 HB2 GLU 48 1HB GLU 48 17.129 12.337 -1.656 334 HB3 GLU 48 2HB GLU 48 15.922 12.539 -2.918 335 HG2 GLU 48 1HG GLU 48 18.405 14.219 -2.699 336 HG3 GLU 48 2HG GLU 48 18.289 12.754 -3.672 337 H LYS 49 H LYS 49 13.862 13.032 -2.341 338 HA LYS 49 HA LYS 49 13.034 14.634 -4.406 339 HB2 LYS 49 1HB LYS 49 12.038 12.427 -3.581 340 HB3 LYS 49 2HB LYS 49 11.090 13.398 -2.463 341 HG2 LYS 49 1HG LYS 49 9.950 14.485 -4.233 342 HG3 LYS 49 2HG LYS 49 11.059 13.825 -5.438 343 HD2 LYS 49 1HD LYS 49 10.255 11.544 -4.825 344 HD3 LYS 49 2HD LYS 49 9.049 12.302 -3.782 345 HE2 LYS 49 1HE LYS 49 9.232 13.158 -6.630 346 HE3 LYS 49 2HE LYS 49 8.475 11.610 -6.257 347 HZ1 LYS 49 3HZ LYS 49 7.015 12.827 -4.686 348 HZ2 LYS 49 1HZ LYS 49 6.795 13.276 -6.302 349 HZ3 LYS 49 2HZ LYS 49 7.663 14.282 -5.255 350 H ALA 50 H ALA 50 12.426 15.069 -0.954 351 HA ALA 50 HA ALA 50 10.601 17.175 -1.094 352 HB1 ALA 50 1HB ALA 50 10.692 16.988 1.115 353 HB2 ALA 50 2HB ALA 50 12.003 15.823 0.924 354 HB3 ALA 50 3HB ALA 50 12.369 17.535 1.136 355 H ALA 51 H ALA 51 14.132 17.377 -0.606 356 HA ALA 51 HA ALA 51 14.401 20.124 -0.681 357 HB1 ALA 51 1HB ALA 51 16.497 18.495 -2.015 358 HB2 ALA 51 2HB ALA 51 16.652 19.778 -0.815 359 HB3 ALA 51 3HB ALA 51 16.137 18.166 -0.320 360 H VAL 52 H VAL 52 14.946 17.927 -3.444 361 HA VAL 52 HA VAL 52 15.298 19.787 -5.428 362 HB VAL 52 HB VAL 52 13.785 17.187 -5.715 363 HG11 VAL 52 1HG1 VAL 52 15.382 17.930 -7.977 364 HG12 VAL 52 2HG1 VAL 52 13.649 17.608 -7.892 365 HG13 VAL 52 3HG1 VAL 52 14.262 19.232 -7.580 366 HG21 VAL 52 3HG2 VAL 52 15.738 16.052 -5.722 367 HG22 VAL 52 1HG2 VAL 52 16.626 17.374 -6.480 368 HG23 VAL 52 2HG2 VAL 52 16.290 17.416 -4.749 369 H LYS 53 H LYS 53 12.182 18.251 -4.607 370 HA LYS 53 HA LYS 53 10.552 19.707 -6.294 371 HB2 LYS 53 1HB LYS 53 10.096 18.389 -3.643 372 HB3 LYS 53 2HB LYS 53 8.807 19.336 -4.375 373 HG2 LYS 53 1HG LYS 53 10.204 17.065 -5.768 374 HG3 LYS 53 2HG LYS 53 8.714 16.885 -4.838 375 HD2 LYS 53 1HD LYS 53 8.804 18.984 -6.941 376 HD3 LYS 53 2HD LYS 53 8.689 17.300 -7.456 377 HE2 LYS 53 1HE LYS 53 6.833 18.618 -5.478 378 HE3 LYS 53 2HE LYS 53 6.487 18.424 -7.196 379 HZ1 LYS 53 3HZ LYS 53 5.560 16.511 -6.549 380 HZ2 LYS 53 1HZ LYS 53 6.370 16.484 -5.064 381 HZ3 LYS 53 2HZ LYS 53 7.143 15.922 -6.459 382 H LYS 54 H LYS 54 11.471 20.484 -2.949 383 HA LYS 54 HA LYS 54 10.008 22.799 -2.597 384 HB2 LYS 54 1HB LYS 54 12.564 21.756 -1.488 385 HB3 LYS 54 2HB LYS 54 12.200 23.455 -1.212 386 HG2 LYS 54 1HG LYS 54 10.075 21.470 -0.627 387 HG3 LYS 54 2HG LYS 54 11.450 21.570 0.475 388 HD2 LYS 54 1HD LYS 54 10.088 23.126 1.440 389 HD3 LYS 54 2HD LYS 54 10.934 24.163 0.290 390 HE2 LYS 54 1HE LYS 54 8.493 24.526 0.292 391 HE3 LYS 54 2HE LYS 54 9.102 23.991 -1.273 392 HZ1 LYS 54 3HZ LYS 54 6.988 22.910 -0.269 393 HZ2 LYS 54 1HZ LYS 54 8.090 21.999 0.636 394 HZ3 LYS 54 2HZ LYS 54 8.130 21.940 -1.053 395 H MET 55 H MET 55 13.332 22.531 -3.859 396 HA MET 55 HA MET 55 13.774 25.222 -4.377 397 HB2 MET 55 1HB MET 55 14.781 22.848 -5.956 398 HB3 MET 55 2HB MET 55 15.460 24.469 -6.003 399 HG2 MET 55 1HG MET 55 15.256 23.110 -3.373 400 HG3 MET 55 2HG MET 55 16.493 22.568 -4.504 401 HE1 MET 55 3HE MET 55 19.187 24.059 -3.673 402 HE2 MET 55 1HE MET 55 18.329 23.419 -5.075 403 HE3 MET 55 2HE MET 55 18.860 25.100 -5.060 404 H ALA 56 H ALA 56 12.201 22.772 -6.380 405 HA ALA 56 HA ALA 56 11.939 24.169 -8.755 406 HB1 ALA 56 1HB ALA 56 11.082 21.751 -7.832 407 HB2 ALA 56 2HB ALA 56 9.561 22.624 -8.029 408 HB3 ALA 56 3HB ALA 56 10.660 22.446 -9.397 409 H LYS 57 H LYS 57 9.342 23.866 -6.325 410 HA LYS 57 HA LYS 57 7.499 25.586 -7.199 411 HB2 LYS 57 1HB LYS 57 8.542 25.468 -4.363 412 HB3 LYS 57 2HB LYS 57 7.018 26.209 -4.835 413 HG2 LYS 57 1HG LYS 57 5.992 24.208 -5.192 414 HG3 LYS 57 2HG LYS 57 7.493 23.389 -5.627 415 HD2 LYS 57 1HD LYS 57 8.181 23.323 -3.317 416 HD3 LYS 57 2HD LYS 57 6.783 24.288 -2.836 417 HE2 LYS 57 1HE LYS 57 5.988 22.211 -2.338 418 HE3 LYS 57 2HE LYS 57 5.476 22.315 -4.022 419 HZ1 LYS 57 3HZ LYS 57 8.016 21.320 -4.145 420 HZ2 LYS 57 1HZ LYS 57 6.587 20.429 -4.312 421 HZ3 LYS 57 2HZ LYS 57 7.347 20.533 -2.805 422 H ALA 58 H ALA 58 10.157 26.734 -5.109 423 HA ALA 58 HA ALA 58 9.772 29.408 -5.163 424 HB1 ALA 58 1HB ALA 58 11.887 29.612 -4.396 425 HB2 ALA 58 2HB ALA 58 11.785 27.853 -4.307 426 HB3 ALA 58 3HB ALA 58 12.568 28.622 -5.688 427 H ILE 59 H ILE 59 11.489 27.574 -7.686 428 HA ILE 59 HA ILE 59 12.133 29.695 -9.361 429 HB ILE 59 HB ILE 59 11.417 26.869 -10.152 430 HG12 ILE 59 1HG1 ILE 59 14.171 28.049 -9.814 431 HG13 ILE 59 2HG1 ILE 59 13.322 27.267 -8.486 432 HG21 ILE 59 1HG2 ILE 59 11.834 27.384 -12.275 433 HG22 ILE 59 2HG2 ILE 59 11.780 29.080 -11.795 434 HG23 ILE 59 3HG2 ILE 59 13.323 28.227 -11.846 435 HD11 ILE 59 3HD1 ILE 59 13.092 25.291 -10.154 436 HD12 ILE 59 1HD1 ILE 59 14.434 26.082 -10.981 437 HD13 ILE 59 2HD1 ILE 59 14.615 25.559 -9.306 438 H MET 60 H MET 60 9.270 27.574 -9.514 439 HA MET 60 HA MET 60 7.957 28.615 -11.660 440 HB2 MET 60 1HB MET 60 6.605 27.909 -9.052 441 HB3 MET 60 2HB MET 60 5.884 27.878 -10.655 442 HG2 MET 60 1HG MET 60 7.874 26.188 -11.105 443 HG3 MET 60 2HG MET 60 7.733 25.959 -9.363 444 HE1 MET 60 3HE MET 60 3.814 25.173 -9.212 445 HE2 MET 60 1HE MET 60 5.255 25.026 -8.206 446 HE3 MET 60 2HE MET 60 4.811 26.591 -8.886 447 H ALA 61 H ALA 61 8.141 29.991 -8.420 448 HA ALA 61 HA ALA 61 6.302 32.118 -8.951 449 HB1 ALA 61 1HB ALA 61 8.306 31.694 -6.742 450 HB2 ALA 61 2HB ALA 61 7.180 33.051 -6.807 451 HB3 ALA 61 3HB ALA 61 6.567 31.401 -6.689 452 H ASP 62 H ASP 62 9.843 32.015 -8.530 453 HA ASP 62 HA ASP 62 10.004 34.466 -10.159 454 HB2 ASP 62 1HB ASP 62 11.661 33.653 -7.768 455 HB3 ASP 62 2HB ASP 62 12.120 34.955 -8.862 456 HA PRO 63 HA PRO 63 12.417 31.983 -12.908 457 HB2 PRO 63 1HB PRO 63 13.387 34.003 -14.441 458 HB3 PRO 63 2HB PRO 63 11.721 33.424 -14.557 459 HG2 PRO 63 1HG PRO 63 12.800 35.811 -13.109 460 HG3 PRO 63 2HG PRO 63 11.338 35.672 -14.103 461 HD2 PRO 63 1HD PRO 63 11.271 35.617 -11.397 462 HD3 PRO 63 2HD PRO 63 10.120 34.710 -12.400 463 H ASN 64 H ASN 64 13.912 34.995 -11.710 464 HA ASN 64 HA ASN 64 16.536 34.589 -12.155 465 HB2 ASN 64 1HB ASN 64 15.279 36.413 -10.737 466 HB3 ASN 64 2HB ASN 64 15.765 35.403 -9.379 467 HD21 ASN 64 1HD2 ASN 64 16.998 37.125 -12.196 468 HD22 ASN 64 2HD2 ASN 64 18.557 37.462 -11.531 469 H LYS 65 H LYS 65 14.651 33.053 -9.586 470 HA LYS 65 HA LYS 65 16.748 31.739 -8.281 471 HB2 LYS 65 1HB LYS 65 13.802 31.367 -8.465 472 HB3 LYS 65 2HB LYS 65 14.746 30.022 -7.838 473 HG2 LYS 65 1HG LYS 65 15.024 32.801 -6.743 474 HG3 LYS 65 2HG LYS 65 13.795 31.676 -6.157 475 HD2 LYS 65 1HD LYS 65 15.465 30.114 -5.453 476 HD3 LYS 65 2HD LYS 65 16.743 31.046 -6.237 477 HE2 LYS 65 1HE LYS 65 16.902 31.565 -3.947 478 HE3 LYS 65 2HE LYS 65 16.101 32.950 -4.686 479 HZ1 LYS 65 3HZ LYS 65 13.971 32.037 -3.954 480 HZ2 LYS 65 1HZ LYS 65 15.003 32.330 -2.646 481 HZ3 LYS 65 2HZ LYS 65 14.769 30.750 -3.202 482 H ALA 66 H ALA 66 14.776 30.771 -11.050 483 HA ALA 66 HA ALA 66 15.382 28.157 -11.402 484 HB1 ALA 66 1HB ALA 66 14.205 30.001 -12.952 485 HB2 ALA 66 2HB ALA 66 15.711 29.783 -13.844 486 HB3 ALA 66 3HB ALA 66 14.664 28.399 -13.531 487 H ASP 67 H ASP 67 17.356 30.723 -12.910 488 HA ASP 67 HA ASP 67 19.450 29.224 -13.806 489 HB2 ASP 67 1HB ASP 67 19.401 32.010 -12.659 490 HB3 ASP 67 2HB ASP 67 20.876 31.304 -13.314 491 H GLU 68 H GLU 68 19.084 30.573 -10.540 492 HA GLU 68 HA GLU 68 21.529 29.676 -9.507 493 HB2 GLU 68 1HB GLU 68 18.919 30.065 -8.031 494 HB3 GLU 68 2HB GLU 68 20.516 29.987 -7.300 495 HG2 GLU 68 1HG GLU 68 19.956 32.040 -9.386 496 HG3 GLU 68 2HG GLU 68 19.375 32.284 -7.740 497 H VAL 69 H VAL 69 18.309 28.256 -8.906 498 HA VAL 69 HA VAL 69 19.092 25.937 -7.662 499 HB VAL 69 HB VAL 69 16.791 26.279 -9.589 500 HG11 VAL 69 1HG1 VAL 69 17.643 24.021 -7.861 501 HG12 VAL 69 2HG1 VAL 69 15.917 24.375 -7.963 502 HG13 VAL 69 3HG1 VAL 69 16.831 24.006 -9.427 503 HG21 VAL 69 3HG2 VAL 69 15.564 27.145 -7.895 504 HG22 VAL 69 1HG2 VAL 69 16.382 26.180 -6.666 505 HG23 VAL 69 2HG2 VAL 69 17.151 27.634 -7.301 506 H TYR 70 H TYR 70 18.324 26.180 -11.141 507 HA TYR 70 HA TYR 70 18.965 23.740 -12.052 508 HB2 TYR 70 1HB TYR 70 19.777 26.370 -13.303 509 HB3 TYR 70 2HB TYR 70 19.816 24.823 -14.142 510 HD1 TYR 70 1HD TYR 70 17.286 23.616 -13.137 511 HD2 TYR 70 2HD TYR 70 18.138 27.564 -14.473 512 HE1 TYR 70 1HE TYR 70 14.929 23.901 -13.778 513 HE2 TYR 70 2HE TYR 70 15.783 27.862 -15.116 514 HH TYR 70 HH TYR 70 13.633 25.348 -15.431 515 H LYS 71 H LYS 71 21.353 26.289 -11.398 516 HA LYS 71 HA LYS 71 23.628 24.799 -12.111 517 HB2 LYS 71 1HB LYS 71 23.123 27.249 -10.487 518 HB3 LYS 71 2HB LYS 71 24.699 26.478 -10.354 519 HG2 LYS 71 1HG LYS 71 25.223 26.882 -12.583 520 HG3 LYS 71 2HG LYS 71 23.536 27.151 -13.029 521 HD2 LYS 71 1HD LYS 71 24.365 29.306 -12.997 522 HD3 LYS 71 2HD LYS 71 23.704 29.152 -11.368 523 HE2 LYS 71 1HE LYS 71 26.072 28.375 -10.718 524 HE3 LYS 71 2HE LYS 71 26.567 29.075 -12.258 525 HZ1 LYS 71 3HZ LYS 71 26.136 30.388 -9.837 526 HZ2 LYS 71 1HZ LYS 71 24.937 30.917 -10.906 527 HZ3 LYS 71 2HZ LYS 71 26.569 31.066 -11.325 528 H LYS 72 H LYS 72 21.985 25.232 -9.004 529 HA LYS 72 HA LYS 72 23.826 23.798 -7.432 530 HB2 LYS 72 1HB LYS 72 20.904 24.440 -7.101 531 HB3 LYS 72 2HB LYS 72 21.775 23.486 -5.908 532 HG2 LYS 72 1HG LYS 72 23.124 25.267 -5.280 533 HG3 LYS 72 2HG LYS 72 22.804 26.160 -6.769 534 HD2 LYS 72 1HD LYS 72 20.535 26.599 -6.064 535 HD3 LYS 72 2HD LYS 72 20.754 25.598 -4.627 536 HE2 LYS 72 1HE LYS 72 22.362 28.075 -5.226 537 HE3 LYS 72 2HE LYS 72 20.917 28.057 -4.216 538 HZ1 LYS 72 3HZ LYS 72 22.158 27.441 -2.508 539 HZ2 LYS 72 1HZ LYS 72 23.546 27.474 -3.475 540 HZ3 LYS 72 2HZ LYS 72 22.653 26.046 -3.327 541 H TRP 73 H TRP 73 20.708 22.752 -8.812 542 HA TRP 73 HA TRP 73 20.642 20.147 -8.017 543 HB2 TRP 73 1HB TRP 73 19.776 21.453 -10.581 544 HB3 TRP 73 2HB TRP 73 19.564 19.721 -10.342 545 HD1 TRP 73 HD TRP 73 18.807 20.107 -7.140 546 HE1 TRP 73 1HE TRP 73 16.414 20.881 -6.595 547 HE3 TRP 73 3HE TRP 73 17.556 22.126 -11.667 548 HZ2 TRP 73 2HZ TRP 73 14.278 22.175 -7.911 549 HZ3 TRP 73 3HZ TRP 73 15.318 23.111 -11.941 550 HH2 TRP 73 HH TRP 73 13.714 23.134 -10.101 551 H ALA 74 H ALA 74 21.913 21.082 -11.219 552 HA ALA 74 HA ALA 74 23.071 18.712 -11.938 553 HB1 ALA 74 1HB ALA 74 24.414 21.343 -12.491 554 HB2 ALA 74 2HB ALA 74 24.363 19.899 -13.505 555 HB3 ALA 74 3HB ALA 74 22.907 20.867 -13.275 556 H ASP 75 H ASP 75 24.551 21.288 -9.992 557 HA ASP 75 HA ASP 75 27.094 20.240 -9.700 558 HB2 ASP 75 1HB ASP 75 25.378 22.045 -8.072 559 HB3 ASP 75 2HB ASP 75 26.811 21.376 -7.296 560 H LYS 76 H LYS 76 24.182 19.550 -7.805 561 HA LYS 76 HA LYS 76 25.350 17.896 -5.876 562 HB2 LYS 76 1HB LYS 76 22.563 17.697 -7.033 563 HB3 LYS 76 2HB LYS 76 23.097 17.022 -5.499 564 HG2 LYS 76 1HG LYS 76 23.312 19.958 -6.033 565 HG3 LYS 76 2HG LYS 76 21.791 19.238 -5.500 566 HD2 LYS 76 1HD LYS 76 23.328 18.147 -3.665 567 HD3 LYS 76 2HD LYS 76 24.380 19.512 -4.047 568 HE2 LYS 76 1HE LYS 76 22.838 21.072 -3.309 569 HE3 LYS 76 2HE LYS 76 21.476 19.972 -3.510 570 HZ1 LYS 76 3HZ LYS 76 22.056 20.357 -1.171 571 HZ2 LYS 76 1HZ LYS 76 23.586 19.687 -1.440 572 HZ3 LYS 76 2HZ LYS 76 22.202 18.728 -1.603 573 H GLY 77 H GLY 77 23.836 17.050 -8.986 574 HA2 GLY 77 1HA GLY 77 25.168 15.330 -10.253 575 HA3 GLY 77 2HA GLY 77 25.118 14.397 -8.764 576 H TYR 78 H TYR 78 22.656 16.215 -10.590 577 HA TYR 78 HA TYR 78 20.973 13.801 -10.509 578 HB2 TYR 78 1HB TYR 78 20.054 16.656 -10.883 579 HB3 TYR 78 2HB TYR 78 19.044 15.242 -10.601 580 HD1 TYR 78 1HD TYR 78 20.340 13.898 -8.383 581 HD2 TYR 78 2HD TYR 78 19.800 18.064 -9.062 582 HE1 TYR 78 1HE TYR 78 20.448 14.301 -5.959 583 HE2 TYR 78 2HE TYR 78 19.907 18.478 -6.640 584 HH TYR 78 HH TYR 78 19.483 17.165 -4.528 585 H THR 79 H THR 79 19.233 13.955 -12.368 586 HA THR 79 HA THR 79 20.203 15.022 -14.858 587 HB THR 79 HB THR 79 21.574 12.984 -14.689 588 HG1 THR 79 1HG THR 79 21.251 12.568 -16.767 589 HG21 THR 79 3HG2 THR 79 20.735 11.118 -13.811 590 HG22 THR 79 1HG2 THR 79 19.637 10.978 -15.183 591 HG23 THR 79 2HG2 THR 79 19.133 11.852 -13.737 592 H LEU 80 H LEU 80 18.701 14.693 -16.622 593 HA LEU 80 HA LEU 80 16.130 15.253 -16.204 594 HB2 LEU 80 1HB LEU 80 16.971 13.249 -18.289 595 HB3 LEU 80 2HB LEU 80 15.567 14.313 -18.345 596 HG LEU 80 HG LEU 80 18.438 15.240 -18.429 597 HD11 LEU 80 1HD1 LEU 80 17.425 15.874 -20.835 598 HD12 LEU 80 2HD1 LEU 80 16.555 14.371 -20.525 599 HD13 LEU 80 3HD1 LEU 80 18.318 14.387 -20.513 600 HD21 LEU 80 3HD2 LEU 80 17.297 17.351 -19.250 601 HD22 LEU 80 1HD2 LEU 80 17.122 16.978 -17.535 602 HD23 LEU 80 2HD2 LEU 80 15.792 16.652 -18.648 603 H THR 81 H THR 81 17.282 11.892 -16.507 604 HA THR 81 HA THR 81 14.940 10.539 -16.064 605 HB THR 81 HB THR 81 17.666 9.779 -14.998 606 HG1 THR 81 1HG THR 81 17.856 9.899 -17.178 607 HG21 THR 81 3HG2 THR 81 15.056 8.369 -15.101 608 HG22 THR 81 1HG2 THR 81 16.367 8.237 -13.930 609 HG23 THR 81 2HG2 THR 81 16.498 7.434 -15.495 610 H GLN 82 H GLN 82 17.258 11.548 -13.547 611 HA GLN 82 HA GLN 82 15.553 10.765 -11.402 612 HB2 GLN 82 1HB GLN 82 18.044 12.455 -11.540 613 HB3 GLN 82 2HB GLN 82 17.191 12.162 -10.031 614 HG2 GLN 82 1HG GLN 82 17.527 9.760 -10.303 615 HG3 GLN 82 2HG GLN 82 18.381 10.052 -11.818 616 HE21 GLN 82 1HE2 GLN 82 20.192 11.762 -11.528 617 HE22 GLN 82 2HE2 GLN 82 21.238 11.492 -10.180 618 H MET 83 H MET 83 16.665 14.013 -12.385 619 HA MET 83 HA MET 83 15.200 15.640 -10.854 620 HB2 MET 83 1HB MET 83 16.663 16.422 -12.673 621 HB3 MET 83 2HB MET 83 15.450 15.943 -13.852 622 HG2 MET 83 1HG MET 83 15.430 18.349 -13.423 623 HG3 MET 83 2HG MET 83 13.905 17.581 -12.987 624 HE1 MET 83 3HE MET 83 17.377 18.151 -11.649 625 HE2 MET 83 1HE MET 83 16.920 19.836 -11.399 626 HE3 MET 83 2HE MET 83 17.171 18.776 -10.012 627 H SER 84 H SER 84 13.894 14.561 -13.997 628 HA SER 84 HA SER 84 11.316 15.442 -13.711 629 HB2 SER 84 1HB SER 84 12.537 14.129 -15.658 630 HB3 SER 84 2HB SER 84 11.725 12.743 -14.931 631 HG SER 84 HG SER 84 10.659 14.936 -16.272 632 H ASN 85 H ASN 85 12.446 12.156 -12.897 633 HA ASN 85 HA ASN 85 10.194 11.056 -11.865 634 HB2 ASN 85 1HB ASN 85 13.076 10.800 -11.119 635 HB3 ASN 85 2HB ASN 85 11.872 10.014 -10.103 636 HD21 ASN 85 1HD2 ASN 85 13.555 8.359 -11.186 637 HD22 ASN 85 2HD2 ASN 85 12.883 7.513 -12.535 638 H PHE 86 H PHE 86 12.211 13.494 -10.356 639 HA PHE 86 HA PHE 86 10.851 13.366 -7.823 640 HB2 PHE 86 1HB PHE 86 12.768 15.423 -8.939 641 HB3 PHE 86 2HB PHE 86 12.191 15.378 -7.276 642 HD1 PHE 86 1HD PHE 86 12.316 12.496 -6.699 643 HD2 PHE 86 2HD PHE 86 15.044 15.017 -8.777 644 HE1 PHE 86 1HE PHE 86 14.163 10.986 -6.099 645 HE2 PHE 86 2HE PHE 86 16.895 13.510 -8.182 646 HZ PHE 86 HZ PHE 86 16.456 11.491 -6.842 647 H LEU 87 H LEU 87 10.852 15.552 -10.612 648 HA LEU 87 HA LEU 87 8.688 17.117 -9.450 649 HB2 LEU 87 1HB LEU 87 10.009 17.454 -12.135 650 HB3 LEU 87 2HB LEU 87 8.995 18.622 -11.290 651 HG LEU 87 HG LEU 87 11.688 17.706 -10.291 652 HD11 LEU 87 1HD1 LEU 87 11.904 18.847 -12.452 653 HD12 LEU 87 2HD1 LEU 87 12.567 19.805 -11.129 654 HD13 LEU 87 3HD1 LEU 87 10.994 20.216 -11.812 655 HD21 LEU 87 3HD2 LEU 87 10.228 20.216 -9.551 656 HD22 LEU 87 1HD2 LEU 87 11.514 19.375 -8.683 657 HD23 LEU 87 2HD2 LEU 87 9.888 18.692 -8.730 658 H LYS 88 H LYS 88 8.173 14.367 -10.144 659 HA LYS 88 HA LYS 88 6.587 14.437 -12.571 660 HB2 LYS 88 1HB LYS 88 6.148 12.081 -12.116 661 HB3 LYS 88 2HB LYS 88 7.870 12.420 -12.005 662 HG2 LYS 88 1HG LYS 88 7.596 12.568 -9.524 663 HG3 LYS 88 2HG LYS 88 5.939 11.998 -9.738 664 HD2 LYS 88 1HD LYS 88 8.200 10.454 -10.935 665 HD3 LYS 88 2HD LYS 88 7.857 10.302 -9.210 666 HE2 LYS 88 1HE LYS 88 5.781 9.922 -11.359 667 HE3 LYS 88 2HE LYS 88 6.742 8.602 -10.694 668 HZ1 LYS 88 3HZ LYS 88 4.415 9.786 -9.641 669 HZ2 LYS 88 1HZ LYS 88 5.685 10.014 -8.546 670 HZ3 LYS 88 2HZ LYS 88 5.280 8.454 -9.057 671 H SER 89 H SER 89 5.702 16.296 -10.701 672 HA SER 89 HA SER 89 3.620 15.375 -9.041 673 HB2 SER 89 1HB SER 89 4.832 17.724 -9.225 674 HB3 SER 89 2HB SER 89 3.465 18.091 -10.278 675 HG SER 89 HG SER 89 2.230 18.202 -8.587 676 H LYS 90 H LYS 90 2.699 13.806 -10.601 677 HA LYS 90 HA LYS 90 1.495 14.119 -12.953 678 HB2 LYS 90 1HB LYS 90 0.612 12.701 -10.486 679 HB3 LYS 90 2HB LYS 90 -0.532 12.817 -11.817 680 HG2 LYS 90 1HG LYS 90 2.259 11.793 -12.212 681 HG3 LYS 90 2HG LYS 90 0.934 10.743 -11.704 682 HD2 LYS 90 1HD LYS 90 -0.255 11.105 -13.707 683 HD3 LYS 90 2HD LYS 90 0.748 12.490 -14.145 684 HE2 LYS 90 1HE LYS 90 2.683 10.944 -14.357 685 HE3 LYS 90 2HE LYS 90 1.589 9.594 -14.061 686 HZ1 LYS 90 3HZ LYS 90 2.156 10.300 -16.476 687 HZ2 LYS 90 1HZ LYS 90 0.982 11.491 -16.222 688 HZ3 LYS 90 2HZ LYS 90 0.571 9.857 -16.084 689 H THR 91 H THR 91 0.756 16.105 -13.557 690 HA THR 91 HA THR 91 -1.882 16.837 -12.656 691 HB THR 91 HB THR 91 0.325 18.877 -12.343 692 HG1 THR 91 1HG THR 91 -0.898 17.120 -10.506 693 HG21 THR 91 3HG2 THR 91 -1.442 20.175 -11.200 694 HG22 THR 91 1HG2 THR 91 -2.607 18.918 -11.617 695 HG23 THR 91 2HG2 THR 91 -1.827 19.856 -12.891 696 H ALA 92 H ALA 92 -2.811 18.595 -13.950 697 HA ALA 92 HA ALA 92 -1.969 18.374 -16.700 698 HB1 ALA 92 1HB ALA 92 -4.395 18.875 -15.369 699 HB2 ALA 92 2HB ALA 92 -4.050 20.304 -16.343 700 HB3 ALA 92 3HB ALA 92 -4.123 18.715 -17.104 701 H GLY 93 H GLY 93 -0.025 19.655 -15.132 702 HA2 GLY 93 1HA GLY 93 1.308 21.456 -16.187 703 HA3 GLY 93 2HA GLY 93 -0.168 22.409 -16.195 704 H LYS 94 H LYS 94 2.468 21.208 -14.276 705 HA LYS 94 HA LYS 94 1.737 23.125 -12.173 706 HB2 LYS 94 1HB LYS 94 1.316 20.578 -11.680 707 HB3 LYS 94 2HB LYS 94 3.057 20.542 -11.434 708 HG2 LYS 94 1HG LYS 94 2.808 22.348 -9.756 709 HG3 LYS 94 2HG LYS 94 1.057 22.232 -9.947 710 HD2 LYS 94 1HD LYS 94 1.178 19.856 -9.272 711 HD3 LYS 94 2HD LYS 94 2.912 20.046 -9.002 712 HE2 LYS 94 1HE LYS 94 2.052 20.339 -6.877 713 HE3 LYS 94 2HE LYS 94 2.194 22.000 -7.451 714 HZ1 LYS 94 3HZ LYS 94 0.072 22.119 -6.773 715 HZ2 LYS 94 1HZ LYS 94 -0.177 20.447 -6.849 716 HZ3 LYS 94 2HZ LYS 94 -0.274 21.382 -8.256 717 H TYR 95 H TYR 95 4.409 20.835 -12.736 718 HA TYR 95 HA TYR 95 6.279 23.080 -12.408 719 HB2 TYR 95 1HB TYR 95 6.767 20.111 -12.097 720 HB3 TYR 95 2HB TYR 95 7.961 21.377 -11.834 721 HD1 TYR 95 1HD TYR 95 7.527 23.064 -9.978 722 HD2 TYR 95 2HD TYR 95 5.329 19.441 -10.368 723 HE1 TYR 95 1HE TYR 95 6.826 23.243 -7.627 724 HE2 TYR 95 2HE TYR 95 4.621 19.611 -8.019 725 HH TYR 95 HH TYR 95 6.059 21.496 -5.797 726 H ASP 96 H ASP 96 5.033 22.811 -14.875 727 HA ASP 96 HA ASP 96 6.612 21.306 -16.712 728 HB2 ASP 96 1HB ASP 96 4.494 23.414 -16.979 729 HB3 ASP 96 2HB ASP 96 5.426 22.918 -18.389 730 H ARG 97 H ARG 97 6.466 24.744 -15.836 731 HA ARG 97 HA ARG 97 8.441 25.621 -17.640 732 HB2 ARG 97 1HB ARG 97 7.287 26.731 -15.104 733 HB3 ARG 97 2HB ARG 97 8.660 27.521 -15.867 734 HG2 ARG 97 1HG ARG 97 7.418 27.970 -17.837 735 HG3 ARG 97 2HG ARG 97 6.092 26.931 -17.311 736 HD2 ARG 97 1HD ARG 97 5.360 29.129 -16.903 737 HD3 ARG 97 2HD ARG 97 5.846 28.499 -15.330 738 HE ARG 97 HE ARG 97 7.939 29.923 -16.682 739 HH11 ARG 97 2HH1 ARG 97 5.145 30.232 -14.628 740 HH12 ARG 97 1HH1 ARG 97 5.660 31.734 -13.934 741 HH21 ARG 97 2HH2 ARG 97 8.628 31.899 -15.774 742 HH22 ARG 97 1HH2 ARG 97 7.640 32.681 -14.587 743 H VAL 98 H VAL 98 8.622 24.453 -14.312 744 HA VAL 98 HA VAL 98 11.281 25.063 -13.756 745 HB VAL 98 HB VAL 98 9.742 22.634 -12.829 746 HG11 VAL 98 1HG1 VAL 98 11.354 22.242 -11.266 747 HG12 VAL 98 2HG1 VAL 98 12.363 22.920 -12.545 748 HG13 VAL 98 3HG1 VAL 98 11.853 23.931 -11.193 749 HG21 VAL 98 3HG2 VAL 98 10.002 24.808 -10.936 750 HG22 VAL 98 1HG2 VAL 98 9.162 25.316 -12.401 751 HG23 VAL 98 2HG2 VAL 98 8.559 23.946 -11.469 752 H TYR 99 H TYR 99 9.996 21.934 -14.899 753 HA TYR 99 HA TYR 99 12.427 20.669 -15.317 754 HB2 TYR 99 1HB TYR 99 10.188 19.571 -15.386 755 HB3 TYR 99 2HB TYR 99 9.922 20.292 -16.969 756 HD1 TYR 99 1HD TYR 99 12.231 18.027 -15.126 757 HD2 TYR 99 2HD TYR 99 10.636 19.186 -18.897 758 HE1 TYR 99 1HE TYR 99 13.344 16.104 -16.181 759 HE2 TYR 99 2HE TYR 99 11.743 17.265 -19.962 760 HH TYR 99 HH TYR 99 13.207 14.741 -18.134 761 H ASN 100 H ASN 100 10.429 22.344 -17.752 762 HA ASN 100 HA ASN 100 11.830 22.139 -20.009 763 HB2 ASN 100 1HB ASN 100 9.838 23.617 -19.657 764 HB3 ASN 100 2HB ASN 100 10.916 24.829 -18.972 765 HD21 ASN 100 1HD2 ASN 100 9.241 24.243 -21.594 766 HD22 ASN 100 2HD2 ASN 100 10.273 24.895 -22.817 767 H GLY 101 H GLY 101 12.565 24.846 -17.797 768 HA2 GLY 101 1HA GLY 101 14.885 25.743 -18.913 769 HA3 GLY 101 2HA GLY 101 14.591 25.758 -17.181 770 H TYR 102 H TYR 102 14.971 23.548 -16.109 771 HA TYR 102 HA TYR 102 17.562 22.893 -16.000 772 HB2 TYR 102 1HB TYR 102 15.675 21.915 -14.621 773 HB3 TYR 102 2HB TYR 102 15.445 20.742 -15.912 774 HD1 TYR 102 1HD TYR 102 18.415 22.126 -14.100 775 HD2 TYR 102 2HD TYR 102 16.286 18.670 -15.376 776 HE1 TYR 102 1HE TYR 102 20.150 20.696 -13.102 777 HE2 TYR 102 2HE TYR 102 18.013 17.231 -14.379 778 HH TYR 102 HH TYR 102 20.970 18.572 -13.033 779 H VAL 103 H VAL 103 15.277 21.116 -18.086 780 HA VAL 103 HA VAL 103 16.855 19.356 -19.360 781 HB VAL 103 HB VAL 103 14.849 21.156 -20.725 782 HG11 VAL 103 1HG1 VAL 103 14.724 18.935 -22.167 783 HG12 VAL 103 2HG1 VAL 103 15.861 20.230 -22.547 784 HG13 VAL 103 3HG1 VAL 103 16.408 18.807 -21.659 785 HG21 VAL 103 3HG2 VAL 103 14.324 18.338 -19.893 786 HG22 VAL 103 1HG2 VAL 103 14.231 19.629 -18.695 787 HG23 VAL 103 2HG2 VAL 103 13.193 19.673 -20.120 788 H ILE 104 H ILE 104 16.433 22.683 -20.584 789 HA ILE 104 HA ILE 104 18.519 22.497 -22.481 790 HB ILE 104 HB ILE 104 17.251 24.934 -21.226 791 HG12 ILE 104 1HG1 ILE 104 16.342 24.932 -23.732 792 HG13 ILE 104 2HG1 ILE 104 16.630 23.203 -23.573 793 HG21 ILE 104 1HG2 ILE 104 18.226 26.223 -23.023 794 HG22 ILE 104 2HG2 ILE 104 19.500 25.400 -22.125 795 HG23 ILE 104 3HG2 ILE 104 18.981 24.776 -23.690 796 HD11 ILE 104 3HD1 ILE 104 14.305 24.084 -23.023 797 HD12 ILE 104 1HD1 ILE 104 15.057 22.983 -21.868 798 HD13 ILE 104 2HD1 ILE 104 15.030 24.717 -21.546 799 H HIS 105 H HIS 105 18.387 23.882 -19.216 800 HA HIS 105 HA HIS 105 20.791 25.099 -18.961 801 HB2 HIS 105 1HB HIS 105 19.320 25.042 -17.084 802 HB3 HIS 105 2HB HIS 105 19.389 23.284 -16.998 803 HD1 HIS 105 1HD HIS 105 21.639 26.290 -16.462 804 HD2 HIS 105 2HD HIS 105 21.297 22.311 -15.317 805 HE1 HIS 105 1HE HIS 105 23.416 25.937 -14.718 806 HE2 HIS 105 2HE HIS 105 23.246 23.501 -14.102 807 H LEU 106 H LEU 106 20.224 21.609 -18.888 808 HA LEU 106 HA LEU 106 22.994 20.991 -18.423 809 HB2 LEU 106 1HB LEU 106 20.518 19.412 -18.955 810 HB3 LEU 106 2HB LEU 106 22.092 18.639 -19.131 811 HG LEU 106 HG LEU 106 20.984 19.885 -16.615 812 HD11 LEU 106 1HD1 LEU 106 20.600 17.337 -17.764 813 HD12 LEU 106 2HD1 LEU 106 20.116 17.898 -16.164 814 HD13 LEU 106 3HD1 LEU 106 21.688 17.131 -16.391 815 HD21 LEU 106 3HD2 LEU 106 23.688 19.033 -17.404 816 HD22 LEU 106 1HD2 LEU 106 23.127 18.434 -15.843 817 HD23 LEU 106 2HD2 LEU 106 23.170 20.169 -16.157 818 H ASP 107 H ASP 107 20.833 21.151 -21.188 819 HA ASP 107 HA ASP 107 22.105 19.829 -23.164 820 HB2 ASP 107 1HB ASP 107 20.069 21.443 -23.264 821 HB3 ASP 107 2HB ASP 107 21.266 22.668 -23.677 822 H TYR 108 H TYR 108 23.231 22.734 -21.587 823 HA TYR 108 HA TYR 108 25.098 23.741 -23.298 824 HB2 TYR 108 1HB TYR 108 26.068 24.782 -21.478 825 HB3 TYR 108 2HB TYR 108 24.493 24.360 -20.817 826 HD1 TYR 108 1HD TYR 108 24.347 22.121 -19.518 827 HD2 TYR 108 2HD TYR 108 28.004 24.123 -20.368 828 HE1 TYR 108 1HE TYR 108 25.439 20.890 -17.690 829 HE2 TYR 108 2HE TYR 108 29.106 22.897 -18.543 830 HH TYR 108 HH TYR 108 27.336 20.501 -16.607 Start of MODEL 3 1 H1 GLY 1 H GLY 1 40.977 -33.589 14.446 2 HA2 GLY 1 1HA GLY 1 39.050 -33.522 12.274 3 HA3 GLY 1 2HA GLY 1 38.518 -34.367 13.720 4 H SER 2 H SER 2 36.854 -32.858 14.057 5 HA SER 2 HA SER 2 37.800 -30.313 15.189 6 HB2 SER 2 1HB SER 2 35.769 -29.206 14.283 7 HB3 SER 2 2HB SER 2 36.832 -29.806 13.011 8 HG SER 2 HG SER 2 34.665 -30.350 12.591 9 H SER 3 H SER 3 37.498 -30.602 17.308 10 HA SER 3 HA SER 3 35.673 -32.287 18.542 11 HB2 SER 3 1HB SER 3 37.272 -29.931 19.420 12 HB3 SER 3 2HB SER 3 35.976 -30.480 20.483 13 HG SER 3 HG SER 3 38.276 -31.866 19.626 14 H GLY 4 H GLY 4 35.406 -28.729 18.344 15 HA2 GLY 4 1HA GLY 4 33.406 -27.634 17.600 16 HA3 GLY 4 2HA GLY 4 32.492 -29.052 18.090 17 H SER 5 H SER 5 31.169 -27.272 19.078 18 HA SER 5 HA SER 5 31.564 -27.243 21.875 19 HB2 SER 5 1HB SER 5 33.275 -25.535 21.183 20 HB3 SER 5 2HB SER 5 31.955 -24.550 20.552 21 HG SER 5 HG SER 5 32.760 -24.229 22.841 22 H SER 6 H SER 6 29.971 -25.613 22.928 23 HA SER 6 HA SER 6 27.776 -24.646 21.439 24 HB2 SER 6 1HB SER 6 26.066 -26.290 22.232 25 HB3 SER 6 2HB SER 6 27.215 -26.971 21.081 26 HG SER 6 HG SER 6 27.733 -27.166 23.833 27 H GLY 7 H GLY 7 25.787 -24.375 23.047 28 HA2 GLY 7 1HA GLY 7 26.854 -23.699 25.713 29 HA3 GLY 7 2HA GLY 7 25.933 -22.520 24.791 30 H ASN 8 H ASN 8 24.517 -22.478 26.664 31 HA ASN 8 HA ASN 8 22.192 -24.018 26.276 32 HB2 ASN 8 1HB ASN 8 22.181 -25.325 28.356 33 HB3 ASN 8 2HB ASN 8 23.514 -25.807 27.311 34 HD21 ASN 8 1HD2 ASN 8 24.746 -26.633 28.960 35 HD22 ASN 8 2HD2 ASN 8 25.499 -25.640 30.158 36 H VAL 9 H VAL 9 20.453 -23.343 27.600 37 HA VAL 9 HA VAL 9 20.714 -21.631 29.822 38 HB VAL 9 HB VAL 9 21.554 -20.052 28.106 39 HG11 VAL 9 1HG1 VAL 9 19.611 -21.124 26.498 40 HG12 VAL 9 2HG1 VAL 9 18.930 -19.553 26.928 41 HG13 VAL 9 3HG1 VAL 9 20.518 -19.648 26.165 42 HG21 VAL 9 3HG2 VAL 9 20.451 -19.214 30.111 43 HG22 VAL 9 1HG2 VAL 9 20.096 -18.182 28.726 44 HG23 VAL 9 2HG2 VAL 9 18.884 -19.322 29.309 45 H ASP 10 H ASP 10 18.690 -20.950 30.666 46 HA ASP 10 HA ASP 10 16.229 -21.286 29.335 47 HB2 ASP 10 1HB ASP 10 17.149 -23.717 29.768 48 HB3 ASP 10 2HB ASP 10 16.559 -23.425 31.402 49 H SER 11 H SER 11 14.385 -21.503 31.102 50 HA SER 11 HA SER 11 15.108 -20.246 33.619 51 HB2 SER 11 1HB SER 11 13.411 -18.412 33.255 52 HB3 SER 11 2HB SER 11 14.866 -18.278 32.268 53 HG SER 11 HG SER 11 13.324 -18.031 30.796 54 H ASN 12 H ASN 12 12.957 -19.758 34.870 55 HA ASN 12 HA ASN 12 10.840 -21.651 34.250 56 HB2 ASN 12 1HB ASN 12 12.109 -23.155 35.511 57 HB3 ASN 12 2HB ASN 12 12.678 -21.902 36.610 58 HD21 ASN 12 1HD2 ASN 12 11.749 -21.808 38.521 59 HD22 ASN 12 2HD2 ASN 12 10.214 -22.482 38.938 60 H GLN 13 H GLN 13 8.956 -21.388 35.658 61 HA GLN 13 HA GLN 13 8.847 -18.706 36.872 62 HB2 GLN 13 1HB GLN 13 6.571 -18.471 36.091 63 HB3 GLN 13 2HB GLN 13 7.615 -18.840 34.725 64 HG2 GLN 13 1HG GLN 13 6.725 -20.925 34.424 65 HG3 GLN 13 2HG GLN 13 6.234 -21.078 36.110 66 HE21 GLN 13 1HE2 GLN 13 4.724 -21.504 33.632 67 HE22 GLN 13 2HE2 GLN 13 3.344 -20.470 33.739 68 H ASN 14 H ASN 14 6.697 -18.577 38.255 69 HA ASN 14 HA ASN 14 6.876 -20.799 40.155 70 HB2 ASN 14 1HB ASN 14 6.018 -17.931 40.377 71 HB3 ASN 14 2HB ASN 14 5.503 -19.103 41.586 72 HD21 ASN 14 1HD2 ASN 14 7.272 -16.774 41.802 73 HD22 ASN 14 2HD2 ASN 14 8.763 -17.376 42.435 74 H LYS 15 H LYS 15 4.641 -20.957 41.449 75 HA LYS 15 HA LYS 15 2.519 -21.302 39.433 76 HB2 LYS 15 1HB LYS 15 1.778 -23.292 40.663 77 HB3 LYS 15 2HB LYS 15 3.432 -23.469 40.092 78 HG2 LYS 15 1HG LYS 15 3.683 -24.252 42.206 79 HG3 LYS 15 2HG LYS 15 3.983 -22.538 42.504 80 HD2 LYS 15 1HD LYS 15 1.459 -22.381 42.953 81 HD3 LYS 15 2HD LYS 15 1.507 -24.142 43.066 82 HE2 LYS 15 1HE LYS 15 3.378 -22.414 44.653 83 HE3 LYS 15 2HE LYS 15 1.753 -22.778 45.229 84 HZ1 LYS 15 3HZ LYS 15 3.802 -24.286 45.836 85 HZ2 LYS 15 1HZ LYS 15 3.420 -25.016 44.358 86 HZ3 LYS 15 2HZ LYS 15 2.264 -24.946 45.591 87 H ALA 16 H ALA 16 0.319 -21.655 40.624 88 HA ALA 16 HA ALA 16 -0.006 -19.362 42.406 89 HB1 ALA 16 1HB ALA 16 -2.501 -20.567 41.778 90 HB2 ALA 16 2HB ALA 16 -1.861 -19.014 41.242 91 HB3 ALA 16 3HB ALA 16 -1.545 -20.470 40.299 92 H SER 17 H SER 17 -0.841 -19.486 44.450 93 HA SER 17 HA SER 17 -0.794 -22.131 45.679 94 HB2 SER 17 1HB SER 17 -0.699 -19.324 46.759 95 HB3 SER 17 2HB SER 17 -1.027 -20.695 47.819 96 HG SER 17 HG SER 17 0.992 -21.563 46.694 97 H MET 18 H MET 18 -2.670 -23.192 45.534 98 HA MET 18 HA MET 18 -5.177 -22.370 45.050 99 HB2 MET 18 1HB MET 18 -4.692 -24.710 45.314 100 HB3 MET 18 2HB MET 18 -4.326 -24.494 47.020 101 HG2 MET 18 1HG MET 18 -6.466 -25.486 46.884 102 HG3 MET 18 2HG MET 18 -6.703 -23.805 47.356 103 HE1 MET 18 3HE MET 18 -7.605 -25.802 43.374 104 HE2 MET 18 1HE MET 18 -6.120 -24.850 43.328 105 HE3 MET 18 2HE MET 18 -6.291 -26.161 44.496 106 H LEU 19 H LEU 19 -3.677 -22.380 48.267 107 HA LEU 19 HA LEU 19 -5.969 -21.280 49.569 108 HB2 LEU 19 1HB LEU 19 -4.273 -22.661 50.715 109 HB3 LEU 19 2HB LEU 19 -3.101 -21.363 50.494 110 HG LEU 19 HG LEU 19 -4.932 -19.980 51.819 111 HD11 LEU 19 1HD1 LEU 19 -6.232 -22.319 51.831 112 HD12 LEU 19 2HD1 LEU 19 -6.371 -21.130 53.126 113 HD13 LEU 19 3HD1 LEU 19 -5.283 -22.507 53.306 114 HD21 LEU 19 3HD2 LEU 19 -3.734 -20.760 53.943 115 HD22 LEU 19 1HD2 LEU 19 -2.748 -20.077 52.650 116 HD23 LEU 19 2HD2 LEU 19 -2.814 -21.825 52.879 117 H GLN 20 H GLN 20 -6.154 -19.186 50.510 118 HA GLN 20 HA GLN 20 -4.543 -17.127 49.149 119 HB2 GLN 20 1HB GLN 20 -6.501 -15.692 49.095 120 HB3 GLN 20 2HB GLN 20 -6.856 -17.217 48.296 121 HG2 GLN 20 1HG GLN 20 -8.743 -16.994 49.531 122 HG3 GLN 20 2HG GLN 20 -7.743 -17.866 50.692 123 HE21 GLN 20 1HE2 GLN 20 -9.210 -16.945 52.268 124 HE22 GLN 20 2HE2 GLN 20 -8.928 -15.345 52.853 125 H ALA 21 H ALA 21 -3.275 -16.105 50.537 126 HA ALA 21 HA ALA 21 -4.348 -15.041 52.998 127 HB1 ALA 21 1HB ALA 21 -1.978 -16.241 53.891 128 HB2 ALA 21 2HB ALA 21 -3.631 -16.644 54.356 129 HB3 ALA 21 3HB ALA 21 -2.860 -17.496 53.018 130 H ARG 22 H ARG 22 -3.649 -13.017 53.027 131 HA ARG 22 HA ARG 22 -0.861 -12.469 52.274 132 HB2 ARG 22 1HB ARG 22 -3.348 -11.125 51.265 133 HB3 ARG 22 2HB ARG 22 -1.830 -10.241 51.346 134 HG2 ARG 22 1HG ARG 22 -1.946 -12.889 49.970 135 HG3 ARG 22 2HG ARG 22 -2.512 -11.432 49.151 136 HD2 ARG 22 1HD ARG 22 -0.414 -10.496 49.077 137 HD3 ARG 22 2HD ARG 22 0.150 -11.391 50.488 138 HE ARG 22 HE ARG 22 -0.357 -13.205 48.412 139 HH11 ARG 22 2HH1 ARG 22 1.856 -10.649 49.243 140 HH12 ARG 22 1HH1 ARG 22 3.167 -11.308 48.322 141 HH21 ARG 22 2HH2 ARG 22 1.362 -14.083 47.196 142 HH22 ARG 22 1HH2 ARG 22 2.885 -13.261 47.158 143 H LEU 23 H LEU 23 -0.185 -12.188 54.371 144 HA LEU 23 HA LEU 23 -1.584 -10.746 56.346 145 HB2 LEU 23 1HB LEU 23 1.291 -11.541 56.025 146 HB3 LEU 23 2HB LEU 23 0.745 -10.593 57.406 147 HG LEU 23 HG LEU 23 0.936 -12.951 57.976 148 HD11 LEU 23 1HD1 LEU 23 -0.797 -12.742 59.349 149 HD12 LEU 23 2HD1 LEU 23 -1.950 -12.868 58.021 150 HD13 LEU 23 3HD1 LEU 23 -1.254 -11.302 58.439 151 HD21 LEU 23 3HD2 LEU 23 -1.120 -13.383 55.811 152 HD22 LEU 23 1HD2 LEU 23 -0.556 -14.604 56.952 153 HD23 LEU 23 2HD2 LEU 23 0.562 -13.914 55.775 154 H ASN 24 H ASN 24 1.194 -9.799 54.323 155 HA ASN 24 HA ASN 24 0.794 -7.012 55.103 156 HB2 ASN 24 1HB ASN 24 3.088 -8.118 55.069 157 HB3 ASN 24 2HB ASN 24 2.967 -8.100 53.312 158 HD21 ASN 24 1HD2 ASN 24 2.597 -5.930 56.093 159 HD22 ASN 24 2HD2 ASN 24 3.339 -4.563 55.341 160 H ASP 25 H ASP 25 1.221 -5.407 53.220 161 HA ASP 25 HA ASP 25 -0.572 -6.176 51.018 162 HB2 ASP 25 1HB ASP 25 0.009 -3.553 52.362 163 HB3 ASP 25 2HB ASP 25 -0.656 -3.590 50.732 164 H GLU 26 H GLU 26 -0.110 -5.263 48.886 165 HA GLU 26 HA GLU 26 2.777 -5.267 48.373 166 HB2 GLU 26 1HB GLU 26 0.981 -6.820 47.216 167 HB3 GLU 26 2HB GLU 26 0.749 -5.415 46.185 168 HG2 GLU 26 1HG GLU 26 2.318 -6.585 45.003 169 HG3 GLU 26 2HG GLU 26 3.338 -5.501 45.948 170 H ALA 27 H ALA 27 3.617 -3.283 48.362 171 HA ALA 27 HA ALA 27 2.246 -0.893 47.941 172 HB1 ALA 27 1HB ALA 27 4.425 -1.019 49.043 173 HB2 ALA 27 2HB ALA 27 5.180 -1.438 47.505 174 HB3 ALA 27 3HB ALA 27 4.439 0.147 47.719 175 H GLY 28 H GLY 28 4.533 -2.460 45.682 176 HA2 GLY 28 1HA GLY 28 4.557 -2.532 43.384 177 HA3 GLY 28 2HA GLY 28 2.853 -2.100 43.424 178 H GLY 29 H GLY 29 2.474 -0.358 42.236 179 HA2 GLY 29 1HA GLY 29 2.706 1.718 41.285 180 HA3 GLY 29 2HA GLY 29 3.549 2.162 42.761 181 H THR 30 H THR 30 4.424 -0.152 40.212 182 HA THR 30 HA THR 30 6.835 1.467 39.703 183 HB THR 30 HB THR 30 6.664 -1.553 39.689 184 HG1 THR 30 1HG THR 30 8.296 -0.048 41.423 185 HG21 THR 30 3HG2 THR 30 8.241 -0.616 38.030 186 HG22 THR 30 1HG2 THR 30 9.061 -1.505 39.313 187 HG23 THR 30 2HG2 THR 30 9.054 0.258 39.328 188 H ARG 31 H ARG 31 6.133 2.456 37.848 189 HA ARG 31 HA ARG 31 5.424 0.682 35.604 190 HB2 ARG 31 1HB ARG 31 3.649 2.298 36.349 191 HB3 ARG 31 2HB ARG 31 4.726 3.607 35.883 192 HG2 ARG 31 1HG ARG 31 4.655 2.936 33.588 193 HG3 ARG 31 2HG ARG 31 3.757 1.473 33.997 194 HD2 ARG 31 1HD ARG 31 1.799 2.621 34.379 195 HD3 ARG 31 2HD ARG 31 2.633 4.126 34.761 196 HE ARG 31 HE ARG 31 2.879 3.256 32.016 197 HH11 ARG 31 2HH1 ARG 31 1.076 5.150 34.315 198 HH12 ARG 31 1HH1 ARG 31 0.384 6.189 33.113 199 HH21 ARG 31 2HH2 ARG 31 1.974 4.617 30.425 200 HH22 ARG 31 1HH2 ARG 31 0.895 5.884 30.901 201 H LEU 32 H LEU 32 7.465 0.323 34.799 202 HA LEU 32 HA LEU 32 8.966 2.700 33.920 203 HB2 LEU 32 1HB LEU 32 10.013 -0.090 34.368 204 HB3 LEU 32 2HB LEU 32 10.962 1.336 33.951 205 HG LEU 32 HG LEU 32 9.407 1.119 36.518 206 HD11 LEU 32 1HD1 LEU 32 12.208 0.819 36.920 207 HD12 LEU 32 2HD1 LEU 32 11.667 -0.408 35.776 208 HD13 LEU 32 3HD1 LEU 32 10.902 -0.281 37.359 209 HD21 LEU 32 3HD2 LEU 32 10.048 3.367 35.815 210 HD22 LEU 32 1HD2 LEU 32 11.727 2.847 35.662 211 HD23 LEU 32 2HD2 LEU 32 10.952 2.866 37.246 212 H LEU 33 H LEU 33 7.507 2.749 32.057 213 HA LEU 33 HA LEU 33 8.027 0.644 30.079 214 HB2 LEU 33 1HB LEU 33 5.837 2.614 30.500 215 HB3 LEU 33 2HB LEU 33 6.171 2.070 28.857 216 HG LEU 33 HG LEU 33 5.702 0.074 31.039 217 HD11 LEU 33 1HD1 LEU 33 3.859 2.022 30.565 218 HD12 LEU 33 2HD1 LEU 33 3.490 0.396 31.139 219 HD13 LEU 33 3HD1 LEU 33 3.367 0.773 29.421 220 HD21 LEU 33 3HD2 LEU 33 5.193 0.074 28.065 221 HD22 LEU 33 1HD2 LEU 33 4.897 -1.272 29.165 222 HD23 LEU 33 2HD2 LEU 33 6.544 -0.708 28.887 223 H ARG 34 H ARG 34 9.787 1.076 28.908 224 HA ARG 34 HA ARG 34 10.926 3.583 28.474 225 HB2 ARG 34 1HB ARG 34 11.133 1.109 26.747 226 HB3 ARG 34 2HB ARG 34 12.214 2.495 26.677 227 HG2 ARG 34 1HG ARG 34 11.829 0.790 29.126 228 HG3 ARG 34 2HG ARG 34 13.105 0.540 27.934 229 HD2 ARG 34 1HD ARG 34 12.762 3.238 29.156 230 HD3 ARG 34 2HD ARG 34 13.539 1.964 30.095 231 HE ARG 34 HE ARG 34 15.348 2.018 28.644 232 HH11 ARG 34 2HH1 ARG 34 12.790 4.093 27.516 233 HH12 ARG 34 1HH1 ARG 34 13.782 4.898 26.346 234 HH21 ARG 34 2HH2 ARG 34 16.664 3.071 27.106 235 HH22 ARG 34 1HH2 ARG 34 15.985 4.315 26.113 236 H VAL 35 H VAL 35 10.550 5.198 27.082 237 HA VAL 35 HA VAL 35 8.155 5.364 25.637 238 HB VAL 35 HB VAL 35 9.491 7.302 24.438 239 HG11 VAL 35 1HG1 VAL 35 8.518 7.180 27.271 240 HG12 VAL 35 2HG1 VAL 35 9.129 8.682 26.576 241 HG13 VAL 35 3HG1 VAL 35 7.732 7.880 25.856 242 HG21 VAL 35 3HG2 VAL 35 11.132 7.045 26.937 243 HG22 VAL 35 1HG2 VAL 35 11.655 6.328 25.413 244 HG23 VAL 35 2HG2 VAL 35 11.411 8.071 25.529 245 H HIS 36 H HIS 36 7.597 4.913 23.582 246 HA HIS 36 HA HIS 36 9.235 3.182 22.038 247 HB2 HIS 36 1HB HIS 36 6.706 4.651 21.261 248 HB3 HIS 36 2HB HIS 36 7.436 3.329 20.356 249 HD1 HIS 36 1HD HIS 36 5.302 1.890 20.661 250 HD2 HIS 36 2HD HIS 36 7.173 2.949 24.217 251 HE1 HIS 36 1HE HIS 36 4.269 0.426 22.426 252 HE2 HIS 36 2HE HIS 36 5.356 1.145 24.582 253 H HIS 37 H HIS 37 8.131 6.526 21.496 254 HA HIS 37 HA HIS 37 8.819 8.096 19.967 255 HB2 HIS 37 1HB HIS 37 10.540 8.037 21.881 256 HB3 HIS 37 2HB HIS 37 11.597 7.222 20.732 257 HD1 HIS 37 1HD HIS 37 9.823 10.516 21.243 258 HD2 HIS 37 2HD HIS 37 12.859 8.870 18.934 259 HE1 HIS 37 1HE HIS 37 10.895 12.458 20.059 260 HE2 HIS 37 2HE HIS 37 12.674 11.428 18.603 261 H GLU 38 H GLU 38 8.319 5.578 18.747 262 HA GLU 38 HA GLU 38 10.334 4.652 17.063 263 HB2 GLU 38 1HB GLU 38 7.344 4.634 16.924 264 HB3 GLU 38 2HB GLU 38 8.275 4.088 15.536 265 HG2 GLU 38 1HG GLU 38 9.495 2.594 17.273 266 HG3 GLU 38 2HG GLU 38 8.066 2.893 18.261 267 H SER 39 H SER 39 11.005 5.169 15.008 268 HA SER 39 HA SER 39 10.242 7.853 14.082 269 HB2 SER 39 1HB SER 39 12.700 7.141 14.649 270 HB3 SER 39 2HB SER 39 12.647 6.377 13.061 271 HG SER 39 HG SER 39 12.964 8.276 12.252 272 H ASP 40 H ASP 40 11.206 4.698 12.725 273 HA ASP 40 HA ASP 40 10.805 3.813 10.635 274 HB2 ASP 40 1HB ASP 40 8.000 4.570 11.483 275 HB3 ASP 40 2HB ASP 40 8.425 3.340 10.295 276 H THR 41 H THR 41 11.655 6.419 10.315 277 HA THR 41 HA THR 41 9.937 7.386 8.122 278 HB THR 41 HB THR 41 11.784 9.031 9.864 279 HG1 THR 41 1HG THR 41 10.057 8.941 11.108 280 HG21 THR 41 3HG2 THR 41 11.801 10.286 7.967 281 HG22 THR 41 1HG2 THR 41 10.251 10.833 8.606 282 HG23 THR 41 2HG2 THR 41 10.300 9.586 7.360 283 H GLU 42 H GLU 42 10.968 6.199 6.511 284 HA GLU 42 HA GLU 42 13.732 5.967 6.153 285 HB2 GLU 42 1HB GLU 42 12.025 4.586 4.990 286 HB3 GLU 42 2HB GLU 42 11.601 5.982 4.008 287 HG2 GLU 42 1HG GLU 42 14.071 6.000 3.322 288 HG3 GLU 42 2HG GLU 42 14.121 4.368 3.986 289 H GLU 43 H GLU 43 15.226 7.107 4.951 290 HA GLU 43 HA GLU 43 14.464 9.876 4.340 291 HB2 GLU 43 1HB GLU 43 16.243 10.082 5.770 292 HB3 GLU 43 2HB GLU 43 16.970 8.565 5.259 293 HG2 GLU 43 1HG GLU 43 18.103 9.522 3.535 294 HG3 GLU 43 2HG GLU 43 16.904 10.793 3.304 295 H ARG 44 H ARG 44 16.384 7.181 3.037 296 HA ARG 44 HA ARG 44 17.253 8.161 0.668 297 HB2 ARG 44 1HB ARG 44 16.085 5.453 1.289 298 HB3 ARG 44 2HB ARG 44 16.801 5.828 -0.273 299 HG2 ARG 44 1HG ARG 44 18.365 6.338 2.213 300 HG3 ARG 44 2HG ARG 44 18.218 4.692 1.593 301 HD2 ARG 44 1HD ARG 44 19.062 5.485 -0.593 302 HD3 ARG 44 2HD ARG 44 19.288 7.088 0.105 303 HE ARG 44 HE ARG 44 20.650 5.207 1.680 304 HH11 ARG 44 2HH1 ARG 44 20.809 6.676 -1.472 305 HH12 ARG 44 1HH1 ARG 44 22.529 6.517 -1.602 306 HH21 ARG 44 2HH2 ARG 44 22.915 4.992 1.520 307 HH22 ARG 44 1HH2 ARG 44 23.726 5.558 0.100 308 H GLY 45 H GLY 45 16.264 9.338 -0.830 309 HA2 GLY 45 1HA GLY 45 14.774 9.769 -2.562 310 HA3 GLY 45 2HA GLY 45 13.828 8.376 -2.057 311 H PHE 46 H PHE 46 13.485 9.176 0.667 312 HA PHE 46 HA PHE 46 11.141 10.686 0.455 313 HB2 PHE 46 1HB PHE 46 11.334 9.299 2.353 314 HB3 PHE 46 2HB PHE 46 12.902 9.970 2.789 315 HD1 PHE 46 1HD PHE 46 9.305 10.848 2.505 316 HD2 PHE 46 2HD PHE 46 13.052 11.691 4.341 317 HE1 PHE 46 1HE PHE 46 8.197 12.425 4.034 318 HE2 PHE 46 2HE PHE 46 11.949 13.269 5.873 319 HZ PHE 46 HZ PHE 46 9.519 13.637 5.722 320 H LEU 47 H LEU 47 14.052 11.726 2.228 321 HA LEU 47 HA LEU 47 13.346 14.444 2.262 322 HB2 LEU 47 1HB LEU 47 15.808 12.880 2.811 323 HB3 LEU 47 2HB LEU 47 15.980 14.618 2.575 324 HG LEU 47 HG LEU 47 13.995 13.574 4.553 325 HD11 LEU 47 1HD1 LEU 47 16.768 13.015 4.666 326 HD12 LEU 47 2HD1 LEU 47 15.537 12.724 5.894 327 HD13 LEU 47 3HD1 LEU 47 16.417 14.252 5.872 328 HD21 LEU 47 3HD2 LEU 47 15.517 16.108 4.082 329 HD22 LEU 47 1HD2 LEU 47 14.863 15.736 5.677 330 HD23 LEU 47 2HD2 LEU 47 13.782 15.868 4.290 331 H GLU 48 H GLU 48 15.659 12.691 0.199 332 HA GLU 48 HA GLU 48 16.658 14.719 -1.326 333 HB2 GLU 48 1HB GLU 48 17.250 12.295 -1.514 334 HB3 GLU 48 2HB GLU 48 15.773 12.052 -2.436 335 HG2 GLU 48 1HG GLU 48 16.692 13.858 -4.006 336 HG3 GLU 48 2HG GLU 48 18.234 13.571 -3.202 337 H LYS 49 H LYS 49 13.713 12.867 -2.116 338 HA LYS 49 HA LYS 49 12.939 14.332 -4.346 339 HB2 LYS 49 1HB LYS 49 11.952 12.159 -3.527 340 HB3 LYS 49 2HB LYS 49 11.045 13.094 -2.346 341 HG2 LYS 49 1HG LYS 49 9.790 14.179 -4.024 342 HG3 LYS 49 2HG LYS 49 10.866 13.606 -5.300 343 HD2 LYS 49 1HD LYS 49 10.163 11.249 -4.542 344 HD3 LYS 49 2HD LYS 49 8.837 12.067 -3.712 345 HE2 LYS 49 1HE LYS 49 8.257 13.139 -5.905 346 HE3 LYS 49 2HE LYS 49 9.449 12.084 -6.662 347 HZ1 LYS 49 3HZ LYS 49 7.019 11.342 -6.637 348 HZ2 LYS 49 1HZ LYS 49 7.275 10.971 -5.006 349 HZ3 LYS 49 2HZ LYS 49 8.194 10.206 -6.201 350 H ALA 50 H ALA 50 12.194 14.872 -0.927 351 HA ALA 50 HA ALA 50 10.373 16.954 -1.186 352 HB1 ALA 50 1HB ALA 50 11.866 17.580 1.076 353 HB2 ALA 50 2HB ALA 50 10.409 16.590 1.007 354 HB3 ALA 50 3HB ALA 50 11.997 15.828 0.919 355 H ALA 51 H ALA 51 13.914 17.144 -0.843 356 HA ALA 51 HA ALA 51 14.192 19.902 -0.913 357 HB1 ALA 51 1HB ALA 51 15.907 17.629 -1.123 358 HB2 ALA 51 2HB ALA 51 16.380 18.828 -2.327 359 HB3 ALA 51 3HB ALA 51 16.299 19.275 -0.624 360 H VAL 52 H VAL 52 14.770 17.742 -3.697 361 HA VAL 52 HA VAL 52 15.024 19.537 -5.703 362 HB VAL 52 HB VAL 52 13.390 17.002 -5.890 363 HG11 VAL 52 1HG1 VAL 52 14.717 17.403 -8.282 364 HG12 VAL 52 2HG1 VAL 52 12.999 17.675 -7.980 365 HG13 VAL 52 3HG1 VAL 52 14.143 19.012 -7.843 366 HG21 VAL 52 3HG2 VAL 52 15.689 16.223 -6.869 367 HG22 VAL 52 1HG2 VAL 52 16.322 17.549 -5.893 368 HG23 VAL 52 2HG2 VAL 52 15.424 16.241 -5.125 369 H LYS 53 H LYS 53 11.955 18.419 -4.328 370 HA LYS 53 HA LYS 53 10.282 19.864 -6.091 371 HB2 LYS 53 1HB LYS 53 9.942 18.461 -3.490 372 HB3 LYS 53 2HB LYS 53 8.699 19.616 -3.951 373 HG2 LYS 53 1HG LYS 53 9.543 17.603 -5.963 374 HG3 LYS 53 2HG LYS 53 8.548 17.066 -4.607 375 HD2 LYS 53 1HD LYS 53 7.060 17.639 -6.369 376 HD3 LYS 53 2HD LYS 53 6.959 18.935 -5.175 377 HE2 LYS 53 1HE LYS 53 8.916 19.207 -7.399 378 HE3 LYS 53 2HE LYS 53 7.206 19.438 -7.759 379 HZ1 LYS 53 3HZ LYS 53 7.408 21.487 -6.982 380 HZ2 LYS 53 1HZ LYS 53 9.004 21.211 -6.495 381 HZ3 LYS 53 2HZ LYS 53 7.727 20.864 -5.442 382 H LYS 54 H LYS 54 11.485 20.584 -2.827 383 HA LYS 54 HA LYS 54 10.180 22.959 -2.339 384 HB2 LYS 54 1HB LYS 54 11.983 21.565 -0.968 385 HB3 LYS 54 2HB LYS 54 13.067 22.791 -1.613 386 HG2 LYS 54 1HG LYS 54 12.482 23.813 0.322 387 HG3 LYS 54 2HG LYS 54 11.175 24.408 -0.704 388 HD2 LYS 54 1HD LYS 54 9.647 22.821 0.165 389 HD3 LYS 54 2HD LYS 54 10.936 21.900 0.944 390 HE2 LYS 54 1HE LYS 54 9.996 23.071 2.712 391 HE3 LYS 54 2HE LYS 54 11.373 24.077 2.265 392 HZ1 LYS 54 3HZ LYS 54 8.621 24.548 1.267 393 HZ2 LYS 54 1HZ LYS 54 9.956 25.577 1.129 394 HZ3 LYS 54 2HZ LYS 54 9.253 25.303 2.643 395 H MET 55 H MET 55 13.309 22.536 -3.988 396 HA MET 55 HA MET 55 13.842 25.204 -4.533 397 HB2 MET 55 1HB MET 55 14.488 22.932 -6.409 398 HB3 MET 55 2HB MET 55 15.371 24.439 -6.202 399 HG2 MET 55 1HG MET 55 15.927 23.731 -3.890 400 HG3 MET 55 2HG MET 55 15.160 22.180 -4.228 401 HE1 MET 55 3HE MET 55 18.587 23.764 -3.960 402 HE2 MET 55 1HE MET 55 19.236 23.677 -5.598 403 HE3 MET 55 2HE MET 55 17.844 24.705 -5.255 404 H ALA 56 H ALA 56 12.095 22.842 -6.540 405 HA ALA 56 HA ALA 56 11.546 24.460 -8.723 406 HB1 ALA 56 1HB ALA 56 10.754 22.472 -9.331 407 HB2 ALA 56 2HB ALA 56 10.555 21.959 -7.655 408 HB3 ALA 56 3HB ALA 56 9.282 22.885 -8.451 409 H LYS 57 H LYS 57 9.395 23.839 -5.942 410 HA LYS 57 HA LYS 57 7.314 25.491 -6.529 411 HB2 LYS 57 1HB LYS 57 8.611 25.028 -3.840 412 HB3 LYS 57 2HB LYS 57 7.052 25.814 -4.052 413 HG2 LYS 57 1HG LYS 57 6.084 23.826 -4.937 414 HG3 LYS 57 2HG LYS 57 7.659 23.032 -5.021 415 HD2 LYS 57 1HD LYS 57 6.870 22.128 -3.074 416 HD3 LYS 57 2HD LYS 57 7.672 23.564 -2.433 417 HE2 LYS 57 1HE LYS 57 5.609 24.734 -2.254 418 HE3 LYS 57 2HE LYS 57 4.755 23.497 -3.175 419 HZ1 LYS 57 3HZ LYS 57 5.339 23.596 -0.380 420 HZ2 LYS 57 1HZ LYS 57 5.849 22.140 -1.076 421 HZ3 LYS 57 2HZ LYS 57 4.234 22.624 -1.214 422 H ALA 58 H ALA 58 10.205 26.485 -4.691 423 HA ALA 58 HA ALA 58 9.616 29.165 -4.388 424 HB1 ALA 58 1HB ALA 58 11.606 29.181 -3.406 425 HB2 ALA 58 2HB ALA 58 11.836 27.517 -3.947 426 HB3 ALA 58 3HB ALA 58 12.418 28.855 -4.938 427 H ILE 59 H ILE 59 11.212 27.562 -7.119 428 HA ILE 59 HA ILE 59 11.824 29.857 -8.602 429 HB ILE 59 HB ILE 59 11.169 27.087 -9.612 430 HG12 ILE 59 1HG1 ILE 59 13.902 28.307 -9.273 431 HG13 ILE 59 2HG1 ILE 59 13.112 27.440 -7.960 432 HG21 ILE 59 1HG2 ILE 59 12.156 27.679 -11.676 433 HG22 ILE 59 2HG2 ILE 59 11.020 28.970 -11.289 434 HG23 ILE 59 3HG2 ILE 59 12.749 29.212 -11.037 435 HD11 ILE 59 3HD1 ILE 59 13.182 26.020 -10.525 436 HD12 ILE 59 1HD1 ILE 59 14.751 26.305 -9.773 437 HD13 ILE 59 2HD1 ILE 59 13.493 25.438 -8.890 438 H MET 60 H MET 60 9.010 27.683 -8.866 439 HA MET 60 HA MET 60 7.573 28.670 -10.878 440 HB2 MET 60 1HB MET 60 6.524 28.092 -8.104 441 HB3 MET 60 2HB MET 60 5.500 28.302 -9.518 442 HG2 MET 60 1HG MET 60 7.683 26.268 -9.541 443 HG3 MET 60 2HG MET 60 6.154 25.923 -8.736 444 HE1 MET 60 3HE MET 60 3.588 25.916 -10.532 445 HE2 MET 60 1HE MET 60 4.185 24.421 -11.254 446 HE3 MET 60 2HE MET 60 4.572 24.806 -9.577 447 H ALA 61 H ALA 61 7.782 30.238 -7.699 448 HA ALA 61 HA ALA 61 6.317 32.551 -8.699 449 HB1 ALA 61 1HB ALA 61 5.903 31.568 -6.422 450 HB2 ALA 61 2HB ALA 61 7.487 32.186 -5.951 451 HB3 ALA 61 3HB ALA 61 6.218 33.303 -6.451 452 H ASP 62 H ASP 62 9.560 31.611 -7.763 453 HA ASP 62 HA ASP 62 10.513 34.325 -8.385 454 HB2 ASP 62 1HB ASP 62 11.561 32.150 -6.610 455 HB3 ASP 62 2HB ASP 62 12.676 33.338 -7.279 456 HA PRO 63 HA PRO 63 11.766 31.941 -12.090 457 HB2 PRO 63 1HB PRO 63 11.631 34.076 -13.761 458 HB3 PRO 63 2HB PRO 63 10.220 33.101 -13.332 459 HG2 PRO 63 1HG PRO 63 11.112 35.735 -12.222 460 HG3 PRO 63 2HG PRO 63 9.480 35.202 -12.665 461 HD2 PRO 63 1HD PRO 63 10.356 35.236 -10.103 462 HD3 PRO 63 2HD PRO 63 9.190 34.037 -10.698 463 H ASN 64 H ASN 64 13.006 34.720 -10.464 464 HA ASN 64 HA ASN 64 15.347 35.051 -12.081 465 HB2 ASN 64 1HB ASN 64 14.999 35.991 -9.234 466 HB3 ASN 64 2HB ASN 64 16.032 36.679 -10.483 467 HD21 ASN 64 1HD2 ASN 64 15.246 38.232 -11.759 468 HD22 ASN 64 2HD2 ASN 64 13.609 38.786 -11.750 469 H LYS 65 H LYS 65 14.512 33.238 -9.204 470 HA LYS 65 HA LYS 65 17.174 32.552 -8.467 471 HB2 LYS 65 1HB LYS 65 14.441 31.642 -7.705 472 HB3 LYS 65 2HB LYS 65 15.794 30.589 -7.316 473 HG2 LYS 65 1HG LYS 65 15.853 33.481 -6.557 474 HG3 LYS 65 2HG LYS 65 14.988 32.303 -5.568 475 HD2 LYS 65 1HD LYS 65 17.863 31.946 -6.385 476 HD3 LYS 65 2HD LYS 65 17.388 32.785 -4.906 477 HE2 LYS 65 1HE LYS 65 16.242 30.091 -5.428 478 HE3 LYS 65 2HE LYS 65 17.930 30.193 -4.933 479 HZ1 LYS 65 3HZ LYS 65 15.676 30.319 -3.315 480 HZ2 LYS 65 1HZ LYS 65 16.367 31.863 -3.290 481 HZ3 LYS 65 2HZ LYS 65 17.291 30.516 -2.853 482 H ALA 66 H ALA 66 14.749 31.100 -10.553 483 HA ALA 66 HA ALA 66 15.457 28.571 -10.975 484 HB1 ALA 66 1HB ALA 66 15.407 30.035 -13.518 485 HB2 ALA 66 2HB ALA 66 14.384 28.718 -12.942 486 HB3 ALA 66 3HB ALA 66 14.055 30.376 -12.436 487 H ASP 67 H ASP 67 17.184 31.237 -12.604 488 HA ASP 67 HA ASP 67 19.143 29.887 -13.906 489 HB2 ASP 67 1HB ASP 67 19.430 32.457 -12.338 490 HB3 ASP 67 2HB ASP 67 20.622 31.865 -13.492 491 H GLU 68 H GLU 68 19.405 30.987 -10.523 492 HA GLU 68 HA GLU 68 21.875 29.806 -9.977 493 HB2 GLU 68 1HB GLU 68 19.613 30.232 -8.018 494 HB3 GLU 68 2HB GLU 68 21.321 30.074 -7.631 495 HG2 GLU 68 1HG GLU 68 20.111 32.305 -9.247 496 HG3 GLU 68 2HG GLU 68 20.534 32.395 -7.538 497 H VAL 69 H VAL 69 18.690 28.603 -8.902 498 HA VAL 69 HA VAL 69 19.334 26.191 -7.885 499 HB VAL 69 HB VAL 69 16.998 26.799 -9.698 500 HG11 VAL 69 1HG1 VAL 69 17.882 24.286 -8.602 501 HG12 VAL 69 2HG1 VAL 69 16.304 24.734 -7.951 502 HG13 VAL 69 3HG1 VAL 69 16.541 24.623 -9.695 503 HG21 VAL 69 3HG2 VAL 69 17.504 27.912 -7.327 504 HG22 VAL 69 1HG2 VAL 69 15.870 27.521 -7.863 505 HG23 VAL 69 2HG2 VAL 69 16.724 26.431 -6.770 506 H TYR 70 H TYR 70 18.545 26.641 -11.338 507 HA TYR 70 HA TYR 70 18.985 24.184 -12.349 508 HB2 TYR 70 1HB TYR 70 19.960 26.790 -13.533 509 HB3 TYR 70 2HB TYR 70 19.833 25.277 -14.422 510 HD1 TYR 70 1HD TYR 70 17.238 24.274 -13.320 511 HD2 TYR 70 2HD TYR 70 18.399 28.148 -14.642 512 HE1 TYR 70 1HE TYR 70 14.894 24.786 -13.861 513 HE2 TYR 70 2HE TYR 70 16.058 28.671 -15.186 514 HH TYR 70 HH TYR 70 13.930 27.142 -15.812 515 H LYS 71 H LYS 71 21.556 26.559 -11.712 516 HA LYS 71 HA LYS 71 23.705 24.938 -12.513 517 HB2 LYS 71 1HB LYS 71 23.396 27.391 -10.857 518 HB3 LYS 71 2HB LYS 71 24.911 26.508 -10.721 519 HG2 LYS 71 1HG LYS 71 25.440 27.962 -12.392 520 HG3 LYS 71 2HG LYS 71 24.826 26.610 -13.347 521 HD2 LYS 71 1HD LYS 71 22.760 27.678 -13.719 522 HD3 LYS 71 2HD LYS 71 23.054 28.866 -12.446 523 HE2 LYS 71 1HE LYS 71 24.629 28.648 -15.010 524 HE3 LYS 71 2HE LYS 71 23.319 29.792 -14.726 525 HZ1 LYS 71 3HZ LYS 71 24.839 30.331 -12.639 526 HZ2 LYS 71 1HZ LYS 71 25.050 31.094 -14.135 527 HZ3 LYS 71 2HZ LYS 71 26.045 29.798 -13.699 528 H LYS 72 H LYS 72 22.155 25.386 -9.364 529 HA LYS 72 HA LYS 72 23.924 23.882 -7.813 530 HB2 LYS 72 1HB LYS 72 20.993 24.501 -7.549 531 HB3 LYS 72 2HB LYS 72 21.816 23.486 -6.372 532 HG2 LYS 72 1HG LYS 72 23.325 25.279 -5.813 533 HG3 LYS 72 2HG LYS 72 22.635 26.296 -7.080 534 HD2 LYS 72 1HD LYS 72 20.465 26.234 -5.918 535 HD3 LYS 72 2HD LYS 72 21.193 25.261 -4.637 536 HE2 LYS 72 1HE LYS 72 21.054 27.626 -4.014 537 HE3 LYS 72 2HE LYS 72 22.725 27.072 -4.106 538 HZ1 LYS 72 3HZ LYS 72 23.132 28.688 -5.540 539 HZ2 LYS 72 1HZ LYS 72 21.520 29.197 -5.479 540 HZ3 LYS 72 2HZ LYS 72 22.001 28.045 -6.621 541 H TRP 73 H TRP 73 20.757 22.802 -9.060 542 HA TRP 73 HA TRP 73 20.773 20.187 -8.424 543 HB2 TRP 73 1HB TRP 73 19.841 21.587 -10.906 544 HB3 TRP 73 2HB TRP 73 19.717 19.833 -10.796 545 HD1 TRP 73 HD TRP 73 18.984 19.997 -7.550 546 HE1 TRP 73 1HE TRP 73 16.552 20.587 -6.949 547 HE3 TRP 73 3HE TRP 73 17.557 22.152 -11.961 548 HZ2 TRP 73 2HZ TRP 73 14.323 21.804 -8.182 549 HZ3 TRP 73 3HZ TRP 73 15.258 23.003 -12.168 550 HH2 TRP 73 HH TRP 73 13.676 22.832 -10.317 551 H ALA 74 H ALA 74 22.023 21.251 -11.594 552 HA ALA 74 HA ALA 74 23.189 18.950 -12.449 553 HB1 ALA 74 1HB ALA 74 23.413 21.712 -13.090 554 HB2 ALA 74 2HB ALA 74 25.029 21.005 -13.086 555 HB3 ALA 74 3HB ALA 74 23.765 20.310 -14.101 556 H ASP 75 H ASP 75 24.459 21.189 -10.052 557 HA ASP 75 HA ASP 75 27.044 20.055 -9.852 558 HB2 ASP 75 1HB ASP 75 26.052 22.323 -8.936 559 HB3 ASP 75 2HB ASP 75 25.743 21.356 -7.496 560 H LYS 76 H LYS 76 24.115 19.627 -7.877 561 HA LYS 76 HA LYS 76 25.042 17.862 -5.993 562 HB2 LYS 76 1HB LYS 76 22.352 17.737 -7.369 563 HB3 LYS 76 2HB LYS 76 22.746 17.030 -5.808 564 HG2 LYS 76 1HG LYS 76 22.878 19.975 -6.412 565 HG3 LYS 76 2HG LYS 76 21.493 19.167 -5.674 566 HD2 LYS 76 1HD LYS 76 24.275 19.051 -4.523 567 HD3 LYS 76 2HD LYS 76 23.096 20.285 -4.074 568 HE2 LYS 76 1HE LYS 76 22.698 17.307 -3.802 569 HE3 LYS 76 2HE LYS 76 23.141 18.398 -2.491 570 HZ1 LYS 76 3HZ LYS 76 20.855 18.179 -2.292 571 HZ2 LYS 76 1HZ LYS 76 20.588 18.229 -3.962 572 HZ3 LYS 76 2HZ LYS 76 21.017 19.639 -3.131 573 H GLY 77 H GLY 77 23.953 17.133 -9.286 574 HA2 GLY 77 1HA GLY 77 25.173 15.389 -10.491 575 HA3 GLY 77 2HA GLY 77 25.203 14.473 -8.991 576 H TYR 78 H TYR 78 22.544 16.179 -10.621 577 HA TYR 78 HA TYR 78 21.003 13.680 -10.509 578 HB2 TYR 78 1HB TYR 78 20.011 16.514 -10.875 579 HB3 TYR 78 2HB TYR 78 19.009 15.081 -10.679 580 HD1 TYR 78 1HD TYR 78 20.107 13.650 -8.473 581 HD2 TYR 78 2HD TYR 78 19.834 17.862 -9.013 582 HE1 TYR 78 1HE TYR 78 20.138 13.960 -6.033 583 HE2 TYR 78 2HE TYR 78 19.865 18.183 -6.575 584 HH TYR 78 HH TYR 78 20.481 15.532 -4.380 585 H THR 79 H THR 79 19.335 13.490 -12.319 586 HA THR 79 HA THR 79 20.272 14.529 -14.880 587 HB THR 79 HB THR 79 21.492 12.421 -14.639 588 HG1 THR 79 1HG THR 79 20.443 13.117 -16.703 589 HG21 THR 79 3HG2 THR 79 19.886 11.320 -13.103 590 HG22 THR 79 1HG2 THR 79 20.349 10.296 -14.461 591 HG23 THR 79 2HG2 THR 79 18.781 11.102 -14.460 592 H LEU 80 H LEU 80 18.725 14.343 -16.580 593 HA LEU 80 HA LEU 80 16.184 15.040 -16.100 594 HB2 LEU 80 1HB LEU 80 17.140 13.208 -18.291 595 HB3 LEU 80 2HB LEU 80 15.552 13.973 -18.269 596 HG LEU 80 HG LEU 80 18.021 15.657 -18.134 597 HD11 LEU 80 1HD1 LEU 80 16.781 14.857 -20.744 598 HD12 LEU 80 2HD1 LEU 80 18.133 13.963 -20.051 599 HD13 LEU 80 3HD1 LEU 80 18.318 15.671 -20.448 600 HD21 LEU 80 3HD2 LEU 80 15.665 16.525 -17.785 601 HD22 LEU 80 1HD2 LEU 80 15.389 16.176 -19.492 602 HD23 LEU 80 2HD2 LEU 80 16.628 17.339 -19.019 603 H THR 81 H THR 81 17.251 11.662 -16.419 604 HA THR 81 HA THR 81 14.908 10.305 -16.152 605 HB THR 81 HB THR 81 17.496 9.592 -14.758 606 HG1 THR 81 1HG THR 81 17.245 9.915 -17.232 607 HG21 THR 81 3HG2 THR 81 16.624 7.590 -14.216 608 HG22 THR 81 1HG2 THR 81 15.741 7.455 -15.737 609 HG23 THR 81 2HG2 THR 81 15.066 8.395 -14.405 610 H GLN 82 H GLN 82 16.984 10.988 -13.329 611 HA GLN 82 HA GLN 82 14.933 10.439 -11.456 612 HB2 GLN 82 1HB GLN 82 17.557 11.906 -11.171 613 HB3 GLN 82 2HB GLN 82 16.504 11.515 -9.817 614 HG2 GLN 82 1HG GLN 82 16.713 9.081 -10.796 615 HG3 GLN 82 2HG GLN 82 18.200 9.735 -11.481 616 HE21 GLN 82 1HE2 GLN 82 19.911 10.171 -10.164 617 HE22 GLN 82 2HE2 GLN 82 19.956 9.756 -8.488 618 H MET 83 H MET 83 16.479 13.539 -12.320 619 HA MET 83 HA MET 83 15.081 15.331 -10.903 620 HB2 MET 83 1HB MET 83 16.738 16.049 -12.496 621 HB3 MET 83 2HB MET 83 15.748 15.504 -13.844 622 HG2 MET 83 1HG MET 83 15.581 17.867 -13.731 623 HG3 MET 83 2HG MET 83 14.046 17.195 -13.187 624 HE1 MET 83 3HE MET 83 17.328 19.084 -10.662 625 HE2 MET 83 1HE MET 83 17.219 17.334 -10.469 626 HE3 MET 83 2HE MET 83 17.508 18.028 -12.064 627 H SER 84 H SER 84 13.933 14.250 -14.107 628 HA SER 84 HA SER 84 11.447 15.449 -14.054 629 HB2 SER 84 1HB SER 84 10.776 13.871 -15.760 630 HB3 SER 84 2HB SER 84 12.469 14.290 -16.021 631 HG SER 84 HG SER 84 13.031 12.333 -14.979 632 H ASN 85 H ASN 85 12.345 12.221 -12.879 633 HA ASN 85 HA ASN 85 9.817 11.350 -12.103 634 HB2 ASN 85 1HB ASN 85 12.610 10.671 -11.325 635 HB3 ASN 85 2HB ASN 85 11.316 10.105 -10.273 636 HD21 ASN 85 1HD2 ASN 85 13.235 9.144 -12.649 637 HD22 ASN 85 2HD2 ASN 85 12.214 8.007 -13.455 638 H PHE 86 H PHE 86 12.204 13.270 -10.334 639 HA PHE 86 HA PHE 86 10.808 13.341 -7.880 640 HB2 PHE 86 1HB PHE 86 12.833 15.266 -9.038 641 HB3 PHE 86 2HB PHE 86 12.269 15.294 -7.370 642 HD1 PHE 86 1HD PHE 86 12.208 12.439 -6.709 643 HD2 PHE 86 2HD PHE 86 15.071 14.692 -8.911 644 HE1 PHE 86 1HE PHE 86 13.954 10.818 -6.092 645 HE2 PHE 86 2HE PHE 86 16.820 13.075 -8.298 646 HZ PHE 86 HZ PHE 86 16.263 11.134 -6.888 647 H LEU 87 H LEU 87 11.141 15.874 -10.372 648 HA LEU 87 HA LEU 87 9.286 17.651 -9.290 649 HB2 LEU 87 1HB LEU 87 10.173 17.191 -12.128 650 HB3 LEU 87 2HB LEU 87 9.100 18.509 -11.660 651 HG LEU 87 HG LEU 87 11.877 18.144 -10.546 652 HD11 LEU 87 1HD1 LEU 87 11.216 20.231 -12.561 653 HD12 LEU 87 2HD1 LEU 87 11.555 18.592 -13.115 654 HD13 LEU 87 3HD1 LEU 87 12.763 19.474 -12.181 655 HD21 LEU 87 3HD2 LEU 87 9.662 19.907 -9.974 656 HD22 LEU 87 1HD2 LEU 87 11.089 20.812 -10.480 657 HD23 LEU 87 2HD2 LEU 87 11.189 19.700 -9.115 658 H LYS 88 H LYS 88 8.839 14.853 -11.351 659 HA LYS 88 HA LYS 88 6.190 15.326 -12.152 660 HB2 LYS 88 1HB LYS 88 7.955 12.937 -11.956 661 HB3 LYS 88 2HB LYS 88 6.227 12.657 -12.131 662 HG2 LYS 88 1HG LYS 88 6.494 14.395 -14.094 663 HG3 LYS 88 2HG LYS 88 8.166 13.833 -14.047 664 HD2 LYS 88 1HD LYS 88 5.912 11.864 -14.089 665 HD3 LYS 88 2HD LYS 88 6.453 12.628 -15.585 666 HE2 LYS 88 1HE LYS 88 8.501 11.592 -15.531 667 HE3 LYS 88 2HE LYS 88 8.489 11.422 -13.776 668 HZ1 LYS 88 3HZ LYS 88 6.689 9.888 -15.564 669 HZ2 LYS 88 1HZ LYS 88 6.983 9.623 -13.919 670 HZ3 LYS 88 2HZ LYS 88 8.196 9.313 -15.056 671 H SER 89 H SER 89 4.666 15.842 -10.700 672 HA SER 89 HA SER 89 4.498 14.328 -8.199 673 HB2 SER 89 1HB SER 89 4.405 16.926 -8.378 674 HB3 SER 89 2HB SER 89 2.736 16.664 -8.882 675 HG SER 89 HG SER 89 3.649 15.359 -6.584 676 H LYS 90 H LYS 90 3.764 13.090 -10.691 677 HA LYS 90 HA LYS 90 2.160 11.661 -11.449 678 HB2 LYS 90 1HB LYS 90 0.465 12.467 -9.088 679 HB3 LYS 90 2HB LYS 90 0.390 10.971 -10.009 680 HG2 LYS 90 1HG LYS 90 2.779 11.779 -8.374 681 HG3 LYS 90 2HG LYS 90 1.450 10.804 -7.742 682 HD2 LYS 90 1HD LYS 90 2.868 9.141 -8.416 683 HD3 LYS 90 2HD LYS 90 1.944 9.366 -9.903 684 HE2 LYS 90 1HE LYS 90 3.844 11.153 -10.370 685 HE3 LYS 90 2HE LYS 90 4.749 10.118 -9.266 686 HZ1 LYS 90 3HZ LYS 90 5.198 9.169 -11.291 687 HZ2 LYS 90 1HZ LYS 90 3.663 9.493 -11.926 688 HZ3 LYS 90 2HZ LYS 90 3.868 8.245 -10.803 689 H THR 91 H THR 91 2.263 14.257 -12.454 690 HA THR 91 HA THR 91 -0.543 14.630 -13.230 691 HB THR 91 HB THR 91 1.304 16.946 -12.631 692 HG1 THR 91 1HG THR 91 -0.821 15.822 -11.100 693 HG21 THR 91 3HG2 THR 91 -0.606 18.335 -12.968 694 HG22 THR 91 1HG2 THR 91 -1.678 16.940 -13.080 695 HG23 THR 91 2HG2 THR 91 -0.503 17.254 -14.358 696 H ALA 92 H ALA 92 -0.863 15.460 -15.320 697 HA ALA 92 HA ALA 92 0.877 14.607 -17.296 698 HB1 ALA 92 1HB ALA 92 -0.440 16.438 -18.680 699 HB2 ALA 92 2HB ALA 92 -1.216 14.952 -18.131 700 HB3 ALA 92 3HB ALA 92 -1.450 16.452 -17.234 701 H GLY 93 H GLY 93 0.326 17.993 -16.289 702 HA2 GLY 93 1HA GLY 93 3.152 18.554 -16.777 703 HA3 GLY 93 2HA GLY 93 1.986 19.449 -17.740 704 H LYS 94 H LYS 94 3.313 18.961 -14.553 705 HA LYS 94 HA LYS 94 1.774 21.246 -13.537 706 HB2 LYS 94 1HB LYS 94 1.643 19.263 -12.148 707 HB3 LYS 94 2HB LYS 94 3.396 19.143 -12.093 708 HG2 LYS 94 1HG LYS 94 3.596 21.005 -10.694 709 HG3 LYS 94 2HG LYS 94 1.955 21.553 -11.043 710 HD2 LYS 94 1HD LYS 94 1.068 19.575 -9.878 711 HD3 LYS 94 2HD LYS 94 2.718 19.073 -9.500 712 HE2 LYS 94 1HE LYS 94 2.140 20.161 -7.563 713 HE3 LYS 94 2HE LYS 94 2.887 21.475 -8.471 714 HZ1 LYS 94 3HZ LYS 94 0.078 21.050 -7.789 715 HZ2 LYS 94 1HZ LYS 94 0.413 21.778 -9.279 716 HZ3 LYS 94 2HZ LYS 94 0.971 22.485 -7.848 717 H TYR 95 H TYR 95 5.097 19.962 -13.301 718 HA TYR 95 HA TYR 95 6.060 22.731 -13.081 719 HB2 TYR 95 1HB TYR 95 7.409 20.138 -12.302 720 HB3 TYR 95 2HB TYR 95 8.123 21.738 -12.136 721 HD1 TYR 95 1HD TYR 95 7.095 23.376 -10.541 722 HD2 TYR 95 2HD TYR 95 5.904 19.293 -10.680 723 HE1 TYR 95 1HE TYR 95 6.079 23.603 -8.313 724 HE2 TYR 95 2HE TYR 95 4.883 19.510 -8.452 725 HH TYR 95 HH TYR 95 5.234 22.448 -6.548 726 H ASP 96 H ASP 96 5.341 21.820 -15.607 727 HA ASP 96 HA ASP 96 7.457 20.709 -17.096 728 HB2 ASP 96 1HB ASP 96 5.463 20.614 -18.249 729 HB3 ASP 96 2HB ASP 96 4.976 22.232 -17.753 730 H ARG 97 H ARG 97 6.583 24.054 -16.359 731 HA ARG 97 HA ARG 97 8.432 25.327 -18.031 732 HB2 ARG 97 1HB ARG 97 6.559 26.465 -16.870 733 HB3 ARG 97 2HB ARG 97 7.417 26.276 -15.347 734 HG2 ARG 97 1HG ARG 97 7.863 28.466 -15.997 735 HG3 ARG 97 2HG ARG 97 9.314 27.574 -16.459 736 HD2 ARG 97 1HD ARG 97 7.976 27.318 -18.732 737 HD3 ARG 97 2HD ARG 97 7.203 28.795 -18.157 738 HE ARG 97 HE ARG 97 9.080 29.896 -18.807 739 HH11 ARG 97 2HH1 ARG 97 9.965 26.626 -18.004 740 HH12 ARG 97 1HH1 ARG 97 11.637 26.842 -18.402 741 HH21 ARG 97 2HH2 ARG 97 11.280 30.193 -19.334 742 HH22 ARG 97 1HH2 ARG 97 12.384 28.872 -19.158 743 H VAL 98 H VAL 98 8.708 24.684 -14.530 744 HA VAL 98 HA VAL 98 11.343 25.511 -14.215 745 HB VAL 98 HB VAL 98 9.927 23.304 -12.713 746 HG11 VAL 98 1HG1 VAL 98 11.724 24.642 -11.042 747 HG12 VAL 98 2HG1 VAL 98 11.866 22.998 -11.669 748 HG13 VAL 98 3HG1 VAL 98 12.605 24.343 -12.540 749 HG21 VAL 98 3HG2 VAL 98 9.220 25.957 -12.879 750 HG22 VAL 98 1HG2 VAL 98 8.793 24.854 -11.570 751 HG23 VAL 98 2HG2 VAL 98 10.206 25.899 -11.417 752 H TYR 99 H TYR 99 10.122 22.217 -14.812 753 HA TYR 99 HA TYR 99 12.567 20.900 -14.884 754 HB2 TYR 99 1HB TYR 99 10.553 19.615 -14.835 755 HB3 TYR 99 2HB TYR 99 9.980 20.337 -16.334 756 HD1 TYR 99 1HD TYR 99 12.985 18.457 -15.129 757 HD2 TYR 99 2HD TYR 99 10.104 19.011 -18.210 758 HE1 TYR 99 1HE TYR 99 13.995 16.607 -16.397 759 HE2 TYR 99 2HE TYR 99 11.105 17.162 -19.487 760 HH TYR 99 HH TYR 99 13.893 15.356 -18.224 761 H ASN 100 H ASN 100 10.766 22.423 -17.540 762 HA ASN 100 HA ASN 100 12.310 21.757 -19.694 763 HB2 ASN 100 1HB ASN 100 10.275 23.089 -19.897 764 HB3 ASN 100 2HB ASN 100 11.065 24.453 -19.112 765 HD21 ASN 100 1HD2 ASN 100 10.355 25.538 -21.099 766 HD22 ASN 100 2HD2 ASN 100 11.388 25.474 -22.482 767 H GLY 101 H GLY 101 12.789 24.714 -17.745 768 HA2 GLY 101 1HA GLY 101 15.049 25.727 -18.839 769 HA3 GLY 101 2HA GLY 101 14.755 25.749 -17.107 770 H TYR 102 H TYR 102 15.146 23.366 -16.165 771 HA TYR 102 HA TYR 102 17.853 22.967 -16.037 772 HB2 TYR 102 1HB TYR 102 16.173 21.963 -14.499 773 HB3 TYR 102 2HB TYR 102 15.764 20.797 -15.753 774 HD1 TYR 102 1HD TYR 102 18.908 22.088 -14.179 775 HD2 TYR 102 2HD TYR 102 16.647 18.703 -15.417 776 HE1 TYR 102 1HE TYR 102 20.698 20.605 -13.374 777 HE2 TYR 102 2HE TYR 102 18.430 17.211 -14.615 778 HH TYR 102 HH TYR 102 21.153 17.631 -14.248 779 H VAL 103 H VAL 103 15.561 21.150 -18.070 780 HA VAL 103 HA VAL 103 17.138 19.341 -19.302 781 HB VAL 103 HB VAL 103 15.176 21.104 -20.776 782 HG11 VAL 103 1HG1 VAL 103 16.561 18.549 -21.430 783 HG12 VAL 103 2HG1 VAL 103 14.914 18.801 -22.013 784 HG13 VAL 103 3HG1 VAL 103 16.193 19.929 -22.464 785 HG21 VAL 103 3HG2 VAL 103 14.829 18.875 -18.855 786 HG22 VAL 103 1HG2 VAL 103 13.804 20.276 -19.166 787 HG23 VAL 103 2HG2 VAL 103 13.771 18.897 -20.265 788 H ILE 104 H ILE 104 16.720 22.662 -20.546 789 HA ILE 104 HA ILE 104 18.629 22.531 -22.561 790 HB ILE 104 HB ILE 104 17.867 24.952 -20.923 791 HG12 ILE 104 1HG1 ILE 104 16.789 24.361 -23.648 792 HG13 ILE 104 2HG1 ILE 104 16.106 23.507 -22.268 793 HG21 ILE 104 1HG2 ILE 104 18.563 25.465 -23.669 794 HG22 ILE 104 2HG2 ILE 104 19.223 26.169 -22.194 795 HG23 ILE 104 3HG2 ILE 104 19.889 24.664 -22.827 796 HD11 ILE 104 3HD1 ILE 104 15.032 25.715 -23.088 797 HD12 ILE 104 1HD1 ILE 104 15.214 25.421 -21.359 798 HD13 ILE 104 2HD1 ILE 104 16.350 26.477 -22.199 799 H HIS 105 H HIS 105 19.014 23.746 -19.234 800 HA HIS 105 HA HIS 105 21.605 24.551 -19.225 801 HB2 HIS 105 1HB HIS 105 20.237 24.686 -17.232 802 HB3 HIS 105 2HB HIS 105 20.191 22.930 -17.099 803 HD1 HIS 105 1HD HIS 105 22.250 25.886 -16.268 804 HD2 HIS 105 2HD HIS 105 22.628 21.749 -16.205 805 HE1 HIS 105 1HE HIS 105 24.278 25.417 -14.856 806 HE2 HIS 105 2HE HIS 105 24.537 22.912 -14.903 807 H LEU 106 H LEU 106 20.576 21.196 -18.578 808 HA LEU 106 HA LEU 106 23.120 20.073 -18.422 809 HB2 LEU 106 1HB LEU 106 20.396 19.046 -19.003 810 HB3 LEU 106 2HB LEU 106 21.762 17.994 -19.366 811 HG LEU 106 HG LEU 106 21.013 19.124 -16.672 812 HD11 LEU 106 1HD1 LEU 106 20.938 16.358 -17.854 813 HD12 LEU 106 2HD1 LEU 106 19.588 17.310 -17.239 814 HD13 LEU 106 3HD1 LEU 106 20.805 16.685 -16.126 815 HD21 LEU 106 3HD2 LEU 106 22.962 17.194 -16.319 816 HD22 LEU 106 1HD2 LEU 106 23.175 18.939 -16.167 817 HD23 LEU 106 2HD2 LEU 106 23.543 18.135 -17.694 818 H ASP 107 H ASP 107 21.239 21.027 -21.180 819 HA ASP 107 HA ASP 107 22.374 19.511 -23.204 820 HB2 ASP 107 1HB ASP 107 20.461 21.241 -23.311 821 HB3 ASP 107 2HB ASP 107 21.736 22.429 -23.570 822 H TYR 108 H TYR 108 23.830 21.875 -21.230 823 HA TYR 108 HA TYR 108 25.778 22.956 -22.909 824 HB2 TYR 108 1HB TYR 108 26.819 23.741 -20.985 825 HB3 TYR 108 2HB TYR 108 25.163 23.508 -20.436 826 HD1 TYR 108 1HD TYR 108 24.732 20.996 -19.531 827 HD2 TYR 108 2HD TYR 108 28.479 23.012 -19.570 828 HE1 TYR 108 1HE TYR 108 25.533 19.530 -17.726 829 HE2 TYR 108 2HE TYR 108 29.291 21.550 -17.766 830 HH TYR 108 HH TYR 108 27.689 18.721 -16.831 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -10.709 9.120 105.400 2 HA2 GLY 1 1HA GLY 1 -10.059 8.592 102.616 3 HA3 GLY 1 2HA GLY 1 -9.003 8.350 103.999 4 H SER 2 H SER 2 -8.590 6.316 104.529 5 HA SER 2 HA SER 2 -10.520 4.269 104.663 6 HB2 SER 2 1HB SER 2 -10.455 4.333 102.226 7 HB3 SER 2 2HB SER 2 -8.699 4.172 102.245 8 HG SER 2 HG SER 2 -9.060 2.110 102.222 9 H SER 3 H SER 3 -9.628 2.237 105.357 10 HA SER 3 HA SER 3 -6.774 2.164 105.935 11 HB2 SER 3 1HB SER 3 -8.842 1.917 108.133 12 HB3 SER 3 2HB SER 3 -7.096 1.752 108.320 13 HG SER 3 HG SER 3 -8.032 3.863 108.858 14 H GLY 4 H GLY 4 -6.349 0.017 107.264 15 HA2 GLY 4 1HA GLY 4 -8.135 -2.157 106.856 16 HA3 GLY 4 2HA GLY 4 -6.908 -2.126 105.599 17 H SER 5 H SER 5 -6.443 -4.276 106.587 18 HA SER 5 HA SER 5 -4.182 -4.030 108.344 19 HB2 SER 5 1HB SER 5 -4.969 -5.249 110.202 20 HB3 SER 5 2HB SER 5 -6.277 -4.122 109.843 21 HG SER 5 HG SER 5 -7.506 -5.792 109.589 22 H SER 6 H SER 6 -3.220 -6.242 108.799 23 HA SER 6 HA SER 6 -3.866 -8.167 106.677 24 HB2 SER 6 1HB SER 6 -1.978 -6.818 105.877 25 HB3 SER 6 2HB SER 6 -1.081 -7.184 107.351 26 HG SER 6 HG SER 6 -1.654 -8.811 105.156 27 H GLY 7 H GLY 7 -2.983 -10.327 107.063 28 HA2 GLY 7 1HA GLY 7 -1.648 -11.519 108.954 29 HA3 GLY 7 2HA GLY 7 -2.969 -10.911 109.942 30 H ASN 8 H ASN 8 -1.943 -13.324 107.723 31 HA ASN 8 HA ASN 8 -4.141 -15.011 108.385 32 HB2 ASN 8 1HB ASN 8 -5.036 -13.404 106.570 33 HB3 ASN 8 2HB ASN 8 -4.006 -14.306 105.462 34 HD21 ASN 8 1HD2 ASN 8 -6.607 -14.657 107.814 35 HD22 ASN 8 2HD2 ASN 8 -7.331 -16.041 107.075 36 H VAL 9 H VAL 9 -4.060 -17.059 106.919 37 HA VAL 9 HA VAL 9 -1.305 -17.624 106.080 38 HB VAL 9 HB VAL 9 -2.920 -19.377 107.938 39 HG11 VAL 9 1HG1 VAL 9 -0.424 -19.843 106.370 40 HG12 VAL 9 2HG1 VAL 9 -0.616 -20.612 107.946 41 HG13 VAL 9 3HG1 VAL 9 -1.786 -20.923 106.663 42 HG21 VAL 9 3HG2 VAL 9 -0.216 -18.421 108.653 43 HG22 VAL 9 1HG2 VAL 9 -1.506 -17.218 108.666 44 HG23 VAL 9 2HG2 VAL 9 -1.639 -18.665 109.665 45 H ASP 10 H ASP 10 -1.086 -19.319 104.571 46 HA ASP 10 HA ASP 10 -3.512 -20.557 103.535 47 HB2 ASP 10 1HB ASP 10 -3.124 -18.343 102.334 48 HB3 ASP 10 2HB ASP 10 -1.672 -19.076 101.658 49 H SER 11 H SER 11 -2.890 -22.058 101.632 50 HA SER 11 HA SER 11 -0.453 -23.493 102.435 51 HB2 SER 11 1HB SER 11 -1.493 -25.488 101.461 52 HB3 SER 11 2HB SER 11 -2.562 -24.754 102.656 53 HG SER 11 HG SER 11 -2.733 -24.477 99.836 54 H ASN 12 H ASN 12 0.769 -24.590 100.733 55 HA ASN 12 HA ASN 12 0.800 -22.992 98.262 56 HB2 ASN 12 1HB ASN 12 3.209 -23.974 98.134 57 HB3 ASN 12 2HB ASN 12 2.881 -22.652 99.251 58 HD21 ASN 12 1HD2 ASN 12 4.315 -23.039 100.820 59 HD22 ASN 12 2HD2 ASN 12 4.389 -24.492 101.753 60 H GLN 13 H GLN 13 1.394 -24.093 96.276 61 HA GLN 13 HA GLN 13 0.971 -26.988 96.271 62 HB2 GLN 13 1HB GLN 13 -0.557 -25.061 94.513 63 HB3 GLN 13 2HB GLN 13 -0.617 -26.815 94.397 64 HG2 GLN 13 1HG GLN 13 -1.302 -25.496 96.980 65 HG3 GLN 13 2HG GLN 13 -2.476 -25.501 95.664 66 HE21 GLN 13 1HE2 GLN 13 -0.896 -27.347 98.088 67 HE22 GLN 13 2HE2 GLN 13 -1.760 -28.823 97.842 68 H ASN 14 H ASN 14 1.130 -27.684 93.766 69 HA ASN 14 HA ASN 14 3.711 -26.607 92.885 70 HB2 ASN 14 1HB ASN 14 3.347 -29.101 93.358 71 HB3 ASN 14 2HB ASN 14 2.404 -29.128 91.871 72 HD21 ASN 14 1HD2 ASN 14 5.516 -27.847 93.007 73 HD22 ASN 14 2HD2 ASN 14 6.423 -28.371 91.632 74 H LYS 15 H LYS 15 3.961 -26.978 90.356 75 HA LYS 15 HA LYS 15 1.725 -26.574 88.693 76 HB2 LYS 15 1HB LYS 15 2.096 -24.200 88.095 77 HB3 LYS 15 2HB LYS 15 1.554 -24.405 89.755 78 HG2 LYS 15 1HG LYS 15 4.474 -24.234 89.193 79 HG3 LYS 15 2HG LYS 15 3.499 -22.763 89.180 80 HD2 LYS 15 1HD LYS 15 2.676 -23.368 91.453 81 HD3 LYS 15 2HD LYS 15 3.812 -24.719 91.455 82 HE2 LYS 15 1HE LYS 15 4.886 -22.971 92.620 83 HE3 LYS 15 2HE LYS 15 5.632 -23.015 91.023 84 HZ1 LYS 15 3HZ LYS 15 3.710 -21.049 92.101 85 HZ2 LYS 15 1HZ LYS 15 3.928 -21.233 90.433 86 HZ3 LYS 15 2HZ LYS 15 5.230 -20.774 91.410 87 H ALA 16 H ALA 16 2.539 -25.506 86.505 88 HA ALA 16 HA ALA 16 5.256 -26.509 85.966 89 HB1 ALA 16 1HB ALA 16 2.761 -27.428 84.870 90 HB2 ALA 16 2HB ALA 16 3.807 -26.803 83.594 91 HB3 ALA 16 3HB ALA 16 4.386 -28.081 84.662 92 H SER 17 H SER 17 5.818 -25.758 83.553 93 HA SER 17 HA SER 17 5.145 -22.896 83.362 94 HB2 SER 17 1HB SER 17 7.443 -23.266 84.254 95 HB3 SER 17 2HB SER 17 7.846 -24.129 82.770 96 HG SER 17 HG SER 17 7.281 -22.162 81.644 97 H MET 18 H MET 18 3.550 -23.425 81.797 98 HA MET 18 HA MET 18 4.087 -24.895 79.447 99 HB2 MET 18 1HB MET 18 1.826 -24.061 80.549 100 HB3 MET 18 2HB MET 18 2.048 -22.717 79.437 101 HG2 MET 18 1HG MET 18 0.698 -24.215 78.279 102 HG3 MET 18 2HG MET 18 2.311 -24.480 77.621 103 HE1 MET 18 3HE MET 18 1.833 -27.414 76.811 104 HE2 MET 18 1HE MET 18 3.179 -26.330 77.163 105 HE3 MET 18 2HE MET 18 3.082 -27.902 77.957 106 H LEU 19 H LEU 19 5.073 -24.352 77.605 107 HA LEU 19 HA LEU 19 5.654 -21.503 77.126 108 HB2 LEU 19 1HB LEU 19 7.821 -21.979 76.437 109 HB3 LEU 19 2HB LEU 19 7.597 -22.994 77.860 110 HG LEU 19 HG LEU 19 6.935 -24.783 76.013 111 HD11 LEU 19 1HD1 LEU 19 7.524 -24.338 73.917 112 HD12 LEU 19 2HD1 LEU 19 9.108 -23.744 74.413 113 HD13 LEU 19 3HD1 LEU 19 7.720 -22.657 74.414 114 HD21 LEU 19 3HD2 LEU 19 9.658 -23.957 76.968 115 HD22 LEU 19 1HD2 LEU 19 9.419 -25.386 75.962 116 HD23 LEU 19 2HD2 LEU 19 8.638 -25.278 77.540 117 H GLN 20 H GLN 20 5.765 -20.832 74.937 118 HA GLN 20 HA GLN 20 5.325 -22.534 72.736 119 HB2 GLN 20 1HB GLN 20 3.105 -22.827 73.688 120 HB3 GLN 20 2HB GLN 20 2.884 -21.085 73.775 121 HG2 GLN 20 1HG GLN 20 3.469 -22.305 71.130 122 HG3 GLN 20 2HG GLN 20 1.860 -22.512 71.820 123 HE21 GLN 20 1HE2 GLN 20 0.982 -20.368 72.764 124 HE22 GLN 20 2HE2 GLN 20 1.124 -18.997 71.723 125 H ALA 21 H ALA 21 5.402 -21.437 70.769 126 HA ALA 21 HA ALA 21 5.078 -18.646 70.483 127 HB1 ALA 21 1HB ALA 21 7.927 -19.072 70.070 128 HB2 ALA 21 2HB ALA 21 7.084 -17.759 70.894 129 HB3 ALA 21 3HB ALA 21 7.440 -19.256 71.755 130 H ARG 22 H ARG 22 5.073 -18.048 68.353 131 HA ARG 22 HA ARG 22 5.995 -20.045 66.397 132 HB2 ARG 22 1HB ARG 22 3.326 -18.730 66.650 133 HB3 ARG 22 2HB ARG 22 3.942 -19.077 65.039 134 HG2 ARG 22 1HG ARG 22 3.804 -21.344 65.322 135 HG3 ARG 22 2HG ARG 22 3.967 -21.245 67.076 136 HD2 ARG 22 1HD ARG 22 1.739 -20.694 67.381 137 HD3 ARG 22 2HD ARG 22 1.557 -20.099 65.731 138 HE ARG 22 HE ARG 22 2.008 -22.699 65.316 139 HH11 ARG 22 2HH1 ARG 22 -0.130 -21.059 67.520 140 HH12 ARG 22 1HH1 ARG 22 -1.312 -22.326 67.521 141 HH21 ARG 22 2HH2 ARG 22 0.459 -24.374 65.309 142 HH22 ARG 22 1HH2 ARG 22 -0.976 -24.211 66.264 143 H LEU 23 H LEU 23 6.122 -19.073 64.145 144 HA LEU 23 HA LEU 23 6.341 -16.295 63.759 145 HB2 LEU 23 1HB LEU 23 8.734 -16.010 63.658 146 HB3 LEU 23 2HB LEU 23 8.255 -16.542 65.269 147 HG LEU 23 HG LEU 23 9.264 -18.507 63.241 148 HD11 LEU 23 1HD1 LEU 23 11.163 -17.295 63.183 149 HD12 LEU 23 2HD1 LEU 23 11.446 -18.065 64.743 150 HD13 LEU 23 3HD1 LEU 23 10.789 -16.430 64.674 151 HD21 LEU 23 3HD2 LEU 23 8.573 -19.768 64.983 152 HD22 LEU 23 1HD2 LEU 23 8.696 -18.439 66.137 153 HD23 LEU 23 2HD2 LEU 23 10.145 -19.317 65.645 154 H ASN 24 H ASN 24 7.553 -15.792 61.674 155 HA ASN 24 HA ASN 24 8.067 -17.932 59.855 156 HB2 ASN 24 1HB ASN 24 5.530 -17.851 59.979 157 HB3 ASN 24 2HB ASN 24 5.632 -16.261 59.229 158 HD21 ASN 24 1HD2 ASN 24 6.331 -16.088 57.093 159 HD22 ASN 24 2HD2 ASN 24 6.343 -17.447 56.026 160 H ASP 25 H ASP 25 8.659 -17.146 57.699 161 HA ASP 25 HA ASP 25 9.053 -14.290 57.391 162 HB2 ASP 25 1HB ASP 25 11.026 -15.332 58.728 163 HB3 ASP 25 2HB ASP 25 11.501 -16.018 57.176 164 H GLU 26 H GLU 26 9.343 -13.660 55.269 165 HA GLU 26 HA GLU 26 9.958 -15.505 53.179 166 HB2 GLU 26 1HB GLU 26 7.826 -15.524 52.043 167 HB3 GLU 26 2HB GLU 26 7.617 -16.152 53.671 168 HG2 GLU 26 1HG GLU 26 5.816 -14.779 53.562 169 HG3 GLU 26 2HG GLU 26 7.007 -13.642 54.191 170 H ALA 27 H ALA 27 10.016 -14.487 51.075 171 HA ALA 27 HA ALA 27 9.389 -11.776 50.641 172 HB1 ALA 27 1HB ALA 27 11.052 -10.824 51.805 173 HB2 ALA 27 2HB ALA 27 11.984 -12.320 51.888 174 HB3 ALA 27 3HB ALA 27 12.062 -11.311 50.444 175 H GLY 28 H GLY 28 10.458 -10.933 48.603 176 HA2 GLY 28 1HA GLY 28 11.932 -12.438 46.826 177 HA3 GLY 28 2HA GLY 28 10.267 -12.947 46.587 178 H GLY 29 H GLY 29 11.707 -11.779 44.541 179 HA2 GLY 29 1HA GLY 29 10.059 -9.435 44.041 180 HA3 GLY 29 2HA GLY 29 11.793 -9.153 44.059 181 H THR 30 H THR 30 10.609 -8.509 41.795 182 HA THR 30 HA THR 30 11.641 -10.488 39.933 183 HB THR 30 HB THR 30 9.630 -10.477 38.524 184 HG1 THR 30 1HG THR 30 8.808 -8.438 39.386 185 HG21 THR 30 3HG2 THR 30 9.801 -12.342 39.986 186 HG22 THR 30 1HG2 THR 30 8.132 -11.785 40.088 187 HG23 THR 30 2HG2 THR 30 9.273 -11.391 41.373 188 H ARG 31 H ARG 31 11.269 -9.567 37.584 189 HA ARG 31 HA ARG 31 11.257 -6.692 37.405 190 HB2 ARG 31 1HB ARG 31 13.519 -6.475 36.502 191 HB3 ARG 31 2HB ARG 31 13.557 -7.090 38.149 192 HG2 ARG 31 1HG ARG 31 13.650 -8.953 35.809 193 HG3 ARG 31 2HG ARG 31 15.106 -8.151 36.401 194 HD2 ARG 31 1HD ARG 31 14.615 -9.075 38.660 195 HD3 ARG 31 2HD ARG 31 13.279 -9.980 37.950 196 HE ARG 31 HE ARG 31 16.048 -10.643 37.833 197 HH11 ARG 31 2HH1 ARG 31 13.048 -10.839 36.077 198 HH12 ARG 31 1HH1 ARG 31 13.512 -12.248 35.182 199 HH21 ARG 31 2HH2 ARG 31 16.671 -12.498 36.661 200 HH22 ARG 31 1HH2 ARG 31 15.573 -13.191 35.515 201 H LEU 32 H LEU 32 11.248 -5.928 35.222 202 HA LEU 32 HA LEU 32 11.013 -7.974 33.142 203 HB2 LEU 32 1HB LEU 32 8.954 -5.834 33.659 204 HB3 LEU 32 2HB LEU 32 8.960 -6.940 32.287 205 HG LEU 32 HG LEU 32 8.713 -7.835 35.155 206 HD11 LEU 32 1HD1 LEU 32 6.286 -8.247 34.363 207 HD12 LEU 32 2HD1 LEU 32 6.644 -7.009 33.160 208 HD13 LEU 32 3HD1 LEU 32 6.758 -6.627 34.878 209 HD21 LEU 32 3HD2 LEU 32 9.549 -9.401 33.302 210 HD22 LEU 32 1HD2 LEU 32 7.900 -9.323 32.681 211 HD23 LEU 32 2HD2 LEU 32 8.202 -9.947 34.303 212 H LEU 33 H LEU 33 10.903 -6.974 30.934 213 HA LEU 33 HA LEU 33 12.588 -4.560 30.864 214 HB2 LEU 33 1HB LEU 33 12.520 -7.044 29.235 215 HB3 LEU 33 2HB LEU 33 12.979 -5.543 28.434 216 HG LEU 33 HG LEU 33 14.743 -5.298 30.257 217 HD11 LEU 33 1HD1 LEU 33 13.558 -7.885 30.965 218 HD12 LEU 33 2HD1 LEU 33 14.472 -6.743 31.950 219 HD13 LEU 33 3HD1 LEU 33 15.320 -7.870 30.892 220 HD21 LEU 33 3HD2 LEU 33 16.115 -5.975 28.649 221 HD22 LEU 33 1HD2 LEU 33 14.727 -6.658 27.803 222 HD23 LEU 33 2HD2 LEU 33 15.663 -7.660 28.913 223 H ARG 34 H ARG 34 12.385 -3.480 28.568 224 HA ARG 34 HA ARG 34 9.590 -3.400 27.703 225 HB2 ARG 34 1HB ARG 34 10.018 -1.629 29.461 226 HB3 ARG 34 2HB ARG 34 11.131 -0.881 28.324 227 HG2 ARG 34 1HG ARG 34 9.258 0.316 27.863 228 HG3 ARG 34 2HG ARG 34 9.032 -1.016 26.727 229 HD2 ARG 34 1HD ARG 34 7.937 -1.237 29.495 230 HD3 ARG 34 2HD ARG 34 7.081 -0.264 28.300 231 HE ARG 34 HE ARG 34 7.707 -2.827 27.259 232 HH11 ARG 34 2HH1 ARG 34 5.539 -1.185 29.433 233 HH12 ARG 34 1HH1 ARG 34 4.262 -2.340 29.239 234 HH21 ARG 34 2HH2 ARG 34 6.033 -4.354 26.995 235 HH22 ARG 34 1HH2 ARG 34 4.544 -4.142 27.853 236 H VAL 35 H VAL 35 9.462 -3.454 25.561 237 HA VAL 35 HA VAL 35 11.847 -2.732 23.998 238 HB VAL 35 HB VAL 35 11.129 -5.052 23.723 239 HG11 VAL 35 1HG1 VAL 35 8.541 -3.894 22.692 240 HG12 VAL 35 2HG1 VAL 35 8.985 -5.602 22.705 241 HG13 VAL 35 3HG1 VAL 35 8.751 -4.739 24.226 242 HG21 VAL 35 3HG2 VAL 35 12.170 -3.916 21.833 243 HG22 VAL 35 1HG2 VAL 35 10.968 -5.081 21.278 244 HG23 VAL 35 2HG2 VAL 35 10.589 -3.359 21.283 245 H HIS 36 H HIS 36 11.743 -1.260 22.369 246 HA HIS 36 HA HIS 36 9.284 0.321 22.208 247 HB2 HIS 36 1HB HIS 36 12.170 0.872 21.638 248 HB3 HIS 36 2HB HIS 36 10.938 1.847 20.842 249 HD1 HIS 36 1HD HIS 36 9.361 3.258 22.445 250 HD2 HIS 36 2HD HIS 36 12.671 1.522 24.259 251 HE1 HIS 36 1HE HIS 36 9.610 4.434 24.654 252 HE2 HIS 36 2HE HIS 36 11.670 3.426 25.697 253 H HIS 37 H HIS 37 8.312 0.856 20.239 254 HA HIS 37 HA HIS 37 8.890 -1.040 18.074 255 HB2 HIS 37 1HB HIS 37 6.619 -1.169 18.894 256 HB3 HIS 37 2HB HIS 37 6.408 0.569 18.703 257 HD1 HIS 37 1HD HIS 37 4.376 0.112 17.129 258 HD2 HIS 37 2HD HIS 37 8.015 -1.317 15.722 259 HE1 HIS 37 1HE HIS 37 3.996 -0.420 14.701 260 HE2 HIS 37 2HE HIS 37 6.187 -1.363 13.893 261 H GLU 38 H GLU 38 10.289 -0.181 16.665 262 HA GLU 38 HA GLU 38 10.637 2.562 16.171 263 HB2 GLU 38 1HB GLU 38 11.467 0.059 14.750 264 HB3 GLU 38 2HB GLU 38 11.721 1.618 13.979 265 HG2 GLU 38 1HG GLU 38 12.823 2.220 16.282 266 HG3 GLU 38 2HG GLU 38 12.999 0.470 16.405 267 H SER 39 H SER 39 9.982 3.890 14.485 268 HA SER 39 HA SER 39 7.434 3.145 13.289 269 HB2 SER 39 1HB SER 39 8.893 5.798 13.225 270 HB3 SER 39 2HB SER 39 7.231 5.510 12.710 271 HG SER 39 HG SER 39 8.275 5.790 15.246 272 H ASP 40 H ASP 40 6.995 3.543 11.025 273 HA ASP 40 HA ASP 40 9.261 2.762 9.362 274 HB2 ASP 40 1HB ASP 40 7.648 2.125 7.707 275 HB3 ASP 40 2HB ASP 40 7.071 1.533 9.262 276 H THR 41 H THR 41 10.448 4.511 8.828 277 HA THR 41 HA THR 41 9.032 6.766 7.560 278 HB THR 41 HB THR 41 10.871 8.230 8.258 279 HG1 THR 41 1HG THR 41 12.598 6.859 8.465 280 HG21 THR 41 3HG2 THR 41 9.702 6.674 10.568 281 HG22 THR 41 1HG2 THR 41 8.909 8.000 9.719 282 HG23 THR 41 2HG2 THR 41 10.377 8.300 10.650 283 H GLU 42 H GLU 42 9.231 6.443 5.425 284 HA GLU 42 HA GLU 42 11.592 5.257 4.276 285 HB2 GLU 42 1HB GLU 42 8.960 6.213 3.240 286 HB3 GLU 42 2HB GLU 42 10.291 6.031 2.106 287 HG2 GLU 42 1HG GLU 42 8.889 4.045 2.169 288 HG3 GLU 42 2HG GLU 42 10.528 3.697 2.717 289 H GLU 43 H GLU 43 13.344 6.565 4.503 290 HA GLU 43 HA GLU 43 13.179 9.388 3.875 291 HB2 GLU 43 1HB GLU 43 15.482 7.623 4.715 292 HB3 GLU 43 2HB GLU 43 15.641 9.344 4.390 293 HG2 GLU 43 1HG GLU 43 14.020 9.813 6.174 294 HG3 GLU 43 2HG GLU 43 13.923 8.087 6.518 295 H ARG 44 H ARG 44 14.955 6.569 2.614 296 HA ARG 44 HA ARG 44 16.355 7.611 0.557 297 HB2 ARG 44 1HB ARG 44 16.139 5.507 -0.603 298 HB3 ARG 44 2HB ARG 44 16.224 5.196 1.126 299 HG2 ARG 44 1HG ARG 44 13.679 5.115 1.069 300 HG3 ARG 44 2HG ARG 44 13.842 5.028 -0.686 301 HD2 ARG 44 1HD ARG 44 15.135 3.007 -0.516 302 HD3 ARG 44 2HD ARG 44 15.175 3.133 1.242 303 HE ARG 44 HE ARG 44 12.521 3.046 0.646 304 HH11 ARG 44 2HH1 ARG 44 15.256 1.024 -0.097 305 HH12 ARG 44 1HH1 ARG 44 14.324 -0.435 -0.169 306 HH21 ARG 44 2HH2 ARG 44 11.283 1.133 0.554 307 HH22 ARG 44 1HH2 ARG 44 12.064 -0.372 0.201 308 H GLY 45 H GLY 45 15.903 8.932 -1.071 309 HA2 GLY 45 1HA GLY 45 14.818 9.709 -2.974 310 HA3 GLY 45 2HA GLY 45 13.538 8.540 -2.688 311 H PHE 46 H PHE 46 12.875 9.293 -0.048 312 HA PHE 46 HA PHE 46 11.024 11.341 -0.538 313 HB2 PHE 46 1HB PHE 46 10.440 9.893 1.202 314 HB3 PHE 46 2HB PHE 46 12.028 10.003 1.955 315 HD1 PHE 46 1HD PHE 46 8.775 11.625 1.538 316 HD2 PHE 46 2HD PHE 46 12.586 11.827 3.424 317 HE1 PHE 46 1HE PHE 46 7.921 13.348 3.071 318 HE2 PHE 46 2HE PHE 46 11.737 13.550 4.961 319 HZ PHE 46 HZ PHE 46 9.402 14.313 4.787 320 H LEU 47 H LEU 47 13.866 11.446 1.619 321 HA LEU 47 HA LEU 47 13.799 14.178 2.135 322 HB2 LEU 47 1HB LEU 47 15.885 12.068 2.248 323 HB3 LEU 47 2HB LEU 47 16.410 13.747 2.350 324 HG LEU 47 HG LEU 47 14.284 12.696 4.183 325 HD11 LEU 47 1HD1 LEU 47 16.741 11.502 4.056 326 HD12 LEU 47 2HD1 LEU 47 15.704 11.561 5.481 327 HD13 LEU 47 3HD1 LEU 47 16.990 12.751 5.277 328 HD21 LEU 47 3HD2 LEU 47 14.726 14.560 5.452 329 HD22 LEU 47 1HD2 LEU 47 15.022 15.183 3.829 330 HD23 LEU 47 2HD2 LEU 47 16.378 14.712 4.853 331 H GLU 48 H GLU 48 15.468 12.403 -0.439 332 HA GLU 48 HA GLU 48 16.832 14.581 -1.562 333 HB2 GLU 48 1HB GLU 48 17.021 12.021 -2.032 334 HB3 GLU 48 2HB GLU 48 15.788 12.331 -3.246 335 HG2 GLU 48 1HG GLU 48 17.701 12.533 -4.483 336 HG3 GLU 48 2HG GLU 48 17.412 14.209 -4.022 337 H LYS 49 H LYS 49 13.690 13.151 -2.419 338 HA LYS 49 HA LYS 49 13.069 14.914 -4.507 339 HB2 LYS 49 1HB LYS 49 11.915 12.705 -3.737 340 HB3 LYS 49 2HB LYS 49 10.950 13.767 -2.719 341 HG2 LYS 49 1HG LYS 49 10.361 15.052 -4.795 342 HG3 LYS 49 2HG LYS 49 11.134 13.763 -5.720 343 HD2 LYS 49 1HD LYS 49 9.579 12.183 -4.410 344 HD3 LYS 49 2HD LYS 49 8.670 13.642 -4.011 345 HE2 LYS 49 1HE LYS 49 8.189 14.076 -6.285 346 HE3 LYS 49 2HE LYS 49 9.377 12.897 -6.838 347 HZ1 LYS 49 3HZ LYS 49 6.645 12.504 -6.020 348 HZ2 LYS 49 1HZ LYS 49 7.722 11.404 -5.318 349 HZ3 LYS 49 2HZ LYS 49 7.630 11.540 -7.001 350 H ALA 50 H ALA 50 12.432 15.103 -1.035 351 HA ALA 50 HA ALA 50 10.751 17.294 -0.950 352 HB1 ALA 50 1HB ALA 50 10.989 17.074 1.252 353 HB2 ALA 50 2HB ALA 50 12.116 15.761 0.908 354 HB3 ALA 50 3HB ALA 50 12.721 17.396 1.172 355 H ALA 51 H ALA 51 14.313 17.332 -0.732 356 HA ALA 51 HA ALA 51 14.676 20.079 -0.639 357 HB1 ALA 51 1HB ALA 51 16.323 17.753 -1.221 358 HB2 ALA 51 2HB ALA 51 16.845 19.198 -2.087 359 HB3 ALA 51 3HB ALA 51 16.713 19.224 -0.329 360 H VAL 52 H VAL 52 14.678 17.975 -3.517 361 HA VAL 52 HA VAL 52 15.070 19.949 -5.438 362 HB VAL 52 HB VAL 52 13.394 17.458 -5.767 363 HG11 VAL 52 1HG1 VAL 52 13.383 17.824 -7.985 364 HG12 VAL 52 2HG1 VAL 52 13.680 19.502 -7.528 365 HG13 VAL 52 3HG1 VAL 52 15.027 18.462 -7.991 366 HG21 VAL 52 3HG2 VAL 52 16.167 17.413 -6.701 367 HG22 VAL 52 1HG2 VAL 52 15.999 17.531 -4.949 368 HG23 VAL 52 2HG2 VAL 52 15.247 16.194 -5.819 369 H LYS 53 H LYS 53 11.971 18.528 -4.385 370 HA LYS 53 HA LYS 53 10.295 20.175 -5.877 371 HB2 LYS 53 1HB LYS 53 9.961 18.593 -3.361 372 HB3 LYS 53 2HB LYS 53 8.677 19.690 -3.853 373 HG2 LYS 53 1HG LYS 53 9.736 17.806 -5.884 374 HG3 LYS 53 2HG LYS 53 8.723 17.154 -4.594 375 HD2 LYS 53 1HD LYS 53 7.240 17.685 -6.345 376 HD3 LYS 53 2HD LYS 53 7.066 18.996 -5.175 377 HE2 LYS 53 1HE LYS 53 7.201 19.739 -7.557 378 HE3 LYS 53 2HE LYS 53 8.417 20.452 -6.497 379 HZ1 LYS 53 3HZ LYS 53 9.268 18.009 -7.757 380 HZ2 LYS 53 1HZ LYS 53 10.064 19.497 -7.633 381 HZ3 LYS 53 2HZ LYS 53 8.926 19.247 -8.858 382 H LYS 54 H LYS 54 11.913 20.743 -2.829 383 HA LYS 54 HA LYS 54 10.442 22.998 -1.996 384 HB2 LYS 54 1HB LYS 54 13.096 21.822 -1.344 385 HB3 LYS 54 2HB LYS 54 12.822 23.497 -0.884 386 HG2 LYS 54 1HG LYS 54 10.988 21.239 -0.120 387 HG3 LYS 54 2HG LYS 54 12.316 21.817 0.890 388 HD2 LYS 54 1HD LYS 54 11.250 24.116 0.714 389 HD3 LYS 54 2HD LYS 54 9.840 23.300 0.035 390 HE2 LYS 54 1HE LYS 54 9.458 23.574 2.372 391 HE3 LYS 54 2HE LYS 54 9.792 21.867 2.086 392 HZ1 LYS 54 3HZ LYS 54 11.279 22.085 3.712 393 HZ2 LYS 54 1HZ LYS 54 11.252 23.776 3.654 394 HZ3 LYS 54 2HZ LYS 54 12.242 22.909 2.592 395 H MET 55 H MET 55 13.526 22.760 -3.765 396 HA MET 55 HA MET 55 13.823 25.543 -4.152 397 HB2 MET 55 1HB MET 55 14.947 23.372 -5.922 398 HB3 MET 55 2HB MET 55 15.589 24.990 -5.673 399 HG2 MET 55 1HG MET 55 15.698 24.150 -3.163 400 HG3 MET 55 2HG MET 55 15.783 22.582 -3.962 401 HE1 MET 55 3HE MET 55 18.822 23.341 -6.428 402 HE2 MET 55 1HE MET 55 17.983 21.952 -5.736 403 HE3 MET 55 2HE MET 55 17.069 23.205 -6.577 404 H ALA 56 H ALA 56 12.367 22.990 -6.112 405 HA ALA 56 HA ALA 56 11.932 24.383 -8.470 406 HB1 ALA 56 1HB ALA 56 10.540 22.110 -7.134 407 HB2 ALA 56 2HB ALA 56 9.827 22.835 -8.575 408 HB3 ALA 56 3HB ALA 56 11.448 22.143 -8.646 409 H LYS 57 H LYS 57 9.746 24.083 -5.672 410 HA LYS 57 HA LYS 57 7.616 25.567 -6.547 411 HB2 LYS 57 1HB LYS 57 8.825 25.496 -3.778 412 HB3 LYS 57 2HB LYS 57 7.241 26.164 -4.147 413 HG2 LYS 57 1HG LYS 57 6.301 24.112 -4.500 414 HG3 LYS 57 2HG LYS 57 7.829 23.373 -4.986 415 HD2 LYS 57 1HD LYS 57 7.594 22.432 -2.918 416 HD3 LYS 57 2HD LYS 57 8.466 23.901 -2.471 417 HE2 LYS 57 1HE LYS 57 6.574 24.913 -1.604 418 HE3 LYS 57 2HE LYS 57 5.478 23.903 -2.544 419 HZ1 LYS 57 3HZ LYS 57 6.713 23.396 0.028 420 HZ2 LYS 57 1HZ LYS 57 6.690 22.074 -1.028 421 HZ3 LYS 57 2HZ LYS 57 5.243 22.838 -0.598 422 H ALA 58 H ALA 58 10.491 26.826 -4.861 423 HA ALA 58 HA ALA 58 9.865 29.499 -4.777 424 HB1 ALA 58 1HB ALA 58 11.819 28.866 -3.671 425 HB2 ALA 58 2HB ALA 58 12.489 28.087 -5.105 426 HB3 ALA 58 3HB ALA 58 12.396 29.846 -5.020 427 H ILE 59 H ILE 59 11.262 27.683 -7.478 428 HA ILE 59 HA ILE 59 11.749 29.839 -9.194 429 HB ILE 59 HB ILE 59 11.046 26.979 -9.854 430 HG12 ILE 59 1HG1 ILE 59 13.734 28.348 -9.955 431 HG13 ILE 59 2HG1 ILE 59 13.156 27.491 -8.530 432 HG21 ILE 59 1HG2 ILE 59 11.974 29.231 -11.617 433 HG22 ILE 59 2HG2 ILE 59 12.143 27.534 -12.062 434 HG23 ILE 59 3HG2 ILE 59 10.540 28.220 -11.800 435 HD11 ILE 59 3HD1 ILE 59 13.398 26.212 -11.236 436 HD12 ILE 59 1HD1 ILE 59 14.684 26.196 -10.029 437 HD13 ILE 59 2HD1 ILE 59 13.137 25.423 -9.681 438 H MET 60 H MET 60 8.921 27.671 -9.056 439 HA MET 60 HA MET 60 7.366 28.662 -11.045 440 HB2 MET 60 1HB MET 60 6.412 27.932 -8.271 441 HB3 MET 60 2HB MET 60 5.398 28.031 -9.704 442 HG2 MET 60 1HG MET 60 7.768 26.229 -9.721 443 HG3 MET 60 2HG MET 60 6.310 25.737 -8.862 444 HE1 MET 60 3HE MET 60 4.214 24.212 -11.419 445 HE2 MET 60 1HE MET 60 4.912 24.215 -9.799 446 HE3 MET 60 2HE MET 60 3.798 25.495 -10.281 447 H ALA 61 H ALA 61 7.820 30.091 -7.844 448 HA ALA 61 HA ALA 61 5.976 32.241 -8.327 449 HB1 ALA 61 1HB ALA 61 6.991 33.165 -6.203 450 HB2 ALA 61 2HB ALA 61 6.219 31.584 -6.071 451 HB3 ALA 61 3HB ALA 61 7.977 31.703 -6.147 452 H ASP 62 H ASP 62 9.513 32.152 -7.842 453 HA ASP 62 HA ASP 62 9.695 34.594 -9.481 454 HB2 ASP 62 1HB ASP 62 11.371 33.655 -7.155 455 HB3 ASP 62 2HB ASP 62 11.905 34.926 -8.251 456 HA PRO 63 HA PRO 63 11.843 31.985 -12.364 457 HB2 PRO 63 1HB PRO 63 12.525 33.958 -14.099 458 HB3 PRO 63 2HB PRO 63 10.893 33.285 -14.002 459 HG2 PRO 63 1HG PRO 63 11.975 35.809 -12.810 460 HG3 PRO 63 2HG PRO 63 10.427 35.533 -13.630 461 HD2 PRO 63 1HD PRO 63 10.649 35.635 -10.933 462 HD3 PRO 63 2HD PRO 63 9.455 34.611 -11.755 463 H ASN 64 H ASN 64 13.175 34.786 -10.764 464 HA ASN 64 HA ASN 64 15.792 34.760 -11.683 465 HB2 ASN 64 1HB ASN 64 15.195 35.266 -8.786 466 HB3 ASN 64 2HB ASN 64 16.327 36.098 -9.847 467 HD21 ASN 64 1HD2 ASN 64 14.458 37.374 -8.190 468 HD22 ASN 64 2HD2 ASN 64 13.330 38.212 -9.195 469 H LYS 65 H LYS 65 14.431 33.028 -8.886 470 HA LYS 65 HA LYS 65 16.698 31.744 -7.990 471 HB2 LYS 65 1HB LYS 65 13.803 30.945 -8.007 472 HB3 LYS 65 2HB LYS 65 15.023 29.865 -7.347 473 HG2 LYS 65 1HG LYS 65 14.914 32.694 -6.413 474 HG3 LYS 65 2HG LYS 65 13.747 31.523 -5.796 475 HD2 LYS 65 1HD LYS 65 15.459 31.366 -4.248 476 HD3 LYS 65 2HD LYS 65 15.848 30.053 -5.362 477 HE2 LYS 65 1HE LYS 65 17.660 31.150 -6.235 478 HE3 LYS 65 2HE LYS 65 16.991 32.746 -5.900 479 HZ1 LYS 65 3HZ LYS 65 17.746 31.014 -3.652 480 HZ2 LYS 65 1HZ LYS 65 17.722 32.703 -3.746 481 HZ3 LYS 65 2HZ LYS 65 18.960 31.832 -4.499 482 H ALA 66 H ALA 66 14.535 30.798 -10.621 483 HA ALA 66 HA ALA 66 15.238 28.297 -11.272 484 HB1 ALA 66 1HB ALA 66 13.754 29.788 -12.604 485 HB2 ALA 66 2HB ALA 66 15.197 30.504 -13.323 486 HB3 ALA 66 3HB ALA 66 14.840 28.796 -13.579 487 H ASP 67 H ASP 67 17.080 31.055 -12.597 488 HA ASP 67 HA ASP 67 19.159 29.794 -13.766 489 HB2 ASP 67 1HB ASP 67 19.351 32.257 -12.020 490 HB3 ASP 67 2HB ASP 67 20.573 31.746 -13.182 491 H GLU 68 H GLU 68 19.212 30.782 -10.336 492 HA GLU 68 HA GLU 68 21.604 29.502 -9.674 493 HB2 GLU 68 1HB GLU 68 20.391 31.209 -8.288 494 HB3 GLU 68 2HB GLU 68 19.261 29.947 -7.821 495 HG2 GLU 68 1HG GLU 68 20.877 30.222 -6.083 496 HG3 GLU 68 2HG GLU 68 21.146 28.666 -6.867 497 H VAL 69 H VAL 69 18.298 28.395 -8.907 498 HA VAL 69 HA VAL 69 18.783 25.945 -7.864 499 HB VAL 69 HB VAL 69 16.615 26.693 -9.824 500 HG11 VAL 69 1HG1 VAL 69 17.268 24.112 -8.593 501 HG12 VAL 69 2HG1 VAL 69 15.591 24.623 -8.390 502 HG13 VAL 69 3HG1 VAL 69 16.281 24.479 -10.007 503 HG21 VAL 69 3HG2 VAL 69 16.568 27.960 -7.760 504 HG22 VAL 69 1HG2 VAL 69 15.229 26.812 -7.787 505 HG23 VAL 69 2HG2 VAL 69 16.661 26.474 -6.815 506 H TYR 70 H TYR 70 18.185 26.411 -11.353 507 HA TYR 70 HA TYR 70 18.640 23.987 -12.377 508 HB2 TYR 70 1HB TYR 70 19.788 26.583 -13.417 509 HB3 TYR 70 2HB TYR 70 19.734 25.089 -14.346 510 HD1 TYR 70 1HD TYR 70 17.043 24.080 -13.576 511 HD2 TYR 70 2HD TYR 70 18.348 27.998 -14.600 512 HE1 TYR 70 1HE TYR 70 14.770 24.632 -14.336 513 HE2 TYR 70 2HE TYR 70 16.078 28.561 -15.362 514 HH TYR 70 HH TYR 70 14.045 27.209 -16.243 515 H LYS 71 H LYS 71 21.308 26.258 -11.707 516 HA LYS 71 HA LYS 71 23.408 24.527 -12.296 517 HB2 LYS 71 1HB LYS 71 23.118 26.982 -10.626 518 HB3 LYS 71 2HB LYS 71 24.591 26.036 -10.458 519 HG2 LYS 71 1HG LYS 71 25.228 26.412 -12.671 520 HG3 LYS 71 2HG LYS 71 23.605 26.919 -13.146 521 HD2 LYS 71 1HD LYS 71 25.164 28.465 -11.106 522 HD3 LYS 71 2HD LYS 71 25.433 28.719 -12.832 523 HE2 LYS 71 1HE LYS 71 22.720 28.875 -11.534 524 HE3 LYS 71 2HE LYS 71 23.774 30.272 -11.742 525 HZ1 LYS 71 3HZ LYS 71 23.398 30.342 -13.951 526 HZ2 LYS 71 1HZ LYS 71 21.961 29.555 -13.528 527 HZ3 LYS 71 2HZ LYS 71 23.272 28.662 -14.114 528 H LYS 72 H LYS 72 21.931 25.229 -9.131 529 HA LYS 72 HA LYS 72 23.444 23.598 -7.522 530 HB2 LYS 72 1HB LYS 72 20.507 24.267 -7.411 531 HB3 LYS 72 2HB LYS 72 21.306 23.334 -6.152 532 HG2 LYS 72 1HG LYS 72 22.861 25.218 -5.792 533 HG3 LYS 72 2HG LYS 72 21.959 26.152 -6.988 534 HD2 LYS 72 1HD LYS 72 20.132 26.399 -5.616 535 HD3 LYS 72 2HD LYS 72 20.478 24.922 -4.712 536 HE2 LYS 72 1HE LYS 72 22.056 27.489 -4.546 537 HE3 LYS 72 2HE LYS 72 20.853 26.953 -3.373 538 HZ1 LYS 72 3HZ LYS 72 23.588 26.180 -3.641 539 HZ2 LYS 72 1HZ LYS 72 22.561 24.836 -3.612 540 HZ3 LYS 72 2HZ LYS 72 22.529 25.953 -2.342 541 H TRP 73 H TRP 73 20.347 22.646 -9.022 542 HA TRP 73 HA TRP 73 20.369 19.978 -8.324 543 HB2 TRP 73 1HB TRP 73 19.254 21.380 -10.749 544 HB3 TRP 73 2HB TRP 73 19.014 19.657 -10.474 545 HD1 TRP 73 HD TRP 73 18.650 20.157 -7.194 546 HE1 TRP 73 1HE TRP 73 16.342 20.984 -6.410 547 HE3 TRP 73 3HE TRP 73 16.907 22.019 -11.625 548 HZ2 TRP 73 2HZ TRP 73 14.081 22.256 -7.523 549 HZ3 TRP 73 3HZ TRP 73 14.662 23.024 -11.680 550 HH2 TRP 73 HH TRP 73 13.279 23.138 -9.671 551 H ALA 74 H ALA 74 21.892 21.536 -11.112 552 HA ALA 74 HA ALA 74 22.767 19.214 -12.419 553 HB1 ALA 74 1HB ALA 74 23.605 20.652 -13.901 554 HB2 ALA 74 2HB ALA 74 22.920 21.926 -12.892 555 HB3 ALA 74 3HB ALA 74 24.605 21.448 -12.685 556 H ASP 75 H ASP 75 24.150 21.069 -9.778 557 HA ASP 75 HA ASP 75 26.682 19.754 -9.795 558 HB2 ASP 75 1HB ASP 75 26.228 22.014 -8.786 559 HB3 ASP 75 2HB ASP 75 25.379 21.193 -7.479 560 H LYS 76 H LYS 76 23.846 19.490 -7.652 561 HA LYS 76 HA LYS 76 24.600 17.574 -5.909 562 HB2 LYS 76 1HB LYS 76 22.005 18.098 -7.289 563 HB3 LYS 76 2HB LYS 76 22.149 16.651 -6.299 564 HG2 LYS 76 1HG LYS 76 21.238 18.309 -4.903 565 HG3 LYS 76 2HG LYS 76 22.932 18.160 -4.431 566 HD2 LYS 76 1HD LYS 76 23.500 20.138 -5.698 567 HD3 LYS 76 2HD LYS 76 21.852 20.252 -6.319 568 HE2 LYS 76 1HE LYS 76 21.955 21.820 -4.576 569 HE3 LYS 76 2HE LYS 76 21.121 20.428 -3.887 570 HZ1 LYS 76 3HZ LYS 76 23.978 21.139 -3.504 571 HZ2 LYS 76 1HZ LYS 76 23.254 19.725 -2.922 572 HZ3 LYS 76 2HZ LYS 76 22.751 21.232 -2.343 573 H GLY 77 H GLY 77 23.696 17.040 -9.282 574 HA2 GLY 77 1HA GLY 77 24.860 15.293 -10.506 575 HA3 GLY 77 2HA GLY 77 24.816 14.320 -9.043 576 H TYR 78 H TYR 78 22.342 16.128 -10.865 577 HA TYR 78 HA TYR 78 20.708 13.679 -10.855 578 HB2 TYR 78 1HB TYR 78 19.810 16.560 -11.067 579 HB3 TYR 78 2HB TYR 78 18.752 15.154 -11.051 580 HD1 TYR 78 1HD TYR 78 19.873 13.519 -8.909 581 HD2 TYR 78 2HD TYR 78 19.362 17.738 -9.118 582 HE1 TYR 78 1HE TYR 78 19.768 13.622 -6.454 583 HE2 TYR 78 2HE TYR 78 19.257 17.853 -6.663 584 HH TYR 78 HH TYR 78 19.808 16.643 -4.738 585 H THR 79 H THR 79 18.958 13.907 -12.731 586 HA THR 79 HA THR 79 19.931 15.038 -15.180 587 HB THR 79 HB THR 79 21.350 12.998 -14.989 588 HG1 THR 79 1HG THR 79 20.325 13.927 -17.048 589 HG21 THR 79 3HG2 THR 79 18.733 11.519 -15.280 590 HG22 THR 79 1HG2 THR 79 19.702 11.585 -13.809 591 HG23 THR 79 2HG2 THR 79 20.345 10.803 -15.253 592 H LEU 80 H LEU 80 18.466 14.664 -16.984 593 HA LEU 80 HA LEU 80 15.878 15.157 -16.598 594 HB2 LEU 80 1HB LEU 80 16.778 13.168 -18.671 595 HB3 LEU 80 2HB LEU 80 15.366 14.220 -18.746 596 HG LEU 80 HG LEU 80 18.236 15.150 -18.815 597 HD11 LEU 80 1HD1 LEU 80 16.493 14.123 -20.870 598 HD12 LEU 80 2HD1 LEU 80 18.196 14.570 -20.957 599 HD13 LEU 80 3HD1 LEU 80 16.951 15.795 -21.196 600 HD21 LEU 80 3HD2 LEU 80 16.011 16.555 -18.037 601 HD22 LEU 80 1HD2 LEU 80 16.133 16.938 -19.754 602 HD23 LEU 80 2HD2 LEU 80 17.497 17.254 -18.681 603 H THR 81 H THR 81 17.251 11.887 -16.605 604 HA THR 81 HA THR 81 14.869 10.465 -16.252 605 HB THR 81 HB THR 81 17.564 9.679 -15.134 606 HG1 THR 81 1HG THR 81 18.152 9.626 -17.161 607 HG21 THR 81 3HG2 THR 81 15.994 7.552 -16.251 608 HG22 THR 81 1HG2 THR 81 15.047 8.425 -15.047 609 HG23 THR 81 2HG2 THR 81 16.610 7.735 -14.609 610 H GLN 82 H GLN 82 17.190 11.635 -13.818 611 HA GLN 82 HA GLN 82 15.526 10.800 -11.630 612 HB2 GLN 82 1HB GLN 82 18.055 12.431 -11.802 613 HB3 GLN 82 2HB GLN 82 17.218 12.153 -10.281 614 HG2 GLN 82 1HG GLN 82 17.510 9.758 -10.530 615 HG3 GLN 82 2HG GLN 82 18.294 10.002 -12.091 616 HE21 GLN 82 1HE2 GLN 82 18.945 9.198 -9.071 617 HE22 GLN 82 2HE2 GLN 82 20.522 9.875 -8.877 618 H MET 83 H MET 83 16.678 14.017 -12.669 619 HA MET 83 HA MET 83 15.317 15.699 -11.111 620 HB2 MET 83 1HB MET 83 16.698 16.435 -13.000 621 HB3 MET 83 2HB MET 83 15.442 15.930 -14.123 622 HG2 MET 83 1HG MET 83 15.473 18.357 -13.731 623 HG3 MET 83 2HG MET 83 13.943 17.603 -13.289 624 HE1 MET 83 3HE MET 83 17.363 18.879 -12.007 625 HE2 MET 83 1HE MET 83 17.142 18.962 -10.259 626 HE3 MET 83 2HE MET 83 17.252 17.395 -11.060 627 H SER 84 H SER 84 13.855 14.314 -14.057 628 HA SER 84 HA SER 84 11.302 15.338 -13.747 629 HB2 SER 84 1HB SER 84 10.554 13.608 -15.253 630 HB3 SER 84 2HB SER 84 12.168 14.110 -15.756 631 HG SER 84 HG SER 84 11.818 11.791 -15.662 632 H ASN 85 H ASN 85 12.512 12.171 -12.648 633 HA ASN 85 HA ASN 85 10.229 11.212 -11.441 634 HB2 ASN 85 1HB ASN 85 13.135 10.863 -10.706 635 HB3 ASN 85 2HB ASN 85 11.843 10.000 -9.876 636 HD21 ASN 85 1HD2 ASN 85 13.766 8.582 -11.118 637 HD22 ASN 85 2HD2 ASN 85 13.139 7.826 -12.540 638 H PHE 86 H PHE 86 12.257 13.810 -10.444 639 HA PHE 86 HA PHE 86 11.159 13.838 -7.742 640 HB2 PHE 86 1HB PHE 86 13.179 15.673 -9.049 641 HB3 PHE 86 2HB PHE 86 12.723 15.695 -7.349 642 HD1 PHE 86 1HD PHE 86 12.679 12.876 -6.647 643 HD2 PHE 86 2HD PHE 86 15.390 15.022 -9.129 644 HE1 PHE 86 1HE PHE 86 14.433 11.222 -6.155 645 HE2 PHE 86 2HE PHE 86 17.148 13.371 -8.642 646 HZ PHE 86 HZ PHE 86 16.671 11.468 -7.154 647 H LEU 87 H LEU 87 10.913 15.529 -10.783 648 HA LEU 87 HA LEU 87 9.105 17.505 -9.587 649 HB2 LEU 87 1HB LEU 87 10.180 17.465 -12.397 650 HB3 LEU 87 2HB LEU 87 9.393 18.805 -11.566 651 HG LEU 87 HG LEU 87 12.099 17.673 -10.859 652 HD11 LEU 87 1HD1 LEU 87 11.284 20.093 -12.449 653 HD12 LEU 87 2HD1 LEU 87 12.308 18.752 -12.959 654 HD13 LEU 87 3HD1 LEU 87 12.888 19.891 -11.744 655 HD21 LEU 87 3HD2 LEU 87 10.452 19.936 -9.772 656 HD22 LEU 87 1HD2 LEU 87 12.205 19.880 -9.584 657 HD23 LEU 87 2HD2 LEU 87 11.203 18.599 -8.900 658 H LYS 88 H LYS 88 8.298 14.762 -9.947 659 HA LYS 88 HA LYS 88 6.500 14.770 -12.230 660 HB2 LYS 88 1HB LYS 88 5.915 12.496 -11.499 661 HB3 LYS 88 2HB LYS 88 7.654 12.696 -11.673 662 HG2 LYS 88 1HG LYS 88 8.031 12.589 -9.404 663 HG3 LYS 88 2HG LYS 88 6.385 13.082 -9.001 664 HD2 LYS 88 1HD LYS 88 6.235 10.856 -8.520 665 HD3 LYS 88 2HD LYS 88 5.799 10.808 -10.229 666 HE2 LYS 88 1HE LYS 88 7.384 9.163 -10.181 667 HE3 LYS 88 2HE LYS 88 8.405 10.556 -10.534 668 HZ1 LYS 88 3HZ LYS 88 7.926 9.794 -7.736 669 HZ2 LYS 88 1HZ LYS 88 9.257 10.582 -8.420 670 HZ3 LYS 88 2HZ LYS 88 9.050 8.919 -8.649 671 H SER 89 H SER 89 6.368 15.040 -8.728 672 HA SER 89 HA SER 89 4.597 15.316 -7.285 673 HB2 SER 89 1HB SER 89 5.059 17.580 -8.290 674 HB3 SER 89 2HB SER 89 3.732 17.284 -9.413 675 HG SER 89 HG SER 89 2.314 17.225 -7.697 676 H LYS 90 H LYS 90 4.172 13.187 -9.189 677 HA LYS 90 HA LYS 90 2.524 11.920 -10.161 678 HB2 LYS 90 1HB LYS 90 1.461 12.858 -7.527 679 HB3 LYS 90 2HB LYS 90 0.418 11.909 -8.578 680 HG2 LYS 90 1HG LYS 90 1.662 10.009 -8.332 681 HG3 LYS 90 2HG LYS 90 3.155 10.896 -8.017 682 HD2 LYS 90 1HD LYS 90 2.406 11.461 -5.796 683 HD3 LYS 90 2HD LYS 90 0.824 10.741 -6.107 684 HE2 LYS 90 1HE LYS 90 1.757 8.553 -6.220 685 HE3 LYS 90 2HE LYS 90 3.402 9.188 -6.224 686 HZ1 LYS 90 3HZ LYS 90 3.211 9.835 -3.981 687 HZ2 LYS 90 1HZ LYS 90 2.586 8.264 -4.054 688 HZ3 LYS 90 2HZ LYS 90 1.538 9.588 -3.956 689 H THR 91 H THR 91 2.625 14.376 -11.408 690 HA THR 91 HA THR 91 -0.213 14.805 -12.050 691 HB THR 91 HB THR 91 1.756 17.079 -12.113 692 HG1 THR 91 1HG THR 91 1.753 16.813 -9.985 693 HG21 THR 91 3HG2 THR 91 0.005 18.307 -12.764 694 HG22 THR 91 1HG2 THR 91 -1.025 17.644 -11.496 695 HG23 THR 91 2HG2 THR 91 -0.846 16.785 -13.026 696 H ALA 92 H ALA 92 2.078 13.273 -13.266 697 HA ALA 92 HA ALA 92 3.046 12.900 -15.304 698 HB1 ALA 92 1HB ALA 92 1.491 12.558 -16.902 699 HB2 ALA 92 2HB ALA 92 0.373 12.925 -15.588 700 HB3 ALA 92 3HB ALA 92 0.815 14.180 -16.745 701 H GLY 93 H GLY 93 3.532 15.557 -14.039 702 HA2 GLY 93 1HA GLY 93 5.326 16.868 -15.241 703 HA3 GLY 93 2HA GLY 93 4.107 17.115 -16.482 704 H LYS 94 H LYS 94 4.409 17.481 -12.946 705 HA LYS 94 HA LYS 94 2.524 19.616 -12.844 706 HB2 LYS 94 1HB LYS 94 2.767 18.304 -10.879 707 HB3 LYS 94 2HB LYS 94 4.513 18.520 -10.862 708 HG2 LYS 94 1HG LYS 94 3.774 19.919 -9.170 709 HG3 LYS 94 2HG LYS 94 3.995 21.015 -10.536 710 HD2 LYS 94 1HD LYS 94 1.668 21.118 -10.951 711 HD3 LYS 94 2HD LYS 94 1.344 19.746 -9.888 712 HE2 LYS 94 1HE LYS 94 0.746 21.458 -8.501 713 HE3 LYS 94 2HE LYS 94 2.456 21.330 -8.091 714 HZ1 LYS 94 3HZ LYS 94 1.548 23.162 -10.217 715 HZ2 LYS 94 1HZ LYS 94 2.972 23.217 -9.306 716 HZ3 LYS 94 2HZ LYS 94 1.495 23.631 -8.593 717 H TYR 95 H TYR 95 6.068 19.478 -12.583 718 HA TYR 95 HA TYR 95 6.154 22.396 -12.906 719 HB2 TYR 95 1HB TYR 95 8.163 20.414 -11.842 720 HB3 TYR 95 2HB TYR 95 8.591 22.079 -12.223 721 HD1 TYR 95 2HD TYR 95 5.858 20.310 -10.372 722 HD2 TYR 95 1HD TYR 95 8.672 23.501 -10.420 723 HE1 TYR 95 2HE TYR 95 5.091 21.011 -8.143 724 HE2 TYR 95 1HE TYR 95 7.914 24.211 -8.190 725 HH TYR 95 HH TYR 95 5.696 22.286 -6.305 726 H ASP 96 H ASP 96 5.552 21.818 -15.221 727 HA ASP 96 HA ASP 96 7.545 20.647 -16.896 728 HB2 ASP 96 1HB ASP 96 4.977 20.905 -17.290 729 HB3 ASP 96 2HB ASP 96 5.412 22.490 -17.924 730 H ARG 97 H ARG 97 6.506 23.983 -16.259 731 HA ARG 97 HA ARG 97 8.200 25.281 -18.048 732 HB2 ARG 97 1HB ARG 97 6.401 26.452 -16.919 733 HB3 ARG 97 2HB ARG 97 7.174 26.201 -15.359 734 HG2 ARG 97 1HG ARG 97 8.968 27.670 -15.935 735 HG3 ARG 97 2HG ARG 97 8.394 27.796 -17.599 736 HD2 ARG 97 1HD ARG 97 6.423 28.962 -16.895 737 HD3 ARG 97 2HD ARG 97 6.802 28.677 -15.197 738 HE ARG 97 HE ARG 97 8.951 30.058 -16.217 739 HH11 ARG 97 2HH1 ARG 97 5.526 30.597 -15.901 740 HH12 ARG 97 1HH1 ARG 97 5.677 32.319 -15.776 741 HH21 ARG 97 2HH2 ARG 97 9.162 32.323 -16.052 742 HH22 ARG 97 1HH2 ARG 97 7.745 33.299 -15.863 743 H VAL 98 H VAL 98 8.742 24.505 -14.616 744 HA VAL 98 HA VAL 98 11.360 25.555 -14.493 745 HB VAL 98 HB VAL 98 10.171 23.358 -12.794 746 HG11 VAL 98 1HG1 VAL 98 12.674 24.943 -12.669 747 HG12 VAL 98 2HG1 VAL 98 11.841 24.612 -11.149 748 HG13 VAL 98 3HG1 VAL 98 12.360 23.278 -12.180 749 HG21 VAL 98 3HG2 VAL 98 10.148 26.351 -12.406 750 HG22 VAL 98 1HG2 VAL 98 8.755 25.330 -12.764 751 HG23 VAL 98 2HG2 VAL 98 9.597 25.163 -11.224 752 H TYR 99 H TYR 99 10.152 22.258 -15.024 753 HA TYR 99 HA TYR 99 12.591 20.927 -15.109 754 HB2 TYR 99 1HB TYR 99 10.464 19.739 -15.061 755 HB3 TYR 99 2HB TYR 99 10.060 20.348 -16.662 756 HD1 TYR 99 1HD TYR 99 12.869 18.503 -15.012 757 HD2 TYR 99 2HD TYR 99 10.340 18.881 -18.413 758 HE1 TYR 99 1HE TYR 99 13.946 16.537 -16.023 759 HE2 TYR 99 2HE TYR 99 11.409 16.915 -19.433 760 HH TYR 99 HH TYR 99 13.861 15.047 -17.694 761 H ASN 100 H ASN 100 10.819 22.563 -17.705 762 HA ASN 100 HA ASN 100 12.276 21.877 -19.909 763 HB2 ASN 100 1HB ASN 100 10.848 24.367 -19.099 764 HB3 ASN 100 2HB ASN 100 11.866 24.431 -20.535 765 HD21 ASN 100 1HD2 ASN 100 9.086 24.789 -20.534 766 HD22 ASN 100 2HD2 ASN 100 8.374 23.496 -21.432 767 H GLY 101 H GLY 101 12.991 24.690 -17.826 768 HA2 GLY 101 1HA GLY 101 15.296 25.592 -18.973 769 HA3 GLY 101 2HA GLY 101 15.017 25.620 -17.239 770 H TYR 102 H TYR 102 15.285 23.252 -16.279 771 HA TYR 102 HA TYR 102 17.937 22.657 -16.161 772 HB2 TYR 102 1HB TYR 102 16.133 21.719 -14.692 773 HB3 TYR 102 2HB TYR 102 15.757 20.571 -15.972 774 HD1 TYR 102 1HD TYR 102 18.845 21.779 -14.231 775 HD2 TYR 102 2HD TYR 102 16.585 18.456 -15.626 776 HE1 TYR 102 1HE TYR 102 20.563 20.252 -13.357 777 HE2 TYR 102 2HE TYR 102 18.296 16.919 -14.754 778 HH TYR 102 HH TYR 102 20.069 16.924 -13.030 779 H VAL 103 H VAL 103 15.581 20.907 -18.189 780 HA VAL 103 HA VAL 103 17.090 19.092 -19.467 781 HB VAL 103 HB VAL 103 15.128 20.942 -20.830 782 HG11 VAL 103 1HG1 VAL 103 15.482 19.852 -22.733 783 HG12 VAL 103 2HG1 VAL 103 16.854 19.045 -21.970 784 HG13 VAL 103 3HG1 VAL 103 15.256 18.297 -21.934 785 HG21 VAL 103 3HG2 VAL 103 14.849 18.636 -19.033 786 HG22 VAL 103 1HG2 VAL 103 13.719 19.941 -19.393 787 HG23 VAL 103 2HG2 VAL 103 13.857 18.567 -20.489 788 H ILE 104 H ILE 104 16.847 22.483 -20.545 789 HA ILE 104 HA ILE 104 18.838 22.227 -22.548 790 HB ILE 104 HB ILE 104 17.794 24.704 -21.172 791 HG12 ILE 104 1HG1 ILE 104 17.109 23.922 -23.971 792 HG13 ILE 104 2HG1 ILE 104 16.313 23.073 -22.651 793 HG21 ILE 104 1HG2 ILE 104 19.608 24.335 -23.534 794 HG22 ILE 104 2HG2 ILE 104 18.651 25.799 -23.313 795 HG23 ILE 104 3HG2 ILE 104 19.848 25.338 -22.104 796 HD11 ILE 104 3HD1 ILE 104 16.293 26.047 -23.101 797 HD12 ILE 104 1HD1 ILE 104 14.972 24.932 -23.445 798 HD13 ILE 104 2HD1 ILE 104 15.492 25.197 -21.781 799 H HIS 105 H HIS 105 18.901 23.659 -19.290 800 HA HIS 105 HA HIS 105 21.378 24.665 -19.070 801 HB2 HIS 105 1HB HIS 105 19.767 24.496 -17.197 802 HB3 HIS 105 2HB HIS 105 20.161 22.788 -17.033 803 HD1 HIS 105 1HD HIS 105 21.831 26.178 -16.732 804 HD2 HIS 105 2HD HIS 105 22.283 22.267 -15.405 805 HE1 HIS 105 1HE HIS 105 23.707 26.249 -15.058 806 HE2 HIS 105 2HE HIS 105 24.019 23.857 -14.333 807 H LEU 106 H LEU 106 20.718 21.210 -18.460 808 HA LEU 106 HA LEU 106 23.342 20.368 -18.190 809 HB2 LEU 106 1HB LEU 106 20.808 19.047 -19.019 810 HB3 LEU 106 2HB LEU 106 22.321 18.168 -19.231 811 HG LEU 106 HG LEU 106 21.291 19.252 -16.610 812 HD11 LEU 106 1HD1 LEU 106 20.501 17.159 -16.083 813 HD12 LEU 106 2HD1 LEU 106 21.525 16.353 -17.269 814 HD13 LEU 106 3HD1 LEU 106 20.105 17.254 -17.799 815 HD21 LEU 106 3HD2 LEU 106 23.149 17.367 -16.021 816 HD22 LEU 106 1HD2 LEU 106 23.471 19.100 -16.089 817 HD23 LEU 106 2HD2 LEU 106 23.840 18.079 -17.479 818 H ASP 107 H ASP 107 21.433 20.854 -21.109 819 HA ASP 107 HA ASP 107 22.788 19.640 -23.081 820 HB2 ASP 107 1HB ASP 107 20.884 21.319 -23.295 821 HB3 ASP 107 2HB ASP 107 22.120 22.574 -23.299 822 H TYR 108 H TYR 108 23.951 22.372 -21.217 823 HA TYR 108 HA TYR 108 26.015 23.391 -22.604 824 HB2 TYR 108 1HB TYR 108 26.949 24.068 -20.602 825 HB3 TYR 108 2HB TYR 108 25.310 23.683 -20.090 826 HD1 TYR 108 1HD TYR 108 24.868 21.525 -18.912 827 HD2 TYR 108 2HD TYR 108 28.815 22.868 -19.756 828 HE1 TYR 108 1HE TYR 108 25.753 19.952 -17.241 829 HE2 TYR 108 2HE TYR 108 29.712 21.298 -18.088 830 HH TYR 108 HH TYR 108 28.452 18.803 -17.045 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -57.152 -7.485 -30.533 2 HA2 GLY 1 1HA GLY 1 -56.526 -8.918 -28.814 3 HA3 GLY 1 2HA GLY 1 -55.082 -9.333 -29.724 4 H SER 2 H SER 2 -55.448 -8.638 -26.871 5 HA SER 2 HA SER 2 -53.144 -7.004 -26.579 6 HB2 SER 2 1HB SER 2 -54.198 -5.106 -25.402 7 HB3 SER 2 2HB SER 2 -54.726 -5.202 -27.081 8 HG SER 2 HG SER 2 -56.229 -5.184 -24.914 9 H SER 3 H SER 3 -52.688 -6.543 -24.239 10 HA SER 3 HA SER 3 -54.158 -7.916 -22.221 11 HB2 SER 3 1HB SER 3 -52.810 -9.713 -23.611 12 HB3 SER 3 2HB SER 3 -51.459 -9.141 -22.631 13 HG SER 3 HG SER 3 -52.397 -9.908 -20.851 14 H GLY 4 H GLY 4 -53.608 -7.200 -20.219 15 HA2 GLY 4 1HA GLY 4 -51.458 -5.207 -20.114 16 HA3 GLY 4 2HA GLY 4 -52.788 -5.349 -18.975 17 H SER 5 H SER 5 -50.434 -5.011 -17.847 18 HA SER 5 HA SER 5 -50.079 -7.332 -16.274 19 HB2 SER 5 1HB SER 5 -48.803 -7.767 -18.546 20 HB3 SER 5 2HB SER 5 -47.576 -6.741 -17.805 21 HG SER 5 HG SER 5 -47.756 -8.218 -15.953 22 H SER 6 H SER 6 -49.706 -6.495 -14.343 23 HA SER 6 HA SER 6 -47.855 -4.217 -14.120 24 HB2 SER 6 1HB SER 6 -50.163 -3.400 -13.883 25 HB3 SER 6 2HB SER 6 -50.448 -4.567 -12.592 26 HG SER 6 HG SER 6 -49.881 -2.795 -11.502 27 H GLY 7 H GLY 7 -46.758 -4.031 -12.082 28 HA2 GLY 7 1HA GLY 7 -46.957 -5.717 -9.906 29 HA3 GLY 7 2HA GLY 7 -45.926 -6.558 -11.054 30 H ASN 8 H ASN 8 -45.110 -5.700 -8.486 31 HA ASN 8 HA ASN 8 -42.859 -4.031 -9.264 32 HB2 ASN 8 1HB ASN 8 -44.653 -2.488 -8.407 33 HB3 ASN 8 2HB ASN 8 -44.531 -3.307 -6.852 34 HD21 ASN 8 1HD2 ASN 8 -42.846 -1.309 -9.174 35 HD22 ASN 8 2HD2 ASN 8 -41.666 -0.691 -8.074 36 H VAL 9 H VAL 9 -41.283 -3.840 -7.358 37 HA VAL 9 HA VAL 9 -41.407 -6.128 -5.545 38 HB VAL 9 HB VAL 9 -39.072 -5.641 -7.399 39 HG11 VAL 9 1HG1 VAL 9 -39.328 -7.076 -4.871 40 HG12 VAL 9 2HG1 VAL 9 -38.673 -8.064 -6.179 41 HG13 VAL 9 3HG1 VAL 9 -37.884 -6.550 -5.736 42 HG21 VAL 9 3HG2 VAL 9 -40.502 -6.792 -8.756 43 HG22 VAL 9 1HG2 VAL 9 -39.751 -8.149 -7.915 44 HG23 VAL 9 2HG2 VAL 9 -41.336 -7.565 -7.408 45 H ASP 10 H ASP 10 -40.327 -5.833 -3.634 46 HA ASP 10 HA ASP 10 -38.950 -3.248 -3.296 47 HB2 ASP 10 1HB ASP 10 -40.383 -4.620 -1.042 48 HB3 ASP 10 2HB ASP 10 -39.956 -2.920 -1.212 49 H SER 11 H SER 11 -37.665 -3.327 -1.097 50 HA SER 11 HA SER 11 -36.453 -5.891 -0.539 51 HB2 SER 11 1HB SER 11 -35.047 -3.757 -2.099 52 HB3 SER 11 2HB SER 11 -34.120 -4.747 -0.973 53 HG SER 11 HG SER 11 -34.875 -5.367 -3.422 54 H ASN 12 H ASN 12 -34.408 -5.394 0.965 55 HA ASN 12 HA ASN 12 -34.829 -3.085 2.668 56 HB2 ASN 12 1HB ASN 12 -35.357 -4.242 4.653 57 HB3 ASN 12 2HB ASN 12 -36.400 -4.965 3.432 58 HD21 ASN 12 1HD2 ASN 12 -36.308 -7.091 3.112 59 HD22 ASN 12 2HD2 ASN 12 -35.152 -8.155 3.831 60 H GLN 13 H GLN 13 -33.243 -3.271 4.627 61 HA GLN 13 HA GLN 13 -30.822 -4.748 4.004 62 HB2 GLN 13 1HB GLN 13 -30.642 -2.625 2.719 63 HB3 GLN 13 2HB GLN 13 -30.781 -1.734 4.229 64 HG2 GLN 13 1HG GLN 13 -28.723 -2.766 5.034 65 HG3 GLN 13 2HG GLN 13 -28.585 -3.668 3.526 66 HE21 GLN 13 1HE2 GLN 13 -28.027 -0.706 5.124 67 HE22 GLN 13 2HE2 GLN 13 -27.325 0.145 3.795 68 H ASN 14 H ASN 14 -29.185 -4.545 5.731 69 HA ASN 14 HA ASN 14 -30.064 -3.454 8.263 70 HB2 ASN 14 1HB ASN 14 -29.735 -5.699 9.410 71 HB3 ASN 14 2HB ASN 14 -31.202 -5.532 8.450 72 HD21 ASN 14 1HD2 ASN 14 -27.810 -6.432 7.901 73 HD22 ASN 14 2HD2 ASN 14 -28.161 -7.841 6.964 74 H LYS 15 H LYS 15 -28.398 -3.746 9.969 75 HA LYS 15 HA LYS 15 -25.724 -3.696 8.754 76 HB2 LYS 15 1HB LYS 15 -26.708 -2.562 11.379 77 HB3 LYS 15 2HB LYS 15 -25.049 -2.467 10.803 78 HG2 LYS 15 1HG LYS 15 -27.288 -1.387 9.143 79 HG3 LYS 15 2HG LYS 15 -26.621 -0.445 10.479 80 HD2 LYS 15 1HD LYS 15 -24.734 -1.653 8.520 81 HD3 LYS 15 2HD LYS 15 -25.664 -0.237 8.024 82 HE2 LYS 15 1HE LYS 15 -24.797 1.037 9.875 83 HE3 LYS 15 2HE LYS 15 -23.986 -0.387 10.525 84 HZ1 LYS 15 3HZ LYS 15 -23.192 1.364 8.358 85 HZ2 LYS 15 1HZ LYS 15 -22.959 -0.286 8.066 86 HZ3 LYS 15 2HZ LYS 15 -22.241 0.444 9.412 87 H ALA 16 H ALA 16 -24.956 -5.740 8.810 88 HA ALA 16 HA ALA 16 -25.206 -7.281 11.291 89 HB1 ALA 16 1HB ALA 16 -25.609 -8.942 9.872 90 HB2 ALA 16 2HB ALA 16 -25.125 -7.960 8.489 91 HB3 ALA 16 3HB ALA 16 -23.912 -8.862 9.398 92 H SER 17 H SER 17 -22.765 -6.145 8.980 93 HA SER 17 HA SER 17 -20.487 -6.008 9.113 94 HB2 SER 17 1HB SER 17 -19.683 -4.747 10.953 95 HB3 SER 17 2HB SER 17 -21.358 -4.240 10.742 96 HG SER 17 HG SER 17 -20.470 -6.202 12.593 97 H MET 18 H MET 18 -21.540 -8.637 9.531 98 HA MET 18 HA MET 18 -20.040 -9.833 11.691 99 HB2 MET 18 1HB MET 18 -21.010 -11.920 10.983 100 HB3 MET 18 2HB MET 18 -22.266 -10.689 10.976 101 HG2 MET 18 1HG MET 18 -21.739 -10.442 8.483 102 HG3 MET 18 2HG MET 18 -20.888 -11.975 8.652 103 HE1 MET 18 3HE MET 18 -22.545 -13.863 10.472 104 HE2 MET 18 1HE MET 18 -23.576 -14.573 9.230 105 HE3 MET 18 2HE MET 18 -21.890 -14.201 8.869 106 H LEU 19 H LEU 19 -18.460 -11.534 11.354 107 HA LEU 19 HA LEU 19 -17.202 -11.815 8.787 108 HB2 LEU 19 1HB LEU 19 -15.093 -10.852 9.307 109 HB3 LEU 19 2HB LEU 19 -16.330 -9.637 9.618 110 HG LEU 19 HG LEU 19 -15.244 -11.309 11.854 111 HD11 LEU 19 1HD1 LEU 19 -13.210 -10.506 11.210 112 HD12 LEU 19 2HD1 LEU 19 -13.777 -9.135 12.164 113 HD13 LEU 19 3HD1 LEU 19 -13.896 -9.094 10.405 114 HD21 LEU 19 3HD2 LEU 19 -16.793 -8.794 11.533 115 HD22 LEU 19 1HD2 LEU 19 -15.700 -8.927 12.910 116 HD23 LEU 19 2HD2 LEU 19 -16.992 -10.108 12.693 117 H GLN 20 H GLN 20 -16.043 -13.674 8.652 118 HA GLN 20 HA GLN 20 -14.837 -14.971 10.865 119 HB2 GLN 20 1HB GLN 20 -16.324 -16.961 10.933 120 HB3 GLN 20 2HB GLN 20 -17.095 -15.495 11.526 121 HG2 GLN 20 1HG GLN 20 -18.769 -16.297 10.227 122 HG3 GLN 20 2HG GLN 20 -17.913 -15.333 9.025 123 HE21 GLN 20 1HE2 GLN 20 -19.077 -16.799 7.559 124 HE22 GLN 20 2HE2 GLN 20 -18.344 -18.312 7.162 125 H ALA 21 H ALA 21 -13.287 -16.283 10.124 126 HA ALA 21 HA ALA 21 -13.587 -17.488 7.466 127 HB1 ALA 21 1HB ALA 21 -12.272 -15.309 7.399 128 HB2 ALA 21 2HB ALA 21 -11.013 -16.174 8.281 129 HB3 ALA 21 3HB ALA 21 -11.509 -16.729 6.682 130 H ARG 22 H ARG 22 -13.518 -19.602 7.880 131 HA ARG 22 HA ARG 22 -11.344 -20.603 9.596 132 HB2 ARG 22 1HB ARG 22 -14.253 -21.264 9.614 133 HB3 ARG 22 2HB ARG 22 -13.107 -22.552 9.962 134 HG2 ARG 22 1HG ARG 22 -12.121 -21.020 11.716 135 HG3 ARG 22 2HG ARG 22 -13.537 -19.995 11.474 136 HD2 ARG 22 1HD ARG 22 -15.009 -21.749 12.154 137 HD3 ARG 22 2HD ARG 22 -13.693 -22.922 12.166 138 HE ARG 22 HE ARG 22 -13.000 -20.919 13.952 139 HH11 ARG 22 2HH1 ARG 22 -15.514 -23.300 13.593 140 HH12 ARG 22 1HH1 ARG 22 -15.776 -23.470 15.298 141 HH21 ARG 22 2HH2 ARG 22 -13.335 -21.134 16.198 142 HH22 ARG 22 1HH2 ARG 22 -14.537 -22.237 16.778 143 H LEU 23 H LEU 23 -11.261 -20.267 6.770 144 HA LEU 23 HA LEU 23 -10.376 -22.853 6.004 145 HB2 LEU 23 1HB LEU 23 -11.917 -23.279 4.185 146 HB3 LEU 23 2HB LEU 23 -12.774 -23.216 5.724 147 HG LEU 23 HG LEU 23 -13.166 -20.698 4.951 148 HD11 LEU 23 1HD1 LEU 23 -13.605 -20.634 2.534 149 HD12 LEU 23 2HD1 LEU 23 -12.886 -22.236 2.373 150 HD13 LEU 23 3HD1 LEU 23 -11.896 -20.874 2.898 151 HD21 LEU 23 3HD2 LEU 23 -15.333 -21.309 4.628 152 HD22 LEU 23 1HD2 LEU 23 -14.734 -22.802 5.352 153 HD23 LEU 23 2HD2 LEU 23 -14.912 -22.681 3.601 154 H ASN 24 H ASN 24 -9.159 -22.825 4.099 155 HA ASN 24 HA ASN 24 -8.729 -20.142 2.958 156 HB2 ASN 24 1HB ASN 24 -6.868 -21.311 4.366 157 HB3 ASN 24 2HB ASN 24 -6.626 -22.284 2.918 158 HD21 ASN 24 1HD2 ASN 24 -4.509 -21.358 2.851 159 HD22 ASN 24 2HD2 ASN 24 -4.272 -19.786 2.174 160 H ASP 25 H ASP 25 -9.313 -19.945 0.909 161 HA ASP 25 HA ASP 25 -9.196 -22.325 -0.826 162 HB2 ASP 25 1HB ASP 25 -11.352 -20.301 -0.446 163 HB3 ASP 25 2HB ASP 25 -11.098 -20.939 -2.069 164 H GLU 26 H GLU 26 -9.174 -18.770 -0.785 165 HA GLU 26 HA GLU 26 -8.170 -18.513 -3.433 166 HB2 GLU 26 1HB GLU 26 -8.353 -16.616 -1.101 167 HB3 GLU 26 2HB GLU 26 -7.620 -16.143 -2.627 168 HG2 GLU 26 1HG GLU 26 -9.632 -16.294 -3.785 169 HG3 GLU 26 2HG GLU 26 -10.384 -17.285 -2.536 170 H ALA 27 H ALA 27 -6.713 -19.116 -0.369 171 HA ALA 27 HA ALA 27 -4.517 -19.022 0.357 172 HB1 ALA 27 1HB ALA 27 -4.656 -21.209 -0.574 173 HB2 ALA 27 2HB ALA 27 -4.421 -20.593 -2.210 174 HB3 ALA 27 3HB ALA 27 -3.097 -20.534 -1.047 175 H GLY 28 H GLY 28 -4.961 -16.562 -0.624 176 HA2 GLY 28 1HA GLY 28 -2.368 -15.903 -1.780 177 HA3 GLY 28 2HA GLY 28 -3.777 -15.431 -2.718 178 H GLY 29 H GLY 29 -3.402 -15.411 0.804 179 HA2 GLY 29 1HA GLY 29 -4.362 -12.690 0.903 180 HA3 GLY 29 2HA GLY 29 -3.951 -13.705 2.278 181 H THR 30 H THR 30 -2.550 -12.554 3.448 182 HA THR 30 HA THR 30 0.083 -12.101 2.497 183 HB THR 30 HB THR 30 -0.952 -10.179 1.383 184 HG1 THR 30 1HG THR 30 0.808 -9.119 1.872 185 HG21 THR 30 3HG2 THR 30 -2.783 -9.988 3.176 186 HG22 THR 30 1HG2 THR 30 -2.142 -8.494 2.494 187 HG23 THR 30 2HG2 THR 30 -1.606 -9.039 4.084 188 H ARG 31 H ARG 31 1.447 -12.105 4.182 189 HA ARG 31 HA ARG 31 0.340 -11.518 6.850 190 HB2 ARG 31 1HB ARG 31 2.239 -13.700 5.995 191 HB3 ARG 31 2HB ARG 31 2.044 -13.218 7.676 192 HG2 ARG 31 1HG ARG 31 -0.438 -13.686 7.350 193 HG3 ARG 31 2HG ARG 31 0.035 -14.497 5.856 194 HD2 ARG 31 1HD ARG 31 1.407 -15.187 8.418 195 HD3 ARG 31 2HD ARG 31 -0.190 -15.852 8.078 196 HE ARG 31 HE ARG 31 0.733 -17.185 6.440 197 HH11 ARG 31 2HH1 ARG 31 3.073 -14.854 7.542 198 HH12 ARG 31 1HH1 ARG 31 4.403 -15.612 6.731 199 HH21 ARG 31 2HH2 ARG 31 2.477 -18.192 5.368 200 HH22 ARG 31 1HH2 ARG 31 4.063 -17.510 5.495 201 H LEU 32 H LEU 32 1.109 -9.378 6.766 202 HA LEU 32 HA LEU 32 3.992 -8.984 6.516 203 HB2 LEU 32 1HB LEU 32 1.621 -7.160 6.556 204 HB3 LEU 32 2HB LEU 32 3.238 -6.527 6.856 205 HG LEU 32 HG LEU 32 2.627 -8.097 4.374 206 HD11 LEU 32 1HD1 LEU 32 1.101 -6.007 4.852 207 HD12 LEU 32 2HD1 LEU 32 1.787 -6.292 3.253 208 HD13 LEU 32 3HD1 LEU 32 2.540 -5.125 4.340 209 HD21 LEU 32 3HD2 LEU 32 4.454 -6.448 3.579 210 HD22 LEU 32 1HD2 LEU 32 4.918 -7.817 4.590 211 HD23 LEU 32 2HD2 LEU 32 4.758 -6.211 5.301 212 H LEU 33 H LEU 33 5.094 -9.399 8.323 213 HA LEU 33 HA LEU 33 3.991 -8.448 10.883 214 HB2 LEU 33 1HB LEU 33 4.243 -10.758 11.075 215 HB3 LEU 33 2HB LEU 33 5.761 -10.759 10.178 216 HG LEU 33 HG LEU 33 6.721 -9.492 12.199 217 HD11 LEU 33 1HD1 LEU 33 5.244 -10.592 14.224 218 HD12 LEU 33 2HD1 LEU 33 4.001 -10.054 13.094 219 HD13 LEU 33 3HD1 LEU 33 5.187 -8.905 13.712 220 HD21 LEU 33 3HD2 LEU 33 7.192 -11.581 13.356 221 HD22 LEU 33 1HD2 LEU 33 7.281 -11.803 11.609 222 HD23 LEU 33 2HD2 LEU 33 5.868 -12.371 12.499 223 H ARG 34 H ARG 34 4.827 -6.489 11.268 224 HA ARG 34 HA ARG 34 7.378 -5.636 10.367 225 HB2 ARG 34 1HB ARG 34 5.229 -4.284 11.104 226 HB3 ARG 34 2HB ARG 34 6.024 -4.306 12.673 227 HG2 ARG 34 1HG ARG 34 7.753 -2.972 11.972 228 HG3 ARG 34 2HG ARG 34 7.572 -3.443 10.281 229 HD2 ARG 34 1HD ARG 34 5.437 -2.185 10.211 230 HD3 ARG 34 2HD ARG 34 5.739 -1.644 11.862 231 HE ARG 34 HE ARG 34 7.891 -1.044 10.063 232 HH11 ARG 34 2HH1 ARG 34 4.805 0.025 11.268 233 HH12 ARG 34 1HH1 ARG 34 5.094 1.694 10.903 234 HH21 ARG 34 2HH2 ARG 34 8.283 1.150 9.578 235 HH22 ARG 34 1HH2 ARG 34 7.072 2.333 9.941 236 H VAL 35 H VAL 35 9.177 -6.583 11.097 237 HA VAL 35 HA VAL 35 9.382 -7.311 13.926 238 HB VAL 35 HB VAL 35 11.336 -8.600 13.325 239 HG11 VAL 35 1HG1 VAL 35 9.693 -10.085 12.949 240 HG12 VAL 35 2HG1 VAL 35 8.772 -8.964 11.944 241 HG13 VAL 35 3HG1 VAL 35 10.121 -9.867 11.253 242 HG21 VAL 35 3HG2 VAL 35 11.646 -8.687 10.655 243 HG22 VAL 35 1HG2 VAL 35 11.169 -7.000 10.851 244 HG23 VAL 35 2HG2 VAL 35 12.579 -7.624 11.708 245 H HIS 36 H HIS 36 9.458 -4.537 13.158 246 HA HIS 36 HA HIS 36 11.787 -3.741 14.589 247 HB2 HIS 36 1HB HIS 36 11.766 -3.514 11.611 248 HB3 HIS 36 2HB HIS 36 12.489 -2.208 12.545 249 HD1 HIS 36 1HD HIS 36 13.897 -4.464 10.645 250 HD2 HIS 36 2HD HIS 36 13.983 -4.174 14.789 251 HE1 HIS 36 1HE HIS 36 15.963 -5.705 11.363 252 HE2 HIS 36 2HE HIS 36 15.948 -5.588 13.879 253 H HIS 37 H HIS 37 11.055 -2.138 15.802 254 HA HIS 37 HA HIS 37 8.774 -0.565 14.928 255 HB2 HIS 37 1HB HIS 37 9.042 0.432 17.280 256 HB3 HIS 37 2HB HIS 37 8.567 -1.260 17.166 257 HD1 HIS 37 1HD HIS 37 9.854 -2.780 18.623 258 HD2 HIS 37 2HD HIS 37 12.011 0.643 17.680 259 HE1 HIS 37 1HE HIS 37 12.007 -2.967 19.909 260 HE2 HIS 37 2HE HIS 37 13.259 -0.844 19.389 261 H GLU 38 H GLU 38 10.733 0.073 13.264 262 HA GLU 38 HA GLU 38 11.434 2.795 14.080 263 HB2 GLU 38 1HB GLU 38 13.692 2.590 13.196 264 HB3 GLU 38 2HB GLU 38 13.431 1.414 14.477 265 HG2 GLU 38 1HG GLU 38 13.461 -0.373 13.036 266 HG3 GLU 38 2HG GLU 38 12.990 0.604 11.646 267 H SER 39 H SER 39 12.376 3.998 12.084 268 HA SER 39 HA SER 39 10.411 3.727 9.985 269 HB2 SER 39 1HB SER 39 11.188 5.940 10.944 270 HB3 SER 39 2HB SER 39 12.713 5.684 10.096 271 HG SER 39 HG SER 39 10.572 6.777 9.119 272 H ASP 40 H ASP 40 11.124 3.915 7.671 273 HA ASP 40 HA ASP 40 13.047 1.820 7.130 274 HB2 ASP 40 1HB ASP 40 10.748 2.257 5.958 275 HB3 ASP 40 2HB ASP 40 11.669 3.405 4.990 276 H THR 41 H THR 41 14.391 2.279 4.993 277 HA THR 41 HA THR 41 15.897 4.760 5.503 278 HB THR 41 HB THR 41 17.015 2.339 4.102 279 HG1 THR 41 1HG THR 41 17.116 2.932 6.892 280 HG21 THR 41 3HG2 THR 41 18.068 4.893 5.194 281 HG22 THR 41 1HG2 THR 41 18.536 4.005 3.745 282 HG23 THR 41 2HG2 THR 41 19.092 3.464 5.329 283 H GLU 42 H GLU 42 13.586 4.676 3.818 284 HA GLU 42 HA GLU 42 14.549 4.652 1.085 285 HB2 GLU 42 1HB GLU 42 12.289 3.831 1.613 286 HB3 GLU 42 2HB GLU 42 11.849 5.427 2.204 287 HG2 GLU 42 1HG GLU 42 11.742 6.333 0.105 288 HG3 GLU 42 2HG GLU 42 12.868 5.160 -0.577 289 H GLU 43 H GLU 43 15.783 6.544 2.866 290 HA GLU 43 HA GLU 43 14.718 9.147 2.456 291 HB2 GLU 43 1HB GLU 43 17.422 8.138 3.319 292 HB3 GLU 43 2HB GLU 43 17.086 9.853 3.128 293 HG2 GLU 43 1HG GLU 43 16.728 9.522 5.376 294 HG3 GLU 43 2HG GLU 43 15.099 9.401 4.714 295 H ARG 44 H ARG 44 17.102 7.181 0.764 296 HA ARG 44 HA ARG 44 18.403 8.850 -0.877 297 HB2 ARG 44 1HB ARG 44 17.093 6.217 -1.496 298 HB3 ARG 44 2HB ARG 44 18.004 7.082 -2.727 299 HG2 ARG 44 1HG ARG 44 19.884 7.129 -0.940 300 HG3 ARG 44 2HG ARG 44 18.969 5.810 -0.206 301 HD2 ARG 44 1HD ARG 44 19.004 4.823 -2.620 302 HD3 ARG 44 2HD ARG 44 20.370 5.915 -2.843 303 HE ARG 44 HE ARG 44 21.640 4.489 -1.598 304 HH11 ARG 44 2HH1 ARG 44 18.283 3.870 -0.917 305 HH12 ARG 44 1HH1 ARG 44 18.605 2.492 0.082 306 HH21 ARG 44 2HH2 ARG 44 22.077 2.676 -0.284 307 HH22 ARG 44 1HH2 ARG 44 20.763 1.815 0.443 308 H GLY 45 H GLY 45 14.982 8.072 -1.095 309 HA2 GLY 45 1HA GLY 45 14.743 10.005 -3.316 310 HA3 GLY 45 2HA GLY 45 13.642 8.660 -3.057 311 H PHE 46 H PHE 46 13.146 8.881 -0.350 312 HA PHE 46 HA PHE 46 11.042 10.621 -0.199 313 HB2 PHE 46 1HB PHE 46 11.087 9.079 1.530 314 HB3 PHE 46 2HB PHE 46 12.788 9.366 1.881 315 HD1 PHE 46 1HD PHE 46 9.475 11.057 2.033 316 HD2 PHE 46 2HD PHE 46 13.366 10.647 3.709 317 HE1 PHE 46 1HE PHE 46 8.835 12.556 3.876 318 HE2 PHE 46 2HE PHE 46 12.732 12.145 5.554 319 HZ PHE 46 HZ PHE 46 10.464 13.102 5.640 320 H LEU 47 H LEU 47 14.266 11.223 1.206 321 HA LEU 47 HA LEU 47 13.761 13.893 1.926 322 HB2 LEU 47 1HB LEU 47 16.178 12.203 1.585 323 HB3 LEU 47 2HB LEU 47 16.403 13.950 1.660 324 HG LEU 47 HG LEU 47 14.925 12.428 3.792 325 HD11 LEU 47 1HD1 LEU 47 16.825 11.530 4.494 326 HD12 LEU 47 2HD1 LEU 47 17.484 13.151 4.711 327 HD13 LEU 47 3HD1 LEU 47 17.715 12.303 3.182 328 HD21 LEU 47 3HD2 LEU 47 16.460 14.935 4.228 329 HD22 LEU 47 1HD2 LEU 47 14.986 14.359 5.005 330 HD23 LEU 47 2HD2 LEU 47 14.917 15.039 3.379 331 H GLU 48 H GLU 48 15.693 12.648 -0.806 332 HA GLU 48 HA GLU 48 16.297 14.962 -2.098 333 HB2 GLU 48 1HB GLU 48 15.695 12.205 -3.053 334 HB3 GLU 48 2HB GLU 48 15.823 13.479 -4.258 335 HG2 GLU 48 1HG GLU 48 17.931 12.258 -3.898 336 HG3 GLU 48 2HG GLU 48 18.063 13.985 -3.573 337 H LYS 49 H LYS 49 13.421 13.020 -2.934 338 HA LYS 49 HA LYS 49 12.130 14.582 -4.679 339 HB2 LYS 49 1HB LYS 49 11.371 12.450 -3.247 340 HB3 LYS 49 2HB LYS 49 10.426 13.680 -2.416 341 HG2 LYS 49 1HG LYS 49 9.060 14.031 -4.191 342 HG3 LYS 49 2HG LYS 49 10.318 13.665 -5.374 343 HD2 LYS 49 1HD LYS 49 9.184 11.518 -3.614 344 HD3 LYS 49 2HD LYS 49 8.357 12.008 -5.095 345 HE2 LYS 49 1HE LYS 49 9.692 10.220 -5.769 346 HE3 LYS 49 2HE LYS 49 10.622 11.641 -6.243 347 HZ1 LYS 49 3HZ LYS 49 12.203 11.240 -4.690 348 HZ2 LYS 49 1HZ LYS 49 11.691 9.644 -4.916 349 HZ3 LYS 49 2HZ LYS 49 11.130 10.532 -3.591 350 H ALA 50 H ALA 50 11.990 15.083 -1.159 351 HA ALA 50 HA ALA 50 10.354 17.358 -1.197 352 HB1 ALA 50 1HB ALA 50 11.059 15.900 0.789 353 HB2 ALA 50 2HB ALA 50 12.492 16.926 0.861 354 HB3 ALA 50 3HB ALA 50 10.889 17.635 1.058 355 H ALA 51 H ALA 51 13.905 17.106 -1.064 356 HA ALA 51 HA ALA 51 14.492 19.825 -1.027 357 HB1 ALA 51 1HB ALA 51 16.682 19.240 -1.438 358 HB2 ALA 51 2HB ALA 51 16.028 17.729 -0.803 359 HB3 ALA 51 3HB ALA 51 16.240 17.937 -2.542 360 H VAL 52 H VAL 52 14.772 17.734 -3.907 361 HA VAL 52 HA VAL 52 15.100 19.637 -5.829 362 HB VAL 52 HB VAL 52 13.305 17.247 -6.233 363 HG11 VAL 52 1HG1 VAL 52 14.115 19.253 -7.965 364 HG12 VAL 52 2HG1 VAL 52 15.194 17.904 -8.328 365 HG13 VAL 52 3HG1 VAL 52 13.446 17.684 -8.413 366 HG21 VAL 52 3HG2 VAL 52 16.218 17.414 -5.726 367 HG22 VAL 52 1HG2 VAL 52 15.075 16.121 -5.365 368 HG23 VAL 52 2HG2 VAL 52 15.688 16.323 -7.006 369 H LYS 53 H LYS 53 11.960 18.380 -4.709 370 HA LYS 53 HA LYS 53 10.312 19.957 -6.293 371 HB2 LYS 53 1HB LYS 53 9.928 18.766 -3.554 372 HB3 LYS 53 2HB LYS 53 8.653 19.679 -4.351 373 HG2 LYS 53 1HG LYS 53 9.984 17.281 -5.583 374 HG3 LYS 53 2HG LYS 53 8.521 17.189 -4.599 375 HD2 LYS 53 1HD LYS 53 8.733 18.966 -7.017 376 HD3 LYS 53 2HD LYS 53 8.201 17.286 -7.120 377 HE2 LYS 53 1HE LYS 53 6.909 19.162 -5.182 378 HE3 LYS 53 2HE LYS 53 6.441 19.184 -6.881 379 HZ1 LYS 53 3HZ LYS 53 5.029 17.582 -6.273 380 HZ2 LYS 53 1HZ LYS 53 5.857 17.236 -4.839 381 HZ3 LYS 53 2HZ LYS 53 6.374 16.557 -6.299 382 H LYS 54 H LYS 54 11.180 20.580 -2.886 383 HA LYS 54 HA LYS 54 10.069 22.996 -2.454 384 HB2 LYS 54 1HB LYS 54 12.641 21.786 -1.577 385 HB3 LYS 54 2HB LYS 54 12.404 23.499 -1.253 386 HG2 LYS 54 1HG LYS 54 10.256 22.910 -0.127 387 HG3 LYS 54 2HG LYS 54 10.691 21.210 -0.315 388 HD2 LYS 54 1HD LYS 54 12.813 21.712 0.924 389 HD3 LYS 54 2HD LYS 54 12.165 23.320 1.254 390 HE2 LYS 54 1HE LYS 54 10.098 21.914 2.115 391 HE3 LYS 54 2HE LYS 54 11.331 20.671 2.321 392 HZ1 LYS 54 3HZ LYS 54 12.588 22.638 3.477 393 HZ2 LYS 54 1HZ LYS 54 11.453 21.714 4.325 394 HZ3 LYS 54 2HZ LYS 54 11.020 23.229 3.712 395 H MET 55 H MET 55 13.332 22.625 -3.856 396 HA MET 55 HA MET 55 13.900 25.244 -4.412 397 HB2 MET 55 1HB MET 55 14.530 22.850 -6.148 398 HB3 MET 55 2HB MET 55 15.323 24.416 -6.254 399 HG2 MET 55 1HG MET 55 15.317 23.025 -3.633 400 HG3 MET 55 2HG MET 55 16.368 22.408 -4.906 401 HE1 MET 55 3HE MET 55 19.228 24.723 -5.119 402 HE2 MET 55 1HE MET 55 18.921 23.114 -4.463 403 HE3 MET 55 2HE MET 55 18.205 23.590 -6.003 404 H ALA 56 H ALA 56 12.124 22.979 -6.503 405 HA ALA 56 HA ALA 56 11.677 24.625 -8.677 406 HB1 ALA 56 1HB ALA 56 9.317 23.084 -8.171 407 HB2 ALA 56 2HB ALA 56 10.569 22.840 -9.390 408 HB3 ALA 56 3HB ALA 56 10.748 22.127 -7.787 409 H LYS 57 H LYS 57 9.510 24.164 -5.879 410 HA LYS 57 HA LYS 57 7.470 25.836 -6.442 411 HB2 LYS 57 1HB LYS 57 8.893 25.711 -3.776 412 HB3 LYS 57 2HB LYS 57 7.249 26.279 -4.036 413 HG2 LYS 57 1HG LYS 57 6.729 23.984 -4.945 414 HG3 LYS 57 2HG LYS 57 8.309 23.484 -4.336 415 HD2 LYS 57 1HD LYS 57 7.662 24.122 -2.079 416 HD3 LYS 57 2HD LYS 57 6.102 24.697 -2.671 417 HE2 LYS 57 1HE LYS 57 5.816 22.299 -3.577 418 HE3 LYS 57 2HE LYS 57 7.129 21.887 -2.476 419 HZ1 LYS 57 3HZ LYS 57 4.560 21.866 -1.784 420 HZ2 LYS 57 1HZ LYS 57 4.968 23.443 -1.326 421 HZ3 LYS 57 2HZ LYS 57 5.818 22.130 -0.684 422 H ALA 58 H ALA 58 10.460 26.927 -4.826 423 HA ALA 58 HA ALA 58 9.969 29.615 -4.677 424 HB1 ALA 58 1HB ALA 58 12.159 27.994 -4.270 425 HB2 ALA 58 2HB ALA 58 12.699 29.100 -5.534 426 HB3 ALA 58 3HB ALA 58 12.091 29.736 -4.005 427 H ILE 59 H ILE 59 11.458 27.911 -7.429 428 HA ILE 59 HA ILE 59 11.887 30.054 -9.110 429 HB ILE 59 HB ILE 59 10.995 27.278 -9.898 430 HG12 ILE 59 1HG1 ILE 59 13.787 28.431 -9.764 431 HG13 ILE 59 2HG1 ILE 59 13.072 27.447 -8.492 432 HG21 ILE 59 1HG2 ILE 59 10.757 28.302 -11.899 433 HG22 ILE 59 2HG2 ILE 59 11.809 29.646 -11.459 434 HG23 ILE 59 3HG2 ILE 59 12.509 28.104 -11.952 435 HD11 ILE 59 3HD1 ILE 59 12.990 26.277 -11.183 436 HD12 ILE 59 1HD1 ILE 59 14.596 26.478 -10.484 437 HD13 ILE 59 2HD1 ILE 59 13.373 25.538 -9.629 438 H MET 60 H MET 60 8.984 27.979 -9.035 439 HA MET 60 HA MET 60 7.433 29.128 -10.934 440 HB2 MET 60 1HB MET 60 6.492 28.301 -8.182 441 HB3 MET 60 2HB MET 60 5.464 28.499 -9.596 442 HG2 MET 60 1HG MET 60 7.771 26.617 -9.714 443 HG3 MET 60 2HG MET 60 6.296 26.138 -8.878 444 HE1 MET 60 3HE MET 60 3.746 25.938 -10.432 445 HE2 MET 60 1HE MET 60 4.317 24.630 -11.469 446 HE3 MET 60 2HE MET 60 4.892 24.751 -9.807 447 H ALA 61 H ALA 61 8.274 30.496 -7.834 448 HA ALA 61 HA ALA 61 6.382 32.669 -8.047 449 HB1 ALA 61 1HB ALA 61 7.453 33.498 -5.991 450 HB2 ALA 61 2HB ALA 61 6.939 31.817 -5.851 451 HB3 ALA 61 3HB ALA 61 8.641 32.200 -6.106 452 H ASP 62 H ASP 62 9.906 32.281 -8.283 453 HA ASP 62 HA ASP 62 9.990 34.762 -9.854 454 HB2 ASP 62 1HB ASP 62 11.694 34.022 -7.491 455 HB3 ASP 62 2HB ASP 62 12.300 35.115 -8.732 456 HA PRO 63 HA PRO 63 12.168 32.221 -12.727 457 HB2 PRO 63 1HB PRO 63 13.205 34.196 -14.275 458 HB3 PRO 63 2HB PRO 63 11.500 33.732 -14.324 459 HG2 PRO 63 1HG PRO 63 12.800 36.018 -12.894 460 HG3 PRO 63 2HG PRO 63 11.290 35.993 -13.823 461 HD2 PRO 63 1HD PRO 63 11.336 35.897 -11.117 462 HD3 PRO 63 2HD PRO 63 10.084 35.086 -12.080 463 H ASN 64 H ASN 64 13.859 35.034 -11.356 464 HA ASN 64 HA ASN 64 16.462 34.402 -11.987 465 HB2 ASN 64 1HB ASN 64 15.607 35.537 -9.319 466 HB3 ASN 64 2HB ASN 64 17.139 35.792 -10.150 467 HD21 ASN 64 1HD2 ASN 64 17.210 37.157 -11.946 468 HD22 ASN 64 2HD2 ASN 64 15.959 38.306 -12.264 469 H LYS 65 H LYS 65 14.492 33.170 -9.327 470 HA LYS 65 HA LYS 65 16.473 31.771 -7.942 471 HB2 LYS 65 1HB LYS 65 13.546 31.080 -8.259 472 HB3 LYS 65 2HB LYS 65 14.621 30.408 -7.040 473 HG2 LYS 65 1HG LYS 65 14.050 33.348 -7.288 474 HG3 LYS 65 2HG LYS 65 13.113 32.257 -6.264 475 HD2 LYS 65 1HD LYS 65 16.103 32.473 -6.042 476 HD3 LYS 65 2HD LYS 65 15.021 33.558 -5.166 477 HE2 LYS 65 1HE LYS 65 14.625 30.600 -5.000 478 HE3 LYS 65 2HE LYS 65 15.881 31.372 -4.034 479 HZ1 LYS 65 3HZ LYS 65 13.682 31.122 -2.912 480 HZ2 LYS 65 1HZ LYS 65 13.047 32.243 -4.008 481 HZ3 LYS 65 2HZ LYS 65 14.277 32.705 -2.944 482 H ALA 66 H ALA 66 14.911 31.087 -10.943 483 HA ALA 66 HA ALA 66 15.314 28.294 -11.046 484 HB1 ALA 66 1HB ALA 66 15.332 30.055 -13.473 485 HB2 ALA 66 2HB ALA 66 14.703 28.417 -13.294 486 HB3 ALA 66 3HB ALA 66 13.854 29.773 -12.552 487 H ASP 67 H ASP 67 17.256 31.005 -12.283 488 HA ASP 67 HA ASP 67 19.285 29.572 -13.504 489 HB2 ASP 67 1HB ASP 67 19.482 31.823 -13.916 490 HB3 ASP 67 2HB ASP 67 19.095 32.270 -12.257 491 H GLU 68 H GLU 68 19.347 30.884 -10.184 492 HA GLU 68 HA GLU 68 21.719 29.826 -9.318 493 HB2 GLU 68 1HB GLU 68 20.614 29.738 -7.025 494 HB3 GLU 68 2HB GLU 68 20.586 31.288 -7.855 495 HG2 GLU 68 1HG GLU 68 18.276 30.757 -8.620 496 HG3 GLU 68 2HG GLU 68 18.326 29.322 -7.598 497 H VAL 69 H VAL 69 18.533 28.247 -9.151 498 HA VAL 69 HA VAL 69 19.418 25.837 -8.018 499 HB VAL 69 HB VAL 69 17.067 26.176 -9.882 500 HG11 VAL 69 1HG1 VAL 69 16.927 23.965 -9.578 501 HG12 VAL 69 2HG1 VAL 69 18.085 23.984 -8.247 502 HG13 VAL 69 3HG1 VAL 69 16.387 24.357 -7.946 503 HG21 VAL 69 3HG2 VAL 69 17.518 27.497 -7.468 504 HG22 VAL 69 1HG2 VAL 69 15.983 27.334 -8.322 505 HG23 VAL 69 2HG2 VAL 69 16.423 26.173 -7.069 506 H TYR 70 H TYR 70 18.445 26.376 -11.410 507 HA TYR 70 HA TYR 70 19.114 24.098 -12.616 508 HB2 TYR 70 1HB TYR 70 19.791 26.886 -13.557 509 HB3 TYR 70 2HB TYR 70 19.950 25.462 -14.580 510 HD1 TYR 70 1HD TYR 70 17.536 23.936 -13.834 511 HD2 TYR 70 2HD TYR 70 18.050 28.104 -14.519 512 HE1 TYR 70 1HE TYR 70 15.165 24.120 -14.463 513 HE2 TYR 70 2HE TYR 70 15.681 28.299 -15.149 514 HH TYR 70 HH TYR 70 13.537 25.464 -15.138 515 H LYS 71 H LYS 71 21.442 26.459 -11.428 516 HA LYS 71 HA LYS 71 23.716 25.002 -12.435 517 HB2 LYS 71 1HB LYS 71 23.440 27.379 -10.597 518 HB3 LYS 71 2HB LYS 71 24.996 26.667 -11.005 519 HG2 LYS 71 1HG LYS 71 24.669 27.178 -13.337 520 HG3 LYS 71 2HG LYS 71 23.039 27.772 -13.010 521 HD2 LYS 71 1HD LYS 71 24.263 29.734 -13.103 522 HD3 LYS 71 2HD LYS 71 24.243 29.393 -11.371 523 HE2 LYS 71 1HE LYS 71 26.472 28.363 -13.077 524 HE3 LYS 71 2HE LYS 71 26.476 30.043 -12.543 525 HZ1 LYS 71 3HZ LYS 71 27.606 29.037 -10.849 526 HZ2 LYS 71 1HZ LYS 71 26.738 27.588 -10.957 527 HZ3 LYS 71 2HZ LYS 71 26.032 28.945 -10.235 528 H LYS 72 H LYS 72 22.209 25.538 -9.270 529 HA LYS 72 HA LYS 72 24.051 24.142 -7.705 530 HB2 LYS 72 1HB LYS 72 21.145 24.800 -7.406 531 HB3 LYS 72 2HB LYS 72 21.912 23.726 -6.245 532 HG2 LYS 72 1HG LYS 72 23.275 25.384 -5.407 533 HG3 LYS 72 2HG LYS 72 23.165 26.361 -6.873 534 HD2 LYS 72 1HD LYS 72 20.898 26.979 -6.352 535 HD3 LYS 72 2HD LYS 72 20.870 25.874 -4.975 536 HE2 LYS 72 1HE LYS 72 22.706 27.206 -3.952 537 HE3 LYS 72 2HE LYS 72 22.558 28.355 -5.281 538 HZ1 LYS 72 3HZ LYS 72 21.243 29.299 -3.670 539 HZ2 LYS 72 1HZ LYS 72 20.683 27.815 -3.081 540 HZ3 LYS 72 2HZ LYS 72 20.093 28.420 -4.546 541 H TRP 73 H TRP 73 20.942 22.959 -8.997 542 HA TRP 73 HA TRP 73 20.989 20.367 -8.197 543 HB2 TRP 73 1HB TRP 73 20.025 21.650 -10.727 544 HB3 TRP 73 2HB TRP 73 19.949 19.898 -10.561 545 HD1 TRP 73 HD TRP 73 19.204 20.125 -7.328 546 HE1 TRP 73 1HE TRP 73 16.759 20.674 -6.742 547 HE3 TRP 73 3HE TRP 73 17.735 22.145 -11.789 548 HZ2 TRP 73 2HZ TRP 73 14.505 21.812 -8.005 549 HZ3 TRP 73 3HZ TRP 73 15.417 22.939 -12.017 550 HH2 TRP 73 HH TRP 73 13.837 22.775 -10.163 551 H ALA 74 H ALA 74 22.140 21.242 -11.457 552 HA ALA 74 HA ALA 74 23.347 19.005 -12.272 553 HB1 ALA 74 1HB ALA 74 24.041 21.859 -12.609 554 HB2 ALA 74 2HB ALA 74 25.268 20.682 -13.080 555 HB3 ALA 74 3HB ALA 74 23.666 20.629 -13.816 556 H ASP 75 H ASP 75 24.594 21.139 -9.772 557 HA ASP 75 HA ASP 75 27.150 19.989 -9.510 558 HB2 ASP 75 1HB ASP 75 26.256 22.185 -8.512 559 HB3 ASP 75 2HB ASP 75 25.609 21.184 -7.216 560 H LYS 76 H LYS 76 24.182 19.430 -7.618 561 HA LYS 76 HA LYS 76 25.091 17.484 -5.901 562 HB2 LYS 76 1HB LYS 76 22.412 17.943 -7.180 563 HB3 LYS 76 2HB LYS 76 22.665 16.577 -6.102 564 HG2 LYS 76 1HG LYS 76 21.790 18.244 -4.733 565 HG3 LYS 76 2HG LYS 76 23.526 18.291 -4.417 566 HD2 LYS 76 1HD LYS 76 23.814 20.273 -5.588 567 HD3 LYS 76 2HD LYS 76 22.328 20.056 -6.517 568 HE2 LYS 76 1HE LYS 76 22.241 20.433 -3.546 569 HE3 LYS 76 2HE LYS 76 22.385 21.820 -4.625 570 HZ1 LYS 76 3HZ LYS 76 20.275 19.829 -5.103 571 HZ2 LYS 76 1HZ LYS 76 20.304 21.475 -5.493 572 HZ3 LYS 76 2HZ LYS 76 20.059 20.989 -3.892 573 H GLY 77 H GLY 77 23.907 17.075 -9.219 574 HA2 GLY 77 1HA GLY 77 25.060 15.415 -10.601 575 HA3 GLY 77 2HA GLY 77 25.094 14.370 -9.188 576 H TYR 78 H TYR 78 22.386 16.291 -10.413 577 HA TYR 78 HA TYR 78 20.771 13.860 -10.479 578 HB2 TYR 78 1HB TYR 78 19.944 16.755 -10.773 579 HB3 TYR 78 2HB TYR 78 18.851 15.380 -10.651 580 HD1 TYR 78 1HD TYR 78 19.782 13.798 -8.487 581 HD2 TYR 78 2HD TYR 78 19.852 18.036 -8.861 582 HE1 TYR 78 1HE TYR 78 19.786 14.009 -6.037 583 HE2 TYR 78 2HE TYR 78 19.858 18.258 -6.412 584 HH TYR 78 HH TYR 78 19.619 15.418 -4.309 585 H THR 79 H THR 79 19.310 13.473 -12.283 586 HA THR 79 HA THR 79 20.163 14.639 -14.835 587 HB THR 79 HB THR 79 20.056 12.331 -15.863 588 HG1 THR 79 1HG THR 79 19.032 11.434 -13.877 589 HG21 THR 79 3HG2 THR 79 22.167 13.483 -14.206 590 HG22 THR 79 1HG2 THR 79 22.249 12.805 -15.832 591 HG23 THR 79 2HG2 THR 79 22.326 11.741 -14.428 592 H LEU 80 H LEU 80 18.616 14.468 -16.526 593 HA LEU 80 HA LEU 80 16.070 15.104 -16.061 594 HB2 LEU 80 1HB LEU 80 16.928 13.195 -18.230 595 HB3 LEU 80 2HB LEU 80 15.446 14.149 -18.224 596 HG LEU 80 HG LEU 80 18.234 15.299 -18.309 597 HD11 LEU 80 1HD1 LEU 80 16.283 15.302 -20.578 598 HD12 LEU 80 2HD1 LEU 80 17.384 13.947 -20.332 599 HD13 LEU 80 3HD1 LEU 80 18.026 15.567 -20.604 600 HD21 LEU 80 3HD2 LEU 80 15.484 16.473 -18.300 601 HD22 LEU 80 1HD2 LEU 80 16.803 17.304 -19.125 602 HD23 LEU 80 2HD2 LEU 80 16.917 16.967 -17.398 603 H THR 81 H THR 81 17.261 11.769 -16.181 604 HA THR 81 HA THR 81 14.843 10.428 -15.887 605 HB THR 81 HB THR 81 17.549 9.634 -14.793 606 HG1 THR 81 1HG THR 81 16.222 9.077 -17.254 607 HG21 THR 81 3HG2 THR 81 16.307 7.307 -15.313 608 HG22 THR 81 1HG2 THR 81 14.918 8.282 -14.838 609 HG23 THR 81 2HG2 THR 81 16.277 8.084 -13.731 610 H GLN 82 H GLN 82 17.138 11.365 -13.320 611 HA GLN 82 HA GLN 82 15.317 10.644 -11.231 612 HB2 GLN 82 1HB GLN 82 17.871 12.258 -11.141 613 HB3 GLN 82 2HB GLN 82 16.998 11.670 -9.733 614 HG2 GLN 82 1HG GLN 82 17.961 9.781 -11.842 615 HG3 GLN 82 2HG GLN 82 19.039 10.355 -10.571 616 HE21 GLN 82 1HE2 GLN 82 19.053 9.286 -8.720 617 HE22 GLN 82 2HE2 GLN 82 17.868 8.137 -8.208 618 H MET 83 H MET 83 16.662 13.782 -12.274 619 HA MET 83 HA MET 83 15.401 15.557 -10.729 620 HB2 MET 83 1HB MET 83 16.803 16.272 -12.564 621 HB3 MET 83 2HB MET 83 15.627 15.696 -13.739 622 HG2 MET 83 1HG MET 83 15.552 18.113 -13.523 623 HG3 MET 83 2HG MET 83 14.038 17.377 -13.001 624 HE1 MET 83 3HE MET 83 17.344 17.385 -10.690 625 HE2 MET 83 1HE MET 83 17.471 18.676 -11.885 626 HE3 MET 83 2HE MET 83 17.257 19.072 -10.180 627 H SER 84 H SER 84 13.857 14.499 -13.769 628 HA SER 84 HA SER 84 11.365 15.578 -13.353 629 HB2 SER 84 1HB SER 84 11.808 14.639 -15.483 630 HB3 SER 84 2HB SER 84 12.205 13.065 -14.795 631 HG SER 84 HG SER 84 9.640 14.141 -14.412 632 H ASN 85 H ASN 85 12.336 12.237 -12.563 633 HA ASN 85 HA ASN 85 10.069 11.277 -11.420 634 HB2 ASN 85 1HB ASN 85 12.964 10.850 -10.823 635 HB3 ASN 85 2HB ASN 85 11.774 10.156 -9.726 636 HD21 ASN 85 1HD2 ASN 85 13.054 8.250 -10.663 637 HD22 ASN 85 2HD2 ASN 85 12.344 7.480 -12.037 638 H PHE 86 H PHE 86 12.270 13.629 -10.054 639 HA PHE 86 HA PHE 86 11.068 13.584 -7.442 640 HB2 PHE 86 1HB PHE 86 13.013 15.503 -8.735 641 HB3 PHE 86 2HB PHE 86 12.488 15.614 -7.058 642 HD1 PHE 86 1HD PHE 86 12.597 13.044 -5.957 643 HD2 PHE 86 2HD PHE 86 15.154 14.726 -8.915 644 HE1 PHE 86 1HE PHE 86 14.383 11.486 -5.294 645 HE2 PHE 86 2HE PHE 86 16.943 13.171 -8.258 646 HZ PHE 86 HZ PHE 86 16.559 11.547 -6.446 647 H LEU 87 H LEU 87 11.040 15.827 -10.199 648 HA LEU 87 HA LEU 87 9.003 17.464 -8.946 649 HB2 LEU 87 1HB LEU 87 10.212 17.640 -11.701 650 HB3 LEU 87 2HB LEU 87 9.180 18.850 -10.943 651 HG LEU 87 HG LEU 87 11.863 18.059 -9.829 652 HD11 LEU 87 1HD1 LEU 87 12.219 18.909 -12.067 653 HD12 LEU 87 2HD1 LEU 87 12.729 20.106 -10.877 654 HD13 LEU 87 3HD1 LEU 87 11.197 20.305 -11.726 655 HD21 LEU 87 3HD2 LEU 87 11.476 19.567 -8.230 656 HD22 LEU 87 1HD2 LEU 87 9.786 19.487 -8.728 657 HD23 LEU 87 2HD2 LEU 87 10.837 20.746 -9.377 658 H LYS 88 H LYS 88 8.409 14.667 -9.630 659 HA LYS 88 HA LYS 88 6.739 14.581 -11.924 660 HB2 LYS 88 1HB LYS 88 5.947 12.446 -11.023 661 HB3 LYS 88 2HB LYS 88 7.701 12.556 -10.944 662 HG2 LYS 88 1HG LYS 88 7.547 13.134 -8.566 663 HG3 LYS 88 2HG LYS 88 5.791 12.982 -8.654 664 HD2 LYS 88 1HD LYS 88 7.576 10.720 -9.481 665 HD3 LYS 88 2HD LYS 88 7.172 10.980 -7.783 666 HE2 LYS 88 1HE LYS 88 4.796 10.832 -8.319 667 HE3 LYS 88 2HE LYS 88 5.186 10.607 -10.024 668 HZ1 LYS 88 3HZ LYS 88 5.218 8.703 -7.873 669 HZ2 LYS 88 1HZ LYS 88 6.632 8.673 -8.802 670 HZ3 LYS 88 2HZ LYS 88 5.128 8.446 -9.543 671 H SER 89 H SER 89 6.059 14.956 -8.457 672 HA SER 89 HA SER 89 4.209 15.659 -7.330 673 HB2 SER 89 1HB SER 89 4.840 17.706 -8.725 674 HB3 SER 89 2HB SER 89 3.524 17.246 -9.805 675 HG SER 89 HG SER 89 3.306 17.826 -7.034 676 H LYS 90 H LYS 90 3.876 13.208 -8.564 677 HA LYS 90 HA LYS 90 2.346 11.768 -9.514 678 HB2 LYS 90 1HB LYS 90 0.726 13.379 -7.540 679 HB3 LYS 90 2HB LYS 90 0.134 11.909 -8.303 680 HG2 LYS 90 1HG LYS 90 0.927 11.101 -6.311 681 HG3 LYS 90 2HG LYS 90 2.328 10.868 -7.359 682 HD2 LYS 90 1HD LYS 90 3.196 13.070 -6.552 683 HD3 LYS 90 2HD LYS 90 1.868 13.106 -5.391 684 HE2 LYS 90 1HE LYS 90 3.499 12.176 -4.090 685 HE3 LYS 90 2HE LYS 90 2.795 10.714 -4.780 686 HZ1 LYS 90 3HZ LYS 90 5.432 11.570 -4.946 687 HZ2 LYS 90 1HZ LYS 90 4.790 11.700 -6.506 688 HZ3 LYS 90 2HZ LYS 90 4.736 10.220 -5.689 689 H THR 91 H THR 91 2.745 13.981 -11.204 690 HA THR 91 HA THR 91 0.151 14.034 -12.550 691 HB THR 91 HB THR 91 1.768 16.539 -12.039 692 HG1 THR 91 1HG THR 91 0.332 16.978 -10.510 693 HG21 THR 91 3HG2 THR 91 0.820 17.063 -14.041 694 HG22 THR 91 1HG2 THR 91 -0.559 17.431 -13.007 695 HG23 THR 91 2HG2 THR 91 -0.482 15.888 -13.858 696 H ALA 92 H ALA 92 0.272 14.075 -14.763 697 HA ALA 92 HA ALA 92 2.354 12.991 -16.111 698 HB1 ALA 92 1HB ALA 92 1.180 13.386 -17.999 699 HB2 ALA 92 2HB ALA 92 -0.070 13.878 -16.855 700 HB3 ALA 92 3HB ALA 92 0.947 15.095 -17.627 701 H GLY 93 H GLY 93 1.740 16.510 -15.982 702 HA2 GLY 93 1HA GLY 93 4.601 17.007 -15.892 703 HA3 GLY 93 2HA GLY 93 3.789 17.558 -17.350 704 H LYS 94 H LYS 94 3.412 17.724 -13.810 705 HA LYS 94 HA LYS 94 1.952 20.184 -13.939 706 HB2 LYS 94 1HB LYS 94 1.557 18.629 -12.115 707 HB3 LYS 94 2HB LYS 94 3.238 18.744 -11.613 708 HG2 LYS 94 1HG LYS 94 2.970 20.918 -10.802 709 HG3 LYS 94 2HG LYS 94 1.458 21.154 -11.681 710 HD2 LYS 94 1HD LYS 94 0.311 19.618 -10.235 711 HD3 LYS 94 2HD LYS 94 1.822 19.163 -9.444 712 HE2 LYS 94 1HE LYS 94 2.025 21.273 -8.406 713 HE3 LYS 94 2HE LYS 94 0.786 21.986 -9.438 714 HZ1 LYS 94 3HZ LYS 94 -0.514 21.601 -7.667 715 HZ2 LYS 94 1HZ LYS 94 0.500 20.407 -7.026 716 HZ3 LYS 94 2HZ LYS 94 -0.584 20.020 -8.264 717 H TYR 95 H TYR 95 5.243 19.296 -12.924 718 HA TYR 95 HA TYR 95 5.964 22.120 -12.761 719 HB2 TYR 95 1HB TYR 95 7.358 19.576 -11.948 720 HB3 TYR 95 2HB TYR 95 8.194 21.125 -11.977 721 HD1 TYR 95 2HD TYR 95 5.419 19.254 -10.406 722 HD2 TYR 95 1HD TYR 95 7.883 22.719 -10.245 723 HE1 TYR 95 2HE TYR 95 4.566 19.748 -8.153 724 HE2 TYR 95 1HE TYR 95 7.038 23.222 -7.991 725 HH TYR 95 HH TYR 95 5.241 22.745 -6.549 726 H ASP 96 H ASP 96 5.354 21.193 -15.336 727 HA ASP 96 HA ASP 96 7.642 20.419 -16.809 728 HB2 ASP 96 1HB ASP 96 5.114 20.364 -17.460 729 HB3 ASP 96 2HB ASP 96 5.405 22.007 -18.024 730 H ARG 97 H ARG 97 6.311 23.536 -15.892 731 HA ARG 97 HA ARG 97 7.815 25.171 -17.596 732 HB2 ARG 97 1HB ARG 97 5.854 25.701 -15.913 733 HB3 ARG 97 2HB ARG 97 7.179 26.067 -14.818 734 HG2 ARG 97 1HG ARG 97 8.058 27.581 -16.685 735 HG3 ARG 97 2HG ARG 97 6.449 27.414 -17.390 736 HD2 ARG 97 1HD ARG 97 6.161 29.304 -16.125 737 HD3 ARG 97 2HD ARG 97 5.666 28.064 -14.974 738 HE ARG 97 HE ARG 97 7.382 28.745 -13.649 739 HH11 ARG 97 2HH1 ARG 97 8.180 29.520 -16.948 740 HH12 ARG 97 1HH1 ARG 97 9.680 30.286 -16.543 741 HH21 ARG 97 2HH2 ARG 97 9.355 29.752 -13.103 742 HH22 ARG 97 1HH2 ARG 97 10.348 30.417 -14.355 743 H VAL 98 H VAL 98 8.617 23.619 -14.564 744 HA VAL 98 HA VAL 98 11.129 25.049 -14.313 745 HB VAL 98 HB VAL 98 10.022 22.754 -12.688 746 HG11 VAL 98 1HG1 VAL 98 11.864 22.794 -11.379 747 HG12 VAL 98 2HG1 VAL 98 12.626 23.402 -12.851 748 HG13 VAL 98 3HG1 VAL 98 12.111 24.526 -11.592 749 HG21 VAL 98 3HG2 VAL 98 8.808 24.246 -11.576 750 HG22 VAL 98 1HG2 VAL 98 10.236 25.239 -11.282 751 HG23 VAL 98 2HG2 VAL 98 9.288 25.470 -12.752 752 H TYR 99 H TYR 99 10.037 21.748 -15.015 753 HA TYR 99 HA TYR 99 12.520 20.512 -15.212 754 HB2 TYR 99 1HB TYR 99 10.407 19.272 -15.212 755 HB3 TYR 99 2HB TYR 99 10.008 19.930 -16.795 756 HD1 TYR 99 1HD TYR 99 12.429 17.759 -15.007 757 HD2 TYR 99 2HD TYR 99 10.775 18.888 -18.761 758 HE1 TYR 99 1HE TYR 99 13.578 15.865 -16.076 759 HE2 TYR 99 2HE TYR 99 11.918 16.996 -19.840 760 HH TYR 99 HH TYR 99 12.808 14.615 -18.920 761 H ASN 100 H ASN 100 10.698 22.346 -17.617 762 HA ASN 100 HA ASN 100 12.123 21.818 -19.905 763 HB2 ASN 100 1HB ASN 100 10.088 23.276 -19.718 764 HB3 ASN 100 2HB ASN 100 11.129 24.561 -19.110 765 HD21 ASN 100 1HD2 ASN 100 10.353 25.771 -20.936 766 HD22 ASN 100 2HD2 ASN 100 11.086 25.549 -22.485 767 H GLY 101 H GLY 101 12.730 24.673 -17.844 768 HA2 GLY 101 1HA GLY 101 15.015 25.635 -18.907 769 HA3 GLY 101 2HA GLY 101 14.745 25.596 -17.171 770 H TYR 102 H TYR 102 15.157 23.291 -16.223 771 HA TYR 102 HA TYR 102 17.793 22.753 -16.136 772 HB2 TYR 102 1HB TYR 102 15.935 21.664 -14.786 773 HB3 TYR 102 2HB TYR 102 15.767 20.516 -16.110 774 HD1 TYR 102 1HD TYR 102 18.856 21.978 -14.625 775 HD2 TYR 102 2HD TYR 102 16.506 18.485 -15.242 776 HE1 TYR 102 1HE TYR 102 20.652 20.606 -13.655 777 HE2 TYR 102 2HE TYR 102 18.295 17.103 -14.273 778 HH TYR 102 HH TYR 102 20.996 17.477 -14.057 779 H VAL 103 H VAL 103 15.584 20.830 -18.178 780 HA VAL 103 HA VAL 103 17.216 19.225 -19.543 781 HB VAL 103 HB VAL 103 15.047 20.937 -20.757 782 HG11 VAL 103 1HG1 VAL 103 15.671 20.213 -22.761 783 HG12 VAL 103 2HG1 VAL 103 16.965 19.244 -22.053 784 HG13 VAL 103 3HG1 VAL 103 15.346 18.565 -22.228 785 HG21 VAL 103 3HG2 VAL 103 14.471 19.324 -18.907 786 HG22 VAL 103 1HG2 VAL 103 13.618 19.070 -20.429 787 HG23 VAL 103 2HG2 VAL 103 14.970 18.025 -19.990 788 H ILE 104 H ILE 104 16.625 22.571 -20.639 789 HA ILE 104 HA ILE 104 18.653 22.541 -22.605 790 HB ILE 104 HB ILE 104 17.360 24.884 -21.204 791 HG12 ILE 104 1HG1 ILE 104 16.337 24.942 -23.666 792 HG13 ILE 104 2HG1 ILE 104 16.679 23.218 -23.580 793 HG21 ILE 104 1HG2 ILE 104 19.444 25.622 -22.113 794 HG22 ILE 104 2HG2 ILE 104 19.138 24.782 -23.633 795 HG23 ILE 104 3HG2 ILE 104 18.158 26.178 -23.184 796 HD11 ILE 104 3HD1 ILE 104 15.224 24.479 -21.322 797 HD12 ILE 104 1HD1 ILE 104 14.363 24.200 -22.835 798 HD13 ILE 104 2HD1 ILE 104 15.103 22.847 -21.979 799 H HIS 105 H HIS 105 18.594 23.669 -19.251 800 HA HIS 105 HA HIS 105 21.032 24.947 -19.099 801 HB2 HIS 105 1HB HIS 105 19.406 24.868 -17.251 802 HB3 HIS 105 2HB HIS 105 19.782 23.167 -16.995 803 HD1 HIS 105 1HD HIS 105 21.249 26.602 -16.572 804 HD2 HIS 105 2HD HIS 105 22.081 22.666 -15.533 805 HE1 HIS 105 1HE HIS 105 23.139 26.728 -14.918 806 HE2 HIS 105 2HE HIS 105 23.682 24.331 -14.368 807 H LEU 106 H LEU 106 20.350 21.518 -19.211 808 HA LEU 106 HA LEU 106 23.043 20.740 -18.548 809 HB2 LEU 106 1HB LEU 106 20.544 19.327 -19.346 810 HB3 LEU 106 2HB LEU 106 22.084 18.485 -19.503 811 HG LEU 106 HG LEU 106 20.743 19.469 -16.998 812 HD11 LEU 106 1HD1 LEU 106 21.005 17.134 -16.322 813 HD12 LEU 106 2HD1 LEU 106 21.760 16.768 -17.873 814 HD13 LEU 106 3HD1 LEU 106 20.073 17.276 -17.812 815 HD21 LEU 106 3HD2 LEU 106 22.855 20.076 -16.404 816 HD22 LEU 106 1HD2 LEU 106 23.616 18.960 -17.538 817 HD23 LEU 106 2HD2 LEU 106 22.946 18.356 -16.022 818 H ASP 107 H ASP 107 21.199 21.376 -21.432 819 HA ASP 107 HA ASP 107 22.785 20.054 -23.323 820 HB2 ASP 107 1HB ASP 107 21.070 22.530 -23.519 821 HB3 ASP 107 2HB ASP 107 21.880 21.823 -24.914 822 H TYR 108 H TYR 108 23.508 22.712 -21.354 823 HA TYR 108 HA TYR 108 25.044 24.445 -22.727 824 HB2 TYR 108 1HB TYR 108 26.181 24.930 -20.751 825 HB3 TYR 108 2HB TYR 108 24.699 24.180 -20.166 826 HD1 TYR 108 1HD TYR 108 24.765 21.754 -19.466 827 HD2 TYR 108 2HD TYR 108 28.290 24.007 -20.244 828 HE1 TYR 108 1HE TYR 108 26.090 20.102 -18.215 829 HE2 TYR 108 2HE TYR 108 29.625 22.360 -18.996 830 HH TYR 108 HH TYR 108 28.789 19.416 -18.361 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -17.494 37.343 27.571 2 HA2 GLY 1 1HA GLY 1 -17.470 37.099 30.502 3 HA3 GLY 1 2HA GLY 1 -16.376 36.107 29.550 4 H SER 2 H SER 2 -14.412 36.905 29.988 5 HA SER 2 HA SER 2 -13.946 39.738 29.362 6 HB2 SER 2 1HB SER 2 -12.891 38.241 31.772 7 HB3 SER 2 2HB SER 2 -12.308 39.824 31.257 8 HG SER 2 HG SER 2 -14.463 40.594 31.530 9 H SER 3 H SER 3 -11.406 40.079 29.373 10 HA SER 3 HA SER 3 -9.927 37.809 28.367 11 HB2 SER 3 1HB SER 3 -11.340 38.935 26.450 12 HB3 SER 3 2HB SER 3 -10.059 40.146 26.498 13 HG SER 3 HG SER 3 -10.013 37.800 25.299 14 H GLY 4 H GLY 4 -7.704 38.723 27.462 15 HA2 GLY 4 1HA GLY 4 -6.816 41.132 28.800 16 HA3 GLY 4 2HA GLY 4 -6.182 39.645 29.489 17 H SER 5 H SER 5 -4.365 41.363 28.589 18 HA SER 5 HA SER 5 -3.294 39.987 26.246 19 HB2 SER 5 1HB SER 5 -3.915 42.910 26.413 20 HB3 SER 5 2HB SER 5 -2.502 42.387 25.496 21 HG SER 5 HG SER 5 -4.052 40.889 24.441 22 H SER 6 H SER 6 -0.963 40.627 25.872 23 HA SER 6 HA SER 6 0.537 41.838 27.948 24 HB2 SER 6 1HB SER 6 0.115 38.891 28.065 25 HB3 SER 6 2HB SER 6 1.735 39.496 28.413 26 HG SER 6 HG SER 6 -0.669 40.297 29.695 27 H GLY 7 H GLY 7 2.951 41.332 27.665 28 HA2 GLY 7 1HA GLY 7 4.013 40.134 25.396 29 HA3 GLY 7 2HA GLY 7 3.619 41.786 24.944 30 H ASN 8 H ASN 8 6.202 40.991 24.787 31 HA ASN 8 HA ASN 8 7.481 42.814 26.595 32 HB2 ASN 8 1HB ASN 8 8.987 41.264 27.663 33 HB3 ASN 8 2HB ASN 8 7.338 40.719 27.956 34 HD21 ASN 8 1HD2 ASN 8 6.534 38.951 26.703 35 HD22 ASN 8 2HD2 ASN 8 7.627 37.774 26.066 36 H VAL 9 H VAL 9 9.960 42.720 26.214 37 HA VAL 9 HA VAL 9 10.968 41.612 23.820 38 HB VAL 9 HB VAL 9 9.441 43.307 22.821 39 HG11 VAL 9 1HG1 VAL 9 9.330 45.152 24.161 40 HG12 VAL 9 2HG1 VAL 9 11.047 45.100 24.566 41 HG13 VAL 9 3HG1 VAL 9 10.528 45.711 22.994 42 HG21 VAL 9 3HG2 VAL 9 12.367 43.884 22.370 43 HG22 VAL 9 1HG2 VAL 9 11.484 42.524 21.675 44 HG23 VAL 9 2HG2 VAL 9 11.047 44.176 21.237 45 H ASP 10 H ASP 10 13.160 42.323 23.348 46 HA ASP 10 HA ASP 10 14.501 44.178 25.047 47 HB2 ASP 10 1HB ASP 10 14.098 42.035 26.470 48 HB3 ASP 10 2HB ASP 10 15.382 41.341 25.485 49 H SER 11 H SER 11 17.003 43.806 24.802 50 HA SER 11 HA SER 11 17.588 42.831 22.093 51 HB2 SER 11 1HB SER 11 17.268 45.418 22.356 52 HB3 SER 11 2HB SER 11 18.874 45.355 23.082 53 HG SER 11 HG SER 11 19.718 44.674 21.193 54 H ASN 12 H ASN 12 20.055 42.833 21.735 55 HA ASN 12 HA ASN 12 21.797 42.650 23.952 56 HB2 ASN 12 1HB ASN 12 22.116 40.275 24.133 57 HB3 ASN 12 2HB ASN 12 20.397 40.600 24.333 58 HD21 ASN 12 1HD2 ASN 12 19.824 38.523 23.736 59 HD22 ASN 12 2HD2 ASN 12 19.924 37.969 22.102 60 H GLN 13 H GLN 13 23.917 41.581 23.306 61 HA GLN 13 HA GLN 13 24.364 41.874 20.411 62 HB2 GLN 13 1HB GLN 13 25.219 43.744 22.052 63 HB3 GLN 13 2HB GLN 13 26.507 42.590 22.370 64 HG2 GLN 13 1HG GLN 13 27.333 42.716 20.214 65 HG3 GLN 13 2HG GLN 13 25.818 43.341 19.564 66 HE21 GLN 13 1HE2 GLN 13 28.515 44.380 19.276 67 HE22 GLN 13 2HE2 GLN 13 28.483 45.992 19.897 68 H ASN 14 H ASN 14 26.652 40.959 19.857 69 HA ASN 14 HA ASN 14 27.561 38.760 21.452 70 HB2 ASN 14 1HB ASN 14 27.092 37.140 19.436 71 HB3 ASN 14 2HB ASN 14 25.844 37.436 20.643 72 HD21 ASN 14 1HD2 ASN 14 26.797 37.814 17.369 73 HD22 ASN 14 2HD2 ASN 14 25.329 38.518 16.792 74 H LYS 15 H LYS 15 29.376 37.614 20.433 75 HA LYS 15 HA LYS 15 30.522 38.423 17.994 76 HB2 LYS 15 1HB LYS 15 32.409 39.761 18.819 77 HB3 LYS 15 2HB LYS 15 30.871 40.556 19.128 78 HG2 LYS 15 1HG LYS 15 31.070 39.384 21.456 79 HG3 LYS 15 2HG LYS 15 32.785 39.319 21.044 80 HD2 LYS 15 1HD LYS 15 31.309 41.892 20.725 81 HD3 LYS 15 2HD LYS 15 31.793 41.374 22.341 82 HE2 LYS 15 1HE LYS 15 33.701 41.531 20.018 83 HE3 LYS 15 2HE LYS 15 33.421 42.873 21.126 84 HZ1 LYS 15 3HZ LYS 15 34.452 40.185 21.854 85 HZ2 LYS 15 1HZ LYS 15 34.118 41.425 22.956 86 HZ3 LYS 15 2HZ LYS 15 35.344 41.622 21.808 87 H ALA 16 H ALA 16 32.306 37.191 17.463 88 HA ALA 16 HA ALA 16 33.636 35.620 19.513 89 HB1 ALA 16 1HB ALA 16 31.875 34.119 19.140 90 HB2 ALA 16 2HB ALA 16 31.888 34.400 17.399 91 HB3 ALA 16 3HB ALA 16 33.203 33.503 18.157 92 H SER 17 H SER 17 35.272 34.076 18.359 93 HA SER 17 HA SER 17 37.027 35.714 16.866 94 HB2 SER 17 1HB SER 17 37.012 32.869 17.762 95 HB3 SER 17 2HB SER 17 38.136 33.323 16.481 96 HG SER 17 HG SER 17 38.233 33.864 19.144 97 H MET 18 H MET 18 35.077 32.884 15.941 98 HA MET 18 HA MET 18 34.628 31.993 13.872 99 HB2 MET 18 1HB MET 18 33.783 33.998 12.323 100 HB3 MET 18 2HB MET 18 32.840 33.391 13.677 101 HG2 MET 18 1HG MET 18 33.775 35.175 15.093 102 HG3 MET 18 2HG MET 18 34.636 35.804 13.690 103 HE1 MET 18 3HE MET 18 31.912 35.753 15.856 104 HE2 MET 18 1HE MET 18 31.791 37.481 15.525 105 HE3 MET 18 2HE MET 18 30.471 36.403 15.073 106 H LEU 19 H LEU 19 37.400 32.528 14.191 107 HA LEU 19 HA LEU 19 38.151 33.327 11.457 108 HB2 LEU 19 1HB LEU 19 39.086 34.825 13.098 109 HB3 LEU 19 2HB LEU 19 39.733 33.468 14.018 110 HG LEU 19 HG LEU 19 41.171 32.968 11.982 111 HD11 LEU 19 1HD1 LEU 19 40.831 34.146 10.138 112 HD12 LEU 19 2HD1 LEU 19 41.354 35.595 10.995 113 HD13 LEU 19 3HD1 LEU 19 39.646 35.160 10.962 114 HD21 LEU 19 3HD2 LEU 19 41.563 35.535 13.516 115 HD22 LEU 19 1HD2 LEU 19 42.814 34.712 12.584 116 HD23 LEU 19 2HD2 LEU 19 42.103 33.925 13.993 117 H GLN 20 H GLN 20 38.884 31.085 14.105 118 HA GLN 20 HA GLN 20 40.810 29.490 13.144 119 HB2 GLN 20 1HB GLN 20 38.230 28.677 14.473 120 HB3 GLN 20 2HB GLN 20 39.516 27.526 14.135 121 HG2 GLN 20 1HG GLN 20 39.736 28.222 16.393 122 HG3 GLN 20 2HG GLN 20 41.052 28.952 15.477 123 HE21 GLN 20 1HE2 GLN 20 41.464 30.799 16.487 124 HE22 GLN 20 2HE2 GLN 20 40.301 32.021 16.858 125 H ALA 21 H ALA 21 41.209 28.476 11.301 126 HA ALA 21 HA ALA 21 38.970 27.865 9.506 127 HB1 ALA 21 1HB ALA 21 41.798 28.611 9.105 128 HB2 ALA 21 2HB ALA 21 41.122 27.451 7.961 129 HB3 ALA 21 3HB ALA 21 40.366 29.031 8.165 130 H ARG 22 H ARG 22 39.057 25.855 8.264 131 HA ARG 22 HA ARG 22 40.741 23.703 8.998 132 HB2 ARG 22 1HB ARG 22 39.058 24.085 10.997 133 HB3 ARG 22 2HB ARG 22 37.950 23.212 9.946 134 HG2 ARG 22 1HG ARG 22 39.401 21.302 9.904 135 HG3 ARG 22 2HG ARG 22 40.646 22.180 10.795 136 HD2 ARG 22 1HD ARG 22 39.097 22.381 12.703 137 HD3 ARG 22 2HD ARG 22 37.906 21.436 11.811 138 HE ARG 22 HE ARG 22 40.227 20.448 13.184 139 HH11 ARG 22 2HH1 ARG 22 37.938 19.837 10.634 140 HH12 ARG 22 1HH1 ARG 22 38.168 18.120 10.661 141 HH21 ARG 22 2HH2 ARG 22 40.539 18.189 13.230 142 HH22 ARG 22 1HH2 ARG 22 39.648 17.184 12.139 143 H LEU 23 H LEU 23 39.962 21.610 8.049 144 HA LEU 23 HA LEU 23 39.533 21.650 5.420 145 HB2 LEU 23 1HB LEU 23 38.182 19.702 7.282 146 HB3 LEU 23 2HB LEU 23 38.484 19.447 5.565 147 HG LEU 23 HG LEU 23 40.712 19.871 7.541 148 HD11 LEU 23 1HD1 LEU 23 40.039 17.935 8.466 149 HD12 LEU 23 2HD1 LEU 23 40.784 17.221 7.036 150 HD13 LEU 23 3HD1 LEU 23 39.042 17.493 7.079 151 HD21 LEU 23 3HD2 LEU 23 41.428 20.193 5.310 152 HD22 LEU 23 1HD2 LEU 23 40.518 18.794 4.738 153 HD23 LEU 23 2HD2 LEU 23 41.938 18.565 5.760 154 H ASN 24 H ASN 24 38.136 22.715 4.194 155 HA ASN 24 HA ASN 24 35.399 23.126 5.163 156 HB2 ASN 24 1HB ASN 24 36.162 25.216 4.556 157 HB3 ASN 24 2HB ASN 24 37.182 24.587 3.266 158 HD21 ASN 24 1HD2 ASN 24 36.534 25.270 1.370 159 HD22 ASN 24 2HD2 ASN 24 34.896 25.462 0.856 160 H ASP 25 H ASP 25 36.986 22.502 2.028 161 HA ASP 25 HA ASP 25 34.582 21.300 0.978 162 HB2 ASP 25 1HB ASP 25 36.074 22.674 -0.443 163 HB3 ASP 25 2HB ASP 25 37.345 21.471 -0.244 164 H GLU 26 H GLU 26 34.340 19.145 0.314 165 HA GLU 26 HA GLU 26 36.358 17.232 1.231 166 HB2 GLU 26 1HB GLU 26 34.536 17.606 2.985 167 HB3 GLU 26 2HB GLU 26 33.439 16.827 1.853 168 HG2 GLU 26 1HG GLU 26 34.368 14.769 2.143 169 HG3 GLU 26 2HG GLU 26 35.958 15.420 2.540 170 H ALA 27 H ALA 27 36.069 15.075 0.332 171 HA ALA 27 HA ALA 27 34.931 15.219 -2.360 172 HB1 ALA 27 1HB ALA 27 37.351 14.323 -1.519 173 HB2 ALA 27 2HB ALA 27 36.440 12.815 -1.617 174 HB3 ALA 27 3HB ALA 27 36.580 13.854 -3.035 175 H GLY 28 H GLY 28 32.727 15.007 -1.568 176 HA2 GLY 28 1HA GLY 28 30.841 13.664 -1.519 177 HA3 GLY 28 2HA GLY 28 31.888 12.254 -1.571 178 H GLY 29 H GLY 29 32.081 11.070 0.225 179 HA2 GLY 29 1HA GLY 29 31.819 12.283 2.844 180 HA3 GLY 29 2HA GLY 29 30.509 11.197 2.406 181 H THR 30 H THR 30 31.262 10.011 4.321 182 HA THR 30 HA THR 30 33.620 8.343 3.732 183 HB THR 30 HB THR 30 33.598 7.839 6.212 184 HG1 THR 30 1HG THR 30 32.125 10.215 6.541 185 HG21 THR 30 3HG2 THR 30 35.210 9.388 5.235 186 HG22 THR 30 1HG2 THR 30 34.698 9.951 6.825 187 HG23 THR 30 2HG2 THR 30 34.046 10.706 5.371 188 H ARG 31 H ARG 31 33.477 6.120 3.932 189 HA ARG 31 HA ARG 31 30.900 4.949 4.651 190 HB2 ARG 31 1HB ARG 31 32.259 4.616 1.980 191 HB3 ARG 31 2HB ARG 31 31.062 3.478 2.582 192 HG2 ARG 31 1HG ARG 31 29.627 5.666 2.880 193 HG3 ARG 31 2HG ARG 31 30.720 6.269 1.632 194 HD2 ARG 31 1HD ARG 31 30.105 4.461 0.159 195 HD3 ARG 31 2HD ARG 31 29.119 3.723 1.421 196 HE ARG 31 HE ARG 31 27.437 5.183 0.906 197 HH11 ARG 31 2HH1 ARG 31 30.415 6.357 -0.461 198 HH12 ARG 31 1HH1 ARG 31 29.656 7.638 -1.347 199 HH21 ARG 31 2HH2 ARG 31 26.425 6.866 -0.256 200 HH22 ARG 31 1HH2 ARG 31 27.386 7.927 -1.229 201 H LEU 32 H LEU 32 31.384 3.521 6.176 202 HA LEU 32 HA LEU 32 33.958 2.133 6.097 203 HB2 LEU 32 1HB LEU 32 31.863 2.328 8.255 204 HB3 LEU 32 2HB LEU 32 33.372 1.429 8.400 205 HG LEU 32 HG LEU 32 33.292 4.394 7.890 206 HD11 LEU 32 1HD1 LEU 32 34.044 3.777 10.562 207 HD12 LEU 32 2HD1 LEU 32 32.468 3.055 10.240 208 HD13 LEU 32 3HD1 LEU 32 32.714 4.784 9.991 209 HD21 LEU 32 3HD2 LEU 32 35.454 2.729 9.151 210 HD22 LEU 32 1HD2 LEU 32 35.563 4.369 8.514 211 HD23 LEU 32 2HD2 LEU 32 35.362 3.007 7.412 212 H LEU 33 H LEU 33 34.086 -0.154 6.424 213 HA LEU 33 HA LEU 33 31.656 -1.607 5.609 214 HB2 LEU 33 1HB LEU 33 33.007 -1.698 3.715 215 HB3 LEU 33 2HB LEU 33 34.484 -1.865 4.663 216 HG LEU 33 HG LEU 33 33.665 -4.175 5.294 217 HD11 LEU 33 1HD1 LEU 33 31.822 -5.105 4.368 218 HD12 LEU 33 2HD1 LEU 33 31.962 -4.175 2.877 219 HD13 LEU 33 3HD1 LEU 33 31.292 -3.423 4.325 220 HD21 LEU 33 3HD2 LEU 33 35.405 -4.213 3.791 221 HD22 LEU 33 1HD2 LEU 33 34.505 -3.328 2.559 222 HD23 LEU 33 2HD2 LEU 33 34.139 -5.025 2.868 223 H ARG 34 H ARG 34 31.020 -2.455 7.522 224 HA ARG 34 HA ARG 34 32.941 -4.222 8.883 225 HB2 ARG 34 1HB ARG 34 30.948 -2.325 10.120 226 HB3 ARG 34 2HB ARG 34 31.686 -3.647 11.015 227 HG2 ARG 34 1HG ARG 34 33.395 -1.653 9.590 228 HG3 ARG 34 2HG ARG 34 32.707 -1.281 11.172 229 HD2 ARG 34 1HD ARG 34 34.754 -2.184 11.739 230 HD3 ARG 34 2HD ARG 34 33.691 -3.586 11.850 231 HE ARG 34 HE ARG 34 34.708 -3.509 9.261 232 HH11 ARG 34 2HH1 ARG 34 35.873 -3.929 12.515 233 HH12 ARG 34 1HH1 ARG 34 37.208 -4.929 12.046 234 HH21 ARG 34 2HH2 ARG 34 36.462 -4.824 8.632 235 HH22 ARG 34 1HH2 ARG 34 37.543 -5.436 9.837 236 H VAL 35 H VAL 35 32.295 -6.265 8.920 237 HA VAL 35 HA VAL 35 30.980 -8.104 8.541 238 HB VAL 35 HB VAL 35 28.942 -6.742 10.281 239 HG11 VAL 35 1HG1 VAL 35 28.250 -8.889 9.576 240 HG12 VAL 35 2HG1 VAL 35 29.846 -9.582 9.870 241 HG13 VAL 35 3HG1 VAL 35 28.835 -9.086 11.228 242 HG21 VAL 35 3HG2 VAL 35 31.296 -6.366 11.126 243 HG22 VAL 35 1HG2 VAL 35 30.202 -7.198 12.231 244 HG23 VAL 35 2HG2 VAL 35 31.408 -8.114 11.328 245 H HIS 36 H HIS 36 30.725 -6.517 6.388 246 HA HIS 36 HA HIS 36 29.316 -5.714 4.744 247 HB2 HIS 36 1HB HIS 36 29.383 -8.327 4.722 248 HB3 HIS 36 2HB HIS 36 27.708 -8.195 5.249 249 HD1 HIS 36 1HD HIS 36 28.548 -9.392 2.488 250 HD2 HIS 36 2HD HIS 36 27.301 -5.480 3.122 251 HE1 HIS 36 1HE HIS 36 27.691 -8.591 0.264 252 HE2 HIS 36 2HE HIS 36 27.021 -6.194 0.652 253 H HIS 37 H HIS 37 28.605 -4.506 7.124 254 HA HIS 37 HA HIS 37 26.043 -4.732 8.064 255 HB2 HIS 37 1HB HIS 37 26.316 -2.643 8.993 256 HB3 HIS 37 2HB HIS 37 27.992 -3.037 8.621 257 HD1 HIS 37 1HD HIS 37 25.557 -0.437 8.179 258 HD2 HIS 37 2HD HIS 37 28.783 -1.870 5.986 259 HE1 HIS 37 1HE HIS 37 26.143 1.401 6.566 260 HE2 HIS 37 2HE HIS 37 28.042 0.478 5.192 261 H GLU 38 H GLU 38 24.090 -4.600 7.188 262 HA GLU 38 HA GLU 38 23.670 -4.028 4.466 263 HB2 GLU 38 1HB GLU 38 22.230 -5.351 6.251 264 HB3 GLU 38 2HB GLU 38 21.422 -3.799 6.416 265 HG2 GLU 38 1HG GLU 38 20.421 -5.463 4.787 266 HG3 GLU 38 2HG GLU 38 20.674 -3.820 4.203 267 H SER 39 H SER 39 22.573 -2.299 3.461 268 HA SER 39 HA SER 39 23.028 0.264 4.783 269 HB2 SER 39 1HB SER 39 22.854 1.256 2.594 270 HB3 SER 39 2HB SER 39 23.886 -0.168 2.461 271 HG SER 39 HG SER 39 22.133 -1.303 1.607 272 H ASP 40 H ASP 40 21.293 0.377 6.206 273 HA ASP 40 HA ASP 40 18.599 0.325 5.049 274 HB2 ASP 40 1HB ASP 40 19.198 0.623 7.979 275 HB3 ASP 40 2HB ASP 40 17.757 -0.032 7.208 276 H THR 41 H THR 41 18.339 2.283 4.078 277 HA THR 41 HA THR 41 18.088 4.576 5.846 278 HB THR 41 HB THR 41 19.342 6.054 4.249 279 HG1 THR 41 1HG THR 41 19.912 3.529 3.128 280 HG21 THR 41 3HG2 THR 41 20.246 4.806 6.414 281 HG22 THR 41 1HG2 THR 41 21.294 5.810 5.413 282 HG23 THR 41 2HG2 THR 41 21.313 4.056 5.228 283 H GLU 42 H GLU 42 16.026 5.091 5.480 284 HA GLU 42 HA GLU 42 14.842 4.768 2.858 285 HB2 GLU 42 1HB GLU 42 12.768 5.131 3.885 286 HB3 GLU 42 2HB GLU 42 13.702 4.277 5.105 287 HG2 GLU 42 1HG GLU 42 13.009 7.193 5.002 288 HG3 GLU 42 2HG GLU 42 12.570 6.004 6.228 289 H GLU 43 H GLU 43 16.962 6.833 3.479 290 HA GLU 43 HA GLU 43 15.626 9.368 3.215 291 HB2 GLU 43 1HB GLU 43 17.613 9.694 4.307 292 HB3 GLU 43 2HB GLU 43 18.441 8.433 3.405 293 HG2 GLU 43 1HG GLU 43 19.027 9.831 1.710 294 HG3 GLU 43 2HG GLU 43 17.623 10.873 1.933 295 H ARG 44 H ARG 44 17.757 7.441 1.104 296 HA ARG 44 HA ARG 44 17.877 8.899 -1.149 297 HB2 ARG 44 1HB ARG 44 18.202 6.925 -2.376 298 HB3 ARG 44 2HB ARG 44 18.683 6.499 -0.739 299 HG2 ARG 44 1HG ARG 44 17.409 4.689 -1.226 300 HG3 ARG 44 2HG ARG 44 16.150 5.746 -0.586 301 HD2 ARG 44 1HD ARG 44 15.824 6.519 -3.001 302 HD3 ARG 44 2HD ARG 44 16.791 5.115 -3.451 303 HE ARG 44 HE ARG 44 14.703 4.318 -1.735 304 HH11 ARG 44 2HH1 ARG 44 15.263 5.432 -4.986 305 HH12 ARG 44 1HH1 ARG 44 13.882 4.618 -5.642 306 HH21 ARG 44 2HH2 ARG 44 12.882 3.241 -2.587 307 HH22 ARG 44 1HH2 ARG 44 12.528 3.372 -4.276 308 H GLY 45 H GLY 45 16.472 9.932 -2.398 309 HA2 GLY 45 1HA GLY 45 14.593 10.245 -3.729 310 HA3 GLY 45 2HA GLY 45 13.973 8.700 -3.167 311 H PHE 46 H PHE 46 14.087 9.228 -0.383 312 HA PHE 46 HA PHE 46 11.600 10.506 -0.020 313 HB2 PHE 46 1HB PHE 46 12.103 8.919 1.615 314 HB3 PHE 46 2HB PHE 46 13.741 9.525 1.840 315 HD1 PHE 46 1HD PHE 46 10.254 10.832 2.135 316 HD2 PHE 46 2HD PHE 46 14.147 10.566 3.833 317 HE1 PHE 46 1HE PHE 46 9.495 12.147 4.071 318 HE2 PHE 46 2HE PHE 46 13.395 11.880 5.773 319 HZ PHE 46 HZ PHE 46 11.066 12.671 5.894 320 H LEU 47 H LEU 47 14.787 11.518 1.230 321 HA LEU 47 HA LEU 47 13.882 14.160 1.808 322 HB2 LEU 47 1HB LEU 47 16.517 12.759 1.849 323 HB3 LEU 47 2HB LEU 47 16.469 14.516 1.969 324 HG LEU 47 HG LEU 47 15.090 12.617 3.865 325 HD11 LEU 47 1HD1 LEU 47 17.825 13.573 3.725 326 HD12 LEU 47 2HD1 LEU 47 17.115 12.316 4.737 327 HD13 LEU 47 3HD1 LEU 47 17.037 14.003 5.243 328 HD21 LEU 47 3HD2 LEU 47 15.482 15.606 3.924 329 HD22 LEU 47 1HD2 LEU 47 14.833 14.642 5.251 330 HD23 LEU 47 2HD2 LEU 47 13.955 14.745 3.724 331 H GLU 48 H GLU 48 15.761 12.693 -0.799 332 HA GLU 48 HA GLU 48 16.606 14.982 -2.119 333 HB2 GLU 48 1HB GLU 48 16.042 12.178 -2.936 334 HB3 GLU 48 2HB GLU 48 16.214 13.372 -4.215 335 HG2 GLU 48 1HG GLU 48 18.346 12.466 -3.944 336 HG3 GLU 48 2HG GLU 48 18.405 14.019 -3.112 337 H LYS 49 H LYS 49 13.739 13.035 -2.972 338 HA LYS 49 HA LYS 49 12.616 14.659 -4.858 339 HB2 LYS 49 1HB LYS 49 11.799 12.396 -3.962 340 HB3 LYS 49 2HB LYS 49 10.931 13.325 -2.747 341 HG2 LYS 49 1HG LYS 49 9.680 14.471 -4.477 342 HG3 LYS 49 2HG LYS 49 10.589 13.617 -5.726 343 HD2 LYS 49 1HD LYS 49 9.725 11.473 -4.784 344 HD3 LYS 49 2HD LYS 49 8.704 12.418 -3.698 345 HE2 LYS 49 1HE LYS 49 7.798 13.542 -5.797 346 HE3 LYS 49 2HE LYS 49 8.593 12.253 -6.698 347 HZ1 LYS 49 3HZ LYS 49 6.243 12.138 -4.975 348 HZ2 LYS 49 1HZ LYS 49 7.279 10.802 -4.941 349 HZ3 LYS 49 2HZ LYS 49 6.582 11.294 -6.401 350 H ALA 50 H ALA 50 12.419 15.007 -1.352 351 HA ALA 50 HA ALA 50 10.530 17.096 -1.294 352 HB1 ALA 50 1HB ALA 50 10.939 17.225 0.958 353 HB2 ALA 50 2HB ALA 50 11.530 15.599 0.615 354 HB3 ALA 50 3HB ALA 50 12.669 16.935 0.773 355 H ALA 51 H ALA 51 14.089 17.210 -1.078 356 HA ALA 51 HA ALA 51 14.364 19.981 -1.005 357 HB1 ALA 51 1HB ALA 51 16.322 18.130 -2.342 358 HB2 ALA 51 2HB ALA 51 16.649 19.654 -1.516 359 HB3 ALA 51 3HB ALA 51 16.146 18.240 -0.590 360 H VAL 52 H VAL 52 14.856 17.889 -3.858 361 HA VAL 52 HA VAL 52 15.138 19.806 -5.788 362 HB VAL 52 HB VAL 52 13.532 17.284 -6.201 363 HG11 VAL 52 1HG1 VAL 52 13.732 17.638 -8.404 364 HG12 VAL 52 2HG1 VAL 52 14.079 19.309 -7.953 365 HG13 VAL 52 3HG1 VAL 52 15.402 18.184 -8.261 366 HG21 VAL 52 3HG2 VAL 52 15.832 16.359 -6.864 367 HG22 VAL 52 1HG2 VAL 52 16.490 17.704 -5.932 368 HG23 VAL 52 2HG2 VAL 52 15.466 16.503 -5.145 369 H LYS 53 H LYS 53 12.054 18.334 -4.770 370 HA LYS 53 HA LYS 53 10.355 19.794 -6.405 371 HB2 LYS 53 1HB LYS 53 9.949 18.623 -3.657 372 HB3 LYS 53 2HB LYS 53 8.646 19.397 -4.550 373 HG2 LYS 53 1HG LYS 53 10.243 17.090 -5.630 374 HG3 LYS 53 2HG LYS 53 8.742 16.899 -4.721 375 HD2 LYS 53 1HD LYS 53 8.804 18.725 -7.083 376 HD3 LYS 53 2HD LYS 53 8.710 16.981 -7.339 377 HE2 LYS 53 1HE LYS 53 6.820 18.571 -5.608 378 HE3 LYS 53 2HE LYS 53 6.495 18.100 -7.275 379 HZ1 LYS 53 3HZ LYS 53 5.747 16.652 -5.187 380 HZ2 LYS 53 1HZ LYS 53 7.266 15.961 -5.463 381 HZ3 LYS 53 2HZ LYS 53 6.106 15.972 -6.694 382 H LYS 54 H LYS 54 11.331 20.532 -3.059 383 HA LYS 54 HA LYS 54 9.960 22.887 -2.683 384 HB2 LYS 54 1HB LYS 54 12.524 21.794 -1.635 385 HB3 LYS 54 2HB LYS 54 12.179 23.492 -1.332 386 HG2 LYS 54 1HG LYS 54 10.340 21.220 -0.608 387 HG3 LYS 54 2HG LYS 54 11.474 21.994 0.501 388 HD2 LYS 54 1HD LYS 54 10.260 24.184 -0.260 389 HD3 LYS 54 2HD LYS 54 8.967 23.071 -0.714 390 HE2 LYS 54 1HE LYS 54 8.648 22.361 1.486 391 HE3 LYS 54 2HE LYS 54 10.223 22.956 2.005 392 HZ1 LYS 54 3HZ LYS 54 9.441 25.205 1.792 393 HZ2 LYS 54 1HZ LYS 54 8.373 24.344 2.783 394 HZ3 LYS 54 2HZ LYS 54 7.953 24.683 1.180 395 H MET 55 H MET 55 13.282 22.578 -3.949 396 HA MET 55 HA MET 55 13.737 25.258 -4.498 397 HB2 MET 55 1HB MET 55 14.736 22.870 -6.059 398 HB3 MET 55 2HB MET 55 15.429 24.485 -6.103 399 HG2 MET 55 1HG MET 55 15.195 23.126 -3.474 400 HG3 MET 55 2HG MET 55 16.438 22.579 -4.596 401 HE1 MET 55 3HE MET 55 18.621 25.195 -5.365 402 HE2 MET 55 1HE MET 55 19.184 24.259 -3.981 403 HE3 MET 55 2HE MET 55 18.240 23.477 -5.249 404 H ALA 56 H ALA 56 12.219 22.783 -6.526 405 HA ALA 56 HA ALA 56 11.951 24.180 -8.893 406 HB1 ALA 56 1HB ALA 56 10.474 22.560 -9.549 407 HB2 ALA 56 2HB ALA 56 11.247 21.746 -8.189 408 HB3 ALA 56 3HB ALA 56 9.669 22.503 -7.980 409 H LYS 57 H LYS 57 9.630 24.069 -6.190 410 HA LYS 57 HA LYS 57 7.697 25.758 -7.206 411 HB2 LYS 57 1HB LYS 57 8.584 25.668 -4.318 412 HB3 LYS 57 2HB LYS 57 7.004 26.151 -4.922 413 HG2 LYS 57 1HG LYS 57 6.316 24.017 -5.239 414 HG3 LYS 57 2HG LYS 57 7.936 23.436 -5.633 415 HD2 LYS 57 1HD LYS 57 7.688 22.472 -3.580 416 HD3 LYS 57 2HD LYS 57 8.360 24.026 -3.082 417 HE2 LYS 57 1HE LYS 57 5.410 23.800 -3.364 418 HE3 LYS 57 2HE LYS 57 6.171 23.022 -1.977 419 HZ1 LYS 57 3HZ LYS 57 7.227 25.189 -1.473 420 HZ2 LYS 57 1HZ LYS 57 5.539 25.223 -1.365 421 HZ3 LYS 57 2HZ LYS 57 6.314 25.894 -2.710 422 H ALA 58 H ALA 58 10.418 26.694 -5.096 423 HA ALA 58 HA ALA 58 10.066 29.389 -4.957 424 HB1 ALA 58 1HB ALA 58 12.842 28.533 -5.513 425 HB2 ALA 58 2HB ALA 58 12.196 29.508 -4.193 426 HB3 ALA 58 3HB ALA 58 12.021 27.754 -4.160 427 H ILE 59 H ILE 59 11.421 27.575 -7.665 428 HA ILE 59 HA ILE 59 12.222 29.820 -9.192 429 HB ILE 59 HB ILE 59 11.461 27.070 -10.183 430 HG12 ILE 59 1HG1 ILE 59 14.199 28.151 -9.487 431 HG13 ILE 59 2HG1 ILE 59 13.253 27.106 -8.433 432 HG21 ILE 59 1HG2 ILE 59 11.694 29.141 -11.771 433 HG22 ILE 59 2HG2 ILE 59 13.419 28.862 -11.537 434 HG23 ILE 59 3HG2 ILE 59 12.403 27.587 -12.212 435 HD11 ILE 59 3HD1 ILE 59 14.967 25.884 -9.678 436 HD12 ILE 59 1HD1 ILE 59 13.339 25.331 -10.071 437 HD13 ILE 59 2HD1 ILE 59 14.209 26.380 -11.191 438 H MET 60 H MET 60 9.379 27.687 -9.517 439 HA MET 60 HA MET 60 8.058 28.857 -11.576 440 HB2 MET 60 1HB MET 60 6.668 28.032 -9.026 441 HB3 MET 60 2HB MET 60 6.001 28.029 -10.653 442 HG2 MET 60 1HG MET 60 8.024 26.381 -11.083 443 HG3 MET 60 2HG MET 60 7.846 26.112 -9.351 444 HE1 MET 60 3HE MET 60 5.075 26.637 -8.794 445 HE2 MET 60 1HE MET 60 3.907 25.445 -9.368 446 HE3 MET 60 2HE MET 60 5.241 24.943 -8.328 447 H ALA 61 H ALA 61 8.229 30.043 -8.260 448 HA ALA 61 HA ALA 61 6.383 32.187 -8.658 449 HB1 ALA 61 1HB ALA 61 6.878 31.179 -6.445 450 HB2 ALA 61 2HB ALA 61 8.478 31.918 -6.508 451 HB3 ALA 61 3HB ALA 61 7.037 32.935 -6.472 452 H ASP 62 H ASP 62 9.906 32.229 -8.073 453 HA ASP 62 HA ASP 62 10.032 34.718 -9.647 454 HB2 ASP 62 1HB ASP 62 11.422 33.845 -7.158 455 HB3 ASP 62 2HB ASP 62 12.313 34.866 -8.283 456 HA PRO 63 HA PRO 63 12.430 32.370 -12.539 457 HB2 PRO 63 1HB PRO 63 13.234 34.465 -14.068 458 HB3 PRO 63 2HB PRO 63 11.599 33.797 -14.136 459 HG2 PRO 63 1HG PRO 63 12.598 36.216 -12.683 460 HG3 PRO 63 2HG PRO 63 11.111 36.014 -13.628 461 HD2 PRO 63 1HD PRO 63 11.144 35.910 -10.922 462 HD3 PRO 63 2HD PRO 63 10.008 34.959 -11.901 463 H ASN 64 H ASN 64 13.642 34.987 -10.594 464 HA ASN 64 HA ASN 64 16.327 35.009 -11.346 465 HB2 ASN 64 1HB ASN 64 15.005 35.567 -8.689 466 HB3 ASN 64 2HB ASN 64 16.724 35.821 -8.975 467 HD21 ASN 64 1HD2 ASN 64 13.526 36.960 -9.554 468 HD22 ASN 64 2HD2 ASN 64 13.962 38.440 -10.331 469 H LYS 65 H LYS 65 14.725 33.119 -8.792 470 HA LYS 65 HA LYS 65 16.931 31.753 -7.822 471 HB2 LYS 65 1HB LYS 65 14.023 31.020 -8.024 472 HB3 LYS 65 2HB LYS 65 15.190 29.899 -7.335 473 HG2 LYS 65 1HG LYS 65 15.068 32.696 -6.311 474 HG3 LYS 65 2HG LYS 65 13.852 31.522 -5.800 475 HD2 LYS 65 1HD LYS 65 15.376 30.237 -4.662 476 HD3 LYS 65 2HD LYS 65 16.726 30.746 -5.679 477 HE2 LYS 65 1HE LYS 65 17.204 31.868 -3.735 478 HE3 LYS 65 2HE LYS 65 16.260 33.084 -4.593 479 HZ1 LYS 65 3HZ LYS 65 15.679 32.649 -2.177 480 HZ2 LYS 65 1HZ LYS 65 15.000 31.192 -2.703 481 HZ3 LYS 65 2HZ LYS 65 14.395 32.662 -3.279 482 H ALA 66 H ALA 66 14.847 30.959 -10.571 483 HA ALA 66 HA ALA 66 15.536 28.484 -11.310 484 HB1 ALA 66 1HB ALA 66 15.873 30.306 -13.570 485 HB2 ALA 66 2HB ALA 66 14.697 29.016 -13.316 486 HB3 ALA 66 3HB ALA 66 14.421 30.611 -12.616 487 H ASP 67 H ASP 67 17.466 31.240 -12.502 488 HA ASP 67 HA ASP 67 19.577 29.925 -13.586 489 HB2 ASP 67 1HB ASP 67 19.966 32.364 -11.851 490 HB3 ASP 67 2HB ASP 67 20.893 31.890 -13.272 491 H GLU 68 H GLU 68 19.411 30.945 -10.171 492 HA GLU 68 HA GLU 68 21.803 29.774 -9.344 493 HB2 GLU 68 1HB GLU 68 19.262 30.268 -7.784 494 HB3 GLU 68 2HB GLU 68 20.801 29.826 -7.058 495 HG2 GLU 68 1HG GLU 68 20.494 32.254 -8.790 496 HG3 GLU 68 2HG GLU 68 20.171 32.284 -7.058 497 H VAL 69 H VAL 69 18.527 28.491 -8.737 498 HA VAL 69 HA VAL 69 19.148 26.033 -7.746 499 HB VAL 69 HB VAL 69 16.921 26.648 -9.693 500 HG11 VAL 69 1HG1 VAL 69 16.560 24.447 -9.677 501 HG12 VAL 69 2HG1 VAL 69 17.725 24.185 -8.377 502 HG13 VAL 69 3HG1 VAL 69 16.066 24.647 -7.996 503 HG21 VAL 69 3HG2 VAL 69 16.559 26.398 -6.745 504 HG22 VAL 69 1HG2 VAL 69 17.216 27.897 -7.403 505 HG23 VAL 69 2HG2 VAL 69 15.628 27.327 -7.920 506 H TYR 70 H TYR 70 18.466 26.597 -11.206 507 HA TYR 70 HA TYR 70 18.982 24.244 -12.341 508 HB2 TYR 70 1HB TYR 70 20.021 26.930 -13.249 509 HB3 TYR 70 2HB TYR 70 20.096 25.482 -14.247 510 HD1 TYR 70 1HD TYR 70 17.483 24.239 -13.673 511 HD2 TYR 70 2HD TYR 70 18.496 28.317 -14.338 512 HE1 TYR 70 1HE TYR 70 15.198 24.669 -14.474 513 HE2 TYR 70 2HE TYR 70 16.214 28.760 -15.140 514 HH TYR 70 HH TYR 70 14.074 27.910 -15.165 515 H LYS 71 H LYS 71 21.609 26.538 -11.589 516 HA LYS 71 HA LYS 71 23.705 24.761 -12.211 517 HB2 LYS 71 1HB LYS 71 23.462 27.352 -10.770 518 HB3 LYS 71 2HB LYS 71 24.923 26.412 -10.496 519 HG2 LYS 71 1HG LYS 71 25.508 27.807 -12.246 520 HG3 LYS 71 2HG LYS 71 25.078 26.303 -13.062 521 HD2 LYS 71 1HD LYS 71 23.081 27.161 -13.867 522 HD3 LYS 71 2HD LYS 71 23.006 28.417 -12.629 523 HE2 LYS 71 1HE LYS 71 23.540 29.499 -14.671 524 HE3 LYS 71 2HE LYS 71 25.021 29.458 -13.716 525 HZ1 LYS 71 3HZ LYS 71 25.808 28.738 -15.709 526 HZ2 LYS 71 1HZ LYS 71 24.350 28.014 -16.171 527 HZ3 LYS 71 2HZ LYS 71 25.362 27.242 -15.057 528 H LYS 72 H LYS 72 22.127 25.569 -9.142 529 HA LYS 72 HA LYS 72 23.740 24.131 -7.406 530 HB2 LYS 72 1HB LYS 72 20.784 24.720 -7.328 531 HB3 LYS 72 2HB LYS 72 21.621 23.915 -6.008 532 HG2 LYS 72 1HG LYS 72 23.098 25.864 -5.778 533 HG3 LYS 72 2HG LYS 72 22.206 26.673 -7.069 534 HD2 LYS 72 1HD LYS 72 20.303 26.926 -5.767 535 HD3 LYS 72 2HD LYS 72 20.758 25.620 -4.670 536 HE2 LYS 72 1HE LYS 72 21.006 27.755 -3.558 537 HE3 LYS 72 2HE LYS 72 22.590 27.020 -3.804 538 HZ1 LYS 72 3HZ LYS 72 23.083 29.050 -4.595 539 HZ2 LYS 72 1HZ LYS 72 21.475 29.443 -4.946 540 HZ3 LYS 72 2HZ LYS 72 22.365 28.483 -6.017 541 H TRP 73 H TRP 73 20.703 23.010 -8.909 542 HA TRP 73 HA TRP 73 20.608 20.442 -8.020 543 HB2 TRP 73 1HB TRP 73 19.848 21.675 -10.643 544 HB3 TRP 73 2HB TRP 73 19.700 19.933 -10.428 545 HD1 TRP 73 HD TRP 73 18.722 20.169 -7.304 546 HE1 TRP 73 1HE TRP 73 16.282 20.868 -6.874 547 HE3 TRP 73 3HE TRP 73 17.706 22.383 -11.799 548 HZ2 TRP 73 2HZ TRP 73 14.202 22.183 -8.257 549 HZ3 TRP 73 3HZ TRP 73 15.468 23.337 -12.165 550 HH2 TRP 73 HH TRP 73 13.753 23.237 -10.430 551 H ALA 74 H ALA 74 22.138 21.329 -11.123 552 HA ALA 74 HA ALA 74 23.314 18.912 -11.708 553 HB1 ALA 74 1HB ALA 74 24.496 21.631 -12.263 554 HB2 ALA 74 2HB ALA 74 24.865 20.131 -13.116 555 HB3 ALA 74 3HB ALA 74 23.255 20.840 -13.235 556 H ASP 75 H ASP 75 24.542 21.494 -9.628 557 HA ASP 75 HA ASP 75 27.097 20.413 -9.168 558 HB2 ASP 75 1HB ASP 75 25.364 22.421 -7.813 559 HB3 ASP 75 2HB ASP 75 26.727 21.774 -6.904 560 H LYS 76 H LYS 76 24.021 19.983 -7.476 561 HA LYS 76 HA LYS 76 24.942 18.504 -5.296 562 HB2 LYS 76 1HB LYS 76 22.294 18.229 -6.730 563 HB3 LYS 76 2HB LYS 76 22.644 17.675 -5.097 564 HG2 LYS 76 1HG LYS 76 22.985 20.554 -5.830 565 HG3 LYS 76 2HG LYS 76 21.393 19.904 -5.429 566 HD2 LYS 76 1HD LYS 76 22.269 19.123 -3.272 567 HD3 LYS 76 2HD LYS 76 23.849 19.801 -3.675 568 HE2 LYS 76 1HE LYS 76 21.358 21.479 -3.636 569 HE3 LYS 76 2HE LYS 76 22.307 21.188 -2.179 570 HZ1 LYS 76 3HZ LYS 76 23.650 22.816 -2.799 571 HZ2 LYS 76 1HZ LYS 76 22.779 23.047 -4.231 572 HZ3 LYS 76 2HZ LYS 76 24.071 21.956 -4.194 573 H GLY 77 H GLY 77 23.694 17.344 -8.428 574 HA2 GLY 77 1HA GLY 77 25.116 15.512 -9.406 575 HA3 GLY 77 2HA GLY 77 24.955 14.738 -7.836 576 H TYR 78 H TYR 78 22.602 16.360 -9.959 577 HA TYR 78 HA TYR 78 20.979 13.904 -9.847 578 HB2 TYR 78 1HB TYR 78 19.982 16.721 -10.300 579 HB3 TYR 78 2HB TYR 78 19.005 15.279 -10.050 580 HD1 TYR 78 1HD TYR 78 20.028 13.974 -7.761 581 HD2 TYR 78 2HD TYR 78 19.816 18.157 -8.508 582 HE1 TYR 78 1HE TYR 78 20.013 14.400 -5.339 583 HE2 TYR 78 2HE TYR 78 19.802 18.595 -6.088 584 HH TYR 78 HH TYR 78 19.900 15.930 -3.738 585 H THR 79 H THR 79 19.402 13.779 -11.759 586 HA THR 79 HA THR 79 20.602 14.763 -14.244 587 HB THR 79 HB THR 79 20.261 12.490 -15.277 588 HG1 THR 79 1HG THR 79 19.646 11.928 -12.601 589 HG21 THR 79 3HG2 THR 79 22.271 12.556 -13.025 590 HG22 THR 79 1HG2 THR 79 22.484 13.368 -14.576 591 HG23 THR 79 2HG2 THR 79 22.370 11.609 -14.510 592 H LEU 80 H LEU 80 19.125 14.074 -16.158 593 HA LEU 80 HA LEU 80 16.625 15.274 -15.800 594 HB2 LEU 80 1HB LEU 80 17.334 13.335 -17.989 595 HB3 LEU 80 2HB LEU 80 16.137 14.627 -18.044 596 HG LEU 80 HG LEU 80 19.103 15.104 -17.796 597 HD11 LEU 80 1HD1 LEU 80 18.945 14.131 -19.896 598 HD12 LEU 80 2HD1 LEU 80 18.765 15.851 -20.240 599 HD13 LEU 80 3HD1 LEU 80 17.345 14.806 -20.200 600 HD21 LEU 80 3HD2 LEU 80 18.094 17.328 -18.878 601 HD22 LEU 80 1HD2 LEU 80 18.222 17.085 -17.136 602 HD23 LEU 80 2HD2 LEU 80 16.685 16.804 -17.954 603 H THR 81 H THR 81 17.341 11.833 -16.417 604 HA THR 81 HA THR 81 14.893 10.707 -16.261 605 HB THR 81 HB THR 81 17.261 9.560 -14.776 606 HG1 THR 81 1HG THR 81 17.582 8.526 -16.927 607 HG21 THR 81 3HG2 THR 81 14.901 8.272 -16.152 608 HG22 THR 81 1HG2 THR 81 15.184 8.348 -14.413 609 HG23 THR 81 2HG2 THR 81 16.262 7.404 -15.442 610 H GLN 82 H GLN 82 16.944 11.205 -13.380 611 HA GLN 82 HA GLN 82 14.859 10.582 -11.555 612 HB2 GLN 82 1HB GLN 82 17.433 12.093 -11.074 613 HB3 GLN 82 2HB GLN 82 16.398 11.404 -9.830 614 HG2 GLN 82 1HG GLN 82 16.804 9.160 -10.867 615 HG3 GLN 82 2HG GLN 82 18.010 9.932 -11.895 616 HE21 GLN 82 1HE2 GLN 82 18.899 7.947 -10.410 617 HE22 GLN 82 2HE2 GLN 82 19.822 8.511 -9.063 618 H MET 83 H MET 83 16.507 13.693 -12.154 619 HA MET 83 HA MET 83 15.066 15.421 -10.707 620 HB2 MET 83 1HB MET 83 16.805 16.248 -12.119 621 HB3 MET 83 2HB MET 83 15.955 15.742 -13.572 622 HG2 MET 83 1HG MET 83 15.755 18.102 -13.382 623 HG3 MET 83 2HG MET 83 14.180 17.391 -13.039 624 HE1 MET 83 3HE MET 83 17.180 17.483 -10.246 625 HE2 MET 83 1HE MET 83 17.465 18.594 -11.586 626 HE3 MET 83 2HE MET 83 17.071 19.224 -9.986 627 H SER 84 H SER 84 14.077 14.562 -14.030 628 HA SER 84 HA SER 84 11.605 15.818 -14.005 629 HB2 SER 84 1HB SER 84 10.992 14.308 -15.850 630 HB3 SER 84 2HB SER 84 12.636 14.916 -16.046 631 HG SER 84 HG SER 84 11.958 12.399 -14.919 632 H ASN 85 H ASN 85 12.457 12.532 -12.999 633 HA ASN 85 HA ASN 85 9.871 11.597 -12.482 634 HB2 ASN 85 1HB ASN 85 12.564 10.861 -11.345 635 HB3 ASN 85 2HB ASN 85 11.088 10.044 -10.838 636 HD21 ASN 85 1HD2 ASN 85 12.317 8.190 -11.711 637 HD22 ASN 85 2HD2 ASN 85 12.153 7.832 -13.394 638 H PHE 86 H PHE 86 12.182 13.275 -10.382 639 HA PHE 86 HA PHE 86 10.645 13.160 -8.027 640 HB2 PHE 86 1HB PHE 86 12.744 15.150 -8.908 641 HB3 PHE 86 2HB PHE 86 12.073 15.077 -7.282 642 HD1 PHE 86 1HD PHE 86 11.965 12.251 -6.705 643 HD2 PHE 86 2HD PHE 86 14.940 14.473 -8.785 644 HE1 PHE 86 1HE PHE 86 13.650 10.569 -6.084 645 HE2 PHE 86 2HE PHE 86 16.630 12.795 -8.168 646 HZ PHE 86 HZ PHE 86 15.986 10.839 -6.817 647 H LEU 87 H LEU 87 11.113 15.907 -10.257 648 HA LEU 87 HA LEU 87 9.268 17.638 -9.145 649 HB2 LEU 87 1HB LEU 87 10.016 17.284 -12.043 650 HB3 LEU 87 2HB LEU 87 9.122 18.661 -11.403 651 HG LEU 87 HG LEU 87 11.932 17.923 -10.590 652 HD11 LEU 87 1HD1 LEU 87 11.681 18.609 -12.988 653 HD12 LEU 87 2HD1 LEU 87 12.712 19.657 -12.014 654 HD13 LEU 87 3HD1 LEU 87 11.069 20.159 -12.410 655 HD21 LEU 87 3HD2 LEU 87 10.105 19.451 -9.250 656 HD22 LEU 87 1HD2 LEU 87 10.960 20.654 -10.216 657 HD23 LEU 87 2HD2 LEU 87 11.857 19.606 -9.117 658 H LYS 88 H LYS 88 8.744 14.854 -11.170 659 HA LYS 88 HA LYS 88 6.137 15.390 -12.051 660 HB2 LYS 88 1HB LYS 88 7.847 13.444 -12.603 661 HB3 LYS 88 2HB LYS 88 6.935 12.596 -11.360 662 HG2 LYS 88 1HG LYS 88 5.051 12.466 -12.631 663 HG3 LYS 88 2HG LYS 88 5.411 13.950 -13.517 664 HD2 LYS 88 1HD LYS 88 5.839 12.423 -15.158 665 HD3 LYS 88 2HD LYS 88 7.435 12.488 -14.406 666 HE2 LYS 88 1HE LYS 88 7.072 10.472 -13.235 667 HE3 LYS 88 2HE LYS 88 5.341 10.500 -13.568 668 HZ1 LYS 88 3HZ LYS 88 5.770 10.058 -15.869 669 HZ2 LYS 88 1HZ LYS 88 6.578 8.895 -14.944 670 HZ3 LYS 88 2HZ LYS 88 7.442 10.171 -15.640 671 H SER 89 H SER 89 4.830 16.230 -10.460 672 HA SER 89 HA SER 89 4.492 14.839 -7.946 673 HB2 SER 89 1HB SER 89 2.904 16.643 -7.414 674 HB3 SER 89 2HB SER 89 4.434 17.296 -8.000 675 HG SER 89 HG SER 89 2.451 16.806 -9.891 676 H LYS 90 H LYS 90 3.823 13.325 -10.271 677 HA LYS 90 HA LYS 90 2.198 11.969 -11.111 678 HB2 LYS 90 1HB LYS 90 1.157 12.490 -8.331 679 HB3 LYS 90 2HB LYS 90 0.347 11.393 -9.443 680 HG2 LYS 90 1HG LYS 90 2.572 10.182 -9.628 681 HG3 LYS 90 2HG LYS 90 3.080 11.135 -8.232 682 HD2 LYS 90 1HD LYS 90 0.496 9.651 -8.106 683 HD3 LYS 90 2HD LYS 90 2.006 8.754 -7.926 684 HE2 LYS 90 1HE LYS 90 2.662 10.234 -6.091 685 HE3 LYS 90 2HE LYS 90 1.158 11.135 -6.276 686 HZ1 LYS 90 3HZ LYS 90 1.582 8.432 -5.206 687 HZ2 LYS 90 1HZ LYS 90 0.098 8.807 -5.927 688 HZ3 LYS 90 2HZ LYS 90 0.637 9.693 -4.591 689 H THR 91 H THR 91 1.998 14.620 -11.933 690 HA THR 91 HA THR 91 -0.897 14.822 -12.365 691 HB THR 91 HB THR 91 0.893 17.161 -11.678 692 HG1 THR 91 1HG THR 91 -0.908 17.243 -9.980 693 HG21 THR 91 3HG2 THR 91 -1.904 16.978 -12.728 694 HG22 THR 91 1HG2 THR 91 -0.602 18.068 -13.203 695 HG23 THR 91 2HG2 THR 91 -1.442 18.312 -11.671 696 H ALA 92 H ALA 92 -1.516 15.708 -14.351 697 HA ALA 92 HA ALA 92 -0.276 15.063 -16.617 698 HB1 ALA 92 1HB ALA 92 -1.561 17.769 -16.475 699 HB2 ALA 92 2HB ALA 92 -1.607 16.585 -17.783 700 HB3 ALA 92 3HB ALA 92 -2.505 16.290 -16.294 701 H GLY 93 H GLY 93 0.306 18.141 -14.924 702 HA2 GLY 93 1HA GLY 93 3.049 18.215 -15.508 703 HA3 GLY 93 2HA GLY 93 2.207 19.154 -16.732 704 H LYS 94 H LYS 94 2.893 18.880 -13.296 705 HA LYS 94 HA LYS 94 1.747 21.500 -12.761 706 HB2 LYS 94 1HB LYS 94 1.440 19.676 -11.132 707 HB3 LYS 94 2HB LYS 94 3.183 19.576 -10.920 708 HG2 LYS 94 1HG LYS 94 3.273 21.696 -9.880 709 HG3 LYS 94 2HG LYS 94 1.617 22.078 -10.358 710 HD2 LYS 94 1HD LYS 94 0.755 20.374 -8.878 711 HD3 LYS 94 2HD LYS 94 2.392 19.850 -8.475 712 HE2 LYS 94 1HE LYS 94 2.673 22.362 -7.761 713 HE3 LYS 94 2HE LYS 94 0.915 22.303 -7.638 714 HZ1 LYS 94 3HZ LYS 94 2.936 20.897 -6.046 715 HZ2 LYS 94 1HZ LYS 94 1.438 20.148 -6.286 716 HZ3 LYS 94 2HZ LYS 94 1.515 21.667 -5.546 717 H TYR 95 H TYR 95 4.923 19.940 -12.300 718 HA TYR 95 HA TYR 95 6.168 22.588 -12.232 719 HB2 TYR 95 1HB TYR 95 7.220 19.844 -11.530 720 HB3 TYR 95 2HB TYR 95 8.210 21.299 -11.521 721 HD1 TYR 95 1HD TYR 95 7.890 23.014 -9.818 722 HD2 TYR 95 2HD TYR 95 5.554 19.458 -9.814 723 HE1 TYR 95 1HE TYR 95 7.183 23.488 -7.510 724 HE2 TYR 95 2HE TYR 95 4.840 19.922 -7.507 725 HH TYR 95 HH TYR 95 4.752 21.529 -5.895 726 H ASP 96 H ASP 96 5.199 21.837 -14.718 727 HA ASP 96 HA ASP 96 7.206 20.615 -16.333 728 HB2 ASP 96 1HB ASP 96 4.645 22.065 -16.844 729 HB3 ASP 96 2HB ASP 96 5.772 21.852 -18.181 730 H ARG 97 H ARG 97 6.263 23.965 -15.676 731 HA ARG 97 HA ARG 97 7.930 25.247 -17.500 732 HB2 ARG 97 1HB ARG 97 6.754 26.039 -14.860 733 HB3 ARG 97 2HB ARG 97 7.903 27.106 -15.656 734 HG2 ARG 97 1HG ARG 97 5.958 27.944 -16.481 735 HG3 ARG 97 2HG ARG 97 6.301 26.731 -17.715 736 HD2 ARG 97 1HD ARG 97 4.877 25.139 -16.367 737 HD3 ARG 97 2HD ARG 97 4.385 26.531 -15.403 738 HE ARG 97 HE ARG 97 4.005 26.955 -18.203 739 HH11 ARG 97 2HH1 ARG 97 2.630 25.484 -15.364 740 HH12 ARG 97 1HH1 ARG 97 1.004 25.552 -15.957 741 HH21 ARG 97 2HH2 ARG 97 1.868 27.050 -18.995 742 HH22 ARG 97 1HH2 ARG 97 0.572 26.442 -18.023 743 H VAL 98 H VAL 98 8.588 24.201 -14.177 744 HA VAL 98 HA VAL 98 11.182 25.270 -13.980 745 HB VAL 98 HB VAL 98 10.045 22.840 -12.590 746 HG11 VAL 98 1HG1 VAL 98 12.620 24.266 -12.388 747 HG12 VAL 98 2HG1 VAL 98 11.837 23.852 -10.862 748 HG13 VAL 98 3HG1 VAL 98 12.219 22.587 -12.030 749 HG21 VAL 98 3HG2 VAL 98 9.530 25.669 -12.312 750 HG22 VAL 98 1HG2 VAL 98 8.726 24.298 -11.547 751 HG23 VAL 98 2HG2 VAL 98 10.177 24.987 -10.820 752 H TYR 99 H TYR 99 10.236 21.869 -14.518 753 HA TYR 99 HA TYR 99 12.696 20.789 -15.030 754 HB2 TYR 99 1HB TYR 99 10.633 19.464 -14.898 755 HB3 TYR 99 2HB TYR 99 10.109 20.113 -16.448 756 HD1 TYR 99 1HD TYR 99 13.220 18.519 -15.103 757 HD2 TYR 99 2HD TYR 99 10.299 18.632 -18.194 758 HE1 TYR 99 1HE TYR 99 14.379 16.682 -16.256 759 HE2 TYR 99 2HE TYR 99 11.449 16.794 -19.356 760 HH TYR 99 HH TYR 99 13.462 15.661 -19.467 761 H ASN 100 H ASN 100 10.484 22.089 -17.509 762 HA ASN 100 HA ASN 100 11.821 21.795 -19.798 763 HB2 ASN 100 1HB ASN 100 10.348 24.185 -18.740 764 HB3 ASN 100 2HB ASN 100 11.113 24.258 -20.325 765 HD21 ASN 100 1HD2 ASN 100 8.914 24.578 -21.070 766 HD22 ASN 100 2HD2 ASN 100 7.913 23.199 -21.352 767 H GLY 101 H GLY 101 12.582 24.353 -17.440 768 HA2 GLY 101 1HA GLY 101 14.716 25.506 -18.843 769 HA3 GLY 101 2HA GLY 101 14.492 25.578 -17.102 770 H TYR 102 H TYR 102 14.849 23.111 -16.204 771 HA TYR 102 HA TYR 102 17.582 22.744 -16.127 772 HB2 TYR 102 1HB TYR 102 15.701 21.736 -14.646 773 HB3 TYR 102 2HB TYR 102 15.714 20.413 -15.806 774 HD1 TYR 102 1HD TYR 102 18.338 22.436 -14.061 775 HD2 TYR 102 2HD TYR 102 16.854 18.570 -15.040 776 HE1 TYR 102 1HE TYR 102 20.228 21.414 -12.865 777 HE2 TYR 102 2HE TYR 102 18.740 17.538 -13.845 778 HH TYR 102 HH TYR 102 20.795 17.948 -12.944 779 H VAL 103 H VAL 103 15.250 20.743 -17.942 780 HA VAL 103 HA VAL 103 16.805 18.981 -19.227 781 HB VAL 103 HB VAL 103 14.662 20.640 -20.564 782 HG11 VAL 103 1HG1 VAL 103 14.449 18.664 -22.071 783 HG12 VAL 103 2HG1 VAL 103 15.959 19.556 -22.259 784 HG13 VAL 103 3HG1 VAL 103 15.938 18.032 -21.371 785 HG21 VAL 103 3HG2 VAL 103 13.198 18.740 -20.013 786 HG22 VAL 103 1HG2 VAL 103 14.530 17.985 -19.138 787 HG23 VAL 103 2HG2 VAL 103 13.856 19.513 -18.571 788 H ILE 104 H ILE 104 16.236 22.259 -20.521 789 HA ILE 104 HA ILE 104 18.097 22.076 -22.612 790 HB ILE 104 HB ILE 104 17.161 24.554 -21.161 791 HG12 ILE 104 1HG1 ILE 104 16.135 23.499 -23.789 792 HG13 ILE 104 2HG1 ILE 104 15.435 22.986 -22.257 793 HG21 ILE 104 1HG2 ILE 104 17.905 25.814 -23.030 794 HG22 ILE 104 2HG2 ILE 104 19.247 24.778 -22.547 795 HG23 ILE 104 3HG2 ILE 104 18.270 24.355 -23.952 796 HD11 ILE 104 3HD1 ILE 104 15.436 25.709 -23.499 797 HD12 ILE 104 1HD1 ILE 104 14.067 24.723 -22.986 798 HD13 ILE 104 2HD1 ILE 104 15.115 25.471 -21.781 799 H HIS 105 H HIS 105 18.438 23.080 -19.258 800 HA HIS 105 HA HIS 105 21.022 24.183 -19.442 801 HB2 HIS 105 1HB HIS 105 19.615 24.580 -17.500 802 HB3 HIS 105 2HB HIS 105 19.630 22.864 -17.102 803 HD1 HIS 105 1HD HIS 105 22.154 25.688 -17.481 804 HD2 HIS 105 2HD HIS 105 21.528 22.214 -15.291 805 HE1 HIS 105 1HE HIS 105 24.046 25.586 -15.828 806 HE2 HIS 105 2HE HIS 105 23.694 23.432 -14.571 807 H LEU 106 H LEU 106 19.885 20.888 -18.933 808 HA LEU 106 HA LEU 106 22.543 19.855 -18.497 809 HB2 LEU 106 1HB LEU 106 19.796 18.725 -18.624 810 HB3 LEU 106 2HB LEU 106 21.155 17.636 -18.897 811 HG LEU 106 HG LEU 106 20.268 17.681 -16.554 812 HD11 LEU 106 1HD1 LEU 106 23.131 18.354 -17.156 813 HD12 LEU 106 2HD1 LEU 106 22.414 16.776 -16.836 814 HD13 LEU 106 3HD1 LEU 106 22.580 17.949 -15.530 815 HD21 LEU 106 3HD2 LEU 106 19.726 19.924 -16.161 816 HD22 LEU 106 1HD2 LEU 106 21.293 20.496 -16.731 817 HD23 LEU 106 2HD2 LEU 106 21.173 19.645 -15.191 818 H ASP 107 H ASP 107 20.228 20.020 -21.140 819 HA ASP 107 HA ASP 107 21.234 18.261 -22.965 820 HB2 ASP 107 1HB ASP 107 19.939 20.936 -23.216 821 HB3 ASP 107 2HB ASP 107 20.644 20.219 -24.662 822 H TYR 108 H TYR 108 22.647 21.276 -21.925 823 HA TYR 108 HA TYR 108 24.455 21.781 -23.958 824 HB2 TYR 108 1HB TYR 108 25.492 23.234 -22.503 825 HB3 TYR 108 2HB TYR 108 23.939 23.039 -21.698 826 HD1 TYR 108 1HD TYR 108 23.988 20.765 -20.124 827 HD2 TYR 108 2HD TYR 108 27.285 23.284 -21.066 828 HE1 TYR 108 1HE TYR 108 25.136 20.016 -18.082 829 HE2 TYR 108 2HE TYR 108 28.442 22.541 -19.027 830 HH TYR 108 HH TYR 108 27.327 19.884 -17.145 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -94.801 32.948 16.991 2 HA2 GLY 1 1HA GLY 1 -92.300 32.294 15.930 3 HA3 GLY 1 2HA GLY 1 -92.573 32.947 17.538 4 H SER 2 H SER 2 -92.870 29.877 15.754 5 HA SER 2 HA SER 2 -92.371 28.395 18.210 6 HB2 SER 2 1HB SER 2 -92.878 27.356 15.411 7 HB3 SER 2 2HB SER 2 -92.887 26.407 16.897 8 HG SER 2 HG SER 2 -94.578 28.630 16.707 9 H SER 3 H SER 3 -90.894 28.867 15.022 10 HA SER 3 HA SER 3 -88.718 27.142 15.338 11 HB2 SER 3 1HB SER 3 -89.146 27.968 13.155 12 HB3 SER 3 2HB SER 3 -89.088 29.646 13.695 13 HG SER 3 HG SER 3 -86.917 29.542 13.832 14 H GLY 4 H GLY 4 -86.630 27.412 16.082 15 HA2 GLY 4 1HA GLY 4 -85.198 29.570 16.785 16 HA3 GLY 4 2HA GLY 4 -86.318 29.441 18.134 17 H SER 5 H SER 5 -83.301 28.996 17.687 18 HA SER 5 HA SER 5 -83.126 26.736 19.486 19 HB2 SER 5 1HB SER 5 -83.087 25.628 17.294 20 HB3 SER 5 2HB SER 5 -81.751 26.663 16.788 21 HG SER 5 HG SER 5 -81.490 24.373 17.884 22 H SER 6 H SER 6 -81.961 27.627 21.056 23 HA SER 6 HA SER 6 -79.602 29.231 20.316 24 HB2 SER 6 1HB SER 6 -81.502 30.344 21.625 25 HB3 SER 6 2HB SER 6 -81.002 29.341 22.986 26 HG SER 6 HG SER 6 -80.033 31.630 22.448 27 H GLY 7 H GLY 7 -77.994 27.733 20.280 28 HA2 GLY 7 1HA GLY 7 -77.472 26.343 22.829 29 HA3 GLY 7 2HA GLY 7 -77.328 25.494 21.297 30 H ASN 8 H ASN 8 -75.171 25.426 22.841 31 HA ASN 8 HA ASN 8 -73.218 26.826 21.268 32 HB2 ASN 8 1HB ASN 8 -73.151 27.389 24.227 33 HB3 ASN 8 2HB ASN 8 -72.230 28.169 22.944 34 HD21 ASN 8 1HD2 ASN 8 -72.974 30.010 22.150 35 HD22 ASN 8 2HD2 ASN 8 -74.556 30.652 22.412 36 H VAL 9 H VAL 9 -71.069 26.062 21.620 37 HA VAL 9 HA VAL 9 -70.848 23.698 23.354 38 HB VAL 9 HB VAL 9 -69.896 23.843 20.490 39 HG11 VAL 9 1HG1 VAL 9 -68.302 22.476 21.334 40 HG12 VAL 9 2HG1 VAL 9 -69.275 22.025 22.736 41 HG13 VAL 9 3HG1 VAL 9 -69.580 21.272 21.170 42 HG21 VAL 9 3HG2 VAL 9 -71.538 21.626 20.835 43 HG22 VAL 9 1HG2 VAL 9 -72.357 22.927 21.700 44 HG23 VAL 9 2HG2 VAL 9 -71.946 23.123 19.996 45 H ASP 10 H ASP 10 -68.840 23.335 24.252 46 HA ASP 10 HA ASP 10 -67.153 25.591 24.564 47 HB2 ASP 10 1HB ASP 10 -65.986 24.329 26.130 48 HB3 ASP 10 2HB ASP 10 -67.580 23.580 26.167 49 H SER 11 H SER 11 -64.642 25.140 24.387 50 HA SER 11 HA SER 11 -64.041 23.914 21.789 51 HB2 SER 11 1HB SER 11 -62.594 25.885 21.239 52 HB3 SER 11 2HB SER 11 -64.316 26.260 21.283 53 HG SER 11 HG SER 11 -62.840 26.582 23.632 54 H ASN 12 H ASN 12 -61.532 24.014 21.456 55 HA ASN 12 HA ASN 12 -60.254 23.297 24.014 56 HB2 ASN 12 1HB ASN 12 -60.217 21.925 21.353 57 HB3 ASN 12 2HB ASN 12 -58.806 21.801 22.400 58 HD21 ASN 12 1HD2 ASN 12 -58.799 20.019 23.541 59 HD22 ASN 12 2HD2 ASN 12 -60.180 19.220 24.202 60 H GLN 13 H GLN 13 -57.717 23.139 23.534 61 HA GLN 13 HA GLN 13 -56.631 25.019 21.708 62 HB2 GLN 13 1HB GLN 13 -55.838 26.679 23.370 63 HB3 GLN 13 2HB GLN 13 -57.588 26.669 23.193 64 HG2 GLN 13 1HG GLN 13 -57.805 25.372 25.236 65 HG3 GLN 13 2HG GLN 13 -56.051 25.330 25.408 66 HE21 GLN 13 1HE2 GLN 13 -58.906 27.312 25.583 67 HE22 GLN 13 2HE2 GLN 13 -58.187 28.623 26.449 68 H ASN 14 H ASN 14 -54.344 25.077 21.750 69 HA ASN 14 HA ASN 14 -52.771 23.860 23.749 70 HB2 ASN 14 1HB ASN 14 -53.602 21.744 23.126 71 HB3 ASN 14 2HB ASN 14 -53.571 22.141 21.411 72 HD21 ASN 14 1HD2 ASN 14 -52.098 21.012 20.392 73 HD22 ASN 14 2HD2 ASN 14 -50.525 20.610 20.984 74 H LYS 15 H LYS 15 -50.491 23.601 23.062 75 HA LYS 15 HA LYS 15 -49.773 24.942 20.576 76 HB2 LYS 15 1HB LYS 15 -48.966 25.940 23.310 77 HB3 LYS 15 2HB LYS 15 -48.172 26.433 21.820 78 HG2 LYS 15 1HG LYS 15 -50.291 27.351 21.003 79 HG3 LYS 15 2HG LYS 15 -51.070 26.875 22.513 80 HD2 LYS 15 1HD LYS 15 -48.623 28.573 22.629 81 HD3 LYS 15 2HD LYS 15 -50.155 29.318 22.168 82 HE2 LYS 15 1HE LYS 15 -49.787 27.655 24.653 83 HE3 LYS 15 2HE LYS 15 -49.607 29.409 24.620 84 HZ1 LYS 15 3HZ LYS 15 -51.980 29.175 23.485 85 HZ2 LYS 15 1HZ LYS 15 -51.781 29.305 25.159 86 HZ3 LYS 15 2HZ LYS 15 -52.019 27.788 24.452 87 H ALA 16 H ALA 16 -47.229 25.065 20.504 88 HA ALA 16 HA ALA 16 -46.224 22.452 21.428 89 HB1 ALA 16 1HB ALA 16 -45.174 22.093 19.434 90 HB2 ALA 16 2HB ALA 16 -46.551 23.044 18.876 91 HB3 ALA 16 3HB ALA 16 -44.980 23.814 19.098 92 H SER 17 H SER 17 -44.806 25.489 20.203 93 HA SER 17 HA SER 17 -43.168 26.841 21.024 94 HB2 SER 17 1HB SER 17 -44.623 26.420 23.190 95 HB3 SER 17 2HB SER 17 -43.210 25.493 23.694 96 HG SER 17 HG SER 17 -42.105 27.593 22.899 97 H MET 18 H MET 18 -42.427 24.568 19.637 98 HA MET 18 HA MET 18 -40.571 22.886 20.837 99 HB2 MET 18 1HB MET 18 -41.566 22.945 18.407 100 HB3 MET 18 2HB MET 18 -40.117 23.874 18.048 101 HG2 MET 18 1HG MET 18 -38.719 22.056 18.803 102 HG3 MET 18 2HG MET 18 -40.140 21.132 19.284 103 HE1 MET 18 3HE MET 18 -37.872 22.454 16.780 104 HE2 MET 18 1HE MET 18 -38.120 21.486 15.327 105 HE3 MET 18 2HE MET 18 -39.069 22.949 15.583 106 H LEU 19 H LEU 19 -38.561 23.136 21.583 107 HA LEU 19 HA LEU 19 -36.977 25.440 20.713 108 HB2 LEU 19 1HB LEU 19 -38.080 26.143 22.758 109 HB3 LEU 19 2HB LEU 19 -37.506 24.696 23.586 110 HG LEU 19 HG LEU 19 -35.167 25.541 23.233 111 HD11 LEU 19 1HD1 LEU 19 -35.207 28.139 22.948 112 HD12 LEU 19 2HD1 LEU 19 -36.712 27.818 22.087 113 HD13 LEU 19 3HD1 LEU 19 -35.207 27.085 21.534 114 HD21 LEU 19 3HD2 LEU 19 -37.178 26.408 25.087 115 HD22 LEU 19 1HD2 LEU 19 -36.000 27.694 24.824 116 HD23 LEU 19 2HD2 LEU 19 -35.462 26.102 25.360 117 H GLN 20 H GLN 20 -34.699 25.222 21.111 118 HA GLN 20 HA GLN 20 -33.782 22.547 21.865 119 HB2 GLN 20 1HB GLN 20 -32.377 22.336 19.909 120 HB3 GLN 20 2HB GLN 20 -34.045 22.572 19.402 121 HG2 GLN 20 1HG GLN 20 -33.514 24.991 19.073 122 HG3 GLN 20 2HG GLN 20 -31.823 24.596 19.375 123 HE21 GLN 20 1HE2 GLN 20 -32.243 25.734 17.067 124 HE22 GLN 20 2HE2 GLN 20 -32.205 24.609 15.757 125 H ALA 21 H ALA 21 -31.407 22.465 22.179 126 HA ALA 21 HA ALA 21 -29.856 24.827 22.353 127 HB1 ALA 21 1HB ALA 21 -29.701 24.631 24.961 128 HB2 ALA 21 2HB ALA 21 -30.976 25.589 24.206 129 HB3 ALA 21 3HB ALA 21 -31.327 23.965 24.798 130 H ARG 22 H ARG 22 -27.775 24.430 23.551 131 HA ARG 22 HA ARG 22 -26.995 21.622 23.184 132 HB2 ARG 22 1HB ARG 22 -25.877 23.703 21.995 133 HB3 ARG 22 2HB ARG 22 -24.992 23.812 23.511 134 HG2 ARG 22 1HG ARG 22 -24.098 21.610 23.222 135 HG3 ARG 22 2HG ARG 22 -25.115 21.336 21.806 136 HD2 ARG 22 1HD ARG 22 -23.089 23.554 21.950 137 HD3 ARG 22 2HD ARG 22 -22.692 21.940 21.364 138 HE ARG 22 HE ARG 22 -24.178 23.967 19.980 139 HH11 ARG 22 2HH1 ARG 22 -23.621 20.544 20.285 140 HH12 ARG 22 1HH1 ARG 22 -24.140 20.184 18.671 141 HH21 ARG 22 2HH2 ARG 22 -24.864 23.505 17.854 142 HH22 ARG 22 1HH2 ARG 22 -24.845 21.869 17.289 143 H LEU 23 H LEU 23 -25.201 20.868 24.650 144 HA LEU 23 HA LEU 23 -25.536 21.944 27.370 145 HB2 LEU 23 1HB LEU 23 -25.462 19.059 26.508 146 HB3 LEU 23 2HB LEU 23 -25.320 19.590 28.183 147 HG LEU 23 HG LEU 23 -27.622 20.741 27.704 148 HD11 LEU 23 1HD1 LEU 23 -28.229 18.459 25.975 149 HD12 LEU 23 2HD1 LEU 23 -27.219 19.693 25.223 150 HD13 LEU 23 3HD1 LEU 23 -28.790 20.129 25.895 151 HD21 LEU 23 3HD2 LEU 23 -27.098 18.859 29.284 152 HD22 LEU 23 1HD2 LEU 23 -27.513 17.745 27.982 153 HD23 LEU 23 2HD2 LEU 23 -28.732 18.849 28.619 154 H ASN 24 H ASN 24 -23.774 20.751 28.833 155 HA ASN 24 HA ASN 24 -21.209 21.158 27.448 156 HB2 ASN 24 1HB ASN 24 -22.093 21.654 30.277 157 HB3 ASN 24 2HB ASN 24 -20.386 21.434 29.902 158 HD21 ASN 24 1HD2 ASN 24 -19.450 22.876 28.298 159 HD22 ASN 24 2HD2 ASN 24 -20.050 24.492 28.175 160 H ASP 25 H ASP 25 -19.384 19.987 28.867 161 HA ASP 25 HA ASP 25 -20.266 17.220 29.344 162 HB2 ASP 25 1HB ASP 25 -18.996 17.766 27.104 163 HB3 ASP 25 2HB ASP 25 -17.576 17.758 28.147 164 H GLU 26 H GLU 26 -18.493 15.942 30.501 165 HA GLU 26 HA GLU 26 -17.157 17.667 32.481 166 HB2 GLU 26 1HB GLU 26 -19.277 16.311 33.198 167 HB3 GLU 26 2HB GLU 26 -18.173 14.943 33.207 168 HG2 GLU 26 1HG GLU 26 -16.756 16.071 34.824 169 HG3 GLU 26 2HG GLU 26 -17.819 17.477 34.792 170 H ALA 27 H ALA 27 -15.062 17.255 32.864 171 HA ALA 27 HA ALA 27 -13.876 14.923 31.519 172 HB1 ALA 27 1HB ALA 27 -11.956 16.142 31.124 173 HB2 ALA 27 2HB ALA 27 -13.208 17.375 30.969 174 HB3 ALA 27 3HB ALA 27 -12.264 17.258 32.454 175 H GLY 28 H GLY 28 -11.816 14.120 32.596 176 HA2 GLY 28 1HA GLY 28 -10.749 14.235 34.937 177 HA3 GLY 28 2HA GLY 28 -12.369 13.817 35.472 178 H GLY 29 H GLY 29 -9.374 12.620 34.528 179 HA2 GLY 29 1HA GLY 29 -10.083 9.937 35.040 180 HA3 GLY 29 2HA GLY 29 -10.005 10.187 33.302 181 H THR 30 H THR 30 -8.288 8.509 33.582 182 HA THR 30 HA THR 30 -5.795 9.380 34.754 183 HB THR 30 HB THR 30 -6.409 7.014 34.870 184 HG1 THR 30 1HG THR 30 -4.153 7.674 34.699 185 HG21 THR 30 3HG2 THR 30 -5.997 6.880 31.889 186 HG22 THR 30 1HG2 THR 30 -7.591 7.019 32.630 187 HG23 THR 30 2HG2 THR 30 -6.583 5.611 32.964 188 H ARG 31 H ARG 31 -3.758 9.258 33.465 189 HA ARG 31 HA ARG 31 -4.075 9.934 30.641 190 HB2 ARG 31 1HB ARG 31 -4.124 12.068 31.930 191 HB3 ARG 31 2HB ARG 31 -2.526 11.685 32.556 192 HG2 ARG 31 1HG ARG 31 -1.647 11.696 30.258 193 HG3 ARG 31 2HG ARG 31 -3.248 12.153 29.671 194 HD2 ARG 31 1HD ARG 31 -3.163 14.218 30.911 195 HD3 ARG 31 2HD ARG 31 -1.637 13.747 31.659 196 HE ARG 31 HE ARG 31 -1.108 13.686 28.992 197 HH11 ARG 31 2HH1 ARG 31 -2.401 16.080 31.164 198 HH12 ARG 31 1HH1 ARG 31 -1.777 17.422 30.265 199 HH21 ARG 31 2HH2 ARG 31 -0.281 15.445 27.799 200 HH22 ARG 31 1HH2 ARG 31 -0.572 17.060 28.351 201 H LEU 32 H LEU 32 -2.784 8.569 29.610 202 HA LEU 32 HA LEU 32 -0.030 8.245 30.536 203 HB2 LEU 32 1HB LEU 32 -1.799 5.920 29.797 204 HB3 LEU 32 2HB LEU 32 -0.099 5.838 30.252 205 HG LEU 32 HG LEU 32 -2.082 6.957 32.185 206 HD11 LEU 32 1HD1 LEU 32 -1.535 4.075 32.392 207 HD12 LEU 32 2HD1 LEU 32 -2.617 4.552 31.084 208 HD13 LEU 32 3HD1 LEU 32 -3.003 4.985 32.750 209 HD21 LEU 32 3HD2 LEU 32 -0.169 5.243 33.346 210 HD22 LEU 32 1HD2 LEU 32 -0.260 7.001 33.448 211 HD23 LEU 32 2HD2 LEU 32 0.684 6.240 32.167 212 H LEU 33 H LEU 33 1.418 8.243 28.917 213 HA LEU 33 HA LEU 33 0.398 8.471 26.195 214 HB2 LEU 33 1HB LEU 33 2.904 9.233 27.597 215 HB3 LEU 33 2HB LEU 33 2.990 8.918 25.865 216 HG LEU 33 HG LEU 33 1.239 10.655 25.524 217 HD11 LEU 33 1HD1 LEU 33 1.739 11.762 28.217 218 HD12 LEU 33 2HD1 LEU 33 0.648 10.380 28.117 219 HD13 LEU 33 3HD1 LEU 33 0.300 11.846 27.200 220 HD21 LEU 33 3HD2 LEU 33 3.441 11.347 25.099 221 HD22 LEU 33 1HD2 LEU 33 3.861 11.354 26.812 222 HD23 LEU 33 2HD2 LEU 33 2.777 12.586 26.165 223 H ARG 34 H ARG 34 1.501 7.364 24.425 224 HA ARG 34 HA ARG 34 2.877 4.892 25.165 225 HB2 ARG 34 1HB ARG 34 0.261 5.094 23.720 226 HB3 ARG 34 2HB ARG 34 1.369 3.785 23.331 227 HG2 ARG 34 1HG ARG 34 1.272 2.932 25.545 228 HG3 ARG 34 2HG ARG 34 0.412 4.362 26.121 229 HD2 ARG 34 1HD ARG 34 -1.346 3.662 24.315 230 HD3 ARG 34 2HD ARG 34 -0.581 2.081 24.471 231 HE ARG 34 HE ARG 34 -1.153 2.979 27.037 232 HH11 ARG 34 2HH1 ARG 34 -2.877 2.089 24.147 233 HH12 ARG 34 1HH1 ARG 34 -4.286 1.547 24.997 234 HH21 ARG 34 2HH2 ARG 34 -3.002 2.268 28.169 235 HH22 ARG 34 1HH2 ARG 34 -4.356 1.650 27.285 236 H VAL 35 H VAL 35 3.927 3.840 23.325 237 HA VAL 35 HA VAL 35 5.424 5.608 21.778 238 HB VAL 35 HB VAL 35 4.881 2.696 21.184 239 HG11 VAL 35 1HG1 VAL 35 7.501 3.562 20.474 240 HG12 VAL 35 2HG1 VAL 35 6.228 2.920 19.434 241 HG13 VAL 35 3HG1 VAL 35 6.325 4.654 19.742 242 HG21 VAL 35 3HG2 VAL 35 6.661 2.123 22.585 243 HG22 VAL 35 1HG2 VAL 35 7.261 3.780 22.654 244 HG23 VAL 35 2HG2 VAL 35 5.778 3.342 23.503 245 H HIS 36 H HIS 36 5.165 6.533 19.831 246 HA HIS 36 HA HIS 36 2.792 5.772 18.258 247 HB2 HIS 36 1HB HIS 36 2.703 8.030 19.436 248 HB3 HIS 36 2HB HIS 36 3.980 8.544 18.337 249 HD1 HIS 36 1HD HIS 36 3.311 9.164 15.976 250 HD2 HIS 36 2HD HIS 36 0.192 7.517 18.172 251 HE1 HIS 36 1HE HIS 36 1.247 9.520 14.584 252 HE2 HIS 36 2HE HIS 36 -0.639 8.591 15.970 253 H HIS 37 H HIS 37 3.019 6.697 15.924 254 HA HIS 37 HA HIS 37 5.111 5.338 14.663 255 HB2 HIS 37 1HB HIS 37 2.868 6.087 13.680 256 HB3 HIS 37 2HB HIS 37 3.632 7.653 13.422 257 HD1 HIS 37 1HD HIS 37 4.713 7.921 11.217 258 HD2 HIS 37 2HD HIS 37 4.437 3.926 12.326 259 HE1 HIS 37 1HE HIS 37 5.598 6.617 9.258 260 HE2 HIS 37 2HE HIS 37 5.342 4.200 9.918 261 H GLU 38 H GLU 38 7.140 5.868 14.124 262 HA GLU 38 HA GLU 38 8.040 8.597 14.751 263 HB2 GLU 38 1HB GLU 38 10.298 7.607 14.958 264 HB3 GLU 38 2HB GLU 38 9.146 6.908 16.087 265 HG2 GLU 38 1HG GLU 38 9.609 5.570 13.468 266 HG3 GLU 38 2HG GLU 38 10.799 5.392 14.757 267 H SER 39 H SER 39 10.025 9.264 13.429 268 HA SER 39 HA SER 39 9.312 9.628 10.784 269 HB2 SER 39 1HB SER 39 11.864 9.910 12.306 270 HB3 SER 39 2HB SER 39 11.936 9.989 10.545 271 HG SER 39 HG SER 39 10.016 11.537 10.990 272 H ASP 40 H ASP 40 10.282 8.836 8.810 273 HA ASP 40 HA ASP 40 10.506 5.966 8.822 274 HB2 ASP 40 1HB ASP 40 10.907 6.427 6.287 275 HB3 ASP 40 2HB ASP 40 9.312 6.718 6.975 276 H THR 41 H THR 41 12.386 5.214 9.625 277 HA THR 41 HA THR 41 14.877 6.371 9.593 278 HB THR 41 HB THR 41 14.363 4.345 10.881 279 HG1 THR 41 1HG THR 41 16.495 4.401 10.794 280 HG21 THR 41 3HG2 THR 41 14.753 2.169 9.396 281 HG22 THR 41 1HG2 THR 41 14.038 3.201 8.158 282 HG23 THR 41 2HG2 THR 41 13.149 2.859 9.643 283 H GLU 42 H GLU 42 13.163 4.969 6.963 284 HA GLU 42 HA GLU 42 15.584 4.806 5.321 285 HB2 GLU 42 1HB GLU 42 14.229 3.622 3.702 286 HB3 GLU 42 2HB GLU 42 14.015 2.893 5.288 287 HG2 GLU 42 1HG GLU 42 11.935 4.365 5.480 288 HG3 GLU 42 2HG GLU 42 12.106 4.607 3.743 289 H GLU 43 H GLU 43 15.989 6.154 3.647 290 HA GLU 43 HA GLU 43 13.961 8.199 3.027 291 HB2 GLU 43 1HB GLU 43 15.649 9.892 2.901 292 HB3 GLU 43 2HB GLU 43 15.825 9.076 4.449 293 HG2 GLU 43 1HG GLU 43 17.572 7.628 3.177 294 HG3 GLU 43 2HG GLU 43 17.589 8.982 2.048 295 H ARG 44 H ARG 44 14.445 5.733 1.641 296 HA ARG 44 HA ARG 44 16.074 5.686 -0.516 297 HB2 ARG 44 1HB ARG 44 14.036 4.652 -1.759 298 HB3 ARG 44 2HB ARG 44 14.680 3.840 -0.339 299 HG2 ARG 44 1HG ARG 44 12.853 4.312 0.935 300 HG3 ARG 44 2HG ARG 44 12.491 5.801 0.060 301 HD2 ARG 44 1HD ARG 44 10.797 4.484 -0.716 302 HD3 ARG 44 2HD ARG 44 12.033 4.107 -1.915 303 HE ARG 44 HE ARG 44 12.192 2.316 0.271 304 HH11 ARG 44 2HH1 ARG 44 10.274 3.052 -2.540 305 HH12 ARG 44 1HH1 ARG 44 9.715 1.425 -2.745 306 HH21 ARG 44 2HH2 ARG 44 11.463 0.170 0.011 307 HH22 ARG 44 1HH2 ARG 44 10.391 -0.213 -1.293 308 H GLY 45 H GLY 45 16.599 7.669 -1.394 309 HA2 GLY 45 1HA GLY 45 16.328 9.628 -2.590 310 HA3 GLY 45 2HA GLY 45 15.380 8.583 -3.637 311 H PHE 46 H PHE 46 14.392 9.250 -0.363 312 HA PHE 46 HA PHE 46 11.982 10.527 -1.387 313 HB2 PHE 46 1HB PHE 46 11.365 8.942 0.186 314 HB3 PHE 46 2HB PHE 46 12.766 9.258 1.206 315 HD1 PHE 46 1HD PHE 46 9.516 10.661 0.115 316 HD2 PHE 46 2HD PHE 46 12.618 10.711 3.029 317 HE1 PHE 46 1HE PHE 46 8.134 12.098 1.557 318 HE2 PHE 46 2HE PHE 46 11.241 12.147 4.476 319 HZ PHE 46 HZ PHE 46 8.995 12.841 3.741 320 H LEU 47 H LEU 47 14.274 11.162 1.275 321 HA LEU 47 HA LEU 47 13.449 13.818 1.701 322 HB2 LEU 47 1HB LEU 47 15.845 12.206 2.445 323 HB3 LEU 47 2HB LEU 47 15.877 13.951 2.694 324 HG LEU 47 HG LEU 47 13.698 12.222 3.834 325 HD11 LEU 47 1HD1 LEU 47 15.238 12.685 5.967 326 HD12 LEU 47 2HD1 LEU 47 16.493 12.557 4.735 327 HD13 LEU 47 3HD1 LEU 47 15.367 11.224 4.988 328 HD21 LEU 47 3HD2 LEU 47 14.406 15.036 3.876 329 HD22 LEU 47 1HD2 LEU 47 14.239 14.363 5.497 330 HD23 LEU 47 2HD2 LEU 47 12.905 14.240 4.349 331 H GLU 48 H GLU 48 15.992 12.427 -0.316 332 HA GLU 48 HA GLU 48 17.218 14.844 -1.076 333 HB2 GLU 48 1HB GLU 48 18.389 12.803 -1.464 334 HB3 GLU 48 2HB GLU 48 17.066 12.147 -2.417 335 HG2 GLU 48 1HG GLU 48 17.538 14.163 -3.982 336 HG3 GLU 48 2HG GLU 48 19.100 14.196 -3.165 337 H LYS 49 H LYS 49 14.471 13.072 -2.375 338 HA LYS 49 HA LYS 49 14.188 14.745 -4.688 339 HB2 LYS 49 1HB LYS 49 13.378 12.502 -4.851 340 HB3 LYS 49 2HB LYS 49 12.389 12.688 -3.408 341 HG2 LYS 49 1HG LYS 49 11.863 14.490 -5.710 342 HG3 LYS 49 2HG LYS 49 11.351 12.804 -5.825 343 HD2 LYS 49 1HD LYS 49 10.691 14.282 -3.335 344 HD3 LYS 49 2HD LYS 49 9.788 14.691 -4.796 345 HE2 LYS 49 1HE LYS 49 10.112 11.886 -3.744 346 HE3 LYS 49 2HE LYS 49 8.736 12.922 -3.370 347 HZ1 LYS 49 3HZ LYS 49 8.441 13.102 -5.860 348 HZ2 LYS 49 1HZ LYS 49 8.064 11.606 -5.167 349 HZ3 LYS 49 2HZ LYS 49 9.524 11.810 -5.996 350 H ALA 50 H ALA 50 12.568 14.487 -1.547 351 HA ALA 50 HA ALA 50 10.520 16.292 -1.864 352 HB1 ALA 50 1HB ALA 50 11.366 16.813 0.697 353 HB2 ALA 50 2HB ALA 50 10.288 15.504 0.212 354 HB3 ALA 50 3HB ALA 50 12.017 15.203 0.385 355 H ALA 51 H ALA 51 13.901 16.973 -1.043 356 HA ALA 51 HA ALA 51 13.641 19.734 -0.632 357 HB1 ALA 51 1HB ALA 51 16.145 19.668 -1.413 358 HB2 ALA 51 2HB ALA 51 15.656 18.935 0.115 359 HB3 ALA 51 3HB ALA 51 15.908 17.923 -1.306 360 H VAL 52 H VAL 52 14.570 17.939 -3.565 361 HA VAL 52 HA VAL 52 15.040 20.002 -5.302 362 HB VAL 52 HB VAL 52 13.557 17.452 -5.956 363 HG11 VAL 52 1HG1 VAL 52 15.256 19.036 -7.851 364 HG12 VAL 52 2HG1 VAL 52 14.035 17.813 -8.208 365 HG13 VAL 52 3HG1 VAL 52 13.546 19.407 -7.632 366 HG21 VAL 52 3HG2 VAL 52 15.557 16.725 -5.038 367 HG22 VAL 52 1HG2 VAL 52 15.947 16.837 -6.754 368 HG23 VAL 52 2HG2 VAL 52 16.460 18.111 -5.648 369 H LYS 53 H LYS 53 11.881 18.538 -4.573 370 HA LYS 53 HA LYS 53 10.330 20.100 -6.284 371 HB2 LYS 53 1HB LYS 53 9.812 18.524 -3.814 372 HB3 LYS 53 2HB LYS 53 8.569 19.660 -4.323 373 HG2 LYS 53 1HG LYS 53 9.728 17.597 -6.172 374 HG3 LYS 53 2HG LYS 53 8.333 17.282 -5.138 375 HD2 LYS 53 1HD LYS 53 7.435 19.501 -6.225 376 HD3 LYS 53 2HD LYS 53 8.585 19.087 -7.499 377 HE2 LYS 53 1HE LYS 53 6.452 18.165 -8.080 378 HE3 LYS 53 2HE LYS 53 7.525 16.839 -7.635 379 HZ1 LYS 53 3HZ LYS 53 5.422 18.050 -5.923 380 HZ2 LYS 53 1HZ LYS 53 6.498 16.845 -5.421 381 HZ3 LYS 53 2HZ LYS 53 5.374 16.520 -6.643 382 H LYS 54 H LYS 54 11.187 20.645 -2.879 383 HA LYS 54 HA LYS 54 9.753 22.949 -2.390 384 HB2 LYS 54 1HB LYS 54 12.319 21.846 -1.349 385 HB3 LYS 54 2HB LYS 54 11.909 23.506 -0.938 386 HG2 LYS 54 1HG LYS 54 9.820 22.769 0.055 387 HG3 LYS 54 2HG LYS 54 10.172 21.102 -0.407 388 HD2 LYS 54 1HD LYS 54 10.919 21.060 1.750 389 HD3 LYS 54 2HD LYS 54 12.399 21.586 0.945 390 HE2 LYS 54 1HE LYS 54 11.721 23.943 1.411 391 HE3 LYS 54 2HE LYS 54 10.376 23.316 2.362 392 HZ1 LYS 54 3HZ LYS 54 12.726 23.913 3.413 393 HZ2 LYS 54 1HZ LYS 54 13.020 22.293 3.022 394 HZ3 LYS 54 2HZ LYS 54 11.730 22.697 4.039 395 H MET 55 H MET 55 13.063 22.718 -3.687 396 HA MET 55 HA MET 55 13.508 25.451 -4.030 397 HB2 MET 55 1HB MET 55 14.580 23.235 -5.783 398 HB3 MET 55 2HB MET 55 15.288 24.827 -5.545 399 HG2 MET 55 1HG MET 55 15.937 24.328 -3.345 400 HG3 MET 55 2HG MET 55 14.911 22.896 -3.284 401 HE1 MET 55 3HE MET 55 18.847 23.501 -5.449 402 HE2 MET 55 1HE MET 55 17.787 24.691 -4.693 403 HE3 MET 55 2HE MET 55 18.839 23.688 -3.694 404 H ALA 56 H ALA 56 11.940 23.096 -6.133 405 HA ALA 56 HA ALA 56 11.736 24.644 -8.450 406 HB1 ALA 56 1HB ALA 56 10.189 23.079 -9.222 407 HB2 ALA 56 2HB ALA 56 11.185 22.163 -8.090 408 HB3 ALA 56 3HB ALA 56 9.589 22.732 -7.600 409 H LYS 57 H LYS 57 9.297 24.179 -5.887 410 HA LYS 57 HA LYS 57 7.293 25.792 -6.731 411 HB2 LYS 57 1HB LYS 57 8.406 25.383 -3.966 412 HB3 LYS 57 2HB LYS 57 6.996 26.397 -4.240 413 HG2 LYS 57 1HG LYS 57 5.952 24.407 -5.397 414 HG3 LYS 57 2HG LYS 57 7.287 23.452 -4.748 415 HD2 LYS 57 1HD LYS 57 5.550 25.165 -2.993 416 HD3 LYS 57 2HD LYS 57 5.120 23.502 -3.399 417 HE2 LYS 57 1HE LYS 57 6.262 23.170 -1.441 418 HE3 LYS 57 2HE LYS 57 7.576 23.015 -2.606 419 HZ1 LYS 57 3HZ LYS 57 7.075 25.099 -0.643 420 HZ2 LYS 57 1HZ LYS 57 7.651 25.625 -2.145 421 HZ3 LYS 57 2HZ LYS 57 8.541 24.504 -1.243 422 H ALA 58 H ALA 58 9.971 26.967 -4.682 423 HA ALA 58 HA ALA 58 9.405 29.642 -4.654 424 HB1 ALA 58 1HB ALA 58 12.209 29.440 -4.994 425 HB2 ALA 58 2HB ALA 58 11.296 29.632 -3.496 426 HB3 ALA 58 3HB ALA 58 11.673 28.018 -4.098 427 H ILE 59 H ILE 59 11.122 27.853 -7.187 428 HA ILE 59 HA ILE 59 11.830 30.035 -8.791 429 HB ILE 59 HB ILE 59 11.192 27.204 -9.627 430 HG12 ILE 59 1HG1 ILE 59 13.872 28.518 -9.145 431 HG13 ILE 59 2HG1 ILE 59 13.043 27.515 -7.960 432 HG21 ILE 59 1HG2 ILE 59 12.811 29.235 -11.147 433 HG22 ILE 59 2HG2 ILE 59 12.281 27.643 -11.689 434 HG23 ILE 59 3HG2 ILE 59 11.101 28.933 -11.454 435 HD11 ILE 59 3HD1 ILE 59 13.170 25.612 -9.452 436 HD12 ILE 59 1HD1 ILE 59 13.939 26.610 -10.685 437 HD13 ILE 59 2HD1 ILE 59 14.774 26.287 -9.165 438 H MET 60 H MET 60 8.967 27.926 -8.946 439 HA MET 60 HA MET 60 7.647 28.785 -11.119 440 HB2 MET 60 1HB MET 60 6.381 28.474 -8.391 441 HB3 MET 60 2HB MET 60 5.531 28.415 -9.930 442 HG2 MET 60 1HG MET 60 6.867 26.436 -10.551 443 HG3 MET 60 2HG MET 60 7.611 26.474 -8.954 444 HE1 MET 60 3HE MET 60 4.149 24.064 -10.055 445 HE2 MET 60 1HE MET 60 4.262 25.570 -10.967 446 HE3 MET 60 2HE MET 60 5.656 24.494 -10.866 447 H ALA 61 H ALA 61 7.746 30.532 -8.031 448 HA ALA 61 HA ALA 61 6.233 32.750 -9.092 449 HB1 ALA 61 1HB ALA 61 7.610 32.292 -6.456 450 HB2 ALA 61 2HB ALA 61 6.765 33.786 -6.862 451 HB3 ALA 61 3HB ALA 61 5.880 32.262 -6.798 452 H ASP 62 H ASP 62 9.589 32.175 -8.076 453 HA ASP 62 HA ASP 62 10.355 34.704 -9.366 454 HB2 ASP 62 1HB ASP 62 11.538 33.095 -7.135 455 HB3 ASP 62 2HB ASP 62 12.582 34.145 -8.089 456 HA PRO 63 HA PRO 63 11.845 31.896 -12.565 457 HB2 PRO 63 1HB PRO 63 12.232 33.852 -14.407 458 HB3 PRO 63 2HB PRO 63 10.645 33.149 -14.071 459 HG2 PRO 63 1HG PRO 63 11.830 35.713 -13.079 460 HG3 PRO 63 2HG PRO 63 10.188 35.394 -13.668 461 HD2 PRO 63 1HD PRO 63 10.786 35.546 -11.032 462 HD3 PRO 63 2HD PRO 63 9.510 34.485 -11.661 463 H ASN 64 H ASN 64 13.316 34.948 -11.546 464 HA ASN 64 HA ASN 64 15.826 34.618 -12.731 465 HB2 ASN 64 1HB ASN 64 16.588 36.102 -10.750 466 HB3 ASN 64 2HB ASN 64 15.410 36.758 -11.883 467 HD21 ASN 64 1HD2 ASN 64 13.489 37.409 -11.145 468 HD22 ASN 64 2HD2 ASN 64 12.942 37.225 -9.517 469 H LYS 65 H LYS 65 14.559 33.475 -9.644 470 HA LYS 65 HA LYS 65 16.937 32.539 -8.517 471 HB2 LYS 65 1HB LYS 65 14.196 31.302 -8.214 472 HB3 LYS 65 2HB LYS 65 15.546 31.151 -7.097 473 HG2 LYS 65 1HG LYS 65 14.558 33.878 -7.727 474 HG3 LYS 65 2HG LYS 65 13.574 32.852 -6.682 475 HD2 LYS 65 1HD LYS 65 14.893 33.830 -5.099 476 HD3 LYS 65 2HD LYS 65 15.916 32.450 -5.503 477 HE2 LYS 65 1HE LYS 65 17.459 34.122 -5.665 478 HE3 LYS 65 2HE LYS 65 16.847 34.133 -7.318 479 HZ1 LYS 65 3HZ LYS 65 15.514 35.837 -5.347 480 HZ2 LYS 65 1HZ LYS 65 15.755 36.087 -7.003 481 HZ3 LYS 65 2HZ LYS 65 17.030 36.325 -5.918 482 H ALA 66 H ALA 66 14.718 31.023 -10.801 483 HA ALA 66 HA ALA 66 15.469 28.423 -10.839 484 HB1 ALA 66 1HB ALA 66 15.433 29.415 -13.555 485 HB2 ALA 66 2HB ALA 66 14.288 28.362 -12.723 486 HB3 ALA 66 3HB ALA 66 14.132 30.113 -12.589 487 H ASP 67 H ASP 67 17.200 31.049 -12.506 488 HA ASP 67 HA ASP 67 19.188 29.715 -13.778 489 HB2 ASP 67 1HB ASP 67 19.265 32.307 -12.250 490 HB3 ASP 67 2HB ASP 67 20.684 31.706 -13.105 491 H GLU 68 H GLU 68 19.326 30.729 -10.363 492 HA GLU 68 HA GLU 68 21.793 29.481 -9.808 493 HB2 GLU 68 1HB GLU 68 19.546 30.139 -7.895 494 HB3 GLU 68 2HB GLU 68 21.213 29.797 -7.450 495 HG2 GLU 68 1HG GLU 68 20.620 32.030 -9.334 496 HG3 GLU 68 2HG GLU 68 20.368 32.251 -7.604 497 H VAL 69 H VAL 69 18.525 28.481 -8.775 498 HA VAL 69 HA VAL 69 19.028 26.068 -7.663 499 HB VAL 69 HB VAL 69 16.754 26.709 -9.544 500 HG11 VAL 69 1HG1 VAL 69 17.448 24.268 -8.093 501 HG12 VAL 69 2HG1 VAL 69 15.809 24.844 -7.785 502 HG13 VAL 69 3HG1 VAL 69 16.332 24.512 -9.436 503 HG21 VAL 69 3HG2 VAL 69 17.234 28.023 -7.321 504 HG22 VAL 69 1HG2 VAL 69 15.593 27.537 -7.746 505 HG23 VAL 69 2HG2 VAL 69 16.516 26.596 -6.575 506 H TYR 70 H TYR 70 18.332 26.478 -11.140 507 HA TYR 70 HA TYR 70 18.630 23.979 -12.090 508 HB2 TYR 70 1HB TYR 70 19.671 26.560 -13.249 509 HB3 TYR 70 2HB TYR 70 19.751 25.038 -14.130 510 HD1 TYR 70 1HD TYR 70 17.179 23.797 -13.465 511 HD2 TYR 70 2HD TYR 70 18.098 27.851 -14.374 512 HE1 TYR 70 1HE TYR 70 14.877 24.134 -14.263 513 HE2 TYR 70 2HE TYR 70 15.798 28.199 -15.174 514 HH TYR 70 HH TYR 70 13.391 26.797 -14.523 515 H LYS 71 H LYS 71 21.391 26.205 -11.694 516 HA LYS 71 HA LYS 71 23.400 24.369 -12.301 517 HB2 LYS 71 1HB LYS 71 23.301 26.930 -10.765 518 HB3 LYS 71 2HB LYS 71 24.762 25.953 -10.684 519 HG2 LYS 71 1HG LYS 71 24.975 26.050 -13.108 520 HG3 LYS 71 2HG LYS 71 23.493 27.004 -13.206 521 HD2 LYS 71 1HD LYS 71 24.744 28.594 -11.557 522 HD3 LYS 71 2HD LYS 71 26.187 27.779 -12.165 523 HE2 LYS 71 1HE LYS 71 25.837 29.744 -13.480 524 HE3 LYS 71 2HE LYS 71 25.444 28.344 -14.477 525 HZ1 LYS 71 3HZ LYS 71 23.117 29.155 -13.158 526 HZ2 LYS 71 1HZ LYS 71 23.447 29.199 -14.816 527 HZ3 LYS 71 2HZ LYS 71 23.817 30.533 -13.845 528 H LYS 72 H LYS 72 22.070 25.286 -9.133 529 HA LYS 72 HA LYS 72 23.654 23.775 -7.475 530 HB2 LYS 72 1HB LYS 72 20.700 24.369 -7.279 531 HB3 LYS 72 2HB LYS 72 21.624 23.627 -5.980 532 HG2 LYS 72 1HG LYS 72 23.165 25.730 -6.317 533 HG3 LYS 72 2HG LYS 72 21.691 26.415 -7.005 534 HD2 LYS 72 1HD LYS 72 21.607 26.994 -4.735 535 HD3 LYS 72 2HD LYS 72 20.532 25.601 -4.876 536 HE2 LYS 72 1HE LYS 72 21.843 25.232 -2.943 537 HE3 LYS 72 2HE LYS 72 22.499 24.173 -4.190 538 HZ1 LYS 72 3HZ LYS 72 24.126 25.518 -2.784 539 HZ2 LYS 72 1HZ LYS 72 23.643 26.852 -3.705 540 HZ3 LYS 72 2HZ LYS 72 24.358 25.518 -4.460 541 H TRP 73 H TRP 73 20.614 22.723 -9.009 542 HA TRP 73 HA TRP 73 20.569 20.117 -8.070 543 HB2 TRP 73 1HB TRP 73 19.528 21.384 -10.590 544 HB3 TRP 73 2HB TRP 73 19.335 19.657 -10.303 545 HD1 TRP 73 HD TRP 73 18.762 20.034 -7.088 546 HE1 TRP 73 1HE TRP 73 16.421 20.847 -6.392 547 HE3 TRP 73 3HE TRP 73 17.283 22.136 -11.508 548 HZ2 TRP 73 2HZ TRP 73 14.237 22.199 -7.561 549 HZ3 TRP 73 3HZ TRP 73 15.053 23.167 -11.636 550 HH2 TRP 73 HH TRP 73 13.563 23.197 -9.702 551 H ALA 74 H ALA 74 21.837 21.215 -11.221 552 HA ALA 74 HA ALA 74 22.862 18.841 -12.146 553 HB1 ALA 74 1HB ALA 74 22.792 20.976 -13.407 554 HB2 ALA 74 2HB ALA 74 24.189 21.527 -12.481 555 HB3 ALA 74 3HB ALA 74 24.332 20.128 -13.545 556 H ASP 75 H ASP 75 24.452 21.181 -10.002 557 HA ASP 75 HA ASP 75 26.934 19.919 -9.812 558 HB2 ASP 75 1HB ASP 75 26.121 22.229 -8.911 559 HB3 ASP 75 2HB ASP 75 25.717 21.322 -7.456 560 H LYS 76 H LYS 76 24.000 19.494 -7.869 561 HA LYS 76 HA LYS 76 25.001 17.731 -5.963 562 HB2 LYS 76 1HB LYS 76 22.230 17.788 -7.173 563 HB3 LYS 76 2HB LYS 76 22.669 16.990 -5.669 564 HG2 LYS 76 1HG LYS 76 23.194 19.909 -6.009 565 HG3 LYS 76 2HG LYS 76 21.569 19.339 -5.620 566 HD2 LYS 76 1HD LYS 76 22.837 17.972 -3.769 567 HD3 LYS 76 2HD LYS 76 24.070 19.214 -3.997 568 HE2 LYS 76 1HE LYS 76 22.701 20.902 -3.228 569 HE3 LYS 76 2HE LYS 76 21.223 20.028 -3.628 570 HZ1 LYS 76 3HZ LYS 76 21.133 19.438 -1.507 571 HZ2 LYS 76 1HZ LYS 76 22.667 20.077 -1.186 572 HZ3 LYS 76 2HZ LYS 76 22.512 18.488 -1.745 573 H GLY 77 H GLY 77 23.795 17.115 -9.224 574 HA2 GLY 77 1HA GLY 77 24.871 15.296 -10.458 575 HA3 GLY 77 2HA GLY 77 24.827 14.358 -8.972 576 H TYR 78 H TYR 78 22.344 16.285 -10.642 577 HA TYR 78 HA TYR 78 20.603 13.915 -10.562 578 HB2 TYR 78 1HB TYR 78 19.844 16.835 -10.795 579 HB3 TYR 78 2HB TYR 78 18.719 15.484 -10.698 580 HD1 TYR 78 1HD TYR 78 19.558 13.840 -8.569 581 HD2 TYR 78 2HD TYR 78 19.844 18.075 -8.857 582 HE1 TYR 78 1HE TYR 78 19.571 14.000 -6.115 583 HE2 TYR 78 2HE TYR 78 19.860 18.247 -6.404 584 HH TYR 78 HH TYR 78 18.886 16.585 -4.438 585 H THR 79 H THR 79 19.370 13.350 -12.376 586 HA THR 79 HA THR 79 20.123 14.651 -14.905 587 HB THR 79 HB THR 79 20.199 12.435 -16.005 588 HG1 THR 79 1HG THR 79 20.049 10.590 -14.816 589 HG21 THR 79 3HG2 THR 79 22.323 13.280 -15.488 590 HG22 THR 79 1HG2 THR 79 22.341 11.646 -14.825 591 HG23 THR 79 2HG2 THR 79 22.101 13.029 -13.756 592 H LEU 80 H LEU 80 18.598 14.388 -16.631 593 HA LEU 80 HA LEU 80 16.040 14.988 -16.200 594 HB2 LEU 80 1HB LEU 80 16.966 13.040 -18.306 595 HB3 LEU 80 2HB LEU 80 15.444 13.927 -18.333 596 HG LEU 80 HG LEU 80 18.156 15.242 -18.398 597 HD11 LEU 80 1HD1 LEU 80 16.588 13.961 -20.508 598 HD12 LEU 80 2HD1 LEU 80 18.287 14.432 -20.478 599 HD13 LEU 80 3HD1 LEU 80 17.048 15.627 -20.859 600 HD21 LEU 80 3HD2 LEU 80 15.333 16.183 -18.520 601 HD22 LEU 80 1HD2 LEU 80 16.557 17.041 -19.456 602 HD23 LEU 80 2HD2 LEU 80 16.728 16.894 -17.707 603 H THR 81 H THR 81 17.326 11.698 -16.112 604 HA THR 81 HA THR 81 14.914 10.314 -15.817 605 HB THR 81 HB THR 81 17.625 9.601 -14.681 606 HG1 THR 81 1HG THR 81 16.499 8.452 -16.991 607 HG21 THR 81 3HG2 THR 81 15.021 8.260 -14.609 608 HG22 THR 81 1HG2 THR 81 16.462 7.988 -13.630 609 HG23 THR 81 2HG2 THR 81 16.331 7.254 -15.228 610 H GLN 82 H GLN 82 17.190 11.371 -13.279 611 HA GLN 82 HA GLN 82 15.402 10.681 -11.162 612 HB2 GLN 82 1HB GLN 82 17.955 12.283 -11.250 613 HB3 GLN 82 2HB GLN 82 17.055 12.012 -9.764 614 HG2 GLN 82 1HG GLN 82 18.118 9.813 -11.518 615 HG3 GLN 82 2HG GLN 82 18.960 10.460 -10.112 616 HE21 GLN 82 1HE2 GLN 82 18.676 7.980 -9.794 617 HE22 GLN 82 2HE2 GLN 82 17.323 7.528 -8.820 618 H MET 83 H MET 83 16.560 13.815 -12.412 619 HA MET 83 HA MET 83 15.182 15.572 -10.887 620 HB2 MET 83 1HB MET 83 16.666 16.276 -12.688 621 HB3 MET 83 2HB MET 83 15.516 15.702 -13.889 622 HG2 MET 83 1HG MET 83 15.418 18.113 -13.668 623 HG3 MET 83 2HG MET 83 13.903 17.370 -13.162 624 HE1 MET 83 3HE MET 83 17.102 18.998 -10.285 625 HE2 MET 83 1HE MET 83 17.096 17.281 -10.686 626 HE3 MET 83 2HE MET 83 17.356 18.480 -11.952 627 H SER 84 H SER 84 13.866 14.067 -13.840 628 HA SER 84 HA SER 84 11.326 15.147 -13.766 629 HB2 SER 84 1HB SER 84 12.207 12.406 -14.696 630 HB3 SER 84 2HB SER 84 10.615 13.091 -15.018 631 HG SER 84 HG SER 84 13.134 14.027 -15.909 632 H ASN 85 H ASN 85 12.375 12.047 -12.353 633 HA ASN 85 HA ASN 85 10.000 11.247 -11.212 634 HB2 ASN 85 1HB ASN 85 12.872 10.801 -10.547 635 HB3 ASN 85 2HB ASN 85 11.668 10.311 -9.358 636 HD21 ASN 85 1HD2 ASN 85 13.457 8.637 -10.852 637 HD22 ASN 85 2HD2 ASN 85 12.478 7.560 -11.783 638 H PHE 86 H PHE 86 12.348 13.575 -9.998 639 HA PHE 86 HA PHE 86 11.073 13.916 -7.462 640 HB2 PHE 86 1HB PHE 86 12.964 15.840 -8.822 641 HB3 PHE 86 2HB PHE 86 12.640 15.696 -7.097 642 HD1 PHE 86 1HD PHE 86 12.647 12.542 -7.321 643 HD2 PHE 86 2HD PHE 86 15.358 15.629 -8.431 644 HE1 PHE 86 1HE PHE 86 14.525 10.967 -7.100 645 HE2 PHE 86 2HE PHE 86 17.241 14.060 -8.213 646 HZ PHE 86 HZ PHE 86 16.825 11.725 -7.547 647 H LEU 87 H LEU 87 10.834 15.441 -10.602 648 HA LEU 87 HA LEU 87 8.876 17.353 -9.527 649 HB2 LEU 87 1HB LEU 87 10.315 17.376 -12.176 650 HB3 LEU 87 2HB LEU 87 9.209 18.616 -11.587 651 HG LEU 87 HG LEU 87 11.834 17.930 -10.272 652 HD11 LEU 87 1HD1 LEU 87 11.194 20.231 -12.110 653 HD12 LEU 87 2HD1 LEU 87 12.154 18.818 -12.549 654 HD13 LEU 87 3HD1 LEU 87 12.729 19.921 -11.299 655 HD21 LEU 87 3HD2 LEU 87 10.076 20.355 -9.946 656 HD22 LEU 87 1HD2 LEU 87 11.508 19.927 -9.009 657 HD23 LEU 87 2HD2 LEU 87 10.039 18.960 -8.866 658 H LYS 88 H LYS 88 8.348 14.520 -10.075 659 HA LYS 88 HA LYS 88 6.839 14.332 -12.492 660 HB2 LYS 88 1HB LYS 88 7.914 12.444 -11.060 661 HB3 LYS 88 2HB LYS 88 6.427 12.532 -10.124 662 HG2 LYS 88 1HG LYS 88 6.125 10.807 -11.699 663 HG3 LYS 88 2HG LYS 88 5.182 12.179 -12.285 664 HD2 LYS 88 1HD LYS 88 6.236 11.590 -14.223 665 HD3 LYS 88 2HD LYS 88 7.434 12.711 -13.572 666 HE2 LYS 88 1HE LYS 88 8.783 10.927 -12.767 667 HE3 LYS 88 2HE LYS 88 7.514 9.742 -13.076 668 HZ1 LYS 88 3HZ LYS 88 9.519 10.113 -14.731 669 HZ2 LYS 88 1HZ LYS 88 8.479 11.295 -15.352 670 HZ3 LYS 88 2HZ LYS 88 7.977 9.682 -15.279 671 H SER 89 H SER 89 5.958 14.657 -9.062 672 HA SER 89 HA SER 89 3.962 15.149 -8.055 673 HB2 SER 89 1HB SER 89 2.831 17.190 -9.145 674 HB3 SER 89 2HB SER 89 4.494 17.382 -8.593 675 HG SER 89 HG SER 89 4.019 18.182 -10.763 676 H LYS 90 H LYS 90 3.849 13.007 -10.013 677 HA LYS 90 HA LYS 90 2.377 11.814 -11.308 678 HB2 LYS 90 1HB LYS 90 0.660 12.896 -9.076 679 HB3 LYS 90 2HB LYS 90 0.075 11.704 -10.230 680 HG2 LYS 90 1HG LYS 90 2.204 10.381 -9.505 681 HG3 LYS 90 2HG LYS 90 2.118 11.419 -8.080 682 HD2 LYS 90 1HD LYS 90 -0.251 9.854 -9.071 683 HD3 LYS 90 2HD LYS 90 0.928 9.168 -7.950 684 HE2 LYS 90 1HE LYS 90 -0.657 11.693 -7.484 685 HE3 LYS 90 2HE LYS 90 -1.042 10.113 -6.804 686 HZ1 LYS 90 3HZ LYS 90 1.289 10.199 -5.835 687 HZ2 LYS 90 1HZ LYS 90 0.131 11.217 -5.138 688 HZ3 LYS 90 2HZ LYS 90 1.276 11.848 -6.211 689 H THR 91 H THR 91 2.725 14.688 -12.039 690 HA THR 91 HA THR 91 0.218 14.991 -13.559 691 HB THR 91 HB THR 91 1.918 17.295 -12.596 692 HG1 THR 91 1HG THR 91 0.984 16.781 -10.742 693 HG21 THR 91 3HG2 THR 91 -0.555 18.284 -13.067 694 HG22 THR 91 1HG2 THR 91 -0.484 17.009 -14.283 695 HG23 THR 91 2HG2 THR 91 0.743 18.276 -14.261 696 H ALA 92 H ALA 92 0.390 15.649 -15.690 697 HA ALA 92 HA ALA 92 3.097 15.477 -16.822 698 HB1 ALA 92 1HB ALA 92 1.659 15.171 -18.994 699 HB2 ALA 92 2HB ALA 92 1.911 13.825 -17.882 700 HB3 ALA 92 3HB ALA 92 0.399 14.731 -17.841 701 H GLY 93 H GLY 93 2.340 17.906 -15.658 702 HA2 GLY 93 1HA GLY 93 3.066 19.778 -17.527 703 HA3 GLY 93 2HA GLY 93 1.313 19.711 -17.633 704 H LYS 94 H LYS 94 3.416 19.413 -14.792 705 HA LYS 94 HA LYS 94 1.978 21.694 -13.613 706 HB2 LYS 94 1HB LYS 94 1.936 19.333 -12.544 707 HB3 LYS 94 2HB LYS 94 3.581 19.696 -12.041 708 HG2 LYS 94 1HG LYS 94 2.636 21.804 -10.990 709 HG3 LYS 94 2HG LYS 94 1.043 21.090 -11.252 710 HD2 LYS 94 1HD LYS 94 2.097 19.021 -10.050 711 HD3 LYS 94 2HD LYS 94 3.247 20.210 -9.434 712 HE2 LYS 94 1HE LYS 94 1.524 20.050 -7.820 713 HE3 LYS 94 2HE LYS 94 1.257 21.565 -8.681 714 HZ1 LYS 94 3HZ LYS 94 -0.801 20.849 -9.024 715 HZ2 LYS 94 1HZ LYS 94 -0.445 19.293 -8.463 716 HZ3 LYS 94 2HZ LYS 94 -0.169 19.690 -10.083 717 H TYR 95 H TYR 95 5.191 20.144 -13.507 718 HA TYR 95 HA TYR 95 6.369 22.769 -12.931 719 HB2 TYR 95 1HB TYR 95 7.469 19.970 -12.632 720 HB3 TYR 95 2HB TYR 95 8.418 21.426 -12.360 721 HD1 TYR 95 2HD TYR 95 5.733 19.300 -11.068 722 HD2 TYR 95 1HD TYR 95 8.030 22.820 -10.408 723 HE1 TYR 95 2HE TYR 95 4.937 19.376 -8.742 724 HE2 TYR 95 1HE TYR 95 7.242 22.905 -8.080 725 HH TYR 95 HH TYR 95 4.692 20.878 -6.928 726 H ASP 96 H ASP 96 5.519 22.527 -15.505 727 HA ASP 96 HA ASP 96 7.460 21.503 -17.296 728 HB2 ASP 96 1HB ASP 96 4.965 22.196 -17.695 729 HB3 ASP 96 2HB ASP 96 5.657 23.780 -18.032 730 H ARG 97 H ARG 97 6.689 24.876 -16.420 731 HA ARG 97 HA ARG 97 8.756 26.122 -17.762 732 HB2 ARG 97 1HB ARG 97 8.395 28.010 -16.358 733 HB3 ARG 97 2HB ARG 97 6.835 27.224 -16.558 734 HG2 ARG 97 1HG ARG 97 8.510 26.517 -14.201 735 HG3 ARG 97 2HG ARG 97 7.637 28.051 -14.210 736 HD2 ARG 97 1HD ARG 97 6.444 25.305 -14.580 737 HD3 ARG 97 2HD ARG 97 6.311 26.317 -13.142 738 HE ARG 97 HE ARG 97 5.334 27.645 -15.465 739 HH11 ARG 97 2HH1 ARG 97 4.524 25.263 -13.059 740 HH12 ARG 97 1HH1 ARG 97 2.815 25.511 -13.202 741 HH21 ARG 97 2HH2 ARG 97 3.086 27.981 -15.661 742 HH22 ARG 97 1HH2 ARG 97 1.998 27.056 -14.683 743 H VAL 98 H VAL 98 8.843 24.281 -14.819 744 HA VAL 98 HA VAL 98 11.474 25.207 -14.053 745 HB VAL 98 HB VAL 98 9.773 22.962 -12.960 746 HG11 VAL 98 1HG1 VAL 98 11.324 22.821 -11.129 747 HG12 VAL 98 2HG1 VAL 98 12.210 22.608 -12.640 748 HG13 VAL 98 3HG1 VAL 98 12.282 24.148 -11.784 749 HG21 VAL 98 3HG2 VAL 98 10.193 25.045 -11.094 750 HG22 VAL 98 1HG2 VAL 98 9.691 25.790 -12.612 751 HG23 VAL 98 2HG2 VAL 98 8.682 24.554 -11.861 752 H TYR 99 H TYR 99 10.078 22.118 -15.156 753 HA TYR 99 HA TYR 99 12.481 20.703 -15.338 754 HB2 TYR 99 1HB TYR 99 10.302 19.600 -15.412 755 HB3 TYR 99 2HB TYR 99 9.946 20.366 -16.956 756 HD1 TYR 99 1HD TYR 99 12.183 17.926 -15.289 757 HD2 TYR 99 2HD TYR 99 10.681 19.407 -18.984 758 HE1 TYR 99 1HE TYR 99 13.205 16.020 -16.462 759 HE2 TYR 99 2HE TYR 99 11.698 17.505 -20.166 760 HH TYR 99 HH TYR 99 12.936 14.779 -18.541 761 H ASN 100 H ASN 100 10.632 22.213 -17.992 762 HA ASN 100 HA ASN 100 12.227 21.818 -20.119 763 HB2 ASN 100 1HB ASN 100 10.310 23.091 -20.536 764 HB3 ASN 100 2HB ASN 100 10.700 24.265 -19.282 765 HD21 ASN 100 1HD2 ASN 100 11.382 26.142 -19.989 766 HD22 ASN 100 2HD2 ASN 100 12.186 26.440 -21.489 767 H GLY 101 H GLY 101 12.677 24.564 -17.879 768 HA2 GLY 101 1HA GLY 101 14.971 25.643 -18.952 769 HA3 GLY 101 2HA GLY 101 14.587 25.671 -17.237 770 H TYR 102 H TYR 102 14.832 23.137 -16.421 771 HA TYR 102 HA TYR 102 17.567 22.773 -16.109 772 HB2 TYR 102 1HB TYR 102 15.673 21.794 -14.712 773 HB3 TYR 102 2HB TYR 102 15.554 20.533 -15.934 774 HD1 TYR 102 1HD TYR 102 18.357 22.202 -14.096 775 HD2 TYR 102 2HD TYR 102 16.520 18.552 -15.281 776 HE1 TYR 102 1HE TYR 102 20.141 20.944 -12.962 777 HE2 TYR 102 2HE TYR 102 18.297 17.284 -14.149 778 HH TYR 102 HH TYR 102 20.474 18.701 -11.982 779 H VAL 103 H VAL 103 15.338 20.947 -18.204 780 HA VAL 103 HA VAL 103 16.984 19.137 -19.363 781 HB VAL 103 HB VAL 103 14.946 20.822 -20.826 782 HG11 VAL 103 1HG1 VAL 103 16.667 18.607 -21.675 783 HG12 VAL 103 2HG1 VAL 103 14.956 18.389 -22.047 784 HG13 VAL 103 3HG1 VAL 103 15.812 19.814 -22.635 785 HG21 VAL 103 3HG2 VAL 103 13.874 19.749 -19.005 786 HG22 VAL 103 1HG2 VAL 103 13.510 18.781 -20.434 787 HG23 VAL 103 2HG2 VAL 103 14.740 18.239 -19.292 788 H ILE 104 H ILE 104 16.616 22.509 -20.446 789 HA ILE 104 HA ILE 104 18.548 22.359 -22.499 790 HB ILE 104 HB ILE 104 17.538 24.753 -20.961 791 HG12 ILE 104 1HG1 ILE 104 16.840 24.008 -23.788 792 HG13 ILE 104 2HG1 ILE 104 15.980 23.282 -22.434 793 HG21 ILE 104 1HG2 ILE 104 19.794 24.605 -22.589 794 HG22 ILE 104 2HG2 ILE 104 18.540 25.313 -23.606 795 HG23 ILE 104 3HG2 ILE 104 18.954 26.064 -22.065 796 HD11 ILE 104 3HD1 ILE 104 15.306 25.609 -23.686 797 HD12 ILE 104 1HD1 ILE 104 14.780 25.123 -22.074 798 HD13 ILE 104 2HD1 ILE 104 16.177 26.184 -22.264 799 H HIS 105 H HIS 105 18.743 23.428 -19.124 800 HA HIS 105 HA HIS 105 21.275 24.452 -19.010 801 HB2 HIS 105 1HB HIS 105 19.888 24.469 -17.053 802 HB3 HIS 105 2HB HIS 105 19.843 22.709 -17.001 803 HD1 HIS 105 1HD HIS 105 21.649 25.572 -15.687 804 HD2 HIS 105 2HD HIS 105 22.458 21.549 -16.339 805 HE1 HIS 105 1HE HIS 105 23.675 25.058 -14.289 806 HE2 HIS 105 2HE HIS 105 24.197 22.641 -14.766 807 H LEU 106 H LEU 106 20.475 21.025 -18.408 808 HA LEU 106 HA LEU 106 22.948 19.956 -18.101 809 HB2 LEU 106 1HB LEU 106 20.498 18.918 -19.461 810 HB3 LEU 106 2HB LEU 106 21.973 17.955 -19.456 811 HG LEU 106 HG LEU 106 20.272 17.399 -17.678 812 HD11 LEU 106 1HD1 LEU 106 22.996 18.235 -16.698 813 HD12 LEU 106 2HD1 LEU 106 22.649 16.743 -17.571 814 HD13 LEU 106 3HD1 LEU 106 21.939 17.019 -15.980 815 HD21 LEU 106 3HD2 LEU 106 21.277 19.936 -16.400 816 HD22 LEU 106 1HD2 LEU 106 20.075 18.812 -15.764 817 HD23 LEU 106 2HD2 LEU 106 19.706 19.784 -17.189 818 H ASP 107 H ASP 107 21.422 20.828 -21.167 819 HA ASP 107 HA ASP 107 23.056 19.768 -23.040 820 HB2 ASP 107 1HB ASP 107 21.114 21.454 -23.306 821 HB3 ASP 107 2HB ASP 107 22.363 22.691 -23.195 822 H TYR 108 H TYR 108 23.809 22.515 -20.961 823 HA TYR 108 HA TYR 108 26.021 23.619 -22.004 824 HB2 TYR 108 1HB TYR 108 26.573 24.343 -19.893 825 HB3 TYR 108 2HB TYR 108 24.918 23.816 -19.607 826 HD1 TYR 108 1HD TYR 108 24.642 21.344 -18.800 827 HD2 TYR 108 2HD TYR 108 28.268 23.553 -18.523 828 HE1 TYR 108 1HE TYR 108 25.428 19.821 -17.035 829 HE2 TYR 108 2HE TYR 108 29.064 22.035 -16.758 830 HH TYR 108 HH TYR 108 27.197 20.101 -15.017 Start of MODEL 8 1 H1 GLY 1 H GLY 1 80.457 -67.955 80.602 2 HA2 GLY 1 1HA GLY 1 80.753 -65.999 78.541 3 HA3 GLY 1 2HA GLY 1 79.634 -67.268 78.066 4 H SER 2 H SER 2 79.261 -64.360 78.671 5 HA SER 2 HA SER 2 76.817 -64.651 80.151 6 HB2 SER 2 1HB SER 2 78.794 -64.354 81.847 7 HB3 SER 2 2HB SER 2 78.723 -62.665 81.345 8 HG SER 2 HG SER 2 76.667 -62.519 82.114 9 H SER 3 H SER 3 75.738 -62.443 80.420 10 HA SER 3 HA SER 3 76.581 -60.264 78.815 11 HB2 SER 3 1HB SER 3 75.953 -61.918 77.032 12 HB3 SER 3 2HB SER 3 74.303 -61.882 77.654 13 HG SER 3 HG SER 3 75.750 -59.891 76.312 14 H GLY 4 H GLY 4 74.636 -58.714 78.434 15 HA2 GLY 4 1HA GLY 4 72.740 -58.952 80.681 16 HA3 GLY 4 2HA GLY 4 73.653 -57.471 80.433 17 H SER 5 H SER 5 71.744 -56.264 80.194 18 HA SER 5 HA SER 5 70.821 -56.029 77.522 19 HB2 SER 5 1HB SER 5 69.530 -58.060 78.598 20 HB3 SER 5 2HB SER 5 68.579 -56.784 79.359 21 HG SER 5 HG SER 5 67.799 -57.556 77.270 22 H SER 6 H SER 6 68.835 -54.471 77.479 23 HA SER 6 HA SER 6 68.584 -52.711 79.739 24 HB2 SER 6 1HB SER 6 69.556 -50.742 78.770 25 HB3 SER 6 2HB SER 6 70.766 -52.022 78.674 26 HG SER 6 HG SER 6 70.733 -51.827 76.590 27 H GLY 7 H GLY 7 67.300 -50.661 79.002 28 HA2 GLY 7 1HA GLY 7 65.255 -51.573 77.073 29 HA3 GLY 7 2HA GLY 7 64.881 -50.651 78.522 30 H ASN 8 H ASN 8 66.424 -48.553 78.576 31 HA ASN 8 HA ASN 8 66.609 -46.436 77.755 32 HB2 ASN 8 1HB ASN 8 68.364 -47.751 76.437 33 HB3 ASN 8 2HB ASN 8 67.221 -47.723 75.097 34 HD21 ASN 8 1HD2 ASN 8 69.891 -46.515 75.418 35 HD22 ASN 8 2HD2 ASN 8 69.675 -44.832 75.091 36 H VAL 9 H VAL 9 63.993 -47.353 77.810 37 HA VAL 9 HA VAL 9 62.641 -46.941 75.336 38 HB VAL 9 HB VAL 9 60.584 -46.889 76.679 39 HG11 VAL 9 1HG1 VAL 9 61.928 -49.102 78.023 40 HG12 VAL 9 2HG1 VAL 9 60.607 -49.119 76.853 41 HG13 VAL 9 3HG1 VAL 9 62.278 -49.013 76.297 42 HG21 VAL 9 3HG2 VAL 9 61.002 -47.434 79.201 43 HG22 VAL 9 1HG2 VAL 9 62.539 -46.616 78.918 44 HG23 VAL 9 2HG2 VAL 9 61.021 -45.762 78.641 45 H ASP 10 H ASP 10 61.059 -45.216 74.949 46 HA ASP 10 HA ASP 10 61.262 -42.747 76.380 47 HB2 ASP 10 1HB ASP 10 62.231 -42.567 73.545 48 HB3 ASP 10 2HB ASP 10 62.438 -41.418 74.864 49 H SER 11 H SER 11 60.153 -40.940 74.963 50 HA SER 11 HA SER 11 58.185 -41.895 73.096 51 HB2 SER 11 1HB SER 11 57.482 -41.364 75.946 52 HB3 SER 11 2HB SER 11 56.346 -40.837 74.704 53 HG SER 11 HG SER 11 56.561 -43.233 75.687 54 H ASN 12 H ASN 12 56.496 -39.993 72.760 55 HA ASN 12 HA ASN 12 57.386 -37.347 73.271 56 HB2 ASN 12 1HB ASN 12 58.098 -36.692 71.053 57 HB3 ASN 12 2HB ASN 12 59.092 -38.042 71.593 58 HD21 ASN 12 1HD2 ASN 12 59.638 -38.669 69.530 59 HD22 ASN 12 2HD2 ASN 12 58.510 -39.405 68.447 60 H GLN 13 H GLN 13 56.193 -35.782 71.651 61 HA GLN 13 HA GLN 13 53.845 -36.649 70.365 62 HB2 GLN 13 1HB GLN 13 53.217 -37.146 72.742 63 HB3 GLN 13 2HB GLN 13 53.350 -35.425 73.082 64 HG2 GLN 13 1HG GLN 13 51.084 -35.729 72.745 65 HG3 GLN 13 2HG GLN 13 51.646 -35.129 71.185 66 HE21 GLN 13 1HE2 GLN 13 50.447 -36.069 69.691 67 HE22 GLN 13 2HE2 GLN 13 50.111 -37.760 69.578 68 H ASN 14 H ASN 14 52.569 -34.893 69.541 69 HA ASN 14 HA ASN 14 53.147 -32.180 70.107 70 HB2 ASN 14 1HB ASN 14 54.652 -33.500 67.892 71 HB3 ASN 14 2HB ASN 14 54.078 -31.854 67.641 72 HD21 ASN 14 1HD2 ASN 14 54.568 -30.357 69.531 73 HD22 ASN 14 2HD2 ASN 14 56.160 -30.470 70.193 74 H LYS 15 H LYS 15 52.206 -30.723 68.324 75 HA LYS 15 HA LYS 15 50.082 -32.021 66.799 76 HB2 LYS 15 1HB LYS 15 49.541 -29.778 68.754 77 HB3 LYS 15 2HB LYS 15 48.365 -30.516 67.675 78 HG2 LYS 15 1HG LYS 15 49.825 -32.240 69.614 79 HG3 LYS 15 2HG LYS 15 48.507 -31.216 70.189 80 HD2 LYS 15 1HD LYS 15 46.958 -32.256 68.689 81 HD3 LYS 15 2HD LYS 15 48.255 -33.138 67.879 82 HE2 LYS 15 1HE LYS 15 47.079 -34.624 69.374 83 HE3 LYS 15 2HE LYS 15 48.707 -34.341 69.987 84 HZ1 LYS 15 3HZ LYS 15 46.656 -32.538 70.972 85 HZ2 LYS 15 1HZ LYS 15 47.936 -33.278 71.795 86 HZ3 LYS 15 2HZ LYS 15 46.518 -34.145 71.482 87 H ALA 16 H ALA 16 48.888 -30.333 65.442 88 HA ALA 16 HA ALA 16 50.057 -27.834 64.882 89 HB1 ALA 16 1HB ALA 16 51.552 -28.182 63.232 90 HB2 ALA 16 2HB ALA 16 51.699 -29.771 63.983 91 HB3 ALA 16 3HB ALA 16 50.665 -29.556 62.571 92 H SER 17 H SER 17 48.966 -26.699 63.233 93 HA SER 17 HA SER 17 46.283 -27.525 62.816 94 HB2 SER 17 1HB SER 17 47.870 -25.257 61.593 95 HB3 SER 17 2HB SER 17 46.132 -25.475 61.395 96 HG SER 17 HG SER 17 46.964 -24.046 63.172 97 H MET 18 H MET 18 45.856 -29.215 61.537 98 HA MET 18 HA MET 18 47.312 -30.292 59.505 99 HB2 MET 18 1HB MET 18 44.978 -30.945 60.571 100 HB3 MET 18 2HB MET 18 44.354 -30.165 59.124 101 HG2 MET 18 1HG MET 18 45.927 -31.689 57.827 102 HG3 MET 18 2HG MET 18 46.102 -32.589 59.331 103 HE1 MET 18 3HE MET 18 43.743 -34.859 57.151 104 HE2 MET 18 1HE MET 18 44.985 -33.794 56.493 105 HE3 MET 18 2HE MET 18 45.307 -34.726 57.956 106 H LEU 19 H LEU 19 44.478 -28.234 58.826 107 HA LEU 19 HA LEU 19 45.951 -26.711 56.866 108 HB2 LEU 19 1HB LEU 19 45.024 -28.976 55.875 109 HB3 LEU 19 2HB LEU 19 43.521 -28.059 55.799 110 HG LEU 19 HG LEU 19 45.971 -26.863 54.601 111 HD11 LEU 19 1HD1 LEU 19 44.992 -28.115 52.455 112 HD12 LEU 19 2HD1 LEU 19 44.638 -29.335 53.678 113 HD13 LEU 19 3HD1 LEU 19 46.295 -28.779 53.442 114 HD21 LEU 19 3HD2 LEU 19 43.673 -25.769 54.791 115 HD22 LEU 19 1HD2 LEU 19 43.156 -26.917 53.556 116 HD23 LEU 19 2HD2 LEU 19 44.443 -25.763 53.204 117 H GLN 20 H GLN 20 44.916 -24.802 56.267 118 HA GLN 20 HA GLN 20 42.945 -23.863 58.120 119 HB2 GLN 20 1HB GLN 20 43.124 -21.736 56.877 120 HB3 GLN 20 2HB GLN 20 44.694 -22.364 57.361 121 HG2 GLN 20 1HG GLN 20 44.959 -23.291 55.070 122 HG3 GLN 20 2HG GLN 20 43.461 -22.477 54.620 123 HE21 GLN 20 1HE2 GLN 20 46.411 -22.194 53.896 124 HE22 GLN 20 2HE2 GLN 20 46.701 -20.496 54.024 125 H ALA 21 H ALA 21 41.233 -22.280 56.855 126 HA ALA 21 HA ALA 21 39.756 -24.062 55.028 127 HB1 ALA 21 1HB ALA 21 37.824 -23.778 56.168 128 HB2 ALA 21 2HB ALA 21 38.931 -23.491 57.511 129 HB3 ALA 21 3HB ALA 21 38.220 -22.127 56.648 130 H ARG 22 H ARG 22 37.938 -22.713 53.887 131 HA ARG 22 HA ARG 22 38.388 -19.982 53.337 132 HB2 ARG 22 1HB ARG 22 39.212 -20.219 50.998 133 HB3 ARG 22 2HB ARG 22 40.389 -20.704 52.210 134 HG2 ARG 22 1HG ARG 22 39.607 -23.081 51.817 135 HG3 ARG 22 2HG ARG 22 38.756 -22.456 50.403 136 HD2 ARG 22 1HD ARG 22 40.754 -23.104 49.469 137 HD3 ARG 22 2HD ARG 22 41.080 -21.410 49.831 138 HE ARG 22 HE ARG 22 41.833 -23.145 51.972 139 HH11 ARG 22 2HH1 ARG 22 42.833 -21.880 48.887 140 HH12 ARG 22 1HH1 ARG 22 44.524 -22.085 49.204 141 HH21 ARG 22 2HH2 ARG 22 44.056 -23.419 52.402 142 HH22 ARG 22 1HH2 ARG 22 45.218 -22.961 51.204 143 H LEU 23 H LEU 23 36.947 -19.146 51.704 144 HA LEU 23 HA LEU 23 34.922 -21.027 50.731 145 HB2 LEU 23 1HB LEU 23 33.119 -19.551 51.451 146 HB3 LEU 23 2HB LEU 23 34.054 -20.153 52.818 147 HG LEU 23 HG LEU 23 34.607 -17.444 51.659 148 HD11 LEU 23 1HD1 LEU 23 32.825 -16.472 52.605 149 HD12 LEU 23 2HD1 LEU 23 32.867 -17.532 54.014 150 HD13 LEU 23 3HD1 LEU 23 32.108 -18.081 52.521 151 HD21 LEU 23 3HD2 LEU 23 35.202 -17.073 54.105 152 HD22 LEU 23 1HD2 LEU 23 36.262 -18.133 53.178 153 HD23 LEU 23 2HD2 LEU 23 35.077 -18.823 54.288 154 H ASN 24 H ASN 24 33.240 -19.596 49.382 155 HA ASN 24 HA ASN 24 34.362 -17.361 47.996 156 HB2 ASN 24 1HB ASN 24 33.957 -19.760 46.240 157 HB3 ASN 24 2HB ASN 24 34.886 -18.297 45.925 158 HD21 ASN 24 1HD2 ASN 24 34.816 -21.288 47.759 159 HD22 ASN 24 2HD2 ASN 24 36.525 -21.407 47.984 160 H ASP 25 H ASP 25 32.955 -16.885 45.965 161 HA ASP 25 HA ASP 25 30.281 -17.925 46.000 162 HB2 ASP 25 1HB ASP 25 30.770 -15.099 46.965 163 HB3 ASP 25 2HB ASP 25 29.191 -15.759 46.548 164 H GLU 26 H GLU 26 28.849 -16.365 44.555 165 HA GLU 26 HA GLU 26 30.104 -14.766 42.610 166 HB2 GLU 26 1HB GLU 26 30.944 -17.161 42.077 167 HB3 GLU 26 2HB GLU 26 29.317 -17.430 41.468 168 HG2 GLU 26 1HG GLU 26 29.809 -15.221 40.131 169 HG3 GLU 26 2HG GLU 26 31.484 -15.702 40.399 170 H ALA 27 H ALA 27 28.636 -13.998 40.996 171 HA ALA 27 HA ALA 27 25.964 -14.922 40.784 172 HB1 ALA 27 1HB ALA 27 24.781 -13.641 42.207 173 HB2 ALA 27 2HB ALA 27 26.298 -13.583 43.105 174 HB3 ALA 27 3HB ALA 27 25.860 -12.257 42.028 175 H GLY 28 H GLY 28 24.625 -13.496 39.423 176 HA2 GLY 28 1HA GLY 28 25.686 -11.184 38.179 177 HA3 GLY 28 2HA GLY 28 25.992 -12.591 37.172 178 H GLY 29 H GLY 29 24.580 -11.002 35.818 179 HA2 GLY 29 1HA GLY 29 22.204 -12.199 35.175 180 HA3 GLY 29 2HA GLY 29 21.767 -11.007 36.390 181 H THR 30 H THR 30 21.721 -8.860 35.864 182 HA THR 30 HA THR 30 21.287 -7.121 34.434 183 HB THR 30 HB THR 30 23.911 -7.884 33.157 184 HG1 THR 30 1HG THR 30 23.802 -6.198 35.399 185 HG21 THR 30 3HG2 THR 30 22.564 -5.234 33.690 186 HG22 THR 30 1HG2 THR 30 22.757 -6.014 32.121 187 HG23 THR 30 2HG2 THR 30 24.173 -5.432 32.997 188 H ARG 31 H ARG 31 19.752 -9.059 33.551 189 HA ARG 31 HA ARG 31 20.302 -9.866 30.859 190 HB2 ARG 31 1HB ARG 31 17.855 -10.020 32.611 191 HB3 ARG 31 2HB ARG 31 17.841 -10.556 30.936 192 HG2 ARG 31 1HG ARG 31 18.298 -12.530 31.960 193 HG3 ARG 31 2HG ARG 31 19.945 -11.939 31.730 194 HD2 ARG 31 1HD ARG 31 20.127 -11.262 33.975 195 HD3 ARG 31 2HD ARG 31 18.387 -11.373 34.234 196 HE ARG 31 HE ARG 31 19.522 -13.894 33.543 197 HH11 ARG 31 2HH1 ARG 31 19.086 -11.646 36.165 198 HH12 ARG 31 1HH1 ARG 31 19.186 -12.861 37.396 199 HH21 ARG 31 2HH2 ARG 31 19.655 -15.503 35.155 200 HH22 ARG 31 1HH2 ARG 31 19.510 -15.054 36.820 201 H LEU 32 H LEU 32 20.725 -7.810 29.876 202 HA LEU 32 HA LEU 32 19.324 -5.537 29.758 203 HB2 LEU 32 1HB LEU 32 20.513 -7.114 27.499 204 HB3 LEU 32 2HB LEU 32 19.793 -5.527 27.239 205 HG LEU 32 HG LEU 32 21.457 -4.756 29.080 206 HD11 LEU 32 1HD1 LEU 32 22.578 -7.414 28.252 207 HD12 LEU 32 2HD1 LEU 32 22.319 -6.784 29.878 208 HD13 LEU 32 3HD1 LEU 32 23.600 -6.115 28.867 209 HD21 LEU 32 3HD2 LEU 32 22.168 -5.458 26.245 210 HD22 LEU 32 1HD2 LEU 32 23.251 -4.548 27.298 211 HD23 LEU 32 2HD2 LEU 32 21.661 -3.899 26.896 212 H LEU 33 H LEU 33 17.604 -4.669 28.483 213 HA LEU 33 HA LEU 33 15.536 -6.670 27.859 214 HB2 LEU 33 1HB LEU 33 14.476 -5.434 29.422 215 HB3 LEU 33 2HB LEU 33 15.489 -4.019 29.141 216 HG LEU 33 HG LEU 33 13.486 -4.708 27.060 217 HD11 LEU 33 1HD1 LEU 33 12.038 -4.984 28.869 218 HD12 LEU 33 2HD1 LEU 33 11.833 -3.294 28.410 219 HD13 LEU 33 3HD1 LEU 33 12.821 -3.714 29.810 220 HD21 LEU 33 3HD2 LEU 33 14.863 -2.833 26.623 221 HD22 LEU 33 1HD2 LEU 33 14.630 -2.192 28.250 222 HD23 LEU 33 2HD2 LEU 33 13.291 -2.192 27.102 223 H ARG 34 H ARG 34 14.264 -6.422 25.994 224 HA ARG 34 HA ARG 34 15.463 -4.685 23.937 225 HB2 ARG 34 1HB ARG 34 14.749 -6.339 22.278 226 HB3 ARG 34 2HB ARG 34 15.816 -7.060 23.475 227 HG2 ARG 34 1HG ARG 34 13.824 -7.956 24.643 228 HG3 ARG 34 2HG ARG 34 12.821 -7.324 23.336 229 HD2 ARG 34 1HD ARG 34 13.125 -9.464 22.596 230 HD3 ARG 34 2HD ARG 34 14.515 -8.684 21.843 231 HE ARG 34 HE ARG 34 15.132 -9.718 24.430 232 HH11 ARG 34 2HH1 ARG 34 14.722 -10.586 21.083 233 HH12 ARG 34 1HH1 ARG 34 15.764 -11.966 21.178 234 HH21 ARG 34 2HH2 ARG 34 16.507 -11.533 24.567 235 HH22 ARG 34 1HH2 ARG 34 16.778 -12.505 23.161 236 H VAL 35 H VAL 35 14.113 -3.555 22.547 237 HA VAL 35 HA VAL 35 11.271 -3.485 23.332 238 HB VAL 35 HB VAL 35 12.403 -1.434 24.004 239 HG11 VAL 35 1HG1 VAL 35 12.902 -0.440 21.302 240 HG12 VAL 35 2HG1 VAL 35 13.893 -0.321 22.757 241 HG13 VAL 35 3HG1 VAL 35 13.943 -1.783 21.771 242 HG21 VAL 35 3HG2 VAL 35 10.040 -1.551 22.846 243 HG22 VAL 35 1HG2 VAL 35 10.768 -0.004 23.277 244 HG23 VAL 35 2HG2 VAL 35 10.845 -0.582 21.613 245 H HIS 36 H HIS 36 13.495 -4.008 20.827 246 HA HIS 36 HA HIS 36 13.178 -4.687 18.668 247 HB2 HIS 36 1HB HIS 36 10.232 -4.124 18.910 248 HB3 HIS 36 2HB HIS 36 11.046 -5.300 17.882 249 HD1 HIS 36 1HD HIS 36 8.745 -5.692 20.197 250 HD2 HIS 36 2HD HIS 36 12.741 -6.825 20.292 251 HE1 HIS 36 1HE HIS 36 8.876 -7.554 21.882 252 HE2 HIS 36 2HE HIS 36 11.317 -8.166 21.985 253 H HIS 37 H HIS 37 13.977 -2.121 19.185 254 HA HIS 37 HA HIS 37 12.476 -0.075 18.011 255 HB2 HIS 37 1HB HIS 37 15.370 -0.479 18.618 256 HB3 HIS 37 2HB HIS 37 14.918 0.863 17.571 257 HD1 HIS 37 1HD HIS 37 12.605 2.139 18.829 258 HD2 HIS 37 2HD HIS 37 15.647 0.476 21.119 259 HE1 HIS 37 1HE HIS 37 12.452 3.267 21.072 260 HE2 HIS 37 2HE HIS 37 14.356 2.306 22.412 261 H GLU 38 H GLU 38 12.069 0.503 15.966 262 HA GLU 38 HA GLU 38 13.752 -0.004 13.766 263 HB2 GLU 38 1HB GLU 38 12.374 -1.667 12.569 264 HB3 GLU 38 2HB GLU 38 13.086 -2.320 14.039 265 HG2 GLU 38 1HG GLU 38 11.059 -2.402 15.144 266 HG3 GLU 38 2HG GLU 38 10.317 -1.204 14.085 267 H SER 39 H SER 39 13.015 0.974 11.868 268 HA SER 39 HA SER 39 10.330 2.033 11.724 269 HB2 SER 39 1HB SER 39 12.665 3.956 11.829 270 HB3 SER 39 2HB SER 39 10.964 4.374 11.630 271 HG SER 39 HG SER 39 12.113 3.116 13.902 272 H ASP 40 H ASP 40 9.996 3.274 9.679 273 HA ASP 40 HA ASP 40 11.181 1.849 7.501 274 HB2 ASP 40 1HB ASP 40 8.777 2.790 7.697 275 HB3 ASP 40 2HB ASP 40 9.493 4.318 7.191 276 H THR 41 H THR 41 13.390 2.364 7.590 277 HA THR 41 HA THR 41 14.344 5.050 7.527 278 HB THR 41 HB THR 41 15.794 2.509 6.758 279 HG1 THR 41 1HG THR 41 15.854 3.923 9.231 280 HG21 THR 41 3HG2 THR 41 16.990 5.111 7.688 281 HG22 THR 41 1HG2 THR 41 16.765 4.724 5.983 282 HG23 THR 41 2HG2 THR 41 17.815 3.721 6.984 283 H GLU 42 H GLU 42 13.343 6.111 5.813 284 HA GLU 42 HA GLU 42 14.387 5.383 3.166 285 HB2 GLU 42 1HB GLU 42 11.533 6.039 3.877 286 HB3 GLU 42 2HB GLU 42 12.148 6.190 2.237 287 HG2 GLU 42 1HG GLU 42 12.770 3.798 2.295 288 HG3 GLU 42 2HG GLU 42 12.023 3.678 3.887 289 H GLU 43 H GLU 43 15.948 7.042 3.568 290 HA GLU 43 HA GLU 43 14.851 9.773 3.437 291 HB2 GLU 43 1HB GLU 43 17.435 8.719 4.574 292 HB3 GLU 43 2HB GLU 43 17.198 10.425 4.221 293 HG2 GLU 43 1HG GLU 43 16.728 10.183 6.501 294 HG3 GLU 43 2HG GLU 43 15.159 10.314 5.710 295 H ARG 44 H ARG 44 17.413 7.656 2.201 296 HA ARG 44 HA ARG 44 18.814 9.135 0.484 297 HB2 ARG 44 1HB ARG 44 18.607 7.166 -1.179 298 HB3 ARG 44 2HB ARG 44 19.283 6.854 0.414 299 HG2 ARG 44 1HG ARG 44 16.751 6.308 0.970 300 HG3 ARG 44 2HG ARG 44 16.710 5.980 -0.763 301 HD2 ARG 44 1HD ARG 44 17.215 3.957 0.503 302 HD3 ARG 44 2HD ARG 44 18.575 4.424 -0.518 303 HE ARG 44 HE ARG 44 19.222 5.570 1.812 304 HH11 ARG 44 2HH1 ARG 44 18.130 2.356 1.039 305 HH12 ARG 44 1HH1 ARG 44 18.985 1.610 2.348 306 HH21 ARG 44 2HH2 ARG 44 20.352 4.599 3.539 307 HH22 ARG 44 1HH2 ARG 44 20.247 2.887 3.770 308 H GLY 45 H GLY 45 15.501 8.025 -0.153 309 HA2 GLY 45 1HA GLY 45 15.425 9.670 -2.579 310 HA3 GLY 45 2HA GLY 45 14.238 8.460 -2.115 311 H PHE 46 H PHE 46 13.352 9.112 0.271 312 HA PHE 46 HA PHE 46 11.442 10.954 0.040 313 HB2 PHE 46 1HB PHE 46 11.406 9.815 2.067 314 HB3 PHE 46 2HB PHE 46 13.088 10.195 2.426 315 HD1 PHE 46 1HD PHE 46 9.763 11.822 2.040 316 HD2 PHE 46 2HD PHE 46 13.579 11.879 3.925 317 HE1 PHE 46 1HE PHE 46 9.031 13.695 3.459 318 HE2 PHE 46 2HE PHE 46 12.852 13.751 5.347 319 HZ PHE 46 HZ PHE 46 10.575 14.661 5.116 320 H LEU 47 H LEU 47 14.475 11.871 1.681 321 HA LEU 47 HA LEU 47 14.068 14.604 1.686 322 HB2 LEU 47 1HB LEU 47 16.455 12.847 1.806 323 HB3 LEU 47 2HB LEU 47 16.724 14.561 1.501 324 HG LEU 47 HG LEU 47 15.147 13.569 3.864 325 HD11 LEU 47 1HD1 LEU 47 17.363 14.159 5.073 326 HD12 LEU 47 2HD1 LEU 47 18.101 13.848 3.503 327 HD13 LEU 47 3HD1 LEU 47 17.185 12.578 4.313 328 HD21 LEU 47 3HD2 LEU 47 14.691 15.795 3.748 329 HD22 LEU 47 1HD2 LEU 47 16.192 16.174 2.902 330 HD23 LEU 47 2HD2 LEU 47 16.211 15.874 4.640 331 H GLU 48 H GLU 48 16.060 12.791 -0.658 332 HA GLU 48 HA GLU 48 16.797 14.736 -2.380 333 HB2 GLU 48 1HB GLU 48 17.164 12.199 -2.545 334 HB3 GLU 48 2HB GLU 48 15.648 12.160 -3.433 335 HG2 GLU 48 1HG GLU 48 16.524 13.210 -5.259 336 HG3 GLU 48 2HG GLU 48 17.746 14.065 -4.319 337 H LYS 49 H LYS 49 13.735 12.934 -2.714 338 HA LYS 49 HA LYS 49 12.671 14.465 -4.788 339 HB2 LYS 49 1HB LYS 49 11.818 12.248 -3.929 340 HB3 LYS 49 2HB LYS 49 11.065 13.130 -2.607 341 HG2 LYS 49 1HG LYS 49 9.552 14.201 -4.024 342 HG3 LYS 49 2HG LYS 49 10.499 13.827 -5.466 343 HD2 LYS 49 1HD LYS 49 9.830 11.587 -5.466 344 HD3 LYS 49 2HD LYS 49 9.307 11.648 -3.781 345 HE2 LYS 49 1HE LYS 49 7.322 11.641 -5.034 346 HE3 LYS 49 2HE LYS 49 7.552 13.322 -4.555 347 HZ1 LYS 49 3HZ LYS 49 7.212 13.707 -6.723 348 HZ2 LYS 49 1HZ LYS 49 7.603 12.129 -7.190 349 HZ3 LYS 49 2HZ LYS 49 8.832 13.254 -6.903 350 H ALA 50 H ALA 50 12.394 14.860 -1.281 351 HA ALA 50 HA ALA 50 10.546 16.946 -1.229 352 HB1 ALA 50 1HB ALA 50 11.180 17.306 0.997 353 HB2 ALA 50 2HB ALA 50 11.493 15.592 0.717 354 HB3 ALA 50 3HB ALA 50 12.828 16.745 0.711 355 H ALA 51 H ALA 51 14.096 17.237 -0.959 356 HA ALA 51 HA ALA 51 14.300 19.979 -1.080 357 HB1 ALA 51 1HB ALA 51 16.117 18.163 -0.754 358 HB2 ALA 51 2HB ALA 51 16.302 18.272 -2.505 359 HB3 ALA 51 3HB ALA 51 16.560 19.699 -1.500 360 H VAL 52 H VAL 52 14.705 17.788 -3.873 361 HA VAL 52 HA VAL 52 14.932 19.569 -5.905 362 HB VAL 52 HB VAL 52 13.251 17.059 -5.970 363 HG11 VAL 52 1HG1 VAL 52 14.644 18.142 -8.364 364 HG12 VAL 52 2HG1 VAL 52 13.173 17.175 -8.252 365 HG13 VAL 52 3HG1 VAL 52 13.130 18.895 -7.863 366 HG21 VAL 52 3HG2 VAL 52 15.721 16.956 -5.244 367 HG22 VAL 52 1HG2 VAL 52 15.176 15.866 -6.519 368 HG23 VAL 52 2HG2 VAL 52 16.079 17.323 -6.931 369 H LYS 53 H LYS 53 11.826 18.354 -4.646 370 HA LYS 53 HA LYS 53 10.178 19.946 -6.259 371 HB2 LYS 53 1HB LYS 53 9.836 18.421 -3.728 372 HB3 LYS 53 2HB LYS 53 8.603 19.612 -4.124 373 HG2 LYS 53 1HG LYS 53 9.455 17.564 -6.133 374 HG3 LYS 53 2HG LYS 53 8.271 17.178 -4.882 375 HD2 LYS 53 1HD LYS 53 7.152 19.409 -5.717 376 HD3 LYS 53 2HD LYS 53 8.062 19.057 -7.188 377 HE2 LYS 53 1HE LYS 53 5.981 18.042 -7.530 378 HE3 LYS 53 2HE LYS 53 7.042 16.720 -7.047 379 HZ1 LYS 53 3HZ LYS 53 6.030 17.633 -4.694 380 HZ2 LYS 53 1HZ LYS 53 5.495 16.266 -5.535 381 HZ3 LYS 53 2HZ LYS 53 4.709 17.749 -5.744 382 H LYS 54 H LYS 54 11.335 20.478 -2.937 383 HA LYS 54 HA LYS 54 10.083 22.836 -2.328 384 HB2 LYS 54 1HB LYS 54 12.744 21.690 -1.610 385 HB3 LYS 54 2HB LYS 54 12.400 23.353 -1.151 386 HG2 LYS 54 1HG LYS 54 10.300 22.492 -0.055 387 HG3 LYS 54 2HG LYS 54 10.935 20.866 -0.318 388 HD2 LYS 54 1HD LYS 54 11.658 21.333 1.830 389 HD3 LYS 54 2HD LYS 54 13.061 21.785 0.859 390 HE2 LYS 54 1HE LYS 54 12.698 24.048 1.154 391 HE3 LYS 54 2HE LYS 54 10.983 23.833 1.501 392 HZ1 LYS 54 3HZ LYS 54 12.872 22.645 3.378 393 HZ2 LYS 54 1HZ LYS 54 11.382 23.391 3.668 394 HZ3 LYS 54 2HZ LYS 54 12.757 24.332 3.380 395 H MET 55 H MET 55 13.303 22.588 -3.851 396 HA MET 55 HA MET 55 13.730 25.271 -4.336 397 HB2 MET 55 1HB MET 55 14.543 22.963 -6.113 398 HB3 MET 55 2HB MET 55 15.263 24.568 -6.116 399 HG2 MET 55 1HG MET 55 15.228 23.035 -3.571 400 HG3 MET 55 2HG MET 55 16.367 22.562 -4.829 401 HE1 MET 55 3HE MET 55 18.003 23.814 -5.832 402 HE2 MET 55 1HE MET 55 18.772 25.294 -5.255 403 HE3 MET 55 2HE MET 55 19.028 23.775 -4.396 404 H ALA 56 H ALA 56 12.087 22.906 -6.416 405 HA ALA 56 HA ALA 56 11.583 24.528 -8.610 406 HB1 ALA 56 1HB ALA 56 10.567 22.018 -7.566 407 HB2 ALA 56 2HB ALA 56 9.334 22.935 -8.433 408 HB3 ALA 56 3HB ALA 56 10.850 22.519 -9.233 409 H LYS 57 H LYS 57 9.354 23.862 -5.902 410 HA LYS 57 HA LYS 57 7.294 25.536 -6.560 411 HB2 LYS 57 1HB LYS 57 8.443 24.900 -3.842 412 HB3 LYS 57 2HB LYS 57 6.941 25.788 -4.062 413 HG2 LYS 57 1HG LYS 57 6.088 23.825 -5.371 414 HG3 LYS 57 2HG LYS 57 7.530 22.948 -4.853 415 HD2 LYS 57 1HD LYS 57 5.836 24.300 -2.802 416 HD3 LYS 57 2HD LYS 57 5.287 22.773 -3.496 417 HE2 LYS 57 1HE LYS 57 8.036 23.139 -2.329 418 HE3 LYS 57 2HE LYS 57 6.653 22.624 -1.365 419 HZ1 LYS 57 3HZ LYS 57 6.812 20.570 -2.158 420 HZ2 LYS 57 1HZ LYS 57 8.312 21.004 -2.809 421 HZ3 LYS 57 2HZ LYS 57 6.918 21.097 -3.762 422 H ALA 58 H ALA 58 10.184 26.419 -4.676 423 HA ALA 58 HA ALA 58 9.586 29.082 -4.202 424 HB1 ALA 58 1HB ALA 58 11.733 29.299 -3.479 425 HB2 ALA 58 2HB ALA 58 11.627 27.539 -3.508 426 HB3 ALA 58 3HB ALA 58 12.402 28.398 -4.839 427 H ILE 59 H ILE 59 11.168 27.620 -7.018 428 HA ILE 59 HA ILE 59 11.799 29.991 -8.371 429 HB ILE 59 HB ILE 59 11.128 27.285 -9.536 430 HG12 ILE 59 1HG1 ILE 59 13.857 28.483 -9.061 431 HG13 ILE 59 2HG1 ILE 59 13.051 27.471 -7.868 432 HG21 ILE 59 1HG2 ILE 59 12.089 27.980 -11.564 433 HG22 ILE 59 2HG2 ILE 59 11.021 29.298 -11.086 434 HG23 ILE 59 3HG2 ILE 59 12.761 29.442 -10.841 435 HD11 ILE 59 3HD1 ILE 59 13.349 25.573 -9.077 436 HD12 ILE 59 1HD1 ILE 59 13.307 26.417 -10.625 437 HD13 ILE 59 2HD1 ILE 59 14.756 26.487 -9.621 438 H MET 60 H MET 60 8.882 27.986 -8.435 439 HA MET 60 HA MET 60 7.407 28.879 -10.465 440 HB2 MET 60 1HB MET 60 6.438 28.718 -7.606 441 HB3 MET 60 2HB MET 60 5.394 28.763 -9.020 442 HG2 MET 60 1HG MET 60 6.460 26.667 -9.806 443 HG3 MET 60 2HG MET 60 7.360 26.608 -8.293 444 HE1 MET 60 3HE MET 60 3.884 24.215 -8.824 445 HE2 MET 60 1HE MET 60 4.300 25.359 -10.101 446 HE3 MET 60 2HE MET 60 5.536 24.291 -9.438 447 H ALA 61 H ALA 61 7.478 30.662 -7.372 448 HA ALA 61 HA ALA 61 6.259 32.979 -8.552 449 HB1 ALA 61 1HB ALA 61 7.107 32.141 -5.861 450 HB2 ALA 61 2HB ALA 61 7.174 33.876 -6.175 451 HB3 ALA 61 3HB ALA 61 5.657 33.000 -6.382 452 H ASP 62 H ASP 62 9.516 32.030 -7.591 453 HA ASP 62 HA ASP 62 10.543 34.573 -8.652 454 HB2 ASP 62 1HB ASP 62 12.070 32.563 -6.996 455 HB3 ASP 62 2HB ASP 62 12.516 34.230 -7.347 456 HA PRO 63 HA PRO 63 11.551 31.623 -12.013 457 HB2 PRO 63 1HB PRO 63 11.390 33.489 -13.978 458 HB3 PRO 63 2HB PRO 63 9.977 32.633 -13.348 459 HG2 PRO 63 1HG PRO 63 10.983 35.373 -12.684 460 HG3 PRO 63 2HG PRO 63 9.319 34.831 -12.973 461 HD2 PRO 63 1HD PRO 63 10.314 35.219 -10.485 462 HD3 PRO 63 2HD PRO 63 9.093 33.981 -10.843 463 H ASN 64 H ASN 64 12.925 34.588 -10.892 464 HA ASN 64 HA ASN 64 15.182 34.642 -12.634 465 HB2 ASN 64 1HB ASN 64 15.072 35.886 -9.890 466 HB3 ASN 64 2HB ASN 64 15.986 36.425 -11.296 467 HD21 ASN 64 1HD2 ASN 64 13.297 36.962 -9.466 468 HD22 ASN 64 2HD2 ASN 64 12.365 37.880 -10.596 469 H LYS 65 H LYS 65 14.546 33.301 -9.439 470 HA LYS 65 HA LYS 65 17.177 32.607 -8.757 471 HB2 LYS 65 1HB LYS 65 14.464 31.698 -7.914 472 HB3 LYS 65 2HB LYS 65 15.847 30.717 -7.448 473 HG2 LYS 65 1HG LYS 65 15.678 33.664 -6.889 474 HG3 LYS 65 2HG LYS 65 15.085 32.433 -5.771 475 HD2 LYS 65 1HD LYS 65 17.856 32.163 -6.818 476 HD3 LYS 65 2HD LYS 65 17.543 33.402 -5.601 477 HE2 LYS 65 1HE LYS 65 18.212 31.437 -4.443 478 HE3 LYS 65 2HE LYS 65 16.475 31.616 -4.199 479 HZ1 LYS 65 3HZ LYS 65 17.588 29.904 -6.340 480 HZ2 LYS 65 1HZ LYS 65 16.022 29.896 -5.698 481 HZ3 LYS 65 2HZ LYS 65 17.317 29.319 -4.775 482 H ALA 66 H ALA 66 14.756 30.964 -10.703 483 HA ALA 66 HA ALA 66 15.502 28.425 -10.951 484 HB1 ALA 66 1HB ALA 66 14.772 30.412 -13.052 485 HB2 ALA 66 2HB ALA 66 15.244 28.781 -13.530 486 HB3 ALA 66 3HB ALA 66 13.868 29.021 -12.453 487 H ASP 67 H ASP 67 17.204 31.027 -12.702 488 HA ASP 67 HA ASP 67 19.170 29.605 -13.947 489 HB2 ASP 67 1HB ASP 67 19.224 32.323 -12.659 490 HB3 ASP 67 2HB ASP 67 20.646 31.676 -13.473 491 H GLU 68 H GLU 68 19.453 30.978 -10.665 492 HA GLU 68 HA GLU 68 21.933 29.841 -10.056 493 HB2 GLU 68 1HB GLU 68 21.085 31.616 -8.692 494 HB3 GLU 68 2HB GLU 68 19.648 30.692 -8.279 495 HG2 GLU 68 1HG GLU 68 20.766 29.357 -6.781 496 HG3 GLU 68 2HG GLU 68 22.330 29.622 -7.549 497 H VAL 69 H VAL 69 18.672 28.703 -9.172 498 HA VAL 69 HA VAL 69 19.323 26.403 -7.821 499 HB VAL 69 HB VAL 69 17.008 26.870 -9.700 500 HG11 VAL 69 1HG1 VAL 69 16.134 24.988 -7.954 501 HG12 VAL 69 2HG1 VAL 69 16.745 24.640 -9.573 502 HG13 VAL 69 3HG1 VAL 69 17.812 24.492 -8.176 503 HG21 VAL 69 3HG2 VAL 69 15.988 26.843 -7.195 504 HG22 VAL 69 1HG2 VAL 69 17.586 27.525 -6.891 505 HG23 VAL 69 2HG2 VAL 69 16.497 28.305 -8.039 506 H TYR 70 H TYR 70 18.483 26.506 -11.290 507 HA TYR 70 HA TYR 70 18.926 24.007 -12.109 508 HB2 TYR 70 1HB TYR 70 19.934 26.523 -13.442 509 HB3 TYR 70 2HB TYR 70 19.922 24.949 -14.228 510 HD1 TYR 70 1HD TYR 70 17.325 23.875 -13.298 511 HD2 TYR 70 2HD TYR 70 18.373 27.770 -14.651 512 HE1 TYR 70 1HE TYR 70 15.000 24.246 -14.012 513 HE2 TYR 70 2HE TYR 70 16.052 28.153 -15.367 514 HH TYR 70 HH TYR 70 13.882 27.369 -15.075 515 H LYS 71 H LYS 71 21.534 26.341 -11.504 516 HA LYS 71 HA LYS 71 23.671 24.647 -12.176 517 HB2 LYS 71 1HB LYS 71 23.358 27.164 -10.623 518 HB3 LYS 71 2HB LYS 71 24.843 26.251 -10.385 519 HG2 LYS 71 1HG LYS 71 25.507 27.589 -12.090 520 HG3 LYS 71 2HG LYS 71 24.837 26.255 -13.031 521 HD2 LYS 71 1HD LYS 71 23.004 28.453 -12.229 522 HD3 LYS 71 2HD LYS 71 24.178 28.780 -13.506 523 HE2 LYS 71 1HE LYS 71 23.353 26.741 -14.683 524 HE3 LYS 71 2HE LYS 71 22.092 26.604 -13.459 525 HZ1 LYS 71 3HZ LYS 71 22.480 28.912 -15.287 526 HZ2 LYS 71 1HZ LYS 71 21.270 28.779 -14.112 527 HZ3 LYS 71 2HZ LYS 71 21.283 27.726 -15.436 528 H LYS 72 H LYS 72 22.074 25.275 -9.074 529 HA LYS 72 HA LYS 72 23.731 23.788 -7.415 530 HB2 LYS 72 1HB LYS 72 20.863 24.602 -7.318 531 HB3 LYS 72 2HB LYS 72 21.424 23.401 -6.161 532 HG2 LYS 72 1HG LYS 72 21.588 25.504 -5.100 533 HG3 LYS 72 2HG LYS 72 23.233 25.019 -5.515 534 HD2 LYS 72 1HD LYS 72 22.779 26.387 -7.693 535 HD3 LYS 72 2HD LYS 72 21.517 27.148 -6.722 536 HE2 LYS 72 1HE LYS 72 23.016 28.154 -5.318 537 HE3 LYS 72 2HE LYS 72 24.231 26.896 -5.538 538 HZ1 LYS 72 3HZ LYS 72 25.194 28.069 -7.138 539 HZ2 LYS 72 1HZ LYS 72 24.182 29.365 -6.741 540 HZ3 LYS 72 2HZ LYS 72 23.737 28.289 -7.967 541 H TRP 73 H TRP 73 20.679 22.704 -8.913 542 HA TRP 73 HA TRP 73 20.659 20.088 -8.138 543 HB2 TRP 73 1HB TRP 73 19.801 21.375 -10.721 544 HB3 TRP 73 2HB TRP 73 19.579 19.650 -10.440 545 HD1 TRP 73 HD TRP 73 18.809 20.130 -7.250 546 HE1 TRP 73 1HE TRP 73 16.416 20.926 -6.740 547 HE3 TRP 73 3HE TRP 73 17.586 22.019 -11.840 548 HZ2 TRP 73 2HZ TRP 73 14.290 22.187 -8.103 549 HZ3 TRP 73 3HZ TRP 73 15.352 23.002 -12.154 550 HH2 TRP 73 HH TRP 73 13.740 23.083 -10.323 551 H ALA 74 H ALA 74 22.018 21.167 -11.260 552 HA ALA 74 HA ALA 74 23.200 18.811 -12.037 553 HB1 ALA 74 1HB ALA 74 23.064 20.758 -13.484 554 HB2 ALA 74 2HB ALA 74 24.247 21.603 -12.486 555 HB3 ALA 74 3HB ALA 74 24.724 20.169 -13.395 556 H ASP 75 H ASP 75 24.435 21.239 -9.801 557 HA ASP 75 HA ASP 75 27.043 20.187 -9.541 558 HB2 ASP 75 1HB ASP 75 25.348 22.093 -8.009 559 HB3 ASP 75 2HB ASP 75 26.737 21.399 -7.177 560 H LYS 76 H LYS 76 24.032 19.574 -7.801 561 HA LYS 76 HA LYS 76 25.080 17.976 -5.749 562 HB2 LYS 76 1HB LYS 76 22.355 17.810 -7.049 563 HB3 LYS 76 2HB LYS 76 22.791 17.124 -5.489 564 HG2 LYS 76 1HG LYS 76 23.117 20.052 -5.997 565 HG3 LYS 76 2HG LYS 76 21.540 19.380 -5.576 566 HD2 LYS 76 1HD LYS 76 22.479 18.438 -3.529 567 HD3 LYS 76 2HD LYS 76 24.069 19.076 -3.955 568 HE2 LYS 76 1HE LYS 76 21.662 20.851 -3.672 569 HE3 LYS 76 2HE LYS 76 22.663 20.411 -2.289 570 HZ1 LYS 76 3HZ LYS 76 24.499 21.513 -3.180 571 HZ2 LYS 76 1HZ LYS 76 23.209 22.564 -3.488 572 HZ3 LYS 76 2HZ LYS 76 23.829 21.600 -4.731 573 H GLY 77 H GLY 77 23.807 17.099 -8.948 574 HA2 GLY 77 1HA GLY 77 25.109 15.325 -10.106 575 HA3 GLY 77 2HA GLY 77 25.049 14.441 -8.589 576 H TYR 78 H TYR 78 22.488 16.221 -10.283 577 HA TYR 78 HA TYR 78 20.852 13.790 -10.182 578 HB2 TYR 78 1HB TYR 78 20.010 16.647 -10.711 579 HB3 TYR 78 2HB TYR 78 18.933 15.270 -10.506 580 HD1 TYR 78 1HD TYR 78 19.911 13.886 -8.194 581 HD2 TYR 78 2HD TYR 78 19.760 18.076 -8.916 582 HE1 TYR 78 1HE TYR 78 19.845 14.295 -5.770 583 HE2 TYR 78 2HE TYR 78 19.694 18.497 -6.494 584 HH TYR 78 HH TYR 78 18.817 16.623 -4.325 585 H THR 79 H THR 79 19.136 13.838 -12.082 586 HA THR 79 HA THR 79 20.185 14.691 -14.625 587 HB THR 79 HB THR 79 21.479 12.620 -14.252 588 HG1 THR 79 1HG THR 79 20.426 11.518 -16.232 589 HG21 THR 79 3HG2 THR 79 18.944 11.044 -14.493 590 HG22 THR 79 1HG2 THR 79 19.506 11.582 -12.911 591 HG23 THR 79 2HG2 THR 79 20.524 10.534 -13.899 592 H LEU 80 H LEU 80 18.690 14.412 -16.354 593 HA LEU 80 HA LEU 80 16.112 14.999 -15.958 594 HB2 LEU 80 1HB LEU 80 17.178 13.139 -18.075 595 HB3 LEU 80 2HB LEU 80 15.579 13.879 -18.114 596 HG LEU 80 HG LEU 80 18.069 15.552 -18.007 597 HD11 LEU 80 1HD1 LEU 80 17.576 13.762 -20.043 598 HD12 LEU 80 2HD1 LEU 80 18.572 15.212 -20.149 599 HD13 LEU 80 3HD1 LEU 80 16.880 15.268 -20.642 600 HD21 LEU 80 3HD2 LEU 80 15.200 15.979 -18.787 601 HD22 LEU 80 1HD2 LEU 80 16.479 17.091 -19.277 602 HD23 LEU 80 2HD2 LEU 80 16.150 16.825 -17.565 603 H THR 81 H THR 81 17.304 11.654 -16.215 604 HA THR 81 HA THR 81 14.960 10.267 -15.897 605 HB THR 81 HB THR 81 17.627 9.545 -14.663 606 HG1 THR 81 1HG THR 81 16.657 8.462 -17.068 607 HG21 THR 81 3HG2 THR 81 15.416 8.317 -13.981 608 HG22 THR 81 1HG2 THR 81 16.863 7.387 -14.365 609 HG23 THR 81 2HG2 THR 81 15.583 7.561 -15.566 610 H GLN 82 H GLN 82 17.111 11.364 -13.272 611 HA GLN 82 HA GLN 82 15.278 10.566 -11.224 612 HB2 GLN 82 1HB GLN 82 17.730 12.331 -11.125 613 HB3 GLN 82 2HB GLN 82 16.836 11.788 -9.711 614 HG2 GLN 82 1HG GLN 82 18.347 10.079 -11.670 615 HG3 GLN 82 2HG GLN 82 18.768 10.408 -9.990 616 HE21 GLN 82 1HE2 GLN 82 18.517 7.839 -11.022 617 HE22 GLN 82 2HE2 GLN 82 17.164 7.068 -10.274 618 H MET 83 H MET 83 16.483 13.790 -12.178 619 HA MET 83 HA MET 83 14.984 15.461 -10.734 620 HB2 MET 83 1HB MET 83 16.525 16.159 -12.546 621 HB3 MET 83 2HB MET 83 15.299 15.728 -13.730 622 HG2 MET 83 1HG MET 83 15.331 18.118 -13.346 623 HG3 MET 83 2HG MET 83 13.804 17.417 -12.814 624 HE1 MET 83 3HE MET 83 17.272 18.308 -10.011 625 HE2 MET 83 1HE MET 83 17.336 17.849 -11.713 626 HE3 MET 83 2HE MET 83 17.056 19.531 -11.264 627 H SER 84 H SER 84 13.770 14.333 -13.897 628 HA SER 84 HA SER 84 11.198 15.253 -13.724 629 HB2 SER 84 1HB SER 84 11.948 14.262 -15.769 630 HB3 SER 84 2HB SER 84 12.242 12.711 -14.983 631 HG SER 84 HG SER 84 10.303 12.346 -15.782 632 H ASN 85 H ASN 85 12.270 11.992 -12.751 633 HA ASN 85 HA ASN 85 9.939 10.977 -11.762 634 HB2 ASN 85 1HB ASN 85 12.781 10.652 -10.824 635 HB3 ASN 85 2HB ASN 85 11.459 9.793 -10.039 636 HD21 ASN 85 1HD2 ASN 85 13.560 8.502 -11.303 637 HD22 ASN 85 2HD2 ASN 85 12.953 7.671 -12.691 638 H PHE 86 H PHE 86 11.954 13.443 -10.343 639 HA PHE 86 HA PHE 86 10.546 13.388 -7.811 640 HB2 PHE 86 1HB PHE 86 12.610 15.344 -8.844 641 HB3 PHE 86 2HB PHE 86 12.022 15.242 -7.188 642 HD1 PHE 86 1HD PHE 86 12.016 12.374 -6.684 643 HD2 PHE 86 2HD PHE 86 14.845 14.774 -8.771 644 HE1 PHE 86 1HE PHE 86 13.782 10.745 -6.157 645 HE2 PHE 86 2HE PHE 86 16.616 13.148 -8.248 646 HZ PHE 86 HZ PHE 86 16.085 11.130 -6.940 647 H LEU 87 H LEU 87 10.717 15.415 -10.693 648 HA LEU 87 HA LEU 87 8.767 17.281 -9.619 649 HB2 LEU 87 1HB LEU 87 10.204 17.136 -12.261 650 HB3 LEU 87 2HB LEU 87 9.027 18.382 -11.853 651 HG LEU 87 HG LEU 87 11.633 17.917 -10.404 652 HD11 LEU 87 1HD1 LEU 87 11.854 18.749 -12.751 653 HD12 LEU 87 2HD1 LEU 87 12.467 19.850 -11.517 654 HD13 LEU 87 3HD1 LEU 87 10.906 20.159 -12.277 655 HD21 LEU 87 3HD2 LEU 87 9.274 19.313 -9.665 656 HD22 LEU 87 1HD2 LEU 87 10.530 20.502 -10.012 657 HD23 LEU 87 2HD2 LEU 87 10.820 19.235 -8.818 658 H LYS 88 H LYS 88 8.024 14.480 -10.082 659 HA LYS 88 HA LYS 88 5.947 14.856 -12.138 660 HB2 LYS 88 1HB LYS 88 7.566 12.499 -11.314 661 HB3 LYS 88 2HB LYS 88 5.904 12.206 -11.808 662 HG2 LYS 88 1HG LYS 88 6.303 13.149 -13.965 663 HG3 LYS 88 2HG LYS 88 7.908 13.703 -13.480 664 HD2 LYS 88 1HD LYS 88 8.344 11.763 -14.695 665 HD3 LYS 88 2HD LYS 88 8.391 11.216 -13.018 666 HE2 LYS 88 1HE LYS 88 7.072 9.591 -13.953 667 HE3 LYS 88 2HE LYS 88 5.843 10.744 -13.434 668 HZ1 LYS 88 3HZ LYS 88 5.856 9.766 -15.850 669 HZ2 LYS 88 1HZ LYS 88 6.950 11.027 -16.130 670 HZ3 LYS 88 2HZ LYS 88 5.393 11.367 -15.562 671 H SER 89 H SER 89 4.914 16.042 -10.250 672 HA SER 89 HA SER 89 3.874 14.443 -8.102 673 HB2 SER 89 1HB SER 89 4.309 16.787 -7.689 674 HB3 SER 89 2HB SER 89 3.237 17.260 -9.007 675 HG SER 89 HG SER 89 1.747 17.291 -7.535 676 H LYS 90 H LYS 90 2.880 12.789 -9.457 677 HA LYS 90 HA LYS 90 1.203 11.914 -10.800 678 HB2 LYS 90 1HB LYS 90 -0.961 12.050 -9.632 679 HB3 LYS 90 2HB LYS 90 0.366 11.733 -8.521 680 HG2 LYS 90 1HG LYS 90 -0.435 14.557 -8.940 681 HG3 LYS 90 2HG LYS 90 -1.512 13.520 -8.002 682 HD2 LYS 90 1HD LYS 90 0.774 12.864 -6.821 683 HD3 LYS 90 2HD LYS 90 1.234 14.472 -7.383 684 HE2 LYS 90 1HE LYS 90 -1.318 13.985 -5.877 685 HE3 LYS 90 2HE LYS 90 0.209 14.274 -5.046 686 HZ1 LYS 90 3HZ LYS 90 -0.453 16.403 -5.210 687 HZ2 LYS 90 1HZ LYS 90 -1.469 16.118 -6.533 688 HZ3 LYS 90 2HZ LYS 90 0.196 16.297 -6.769 689 H THR 91 H THR 91 2.096 14.284 -11.980 690 HA THR 91 HA THR 91 -0.357 15.129 -13.320 691 HB THR 91 HB THR 91 1.663 17.138 -12.308 692 HG1 THR 91 1HG THR 91 0.494 17.130 -10.553 693 HG21 THR 91 3HG2 THR 91 -1.028 17.910 -13.286 694 HG22 THR 91 1HG2 THR 91 0.154 17.414 -14.497 695 HG23 THR 91 2HG2 THR 91 0.511 18.761 -13.416 696 H ALA 92 H ALA 92 -0.111 15.444 -15.471 697 HA ALA 92 HA ALA 92 2.474 14.786 -16.618 698 HB1 ALA 92 1HB ALA 92 0.608 15.371 -18.654 699 HB2 ALA 92 2HB ALA 92 1.202 13.792 -18.138 700 HB3 ALA 92 3HB ALA 92 -0.249 14.471 -17.402 701 H GLY 93 H GLY 93 2.288 17.322 -15.286 702 HA2 GLY 93 1HA GLY 93 3.734 19.005 -16.795 703 HA3 GLY 93 2HA GLY 93 2.106 19.337 -17.366 704 H LYS 94 H LYS 94 3.665 18.828 -14.197 705 HA LYS 94 HA LYS 94 2.057 21.022 -13.120 706 HB2 LYS 94 1HB LYS 94 1.946 19.052 -11.785 707 HB3 LYS 94 2HB LYS 94 3.693 18.847 -11.821 708 HG2 LYS 94 1HG LYS 94 3.350 19.679 -9.707 709 HG3 LYS 94 2HG LYS 94 3.729 21.145 -10.615 710 HD2 LYS 94 1HD LYS 94 1.335 21.613 -10.847 711 HD3 LYS 94 2HD LYS 94 0.961 20.150 -9.933 712 HE2 LYS 94 1HE LYS 94 1.687 21.049 -7.943 713 HE3 LYS 94 2HE LYS 94 2.777 22.187 -8.732 714 HZ1 LYS 94 3HZ LYS 94 1.215 23.729 -8.595 715 HZ2 LYS 94 1HZ LYS 94 0.175 22.640 -7.823 716 HZ3 LYS 94 2HZ LYS 94 0.151 22.782 -9.508 717 H TYR 95 H TYR 95 5.440 19.947 -13.279 718 HA TYR 95 HA TYR 95 6.257 22.720 -12.707 719 HB2 TYR 95 1HB TYR 95 7.654 20.108 -12.117 720 HB3 TYR 95 2HB TYR 95 8.450 21.674 -11.998 721 HD1 TYR 95 2HD TYR 95 5.674 19.634 -10.631 722 HD2 TYR 95 1HD TYR 95 8.180 23.029 -10.085 723 HE1 TYR 95 2HE TYR 95 4.830 19.881 -8.334 724 HE2 TYR 95 1HE TYR 95 7.345 23.284 -7.786 725 HH TYR 95 HH TYR 95 5.650 20.900 -6.172 726 H ASP 96 H ASP 96 5.517 21.931 -15.294 727 HA ASP 96 HA ASP 96 7.647 21.100 -16.921 728 HB2 ASP 96 1HB ASP 96 5.217 21.226 -17.579 729 HB3 ASP 96 2HB ASP 96 5.418 22.968 -17.740 730 H ARG 97 H ARG 97 6.462 24.390 -16.232 731 HA ARG 97 HA ARG 97 8.191 25.892 -17.706 732 HB2 ARG 97 1HB ARG 97 6.326 26.558 -15.975 733 HB3 ARG 97 2HB ARG 97 7.689 26.718 -14.875 734 HG2 ARG 97 1HG ARG 97 7.619 28.098 -17.539 735 HG3 ARG 97 2HG ARG 97 6.917 28.811 -16.084 736 HD2 ARG 97 1HD ARG 97 9.147 28.505 -14.976 737 HD3 ARG 97 2HD ARG 97 9.792 28.039 -16.549 738 HE ARG 97 HE ARG 97 8.448 30.557 -16.634 739 HH11 ARG 97 2HH1 ARG 97 11.438 28.991 -15.778 740 HH12 ARG 97 1HH1 ARG 97 12.399 30.415 -16.003 741 HH21 ARG 97 2HH2 ARG 97 9.703 32.438 -16.934 742 HH22 ARG 97 1HH2 ARG 97 11.411 32.375 -16.660 743 H VAL 98 H VAL 98 8.836 24.439 -14.540 744 HA VAL 98 HA VAL 98 11.502 25.495 -14.388 745 HB VAL 98 HB VAL 98 10.211 23.293 -12.772 746 HG11 VAL 98 1HG1 VAL 98 12.391 22.939 -12.256 747 HG12 VAL 98 2HG1 VAL 98 12.878 24.575 -12.702 748 HG13 VAL 98 3HG1 VAL 98 12.089 24.280 -11.152 749 HG21 VAL 98 3HG2 VAL 98 10.304 26.267 -12.472 750 HG22 VAL 98 1HG2 VAL 98 8.943 25.164 -12.274 751 HG23 VAL 98 2HG2 VAL 98 10.205 25.235 -11.045 752 H TYR 99 H TYR 99 10.093 22.299 -15.037 753 HA TYR 99 HA TYR 99 12.396 20.804 -15.284 754 HB2 TYR 99 1HB TYR 99 10.152 19.828 -15.365 755 HB3 TYR 99 2HB TYR 99 9.869 20.577 -16.933 756 HD1 TYR 99 1HD TYR 99 12.290 18.274 -15.259 757 HD2 TYR 99 2HD TYR 99 10.229 19.312 -18.833 758 HE1 TYR 99 1HE TYR 99 13.227 16.289 -16.368 759 HE2 TYR 99 2HE TYR 99 11.159 17.329 -19.952 760 HH TYR 99 HH TYR 99 12.396 14.786 -18.461 761 H ASN 100 H ASN 100 10.669 22.449 -17.939 762 HA ASN 100 HA ASN 100 12.232 21.925 -20.068 763 HB2 ASN 100 1HB ASN 100 10.821 24.426 -19.225 764 HB3 ASN 100 2HB ASN 100 11.831 24.462 -20.667 765 HD21 ASN 100 1HD2 ASN 100 8.940 23.230 -19.219 766 HD22 ASN 100 2HD2 ASN 100 8.239 22.594 -20.664 767 H GLY 101 H GLY 101 12.913 24.502 -17.702 768 HA2 GLY 101 1HA GLY 101 15.243 25.513 -18.779 769 HA3 GLY 101 2HA GLY 101 14.904 25.451 -17.056 770 H TYR 102 H TYR 102 15.232 23.160 -16.102 771 HA TYR 102 HA TYR 102 17.858 22.521 -16.008 772 HB2 TYR 102 1HB TYR 102 16.020 21.572 -14.570 773 HB3 TYR 102 2HB TYR 102 15.684 20.427 -15.865 774 HD1 TYR 102 1HD TYR 102 18.892 21.654 -14.392 775 HD2 TYR 102 2HD TYR 102 16.360 18.327 -15.177 776 HE1 TYR 102 1HE TYR 102 20.611 20.142 -13.494 777 HE2 TYR 102 2HE TYR 102 18.072 16.805 -14.280 778 HH TYR 102 HH TYR 102 20.185 16.628 -13.564 779 H VAL 103 H VAL 103 15.487 21.080 -18.225 780 HA VAL 103 HA VAL 103 17.071 19.212 -19.489 781 HB VAL 103 HB VAL 103 14.946 20.955 -20.743 782 HG11 VAL 103 1HG1 VAL 103 15.940 20.066 -22.605 783 HG12 VAL 103 2HG1 VAL 103 16.499 18.624 -21.754 784 HG13 VAL 103 3HG1 VAL 103 14.802 18.777 -22.213 785 HG21 VAL 103 3HG2 VAL 103 14.735 18.164 -19.621 786 HG22 VAL 103 1HG2 VAL 103 14.230 19.626 -18.774 787 HG23 VAL 103 2HG2 VAL 103 13.424 19.151 -20.269 788 H ILE 104 H ILE 104 16.671 22.641 -20.351 789 HA ILE 104 HA ILE 104 18.463 22.593 -22.535 790 HB ILE 104 HB ILE 104 17.637 24.929 -20.807 791 HG12 ILE 104 1HG1 ILE 104 16.579 24.250 -23.541 792 HG13 ILE 104 2HG1 ILE 104 15.863 23.553 -22.092 793 HG21 ILE 104 1HG2 ILE 104 18.274 26.273 -22.817 794 HG22 ILE 104 2HG2 ILE 104 19.629 25.513 -21.984 795 HG23 ILE 104 3HG2 ILE 104 19.014 24.818 -23.483 796 HD11 ILE 104 3HD1 ILE 104 16.099 26.490 -22.703 797 HD12 ILE 104 1HD1 ILE 104 14.638 25.512 -22.841 798 HD13 ILE 104 2HD1 ILE 104 15.369 25.787 -21.260 799 H HIS 105 H HIS 105 18.879 23.541 -19.138 800 HA HIS 105 HA HIS 105 21.414 24.526 -19.117 801 HB2 HIS 105 1HB HIS 105 20.197 24.438 -17.069 802 HB3 HIS 105 2HB HIS 105 20.073 22.682 -17.139 803 HD1 HIS 105 1HD HIS 105 22.239 25.418 -15.961 804 HD2 HIS 105 2HD HIS 105 22.516 21.310 -16.519 805 HE1 HIS 105 1HE HIS 105 24.284 24.702 -14.685 806 HE2 HIS 105 2HE HIS 105 24.480 22.227 -15.107 807 H LEU 106 H LEU 106 20.669 21.067 -18.639 808 HA LEU 106 HA LEU 106 23.304 20.157 -18.761 809 HB2 LEU 106 1HB LEU 106 20.646 18.879 -19.245 810 HB3 LEU 106 2HB LEU 106 22.127 17.978 -19.563 811 HG LEU 106 HG LEU 106 21.418 19.190 -16.893 812 HD11 LEU 106 1HD1 LEU 106 21.166 16.657 -16.357 813 HD12 LEU 106 2HD1 LEU 106 20.851 16.512 -18.086 814 HD13 LEU 106 3HD1 LEU 106 19.823 17.538 -17.086 815 HD21 LEU 106 3HD2 LEU 106 23.865 18.466 -17.820 816 HD22 LEU 106 1HD2 LEU 106 23.310 16.956 -17.098 817 HD23 LEU 106 2HD2 LEU 106 23.384 18.424 -16.123 818 H ASP 107 H ASP 107 20.944 20.721 -21.313 819 HA ASP 107 HA ASP 107 21.879 19.502 -23.498 820 HB2 ASP 107 1HB ASP 107 20.087 21.336 -23.325 821 HB3 ASP 107 2HB ASP 107 21.400 22.473 -23.616 822 H TYR 108 H TYR 108 23.497 22.140 -21.845 823 HA TYR 108 HA TYR 108 25.359 23.058 -23.544 824 HB2 TYR 108 1HB TYR 108 26.652 23.642 -21.723 825 HB3 TYR 108 2HB TYR 108 25.109 23.324 -20.938 826 HD1 TYR 108 1HD TYR 108 24.768 21.164 -19.731 827 HD2 TYR 108 2HD TYR 108 28.572 22.330 -21.240 828 HE1 TYR 108 1HE TYR 108 25.849 19.510 -18.267 829 HE2 TYR 108 2HE TYR 108 29.663 20.678 -19.781 830 HH TYR 108 HH TYR 108 28.200 19.252 -17.203 Start of MODEL 9 1 H1 GLY 1 H GLY 1 45.093 77.620 30.869 2 HA2 GLY 1 1HA GLY 1 46.172 74.968 31.603 3 HA3 GLY 1 2HA GLY 1 45.810 76.189 32.815 4 H SER 2 H SER 2 44.708 73.621 32.863 5 HA SER 2 HA SER 2 41.919 74.278 32.974 6 HB2 SER 2 1HB SER 2 42.946 72.392 30.860 7 HB3 SER 2 2HB SER 2 41.304 72.262 31.491 8 HG SER 2 HG SER 2 41.358 74.694 30.959 9 H SER 3 H SER 3 40.706 72.780 34.174 10 HA SER 3 HA SER 3 42.064 70.414 35.201 11 HB2 SER 3 1HB SER 3 42.647 72.307 36.736 12 HB3 SER 3 2HB SER 3 40.927 72.502 37.074 13 HG SER 3 HG SER 3 42.468 70.164 37.548 14 H GLY 4 H GLY 4 40.545 69.169 36.702 15 HA2 GLY 4 1HA GLY 4 37.933 69.335 37.111 16 HA3 GLY 4 2HA GLY 4 37.947 69.055 35.376 17 H SER 5 H SER 5 37.078 67.459 37.839 18 HA SER 5 HA SER 5 38.006 64.910 36.829 19 HB2 SER 5 1HB SER 5 38.615 65.822 39.647 20 HB3 SER 5 2HB SER 5 38.664 64.133 39.141 21 HG SER 5 HG SER 5 40.211 64.830 37.521 22 H SER 6 H SER 6 36.223 63.749 36.622 23 HA SER 6 HA SER 6 34.130 64.000 38.683 24 HB2 SER 6 1HB SER 6 32.446 63.630 36.958 25 HB3 SER 6 2HB SER 6 33.449 65.014 36.523 26 HG SER 6 HG SER 6 34.320 63.903 34.912 27 H GLY 7 H GLY 7 32.822 62.089 39.034 28 HA2 GLY 7 1HA GLY 7 33.466 59.572 37.901 29 HA3 GLY 7 2HA GLY 7 34.307 59.770 39.431 30 H ASN 8 H ASN 8 31.693 58.396 38.127 31 HA ASN 8 HA ASN 8 30.243 58.472 40.671 32 HB2 ASN 8 1HB ASN 8 29.109 59.068 37.949 33 HB3 ASN 8 2HB ASN 8 28.090 58.421 39.232 34 HD21 ASN 8 1HD2 ASN 8 27.578 59.693 40.983 35 HD22 ASN 8 2HD2 ASN 8 27.880 61.394 41.023 36 H VAL 9 H VAL 9 28.406 56.740 40.565 37 HA VAL 9 HA VAL 9 29.265 54.389 39.041 38 HB VAL 9 HB VAL 9 28.802 54.380 42.027 39 HG11 VAL 9 1HG1 VAL 9 28.445 52.189 41.923 40 HG12 VAL 9 2HG1 VAL 9 28.351 52.338 40.167 41 HG13 VAL 9 3HG1 VAL 9 29.889 51.949 40.940 42 HG21 VAL 9 3HG2 VAL 9 31.316 53.596 40.582 43 HG22 VAL 9 1HG2 VAL 9 31.018 55.252 41.111 44 HG23 VAL 9 2HG2 VAL 9 31.094 53.948 42.296 45 H ASP 10 H ASP 10 27.580 53.517 38.048 46 HA ASP 10 HA ASP 10 24.986 53.430 39.383 47 HB2 ASP 10 1HB ASP 10 24.985 55.499 38.015 48 HB3 ASP 10 2HB ASP 10 25.326 54.530 36.585 49 H SER 11 H SER 11 24.382 51.378 39.341 50 HA SER 11 HA SER 11 25.215 49.699 37.076 51 HB2 SER 11 1HB SER 11 25.736 49.179 39.616 52 HB3 SER 11 2HB SER 11 24.093 48.538 39.593 53 HG SER 11 HG SER 11 24.730 46.927 38.375 54 H ASN 12 H ASN 12 23.749 48.825 35.747 55 HA ASN 12 HA ASN 12 20.914 48.935 36.532 56 HB2 ASN 12 1HB ASN 12 20.333 49.533 34.216 57 HB3 ASN 12 2HB ASN 12 21.368 50.752 34.955 58 HD21 ASN 12 1HD2 ASN 12 23.246 51.255 34.011 59 HD22 ASN 12 2HD2 ASN 12 23.890 50.468 32.615 60 H GLN 13 H GLN 13 19.539 47.371 35.503 61 HA GLN 13 HA GLN 13 21.001 45.038 34.453 62 HB2 GLN 13 1HB GLN 13 19.489 43.571 35.628 63 HB3 GLN 13 2HB GLN 13 20.198 44.696 36.778 64 HG2 GLN 13 1HG GLN 13 17.961 44.607 37.385 65 HG3 GLN 13 2HG GLN 13 18.084 46.089 36.440 66 HE21 GLN 13 1HE2 GLN 13 17.650 42.635 35.734 67 HE22 GLN 13 2HE2 GLN 13 16.295 42.846 34.683 68 H ASN 14 H ASN 14 20.095 43.928 32.757 69 HA ASN 14 HA ASN 14 17.437 44.279 31.852 70 HB2 ASN 14 1HB ASN 14 18.241 45.391 29.622 71 HB3 ASN 14 2HB ASN 14 17.890 46.398 31.024 72 HD21 ASN 14 1HD2 ASN 14 20.546 44.683 29.435 73 HD22 ASN 14 2HD2 ASN 14 21.760 45.849 29.823 74 H LYS 15 H LYS 15 16.911 42.582 30.620 75 HA LYS 15 HA LYS 15 18.628 41.409 28.692 76 HB2 LYS 15 1HB LYS 15 19.616 40.613 30.908 77 HB3 LYS 15 2HB LYS 15 18.145 39.669 31.108 78 HG2 LYS 15 1HG LYS 15 18.640 38.294 29.284 79 HG3 LYS 15 2HG LYS 15 19.848 39.417 28.653 80 HD2 LYS 15 1HD LYS 15 20.237 38.215 31.359 81 HD3 LYS 15 2HD LYS 15 20.582 37.246 29.925 82 HE2 LYS 15 1HE LYS 15 21.701 40.009 30.201 83 HE3 LYS 15 2HE LYS 15 22.479 38.647 31.004 84 HZ1 LYS 15 3HZ LYS 15 22.536 37.546 28.778 85 HZ2 LYS 15 1HZ LYS 15 23.516 38.919 28.912 86 HZ3 LYS 15 2HZ LYS 15 22.038 39.012 28.096 87 H ALA 16 H ALA 16 17.679 39.255 27.909 88 HA ALA 16 HA ALA 16 14.747 39.303 28.211 89 HB1 ALA 16 1HB ALA 16 16.332 39.686 25.844 90 HB2 ALA 16 2HB ALA 16 15.299 38.266 25.673 91 HB3 ALA 16 3HB ALA 16 14.588 39.833 26.061 92 H SER 17 H SER 17 13.682 37.248 27.664 93 HA SER 17 HA SER 17 15.002 35.063 28.949 94 HB2 SER 17 1HB SER 17 12.920 33.825 28.503 95 HB3 SER 17 2HB SER 17 12.582 35.415 29.187 96 HG SER 17 HG SER 17 11.236 34.961 27.400 97 H MET 18 H MET 18 16.718 34.283 27.825 98 HA MET 18 HA MET 18 16.963 34.019 25.073 99 HB2 MET 18 1HB MET 18 18.189 32.274 27.217 100 HB3 MET 18 2HB MET 18 18.739 32.379 25.550 101 HG2 MET 18 1HG MET 18 19.518 34.571 25.826 102 HG3 MET 18 2HG MET 18 18.627 34.785 27.332 103 HE1 MET 18 3HE MET 18 21.949 34.840 26.148 104 HE2 MET 18 1HE MET 18 22.885 33.533 26.874 105 HE3 MET 18 2HE MET 18 21.735 33.182 25.584 106 H LEU 19 H LEU 19 17.232 31.821 23.945 107 HA LEU 19 HA LEU 19 14.819 30.231 24.498 108 HB2 LEU 19 1HB LEU 19 15.053 31.467 22.300 109 HB3 LEU 19 2HB LEU 19 16.348 30.338 21.909 110 HG LEU 19 HG LEU 19 14.486 28.543 22.407 111 HD11 LEU 19 1HD1 LEU 19 12.280 29.333 21.650 112 HD12 LEU 19 2HD1 LEU 19 12.892 30.987 21.651 113 HD13 LEU 19 3HD1 LEU 19 12.788 30.085 23.162 114 HD21 LEU 19 3HD2 LEU 19 13.942 28.528 20.032 115 HD22 LEU 19 1HD2 LEU 19 15.658 28.851 20.282 116 HD23 LEU 19 2HD2 LEU 19 14.564 30.171 19.868 117 H GLN 20 H GLN 20 18.086 29.820 23.119 118 HA GLN 20 HA GLN 20 18.398 27.165 23.037 119 HB2 GLN 20 1HB GLN 20 20.234 28.637 22.518 120 HB3 GLN 20 2HB GLN 20 20.357 29.150 24.196 121 HG2 GLN 20 1HG GLN 20 22.128 27.629 23.767 122 HG3 GLN 20 2HG GLN 20 20.954 26.811 24.797 123 HE21 GLN 20 1HE2 GLN 20 22.835 26.539 22.086 124 HE22 GLN 20 2HE2 GLN 20 22.042 25.203 21.331 125 H ALA 21 H ALA 21 18.466 25.441 24.362 126 HA ALA 21 HA ALA 21 18.633 25.878 27.256 127 HB1 ALA 21 1HB ALA 21 16.546 25.251 27.683 128 HB2 ALA 21 2HB ALA 21 16.227 25.333 25.950 129 HB3 ALA 21 3HB ALA 21 16.717 23.807 26.685 130 H ARG 22 H ARG 22 19.720 24.318 28.353 131 HA ARG 22 HA ARG 22 20.887 22.165 26.737 132 HB2 ARG 22 1HB ARG 22 22.560 23.517 27.765 133 HB3 ARG 22 2HB ARG 22 21.743 23.463 29.321 134 HG2 ARG 22 1HG ARG 22 22.279 21.129 29.575 135 HG3 ARG 22 2HG ARG 22 22.980 21.082 27.956 136 HD2 ARG 22 1HD ARG 22 23.984 22.705 30.292 137 HD3 ARG 22 2HD ARG 22 24.719 21.236 29.653 138 HE ARG 22 HE ARG 22 25.584 22.454 27.894 139 HH11 ARG 22 2HH1 ARG 22 23.348 24.399 29.720 140 HH12 ARG 22 1HH1 ARG 22 23.801 25.881 28.945 141 HH21 ARG 22 2HH2 ARG 22 26.189 24.397 26.865 142 HH22 ARG 22 1HH2 ARG 22 25.417 25.878 27.320 143 H LEU 23 H LEU 23 19.401 20.536 26.807 144 HA LEU 23 HA LEU 23 18.053 19.778 29.218 145 HB2 LEU 23 1HB LEU 23 18.326 18.210 26.661 146 HB3 LEU 23 2HB LEU 23 17.117 17.980 27.923 147 HG LEU 23 HG LEU 23 17.294 20.531 26.344 148 HD11 LEU 23 1HD1 LEU 23 15.383 19.525 25.012 149 HD12 LEU 23 2HD1 LEU 23 15.913 17.961 25.630 150 HD13 LEU 23 3HD1 LEU 23 17.003 18.934 24.643 151 HD21 LEU 23 3HD2 LEU 23 14.671 19.802 27.092 152 HD22 LEU 23 1HD2 LEU 23 15.648 21.138 27.699 153 HD23 LEU 23 2HD2 LEU 23 15.701 19.570 28.505 154 H ASN 24 H ASN 24 20.631 18.318 27.248 155 HA ASN 24 HA ASN 24 21.229 16.501 29.478 156 HB2 ASN 24 1HB ASN 24 22.035 16.375 26.564 157 HB3 ASN 24 2HB ASN 24 22.549 15.223 27.793 158 HD21 ASN 24 1HD2 ASN 24 20.763 15.190 25.297 159 HD22 ASN 24 2HD2 ASN 24 19.363 14.326 25.825 160 H ASP 25 H ASP 25 23.392 16.219 30.178 161 HA ASP 25 HA ASP 25 24.987 18.651 29.926 162 HB2 ASP 25 1HB ASP 25 24.874 16.397 31.891 163 HB3 ASP 25 2HB ASP 25 26.351 17.348 31.764 164 H GLU 26 H GLU 26 24.979 17.105 27.629 165 HA GLU 26 HA GLU 26 26.275 15.782 26.241 166 HB2 GLU 26 1HB GLU 26 28.452 16.837 25.831 167 HB3 GLU 26 2HB GLU 26 27.177 18.036 25.995 168 HG2 GLU 26 1HG GLU 26 27.893 18.303 28.392 169 HG3 GLU 26 2HG GLU 26 29.297 17.314 27.996 170 H ALA 27 H ALA 27 25.957 14.375 28.570 171 HA ALA 27 HA ALA 27 28.198 13.609 29.992 172 HB1 ALA 27 1HB ALA 27 26.493 12.520 30.940 173 HB2 ALA 27 2HB ALA 27 25.571 12.471 29.436 174 HB3 ALA 27 3HB ALA 27 26.809 11.255 29.751 175 H GLY 28 H GLY 28 26.919 12.071 27.033 176 HA2 GLY 28 1HA GLY 28 29.209 11.741 25.619 177 HA3 GLY 28 2HA GLY 28 29.269 10.415 26.771 178 H GLY 29 H GLY 29 29.275 9.657 24.245 179 HA2 GLY 29 1HA GLY 29 27.264 7.854 23.926 180 HA3 GLY 29 2HA GLY 29 26.622 9.308 23.176 181 H THR 30 H THR 30 28.208 6.502 22.565 182 HA THR 30 HA THR 30 29.775 7.587 20.334 183 HB THR 30 HB THR 30 30.873 5.445 20.195 184 HG1 THR 30 1HG THR 30 29.123 4.585 22.277 185 HG21 THR 30 3HG2 THR 30 30.761 6.945 22.697 186 HG22 THR 30 1HG2 THR 30 32.157 6.370 21.786 187 HG23 THR 30 2HG2 THR 30 31.326 5.288 22.903 188 H ARG 31 H ARG 31 29.661 6.487 18.249 189 HA ARG 31 HA ARG 31 26.912 5.990 17.507 190 HB2 ARG 31 1HB ARG 31 28.100 5.665 15.191 191 HB3 ARG 31 2HB ARG 31 27.932 7.272 15.885 192 HG2 ARG 31 1HG ARG 31 30.174 7.410 16.440 193 HG3 ARG 31 2HG ARG 31 30.394 5.660 16.399 194 HD2 ARG 31 1HD ARG 31 30.182 5.655 13.989 195 HD3 ARG 31 2HD ARG 31 29.834 7.384 13.989 196 HE ARG 31 HE ARG 31 32.287 7.079 15.226 197 HH11 ARG 31 2HH1 ARG 31 30.893 6.423 12.105 198 HH12 ARG 31 1HH1 ARG 31 32.385 6.632 11.249 199 HH21 ARG 31 2HH2 ARG 31 34.258 7.358 14.112 200 HH22 ARG 31 1HH2 ARG 31 34.299 7.163 12.392 201 H LEU 32 H LEU 32 26.967 3.997 18.941 202 HA LEU 32 HA LEU 32 28.301 1.709 18.712 203 HB2 LEU 32 1HB LEU 32 25.350 2.171 18.853 204 HB3 LEU 32 2HB LEU 32 25.985 0.529 18.774 205 HG LEU 32 HG LEU 32 27.440 1.399 20.819 206 HD11 LEU 32 1HD1 LEU 32 25.809 3.593 20.388 207 HD12 LEU 32 2HD1 LEU 32 26.750 3.250 21.839 208 HD13 LEU 32 3HD1 LEU 32 25.059 2.758 21.748 209 HD21 LEU 32 3HD2 LEU 32 25.809 0.388 22.297 210 HD22 LEU 32 1HD2 LEU 32 25.909 -0.528 20.793 211 HD23 LEU 32 2HD2 LEU 32 24.552 0.564 21.071 212 H LEU 33 H LEU 33 28.362 -0.136 17.402 213 HA LEU 33 HA LEU 33 27.735 0.392 14.595 214 HB2 LEU 33 1HB LEU 33 29.976 -0.246 14.877 215 HB3 LEU 33 2HB LEU 33 29.553 -1.543 15.992 216 HG LEU 33 HG LEU 33 28.711 -2.894 14.196 217 HD11 LEU 33 1HD1 LEU 33 28.372 -0.421 12.885 218 HD12 LEU 33 2HD1 LEU 33 27.899 -2.025 12.328 219 HD13 LEU 33 3HD1 LEU 33 29.485 -1.379 11.908 220 HD21 LEU 33 3HD2 LEU 33 31.306 -2.401 14.606 221 HD22 LEU 33 1HD2 LEU 33 31.186 -1.893 12.922 222 HD23 LEU 33 2HD2 LEU 33 30.727 -3.532 13.383 223 H ARG 34 H ARG 34 26.149 -0.902 17.090 224 HA ARG 34 HA ARG 34 25.311 -3.439 16.332 225 HB2 ARG 34 1HB ARG 34 23.701 -1.282 17.710 226 HB3 ARG 34 2HB ARG 34 23.289 -2.991 17.672 227 HG2 ARG 34 1HG ARG 34 25.826 -1.900 18.864 228 HG3 ARG 34 2HG ARG 34 24.357 -2.232 19.784 229 HD2 ARG 34 1HD ARG 34 25.630 -4.342 18.077 230 HD3 ARG 34 2HD ARG 34 26.203 -4.028 19.714 231 HE ARG 34 HE ARG 34 24.231 -4.912 20.559 232 HH11 ARG 34 2HH1 ARG 34 24.116 -4.709 17.085 233 HH12 ARG 34 1HH1 ARG 34 22.715 -5.718 16.942 234 HH21 ARG 34 2HH2 ARG 34 22.386 -6.241 20.384 235 HH22 ARG 34 1HH2 ARG 34 21.731 -6.588 18.819 236 H VAL 35 H VAL 35 23.271 -4.123 15.381 237 HA VAL 35 HA VAL 35 22.797 -2.844 12.878 238 HB VAL 35 HB VAL 35 22.617 -5.247 13.023 239 HG11 VAL 35 1HG1 VAL 35 20.193 -5.747 14.307 240 HG12 VAL 35 2HG1 VAL 35 21.808 -6.157 14.886 241 HG13 VAL 35 3HG1 VAL 35 21.055 -4.637 15.371 242 HG21 VAL 35 3HG2 VAL 35 20.052 -3.801 12.419 243 HG22 VAL 35 1HG2 VAL 35 21.286 -4.369 11.294 244 HG23 VAL 35 2HG2 VAL 35 20.250 -5.529 12.126 245 H HIS 36 H HIS 36 22.137 -0.728 13.622 246 HA HIS 36 HA HIS 36 19.419 -0.616 14.731 247 HB2 HIS 36 1HB HIS 36 21.709 1.324 14.691 248 HB3 HIS 36 2HB HIS 36 20.063 1.903 14.926 249 HD1 HIS 36 1HD HIS 36 22.388 2.001 17.085 250 HD2 HIS 36 2HD HIS 36 19.303 -0.777 16.921 251 HE1 HIS 36 1HE HIS 36 22.150 1.121 19.429 252 HE2 HIS 36 2HE HIS 36 20.335 -0.620 19.287 253 H HIS 37 H HIS 37 18.206 1.442 13.901 254 HA HIS 37 HA HIS 37 17.170 2.539 12.193 255 HB2 HIS 37 1HB HIS 37 19.511 1.787 10.442 256 HB3 HIS 37 2HB HIS 37 18.390 3.128 10.223 257 HD1 HIS 37 1HD HIS 37 18.684 5.182 11.835 258 HD2 HIS 37 2HD HIS 37 21.654 2.291 12.114 259 HE1 HIS 37 1HE HIS 37 20.566 6.272 13.096 260 HE2 HIS 37 2HE HIS 37 22.385 4.532 13.179 261 H GLU 38 H GLU 38 16.551 -0.145 12.724 262 HA GLU 38 HA GLU 38 16.186 -1.385 10.100 263 HB2 GLU 38 1HB GLU 38 15.900 -2.373 12.925 264 HB3 GLU 38 2HB GLU 38 15.203 -3.265 11.580 265 HG2 GLU 38 1HG GLU 38 17.451 -3.370 10.546 266 HG3 GLU 38 2HG GLU 38 18.108 -2.601 11.990 267 H SER 39 H SER 39 14.217 -1.727 9.169 268 HA SER 39 HA SER 39 12.062 -1.227 8.615 269 HB2 SER 39 1HB SER 39 11.685 -1.766 11.571 270 HB3 SER 39 2HB SER 39 10.383 -1.695 10.384 271 HG SER 39 HG SER 39 12.532 -3.408 9.882 272 H ASP 40 H ASP 40 13.605 1.033 8.983 273 HA ASP 40 HA ASP 40 11.760 2.898 10.325 274 HB2 ASP 40 1HB ASP 40 14.047 2.852 11.272 275 HB3 ASP 40 2HB ASP 40 14.692 3.297 9.695 276 H THR 41 H THR 41 11.825 5.149 9.321 277 HA THR 41 HA THR 41 10.944 4.955 6.636 278 HB THR 41 HB THR 41 10.782 7.415 6.699 279 HG1 THR 41 1HG THR 41 11.908 7.195 9.309 280 HG21 THR 41 3HG2 THR 41 9.455 5.570 8.401 281 HG22 THR 41 1HG2 THR 41 8.839 7.083 7.736 282 HG23 THR 41 2HG2 THR 41 9.664 7.076 9.295 283 H GLU 42 H GLU 42 12.624 4.127 5.380 284 HA GLU 42 HA GLU 42 15.258 4.941 5.297 285 HB2 GLU 42 1HB GLU 42 14.593 3.020 4.049 286 HB3 GLU 42 2HB GLU 42 13.449 3.954 3.095 287 HG2 GLU 42 1HG GLU 42 15.197 3.668 1.629 288 HG3 GLU 42 2HG GLU 42 15.535 5.259 2.308 289 H GLU 43 H GLU 43 16.249 6.772 4.780 290 HA GLU 43 HA GLU 43 14.783 9.043 3.872 291 HB2 GLU 43 1HB GLU 43 16.692 10.276 4.298 292 HB3 GLU 43 2HB GLU 43 16.902 8.913 5.389 293 HG2 GLU 43 1HG GLU 43 18.246 7.858 3.466 294 HG3 GLU 43 2HG GLU 43 18.306 9.494 2.814 295 H ARG 44 H ARG 44 16.938 6.721 2.366 296 HA ARG 44 HA ARG 44 17.694 7.889 0.042 297 HB2 ARG 44 1HB ARG 44 16.799 5.105 0.671 298 HB3 ARG 44 2HB ARG 44 17.143 5.535 -0.999 299 HG2 ARG 44 1HG ARG 44 19.396 5.948 -0.555 300 HG3 ARG 44 2HG ARG 44 19.123 6.066 1.184 301 HD2 ARG 44 1HD ARG 44 18.314 3.577 0.882 302 HD3 ARG 44 2HD ARG 44 19.335 3.656 -0.553 303 HE ARG 44 HE ARG 44 20.828 4.638 1.573 304 HH11 ARG 44 2HH1 ARG 44 19.328 1.647 0.613 305 HH12 ARG 44 1HH1 ARG 44 20.478 0.652 1.443 306 HH21 ARG 44 2HH2 ARG 44 22.349 3.339 2.670 307 HH22 ARG 44 1HH2 ARG 44 22.196 1.616 2.613 308 H GLY 45 H GLY 45 16.550 9.195 -1.234 309 HA2 GLY 45 1HA GLY 45 15.016 9.572 -2.973 310 HA3 GLY 45 2HA GLY 45 14.104 8.167 -2.444 311 H PHE 46 H PHE 46 13.857 8.892 0.294 312 HA PHE 46 HA PHE 46 11.504 10.372 0.246 313 HB2 PHE 46 1HB PHE 46 11.691 9.129 2.175 314 HB3 PHE 46 2HB PHE 46 13.396 9.514 2.384 315 HD1 PHE 46 1HD PHE 46 10.022 11.073 2.539 316 HD2 PHE 46 2HD PHE 46 14.032 11.072 3.966 317 HE1 PHE 46 1HE PHE 46 9.425 12.781 4.207 318 HE2 PHE 46 2HE PHE 46 13.441 12.779 5.637 319 HZ PHE 46 HZ PHE 46 11.135 13.635 5.759 320 H LEU 47 H LEU 47 14.666 11.448 1.504 321 HA LEU 47 HA LEU 47 13.869 14.165 1.722 322 HB2 LEU 47 1HB LEU 47 16.442 12.678 1.922 323 HB3 LEU 47 2HB LEU 47 16.486 14.433 1.767 324 HG LEU 47 HG LEU 47 14.904 13.059 3.924 325 HD11 LEU 47 1HD1 LEU 47 17.017 13.888 5.282 326 HD12 LEU 47 2HD1 LEU 47 17.823 13.570 3.747 327 HD13 LEU 47 3HD1 LEU 47 16.944 12.279 4.565 328 HD21 LEU 47 3HD2 LEU 47 14.890 15.640 3.088 329 HD22 LEU 47 1HD2 LEU 47 16.137 15.691 4.335 330 HD23 LEU 47 2HD2 LEU 47 14.516 15.119 4.731 331 H GLU 48 H GLU 48 15.974 12.464 -0.594 332 HA GLU 48 HA GLU 48 16.794 14.450 -2.228 333 HB2 GLU 48 1HB GLU 48 17.029 11.868 -2.454 334 HB3 GLU 48 2HB GLU 48 15.603 11.994 -3.474 335 HG2 GLU 48 1HG GLU 48 17.347 12.074 -4.987 336 HG3 GLU 48 2HG GLU 48 16.933 13.772 -4.762 337 H LYS 49 H LYS 49 13.691 12.747 -2.675 338 HA LYS 49 HA LYS 49 12.699 14.335 -4.731 339 HB2 LYS 49 1HB LYS 49 11.783 12.135 -3.680 340 HB3 LYS 49 2HB LYS 49 10.888 13.212 -2.616 341 HG2 LYS 49 1HG LYS 49 9.772 14.221 -4.494 342 HG3 LYS 49 2HG LYS 49 10.751 13.282 -5.623 343 HD2 LYS 49 1HD LYS 49 9.753 11.262 -4.227 344 HD3 LYS 49 2HD LYS 49 8.471 12.434 -3.912 345 HE2 LYS 49 1HE LYS 49 7.669 11.491 -5.830 346 HE3 LYS 49 2HE LYS 49 8.640 12.788 -6.524 347 HZ1 LYS 49 3HZ LYS 49 9.620 11.185 -7.691 348 HZ2 LYS 49 1HZ LYS 49 8.977 9.950 -6.730 349 HZ3 LYS 49 2HZ LYS 49 10.400 10.734 -6.260 350 H ALA 50 H ALA 50 12.855 14.928 -1.305 351 HA ALA 50 HA ALA 50 10.942 17.016 -1.182 352 HB1 ALA 50 1HB ALA 50 12.018 15.651 0.730 353 HB2 ALA 50 2HB ALA 50 13.298 16.862 0.657 354 HB3 ALA 50 3HB ALA 50 11.640 17.352 1.004 355 H ALA 51 H ALA 51 14.479 17.326 -0.835 356 HA ALA 51 HA ALA 51 14.808 19.985 -1.086 357 HB1 ALA 51 1HB ALA 51 16.460 17.725 -1.417 358 HB2 ALA 51 2HB ALA 51 16.779 18.801 -2.778 359 HB3 ALA 51 3HB ALA 51 16.945 19.396 -1.126 360 H VAL 52 H VAL 52 14.944 17.845 -3.943 361 HA VAL 52 HA VAL 52 15.057 19.659 -5.950 362 HB VAL 52 HB VAL 52 13.305 17.197 -5.938 363 HG11 VAL 52 1HG1 VAL 52 14.491 18.651 -8.297 364 HG12 VAL 52 2HG1 VAL 52 13.409 17.258 -8.333 365 HG13 VAL 52 3HG1 VAL 52 12.819 18.820 -7.764 366 HG21 VAL 52 3HG2 VAL 52 15.196 16.035 -6.864 367 HG22 VAL 52 1HG2 VAL 52 16.139 17.525 -6.913 368 HG23 VAL 52 2HG2 VAL 52 15.692 16.814 -5.362 369 H LYS 53 H LYS 53 11.961 18.389 -4.704 370 HA LYS 53 HA LYS 53 10.281 20.107 -6.088 371 HB2 LYS 53 1HB LYS 53 10.048 18.504 -3.593 372 HB3 LYS 53 2HB LYS 53 8.821 19.730 -3.881 373 HG2 LYS 53 1HG LYS 53 9.472 17.865 -6.095 374 HG3 LYS 53 2HG LYS 53 8.541 17.249 -4.728 375 HD2 LYS 53 1HD LYS 53 6.775 18.726 -5.113 376 HD3 LYS 53 2HD LYS 53 7.769 19.804 -6.096 377 HE2 LYS 53 1HE LYS 53 7.568 18.506 -7.965 378 HE3 LYS 53 2HE LYS 53 7.387 17.014 -7.043 379 HZ1 LYS 53 3HZ LYS 53 5.259 19.025 -6.888 380 HZ2 LYS 53 1HZ LYS 53 5.159 17.340 -6.774 381 HZ3 LYS 53 2HZ LYS 53 5.367 18.074 -8.283 382 H LYS 54 H LYS 54 11.368 20.462 -2.707 383 HA LYS 54 HA LYS 54 10.280 22.855 -2.043 384 HB2 LYS 54 1HB LYS 54 12.876 21.560 -1.359 385 HB3 LYS 54 2HB LYS 54 12.636 23.231 -0.866 386 HG2 LYS 54 1HG LYS 54 10.422 22.388 0.142 387 HG3 LYS 54 2HG LYS 54 11.141 20.783 -0.015 388 HD2 LYS 54 1HD LYS 54 13.133 21.692 1.249 389 HD3 LYS 54 2HD LYS 54 12.155 23.122 1.590 390 HE2 LYS 54 1HE LYS 54 11.877 21.746 3.468 391 HE3 LYS 54 2HE LYS 54 10.415 21.502 2.513 392 HZ1 LYS 54 3HZ LYS 54 12.775 19.698 2.532 393 HZ2 LYS 54 1HZ LYS 54 11.354 19.461 1.645 394 HZ3 LYS 54 2HZ LYS 54 11.314 19.411 3.335 395 H MET 55 H MET 55 13.361 22.443 -3.782 396 HA MET 55 HA MET 55 13.913 25.172 -4.120 397 HB2 MET 55 1HB MET 55 14.701 22.866 -5.910 398 HB3 MET 55 2HB MET 55 15.448 24.457 -5.897 399 HG2 MET 55 1HG MET 55 15.365 22.920 -3.359 400 HG3 MET 55 2HG MET 55 16.500 22.419 -4.610 401 HE1 MET 55 3HE MET 55 19.122 23.364 -3.512 402 HE2 MET 55 1HE MET 55 18.432 23.217 -5.129 403 HE3 MET 55 2HE MET 55 19.244 24.707 -4.650 404 H ALA 56 H ALA 56 12.221 22.870 -6.226 405 HA ALA 56 HA ALA 56 11.774 24.573 -8.394 406 HB1 ALA 56 1HB ALA 56 10.829 21.994 -7.504 407 HB2 ALA 56 2HB ALA 56 9.539 22.920 -8.274 408 HB3 ALA 56 3HB ALA 56 11.043 22.611 -9.143 409 H LYS 57 H LYS 57 9.485 23.744 -5.782 410 HA LYS 57 HA LYS 57 7.353 25.263 -6.301 411 HB2 LYS 57 1HB LYS 57 8.772 25.029 -3.645 412 HB3 LYS 57 2HB LYS 57 7.168 25.729 -3.827 413 HG2 LYS 57 1HG LYS 57 6.554 23.499 -4.950 414 HG3 LYS 57 2HG LYS 57 8.039 22.892 -4.214 415 HD2 LYS 57 1HD LYS 57 7.039 23.985 -2.047 416 HD3 LYS 57 2HD LYS 57 5.514 23.822 -2.921 417 HE2 LYS 57 1HE LYS 57 5.970 21.422 -3.219 418 HE3 LYS 57 2HE LYS 57 7.462 21.603 -2.298 419 HZ1 LYS 57 3HZ LYS 57 5.787 20.784 -0.844 420 HZ2 LYS 57 1HZ LYS 57 4.690 21.985 -1.310 421 HZ3 LYS 57 2HZ LYS 57 6.067 22.398 -0.420 422 H ALA 58 H ALA 58 10.306 26.557 -4.791 423 HA ALA 58 HA ALA 58 9.446 29.228 -4.641 424 HB1 ALA 58 1HB ALA 58 12.149 29.456 -4.872 425 HB2 ALA 58 2HB ALA 58 11.290 29.095 -3.374 426 HB3 ALA 58 3HB ALA 58 11.975 27.784 -4.335 427 H ILE 59 H ILE 59 11.211 27.469 -7.155 428 HA ILE 59 HA ILE 59 11.762 29.661 -8.822 429 HB ILE 59 HB ILE 59 11.324 26.775 -9.597 430 HG12 ILE 59 1HG1 ILE 59 13.908 28.260 -9.086 431 HG13 ILE 59 2HG1 ILE 59 13.125 27.211 -7.909 432 HG21 ILE 59 1HG2 ILE 59 11.825 29.140 -11.172 433 HG22 ILE 59 2HG2 ILE 59 13.127 27.965 -11.353 434 HG23 ILE 59 3HG2 ILE 59 11.462 27.496 -11.697 435 HD11 ILE 59 3HD1 ILE 59 14.500 25.666 -8.765 436 HD12 ILE 59 1HD1 ILE 59 13.273 25.550 -10.027 437 HD13 ILE 59 2HD1 ILE 59 14.711 26.540 -10.282 438 H MET 60 H MET 60 9.121 27.270 -9.008 439 HA MET 60 HA MET 60 7.714 27.982 -11.153 440 HB2 MET 60 1HB MET 60 6.494 27.629 -8.409 441 HB3 MET 60 2HB MET 60 5.631 27.486 -9.935 442 HG2 MET 60 1HG MET 60 8.017 25.775 -9.403 443 HG3 MET 60 2HG MET 60 6.454 25.360 -8.705 444 HE1 MET 60 3HE MET 60 5.449 23.231 -10.015 445 HE2 MET 60 1HE MET 60 4.449 24.677 -9.870 446 HE3 MET 60 2HE MET 60 4.503 23.791 -11.394 447 H ALA 61 H ALA 61 7.601 29.792 -8.095 448 HA ALA 61 HA ALA 61 6.020 31.895 -9.327 449 HB1 ALA 61 1HB ALA 61 5.768 32.804 -7.170 450 HB2 ALA 61 2HB ALA 61 5.687 31.055 -6.956 451 HB3 ALA 61 3HB ALA 61 7.166 31.925 -6.549 452 H ASP 62 H ASP 62 9.299 31.356 -8.170 453 HA ASP 62 HA ASP 62 10.042 34.050 -9.089 454 HB2 ASP 62 1HB ASP 62 11.104 32.237 -6.976 455 HB3 ASP 62 2HB ASP 62 12.248 33.293 -7.800 456 HA PRO 63 HA PRO 63 11.672 31.412 -12.450 457 HB2 PRO 63 1HB PRO 63 11.500 33.357 -14.336 458 HB3 PRO 63 2HB PRO 63 10.130 32.338 -13.879 459 HG2 PRO 63 1HG PRO 63 10.795 35.122 -13.002 460 HG3 PRO 63 2HG PRO 63 9.225 34.440 -13.468 461 HD2 PRO 63 1HD PRO 63 9.953 34.787 -10.883 462 HD3 PRO 63 2HD PRO 63 8.898 33.459 -11.409 463 H ASN 64 H ASN 64 12.608 34.507 -11.173 464 HA ASN 64 HA ASN 64 15.015 34.806 -12.661 465 HB2 ASN 64 1HB ASN 64 14.377 35.988 -9.952 466 HB3 ASN 64 2HB ASN 64 15.543 36.590 -11.127 467 HD21 ASN 64 1HD2 ASN 64 13.131 37.794 -9.861 468 HD22 ASN 64 2HD2 ASN 64 12.175 38.364 -11.183 469 H LYS 65 H LYS 65 14.198 33.335 -9.569 470 HA LYS 65 HA LYS 65 16.845 32.883 -8.685 471 HB2 LYS 65 1HB LYS 65 14.146 31.855 -7.956 472 HB3 LYS 65 2HB LYS 65 15.543 30.937 -7.409 473 HG2 LYS 65 1HG LYS 65 15.393 33.884 -6.933 474 HG3 LYS 65 2HG LYS 65 14.539 32.756 -5.877 475 HD2 LYS 65 1HD LYS 65 16.484 31.844 -5.054 476 HD3 LYS 65 2HD LYS 65 17.413 32.257 -6.498 477 HE2 LYS 65 1HE LYS 65 16.337 34.392 -4.691 478 HE3 LYS 65 2HE LYS 65 17.849 33.567 -4.316 479 HZ1 LYS 65 3HZ LYS 65 18.720 34.262 -6.458 480 HZ2 LYS 65 1HZ LYS 65 18.231 35.606 -5.553 481 HZ3 LYS 65 2HZ LYS 65 17.266 35.046 -6.825 482 H ALA 66 H ALA 66 14.632 31.026 -10.691 483 HA ALA 66 HA ALA 66 15.567 28.538 -10.819 484 HB1 ALA 66 1HB ALA 66 14.080 30.061 -12.509 485 HB2 ALA 66 2HB ALA 66 15.491 29.707 -13.507 486 HB3 ALA 66 3HB ALA 66 14.549 28.388 -12.814 487 H ASP 67 H ASP 67 17.081 31.080 -12.820 488 HA ASP 67 HA ASP 67 19.193 29.830 -13.883 489 HB2 ASP 67 1HB ASP 67 19.687 32.431 -12.455 490 HB3 ASP 67 2HB ASP 67 20.328 31.883 -14.002 491 H GLU 68 H GLU 68 19.027 30.912 -10.513 492 HA GLU 68 HA GLU 68 21.650 30.045 -9.836 493 HB2 GLU 68 1HB GLU 68 19.279 30.531 -8.024 494 HB3 GLU 68 2HB GLU 68 20.957 30.406 -7.516 495 HG2 GLU 68 1HG GLU 68 20.043 32.487 -9.471 496 HG3 GLU 68 2HG GLU 68 19.960 32.735 -7.728 497 H VAL 69 H VAL 69 18.446 28.703 -9.021 498 HA VAL 69 HA VAL 69 19.207 26.410 -7.730 499 HB VAL 69 HB VAL 69 16.898 26.761 -9.644 500 HG11 VAL 69 1HG1 VAL 69 17.862 24.412 -8.250 501 HG12 VAL 69 2HG1 VAL 69 16.213 24.827 -7.780 502 HG13 VAL 69 3HG1 VAL 69 16.606 24.559 -9.478 503 HG21 VAL 69 3HG2 VAL 69 16.730 26.710 -6.655 504 HG22 VAL 69 1HG2 VAL 69 17.159 28.195 -7.505 505 HG23 VAL 69 2HG2 VAL 69 15.612 27.412 -7.825 506 H TYR 70 H TYR 70 18.521 26.637 -11.226 507 HA TYR 70 HA TYR 70 19.056 24.174 -12.123 508 HB2 TYR 70 1HB TYR 70 20.085 26.754 -13.318 509 HB3 TYR 70 2HB TYR 70 20.078 25.211 -14.165 510 HD1 TYR 70 1HD TYR 70 17.438 24.143 -13.298 511 HD2 TYR 70 2HD TYR 70 18.575 28.046 -14.554 512 HE1 TYR 70 1HE TYR 70 15.135 24.565 -14.053 513 HE2 TYR 70 2HE TYR 70 16.275 28.479 -15.311 514 HH TYR 70 HH TYR 70 14.029 27.685 -14.922 515 H LYS 71 H LYS 71 21.662 26.586 -11.755 516 HA LYS 71 HA LYS 71 23.811 24.914 -12.235 517 HB2 LYS 71 1HB LYS 71 23.437 27.452 -10.725 518 HB3 LYS 71 2HB LYS 71 24.941 26.574 -10.475 519 HG2 LYS 71 1HG LYS 71 25.534 27.960 -12.191 520 HG3 LYS 71 2HG LYS 71 25.000 26.540 -13.093 521 HD2 LYS 71 1HD LYS 71 22.942 27.537 -13.650 522 HD3 LYS 71 2HD LYS 71 23.135 28.803 -12.435 523 HE2 LYS 71 1HE LYS 71 24.807 29.893 -13.697 524 HE3 LYS 71 2HE LYS 71 25.009 28.507 -14.767 525 HZ1 LYS 71 3HZ LYS 71 23.125 29.012 -15.930 526 HZ2 LYS 71 1HZ LYS 71 23.630 30.572 -15.512 527 HZ3 LYS 71 2HZ LYS 71 22.390 29.822 -14.640 528 H LYS 72 H LYS 72 22.266 25.652 -9.120 529 HA LYS 72 HA LYS 72 23.911 24.185 -7.448 530 HB2 LYS 72 1HB LYS 72 20.928 24.637 -7.260 531 HB3 LYS 72 2HB LYS 72 21.917 23.997 -5.954 532 HG2 LYS 72 1HG LYS 72 23.246 26.089 -6.002 533 HG3 LYS 72 2HG LYS 72 22.125 26.726 -7.207 534 HD2 LYS 72 1HD LYS 72 21.380 27.575 -5.136 535 HD3 LYS 72 2HD LYS 72 20.279 26.252 -5.529 536 HE2 LYS 72 1HE LYS 72 20.729 25.730 -3.356 537 HE3 LYS 72 2HE LYS 72 22.044 24.855 -4.139 538 HZ1 LYS 72 3HZ LYS 72 22.173 27.471 -2.756 539 HZ2 LYS 72 1HZ LYS 72 23.413 26.913 -3.762 540 HZ3 LYS 72 2HZ LYS 72 23.000 26.047 -2.369 541 H TRP 73 H TRP 73 20.918 23.085 -9.041 542 HA TRP 73 HA TRP 73 20.861 20.482 -8.152 543 HB2 TRP 73 1HB TRP 73 19.945 21.805 -10.674 544 HB3 TRP 73 2HB TRP 73 19.865 20.049 -10.554 545 HD1 TRP 73 HD TRP 73 19.030 20.072 -7.381 546 HE1 TRP 73 1HE TRP 73 16.592 20.659 -6.798 547 HE3 TRP 73 3HE TRP 73 17.729 22.503 -11.686 548 HZ2 TRP 73 2HZ TRP 73 14.407 21.977 -8.004 549 HZ3 TRP 73 3HZ TRP 73 15.446 23.397 -11.892 550 HH2 TRP 73 HH TRP 73 13.821 23.138 -10.088 551 H ALA 74 H ALA 74 22.081 21.350 -11.389 552 HA ALA 74 HA ALA 74 23.273 19.068 -12.153 553 HB1 ALA 74 1HB ALA 74 23.353 20.936 -13.607 554 HB2 ALA 74 2HB ALA 74 24.319 21.871 -12.465 555 HB3 ALA 74 3HB ALA 74 25.026 20.480 -13.286 556 H ASP 75 H ASP 75 24.404 21.188 -9.623 557 HA ASP 75 HA ASP 75 26.984 19.966 -9.366 558 HB2 ASP 75 1HB ASP 75 26.325 22.331 -8.645 559 HB3 ASP 75 2HB ASP 75 25.577 21.576 -7.241 560 H LYS 76 H LYS 76 23.956 19.805 -7.509 561 HA LYS 76 HA LYS 76 24.733 18.073 -5.507 562 HB2 LYS 76 1HB LYS 76 22.140 18.639 -6.868 563 HB3 LYS 76 2HB LYS 76 22.226 17.246 -5.798 564 HG2 LYS 76 1HG LYS 76 21.438 19.019 -4.478 565 HG3 LYS 76 2HG LYS 76 23.137 18.820 -4.039 566 HD2 LYS 76 1HD LYS 76 23.773 20.709 -5.350 567 HD3 LYS 76 2HD LYS 76 22.167 20.821 -6.074 568 HE2 LYS 76 1HE LYS 76 22.382 22.524 -4.393 569 HE3 LYS 76 2HE LYS 76 21.242 21.305 -3.825 570 HZ1 LYS 76 3HZ LYS 76 24.082 21.106 -3.080 571 HZ2 LYS 76 1HZ LYS 76 22.719 20.522 -2.266 572 HZ3 LYS 76 2HZ LYS 76 23.072 22.176 -2.245 573 H GLY 77 H GLY 77 23.642 17.305 -8.788 574 HA2 GLY 77 1HA GLY 77 24.761 15.406 -9.875 575 HA3 GLY 77 2HA GLY 77 24.616 14.550 -8.348 576 H TYR 78 H TYR 78 22.221 16.473 -10.129 577 HA TYR 78 HA TYR 78 20.406 14.175 -10.001 578 HB2 TYR 78 1HB TYR 78 19.886 17.109 -10.506 579 HB3 TYR 78 2HB TYR 78 18.643 15.865 -10.567 580 HD1 TYR 78 1HD TYR 78 18.740 14.269 -8.353 581 HD2 TYR 78 2HD TYR 78 19.949 18.343 -8.568 582 HE1 TYR 78 1HE TYR 78 18.389 14.495 -5.929 583 HE2 TYR 78 2HE TYR 78 19.601 18.580 -6.145 584 HH TYR 78 HH TYR 78 18.020 16.154 -4.269 585 H THR 79 H THR 79 18.878 13.966 -11.897 586 HA THR 79 HA THR 79 20.114 14.669 -14.456 587 HB THR 79 HB THR 79 19.784 12.373 -15.319 588 HG1 THR 79 1HG THR 79 19.248 10.726 -13.918 589 HG21 THR 79 3HG2 THR 79 21.623 11.306 -13.837 590 HG22 THR 79 1HG2 THR 79 21.643 12.868 -13.019 591 HG23 THR 79 2HG2 THR 79 22.004 12.770 -14.743 592 H LEU 80 H LEU 80 18.621 14.003 -16.313 593 HA LEU 80 HA LEU 80 16.161 15.281 -16.029 594 HB2 LEU 80 1HB LEU 80 16.901 13.215 -18.094 595 HB3 LEU 80 2HB LEU 80 15.622 14.420 -18.228 596 HG LEU 80 HG LEU 80 18.557 15.085 -18.040 597 HD11 LEU 80 1HD1 LEU 80 18.745 14.487 -20.166 598 HD12 LEU 80 2HD1 LEU 80 17.556 15.723 -20.576 599 HD13 LEU 80 3HD1 LEU 80 17.033 14.071 -20.249 600 HD21 LEU 80 3HD2 LEU 80 17.733 17.271 -18.947 601 HD22 LEU 80 1HD2 LEU 80 17.216 16.909 -17.300 602 HD23 LEU 80 2HD2 LEU 80 16.090 16.705 -18.643 603 H THR 81 H THR 81 16.823 11.790 -16.304 604 HA THR 81 HA THR 81 14.251 10.828 -16.063 605 HB THR 81 HB THR 81 16.759 9.591 -14.911 606 HG1 THR 81 1HG THR 81 16.387 10.119 -17.336 607 HG21 THR 81 3HG2 THR 81 14.566 8.670 -14.068 608 HG22 THR 81 1HG2 THR 81 15.604 7.509 -14.895 609 HG23 THR 81 2HG2 THR 81 14.213 8.201 -15.731 610 H GLN 82 H GLN 82 16.577 11.118 -13.368 611 HA GLN 82 HA GLN 82 14.720 10.589 -11.338 612 HB2 GLN 82 1HB GLN 82 17.291 12.173 -11.223 613 HB3 GLN 82 2HB GLN 82 16.398 11.608 -9.818 614 HG2 GLN 82 1HG GLN 82 16.807 9.326 -10.389 615 HG3 GLN 82 2HG GLN 82 17.514 9.790 -11.936 616 HE21 GLN 82 1HE2 GLN 82 18.427 8.445 -9.295 617 HE22 GLN 82 2HE2 GLN 82 19.958 9.188 -8.999 618 H MET 83 H MET 83 16.156 13.749 -12.176 619 HA MET 83 HA MET 83 14.698 15.410 -10.613 620 HB2 MET 83 1HB MET 83 16.423 16.256 -12.078 621 HB3 MET 83 2HB MET 83 15.477 15.839 -13.500 622 HG2 MET 83 1HG MET 83 15.258 18.161 -13.226 623 HG3 MET 83 2HG MET 83 13.737 17.459 -12.678 624 HE1 MET 83 3HE MET 83 17.072 17.573 -10.092 625 HE2 MET 83 1HE MET 83 17.216 18.316 -11.685 626 HE3 MET 83 2HE MET 83 17.075 19.330 -10.249 627 H SER 84 H SER 84 13.705 14.520 -13.925 628 HA SER 84 HA SER 84 11.191 15.703 -13.864 629 HB2 SER 84 1HB SER 84 12.427 14.688 -15.863 630 HB3 SER 84 2HB SER 84 11.773 13.136 -15.341 631 HG SER 84 HG SER 84 10.423 14.138 -16.882 632 H ASN 85 H ASN 85 12.273 12.622 -12.610 633 HA ASN 85 HA ASN 85 9.668 11.550 -12.151 634 HB2 ASN 85 1HB ASN 85 12.456 10.803 -11.404 635 HB3 ASN 85 2HB ASN 85 11.140 10.105 -10.465 636 HD21 ASN 85 1HD2 ASN 85 12.357 8.217 -11.550 637 HD22 ASN 85 2HD2 ASN 85 11.671 7.658 -13.034 638 H PHE 86 H PHE 86 11.791 13.667 -10.409 639 HA PHE 86 HA PHE 86 10.384 13.361 -7.899 640 HB2 PHE 86 1HB PHE 86 12.531 15.322 -8.734 641 HB3 PHE 86 2HB PHE 86 11.910 15.134 -7.098 642 HD1 PHE 86 1HD PHE 86 11.712 12.152 -7.008 643 HD2 PHE 86 2HD PHE 86 14.774 14.725 -8.464 644 HE1 PHE 86 1HE PHE 86 13.386 10.400 -6.575 645 HE2 PHE 86 2HE PHE 86 16.452 12.978 -8.034 646 HZ PHE 86 HZ PHE 86 15.759 10.812 -7.089 647 H LEU 87 H LEU 87 10.800 15.916 -10.338 648 HA LEU 87 HA LEU 87 9.028 17.750 -9.115 649 HB2 LEU 87 1HB LEU 87 9.867 17.522 -12.002 650 HB3 LEU 87 2HB LEU 87 9.069 18.915 -11.275 651 HG LEU 87 HG LEU 87 11.816 17.905 -10.541 652 HD11 LEU 87 1HD1 LEU 87 10.975 20.282 -12.193 653 HD12 LEU 87 2HD1 LEU 87 11.786 18.832 -12.786 654 HD13 LEU 87 3HD1 LEU 87 12.622 19.918 -11.677 655 HD21 LEU 87 3HD2 LEU 87 10.571 19.031 -8.716 656 HD22 LEU 87 1HD2 LEU 87 10.409 20.451 -9.750 657 HD23 LEU 87 2HD2 LEU 87 12.008 19.915 -9.234 658 H LYS 88 H LYS 88 8.570 15.075 -11.299 659 HA LYS 88 HA LYS 88 6.036 15.700 -12.310 660 HB2 LYS 88 1HB LYS 88 7.612 13.202 -11.941 661 HB3 LYS 88 2HB LYS 88 5.891 13.034 -12.262 662 HG2 LYS 88 1HG LYS 88 6.068 14.063 -14.360 663 HG3 LYS 88 2HG LYS 88 7.667 14.717 -13.997 664 HD2 LYS 88 1HD LYS 88 8.146 12.924 -15.393 665 HD3 LYS 88 2HD LYS 88 8.372 12.237 -13.784 666 HE2 LYS 88 1HE LYS 88 5.749 12.044 -15.230 667 HE3 LYS 88 2HE LYS 88 7.040 10.874 -15.500 668 HZ1 LYS 88 3HZ LYS 88 6.753 11.144 -12.752 669 HZ2 LYS 88 1HZ LYS 88 6.347 9.807 -13.706 670 HZ3 LYS 88 2HZ LYS 88 5.189 10.995 -13.379 671 H SER 89 H SER 89 4.216 16.057 -11.241 672 HA SER 89 HA SER 89 3.819 14.751 -8.637 673 HB2 SER 89 1HB SER 89 3.745 17.346 -8.993 674 HB3 SER 89 2HB SER 89 2.126 17.027 -9.615 675 HG SER 89 HG SER 89 3.153 16.588 -7.027 676 H LYS 90 H LYS 90 3.352 13.455 -11.208 677 HA LYS 90 HA LYS 90 1.812 12.145 -12.251 678 HB2 LYS 90 1HB LYS 90 0.698 12.373 -9.474 679 HB3 LYS 90 2HB LYS 90 -0.193 11.501 -10.714 680 HG2 LYS 90 1HG LYS 90 1.994 10.201 -11.077 681 HG3 LYS 90 2HG LYS 90 2.470 10.859 -9.510 682 HD2 LYS 90 1HD LYS 90 0.368 9.917 -8.555 683 HD3 LYS 90 2HD LYS 90 0.062 9.144 -10.111 684 HE2 LYS 90 1HE LYS 90 1.929 7.739 -9.902 685 HE3 LYS 90 2HE LYS 90 2.629 8.718 -8.615 686 HZ1 LYS 90 3HZ LYS 90 1.639 7.401 -7.158 687 HZ2 LYS 90 1HZ LYS 90 0.902 6.512 -8.395 688 HZ3 LYS 90 2HZ LYS 90 0.124 7.868 -7.749 689 H THR 91 H THR 91 1.621 14.887 -12.798 690 HA THR 91 HA THR 91 -1.265 15.126 -13.329 691 HB THR 91 HB THR 91 0.613 17.255 -12.331 692 HG1 THR 91 1HG THR 91 -0.572 16.922 -10.619 693 HG21 THR 91 3HG2 THR 91 -0.284 18.568 -13.955 694 HG22 THR 91 1HG2 THR 91 -1.616 18.668 -12.805 695 HG23 THR 91 2HG2 THR 91 -1.701 17.538 -14.158 696 H ALA 92 H ALA 92 -1.844 15.890 -15.333 697 HA ALA 92 HA ALA 92 -0.510 15.333 -17.569 698 HB1 ALA 92 1HB ALA 92 -2.684 17.060 -16.925 699 HB2 ALA 92 2HB ALA 92 -1.683 17.836 -18.152 700 HB3 ALA 92 3HB ALA 92 -2.342 16.226 -18.441 701 H GLY 93 H GLY 93 -0.179 18.443 -15.865 702 HA2 GLY 93 1HA GLY 93 2.519 18.690 -16.968 703 HA3 GLY 93 2HA GLY 93 1.383 19.984 -17.320 704 H LYS 94 H LYS 94 3.638 18.766 -15.114 705 HA LYS 94 HA LYS 94 2.983 20.931 -13.243 706 HB2 LYS 94 1HB LYS 94 2.317 18.465 -12.544 707 HB3 LYS 94 2HB LYS 94 4.025 18.360 -12.138 708 HG2 LYS 94 1HG LYS 94 3.206 19.057 -10.139 709 HG3 LYS 94 2HG LYS 94 3.501 20.628 -10.888 710 HD2 LYS 94 1HD LYS 94 1.041 20.318 -11.755 711 HD3 LYS 94 2HD LYS 94 0.923 19.212 -10.385 712 HE2 LYS 94 1HE LYS 94 1.564 20.966 -8.859 713 HE3 LYS 94 2HE LYS 94 1.859 22.073 -10.199 714 HZ1 LYS 94 3HZ LYS 94 -0.748 21.107 -10.444 715 HZ2 LYS 94 1HZ LYS 94 -0.249 22.685 -10.093 716 HZ3 LYS 94 2HZ LYS 94 -0.543 21.593 -8.836 717 H TYR 95 H TYR 95 4.689 22.139 -12.686 718 HA TYR 95 HA TYR 95 6.822 22.907 -12.511 719 HB2 TYR 95 1HB TYR 95 7.521 19.964 -12.485 720 HB3 TYR 95 2HB TYR 95 8.621 21.272 -12.065 721 HD1 TYR 95 2HD TYR 95 5.326 19.819 -11.092 722 HD2 TYR 95 1HD TYR 95 8.789 21.958 -9.853 723 HE1 TYR 95 2HE TYR 95 4.548 19.717 -8.761 724 HE2 TYR 95 1HE TYR 95 8.022 21.861 -7.518 725 HH TYR 95 HH TYR 95 4.932 21.118 -6.629 726 H ASP 96 H ASP 96 5.559 22.290 -15.131 727 HA ASP 96 HA ASP 96 7.409 21.309 -16.981 728 HB2 ASP 96 1HB ASP 96 5.024 23.099 -17.144 729 HB3 ASP 96 2HB ASP 96 6.082 22.982 -18.547 730 H ARG 97 H ARG 97 6.677 24.716 -16.207 731 HA ARG 97 HA ARG 97 8.650 25.894 -17.753 732 HB2 ARG 97 1HB ARG 97 6.946 27.247 -16.745 733 HB3 ARG 97 2HB ARG 97 7.448 26.773 -15.128 734 HG2 ARG 97 1HG ARG 97 8.192 29.013 -15.582 735 HG3 ARG 97 2HG ARG 97 9.589 27.940 -15.480 736 HD2 ARG 97 1HD ARG 97 10.114 29.131 -17.366 737 HD3 ARG 97 2HD ARG 97 9.247 27.769 -18.076 738 HE ARG 97 HE ARG 97 8.355 30.525 -17.929 739 HH11 ARG 97 2HH1 ARG 97 7.527 27.201 -18.552 740 HH12 ARG 97 1HH1 ARG 97 6.113 27.590 -19.474 741 HH21 ARG 97 2HH2 ARG 97 6.496 31.050 -19.141 742 HH22 ARG 97 1HH2 ARG 97 5.528 29.780 -19.810 743 H VAL 98 H VAL 98 8.951 24.099 -14.835 744 HA VAL 98 HA VAL 98 11.564 25.143 -14.158 745 HB VAL 98 HB VAL 98 10.118 22.743 -13.028 746 HG11 VAL 98 1HG1 VAL 98 12.686 23.033 -12.778 747 HG12 VAL 98 2HG1 VAL 98 12.254 24.299 -11.628 748 HG13 VAL 98 3HG1 VAL 98 11.717 22.641 -11.359 749 HG21 VAL 98 3HG2 VAL 98 10.230 24.945 -11.227 750 HG22 VAL 98 1HG2 VAL 98 9.552 25.504 -12.756 751 HG23 VAL 98 2HG2 VAL 98 8.812 24.147 -11.907 752 H TYR 99 H TYR 99 10.402 21.844 -14.872 753 HA TYR 99 HA TYR 99 12.788 20.588 -15.266 754 HB2 TYR 99 1HB TYR 99 10.600 19.455 -15.343 755 HB3 TYR 99 2HB TYR 99 10.288 20.172 -16.920 756 HD1 TYR 99 1HD TYR 99 12.735 17.982 -15.153 757 HD2 TYR 99 2HD TYR 99 10.889 19.016 -18.844 758 HE1 TYR 99 1HE TYR 99 13.838 16.067 -16.234 759 HE2 TYR 99 2HE TYR 99 11.986 17.104 -19.935 760 HH TYR 99 HH TYR 99 13.258 15.304 -19.653 761 H ASN 100 H ASN 100 10.938 22.348 -17.744 762 HA ASN 100 HA ASN 100 12.419 21.957 -19.976 763 HB2 ASN 100 1HB ASN 100 10.950 24.333 -18.928 764 HB3 ASN 100 2HB ASN 100 11.956 24.547 -20.358 765 HD21 ASN 100 1HD2 ASN 100 9.559 22.270 -19.067 766 HD22 ASN 100 2HD2 ASN 100 8.713 22.053 -20.557 767 H GLY 101 H GLY 101 13.029 24.775 -17.866 768 HA2 GLY 101 1HA GLY 101 15.377 25.663 -18.905 769 HA3 GLY 101 2HA GLY 101 15.025 25.714 -17.184 770 H TYR 102 H TYR 102 15.142 23.166 -16.373 771 HA TYR 102 HA TYR 102 17.855 22.656 -16.092 772 HB2 TYR 102 1HB TYR 102 15.930 21.764 -14.683 773 HB3 TYR 102 2HB TYR 102 15.726 20.524 -15.915 774 HD1 TYR 102 1HD TYR 102 18.850 21.970 -14.484 775 HD2 TYR 102 2HD TYR 102 16.378 18.533 -14.905 776 HE1 TYR 102 1HE TYR 102 20.574 20.603 -13.386 777 HE2 TYR 102 2HE TYR 102 18.095 17.156 -13.806 778 HH TYR 102 HH TYR 102 20.518 18.325 -12.010 779 H VAL 103 H VAL 103 15.515 21.012 -18.214 780 HA VAL 103 HA VAL 103 17.051 19.109 -19.392 781 HB VAL 103 HB VAL 103 15.020 20.917 -20.696 782 HG11 VAL 103 1HG1 VAL 103 16.622 18.669 -21.827 783 HG12 VAL 103 2HG1 VAL 103 14.953 18.895 -22.356 784 HG13 VAL 103 3HG1 VAL 103 16.132 20.189 -22.574 785 HG21 VAL 103 3HG2 VAL 103 14.816 18.762 -18.892 786 HG22 VAL 103 1HG2 VAL 103 13.513 19.593 -19.743 787 HG23 VAL 103 2HG2 VAL 103 14.265 18.167 -20.458 788 H ILE 104 H ILE 104 16.688 22.379 -20.781 789 HA ILE 104 HA ILE 104 18.684 22.150 -22.703 790 HB ILE 104 HB ILE 104 17.705 24.609 -21.253 791 HG12 ILE 104 1HG1 ILE 104 16.732 24.840 -23.731 792 HG13 ILE 104 2HG1 ILE 104 16.857 23.086 -23.667 793 HG21 ILE 104 1HG2 ILE 104 19.805 25.234 -22.095 794 HG22 ILE 104 2HG2 ILE 104 19.575 24.317 -23.583 795 HG23 ILE 104 3HG2 ILE 104 18.647 25.790 -23.303 796 HD11 ILE 104 3HD1 ILE 104 15.151 22.889 -22.222 797 HD12 ILE 104 1HD1 ILE 104 15.582 24.355 -21.342 798 HD13 ILE 104 2HD1 ILE 104 14.702 24.468 -22.867 799 H HIS 105 H HIS 105 18.893 23.108 -19.319 800 HA HIS 105 HA HIS 105 21.537 24.046 -19.324 801 HB2 HIS 105 1HB HIS 105 20.078 24.474 -17.442 802 HB3 HIS 105 2HB HIS 105 19.924 22.749 -17.118 803 HD1 HIS 105 1HD HIS 105 22.128 25.667 -16.530 804 HD2 HIS 105 2HD HIS 105 22.213 21.558 -15.924 805 HE1 HIS 105 1HE HIS 105 24.041 25.260 -14.950 806 HE2 HIS 105 2HE HIS 105 24.127 22.759 -14.665 807 H LEU 106 H LEU 106 20.206 20.802 -18.979 808 HA LEU 106 HA LEU 106 22.716 19.577 -18.355 809 HB2 LEU 106 1HB LEU 106 19.960 18.655 -18.946 810 HB3 LEU 106 2HB LEU 106 21.270 17.500 -19.186 811 HG LEU 106 HG LEU 106 20.206 17.257 -16.991 812 HD11 LEU 106 1HD1 LEU 106 22.817 18.327 -16.193 813 HD12 LEU 106 2HD1 LEU 106 22.859 17.209 -17.555 814 HD13 LEU 106 3HD1 LEU 106 22.151 16.703 -16.022 815 HD21 LEU 106 3HD2 LEU 106 20.480 20.126 -16.977 816 HD22 LEU 106 1HD2 LEU 106 21.217 19.414 -15.542 817 HD23 LEU 106 2HD2 LEU 106 19.527 19.082 -15.921 818 H ASP 107 H ASP 107 20.831 20.096 -21.281 819 HA ASP 107 HA ASP 107 22.203 18.425 -23.033 820 HB2 ASP 107 1HB ASP 107 20.956 21.122 -23.605 821 HB3 ASP 107 2HB ASP 107 21.402 19.930 -24.822 822 H TYR 108 H TYR 108 23.251 21.277 -21.468 823 HA TYR 108 HA TYR 108 24.975 22.578 -23.048 824 HB2 TYR 108 1HB TYR 108 26.129 23.235 -21.162 825 HB3 TYR 108 2HB TYR 108 24.649 22.618 -20.435 826 HD1 TYR 108 1HD TYR 108 24.647 20.415 -19.311 827 HD2 TYR 108 2HD TYR 108 28.233 22.158 -20.795 828 HE1 TYR 108 1HE TYR 108 25.965 18.860 -17.936 829 HE2 TYR 108 2HE TYR 108 29.561 20.606 -19.425 830 HH TYR 108 HH TYR 108 28.123 18.603 -17.003 Start of MODEL 10 1 H1 GLY 1 H GLY 1 66.299 -26.727 33.922 2 HA2 GLY 1 1HA GLY 1 67.277 -29.017 33.134 3 HA3 GLY 1 2HA GLY 1 67.955 -29.001 34.755 4 H SER 2 H SER 2 65.077 -29.365 32.847 5 HA SER 2 HA SER 2 63.809 -30.981 34.780 6 HB2 SER 2 1HB SER 2 61.846 -29.460 35.228 7 HB3 SER 2 2HB SER 2 63.352 -28.967 36.003 8 HG SER 2 HG SER 2 61.845 -27.543 34.390 9 H SER 3 H SER 3 61.721 -31.766 34.069 10 HA SER 3 HA SER 3 60.539 -30.976 31.626 11 HB2 SER 3 1HB SER 3 61.210 -32.737 30.148 12 HB3 SER 3 2HB SER 3 62.688 -32.025 30.797 13 HG SER 3 HG SER 3 63.106 -33.820 31.848 14 H GLY 4 H GLY 4 58.906 -32.637 30.864 15 HA2 GLY 4 1HA GLY 4 58.072 -34.891 32.094 16 HA3 GLY 4 2HA GLY 4 57.518 -33.639 33.196 17 H SER 5 H SER 5 55.572 -32.800 32.842 18 HA SER 5 HA SER 5 53.610 -32.235 31.832 19 HB2 SER 5 1HB SER 5 55.138 -31.130 30.170 20 HB3 SER 5 2HB SER 5 55.062 -32.603 29.203 21 HG SER 5 HG SER 5 53.201 -30.607 29.525 22 H SER 6 H SER 6 54.010 -34.883 32.604 23 HA SER 6 HA SER 6 53.091 -36.621 30.485 24 HB2 SER 6 1HB SER 6 54.655 -37.223 32.481 25 HB3 SER 6 2HB SER 6 53.152 -37.392 33.388 26 HG SER 6 HG SER 6 53.218 -38.647 30.923 27 H GLY 7 H GLY 7 51.089 -37.669 30.394 28 HA2 GLY 7 1HA GLY 7 49.019 -36.965 32.302 29 HA3 GLY 7 2HA GLY 7 48.802 -36.299 30.690 30 H ASN 8 H ASN 8 46.777 -37.689 31.126 31 HA ASN 8 HA ASN 8 47.139 -40.154 29.637 32 HB2 ASN 8 1HB ASN 8 47.342 -40.660 32.146 33 HB3 ASN 8 2HB ASN 8 45.625 -40.279 32.240 34 HD21 ASN 8 1HD2 ASN 8 47.786 -42.157 30.137 35 HD22 ASN 8 2HD2 ASN 8 46.780 -43.561 30.076 36 H VAL 9 H VAL 9 44.832 -41.235 29.429 37 HA VAL 9 HA VAL 9 42.656 -39.327 29.390 38 HB VAL 9 HB VAL 9 42.194 -39.545 26.999 39 HG11 VAL 9 1HG1 VAL 9 44.993 -38.553 27.532 40 HG12 VAL 9 2HG1 VAL 9 43.973 -38.107 26.163 41 HG13 VAL 9 3HG1 VAL 9 43.509 -37.638 27.799 42 HG21 VAL 9 3HG2 VAL 9 44.904 -40.718 26.546 43 HG22 VAL 9 1HG2 VAL 9 43.541 -41.773 26.921 44 HG23 VAL 9 2HG2 VAL 9 43.485 -40.733 25.498 45 H ASP 10 H ASP 10 40.678 -40.407 28.282 46 HA ASP 10 HA ASP 10 40.665 -43.304 28.500 47 HB2 ASP 10 1HB ASP 10 40.179 -42.223 30.802 48 HB3 ASP 10 2HB ASP 10 38.628 -41.775 30.098 49 H SER 11 H SER 11 38.227 -44.042 28.169 50 HA SER 11 HA SER 11 36.782 -42.299 26.351 51 HB2 SER 11 1HB SER 11 37.886 -44.971 25.450 52 HB3 SER 11 2HB SER 11 36.743 -43.986 24.537 53 HG SER 11 HG SER 11 38.499 -42.294 24.846 54 H ASN 12 H ASN 12 34.837 -43.680 25.411 55 HA ASN 12 HA ASN 12 33.855 -45.679 27.259 56 HB2 ASN 12 1HB ASN 12 31.995 -44.502 28.088 57 HB3 ASN 12 2HB ASN 12 33.323 -43.353 28.221 58 HD21 ASN 12 1HD2 ASN 12 30.959 -42.260 28.318 59 HD22 ASN 12 2HD2 ASN 12 30.527 -41.486 26.835 60 H GLN 13 H GLN 13 31.415 -46.137 26.612 61 HA GLN 13 HA GLN 13 31.159 -45.975 23.689 62 HB2 GLN 13 1HB GLN 13 31.034 -48.433 25.417 63 HB3 GLN 13 2HB GLN 13 30.212 -48.370 23.863 64 HG2 GLN 13 1HG GLN 13 32.584 -47.580 23.031 65 HG3 GLN 13 2HG GLN 13 33.114 -48.439 24.476 66 HE21 GLN 13 1HE2 GLN 13 34.157 -49.592 22.527 67 HE22 GLN 13 2HE2 GLN 13 33.301 -50.974 21.943 68 H ASN 14 H ASN 14 28.885 -46.854 23.045 69 HA ASN 14 HA ASN 14 26.768 -46.616 24.919 70 HB2 ASN 14 1HB ASN 14 25.864 -44.508 24.428 71 HB3 ASN 14 2HB ASN 14 27.591 -44.194 24.565 72 HD21 ASN 14 1HD2 ASN 14 28.715 -43.501 22.816 73 HD22 ASN 14 2HD2 ASN 14 27.989 -43.129 21.293 74 H LYS 15 H LYS 15 24.596 -46.388 23.694 75 HA LYS 15 HA LYS 15 24.651 -47.285 20.946 76 HB2 LYS 15 1HB LYS 15 23.578 -49.385 21.277 77 HB3 LYS 15 2HB LYS 15 24.974 -49.356 22.346 78 HG2 LYS 15 1HG LYS 15 22.333 -48.489 23.409 79 HG3 LYS 15 2HG LYS 15 22.649 -50.212 23.186 80 HD2 LYS 15 1HD LYS 15 24.737 -49.919 24.531 81 HD3 LYS 15 2HD LYS 15 24.222 -48.265 24.869 82 HE2 LYS 15 1HE LYS 15 23.529 -49.542 26.725 83 HE3 LYS 15 2HE LYS 15 22.075 -49.267 25.767 84 HZ1 LYS 15 3HZ LYS 15 21.987 -51.446 25.108 85 HZ2 LYS 15 1HZ LYS 15 22.619 -51.626 26.666 86 HZ3 LYS 15 2HZ LYS 15 23.643 -51.711 25.323 87 H ALA 16 H ALA 16 22.254 -47.874 20.302 88 HA ALA 16 HA ALA 16 20.327 -46.217 21.740 89 HB1 ALA 16 1HB ALA 16 19.693 -45.422 19.263 90 HB2 ALA 16 2HB ALA 16 20.795 -44.527 20.311 91 HB3 ALA 16 3HB ALA 16 21.437 -45.605 19.072 92 H SER 17 H SER 17 18.229 -46.894 21.544 93 HA SER 17 HA SER 17 17.850 -49.453 20.173 94 HB2 SER 17 1HB SER 17 17.281 -49.157 22.631 95 HB3 SER 17 2HB SER 17 15.947 -48.128 22.111 96 HG SER 17 HG SER 17 16.293 -50.886 21.829 97 H MET 18 H MET 18 17.592 -48.701 18.051 98 HA MET 18 HA MET 18 15.756 -46.673 17.317 99 HB2 MET 18 1HB MET 18 16.114 -47.410 15.040 100 HB3 MET 18 2HB MET 18 17.650 -47.400 15.896 101 HG2 MET 18 1HG MET 18 17.600 -49.784 16.134 102 HG3 MET 18 2HG MET 18 15.972 -49.857 15.463 103 HE1 MET 18 3HE MET 18 17.562 -51.522 12.507 104 HE2 MET 18 1HE MET 18 18.415 -51.729 14.038 105 HE3 MET 18 2HE MET 18 16.652 -51.671 14.012 106 H LEU 19 H LEU 19 13.743 -46.894 16.213 107 HA LEU 19 HA LEU 19 12.397 -49.450 16.226 108 HB2 LEU 19 1HB LEU 19 11.874 -47.353 18.245 109 HB3 LEU 19 2HB LEU 19 10.462 -48.116 17.517 110 HG LEU 19 HG LEU 19 12.674 -49.572 18.965 111 HD11 LEU 19 1HD1 LEU 19 9.989 -48.567 19.829 112 HD12 LEU 19 2HD1 LEU 19 11.546 -48.433 20.645 113 HD13 LEU 19 3HD1 LEU 19 10.714 -49.986 20.585 114 HD21 LEU 19 3HD2 LEU 19 10.684 -50.471 17.146 115 HD22 LEU 19 1HD2 LEU 19 10.267 -51.054 18.758 116 HD23 LEU 19 2HD2 LEU 19 11.848 -51.423 18.068 117 H GLN 20 H GLN 20 9.858 -48.818 15.792 118 HA GLN 20 HA GLN 20 9.525 -48.192 13.228 119 HB2 GLN 20 1HB GLN 20 7.734 -47.222 15.461 120 HB3 GLN 20 2HB GLN 20 7.274 -47.289 13.765 121 HG2 GLN 20 1HG GLN 20 7.307 -49.634 13.735 122 HG3 GLN 20 2HG GLN 20 8.187 -49.722 15.260 123 HE21 GLN 20 1HE2 GLN 20 6.582 -51.126 16.064 124 HE22 GLN 20 2HE2 GLN 20 5.054 -50.523 16.600 125 H ALA 21 H ALA 21 10.262 -46.617 11.980 126 HA ALA 21 HA ALA 21 10.568 -43.923 13.117 127 HB1 ALA 21 1HB ALA 21 12.535 -45.206 12.069 128 HB2 ALA 21 2HB ALA 21 11.777 -44.817 10.524 129 HB3 ALA 21 3HB ALA 21 12.293 -43.522 11.604 130 H ARG 22 H ARG 22 8.944 -42.592 12.677 131 HA ARG 22 HA ARG 22 7.928 -42.457 9.938 132 HB2 ARG 22 1HB ARG 22 6.246 -42.863 12.406 133 HB3 ARG 22 2HB ARG 22 5.587 -42.187 10.922 134 HG2 ARG 22 1HG ARG 22 7.061 -44.762 10.765 135 HG3 ARG 22 2HG ARG 22 5.436 -44.757 11.452 136 HD2 ARG 22 1HD ARG 22 6.054 -43.466 8.811 137 HD3 ARG 22 2HD ARG 22 5.662 -45.180 8.941 138 HE ARG 22 HE ARG 22 3.717 -43.574 10.249 139 HH11 ARG 22 2HH1 ARG 22 4.786 -44.635 7.110 140 HH12 ARG 22 1HH1 ARG 22 3.224 -44.471 6.378 141 HH21 ARG 22 2HH2 ARG 22 1.655 -43.354 9.297 142 HH22 ARG 22 1HH2 ARG 22 1.444 -43.741 7.623 143 H LEU 23 H LEU 23 6.989 -40.439 9.382 144 HA LEU 23 HA LEU 23 7.245 -38.284 11.346 145 HB2 LEU 23 1HB LEU 23 8.251 -36.922 9.370 146 HB3 LEU 23 2HB LEU 23 9.286 -37.944 10.364 147 HG LEU 23 HG LEU 23 9.797 -38.070 7.947 148 HD11 LEU 23 1HD1 LEU 23 8.830 -40.781 8.423 149 HD12 LEU 23 2HD1 LEU 23 9.702 -40.090 9.791 150 HD13 LEU 23 3HD1 LEU 23 10.475 -40.181 8.209 151 HD21 LEU 23 3HD2 LEU 23 7.212 -39.560 7.621 152 HD22 LEU 23 1HD2 LEU 23 8.311 -38.965 6.377 153 HD23 LEU 23 2HD2 LEU 23 7.334 -37.828 7.306 154 H ASN 24 H ASN 24 6.283 -36.217 10.504 155 HA ASN 24 HA ASN 24 4.488 -36.302 8.293 156 HB2 ASN 24 1HB ASN 24 2.387 -36.343 9.412 157 HB3 ASN 24 2HB ASN 24 3.302 -37.713 10.036 158 HD21 ASN 24 1HD2 ASN 24 4.844 -36.797 11.936 159 HD22 ASN 24 2HD2 ASN 24 3.948 -36.006 13.184 160 H ASP 25 H ASP 25 3.757 -34.282 7.741 161 HA ASP 25 HA ASP 25 4.180 -32.085 9.630 162 HB2 ASP 25 1HB ASP 25 5.203 -31.993 6.787 163 HB3 ASP 25 2HB ASP 25 5.400 -30.758 8.027 164 H GLU 26 H GLU 26 2.526 -30.707 9.641 165 HA GLU 26 HA GLU 26 0.301 -31.102 7.900 166 HB2 GLU 26 1HB GLU 26 0.932 -29.167 10.105 167 HB3 GLU 26 2HB GLU 26 -0.487 -28.929 9.096 168 HG2 GLU 26 1HG GLU 26 -1.241 -30.088 10.986 169 HG3 GLU 26 2HG GLU 26 -1.152 -31.290 9.700 170 H ALA 27 H ALA 27 2.784 -28.602 8.220 171 HA ALA 27 HA ALA 27 3.360 -26.833 6.897 172 HB1 ALA 27 1HB ALA 27 2.438 -28.319 4.489 173 HB2 ALA 27 2HB ALA 27 3.931 -27.419 4.760 174 HB3 ALA 27 3HB ALA 27 3.722 -29.018 5.476 175 H GLY 28 H GLY 28 0.715 -26.696 7.943 176 HA2 GLY 28 1HA GLY 28 -0.517 -25.028 5.851 177 HA3 GLY 28 2HA GLY 28 -1.495 -26.196 6.728 178 H GLY 29 H GLY 29 -2.006 -23.414 6.646 179 HA2 GLY 29 1HA GLY 29 -3.009 -22.395 8.673 180 HA3 GLY 29 2HA GLY 29 -1.468 -22.694 9.462 181 H THR 30 H THR 30 -2.414 -21.252 6.342 182 HA THR 30 HA THR 30 -0.400 -19.210 6.620 183 HB THR 30 HB THR 30 -2.561 -19.445 4.518 184 HG1 THR 30 1HG THR 30 -0.487 -20.234 3.371 185 HG21 THR 30 3HG2 THR 30 0.031 -17.901 4.605 186 HG22 THR 30 1HG2 THR 30 -1.600 -17.232 4.569 187 HG23 THR 30 2HG2 THR 30 -0.969 -18.096 3.166 188 H ARG 31 H ARG 31 -0.670 -17.374 7.691 189 HA ARG 31 HA ARG 31 -3.339 -16.145 7.753 190 HB2 ARG 31 1HB ARG 31 -3.144 -15.614 10.078 191 HB3 ARG 31 2HB ARG 31 -2.839 -17.337 9.900 192 HG2 ARG 31 1HG ARG 31 -0.523 -15.471 9.890 193 HG3 ARG 31 2HG ARG 31 -1.321 -15.836 11.421 194 HD2 ARG 31 1HD ARG 31 -0.675 -18.029 11.392 195 HD3 ARG 31 2HD ARG 31 -0.628 -18.104 9.631 196 HE ARG 31 HE ARG 31 1.555 -17.360 9.676 197 HH11 ARG 31 2HH1 ARG 31 0.139 -17.116 12.847 198 HH12 ARG 31 1HH1 ARG 31 1.647 -16.804 13.639 199 HH21 ARG 31 2HH2 ARG 31 3.548 -16.949 10.708 200 HH22 ARG 31 1HH2 ARG 31 3.586 -16.708 12.422 201 H LEU 32 H LEU 32 -3.285 -13.825 8.290 202 HA LEU 32 HA LEU 32 -0.940 -12.572 7.067 203 HB2 LEU 32 1HB LEU 32 -3.754 -11.639 7.557 204 HB3 LEU 32 2HB LEU 32 -2.473 -10.539 7.053 205 HG LEU 32 HG LEU 32 -3.023 -12.969 5.411 206 HD11 LEU 32 1HD1 LEU 32 -5.199 -12.315 5.359 207 HD12 LEU 32 2HD1 LEU 32 -4.558 -11.231 4.125 208 HD13 LEU 32 3HD1 LEU 32 -4.825 -10.640 5.765 209 HD21 LEU 32 3HD2 LEU 32 -2.522 -10.313 4.241 210 HD22 LEU 32 1HD2 LEU 32 -1.845 -11.887 3.824 211 HD23 LEU 32 2HD2 LEU 32 -1.206 -10.989 5.201 212 H LEU 33 H LEU 33 0.300 -12.927 9.061 213 HA LEU 33 HA LEU 33 -0.257 -10.821 11.045 214 HB2 LEU 33 1HB LEU 33 0.528 -13.663 11.390 215 HB3 LEU 33 2HB LEU 33 1.218 -12.484 12.503 216 HG LEU 33 HG LEU 33 -1.746 -12.645 12.084 217 HD11 LEU 33 1HD1 LEU 33 -1.897 -14.623 13.067 218 HD12 LEU 33 2HD1 LEU 33 -0.991 -14.017 14.453 219 HD13 LEU 33 3HD1 LEU 33 -0.138 -14.748 13.094 220 HD21 LEU 33 3HD2 LEU 33 -0.358 -12.007 14.641 221 HD22 LEU 33 1HD2 LEU 33 -1.898 -11.419 14.014 222 HD23 LEU 33 2HD2 LEU 33 -0.384 -10.797 13.358 223 H ARG 34 H ARG 34 1.265 -10.425 8.710 224 HA ARG 34 HA ARG 34 4.031 -10.366 9.701 225 HB2 ARG 34 1HB ARG 34 3.244 -11.333 7.363 226 HB3 ARG 34 2HB ARG 34 3.332 -9.642 6.892 227 HG2 ARG 34 1HG ARG 34 5.425 -10.416 6.331 228 HG3 ARG 34 2HG ARG 34 5.702 -9.733 7.935 229 HD2 ARG 34 1HD ARG 34 6.789 -11.869 7.813 230 HD3 ARG 34 2HD ARG 34 5.401 -12.004 8.892 231 HE ARG 34 HE ARG 34 4.415 -12.786 6.493 232 HH11 ARG 34 2HH1 ARG 34 7.168 -13.747 8.394 233 HH12 ARG 34 1HH1 ARG 34 7.160 -15.381 7.818 234 HH21 ARG 34 2HH2 ARG 34 4.394 -14.934 5.726 235 HH22 ARG 34 1HH2 ARG 34 5.583 -16.055 6.299 236 H VAL 35 H VAL 35 4.931 -8.502 10.289 237 HA VAL 35 HA VAL 35 3.425 -6.096 10.355 238 HB VAL 35 HB VAL 35 5.463 -5.051 11.241 239 HG11 VAL 35 1HG1 VAL 35 5.130 -5.966 13.260 240 HG12 VAL 35 2HG1 VAL 35 3.929 -6.965 12.437 241 HG13 VAL 35 3HG1 VAL 35 5.560 -7.583 12.705 242 HG21 VAL 35 3HG2 VAL 35 7.529 -5.864 10.952 243 HG22 VAL 35 1HG2 VAL 35 7.033 -7.508 11.354 244 HG23 VAL 35 2HG2 VAL 35 6.808 -6.894 9.716 245 H HIS 36 H HIS 36 3.636 -4.210 9.189 246 HA HIS 36 HA HIS 36 4.563 -4.495 6.490 247 HB2 HIS 36 1HB HIS 36 3.385 -2.165 8.008 248 HB3 HIS 36 2HB HIS 36 3.837 -2.080 6.308 249 HD1 HIS 36 1HD HIS 36 1.577 -4.192 8.526 250 HD2 HIS 36 2HD HIS 36 1.823 -2.758 4.634 251 HE1 HIS 36 1HE HIS 36 -0.564 -4.899 7.413 252 HE2 HIS 36 2HE HIS 36 -0.355 -4.094 5.035 253 H HIS 37 H HIS 37 6.818 -4.881 6.863 254 HA HIS 37 HA HIS 37 8.355 -2.555 7.781 255 HB2 HIS 37 1HB HIS 37 8.904 -4.667 8.877 256 HB3 HIS 37 2HB HIS 37 9.217 -5.418 7.316 257 HD1 HIS 37 1HD HIS 37 11.664 -5.813 7.284 258 HD2 HIS 37 2HD HIS 37 10.718 -2.019 8.688 259 HE1 HIS 37 1HE HIS 37 13.868 -4.643 7.598 260 HE2 HIS 37 2HE HIS 37 13.274 -2.380 8.529 261 H GLU 38 H GLU 38 7.141 -2.290 5.303 262 HA GLU 38 HA GLU 38 8.482 -3.070 3.044 263 HB2 GLU 38 1HB GLU 38 6.417 -1.762 2.987 264 HB3 GLU 38 2HB GLU 38 7.274 -0.355 3.601 265 HG2 GLU 38 1HG GLU 38 8.511 -0.118 1.600 266 HG3 GLU 38 2HG GLU 38 7.988 -1.695 1.011 267 H SER 39 H SER 39 9.217 -0.247 5.076 268 HA SER 39 HA SER 39 12.016 -0.451 4.477 269 HB2 SER 39 1HB SER 39 12.301 1.675 3.374 270 HB3 SER 39 2HB SER 39 11.109 0.745 2.467 271 HG SER 39 HG SER 39 10.650 3.064 3.027 272 H ASP 40 H ASP 40 13.244 0.479 6.038 273 HA ASP 40 HA ASP 40 11.866 1.504 8.358 274 HB2 ASP 40 1HB ASP 40 13.834 -0.098 8.426 275 HB3 ASP 40 2HB ASP 40 14.851 1.267 7.970 276 H THR 41 H THR 41 11.048 3.488 7.567 277 HA THR 41 HA THR 41 11.143 5.676 6.813 278 HB THR 41 HB THR 41 12.242 7.132 8.443 279 HG1 THR 41 1HG THR 41 14.066 5.441 8.628 280 HG21 THR 41 3HG2 THR 41 10.091 5.986 9.001 281 HG22 THR 41 1HG2 THR 41 11.055 6.429 10.408 282 HG23 THR 41 2HG2 THR 41 11.025 4.756 9.851 283 H GLU 42 H GLU 42 12.841 4.120 5.212 284 HA GLU 42 HA GLU 42 15.466 5.091 5.003 285 HB2 GLU 42 1HB GLU 42 14.463 3.034 3.889 286 HB3 GLU 42 2HB GLU 42 13.796 4.128 2.685 287 HG2 GLU 42 1HG GLU 42 16.292 4.935 2.517 288 HG3 GLU 42 2HG GLU 42 16.616 3.331 3.173 289 H GLU 43 H GLU 43 15.678 7.282 5.049 290 HA GLU 43 HA GLU 43 14.070 9.172 3.813 291 HB2 GLU 43 1HB GLU 43 15.787 10.742 4.213 292 HB3 GLU 43 2HB GLU 43 15.934 9.553 5.499 293 HG2 GLU 43 1HG GLU 43 17.569 9.354 2.999 294 HG3 GLU 43 2HG GLU 43 18.067 10.370 4.351 295 H ARG 44 H ARG 44 16.481 7.091 2.456 296 HA ARG 44 HA ARG 44 17.327 8.371 0.199 297 HB2 ARG 44 1HB ARG 44 16.453 5.482 0.389 298 HB3 ARG 44 2HB ARG 44 17.479 6.156 -0.870 299 HG2 ARG 44 1HG ARG 44 18.200 6.202 2.048 300 HG3 ARG 44 2HG ARG 44 18.672 4.908 0.944 301 HD2 ARG 44 1HD ARG 44 19.262 7.746 0.229 302 HD3 ARG 44 2HD ARG 44 20.284 6.916 1.402 303 HE ARG 44 HE ARG 44 20.196 6.478 -1.433 304 HH11 ARG 44 2HH1 ARG 44 20.935 5.045 1.653 305 HH12 ARG 44 1HH1 ARG 44 22.039 3.882 0.995 306 HH21 ARG 44 2HH2 ARG 44 21.648 4.953 -2.310 307 HH22 ARG 44 1HH2 ARG 44 22.444 3.832 -1.259 308 H GLY 45 H GLY 45 16.328 9.352 -1.425 309 HA2 GLY 45 1HA GLY 45 14.847 9.617 -3.198 310 HA3 GLY 45 2HA GLY 45 14.002 8.169 -2.672 311 H PHE 46 H PHE 46 13.673 9.149 0.070 312 HA PHE 46 HA PHE 46 11.195 10.494 -0.290 313 HB2 PHE 46 1HB PHE 46 11.391 9.014 1.573 314 HB3 PHE 46 2HB PHE 46 12.827 9.843 2.164 315 HD1 PHE 46 2HD PHE 46 12.590 12.182 3.058 316 HD2 PHE 46 1HD PHE 46 9.247 9.680 2.234 317 HE1 PHE 46 2HE PHE 46 11.182 13.597 4.496 318 HE2 PHE 46 1HE PHE 46 7.833 11.091 3.670 319 HZ PHE 46 HZ PHE 46 8.800 13.052 4.804 320 H LEU 47 H LEU 47 14.148 11.531 1.427 321 HA LEU 47 HA LEU 47 13.322 14.235 1.629 322 HB2 LEU 47 1HB LEU 47 15.809 12.709 2.150 323 HB3 LEU 47 2HB LEU 47 15.958 14.454 1.955 324 HG LEU 47 HG LEU 47 14.060 13.218 3.934 325 HD11 LEU 47 1HD1 LEU 47 16.251 14.222 5.325 326 HD12 LEU 47 2HD1 LEU 47 16.943 13.263 4.017 327 HD13 LEU 47 3HD1 LEU 47 15.795 12.529 5.136 328 HD21 LEU 47 3HD2 LEU 47 13.439 15.390 3.882 329 HD22 LEU 47 1HD2 LEU 47 14.988 15.932 3.235 330 HD23 LEU 47 2HD2 LEU 47 14.827 15.579 4.955 331 H GLU 48 H GLU 48 15.507 12.531 -0.581 332 HA GLU 48 HA GLU 48 16.584 14.606 -2.001 333 HB2 GLU 48 1HB GLU 48 16.964 12.108 -2.315 334 HB3 GLU 48 2HB GLU 48 15.534 12.116 -3.337 335 HG2 GLU 48 1HG GLU 48 16.555 13.402 -4.976 336 HG3 GLU 48 2HG GLU 48 17.803 13.986 -3.877 337 H LYS 49 H LYS 49 13.539 12.941 -2.824 338 HA LYS 49 HA LYS 49 12.773 14.558 -4.941 339 HB2 LYS 49 1HB LYS 49 11.700 12.394 -4.131 340 HB3 LYS 49 2HB LYS 49 10.835 13.376 -2.955 341 HG2 LYS 49 1HG LYS 49 9.587 14.459 -4.589 342 HG3 LYS 49 2HG LYS 49 10.710 14.015 -5.876 343 HD2 LYS 49 1HD LYS 49 10.002 11.729 -5.795 344 HD3 LYS 49 2HD LYS 49 9.038 12.026 -4.347 345 HE2 LYS 49 1HE LYS 49 7.866 13.799 -5.902 346 HE3 LYS 49 2HE LYS 49 8.497 12.765 -7.182 347 HZ1 LYS 49 3HZ LYS 49 7.368 11.058 -5.343 348 HZ2 LYS 49 1HZ LYS 49 6.736 11.483 -6.854 349 HZ3 LYS 49 2HZ LYS 49 6.272 12.340 -5.472 350 H ALA 50 H ALA 50 12.150 14.968 -1.478 351 HA ALA 50 HA ALA 50 10.468 17.193 -1.627 352 HB1 ALA 50 1HB ALA 50 12.289 16.108 0.475 353 HB2 ALA 50 2HB ALA 50 11.520 17.678 0.710 354 HB3 ALA 50 3HB ALA 50 10.530 16.239 0.468 355 H ALA 51 H ALA 51 13.962 17.193 -0.888 356 HA ALA 51 HA ALA 51 14.492 19.849 -0.848 357 HB1 ALA 51 1HB ALA 51 16.205 18.186 -0.454 358 HB2 ALA 51 2HB ALA 51 16.185 17.724 -2.156 359 HB3 ALA 51 3HB ALA 51 16.749 19.327 -1.684 360 H VAL 52 H VAL 52 14.503 17.863 -3.811 361 HA VAL 52 HA VAL 52 15.062 19.817 -5.667 362 HB VAL 52 HB VAL 52 13.130 17.520 -6.018 363 HG11 VAL 52 1HG1 VAL 52 14.480 19.365 -7.959 364 HG12 VAL 52 2HG1 VAL 52 13.966 17.745 -8.435 365 HG13 VAL 52 3HG1 VAL 52 12.778 18.915 -7.856 366 HG21 VAL 52 3HG2 VAL 52 15.493 17.009 -5.209 367 HG22 VAL 52 1HG2 VAL 52 14.953 16.187 -6.673 368 HG23 VAL 52 2HG2 VAL 52 16.035 17.575 -6.789 369 H LYS 53 H LYS 53 11.902 18.939 -4.319 370 HA LYS 53 HA LYS 53 10.395 20.755 -5.879 371 HB2 LYS 53 1HB LYS 53 9.918 19.117 -3.445 372 HB3 LYS 53 2HB LYS 53 8.823 20.463 -3.732 373 HG2 LYS 53 1HG LYS 53 7.943 18.391 -4.650 374 HG3 LYS 53 2HG LYS 53 8.271 19.566 -5.926 375 HD2 LYS 53 1HD LYS 53 10.607 18.314 -5.965 376 HD3 LYS 53 2HD LYS 53 9.636 16.998 -5.301 377 HE2 LYS 53 1HE LYS 53 8.873 18.510 -7.789 378 HE3 LYS 53 2HE LYS 53 9.870 17.056 -7.819 379 HZ1 LYS 53 3HZ LYS 53 7.882 16.135 -6.397 380 HZ2 LYS 53 1HZ LYS 53 7.822 16.142 -8.088 381 HZ3 LYS 53 2HZ LYS 53 7.024 17.346 -7.208 382 H LYS 54 H LYS 54 11.671 20.959 -2.567 383 HA LYS 54 HA LYS 54 10.690 23.360 -1.737 384 HB2 LYS 54 1HB LYS 54 13.465 22.233 -1.356 385 HB3 LYS 54 2HB LYS 54 12.870 23.646 -0.496 386 HG2 LYS 54 1HG LYS 54 10.909 22.023 0.153 387 HG3 LYS 54 2HG LYS 54 12.117 20.786 -0.199 388 HD2 LYS 54 1HD LYS 54 12.645 23.108 1.643 389 HD3 LYS 54 2HD LYS 54 11.985 21.570 2.206 390 HE2 LYS 54 1HE LYS 54 13.936 20.394 1.551 391 HE3 LYS 54 2HE LYS 54 14.544 21.773 0.636 392 HZ1 LYS 54 3HZ LYS 54 15.538 22.547 2.441 393 HZ2 LYS 54 1HZ LYS 54 15.103 21.134 3.263 394 HZ3 LYS 54 2HZ LYS 54 14.104 22.496 3.337 395 H MET 55 H MET 55 13.389 22.832 -3.954 396 HA MET 55 HA MET 55 13.908 25.663 -4.217 397 HB2 MET 55 1HB MET 55 15.006 23.558 -6.054 398 HB3 MET 55 2HB MET 55 15.740 25.074 -5.548 399 HG2 MET 55 1HG MET 55 15.606 23.893 -3.174 400 HG3 MET 55 2HG MET 55 15.662 22.451 -4.185 401 HE1 MET 55 3HE MET 55 17.057 23.111 -6.515 402 HE2 MET 55 1HE MET 55 18.768 23.530 -6.413 403 HE3 MET 55 2HE MET 55 18.211 21.956 -5.846 404 H ALA 56 H ALA 56 12.074 23.213 -5.855 405 HA ALA 56 HA ALA 56 11.777 24.543 -8.345 406 HB1 ALA 56 1HB ALA 56 10.096 22.931 -8.839 407 HB2 ALA 56 2HB ALA 56 11.362 22.107 -7.928 408 HB3 ALA 56 3HB ALA 56 9.858 22.566 -7.130 409 H LYS 57 H LYS 57 9.701 24.347 -5.463 410 HA LYS 57 HA LYS 57 7.557 25.849 -6.363 411 HB2 LYS 57 1HB LYS 57 8.757 25.457 -3.636 412 HB3 LYS 57 2HB LYS 57 7.369 26.513 -3.862 413 HG2 LYS 57 1HG LYS 57 6.031 24.710 -4.659 414 HG3 LYS 57 2HG LYS 57 7.427 23.631 -4.723 415 HD2 LYS 57 1HD LYS 57 6.749 24.902 -2.120 416 HD3 LYS 57 2HD LYS 57 5.724 23.586 -2.697 417 HE2 LYS 57 1HE LYS 57 7.589 22.094 -2.809 418 HE3 LYS 57 2HE LYS 57 8.725 23.404 -2.489 419 HZ1 LYS 57 3HZ LYS 57 7.663 21.742 -0.626 420 HZ2 LYS 57 1HZ LYS 57 6.718 23.135 -0.457 421 HZ3 LYS 57 2HZ LYS 57 8.400 23.231 -0.306 422 H ALA 58 H ALA 58 10.474 26.996 -4.675 423 HA ALA 58 HA ALA 58 9.878 29.695 -4.555 424 HB1 ALA 58 1HB ALA 58 12.222 28.054 -4.265 425 HB2 ALA 58 2HB ALA 58 12.621 29.567 -5.079 426 HB3 ALA 58 3HB ALA 58 11.831 29.595 -3.503 427 H ILE 59 H ILE 59 11.218 27.825 -7.230 428 HA ILE 59 HA ILE 59 11.849 30.005 -8.906 429 HB ILE 59 HB ILE 59 11.161 27.153 -9.621 430 HG12 ILE 59 1HG1 ILE 59 13.888 28.423 -9.639 431 HG13 ILE 59 2HG1 ILE 59 13.219 27.735 -8.163 432 HG21 ILE 59 1HG2 ILE 59 12.027 29.476 -11.282 433 HG22 ILE 59 2HG2 ILE 59 12.555 27.850 -11.713 434 HG23 ILE 59 3HG2 ILE 59 10.834 28.225 -11.632 435 HD11 ILE 59 3HD1 ILE 59 14.715 26.379 -9.958 436 HD12 ILE 59 1HD1 ILE 59 13.569 25.634 -8.844 437 HD13 ILE 59 2HD1 ILE 59 13.087 25.981 -10.505 438 H MET 60 H MET 60 8.920 28.071 -8.509 439 HA MET 60 HA MET 60 7.416 28.830 -10.658 440 HB2 MET 60 1HB MET 60 6.401 28.634 -7.817 441 HB3 MET 60 2HB MET 60 5.437 28.478 -9.279 442 HG2 MET 60 1HG MET 60 6.670 26.463 -9.884 443 HG3 MET 60 2HG MET 60 7.644 26.621 -8.424 444 HE1 MET 60 3HE MET 60 5.465 24.248 -9.675 445 HE2 MET 60 1HE MET 60 3.914 24.282 -8.836 446 HE3 MET 60 2HE MET 60 4.311 25.541 -10.005 447 H ALA 61 H ALA 61 8.183 30.728 -7.807 448 HA ALA 61 HA ALA 61 6.446 32.906 -8.628 449 HB1 ALA 61 1HB ALA 61 6.724 32.292 -6.237 450 HB2 ALA 61 2HB ALA 61 8.402 32.827 -6.336 451 HB3 ALA 61 3HB ALA 61 7.093 33.982 -6.582 452 H ASP 62 H ASP 62 9.873 32.876 -7.649 453 HA ASP 62 HA ASP 62 10.387 35.061 -9.512 454 HB2 ASP 62 1HB ASP 62 12.145 33.803 -7.394 455 HB3 ASP 62 2HB ASP 62 12.591 35.191 -8.382 456 HA PRO 63 HA PRO 63 11.916 32.107 -12.483 457 HB2 PRO 63 1HB PRO 63 12.590 33.946 -14.363 458 HB3 PRO 63 2HB PRO 63 10.924 33.429 -14.079 459 HG2 PRO 63 1HG PRO 63 12.336 35.885 -13.112 460 HG3 PRO 63 2HG PRO 63 10.695 35.722 -13.766 461 HD2 PRO 63 1HD PRO 63 11.194 35.901 -11.110 462 HD3 PRO 63 2HD PRO 63 9.838 34.960 -11.766 463 H ASN 64 H ASN 64 13.681 35.101 -11.717 464 HA ASN 64 HA ASN 64 16.172 34.443 -12.705 465 HB2 ASN 64 1HB ASN 64 15.818 35.886 -10.082 466 HB3 ASN 64 2HB ASN 64 17.062 36.132 -11.305 467 HD21 ASN 64 1HD2 ASN 64 16.815 37.867 -12.495 468 HD22 ASN 64 2HD2 ASN 64 15.320 38.650 -12.864 469 H LYS 65 H LYS 65 14.492 33.068 -10.053 470 HA LYS 65 HA LYS 65 16.744 32.097 -8.600 471 HB2 LYS 65 1HB LYS 65 13.826 31.338 -8.624 472 HB3 LYS 65 2HB LYS 65 15.000 30.530 -7.594 473 HG2 LYS 65 1HG LYS 65 14.746 33.504 -7.520 474 HG3 LYS 65 2HG LYS 65 13.593 32.489 -6.652 475 HD2 LYS 65 1HD LYS 65 15.223 32.909 -5.051 476 HD3 LYS 65 2HD LYS 65 15.697 31.332 -5.688 477 HE2 LYS 65 1HE LYS 65 17.538 32.166 -6.755 478 HE3 LYS 65 2HE LYS 65 16.815 33.756 -6.993 479 HZ1 LYS 65 3HZ LYS 65 18.688 33.178 -5.149 480 HZ2 LYS 65 1HZ LYS 65 17.271 33.068 -4.230 481 HZ3 LYS 65 2HZ LYS 65 17.631 34.496 -5.064 482 H ALA 66 H ALA 66 14.733 30.824 -11.190 483 HA ALA 66 HA ALA 66 15.404 28.164 -11.204 484 HB1 ALA 66 1HB ALA 66 14.161 29.925 -12.968 485 HB2 ALA 66 2HB ALA 66 15.470 29.194 -13.897 486 HB3 ALA 66 3HB ALA 66 14.266 28.171 -13.113 487 H ASP 67 H ASP 67 17.106 30.653 -13.118 488 HA ASP 67 HA ASP 67 19.164 29.259 -14.149 489 HB2 ASP 67 1HB ASP 67 18.987 32.028 -13.056 490 HB3 ASP 67 2HB ASP 67 20.578 31.414 -13.495 491 H GLU 68 H GLU 68 19.149 30.602 -10.852 492 HA GLU 68 HA GLU 68 21.660 29.548 -10.110 493 HB2 GLU 68 1HB GLU 68 20.610 31.388 -8.892 494 HB3 GLU 68 2HB GLU 68 19.303 30.328 -8.385 495 HG2 GLU 68 1HG GLU 68 20.724 30.488 -6.535 496 HG3 GLU 68 2HG GLU 68 21.073 28.916 -7.252 497 H VAL 69 H VAL 69 18.362 28.425 -9.357 498 HA VAL 69 HA VAL 69 18.976 26.153 -7.923 499 HB VAL 69 HB VAL 69 16.706 26.556 -9.875 500 HG11 VAL 69 1HG1 VAL 69 16.141 24.729 -7.729 501 HG12 VAL 69 2HG1 VAL 69 15.999 24.488 -9.471 502 HG13 VAL 69 3HG1 VAL 69 17.533 24.173 -8.658 503 HG21 VAL 69 3HG2 VAL 69 15.430 27.321 -8.064 504 HG22 VAL 69 1HG2 VAL 69 16.583 26.708 -6.879 505 HG23 VAL 69 2HG2 VAL 69 16.992 28.113 -7.863 506 H TYR 70 H TYR 70 18.206 26.190 -11.410 507 HA TYR 70 HA TYR 70 18.668 23.668 -12.159 508 HB2 TYR 70 1HB TYR 70 19.730 26.124 -13.566 509 HB3 TYR 70 2HB TYR 70 19.612 24.530 -14.302 510 HD1 TYR 70 1HD TYR 70 16.976 23.645 -13.259 511 HD2 TYR 70 2HD TYR 70 18.219 27.408 -14.806 512 HE1 TYR 70 1HE TYR 70 14.660 24.125 -13.936 513 HE2 TYR 70 2HE TYR 70 15.907 27.899 -15.486 514 HH TYR 70 HH TYR 70 13.251 25.715 -14.679 515 H LYS 71 H LYS 71 21.284 26.050 -11.757 516 HA LYS 71 HA LYS 71 23.419 24.334 -12.303 517 HB2 LYS 71 1HB LYS 71 23.191 26.837 -10.647 518 HB3 LYS 71 2HB LYS 71 24.719 25.980 -10.807 519 HG2 LYS 71 1HG LYS 71 24.848 26.412 -13.106 520 HG3 LYS 71 2HG LYS 71 23.146 26.870 -13.201 521 HD2 LYS 71 1HD LYS 71 24.172 28.933 -13.240 522 HD3 LYS 71 2HD LYS 71 23.859 28.737 -11.514 523 HE2 LYS 71 1HE LYS 71 26.061 29.416 -11.513 524 HE3 LYS 71 2HE LYS 71 26.232 27.662 -11.490 525 HZ1 LYS 71 3HZ LYS 71 27.398 27.795 -13.349 526 HZ2 LYS 71 1HZ LYS 71 27.212 29.477 -13.385 527 HZ3 LYS 71 2HZ LYS 71 26.080 28.484 -14.156 528 H LYS 72 H LYS 72 21.884 25.147 -9.205 529 HA LYS 72 HA LYS 72 23.532 23.745 -7.487 530 HB2 LYS 72 1HB LYS 72 20.548 24.195 -7.361 531 HB3 LYS 72 2HB LYS 72 21.483 23.518 -6.034 532 HG2 LYS 72 1HG LYS 72 22.912 25.655 -6.248 533 HG3 LYS 72 2HG LYS 72 21.537 26.289 -7.156 534 HD2 LYS 72 1HD LYS 72 21.005 24.980 -4.539 535 HD3 LYS 72 2HD LYS 72 21.735 26.587 -4.531 536 HE2 LYS 72 1HE LYS 72 19.816 27.116 -6.243 537 HE3 LYS 72 2HE LYS 72 19.047 25.719 -5.490 538 HZ1 LYS 72 3HZ LYS 72 19.331 26.817 -3.329 539 HZ2 LYS 72 1HZ LYS 72 18.368 27.725 -4.382 540 HZ3 LYS 72 2HZ LYS 72 19.974 28.176 -4.104 541 H TRP 73 H TRP 73 20.533 22.542 -9.000 542 HA TRP 73 HA TRP 73 20.624 19.940 -8.070 543 HB2 TRP 73 1HB TRP 73 19.565 21.074 -10.658 544 HB3 TRP 73 2HB TRP 73 19.357 19.382 -10.212 545 HD1 TRP 73 HD TRP 73 18.783 20.051 -7.049 546 HE1 TRP 73 1HE TRP 73 16.451 20.949 -6.431 547 HE3 TRP 73 3HE TRP 73 17.333 21.771 -11.640 548 HZ2 TRP 73 2HZ TRP 73 14.284 22.218 -7.719 549 HZ3 TRP 73 3HZ TRP 73 15.115 22.813 -11.862 550 HH2 TRP 73 HH TRP 73 13.623 23.030 -9.941 551 H ALA 74 H ALA 74 22.137 21.300 -10.975 552 HA ALA 74 HA ALA 74 23.155 18.964 -12.079 553 HB1 ALA 74 1HB ALA 74 24.246 20.312 -13.522 554 HB2 ALA 74 2HB ALA 74 23.236 21.557 -12.785 555 HB3 ALA 74 3HB ALA 74 24.900 21.335 -12.243 556 H ASP 75 H ASP 75 24.635 21.131 -9.684 557 HA ASP 75 HA ASP 75 27.055 19.699 -9.436 558 HB2 ASP 75 1HB ASP 75 26.352 22.100 -8.604 559 HB3 ASP 75 2HB ASP 75 25.929 21.234 -7.130 560 H LYS 76 H LYS 76 24.063 19.634 -7.523 561 HA LYS 76 HA LYS 76 24.741 17.919 -5.509 562 HB2 LYS 76 1HB LYS 76 22.156 17.974 -7.075 563 HB3 LYS 76 2HB LYS 76 22.366 17.170 -5.526 564 HG2 LYS 76 1HG LYS 76 22.891 20.102 -5.896 565 HG3 LYS 76 2HG LYS 76 21.296 19.463 -5.492 566 HD2 LYS 76 1HD LYS 76 23.613 18.584 -3.848 567 HD3 LYS 76 2HD LYS 76 23.013 20.229 -3.623 568 HE2 LYS 76 1HE LYS 76 20.737 19.282 -3.284 569 HE3 LYS 76 2HE LYS 76 21.441 17.668 -3.360 570 HZ1 LYS 76 3HZ LYS 76 22.932 19.089 -1.512 571 HZ2 LYS 76 1HZ LYS 76 21.837 17.838 -1.202 572 HZ3 LYS 76 2HZ LYS 76 21.314 19.446 -1.167 573 H GLY 77 H GLY 77 23.656 17.001 -8.772 574 HA2 GLY 77 1HA GLY 77 24.969 15.118 -9.759 575 HA3 GLY 77 2HA GLY 77 24.704 14.290 -8.232 576 H TYR 78 H TYR 78 22.399 16.198 -10.125 577 HA TYR 78 HA TYR 78 20.641 13.851 -10.191 578 HB2 TYR 78 1HB TYR 78 20.016 16.772 -10.673 579 HB3 TYR 78 2HB TYR 78 18.839 15.464 -10.685 580 HD1 TYR 78 1HD TYR 78 19.132 13.913 -8.423 581 HD2 TYR 78 2HD TYR 78 19.963 18.071 -8.779 582 HE1 TYR 78 1HE TYR 78 18.806 14.180 -5.999 583 HE2 TYR 78 2HE TYR 78 19.640 18.349 -6.357 584 HH TYR 78 HH TYR 78 19.545 17.175 -4.365 585 H THR 79 H THR 79 19.091 13.975 -12.208 586 HA THR 79 HA THR 79 20.290 14.868 -14.655 587 HB THR 79 HB THR 79 21.637 12.848 -14.266 588 HG1 THR 79 1HG THR 79 21.210 13.306 -16.415 589 HG21 THR 79 3HG2 THR 79 20.751 10.713 -13.986 590 HG22 THR 79 1HG2 THR 79 19.167 11.182 -14.602 591 HG23 THR 79 2HG2 THR 79 19.683 11.711 -13.000 592 H LEU 80 H LEU 80 18.929 14.526 -16.498 593 HA LEU 80 HA LEU 80 16.327 15.061 -16.302 594 HB2 LEU 80 1HB LEU 80 17.603 13.182 -18.278 595 HB3 LEU 80 2HB LEU 80 15.964 13.806 -18.445 596 HG LEU 80 HG LEU 80 18.490 15.458 -18.445 597 HD11 LEU 80 1HD1 LEU 80 16.710 14.417 -20.617 598 HD12 LEU 80 2HD1 LEU 80 18.469 14.364 -20.497 599 HD13 LEU 80 3HD1 LEU 80 17.654 15.891 -20.835 600 HD21 LEU 80 3HD2 LEU 80 16.943 17.272 -19.167 601 HD22 LEU 80 1HD2 LEU 80 16.697 16.736 -17.504 602 HD23 LEU 80 2HD2 LEU 80 15.589 16.211 -18.772 603 H THR 81 H THR 81 17.674 11.794 -16.098 604 HA THR 81 HA THR 81 15.233 10.409 -15.911 605 HB THR 81 HB THR 81 17.910 9.633 -14.736 606 HG1 THR 81 1HG THR 81 18.378 9.515 -16.805 607 HG21 THR 81 3HG2 THR 81 17.081 7.574 -14.273 608 HG22 THR 81 1HG2 THR 81 15.969 7.596 -15.641 609 HG23 THR 81 2HG2 THR 81 15.559 8.456 -14.157 610 H GLN 82 H GLN 82 17.505 11.308 -13.307 611 HA GLN 82 HA GLN 82 15.733 10.578 -11.220 612 HB2 GLN 82 1HB GLN 82 18.165 12.371 -11.222 613 HB3 GLN 82 2HB GLN 82 17.317 11.861 -9.769 614 HG2 GLN 82 1HG GLN 82 17.752 9.472 -10.603 615 HG3 GLN 82 2HG GLN 82 18.939 10.219 -11.670 616 HE21 GLN 82 1HE2 GLN 82 17.999 9.836 -8.301 617 HE22 GLN 82 2HE2 GLN 82 19.584 10.038 -7.644 618 H MET 83 H MET 83 16.807 13.809 -12.297 619 HA MET 83 HA MET 83 15.229 15.398 -10.750 620 HB2 MET 83 1HB MET 83 16.834 16.351 -12.273 621 HB3 MET 83 2HB MET 83 15.939 15.755 -13.664 622 HG2 MET 83 1HG MET 83 15.561 18.111 -13.411 623 HG3 MET 83 2HG MET 83 14.070 17.235 -13.070 624 HE1 MET 83 3HE MET 83 17.111 19.191 -11.518 625 HE2 MET 83 1HE MET 83 16.788 19.018 -9.793 626 HE3 MET 83 2HE MET 83 17.218 17.604 -10.755 627 H SER 84 H SER 84 14.277 14.453 -14.059 628 HA SER 84 HA SER 84 11.670 15.322 -13.987 629 HB2 SER 84 1HB SER 84 13.000 14.301 -15.943 630 HB3 SER 84 2HB SER 84 12.420 12.743 -15.353 631 HG SER 84 HG SER 84 10.262 13.720 -15.505 632 H ASN 85 H ASN 85 12.906 12.136 -13.019 633 HA ASN 85 HA ASN 85 10.496 10.918 -12.377 634 HB2 ASN 85 1HB ASN 85 13.325 10.551 -11.531 635 HB3 ASN 85 2HB ASN 85 12.084 9.768 -10.557 636 HD21 ASN 85 1HD2 ASN 85 13.524 7.965 -11.496 637 HD22 ASN 85 2HD2 ASN 85 12.935 7.232 -12.946 638 H PHE 86 H PHE 86 12.119 13.491 -10.805 639 HA PHE 86 HA PHE 86 10.636 13.110 -8.315 640 HB2 PHE 86 1HB PHE 86 12.744 15.146 -9.066 641 HB3 PHE 86 2HB PHE 86 11.991 15.009 -7.481 642 HD1 PHE 86 1HD PHE 86 11.949 12.142 -7.019 643 HD2 PHE 86 2HD PHE 86 14.960 14.570 -8.795 644 HE1 PHE 86 1HE PHE 86 13.660 10.506 -6.346 645 HE2 PHE 86 2HE PHE 86 16.676 12.938 -8.126 646 HZ PHE 86 HZ PHE 86 16.026 10.903 -6.901 647 H LEU 87 H LEU 87 11.260 15.794 -10.583 648 HA LEU 87 HA LEU 87 9.267 17.499 -9.664 649 HB2 LEU 87 1HB LEU 87 10.609 17.171 -12.322 650 HB3 LEU 87 2HB LEU 87 9.331 18.364 -12.098 651 HG LEU 87 HG LEU 87 11.895 18.289 -10.510 652 HD11 LEU 87 1HD1 LEU 87 12.556 20.224 -11.863 653 HD12 LEU 87 2HD1 LEU 87 11.117 20.010 -12.861 654 HD13 LEU 87 3HD1 LEU 87 12.369 18.768 -12.842 655 HD21 LEU 87 3HD2 LEU 87 9.587 20.212 -10.651 656 HD22 LEU 87 1HD2 LEU 87 11.165 20.657 -10.000 657 HD23 LEU 87 2HD2 LEU 87 10.227 19.372 -9.238 658 H LYS 88 H LYS 88 9.121 15.004 -12.177 659 HA LYS 88 HA LYS 88 6.681 15.373 -13.289 660 HB2 LYS 88 1HB LYS 88 6.585 13.038 -13.740 661 HB3 LYS 88 2HB LYS 88 8.288 13.479 -13.729 662 HG2 LYS 88 1HG LYS 88 8.609 12.509 -11.582 663 HG3 LYS 88 2HG LYS 88 6.872 12.283 -11.361 664 HD2 LYS 88 1HD LYS 88 6.949 10.781 -13.401 665 HD3 LYS 88 2HD LYS 88 8.708 10.846 -13.266 666 HE2 LYS 88 1HE LYS 88 8.200 10.169 -10.772 667 HE3 LYS 88 2HE LYS 88 6.702 9.561 -11.475 668 HZ1 LYS 88 3HZ LYS 88 9.273 8.845 -12.709 669 HZ2 LYS 88 1HZ LYS 88 7.810 7.995 -12.708 670 HZ3 LYS 88 2HZ LYS 88 8.768 8.030 -11.315 671 H SER 89 H SER 89 7.316 14.014 -10.092 672 HA SER 89 HA SER 89 5.893 13.336 -8.420 673 HB2 SER 89 1HB SER 89 5.963 15.818 -8.225 674 HB3 SER 89 2HB SER 89 4.510 15.907 -9.220 675 HG SER 89 HG SER 89 4.714 15.463 -6.589 676 H LYS 90 H LYS 90 5.245 11.824 -10.496 677 HA LYS 90 HA LYS 90 3.556 10.837 -11.733 678 HB2 LYS 90 1HB LYS 90 3.542 9.930 -9.342 679 HB3 LYS 90 2HB LYS 90 2.127 10.940 -9.080 680 HG2 LYS 90 1HG LYS 90 0.878 9.744 -10.721 681 HG3 LYS 90 2HG LYS 90 2.311 8.855 -11.241 682 HD2 LYS 90 1HD LYS 90 1.396 8.691 -8.398 683 HD3 LYS 90 2HD LYS 90 0.596 7.725 -9.639 684 HE2 LYS 90 1HE LYS 90 2.283 6.343 -8.747 685 HE3 LYS 90 2HE LYS 90 2.906 6.913 -10.294 686 HZ1 LYS 90 3HZ LYS 90 3.560 8.496 -7.932 687 HZ2 LYS 90 1HZ LYS 90 4.494 8.158 -9.301 688 HZ3 LYS 90 2HZ LYS 90 4.328 6.996 -8.084 689 H THR 91 H THR 91 3.396 13.629 -12.034 690 HA THR 91 HA THR 91 0.476 13.993 -12.217 691 HB THR 91 HB THR 91 2.552 16.115 -11.638 692 HG1 THR 91 1HG THR 91 2.058 15.494 -9.671 693 HG21 THR 91 3HG2 THR 91 -0.116 16.288 -12.786 694 HG22 THR 91 1HG2 THR 91 1.137 17.522 -12.652 695 HG23 THR 91 2HG2 THR 91 0.042 17.227 -11.302 696 H ALA 92 H ALA 92 -0.333 14.799 -14.113 697 HA ALA 92 HA ALA 92 0.761 14.267 -16.514 698 HB1 ALA 92 1HB ALA 92 -1.206 15.064 -17.154 699 HB2 ALA 92 2HB ALA 92 -1.415 15.859 -15.593 700 HB3 ALA 92 3HB ALA 92 -0.608 16.706 -16.913 701 H GLY 93 H GLY 93 1.280 17.237 -14.657 702 HA2 GLY 93 1HA GLY 93 3.865 17.671 -15.655 703 HA3 GLY 93 2HA GLY 93 2.747 18.639 -16.606 704 H LYS 94 H LYS 94 2.999 17.839 -13.141 705 HA LYS 94 HA LYS 94 2.038 20.265 -12.191 706 HB2 LYS 94 1HB LYS 94 2.248 18.323 -10.753 707 HB3 LYS 94 2HB LYS 94 3.999 18.350 -10.916 708 HG2 LYS 94 1HG LYS 94 4.247 20.110 -9.483 709 HG3 LYS 94 2HG LYS 94 2.647 20.766 -9.835 710 HD2 LYS 94 1HD LYS 94 1.603 19.001 -8.547 711 HD3 LYS 94 2HD LYS 94 3.171 18.238 -8.271 712 HE2 LYS 94 1HE LYS 94 2.828 21.078 -7.460 713 HE3 LYS 94 2HE LYS 94 2.051 19.836 -6.478 714 HZ1 LYS 94 3HZ LYS 94 4.640 18.970 -6.978 715 HZ2 LYS 94 1HZ LYS 94 3.995 19.496 -5.506 716 HZ3 LYS 94 2HZ LYS 94 4.764 20.597 -6.533 717 H TYR 95 H TYR 95 5.385 19.276 -12.828 718 HA TYR 95 HA TYR 95 6.168 22.110 -12.618 719 HB2 TYR 95 1HB TYR 95 7.757 19.625 -11.963 720 HB3 TYR 95 2HB TYR 95 8.467 21.231 -12.081 721 HD1 TYR 95 1HD TYR 95 7.279 23.067 -10.592 722 HD2 TYR 95 2HD TYR 95 7.071 18.876 -9.888 723 HE1 TYR 95 1HE TYR 95 6.708 23.497 -8.239 724 HE2 TYR 95 2HE TYR 95 6.499 19.294 -7.533 725 HH TYR 95 HH TYR 95 5.909 22.551 -6.335 726 H ASP 96 H ASP 96 5.464 22.143 -14.909 727 HA ASP 96 HA ASP 96 7.188 20.765 -16.798 728 HB2 ASP 96 1HB ASP 96 4.709 21.069 -17.162 729 HB3 ASP 96 2HB ASP 96 5.024 22.786 -17.398 730 H ARG 97 H ARG 97 6.341 24.141 -16.034 731 HA ARG 97 HA ARG 97 8.137 25.385 -17.752 732 HB2 ARG 97 1HB ARG 97 6.337 26.549 -16.516 733 HB3 ARG 97 2HB ARG 97 7.249 26.346 -15.026 734 HG2 ARG 97 1HG ARG 97 8.953 27.812 -15.757 735 HG3 ARG 97 2HG ARG 97 8.335 27.816 -17.410 736 HD2 ARG 97 1HD ARG 97 6.911 28.932 -14.996 737 HD3 ARG 97 2HD ARG 97 7.768 29.880 -16.211 738 HE ARG 97 HE ARG 97 5.931 28.414 -17.618 739 HH11 ARG 97 2HH1 ARG 97 5.814 30.702 -14.996 740 HH12 ARG 97 1HH1 ARG 97 4.244 31.301 -15.416 741 HH21 ARG 97 2HH2 ARG 97 3.863 29.195 -18.181 742 HH22 ARG 97 1HH2 ARG 97 3.134 30.443 -17.227 743 H VAL 98 H VAL 98 8.597 24.336 -14.393 744 HA VAL 98 HA VAL 98 11.221 25.309 -14.091 745 HB VAL 98 HB VAL 98 9.905 22.964 -12.713 746 HG11 VAL 98 1HG1 VAL 98 12.533 23.389 -12.702 747 HG12 VAL 98 2HG1 VAL 98 12.074 24.529 -11.436 748 HG13 VAL 98 3HG1 VAL 98 11.662 22.821 -11.278 749 HG21 VAL 98 3HG2 VAL 98 9.111 24.425 -11.102 750 HG22 VAL 98 1HG2 VAL 98 10.265 25.688 -11.532 751 HG23 VAL 98 2HG2 VAL 98 8.891 25.352 -12.586 752 H TYR 99 H TYR 99 10.223 21.905 -14.489 753 HA TYR 99 HA TYR 99 12.641 20.741 -14.909 754 HB2 TYR 99 1HB TYR 99 10.569 19.460 -14.822 755 HB3 TYR 99 2HB TYR 99 10.068 20.120 -16.374 756 HD1 TYR 99 1HD TYR 99 12.838 18.155 -14.825 757 HD2 TYR 99 2HD TYR 99 10.517 18.921 -18.308 758 HE1 TYR 99 1HE TYR 99 13.951 16.285 -15.971 759 HE2 TYR 99 2HE TYR 99 11.622 17.052 -19.463 760 HH TYR 99 HH TYR 99 13.547 14.763 -17.831 761 H ASN 100 H ASN 100 10.632 22.276 -17.409 762 HA ASN 100 HA ASN 100 12.032 21.798 -19.677 763 HB2 ASN 100 1HB ASN 100 10.590 24.242 -18.716 764 HB3 ASN 100 2HB ASN 100 11.448 24.293 -20.253 765 HD21 ASN 100 1HD2 ASN 100 9.261 24.697 -21.062 766 HD22 ASN 100 2HD2 ASN 100 8.254 23.341 -21.429 767 H GLY 101 H GLY 101 12.654 24.699 -17.685 768 HA2 GLY 101 1HA GLY 101 14.915 25.630 -18.894 769 HA3 GLY 101 2HA GLY 101 14.641 25.745 -17.162 770 H TYR 102 H TYR 102 14.946 23.343 -16.155 771 HA TYR 102 HA TYR 102 17.625 22.895 -15.932 772 HB2 TYR 102 1HB TYR 102 15.734 21.871 -14.566 773 HB3 TYR 102 2HB TYR 102 15.624 20.639 -15.818 774 HD1 TYR 102 1HD TYR 102 18.492 22.277 -14.059 775 HD2 TYR 102 2HD TYR 102 16.519 18.649 -15.081 776 HE1 TYR 102 1HE TYR 102 20.279 21.001 -12.951 777 HE2 TYR 102 2HE TYR 102 18.299 17.362 -13.974 778 HH TYR 102 HH TYR 102 21.072 18.989 -12.461 779 H VAL 103 H VAL 103 15.412 21.202 -18.144 780 HA VAL 103 HA VAL 103 17.078 19.393 -19.319 781 HB VAL 103 HB VAL 103 15.026 21.110 -20.723 782 HG11 VAL 103 1HG1 VAL 103 16.695 18.830 -21.633 783 HG12 VAL 103 2HG1 VAL 103 15.011 18.879 -22.160 784 HG13 VAL 103 3HG1 VAL 103 16.092 20.223 -22.531 785 HG21 VAL 103 3HG2 VAL 103 14.544 19.440 -18.687 786 HG22 VAL 103 1HG2 VAL 103 13.419 19.673 -20.025 787 HG23 VAL 103 2HG2 VAL 103 14.506 18.284 -20.018 788 H ILE 104 H ILE 104 16.500 22.620 -20.731 789 HA ILE 104 HA ILE 104 18.624 22.510 -22.552 790 HB ILE 104 HB ILE 104 17.246 24.896 -21.323 791 HG12 ILE 104 1HG1 ILE 104 16.449 24.894 -23.866 792 HG13 ILE 104 2HG1 ILE 104 16.803 23.176 -23.718 793 HG21 ILE 104 1HG2 ILE 104 19.359 24.725 -23.441 794 HG22 ILE 104 2HG2 ILE 104 18.203 26.056 -23.405 795 HG23 ILE 104 3HG2 ILE 104 19.280 25.786 -22.035 796 HD11 ILE 104 3HD1 ILE 104 14.509 24.612 -22.856 797 HD12 ILE 104 1HD1 ILE 104 14.824 22.878 -22.790 798 HD13 ILE 104 2HD1 ILE 104 15.307 23.914 -21.446 799 H HIS 105 H HIS 105 18.485 23.602 -19.213 800 HA HIS 105 HA HIS 105 20.929 24.933 -19.052 801 HB2 HIS 105 1HB HIS 105 19.440 25.126 -17.214 802 HB3 HIS 105 2HB HIS 105 19.349 23.379 -17.007 803 HD1 HIS 105 1HD HIS 105 21.913 26.164 -16.670 804 HD2 HIS 105 2HD HIS 105 21.044 22.405 -15.126 805 HE1 HIS 105 1HE HIS 105 23.584 25.791 -14.827 806 HE2 HIS 105 2HE HIS 105 23.093 23.476 -13.965 807 H LEU 106 H LEU 106 20.175 21.496 -18.780 808 HA LEU 106 HA LEU 106 22.769 20.667 -18.000 809 HB2 LEU 106 1HB LEU 106 20.316 19.350 -19.022 810 HB3 LEU 106 2HB LEU 106 21.829 18.456 -19.150 811 HG LEU 106 HG LEU 106 20.472 19.427 -16.641 812 HD11 LEU 106 1HD1 LEU 106 20.018 17.227 -16.182 813 HD12 LEU 106 2HD1 LEU 106 21.339 16.629 -17.186 814 HD13 LEU 106 3HD1 LEU 106 19.865 17.236 -17.940 815 HD21 LEU 106 3HD2 LEU 106 22.549 19.681 -15.832 816 HD22 LEU 106 1HD2 LEU 106 23.286 18.795 -17.167 817 HD23 LEU 106 2HD2 LEU 106 22.579 17.917 -15.810 818 H ASP 107 H ASP 107 21.178 21.019 -21.131 819 HA ASP 107 HA ASP 107 22.904 19.772 -22.833 820 HB2 ASP 107 1HB ASP 107 21.484 22.416 -23.164 821 HB3 ASP 107 2HB ASP 107 22.353 21.626 -24.477 822 H TYR 108 H TYR 108 23.525 22.575 -20.913 823 HA TYR 108 HA TYR 108 25.466 23.979 -22.141 824 HB2 TYR 108 1HB TYR 108 26.194 24.676 -20.060 825 HB3 TYR 108 2HB TYR 108 24.607 24.027 -19.662 826 HD1 TYR 108 1HD TYR 108 24.440 21.749 -18.632 827 HD2 TYR 108 2HD TYR 108 28.167 23.735 -19.145 828 HE1 TYR 108 1HE TYR 108 25.466 20.235 -16.988 829 HE2 TYR 108 2HE TYR 108 29.204 22.226 -17.503 830 HH TYR 108 HH TYR 108 28.912 20.208 -16.416 Start of MODEL 11 1 H1 GLY 1 H GLY 1 59.785 21.224 48.071 2 HA2 GLY 1 1HA GLY 1 62.527 21.113 47.114 3 HA3 GLY 1 2HA GLY 1 61.180 20.140 46.542 4 H SER 2 H SER 2 62.845 21.104 44.681 5 HA SER 2 HA SER 2 61.453 23.441 43.550 6 HB2 SER 2 1HB SER 2 64.278 22.442 43.191 7 HB3 SER 2 2HB SER 2 63.552 23.624 42.103 8 HG SER 2 HG SER 2 63.625 25.104 43.634 9 H SER 3 H SER 3 61.780 23.408 41.010 10 HA SER 3 HA SER 3 60.843 20.769 40.095 11 HB2 SER 3 1HB SER 3 59.345 22.960 40.034 12 HB3 SER 3 2HB SER 3 60.239 23.247 38.541 13 HG SER 3 HG SER 3 59.474 20.715 38.536 14 H GLY 4 H GLY 4 61.104 20.629 37.569 15 HA2 GLY 4 1HA GLY 4 63.798 21.603 36.855 16 HA3 GLY 4 2HA GLY 4 63.350 19.920 36.615 17 H SER 5 H SER 5 63.767 20.088 34.383 18 HA SER 5 HA SER 5 61.505 20.839 32.828 19 HB2 SER 5 1HB SER 5 62.345 22.661 31.587 20 HB3 SER 5 2HB SER 5 62.752 23.050 33.258 21 HG SER 5 HG SER 5 64.395 22.898 31.229 22 H SER 6 H SER 6 62.196 20.747 30.364 23 HA SER 6 HA SER 6 64.385 18.929 29.844 24 HB2 SER 6 1HB SER 6 61.503 18.071 29.592 25 HB3 SER 6 2HB SER 6 62.800 17.288 28.690 26 HG SER 6 HG SER 6 63.071 17.615 31.461 27 H GLY 7 H GLY 7 64.176 18.202 27.395 28 HA2 GLY 7 1HA GLY 7 63.379 20.609 25.874 29 HA3 GLY 7 2HA GLY 7 64.833 19.687 25.520 30 H ASN 8 H ASN 8 63.781 19.743 23.336 31 HA ASN 8 HA ASN 8 62.432 17.225 22.909 32 HB2 ASN 8 1HB ASN 8 61.082 19.648 21.753 33 HB3 ASN 8 2HB ASN 8 60.445 18.018 21.954 34 HD21 ASN 8 1HD2 ASN 8 60.585 21.116 23.224 35 HD22 ASN 8 2HD2 ASN 8 59.874 20.794 24.766 36 H VAL 9 H VAL 9 62.169 16.767 20.554 37 HA VAL 9 HA VAL 9 64.089 18.266 18.905 38 HB VAL 9 HB VAL 9 63.899 15.258 19.114 39 HG11 VAL 9 1HG1 VAL 9 65.690 15.207 17.441 40 HG12 VAL 9 2HG1 VAL 9 64.220 15.942 16.798 41 HG13 VAL 9 3HG1 VAL 9 65.580 16.959 17.275 42 HG21 VAL 9 3HG2 VAL 9 66.385 16.857 19.538 43 HG22 VAL 9 1HG2 VAL 9 65.200 16.724 20.838 44 HG23 VAL 9 2HG2 VAL 9 65.947 15.271 20.173 45 H ASP 10 H ASP 10 63.673 18.297 16.683 46 HA ASP 10 HA ASP 10 60.932 17.503 15.962 47 HB2 ASP 10 1HB ASP 10 62.705 19.752 15.048 48 HB3 ASP 10 2HB ASP 10 61.356 19.208 14.053 49 H SER 11 H SER 11 60.637 16.998 13.597 50 HA SER 11 HA SER 11 62.858 16.036 12.091 51 HB2 SER 11 1HB SER 11 62.299 13.640 12.154 52 HB3 SER 11 2HB SER 11 62.748 14.229 13.754 53 HG SER 11 HG SER 11 60.323 14.546 13.938 54 H ASN 12 H ASN 12 61.947 14.542 10.231 55 HA ASN 12 HA ASN 12 59.253 15.378 9.457 56 HB2 ASN 12 1HB ASN 12 60.161 15.907 7.139 57 HB3 ASN 12 2HB ASN 12 60.537 17.074 8.403 58 HD21 ASN 12 1HD2 ASN 12 62.413 17.893 7.719 59 HD22 ASN 12 2HD2 ASN 12 63.844 16.972 7.420 60 H GLN 13 H GLN 13 58.527 14.220 7.446 61 HA GLN 13 HA GLN 13 59.849 11.921 6.503 62 HB2 GLN 13 1HB GLN 13 59.085 11.379 8.975 63 HB3 GLN 13 2HB GLN 13 57.531 11.103 8.199 64 HG2 GLN 13 1HG GLN 13 58.323 9.310 6.961 65 HG3 GLN 13 2HG GLN 13 60.007 9.793 7.157 66 HE21 GLN 13 1HE2 GLN 13 57.212 8.476 8.831 67 HE22 GLN 13 2HE2 GLN 13 58.104 7.640 10.052 68 H ASN 14 H ASN 14 58.356 10.506 5.200 69 HA ASN 14 HA ASN 14 56.476 12.221 3.796 70 HB2 ASN 14 1HB ASN 14 56.447 10.437 2.102 71 HB3 ASN 14 2HB ASN 14 58.093 10.932 2.484 72 HD21 ASN 14 1HD2 ASN 14 55.639 8.513 3.244 73 HD22 ASN 14 2HD2 ASN 14 56.750 7.227 3.559 74 H LYS 15 H LYS 15 54.497 10.903 2.871 75 HA LYS 15 HA LYS 15 53.292 9.258 4.975 76 HB2 LYS 15 1HB LYS 15 51.283 10.541 5.052 77 HB3 LYS 15 2HB LYS 15 52.617 11.664 5.278 78 HG2 LYS 15 1HG LYS 15 52.445 12.373 2.964 79 HG3 LYS 15 2HG LYS 15 51.153 11.203 2.686 80 HD2 LYS 15 1HD LYS 15 50.821 13.162 4.900 81 HD3 LYS 15 2HD LYS 15 50.640 13.741 3.242 82 HE2 LYS 15 1HE LYS 15 48.968 11.973 2.841 83 HE3 LYS 15 2HE LYS 15 49.123 11.468 4.523 84 HZ1 LYS 15 3HZ LYS 15 47.385 12.864 4.757 85 HZ2 LYS 15 1HZ LYS 15 47.778 13.790 3.397 86 HZ3 LYS 15 2HZ LYS 15 48.597 14.039 4.856 87 H ALA 16 H ALA 16 51.002 8.527 4.129 88 HA ALA 16 HA ALA 16 51.101 7.986 1.250 89 HB1 ALA 16 1HB ALA 16 51.883 5.933 1.689 90 HB2 ALA 16 2HB ALA 16 51.441 6.020 3.394 91 HB3 ALA 16 3HB ALA 16 50.228 5.585 2.190 92 H SER 17 H SER 17 49.048 7.131 0.407 93 HA SER 17 HA SER 17 46.758 8.042 2.026 94 HB2 SER 17 1HB SER 17 45.647 8.629 -0.113 95 HB3 SER 17 2HB SER 17 47.131 9.545 0.143 96 HG SER 17 HG SER 17 48.186 8.099 -1.266 97 H MET 18 H MET 18 46.473 5.921 2.861 98 HA MET 18 HA MET 18 46.182 3.617 1.273 99 HB2 MET 18 1HB MET 18 46.508 3.798 3.814 100 HB3 MET 18 2HB MET 18 44.769 4.043 3.897 101 HG2 MET 18 1HG MET 18 45.806 1.693 2.402 102 HG3 MET 18 2HG MET 18 45.835 1.661 4.163 103 HE1 MET 18 3HE MET 18 44.695 -0.398 2.735 104 HE2 MET 18 1HE MET 18 43.579 -0.614 4.084 105 HE3 MET 18 2HE MET 18 42.957 -0.475 2.440 106 H LEU 19 H LEU 19 44.422 2.629 0.361 107 HA LEU 19 HA LEU 19 41.762 3.691 0.708 108 HB2 LEU 19 1HB LEU 19 42.462 5.259 -0.913 109 HB3 LEU 19 2HB LEU 19 43.282 4.021 -1.863 110 HG LEU 19 HG LEU 19 40.333 3.806 -1.535 111 HD11 LEU 19 1HD1 LEU 19 41.468 6.206 -2.385 112 HD12 LEU 19 2HD1 LEU 19 39.803 5.673 -2.610 113 HD13 LEU 19 3HD1 LEU 19 41.004 5.363 -3.863 114 HD21 LEU 19 3HD2 LEU 19 40.482 2.887 -3.764 115 HD22 LEU 19 1HD2 LEU 19 41.664 2.099 -2.720 116 HD23 LEU 19 2HD2 LEU 19 42.186 3.332 -3.868 117 H GLN 20 H GLN 20 40.130 2.362 -0.246 118 HA GLN 20 HA GLN 20 40.927 -0.093 -1.557 119 HB2 GLN 20 1HB GLN 20 39.993 -1.586 0.086 120 HB3 GLN 20 2HB GLN 20 41.201 -0.575 0.868 121 HG2 GLN 20 1HG GLN 20 39.401 -0.695 2.364 122 HG3 GLN 20 2HG GLN 20 39.298 0.900 1.620 123 HE21 GLN 20 1HE2 GLN 20 38.080 -2.406 1.264 124 HE22 GLN 20 2HE2 GLN 20 36.502 -1.953 0.728 125 H ALA 21 H ALA 21 38.850 -1.533 -1.805 126 HA ALA 21 HA ALA 21 36.310 -0.310 -1.783 127 HB1 ALA 21 1HB ALA 21 37.967 0.110 -4.196 128 HB2 ALA 21 2HB ALA 21 36.280 -0.334 -4.454 129 HB3 ALA 21 3HB ALA 21 36.679 1.104 -3.514 130 H ARG 22 H ARG 22 34.658 -1.637 -2.791 131 HA ARG 22 HA ARG 22 35.390 -4.187 -3.907 132 HB2 ARG 22 1HB ARG 22 34.470 -3.926 -1.073 133 HB3 ARG 22 2HB ARG 22 33.958 -5.322 -2.012 134 HG2 ARG 22 1HG ARG 22 36.485 -5.574 -2.539 135 HG3 ARG 22 2HG ARG 22 36.698 -4.545 -1.121 136 HD2 ARG 22 1HD ARG 22 36.790 -6.688 -0.232 137 HD3 ARG 22 2HD ARG 22 35.115 -6.213 0.047 138 HE ARG 22 HE ARG 22 34.987 -7.479 -2.329 139 HH11 ARG 22 2HH1 ARG 22 36.381 -8.345 0.742 140 HH12 ARG 22 1HH1 ARG 22 36.132 -10.045 0.523 141 HH21 ARG 22 2HH2 ARG 22 34.654 -9.716 -2.629 142 HH22 ARG 22 1HH2 ARG 22 35.150 -10.824 -1.395 143 H LEU 23 H LEU 23 33.414 -5.533 -4.345 144 HA LEU 23 HA LEU 23 30.902 -4.074 -4.390 145 HB2 LEU 23 1HB LEU 23 32.514 -4.725 -6.812 146 HB3 LEU 23 2HB LEU 23 30.756 -4.792 -6.909 147 HG LEU 23 HG LEU 23 32.082 -2.323 -5.870 148 HD11 LEU 23 1HD1 LEU 23 32.297 -3.394 -8.588 149 HD12 LEU 23 2HD1 LEU 23 33.244 -2.147 -7.777 150 HD13 LEU 23 3HD1 LEU 23 31.685 -1.742 -8.496 151 HD21 LEU 23 3HD2 LEU 23 30.016 -1.517 -5.976 152 HD22 LEU 23 1HD2 LEU 23 29.455 -3.138 -6.385 153 HD23 LEU 23 2HD2 LEU 23 29.861 -1.997 -7.667 154 H ASN 24 H ASN 24 29.353 -5.439 -3.821 155 HA ASN 24 HA ASN 24 29.405 -8.187 -4.804 156 HB2 ASN 24 1HB ASN 24 29.179 -7.470 -1.873 157 HB3 ASN 24 2HB ASN 24 28.909 -9.077 -2.541 158 HD21 ASN 24 1HD2 ASN 24 30.800 -9.803 -4.002 159 HD22 ASN 24 2HD2 ASN 24 32.374 -9.581 -3.326 160 H ASP 25 H ASP 25 27.310 -9.337 -4.092 161 HA ASP 25 HA ASP 25 25.046 -7.582 -3.669 162 HB2 ASP 25 1HB ASP 25 25.581 -7.598 -6.177 163 HB3 ASP 25 2HB ASP 25 25.051 -9.278 -6.161 164 H GLU 26 H GLU 26 23.157 -8.678 -3.052 165 HA GLU 26 HA GLU 26 23.026 -11.542 -3.045 166 HB2 GLU 26 1HB GLU 26 23.003 -11.820 -0.603 167 HB3 GLU 26 2HB GLU 26 24.560 -11.239 -1.177 168 HG2 GLU 26 1HG GLU 26 23.874 -8.941 -0.540 169 HG3 GLU 26 2HG GLU 26 22.406 -9.621 0.162 170 H ALA 27 H ALA 27 20.985 -12.331 -2.458 171 HA ALA 27 HA ALA 27 18.858 -10.410 -2.723 172 HB1 ALA 27 1HB ALA 27 19.166 -13.283 -2.982 173 HB2 ALA 27 2HB ALA 27 17.677 -12.841 -2.146 174 HB3 ALA 27 3HB ALA 27 18.011 -12.195 -3.752 175 H GLY 28 H GLY 28 16.853 -10.803 -1.248 176 HA2 GLY 28 1HA GLY 28 16.501 -11.645 1.174 177 HA3 GLY 28 2HA GLY 28 17.816 -10.530 1.518 178 H GLY 29 H GLY 29 14.450 -10.853 0.751 179 HA2 GLY 29 1HA GLY 29 14.045 -8.076 1.582 180 HA3 GLY 29 2HA GLY 29 13.426 -8.546 0.006 181 H THR 30 H THR 30 13.475 -10.405 3.023 182 HA THR 30 HA THR 30 10.935 -11.471 2.763 183 HB THR 30 HB THR 30 11.011 -11.776 5.276 184 HG1 THR 30 1HG THR 30 12.302 -10.371 6.212 185 HG21 THR 30 3HG2 THR 30 12.243 -13.154 3.322 186 HG22 THR 30 1HG2 THR 30 12.325 -13.608 5.024 187 HG23 THR 30 2HG2 THR 30 13.643 -12.694 4.290 188 H ARG 31 H ARG 31 9.094 -11.076 4.357 189 HA ARG 31 HA ARG 31 8.395 -8.245 4.203 190 HB2 ARG 31 1HB ARG 31 6.839 -9.976 3.314 191 HB3 ARG 31 2HB ARG 31 6.657 -10.603 4.947 192 HG2 ARG 31 1HG ARG 31 5.597 -8.605 5.682 193 HG3 ARG 31 2HG ARG 31 5.986 -7.776 4.173 194 HD2 ARG 31 1HD ARG 31 4.368 -10.282 4.096 195 HD3 ARG 31 2HD ARG 31 3.596 -8.771 4.575 196 HE ARG 31 HE ARG 31 4.917 -8.175 2.257 197 HH11 ARG 31 2HH1 ARG 31 2.516 -10.509 3.209 198 HH12 ARG 31 1HH1 ARG 31 1.778 -10.582 1.643 199 HH21 ARG 31 2HH2 ARG 31 3.955 -8.263 0.191 200 HH22 ARG 31 1HH2 ARG 31 2.598 -9.306 -0.074 201 H LEU 32 H LEU 32 9.746 -7.554 5.947 202 HA LEU 32 HA LEU 32 8.768 -8.352 8.609 203 HB2 LEU 32 1HB LEU 32 11.450 -7.365 7.682 204 HB3 LEU 32 2HB LEU 32 10.981 -7.345 9.381 205 HG LEU 32 HG LEU 32 11.048 -9.849 7.706 206 HD11 LEU 32 1HD1 LEU 32 13.142 -9.075 9.703 207 HD12 LEU 32 2HD1 LEU 32 13.277 -8.608 8.009 208 HD13 LEU 32 3HD1 LEU 32 13.202 -10.314 8.449 209 HD21 LEU 32 3HD2 LEU 32 9.650 -10.143 9.589 210 HD22 LEU 32 1HD2 LEU 32 10.767 -9.282 10.647 211 HD23 LEU 32 2HD2 LEU 32 11.200 -10.871 10.014 212 H LEU 33 H LEU 33 7.106 -6.891 8.833 213 HA LEU 33 HA LEU 33 7.762 -4.040 8.590 214 HB2 LEU 33 1HB LEU 33 5.202 -5.586 8.564 215 HB3 LEU 33 2HB LEU 33 5.197 -3.870 8.965 216 HG LEU 33 HG LEU 33 6.365 -4.923 6.401 217 HD11 LEU 33 1HD1 LEU 33 4.182 -5.628 6.143 218 HD12 LEU 33 2HD1 LEU 33 4.126 -3.996 5.477 219 HD13 LEU 33 3HD1 LEU 33 3.528 -4.303 7.107 220 HD21 LEU 33 3HD2 LEU 33 6.379 -2.716 5.691 221 HD22 LEU 33 1HD2 LEU 33 6.848 -2.581 7.386 222 HD23 LEU 33 2HD2 LEU 33 5.194 -2.214 6.898 223 H ARG 34 H ARG 34 7.186 -2.577 10.270 224 HA ARG 34 HA ARG 34 6.474 -3.685 12.862 225 HB2 ARG 34 1HB ARG 34 9.089 -2.262 12.348 226 HB3 ARG 34 2HB ARG 34 8.417 -2.526 13.951 227 HG2 ARG 34 1HG ARG 34 8.941 -4.796 12.064 228 HG3 ARG 34 2HG ARG 34 10.191 -4.155 13.132 229 HD2 ARG 34 1HD ARG 34 8.587 -4.529 15.040 230 HD3 ARG 34 2HD ARG 34 7.565 -5.408 13.903 231 HE ARG 34 HE ARG 34 10.288 -6.341 14.012 232 HH11 ARG 34 2HH1 ARG 34 7.092 -6.617 15.363 233 HH12 ARG 34 1HH1 ARG 34 7.343 -8.221 15.966 234 HH21 ARG 34 2HH2 ARG 34 10.632 -8.453 14.801 235 HH22 ARG 34 1HH2 ARG 34 9.358 -9.264 15.647 236 H VAL 35 H VAL 35 5.869 -2.068 14.414 237 HA VAL 35 HA VAL 35 4.289 -0.025 13.421 238 HB VAL 35 HB VAL 35 4.135 -0.960 15.722 239 HG11 VAL 35 1HG1 VAL 35 6.813 0.059 15.872 240 HG12 VAL 35 2HG1 VAL 35 5.819 0.779 17.140 241 HG13 VAL 35 3HG1 VAL 35 5.946 -0.975 17.008 242 HG21 VAL 35 3HG2 VAL 35 3.511 1.158 16.805 243 HG22 VAL 35 1HG2 VAL 35 4.354 2.043 15.533 244 HG23 VAL 35 2HG2 VAL 35 2.935 1.072 15.140 245 H HIS 36 H HIS 36 4.500 2.241 13.368 246 HA HIS 36 HA HIS 36 6.758 3.286 12.218 247 HB2 HIS 36 1HB HIS 36 5.827 5.444 12.547 248 HB3 HIS 36 2HB HIS 36 4.455 4.349 12.398 249 HD1 HIS 36 1HD HIS 36 3.444 3.558 14.833 250 HD2 HIS 36 2HD HIS 36 5.712 7.037 14.732 251 HE1 HIS 36 1HE HIS 36 2.866 4.799 16.942 252 HE2 HIS 36 2HE HIS 36 4.186 6.940 16.818 253 H HIS 37 H HIS 37 8.752 3.626 12.917 254 HA HIS 37 HA HIS 37 9.165 4.194 15.779 255 HB2 HIS 37 1HB HIS 37 10.742 2.414 13.929 256 HB3 HIS 37 2HB HIS 37 11.438 3.058 15.413 257 HD1 HIS 37 1HD HIS 37 9.862 0.137 14.227 258 HD2 HIS 37 2HD HIS 37 9.533 2.373 17.713 259 HE1 HIS 37 1HE HIS 37 8.835 -1.409 15.924 260 HE2 HIS 37 2HE HIS 37 8.567 -0.009 18.000 261 H GLU 38 H GLU 38 10.834 5.637 16.316 262 HA GLU 38 HA GLU 38 11.146 7.844 14.654 263 HB2 GLU 38 1HB GLU 38 11.540 7.635 17.187 264 HB3 GLU 38 2HB GLU 38 13.159 7.097 16.763 265 HG2 GLU 38 1HG GLU 38 13.754 9.160 15.885 266 HG3 GLU 38 2HG GLU 38 12.078 9.667 15.686 267 H SER 39 H SER 39 13.538 5.308 15.397 268 HA SER 39 HA SER 39 15.538 6.224 13.669 269 HB2 SER 39 1HB SER 39 15.780 4.474 15.481 270 HB3 SER 39 2HB SER 39 15.036 3.325 14.368 271 HG SER 39 HG SER 39 17.537 3.814 14.506 272 H ASP 40 H ASP 40 13.151 3.629 13.140 273 HA ASP 40 HA ASP 40 13.838 3.180 10.441 274 HB2 ASP 40 1HB ASP 40 11.336 2.575 12.018 275 HB3 ASP 40 2HB ASP 40 11.549 2.084 10.339 276 H THR 41 H THR 41 13.971 5.218 9.444 277 HA THR 41 HA THR 41 11.358 6.314 8.673 278 HB THR 41 HB THR 41 13.752 8.001 9.430 279 HG1 THR 41 1HG THR 41 12.557 8.553 11.219 280 HG21 THR 41 3HG2 THR 41 11.243 8.564 7.985 281 HG22 THR 41 1HG2 THR 41 12.794 9.401 7.934 282 HG23 THR 41 2HG2 THR 41 11.667 9.712 9.255 283 H GLU 42 H GLU 42 11.218 5.927 6.561 284 HA GLU 42 HA GLU 42 13.338 5.418 4.827 285 HB2 GLU 42 1HB GLU 42 11.133 4.719 4.222 286 HB3 GLU 42 2HB GLU 42 10.526 6.368 4.288 287 HG2 GLU 42 1HG GLU 42 10.731 6.104 2.039 288 HG3 GLU 42 2HG GLU 42 12.320 6.766 2.417 289 H GLU 43 H GLU 43 14.950 6.782 4.412 290 HA GLU 43 HA GLU 43 14.340 9.634 4.054 291 HB2 GLU 43 1HB GLU 43 16.935 8.216 4.668 292 HB3 GLU 43 2HB GLU 43 16.820 9.936 4.320 293 HG2 GLU 43 1HG GLU 43 15.419 10.269 6.264 294 HG3 GLU 43 2HG GLU 43 15.431 8.537 6.594 295 H ARG 44 H ARG 44 16.545 7.179 2.695 296 HA ARG 44 HA ARG 44 17.437 8.391 0.459 297 HB2 ARG 44 1HB ARG 44 16.589 5.559 0.944 298 HB3 ARG 44 2HB ARG 44 17.123 6.045 -0.659 299 HG2 ARG 44 1HG ARG 44 19.237 6.869 0.376 300 HG3 ARG 44 2HG ARG 44 18.698 6.161 1.900 301 HD2 ARG 44 1HD ARG 44 20.147 4.585 0.862 302 HD3 ARG 44 2HD ARG 44 18.503 3.967 0.706 303 HE ARG 44 HE ARG 44 18.838 5.279 -1.612 304 HH11 ARG 44 2HH1 ARG 44 20.811 2.949 0.060 305 HH12 ARG 44 1HH1 ARG 44 21.495 2.292 -1.390 306 HH21 ARG 44 2HH2 ARG 44 19.731 4.423 -3.529 307 HH22 ARG 44 1HH2 ARG 44 20.880 3.132 -3.431 308 H GLY 45 H GLY 45 16.557 9.395 -1.223 309 HA2 GLY 45 1HA GLY 45 15.131 9.737 -3.028 310 HA3 GLY 45 2HA GLY 45 14.164 8.373 -2.488 311 H PHE 46 H PHE 46 13.666 9.253 0.154 312 HA PHE 46 HA PHE 46 11.403 10.881 -0.282 313 HB2 PHE 46 1HB PHE 46 11.224 9.456 1.562 314 HB3 PHE 46 2HB PHE 46 12.820 9.884 2.170 315 HD1 PHE 46 1HD PHE 46 9.335 11.024 1.838 316 HD2 PHE 46 2HD PHE 46 13.129 11.721 3.635 317 HE1 PHE 46 1HE PHE 46 8.307 12.657 3.364 318 HE2 PHE 46 2HE PHE 46 12.108 13.354 5.165 319 HZ PHE 46 HZ PHE 46 9.694 13.824 5.032 320 H LEU 47 H LEU 47 14.370 11.597 1.570 321 HA LEU 47 HA LEU 47 13.832 14.319 1.951 322 HB2 LEU 47 1HB LEU 47 16.257 12.605 2.079 323 HB3 LEU 47 2HB LEU 47 16.477 14.353 2.064 324 HG LEU 47 HG LEU 47 14.632 13.088 4.053 325 HD11 LEU 47 1HD1 LEU 47 17.563 12.852 3.943 326 HD12 LEU 47 2HD1 LEU 47 16.370 11.859 4.780 327 HD13 LEU 47 3HD1 LEU 47 16.895 13.388 5.485 328 HD21 LEU 47 3HD2 LEU 47 15.518 15.058 5.385 329 HD22 LEU 47 1HD2 LEU 47 14.493 15.439 4.001 330 HD23 LEU 47 2HD2 LEU 47 16.243 15.621 3.878 331 H GLU 48 H GLU 48 16.046 12.800 -0.402 332 HA GLU 48 HA GLU 48 16.906 14.975 -1.786 333 HB2 GLU 48 1HB GLU 48 17.252 12.387 -2.169 334 HB3 GLU 48 2HB GLU 48 15.999 12.616 -3.381 335 HG2 GLU 48 1HG GLU 48 17.844 12.948 -4.662 336 HG3 GLU 48 2HG GLU 48 17.552 14.603 -4.129 337 H LYS 49 H LYS 49 13.998 13.113 -2.687 338 HA LYS 49 HA LYS 49 13.054 14.706 -4.711 339 HB2 LYS 49 1HB LYS 49 12.122 12.493 -3.694 340 HB3 LYS 49 2HB LYS 49 11.140 13.563 -2.702 341 HG2 LYS 49 1HG LYS 49 10.030 14.452 -4.582 342 HG3 LYS 49 2HG LYS 49 11.199 13.744 -5.700 343 HD2 LYS 49 1HD LYS 49 10.431 11.504 -5.084 344 HD3 LYS 49 2HD LYS 49 9.270 12.208 -3.957 345 HE2 LYS 49 1HE LYS 49 8.455 13.513 -6.067 346 HE3 LYS 49 2HE LYS 49 9.266 12.218 -6.945 347 HZ1 LYS 49 3HZ LYS 49 7.682 10.757 -6.403 348 HZ2 LYS 49 1HZ LYS 49 6.732 12.113 -6.054 349 HZ3 LYS 49 2HZ LYS 49 7.551 11.311 -4.810 350 H ALA 50 H ALA 50 12.553 15.119 -1.230 351 HA ALA 50 HA ALA 50 10.738 17.196 -1.225 352 HB1 ALA 50 1HB ALA 50 11.057 16.996 0.959 353 HB2 ALA 50 2HB ALA 50 12.460 15.970 0.654 354 HB3 ALA 50 3HB ALA 50 12.661 17.715 0.808 355 H ALA 51 H ALA 51 14.285 17.567 -1.030 356 HA ALA 51 HA ALA 51 14.429 20.309 -1.234 357 HB1 ALA 51 1HB ALA 51 16.304 18.155 -2.156 358 HB2 ALA 51 2HB ALA 51 16.695 19.866 -2.330 359 HB3 ALA 51 3HB ALA 51 16.419 19.184 -0.728 360 H VAL 52 H VAL 52 14.441 17.947 -3.896 361 HA VAL 52 HA VAL 52 14.711 19.711 -6.022 362 HB VAL 52 HB VAL 52 13.127 17.139 -5.943 363 HG11 VAL 52 1HG1 VAL 52 13.012 19.004 -7.912 364 HG12 VAL 52 2HG1 VAL 52 14.360 18.007 -8.462 365 HG13 VAL 52 3HG1 VAL 52 12.785 17.273 -8.160 366 HG21 VAL 52 3HG2 VAL 52 15.437 16.807 -5.291 367 HG22 VAL 52 1HG2 VAL 52 15.170 16.150 -6.906 368 HG23 VAL 52 2HG2 VAL 52 15.992 17.698 -6.708 369 H LYS 53 H LYS 53 11.704 18.459 -4.579 370 HA LYS 53 HA LYS 53 9.932 19.910 -6.195 371 HB2 LYS 53 1HB LYS 53 9.753 18.527 -3.564 372 HB3 LYS 53 2HB LYS 53 8.459 19.641 -3.987 373 HG2 LYS 53 1HG LYS 53 9.344 17.416 -5.801 374 HG3 LYS 53 2HG LYS 53 8.089 17.219 -4.575 375 HD2 LYS 53 1HD LYS 53 6.919 19.191 -5.644 376 HD3 LYS 53 2HD LYS 53 8.075 19.044 -6.970 377 HE2 LYS 53 1HE LYS 53 6.273 17.803 -7.730 378 HE3 LYS 53 2HE LYS 53 7.320 16.569 -7.030 379 HZ1 LYS 53 3HZ LYS 53 4.962 16.335 -6.399 380 HZ2 LYS 53 1HZ LYS 53 5.039 17.829 -5.608 381 HZ3 LYS 53 2HZ LYS 53 5.981 16.534 -5.063 382 H LYS 54 H LYS 54 10.956 20.613 -2.848 383 HA LYS 54 HA LYS 54 9.726 23.010 -2.441 384 HB2 LYS 54 1HB LYS 54 12.305 21.853 -1.512 385 HB3 LYS 54 2HB LYS 54 12.030 23.563 -1.208 386 HG2 LYS 54 1HG LYS 54 11.296 22.444 0.719 387 HG3 LYS 54 2HG LYS 54 9.830 22.886 -0.158 388 HD2 LYS 54 1HD LYS 54 9.719 20.615 -1.089 389 HD3 LYS 54 2HD LYS 54 11.167 20.179 -0.177 390 HE2 LYS 54 1HE LYS 54 8.604 21.166 1.068 391 HE3 LYS 54 2HE LYS 54 9.027 19.464 0.887 392 HZ1 LYS 54 3HZ LYS 54 9.875 21.325 2.862 393 HZ2 LYS 54 1HZ LYS 54 11.207 20.630 2.084 394 HZ3 LYS 54 2HZ LYS 54 10.053 19.643 2.829 395 H MET 55 H MET 55 13.062 22.729 -3.686 396 HA MET 55 HA MET 55 13.561 25.336 -4.304 397 HB2 MET 55 1HB MET 55 14.324 22.908 -5.936 398 HB3 MET 55 2HB MET 55 15.052 24.500 -6.106 399 HG2 MET 55 1HG MET 55 15.051 23.225 -3.423 400 HG3 MET 55 2HG MET 55 16.164 22.618 -4.647 401 HE1 MET 55 3HE MET 55 18.580 25.130 -5.424 402 HE2 MET 55 1HE MET 55 18.920 23.948 -4.160 403 HE3 MET 55 2HE MET 55 17.915 23.500 -5.539 404 H ALA 56 H ALA 56 11.629 23.046 -6.154 405 HA ALA 56 HA ALA 56 11.307 24.504 -8.507 406 HB1 ALA 56 1HB ALA 56 8.875 23.132 -7.804 407 HB2 ALA 56 2HB ALA 56 10.047 22.764 -9.070 408 HB3 ALA 56 3HB ALA 56 10.285 22.137 -7.439 409 H LYS 57 H LYS 57 9.081 24.375 -5.718 410 HA LYS 57 HA LYS 57 7.179 26.153 -6.439 411 HB2 LYS 57 1HB LYS 57 8.515 26.002 -3.731 412 HB3 LYS 57 2HB LYS 57 6.965 26.770 -4.047 413 HG2 LYS 57 1HG LYS 57 5.876 24.774 -4.337 414 HG3 LYS 57 2HG LYS 57 7.343 23.920 -4.821 415 HD2 LYS 57 1HD LYS 57 6.815 23.111 -2.668 416 HD3 LYS 57 2HD LYS 57 8.147 24.245 -2.436 417 HE2 LYS 57 1HE LYS 57 6.758 24.965 -0.780 418 HE3 LYS 57 2HE LYS 57 6.151 25.953 -2.108 419 HZ1 LYS 57 3HZ LYS 57 4.721 23.653 -2.316 420 HZ2 LYS 57 1HZ LYS 57 4.178 25.088 -1.603 421 HZ3 LYS 57 2HZ LYS 57 4.842 23.865 -0.642 422 H ALA 58 H ALA 58 10.127 27.144 -4.685 423 HA ALA 58 HA ALA 58 9.814 29.864 -4.769 424 HB1 ALA 58 1HB ALA 58 11.630 29.198 -3.528 425 HB2 ALA 58 2HB ALA 58 12.223 28.106 -4.779 426 HB3 ALA 58 3HB ALA 58 12.421 29.849 -4.964 427 H ILE 59 H ILE 59 11.205 27.792 -7.289 428 HA ILE 59 HA ILE 59 11.957 29.837 -9.060 429 HB ILE 59 HB ILE 59 11.140 26.995 -9.674 430 HG12 ILE 59 1HG1 ILE 59 13.932 28.119 -9.555 431 HG13 ILE 59 2HG1 ILE 59 13.137 27.472 -8.125 432 HG21 ILE 59 1HG2 ILE 59 11.487 27.367 -11.842 433 HG22 ILE 59 2HG2 ILE 59 11.442 29.088 -11.462 434 HG23 ILE 59 3HG2 ILE 59 12.986 28.240 -11.526 435 HD11 ILE 59 3HD1 ILE 59 12.919 25.621 -10.305 436 HD12 ILE 59 1HD1 ILE 59 14.603 26.074 -10.040 437 HD13 ILE 59 2HD1 ILE 59 13.650 25.405 -8.715 438 H MET 60 H MET 60 9.020 27.815 -9.027 439 HA MET 60 HA MET 60 7.659 28.725 -11.175 440 HB2 MET 60 1HB MET 60 6.479 28.315 -8.422 441 HB3 MET 60 2HB MET 60 5.570 28.339 -9.927 442 HG2 MET 60 1HG MET 60 7.813 26.413 -9.679 443 HG3 MET 60 2HG MET 60 6.328 26.088 -8.788 444 HE1 MET 60 3HE MET 60 4.841 24.368 -9.778 445 HE2 MET 60 1HE MET 60 3.940 25.875 -9.945 446 HE3 MET 60 2HE MET 60 3.963 24.710 -11.269 447 H ALA 61 H ALA 61 7.847 30.375 -8.039 448 HA ALA 61 HA ALA 61 6.322 32.633 -9.004 449 HB1 ALA 61 1HB ALA 61 6.047 31.974 -6.702 450 HB2 ALA 61 2HB ALA 61 7.773 32.179 -6.401 451 HB3 ALA 61 3HB ALA 61 6.768 33.582 -6.766 452 H ASP 62 H ASP 62 9.604 32.306 -7.635 453 HA ASP 62 HA ASP 62 10.391 34.761 -9.005 454 HB2 ASP 62 1HB ASP 62 11.753 33.065 -6.909 455 HB3 ASP 62 2HB ASP 62 12.524 34.449 -7.680 456 HA PRO 63 HA PRO 63 12.007 32.064 -12.232 457 HB2 PRO 63 1HB PRO 63 12.451 34.078 -13.998 458 HB3 PRO 63 2HB PRO 63 10.855 33.365 -13.736 459 HG2 PRO 63 1HG PRO 63 12.004 35.896 -12.626 460 HG3 PRO 63 2HG PRO 63 10.383 35.595 -13.278 461 HD2 PRO 63 1HD PRO 63 10.894 35.664 -10.620 462 HD3 PRO 63 2HD PRO 63 9.641 34.623 -11.325 463 H ASN 64 H ASN 64 13.441 34.893 -10.766 464 HA ASN 64 HA ASN 64 15.983 34.757 -11.975 465 HB2 ASN 64 1HB ASN 64 16.702 36.009 -9.851 466 HB3 ASN 64 2HB ASN 64 15.480 36.773 -10.864 467 HD21 ASN 64 1HD2 ASN 64 16.237 35.544 -7.790 468 HD22 ASN 64 2HD2 ASN 64 14.697 35.797 -7.048 469 H LYS 65 H LYS 65 14.574 33.114 -9.219 470 HA LYS 65 HA LYS 65 16.953 32.077 -8.116 471 HB2 LYS 65 1HB LYS 65 14.053 31.425 -7.915 472 HB3 LYS 65 2HB LYS 65 15.204 30.222 -7.349 473 HG2 LYS 65 1HG LYS 65 15.246 33.080 -6.422 474 HG3 LYS 65 2HG LYS 65 14.315 31.816 -5.615 475 HD2 LYS 65 1HD LYS 65 17.278 31.628 -6.126 476 HD3 LYS 65 2HD LYS 65 16.587 32.272 -4.635 477 HE2 LYS 65 1HE LYS 65 15.249 29.986 -4.712 478 HE3 LYS 65 2HE LYS 65 16.645 29.484 -5.665 479 HZ1 LYS 65 3HZ LYS 65 16.461 30.110 -2.836 480 HZ2 LYS 65 1HZ LYS 65 17.848 30.681 -3.619 481 HZ3 LYS 65 2HZ LYS 65 17.483 29.030 -3.643 482 H ALA 66 H ALA 66 14.769 30.881 -10.614 483 HA ALA 66 HA ALA 66 15.468 28.310 -10.992 484 HB1 ALA 66 1HB ALA 66 14.061 29.990 -12.462 485 HB2 ALA 66 2HB ALA 66 15.531 30.000 -13.437 486 HB3 ALA 66 3HB ALA 66 14.686 28.483 -13.130 487 H ASP 67 H ASP 67 17.282 30.989 -12.504 488 HA ASP 67 HA ASP 67 19.332 29.645 -13.663 489 HB2 ASP 67 1HB ASP 67 18.876 32.220 -13.375 490 HB3 ASP 67 2HB ASP 67 20.026 32.068 -12.049 491 H GLU 68 H GLU 68 19.470 30.868 -10.311 492 HA GLU 68 HA GLU 68 21.873 29.646 -9.610 493 HB2 GLU 68 1HB GLU 68 20.942 31.362 -8.212 494 HB3 GLU 68 2HB GLU 68 19.493 30.411 -7.917 495 HG2 GLU 68 1HG GLU 68 20.569 28.976 -6.463 496 HG3 GLU 68 2HG GLU 68 22.165 29.357 -7.107 497 H VAL 69 H VAL 69 18.548 28.499 -9.041 498 HA VAL 69 HA VAL 69 19.088 26.121 -7.763 499 HB VAL 69 HB VAL 69 16.908 26.700 -9.771 500 HG11 VAL 69 1HG1 VAL 69 17.606 24.256 -8.328 501 HG12 VAL 69 2HG1 VAL 69 15.933 24.768 -8.097 502 HG13 VAL 69 3HG1 VAL 69 16.554 24.489 -9.725 503 HG21 VAL 69 3HG2 VAL 69 15.528 27.187 -7.881 504 HG22 VAL 69 1HG2 VAL 69 16.782 26.655 -6.761 505 HG23 VAL 69 2HG2 VAL 69 17.014 28.121 -7.713 506 H TYR 70 H TYR 70 18.373 26.344 -11.253 507 HA TYR 70 HA TYR 70 18.926 23.881 -12.126 508 HB2 TYR 70 1HB TYR 70 19.874 26.456 -13.395 509 HB3 TYR 70 2HB TYR 70 19.872 24.899 -14.215 510 HD1 TYR 70 1HD TYR 70 17.295 23.772 -13.319 511 HD2 TYR 70 2HD TYR 70 18.289 27.724 -14.542 512 HE1 TYR 70 1HE TYR 70 14.963 24.138 -14.013 513 HE2 TYR 70 2HE TYR 70 15.961 28.101 -15.239 514 HH TYR 70 HH TYR 70 13.981 27.088 -15.670 515 H LYS 71 H LYS 71 21.485 26.340 -11.758 516 HA LYS 71 HA LYS 71 23.668 24.746 -12.339 517 HB2 LYS 71 1HB LYS 71 23.485 27.015 -10.348 518 HB3 LYS 71 2HB LYS 71 24.987 26.340 -10.965 519 HG2 LYS 71 1HG LYS 71 24.369 27.027 -13.226 520 HG3 LYS 71 2HG LYS 71 22.862 27.704 -12.607 521 HD2 LYS 71 1HD LYS 71 24.154 29.591 -12.637 522 HD3 LYS 71 2HD LYS 71 24.515 29.009 -11.011 523 HE2 LYS 71 1HE LYS 71 26.603 29.538 -11.943 524 HE3 LYS 71 2HE LYS 71 26.484 27.783 -12.063 525 HZ1 LYS 71 3HZ LYS 71 25.561 29.382 -14.334 526 HZ2 LYS 71 1HZ LYS 71 26.291 27.856 -14.313 527 HZ3 LYS 71 2HZ LYS 71 27.229 29.245 -14.092 528 H LYS 72 H LYS 72 22.060 25.240 -9.218 529 HA LYS 72 HA LYS 72 23.820 23.706 -7.659 530 HB2 LYS 72 1HB LYS 72 20.896 24.368 -7.315 531 HB3 LYS 72 2HB LYS 72 21.827 23.495 -6.105 532 HG2 LYS 72 1HG LYS 72 23.154 25.343 -5.614 533 HG3 LYS 72 2HG LYS 72 22.731 26.163 -7.119 534 HD2 LYS 72 1HD LYS 72 21.451 27.327 -5.599 535 HD3 LYS 72 2HD LYS 72 20.309 26.091 -6.131 536 HE2 LYS 72 1HE LYS 72 20.808 24.749 -4.175 537 HE3 LYS 72 2HE LYS 72 22.035 25.907 -3.664 538 HZ1 LYS 72 3HZ LYS 72 20.495 27.161 -2.705 539 HZ2 LYS 72 1HZ LYS 72 19.381 25.915 -2.968 540 HZ3 LYS 72 2HZ LYS 72 19.523 27.174 -4.089 541 H TRP 73 H TRP 73 20.620 22.783 -8.945 542 HA TRP 73 HA TRP 73 20.525 20.163 -8.213 543 HB2 TRP 73 1HB TRP 73 19.528 21.611 -10.634 544 HB3 TRP 73 2HB TRP 73 19.370 19.858 -10.562 545 HD1 TRP 73 HD TRP 73 18.762 19.905 -7.304 546 HE1 TRP 73 1HE TRP 73 16.379 20.549 -6.575 547 HE3 TRP 73 3HE TRP 73 17.241 22.319 -11.546 548 HZ2 TRP 73 2HZ TRP 73 14.149 21.902 -7.655 549 HZ3 TRP 73 3HZ TRP 73 14.968 23.259 -11.617 550 HH2 TRP 73 HH TRP 73 13.456 23.053 -9.711 551 H ALA 74 H ALA 74 21.756 21.216 -11.396 552 HA ALA 74 HA ALA 74 22.777 18.814 -12.260 553 HB1 ALA 74 1HB ALA 74 23.727 21.623 -12.760 554 HB2 ALA 74 2HB ALA 74 24.417 20.221 -13.579 555 HB3 ALA 74 3HB ALA 74 22.710 20.612 -13.787 556 H ASP 75 H ASP 75 24.287 21.188 -10.127 557 HA ASP 75 HA ASP 75 26.840 20.000 -10.016 558 HB2 ASP 75 1HB ASP 75 25.336 21.969 -8.363 559 HB3 ASP 75 2HB ASP 75 26.757 21.216 -7.644 560 H LYS 76 H LYS 76 23.928 19.548 -8.064 561 HA LYS 76 HA LYS 76 24.945 17.948 -6.045 562 HB2 LYS 76 1HB LYS 76 22.243 17.744 -7.389 563 HB3 LYS 76 2HB LYS 76 22.659 17.039 -5.832 564 HG2 LYS 76 1HG LYS 76 22.958 19.977 -6.302 565 HG3 LYS 76 2HG LYS 76 21.389 19.278 -5.895 566 HD2 LYS 76 1HD LYS 76 23.854 18.758 -4.252 567 HD3 LYS 76 2HD LYS 76 22.807 20.150 -3.964 568 HE2 LYS 76 1HE LYS 76 20.923 18.695 -3.554 569 HE3 LYS 76 2HE LYS 76 21.885 17.278 -3.971 570 HZ1 LYS 76 3HZ LYS 76 21.579 18.414 -1.473 571 HZ2 LYS 76 1HZ LYS 76 23.164 18.778 -1.939 572 HZ3 LYS 76 2HZ LYS 76 22.640 17.170 -1.906 573 H GLY 77 H GLY 77 23.613 16.929 -9.190 574 HA2 GLY 77 1HA GLY 77 25.042 15.163 -10.287 575 HA3 GLY 77 2HA GLY 77 24.898 14.304 -8.761 576 H TYR 78 H TYR 78 22.412 16.086 -10.549 577 HA TYR 78 HA TYR 78 20.828 13.610 -10.621 578 HB2 TYR 78 1HB TYR 78 19.874 16.469 -10.877 579 HB3 TYR 78 2HB TYR 78 18.858 15.035 -10.780 580 HD1 TYR 78 1HD TYR 78 20.044 13.514 -8.604 581 HD2 TYR 78 2HD TYR 78 19.468 17.715 -8.965 582 HE1 TYR 78 1HE TYR 78 19.992 13.712 -6.153 583 HE2 TYR 78 2HE TYR 78 19.417 17.924 -6.515 584 HH TYR 78 HH TYR 78 20.398 15.443 -4.436 585 H THR 79 H THR 79 19.138 13.728 -12.510 586 HA THR 79 HA THR 79 20.109 14.907 -14.951 587 HB THR 79 HB THR 79 21.535 12.864 -14.720 588 HG1 THR 79 1HG THR 79 21.234 12.297 -16.871 589 HG21 THR 79 3HG2 THR 79 20.186 10.721 -15.400 590 HG22 THR 79 1HG2 THR 79 18.839 11.577 -14.650 591 HG23 THR 79 2HG2 THR 79 20.284 11.209 -13.708 592 H LEU 80 H LEU 80 18.684 14.424 -16.798 593 HA LEU 80 HA LEU 80 16.092 14.946 -16.475 594 HB2 LEU 80 1HB LEU 80 17.222 12.971 -18.450 595 HB3 LEU 80 2HB LEU 80 15.611 13.677 -18.556 596 HG LEU 80 HG LEU 80 18.130 15.327 -18.598 597 HD11 LEU 80 1HD1 LEU 80 17.743 15.447 -21.059 598 HD12 LEU 80 2HD1 LEU 80 16.586 14.128 -20.889 599 HD13 LEU 80 3HD1 LEU 80 18.282 13.869 -20.483 600 HD21 LEU 80 3HD2 LEU 80 16.794 17.111 -19.134 601 HD22 LEU 80 1HD2 LEU 80 15.717 16.213 -18.063 602 HD23 LEU 80 2HD2 LEU 80 15.520 16.097 -19.812 603 H THR 81 H THR 81 17.470 11.691 -16.257 604 HA THR 81 HA THR 81 15.089 10.268 -15.910 605 HB THR 81 HB THR 81 17.822 9.650 -14.770 606 HG1 THR 81 1HG THR 81 18.270 9.035 -16.739 607 HG21 THR 81 3HG2 THR 81 15.376 7.917 -15.120 608 HG22 THR 81 1HG2 THR 81 16.160 8.355 -13.603 609 HG23 THR 81 2HG2 THR 81 16.986 7.302 -14.751 610 H GLN 82 H GLN 82 17.373 11.344 -13.384 611 HA GLN 82 HA GLN 82 15.646 10.692 -11.238 612 HB2 GLN 82 1HB GLN 82 17.987 12.602 -11.325 613 HB3 GLN 82 2HB GLN 82 17.211 12.018 -9.859 614 HG2 GLN 82 1HG GLN 82 18.862 10.487 -11.835 615 HG3 GLN 82 2HG GLN 82 19.135 10.713 -10.109 616 HE21 GLN 82 1HE2 GLN 82 17.802 8.737 -12.495 617 HE22 GLN 82 2HE2 GLN 82 16.991 7.614 -11.463 618 H MET 83 H MET 83 16.601 13.881 -12.528 619 HA MET 83 HA MET 83 15.070 15.555 -11.062 620 HB2 MET 83 1HB MET 83 16.537 16.326 -12.856 621 HB3 MET 83 2HB MET 83 15.435 15.674 -14.061 622 HG2 MET 83 1HG MET 83 15.201 18.083 -13.849 623 HG3 MET 83 2HG MET 83 13.722 17.248 -13.380 624 HE1 MET 83 3HE MET 83 16.946 18.049 -10.571 625 HE2 MET 83 1HE MET 83 17.022 18.436 -12.290 626 HE3 MET 83 2HE MET 83 16.651 19.700 -11.118 627 H SER 84 H SER 84 13.882 14.264 -14.172 628 HA SER 84 HA SER 84 11.262 15.059 -13.965 629 HB2 SER 84 1HB SER 84 10.718 13.334 -15.576 630 HB3 SER 84 2HB SER 84 12.306 13.993 -15.969 631 HG SER 84 HG SER 84 11.781 11.510 -15.699 632 H ASN 85 H ASN 85 12.648 11.980 -12.845 633 HA ASN 85 HA ASN 85 10.386 10.752 -11.881 634 HB2 ASN 85 1HB ASN 85 13.258 10.695 -11.030 635 HB3 ASN 85 2HB ASN 85 12.056 9.844 -10.064 636 HD21 ASN 85 1HD2 ASN 85 12.963 7.851 -10.559 637 HD22 ASN 85 2HD2 ASN 85 12.776 7.119 -12.113 638 H PHE 86 H PHE 86 12.312 13.283 -10.369 639 HA PHE 86 HA PHE 86 10.896 13.208 -7.882 640 HB2 PHE 86 1HB PHE 86 12.698 15.335 -9.058 641 HB3 PHE 86 2HB PHE 86 12.110 15.313 -7.398 642 HD1 PHE 86 1HD PHE 86 12.410 12.492 -6.681 643 HD2 PHE 86 2HD PHE 86 14.987 15.048 -8.904 644 HE1 PHE 86 1HE PHE 86 14.340 11.118 -6.016 645 HE2 PHE 86 2HE PHE 86 16.921 13.678 -8.243 646 HZ PHE 86 HZ PHE 86 16.599 11.710 -6.798 647 H LEU 87 H LEU 87 10.735 15.177 -10.809 648 HA LEU 87 HA LEU 87 8.431 16.621 -9.717 649 HB2 LEU 87 1HB LEU 87 10.020 17.111 -12.231 650 HB3 LEU 87 2HB LEU 87 8.705 18.120 -11.634 651 HG LEU 87 HG LEU 87 11.197 17.666 -10.020 652 HD11 LEU 87 1HD1 LEU 87 10.772 19.984 -11.887 653 HD12 LEU 87 2HD1 LEU 87 11.708 18.557 -12.331 654 HD13 LEU 87 3HD1 LEU 87 12.223 19.562 -10.977 655 HD21 LEU 87 3HD2 LEU 87 9.021 19.748 -10.045 656 HD22 LEU 87 1HD2 LEU 87 10.514 19.902 -9.119 657 HD23 LEU 87 2HD2 LEU 87 9.392 18.587 -8.769 658 H LYS 88 H LYS 88 8.220 13.849 -10.498 659 HA LYS 88 HA LYS 88 6.826 13.810 -13.033 660 HB2 LYS 88 1HB LYS 88 6.552 11.440 -12.643 661 HB3 LYS 88 2HB LYS 88 8.211 11.897 -12.278 662 HG2 LYS 88 1HG LYS 88 7.563 11.996 -9.865 663 HG3 LYS 88 2HG LYS 88 6.002 11.312 -10.322 664 HD2 LYS 88 1HD LYS 88 8.533 9.954 -11.155 665 HD3 LYS 88 2HD LYS 88 7.915 9.741 -9.516 666 HE2 LYS 88 1HE LYS 88 6.158 9.326 -11.911 667 HE3 LYS 88 2HE LYS 88 7.218 8.046 -11.324 668 HZ1 LYS 88 3HZ LYS 88 6.109 8.508 -9.077 669 HZ2 LYS 88 1HZ LYS 88 5.228 7.650 -10.239 670 HZ3 LYS 88 2HZ LYS 88 4.909 9.290 -9.976 671 H SER 89 H SER 89 5.662 15.604 -11.236 672 HA SER 89 HA SER 89 3.452 14.454 -9.859 673 HB2 SER 89 1HB SER 89 4.624 16.818 -9.622 674 HB3 SER 89 2HB SER 89 3.387 17.296 -10.785 675 HG SER 89 HG SER 89 2.840 17.466 -8.471 676 H LYS 90 H LYS 90 2.913 13.090 -11.839 677 HA LYS 90 HA LYS 90 1.922 13.766 -14.212 678 HB2 LYS 90 1HB LYS 90 1.755 11.519 -12.901 679 HB3 LYS 90 2HB LYS 90 0.149 12.090 -12.465 680 HG2 LYS 90 1HG LYS 90 -0.652 11.897 -14.599 681 HG3 LYS 90 2HG LYS 90 0.939 12.112 -15.333 682 HD2 LYS 90 1HD LYS 90 0.385 9.690 -13.669 683 HD3 LYS 90 2HD LYS 90 -0.198 9.761 -15.334 684 HE2 LYS 90 1HE LYS 90 2.660 10.363 -14.642 685 HE3 LYS 90 2HE LYS 90 2.104 8.709 -14.899 686 HZ1 LYS 90 3HZ LYS 90 1.140 10.203 -17.021 687 HZ2 LYS 90 1HZ LYS 90 2.376 9.047 -17.056 688 HZ3 LYS 90 2HZ LYS 90 2.750 10.679 -16.818 689 H THR 91 H THR 91 1.125 15.836 -14.416 690 HA THR 91 HA THR 91 -1.667 16.165 -13.693 691 HB THR 91 HB THR 91 0.468 18.064 -12.718 692 HG1 THR 91 1HG THR 91 0.007 17.208 -10.838 693 HG21 THR 91 3HG2 THR 91 -1.015 19.683 -13.226 694 HG22 THR 91 1HG2 THR 91 -1.881 19.094 -11.807 695 HG23 THR 91 2HG2 THR 91 -2.346 18.543 -13.417 696 H ALA 92 H ALA 92 -2.773 17.604 -15.010 697 HA ALA 92 HA ALA 92 -2.254 17.872 -17.604 698 HB1 ALA 92 1HB ALA 92 -3.995 19.150 -15.814 699 HB2 ALA 92 2HB ALA 92 -3.260 20.427 -16.783 700 HB3 ALA 92 3HB ALA 92 -4.104 19.096 -17.573 701 H GLY 93 H GLY 93 -0.842 19.917 -15.101 702 HA2 GLY 93 1HA GLY 93 1.433 20.516 -16.691 703 HA3 GLY 93 2HA GLY 93 0.331 21.885 -16.667 704 H LYS 94 H LYS 94 2.492 19.899 -14.786 705 HA LYS 94 HA LYS 94 2.554 22.008 -12.743 706 HB2 LYS 94 1HB LYS 94 1.261 19.803 -12.137 707 HB3 LYS 94 2HB LYS 94 2.879 19.146 -11.925 708 HG2 LYS 94 1HG LYS 94 3.329 20.470 -10.104 709 HG3 LYS 94 2HG LYS 94 2.162 21.706 -10.580 710 HD2 LYS 94 1HD LYS 94 0.336 20.107 -10.059 711 HD3 LYS 94 2HD LYS 94 1.548 18.969 -9.468 712 HE2 LYS 94 1HE LYS 94 2.130 20.355 -7.667 713 HE3 LYS 94 2HE LYS 94 1.350 21.762 -8.387 714 HZ1 LYS 94 3HZ LYS 94 0.206 19.622 -6.808 715 HZ2 LYS 94 1HZ LYS 94 -0.713 20.082 -8.152 716 HZ3 LYS 94 2HZ LYS 94 -0.295 21.229 -6.982 717 H TYR 95 H TYR 95 4.548 22.671 -12.233 718 HA TYR 95 HA TYR 95 6.813 22.876 -12.258 719 HB2 TYR 95 1HB TYR 95 6.846 19.855 -12.232 720 HB3 TYR 95 2HB TYR 95 8.115 20.937 -11.671 721 HD1 TYR 95 1HD TYR 95 7.295 22.651 -9.790 722 HD2 TYR 95 2HD TYR 95 5.483 18.896 -10.640 723 HE1 TYR 95 1HE TYR 95 6.336 22.608 -7.525 724 HE2 TYR 95 2HE TYR 95 4.519 18.843 -8.378 725 HH TYR 95 HH TYR 95 4.651 21.591 -6.258 726 H ASP 96 H ASP 96 5.414 22.759 -14.784 727 HA ASP 96 HA ASP 96 6.914 21.209 -16.648 728 HB2 ASP 96 1HB ASP 96 4.958 23.482 -16.919 729 HB3 ASP 96 2HB ASP 96 5.806 22.832 -18.320 730 H ARG 97 H ARG 97 6.869 24.687 -15.878 731 HA ARG 97 HA ARG 97 8.931 25.441 -17.613 732 HB2 ARG 97 1HB ARG 97 7.937 26.652 -15.036 733 HB3 ARG 97 2HB ARG 97 9.185 27.406 -16.019 734 HG2 ARG 97 1HG ARG 97 7.627 27.536 -17.898 735 HG3 ARG 97 2HG ARG 97 6.376 26.784 -16.907 736 HD2 ARG 97 1HD ARG 97 7.767 29.317 -16.084 737 HD3 ARG 97 2HD ARG 97 6.337 29.326 -17.115 738 HE ARG 97 HE ARG 97 6.421 28.871 -14.295 739 HH11 ARG 97 2HH1 ARG 97 4.684 28.135 -17.221 740 HH12 ARG 97 1HH1 ARG 97 3.185 27.829 -16.408 741 HH21 ARG 97 2HH2 ARG 97 4.453 28.471 -13.214 742 HH22 ARG 97 1HH2 ARG 97 3.054 28.021 -14.129 743 H VAL 98 H VAL 98 9.026 24.470 -14.202 744 HA VAL 98 HA VAL 98 11.725 24.907 -13.700 745 HB VAL 98 HB VAL 98 9.995 22.692 -12.589 746 HG11 VAL 98 1HG1 VAL 98 12.564 22.590 -12.331 747 HG12 VAL 98 2HG1 VAL 98 12.343 23.930 -11.203 748 HG13 VAL 98 3HG1 VAL 98 11.557 22.380 -10.899 749 HG21 VAL 98 3HG2 VAL 98 10.451 24.901 -10.813 750 HG22 VAL 98 1HG2 VAL 98 9.746 25.473 -12.326 751 HG23 VAL 98 2HG2 VAL 98 8.926 24.225 -11.387 752 H TYR 99 H TYR 99 10.127 21.986 -14.946 753 HA TYR 99 HA TYR 99 12.487 20.446 -15.167 754 HB2 TYR 99 1HB TYR 99 10.230 19.455 -15.126 755 HB3 TYR 99 2HB TYR 99 9.889 20.176 -16.696 756 HD1 TYR 99 1HD TYR 99 12.203 17.804 -14.996 757 HD2 TYR 99 2HD TYR 99 10.393 19.009 -18.653 758 HE1 TYR 99 1HE TYR 99 13.128 15.812 -16.104 759 HE2 TYR 99 2HE TYR 99 11.311 17.020 -19.770 760 HH TYR 99 HH TYR 99 13.696 15.359 -18.898 761 H ASN 100 H ASN 100 10.636 22.299 -17.575 762 HA ASN 100 HA ASN 100 12.066 21.774 -19.847 763 HB2 ASN 100 1HB ASN 100 10.280 23.139 -20.299 764 HB3 ASN 100 2HB ASN 100 10.544 24.137 -18.873 765 HD21 ASN 100 1HD2 ASN 100 10.720 26.135 -19.622 766 HD22 ASN 100 2HD2 ASN 100 11.801 26.648 -20.869 767 H GLY 101 H GLY 101 12.724 24.506 -17.640 768 HA2 GLY 101 1HA GLY 101 15.000 25.504 -18.792 769 HA3 GLY 101 2HA GLY 101 14.716 25.502 -17.058 770 H TYR 102 H TYR 102 14.972 23.026 -16.225 771 HA TYR 102 HA TYR 102 17.651 22.524 -16.034 772 HB2 TYR 102 1HB TYR 102 15.832 21.467 -14.665 773 HB3 TYR 102 2HB TYR 102 15.532 20.368 -16.006 774 HD1 TYR 102 1HD TYR 102 18.638 21.601 -14.322 775 HD2 TYR 102 2HD TYR 102 16.304 18.253 -15.522 776 HE1 TYR 102 1HE TYR 102 20.377 20.089 -13.463 777 HE2 TYR 102 2HE TYR 102 18.035 16.731 -14.665 778 HH TYR 102 HH TYR 102 21.140 17.745 -13.864 779 H VAL 103 H VAL 103 15.409 20.794 -18.204 780 HA VAL 103 HA VAL 103 17.005 19.086 -19.519 781 HB VAL 103 HB VAL 103 15.010 20.941 -20.824 782 HG11 VAL 103 1HG1 VAL 103 14.926 18.867 -22.435 783 HG12 VAL 103 2HG1 VAL 103 16.120 20.145 -22.667 784 HG13 VAL 103 3HG1 VAL 103 16.582 18.639 -21.874 785 HG21 VAL 103 3HG2 VAL 103 14.128 19.527 -19.001 786 HG22 VAL 103 1HG2 VAL 103 13.447 19.113 -20.575 787 HG23 VAL 103 2HG2 VAL 103 14.701 18.098 -19.861 788 H ILE 104 H ILE 104 16.611 22.456 -20.632 789 HA ILE 104 HA ILE 104 18.722 22.342 -22.498 790 HB ILE 104 HB ILE 104 17.458 24.727 -21.147 791 HG12 ILE 104 1HG1 ILE 104 16.592 24.858 -23.662 792 HG13 ILE 104 2HG1 ILE 104 16.867 23.121 -23.589 793 HG21 ILE 104 1HG2 ILE 104 19.533 24.522 -23.292 794 HG22 ILE 104 2HG2 ILE 104 18.416 25.885 -23.254 795 HG23 ILE 104 3HG2 ILE 104 19.483 25.582 -21.883 796 HD11 ILE 104 3HD1 ILE 104 14.539 23.989 -23.033 797 HD12 ILE 104 1HD1 ILE 104 15.263 22.823 -21.926 798 HD13 ILE 104 2HD1 ILE 104 15.242 24.537 -21.512 799 H HIS 105 H HIS 105 18.568 23.586 -19.177 800 HA HIS 105 HA HIS 105 21.008 24.742 -18.867 801 HB2 HIS 105 1HB HIS 105 19.339 24.587 -17.070 802 HB3 HIS 105 2HB HIS 105 19.683 22.869 -16.894 803 HD1 HIS 105 1HD HIS 105 21.191 26.252 -16.253 804 HD2 HIS 105 2HD HIS 105 21.924 22.256 -15.389 805 HE1 HIS 105 1HE HIS 105 23.031 26.262 -14.538 806 HE2 HIS 105 2HE HIS 105 23.516 23.831 -14.094 807 H LEU 106 H LEU 106 20.350 21.261 -18.485 808 HA LEU 106 HA LEU 106 23.024 20.507 -18.030 809 HB2 LEU 106 1HB LEU 106 20.563 19.060 -18.917 810 HB3 LEU 106 2HB LEU 106 22.121 18.237 -18.929 811 HG LEU 106 HG LEU 106 20.762 19.431 -16.513 812 HD11 LEU 106 1HD1 LEU 106 20.851 16.924 -15.867 813 HD12 LEU 106 2HD1 LEU 106 20.989 16.657 -17.604 814 HD13 LEU 106 3HD1 LEU 106 19.581 17.493 -16.950 815 HD21 LEU 106 3HD2 LEU 106 22.824 17.686 -15.771 816 HD22 LEU 106 1HD2 LEU 106 22.772 19.438 -15.571 817 HD23 LEU 106 2HD2 LEU 106 23.504 18.737 -17.015 818 H ASP 107 H ASP 107 21.260 21.211 -20.929 819 HA ASP 107 HA ASP 107 22.575 19.861 -22.900 820 HB2 ASP 107 1HB ASP 107 20.710 21.614 -23.102 821 HB3 ASP 107 2HB ASP 107 22.004 22.807 -23.164 822 H TYR 108 H TYR 108 23.824 22.399 -20.887 823 HA TYR 108 HA TYR 108 25.966 23.326 -22.375 824 HB2 TYR 108 1HB TYR 108 26.782 24.233 -20.410 825 HB3 TYR 108 2HB TYR 108 25.093 23.977 -19.987 826 HD1 TYR 108 1HD TYR 108 24.606 21.577 -18.932 827 HD2 TYR 108 2HD TYR 108 28.385 23.533 -18.907 828 HE1 TYR 108 1HE TYR 108 25.292 20.214 -17.003 829 HE2 TYR 108 2HE TYR 108 29.082 22.175 -16.979 830 HH TYR 108 HH TYR 108 26.848 20.146 -15.257 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.439 68.417 36.327 2 HA2 GLY 1 1HA GLY 1 1.826 70.572 35.900 3 HA3 GLY 1 2HA GLY 1 2.205 70.386 37.606 4 H SER 2 H SER 2 2.649 67.759 37.929 5 HA SER 2 HA SER 2 5.137 67.399 36.481 6 HB2 SER 2 1HB SER 2 4.625 66.992 39.046 7 HB3 SER 2 2HB SER 2 4.135 65.400 38.467 8 HG SER 2 HG SER 2 6.262 65.382 37.390 9 H SER 3 H SER 3 5.717 65.300 35.558 10 HA SER 3 HA SER 3 3.531 63.566 34.752 11 HB2 SER 3 1HB SER 3 5.074 65.286 32.818 12 HB3 SER 3 2HB SER 3 4.323 63.773 32.309 13 HG SER 3 HG SER 3 2.392 64.835 33.473 14 H GLY 4 H GLY 4 4.554 61.885 33.069 15 HA2 GLY 4 1HA GLY 4 7.285 61.211 33.919 16 HA3 GLY 4 2HA GLY 4 6.007 60.029 34.163 17 H SER 5 H SER 5 7.283 58.620 32.807 18 HA SER 5 HA SER 5 6.579 58.951 30.000 19 HB2 SER 5 1HB SER 5 8.790 58.638 29.157 20 HB3 SER 5 2HB SER 5 8.899 59.919 30.364 21 HG SER 5 HG SER 5 10.220 58.709 31.443 22 H SER 6 H SER 6 7.470 56.884 28.778 23 HA SER 6 HA SER 6 6.537 54.599 30.360 24 HB2 SER 6 1HB SER 6 5.639 55.355 27.982 25 HB3 SER 6 2HB SER 6 7.015 54.408 27.416 26 HG SER 6 HG SER 6 5.358 53.267 29.349 27 H GLY 7 H GLY 7 7.570 52.436 29.452 28 HA2 GLY 7 1HA GLY 7 10.437 52.724 28.989 29 HA3 GLY 7 2HA GLY 7 9.958 51.946 30.489 30 H ASN 8 H ASN 8 11.279 51.104 27.815 31 HA ASN 8 HA ASN 8 10.388 48.434 27.854 32 HB2 ASN 8 1HB ASN 8 8.463 49.673 26.661 33 HB3 ASN 8 2HB ASN 8 9.581 49.821 25.308 34 HD21 ASN 8 1HD2 ASN 8 8.437 47.347 27.582 35 HD22 ASN 8 2HD2 ASN 8 8.268 46.098 26.400 36 H VAL 9 H VAL 9 11.649 47.073 26.543 37 HA VAL 9 HA VAL 9 13.790 48.394 25.015 38 HB VAL 9 HB VAL 9 14.176 46.058 26.892 39 HG11 VAL 9 1HG1 VAL 9 16.080 45.641 25.831 40 HG12 VAL 9 2HG1 VAL 9 15.650 46.856 24.626 41 HG13 VAL 9 3HG1 VAL 9 16.598 47.314 26.042 42 HG21 VAL 9 3HG2 VAL 9 14.193 47.723 28.418 43 HG22 VAL 9 1HG2 VAL 9 15.826 47.985 27.804 44 HG23 VAL 9 2HG2 VAL 9 14.491 48.972 27.209 45 H ASP 10 H ASP 10 12.567 45.128 25.778 46 HA ASP 10 HA ASP 10 11.783 44.557 23.127 47 HB2 ASP 10 1HB ASP 10 13.506 42.935 22.504 48 HB3 ASP 10 2HB ASP 10 14.211 44.533 22.728 49 H SER 11 H SER 11 11.144 42.270 22.852 50 HA SER 11 HA SER 11 11.133 40.458 25.024 51 HB2 SER 11 1HB SER 11 8.848 42.355 24.793 52 HB3 SER 11 2HB SER 11 8.472 40.673 25.169 53 HG SER 11 HG SER 11 10.522 41.916 26.603 54 H ASN 12 H ASN 12 9.942 38.506 24.559 55 HA ASN 12 HA ASN 12 9.231 36.833 23.194 56 HB2 ASN 12 1HB ASN 12 7.274 38.238 22.819 57 HB3 ASN 12 2HB ASN 12 8.128 39.132 21.565 58 HD21 ASN 12 1HD2 ASN 12 6.990 38.653 19.798 59 HD22 ASN 12 2HD2 ASN 12 6.710 37.056 19.203 60 H GLN 13 H GLN 13 11.874 37.632 22.924 61 HA GLN 13 HA GLN 13 12.339 37.275 20.036 62 HB2 GLN 13 1HB GLN 13 13.705 38.973 22.062 63 HB3 GLN 13 2HB GLN 13 14.702 38.238 20.813 64 HG2 GLN 13 1HG GLN 13 12.977 39.223 19.172 65 HG3 GLN 13 2HG GLN 13 12.500 40.239 20.531 66 HE21 GLN 13 1HE2 GLN 13 14.307 41.419 21.604 67 HE22 GLN 13 2HE2 GLN 13 15.541 42.077 20.590 68 H ASN 14 H ASN 14 12.566 35.101 19.889 69 HA ASN 14 HA ASN 14 14.990 33.928 20.789 70 HB2 ASN 14 1HB ASN 14 12.493 33.399 22.331 71 HB3 ASN 14 2HB ASN 14 13.582 32.046 22.038 72 HD21 ASN 14 1HD2 ASN 14 15.915 32.514 22.553 73 HD22 ASN 14 2HD2 ASN 14 16.226 33.397 24.005 74 H LYS 15 H LYS 15 15.526 32.763 19.076 75 HA LYS 15 HA LYS 15 13.740 30.750 18.041 76 HB2 LYS 15 1HB LYS 15 13.814 31.551 15.716 77 HB3 LYS 15 2HB LYS 15 12.981 32.686 16.770 78 HG2 LYS 15 1HG LYS 15 15.353 33.799 16.917 79 HG3 LYS 15 2HG LYS 15 15.604 32.947 15.392 80 HD2 LYS 15 1HD LYS 15 14.775 34.985 14.678 81 HD3 LYS 15 2HD LYS 15 13.315 33.995 14.736 82 HE2 LYS 15 1HE LYS 15 12.668 34.946 16.827 83 HE3 LYS 15 2HE LYS 15 14.221 35.760 17.003 84 HZ1 LYS 15 3HZ LYS 15 12.109 37.017 16.122 85 HZ2 LYS 15 1HZ LYS 15 12.611 36.376 14.639 86 HZ3 LYS 15 2HZ LYS 15 13.651 37.372 15.525 87 H ALA 16 H ALA 16 14.830 29.532 16.198 88 HA ALA 16 HA ALA 16 17.683 29.754 15.972 89 HB1 ALA 16 1HB ALA 16 17.842 27.256 16.838 90 HB2 ALA 16 2HB ALA 16 18.010 28.633 17.927 91 HB3 ALA 16 3HB ALA 16 16.473 27.774 17.822 92 H SER 17 H SER 17 18.285 29.008 14.040 93 HA SER 17 HA SER 17 16.405 27.266 12.592 94 HB2 SER 17 1HB SER 17 18.497 29.143 11.464 95 HB3 SER 17 2HB SER 17 17.340 28.195 10.529 96 HG SER 17 HG SER 17 16.585 30.308 10.798 97 H MET 18 H MET 18 17.354 25.395 13.626 98 HA MET 18 HA MET 18 19.871 24.520 13.807 99 HB2 MET 18 1HB MET 18 17.482 23.004 12.763 100 HB3 MET 18 2HB MET 18 19.019 22.223 13.109 101 HG2 MET 18 1HG MET 18 18.847 22.627 15.398 102 HG3 MET 18 2HG MET 18 17.609 23.862 15.178 103 HE1 MET 18 3HE MET 18 17.120 19.395 15.643 104 HE2 MET 18 1HE MET 18 18.608 20.264 15.267 105 HE3 MET 18 2HE MET 18 17.816 20.505 16.824 106 H LEU 19 H LEU 19 21.380 23.384 12.494 107 HA LEU 19 HA LEU 19 21.023 23.322 9.632 108 HB2 LEU 19 1HB LEU 19 21.747 25.684 10.271 109 HB3 LEU 19 2HB LEU 19 23.299 24.967 10.700 110 HG LEU 19 HG LEU 19 23.123 24.040 8.215 111 HD11 LEU 19 1HD1 LEU 19 22.055 25.527 6.714 112 HD12 LEU 19 2HD1 LEU 19 21.694 26.678 7.999 113 HD13 LEU 19 3HD1 LEU 19 20.866 25.121 7.951 114 HD21 LEU 19 3HD2 LEU 19 24.060 26.722 9.186 115 HD22 LEU 19 1HD2 LEU 19 24.317 26.192 7.524 116 HD23 LEU 19 2HD2 LEU 19 25.008 25.270 8.860 117 H GLN 20 H GLN 20 22.510 21.996 8.585 118 HA GLN 20 HA GLN 20 24.540 20.707 10.272 119 HB2 GLN 20 1HB GLN 20 22.275 19.415 9.863 120 HB3 GLN 20 2HB GLN 20 23.013 19.053 8.308 121 HG2 GLN 20 1HG GLN 20 24.738 17.830 9.269 122 HG3 GLN 20 2HG GLN 20 24.485 18.545 10.861 123 HE21 GLN 20 1HE2 GLN 20 24.276 15.760 9.331 124 HE22 GLN 20 2HE2 GLN 20 22.920 15.039 10.122 125 H ALA 21 H ALA 21 26.111 19.412 8.944 126 HA ALA 21 HA ALA 21 26.463 20.529 6.248 127 HB1 ALA 21 1HB ALA 21 29.022 20.154 7.461 128 HB2 ALA 21 2HB ALA 21 28.307 21.628 6.805 129 HB3 ALA 21 3HB ALA 21 28.034 21.191 8.492 130 H ARG 22 H ARG 22 27.314 19.153 4.741 131 HA ARG 22 HA ARG 22 27.964 16.430 5.662 132 HB2 ARG 22 1HB ARG 22 25.729 16.816 4.408 133 HB3 ARG 22 2HB ARG 22 26.738 16.998 2.979 134 HG2 ARG 22 1HG ARG 22 26.119 14.765 2.931 135 HG3 ARG 22 2HG ARG 22 27.733 14.726 3.642 136 HD2 ARG 22 1HD ARG 22 26.529 13.317 5.034 137 HD3 ARG 22 2HD ARG 22 26.484 14.852 5.901 138 HE ARG 22 HE ARG 22 24.229 14.781 4.297 139 HH11 ARG 22 2HH1 ARG 22 25.566 12.951 6.940 140 HH12 ARG 22 1HH1 ARG 22 24.021 12.468 7.558 141 HH21 ARG 22 2HH2 ARG 22 22.190 14.151 5.100 142 HH22 ARG 22 1HH2 ARG 22 22.101 13.150 6.510 143 H LEU 23 H LEU 23 30.162 16.544 5.580 144 HA LEU 23 HA LEU 23 31.341 17.091 2.937 145 HB2 LEU 23 1HB LEU 23 33.417 17.723 4.339 146 HB3 LEU 23 2HB LEU 23 32.111 18.892 4.149 147 HG LEU 23 HG LEU 23 32.157 17.126 6.558 148 HD11 LEU 23 1HD1 LEU 23 33.428 19.651 7.070 149 HD12 LEU 23 2HD1 LEU 23 34.338 18.736 5.869 150 HD13 LEU 23 3HD1 LEU 23 33.985 18.019 7.441 151 HD21 LEU 23 3HD2 LEU 23 31.043 19.792 5.785 152 HD22 LEU 23 1HD2 LEU 23 31.297 19.391 7.484 153 HD23 LEU 23 2HD2 LEU 23 30.226 18.398 6.495 154 H ASN 24 H ASN 24 31.191 14.837 2.489 155 HA ASN 24 HA ASN 24 33.512 13.377 3.331 156 HB2 ASN 24 1HB ASN 24 32.136 11.376 4.097 157 HB3 ASN 24 2HB ASN 24 32.211 12.739 5.210 158 HD21 ASN 24 1HD2 ASN 24 30.383 13.920 5.629 159 HD22 ASN 24 2HD2 ASN 24 28.807 13.428 5.119 160 H ASP 25 H ASP 25 33.761 11.343 2.155 161 HA ASP 25 HA ASP 25 32.234 11.359 -0.366 162 HB2 ASP 25 1HB ASP 25 34.827 11.862 -0.256 163 HB3 ASP 25 2HB ASP 25 34.941 10.106 -0.181 164 H GLU 26 H GLU 26 31.277 9.986 1.880 165 HA GLU 26 HA GLU 26 31.660 7.187 1.041 166 HB2 GLU 26 1HB GLU 26 31.167 8.270 3.818 167 HB3 GLU 26 2HB GLU 26 31.087 6.565 3.400 168 HG2 GLU 26 1HG GLU 26 33.510 7.051 2.466 169 HG3 GLU 26 2HG GLU 26 33.439 8.350 3.655 170 H ALA 27 H ALA 27 29.898 7.580 -0.449 171 HA ALA 27 HA ALA 27 27.267 8.002 0.745 172 HB1 ALA 27 1HB ALA 27 28.338 8.070 -2.038 173 HB2 ALA 27 2HB ALA 27 26.613 7.810 -1.777 174 HB3 ALA 27 3HB ALA 27 27.387 9.273 -1.168 175 H GLY 28 H GLY 28 26.103 6.322 1.399 176 HA2 GLY 28 1HA GLY 28 26.804 3.642 1.010 177 HA3 GLY 28 2HA GLY 28 25.231 4.206 1.556 178 H GLY 29 H GLY 29 27.149 3.260 -1.211 179 HA2 GLY 29 1HA GLY 29 24.807 3.460 -2.963 180 HA3 GLY 29 2HA GLY 29 26.461 3.165 -3.479 181 H THR 30 H THR 30 23.510 1.748 -2.355 182 HA THR 30 HA THR 30 24.687 -0.940 -2.538 183 HB THR 30 HB THR 30 22.588 -1.715 -1.435 184 HG1 THR 30 1HG THR 30 22.103 1.087 -1.216 185 HG21 THR 30 3HG2 THR 30 23.976 -1.582 0.314 186 HG22 THR 30 1HG2 THR 30 23.194 -0.047 0.691 187 HG23 THR 30 2HG2 THR 30 24.678 -0.070 -0.262 188 H ARG 31 H ARG 31 23.764 -2.525 -3.843 189 HA ARG 31 HA ARG 31 22.793 -1.725 -6.329 190 HB2 ARG 31 1HB ARG 31 22.353 -4.089 -6.748 191 HB3 ARG 31 2HB ARG 31 23.899 -3.881 -5.937 192 HG2 ARG 31 1HG ARG 31 23.020 -4.647 -3.873 193 HG3 ARG 31 2HG ARG 31 21.366 -4.585 -4.483 194 HD2 ARG 31 1HD ARG 31 22.358 -6.879 -4.373 195 HD3 ARG 31 2HD ARG 31 21.761 -6.408 -5.963 196 HE ARG 31 HE ARG 31 24.500 -5.786 -5.759 197 HH11 ARG 31 2HH1 ARG 31 22.357 -8.517 -6.028 198 HH12 ARG 31 1HH1 ARG 31 23.524 -9.519 -6.825 199 HH21 ARG 31 2HH2 ARG 31 26.045 -7.096 -6.808 200 HH22 ARG 31 1HH2 ARG 31 25.621 -8.711 -7.267 201 H LEU 32 H LEU 32 20.681 -2.676 -7.272 202 HA LEU 32 HA LEU 32 18.500 -1.674 -5.608 203 HB2 LEU 32 1HB LEU 32 18.777 -2.257 -8.540 204 HB3 LEU 32 2HB LEU 32 17.207 -1.951 -7.798 205 HG LEU 32 HG LEU 32 19.497 0.004 -7.685 206 HD11 LEU 32 1HD1 LEU 32 17.636 -0.618 -9.857 207 HD12 LEU 32 2HD1 LEU 32 19.166 0.258 -9.884 208 HD13 LEU 32 3HD1 LEU 32 17.685 1.085 -9.402 209 HD21 LEU 32 3HD2 LEU 32 17.865 0.369 -5.968 210 HD22 LEU 32 1HD2 LEU 32 16.542 0.212 -7.125 211 HD23 LEU 32 2HD2 LEU 32 17.636 1.592 -7.219 212 H LEU 33 H LEU 33 18.388 -3.499 -4.200 213 HA LEU 33 HA LEU 33 17.665 -6.070 -5.335 214 HB2 LEU 33 1HB LEU 33 18.259 -5.042 -2.598 215 HB3 LEU 33 2HB LEU 33 17.371 -6.554 -2.776 216 HG LEU 33 HG LEU 33 19.964 -6.223 -4.214 217 HD11 LEU 33 1HD1 LEU 33 19.820 -7.114 -1.347 218 HD12 LEU 33 2HD1 LEU 33 20.256 -5.472 -1.820 219 HD13 LEU 33 3HD1 LEU 33 21.254 -6.832 -2.334 220 HD21 LEU 33 3HD2 LEU 33 19.491 -8.336 -4.700 221 HD22 LEU 33 1HD2 LEU 33 18.087 -8.314 -3.633 222 HD23 LEU 33 2HD2 LEU 33 19.676 -8.731 -2.991 223 H ARG 34 H ARG 34 15.756 -7.237 -4.351 224 HA ARG 34 HA ARG 34 13.495 -5.395 -3.946 225 HB2 ARG 34 1HB ARG 34 13.587 -6.398 -6.263 226 HB3 ARG 34 2HB ARG 34 13.338 -7.969 -5.514 227 HG2 ARG 34 1HG ARG 34 11.182 -7.507 -5.973 228 HG3 ARG 34 2HG ARG 34 11.280 -6.648 -4.434 229 HD2 ARG 34 1HD ARG 34 11.862 -4.584 -5.710 230 HD3 ARG 34 2HD ARG 34 11.553 -5.478 -7.198 231 HE ARG 34 HE ARG 34 9.366 -5.509 -5.325 232 HH11 ARG 34 2HH1 ARG 34 10.868 -3.820 -7.972 233 HH12 ARG 34 1HH1 ARG 34 9.410 -3.022 -8.462 234 HH21 ARG 34 2HH2 ARG 34 7.440 -4.464 -5.959 235 HH22 ARG 34 1HH2 ARG 34 7.461 -3.388 -7.315 236 H VAL 35 H VAL 35 15.151 -6.907 -2.040 237 HA VAL 35 HA VAL 35 13.345 -8.981 -1.067 238 HB VAL 35 HB VAL 35 15.742 -9.465 -1.042 239 HG11 VAL 35 1HG1 VAL 35 16.286 -7.596 1.180 240 HG12 VAL 35 2HG1 VAL 35 17.337 -8.146 -0.127 241 HG13 VAL 35 3HG1 VAL 35 16.140 -6.885 -0.427 242 HG21 VAL 35 3HG2 VAL 35 13.955 -9.706 1.150 243 HG22 VAL 35 1HG2 VAL 35 15.287 -10.768 0.696 244 HG23 VAL 35 2HG2 VAL 35 15.571 -9.417 1.793 245 H HIS 36 H HIS 36 11.812 -8.561 0.369 246 HA HIS 36 HA HIS 36 12.069 -6.149 2.040 247 HB2 HIS 36 1HB HIS 36 9.610 -7.558 0.993 248 HB3 HIS 36 2HB HIS 36 9.556 -6.280 2.204 249 HD1 HIS 36 1HD HIS 36 10.053 -6.876 -1.435 250 HD2 HIS 36 2HD HIS 36 10.109 -3.691 1.232 251 HE1 HIS 36 1HE HIS 36 10.028 -4.805 -2.861 252 HE2 HIS 36 2HE HIS 36 10.148 -2.891 -1.228 253 H HIS 37 H HIS 37 12.926 -6.843 3.919 254 HA HIS 37 HA HIS 37 11.577 -9.087 5.273 255 HB2 HIS 37 1HB HIS 37 13.729 -9.431 6.496 256 HB3 HIS 37 2HB HIS 37 13.845 -9.725 4.763 257 HD1 HIS 37 1HD HIS 37 15.349 -7.805 7.470 258 HD2 HIS 37 2HD HIS 37 15.131 -7.528 3.330 259 HE1 HIS 37 1HE HIS 37 17.173 -6.206 6.806 260 HE2 HIS 37 2HE HIS 37 16.966 -5.989 4.305 261 H GLU 38 H GLU 38 13.301 -6.023 5.796 262 HA GLU 38 HA GLU 38 11.568 -5.548 8.122 263 HB2 GLU 38 1HB GLU 38 14.560 -5.255 7.968 264 HB3 GLU 38 2HB GLU 38 13.606 -4.368 9.148 265 HG2 GLU 38 1HG GLU 38 13.812 -7.357 8.881 266 HG3 GLU 38 2HG GLU 38 14.505 -6.355 10.156 267 H SER 39 H SER 39 10.854 -3.472 8.386 268 HA SER 39 HA SER 39 11.004 -1.761 6.090 269 HB2 SER 39 1HB SER 39 9.551 -0.246 7.483 270 HB3 SER 39 2HB SER 39 8.909 -1.874 7.263 271 HG SER 39 HG SER 39 8.715 -1.486 9.402 272 H ASP 40 H ASP 40 12.886 -0.739 5.752 273 HA ASP 40 HA ASP 40 14.320 0.448 8.002 274 HB2 ASP 40 1HB ASP 40 15.184 0.462 5.112 275 HB3 ASP 40 2HB ASP 40 16.186 0.663 6.547 276 H THR 41 H THR 41 15.454 2.634 7.273 277 HA THR 41 HA THR 41 13.311 4.401 6.283 278 HB THR 41 HB THR 41 14.337 6.184 7.710 279 HG1 THR 41 1HG THR 41 15.792 3.966 8.759 280 HG21 THR 41 3HG2 THR 41 12.823 3.862 8.591 281 HG22 THR 41 1HG2 THR 41 12.569 5.572 8.939 282 HG23 THR 41 2HG2 THR 41 13.702 4.633 9.911 283 H GLU 42 H GLU 42 13.836 4.948 4.258 284 HA GLU 42 HA GLU 42 16.638 5.488 3.598 285 HB2 GLU 42 1HB GLU 42 15.971 5.339 1.279 286 HB3 GLU 42 2HB GLU 42 15.360 3.938 2.148 287 HG2 GLU 42 1HG GLU 42 13.198 5.365 2.378 288 HG3 GLU 42 2HG GLU 42 13.873 6.262 1.020 289 H GLU 43 H GLU 43 17.071 7.525 4.296 290 HA GLU 43 HA GLU 43 15.213 9.685 3.681 291 HB2 GLU 43 1HB GLU 43 17.826 9.699 5.201 292 HB3 GLU 43 2HB GLU 43 16.759 11.083 5.014 293 HG2 GLU 43 1HG GLU 43 15.674 8.569 6.179 294 HG3 GLU 43 2HG GLU 43 16.689 9.613 7.172 295 H ARG 44 H ARG 44 18.533 8.694 2.949 296 HA ARG 44 HA ARG 44 19.569 10.748 1.562 297 HB2 ARG 44 1HB ARG 44 19.582 7.864 0.654 298 HB3 ARG 44 2HB ARG 44 20.682 9.109 0.077 299 HG2 ARG 44 1HG ARG 44 20.485 8.454 2.992 300 HG3 ARG 44 2HG ARG 44 21.495 7.502 1.902 301 HD2 ARG 44 1HD ARG 44 21.690 10.492 2.218 302 HD3 ARG 44 2HD ARG 44 22.701 9.338 3.085 303 HE ARG 44 HE ARG 44 22.883 8.800 0.343 304 HH11 ARG 44 2HH1 ARG 44 23.785 11.257 2.639 305 HH12 ARG 44 1HH1 ARG 44 25.169 11.778 1.736 306 HH21 ARG 44 2HH2 ARG 44 24.702 9.477 -0.856 307 HH22 ARG 44 1HH2 ARG 44 25.689 10.765 -0.253 308 H GLY 45 H GLY 45 17.113 8.515 0.319 309 HA2 GLY 45 1HA GLY 45 16.928 10.052 -2.161 310 HA3 GLY 45 2HA GLY 45 16.122 8.527 -1.821 311 H PHE 46 H PHE 46 14.733 8.969 0.430 312 HA PHE 46 HA PHE 46 12.402 10.141 -0.335 313 HB2 PHE 46 1HB PHE 46 12.224 8.927 1.631 314 HB3 PHE 46 2HB PHE 46 13.634 9.693 2.354 315 HD1 PHE 46 1HD PHE 46 10.049 9.973 1.723 316 HD2 PHE 46 2HD PHE 46 13.456 11.827 3.476 317 HE1 PHE 46 1HE PHE 46 8.574 11.505 2.962 318 HE2 PHE 46 2HE PHE 46 11.987 13.361 4.718 319 HZ PHE 46 HZ PHE 46 9.543 13.201 4.463 320 H LEU 47 H LEU 47 14.781 11.750 1.786 321 HA LEU 47 HA LEU 47 13.583 14.263 1.787 322 HB2 LEU 47 1HB LEU 47 16.311 13.229 2.326 323 HB3 LEU 47 2HB LEU 47 16.127 14.968 2.104 324 HG LEU 47 HG LEU 47 14.552 13.388 4.128 325 HD11 LEU 47 1HD1 LEU 47 16.290 14.758 5.628 326 HD12 LEU 47 2HD1 LEU 47 17.310 14.444 4.224 327 HD13 LEU 47 3HD1 LEU 47 16.574 13.100 5.097 328 HD21 LEU 47 3HD2 LEU 47 13.755 15.655 3.291 329 HD22 LEU 47 1HD2 LEU 47 15.176 16.327 4.092 330 HD23 LEU 47 2HD2 LEU 47 13.954 15.473 5.035 331 H GLU 48 H GLU 48 16.174 13.015 -0.308 332 HA GLU 48 HA GLU 48 16.835 15.162 -1.805 333 HB2 GLU 48 1HB GLU 48 17.482 12.647 -2.055 334 HB3 GLU 48 2HB GLU 48 16.178 12.609 -3.234 335 HG2 GLU 48 1HG GLU 48 17.261 14.233 -4.598 336 HG3 GLU 48 2HG GLU 48 18.476 14.542 -3.360 337 H LYS 49 H LYS 49 14.059 13.048 -2.537 338 HA LYS 49 HA LYS 49 13.041 14.419 -4.707 339 HB2 LYS 49 1HB LYS 49 12.237 12.215 -3.823 340 HB3 LYS 49 2HB LYS 49 11.384 13.089 -2.558 341 HG2 LYS 49 1HG LYS 49 9.967 14.158 -4.160 342 HG3 LYS 49 2HG LYS 49 10.910 13.502 -5.501 343 HD2 LYS 49 1HD LYS 49 10.134 11.324 -5.130 344 HD3 LYS 49 2HD LYS 49 9.580 11.704 -3.498 345 HE2 LYS 49 1HE LYS 49 8.385 13.038 -5.904 346 HE3 LYS 49 2HE LYS 49 7.823 11.458 -5.360 347 HZ1 LYS 49 3HZ LYS 49 7.619 12.648 -3.090 348 HZ2 LYS 49 1HZ LYS 49 6.420 12.886 -4.260 349 HZ3 LYS 49 2HZ LYS 49 7.608 14.065 -4.015 350 H ALA 50 H ALA 50 12.293 14.922 -1.267 351 HA ALA 50 HA ALA 50 10.425 16.971 -1.573 352 HB1 ALA 50 1HB ALA 50 11.380 15.628 0.542 353 HB2 ALA 50 2HB ALA 50 12.237 17.156 0.752 354 HB3 ALA 50 3HB ALA 50 10.475 17.135 0.681 355 H ALA 51 H ALA 51 13.954 17.120 -1.297 356 HA ALA 51 HA ALA 51 14.277 19.874 -1.127 357 HB1 ALA 51 1HB ALA 51 16.250 18.787 -0.779 358 HB2 ALA 51 2HB ALA 51 15.974 17.632 -2.084 359 HB3 ALA 51 3HB ALA 51 16.483 19.279 -2.456 360 H VAL 52 H VAL 52 14.194 17.832 -4.045 361 HA VAL 52 HA VAL 52 14.547 19.838 -5.941 362 HB VAL 52 HB VAL 52 12.847 17.360 -6.252 363 HG11 VAL 52 1HG1 VAL 52 13.045 17.610 -8.560 364 HG12 VAL 52 2HG1 VAL 52 12.747 19.254 -7.993 365 HG13 VAL 52 3HG1 VAL 52 14.382 18.749 -8.419 366 HG21 VAL 52 3HG2 VAL 52 14.958 16.615 -5.509 367 HG22 VAL 52 1HG2 VAL 52 14.987 16.442 -7.263 368 HG23 VAL 52 2HG2 VAL 52 15.812 17.800 -6.497 369 H LYS 53 H LYS 53 11.569 18.635 -4.446 370 HA LYS 53 HA LYS 53 9.748 20.128 -5.966 371 HB2 LYS 53 1HB LYS 53 9.688 18.768 -3.320 372 HB3 LYS 53 2HB LYS 53 8.411 19.927 -3.663 373 HG2 LYS 53 1HG LYS 53 9.102 17.614 -5.458 374 HG3 LYS 53 2HG LYS 53 7.851 17.565 -4.214 375 HD2 LYS 53 1HD LYS 53 6.860 19.613 -5.364 376 HD3 LYS 53 2HD LYS 53 7.947 19.246 -6.706 377 HE2 LYS 53 1HE LYS 53 5.809 17.449 -5.567 378 HE3 LYS 53 2HE LYS 53 5.769 18.278 -7.122 379 HZ1 LYS 53 3HZ LYS 53 6.648 16.424 -7.943 380 HZ2 LYS 53 1HZ LYS 53 7.019 15.805 -6.413 381 HZ3 LYS 53 2HZ LYS 53 8.095 16.859 -7.183 382 H LYS 54 H LYS 54 11.590 20.939 -3.080 383 HA LYS 54 HA LYS 54 10.280 23.358 -2.465 384 HB2 LYS 54 1HB LYS 54 11.664 22.385 -0.794 385 HB3 LYS 54 2HB LYS 54 13.053 22.335 -1.872 386 HG2 LYS 54 1HG LYS 54 13.563 24.118 -0.515 387 HG3 LYS 54 2HG LYS 54 12.803 24.920 -1.891 388 HD2 LYS 54 1HD LYS 54 10.696 25.039 -0.679 389 HD3 LYS 54 2HD LYS 54 11.415 24.181 0.686 390 HE2 LYS 54 1HE LYS 54 12.393 26.831 -0.368 391 HE3 LYS 54 2HE LYS 54 11.280 26.651 0.988 392 HZ1 LYS 54 3HZ LYS 54 13.734 26.910 1.518 393 HZ2 LYS 54 1HZ LYS 54 13.921 25.322 0.965 394 HZ3 LYS 54 2HZ LYS 54 12.916 25.645 2.287 395 H MET 55 H MET 55 13.229 22.703 -4.345 396 HA MET 55 HA MET 55 13.924 25.305 -4.984 397 HB2 MET 55 1HB MET 55 14.171 23.022 -6.933 398 HB3 MET 55 2HB MET 55 15.233 24.411 -6.748 399 HG2 MET 55 1HG MET 55 15.680 23.474 -4.391 400 HG3 MET 55 2HG MET 55 14.996 21.980 -5.027 401 HE1 MET 55 3HE MET 55 17.842 23.025 -3.832 402 HE2 MET 55 1HE MET 55 19.193 22.738 -4.929 403 HE3 MET 55 2HE MET 55 18.306 24.261 -5.002 404 H ALA 56 H ALA 56 12.043 23.086 -7.055 405 HA ALA 56 HA ALA 56 11.339 24.820 -9.055 406 HB1 ALA 56 1HB ALA 56 10.800 22.499 -9.228 407 HB2 ALA 56 2HB ALA 56 9.713 22.594 -7.842 408 HB3 ALA 56 3HB ALA 56 9.297 23.414 -9.346 409 H LYS 57 H LYS 57 9.485 24.220 -6.071 410 HA LYS 57 HA LYS 57 7.375 25.924 -6.450 411 HB2 LYS 57 1HB LYS 57 8.892 25.148 -3.977 412 HB3 LYS 57 2HB LYS 57 7.543 26.272 -3.882 413 HG2 LYS 57 1HG LYS 57 6.263 24.418 -5.187 414 HG3 LYS 57 2HG LYS 57 7.547 23.372 -4.576 415 HD2 LYS 57 1HD LYS 57 6.000 23.175 -2.890 416 HD3 LYS 57 2HD LYS 57 6.962 24.528 -2.290 417 HE2 LYS 57 1HE LYS 57 5.342 26.106 -2.984 418 HE3 LYS 57 2HE LYS 57 4.485 24.909 -3.954 419 HZ1 LYS 57 3HZ LYS 57 3.461 25.506 -1.747 420 HZ2 LYS 57 1HZ LYS 57 4.741 24.676 -1.013 421 HZ3 LYS 57 2HZ LYS 57 3.675 23.853 -2.036 422 H ALA 58 H ALA 58 10.475 26.782 -4.912 423 HA ALA 58 HA ALA 58 9.980 29.478 -4.493 424 HB1 ALA 58 1HB ALA 58 12.647 28.284 -5.231 425 HB2 ALA 58 2HB ALA 58 12.356 29.768 -4.323 426 HB3 ALA 58 3HB ALA 58 11.929 28.208 -3.621 427 H ILE 59 H ILE 59 11.239 27.852 -7.374 428 HA ILE 59 HA ILE 59 11.877 30.120 -8.877 429 HB ILE 59 HB ILE 59 10.974 27.383 -9.763 430 HG12 ILE 59 1HG1 ILE 59 13.712 28.652 -9.884 431 HG13 ILE 59 2HG1 ILE 59 13.167 27.668 -8.531 432 HG21 ILE 59 1HG2 ILE 59 11.978 29.694 -11.414 433 HG22 ILE 59 2HG2 ILE 59 11.907 28.028 -11.988 434 HG23 ILE 59 3HG2 ILE 59 10.423 28.873 -11.548 435 HD11 ILE 59 3HD1 ILE 59 13.272 26.701 -11.375 436 HD12 ILE 59 1HD1 ILE 59 14.562 26.464 -10.196 437 HD13 ILE 59 2HD1 ILE 59 12.975 25.744 -9.924 438 H MET 60 H MET 60 8.885 28.180 -8.920 439 HA MET 60 HA MET 60 7.404 29.502 -10.772 440 HB2 MET 60 1HB MET 60 6.522 28.406 -8.102 441 HB3 MET 60 2HB MET 60 5.394 28.964 -9.330 442 HG2 MET 60 1HG MET 60 7.440 26.946 -10.088 443 HG3 MET 60 2HG MET 60 6.059 26.434 -9.121 444 HE1 MET 60 3HE MET 60 5.501 25.007 -12.468 445 HE2 MET 60 1HE MET 60 5.792 24.811 -10.739 446 HE3 MET 60 2HE MET 60 4.151 25.066 -11.333 447 H ALA 61 H ALA 61 8.239 30.623 -7.565 448 HA ALA 61 HA ALA 61 6.447 32.880 -7.648 449 HB1 ALA 61 1HB ALA 61 7.598 33.550 -5.558 450 HB2 ALA 61 2HB ALA 61 6.954 31.909 -5.507 451 HB3 ALA 61 3HB ALA 61 8.681 32.171 -5.752 452 H ASP 62 H ASP 62 9.994 32.500 -7.687 453 HA ASP 62 HA ASP 62 10.148 35.056 -9.145 454 HB2 ASP 62 1HB ASP 62 11.848 34.008 -6.899 455 HB3 ASP 62 2HB ASP 62 12.501 35.173 -8.048 456 HA PRO 63 HA PRO 63 12.089 32.628 -12.289 457 HB2 PRO 63 1HB PRO 63 13.015 34.687 -13.796 458 HB3 PRO 63 2HB PRO 63 11.313 34.211 -13.762 459 HG2 PRO 63 1HG PRO 63 12.688 36.433 -12.301 460 HG3 PRO 63 2HG PRO 63 11.122 36.442 -13.134 461 HD2 PRO 63 1HD PRO 63 11.341 36.211 -10.445 462 HD3 PRO 63 2HD PRO 63 10.035 35.438 -11.367 463 H ASN 64 H ASN 64 13.834 35.347 -10.815 464 HA ASN 64 HA ASN 64 16.405 34.744 -11.663 465 HB2 ASN 64 1HB ASN 64 15.667 35.860 -8.950 466 HB3 ASN 64 2HB ASN 64 17.193 36.075 -9.804 467 HD21 ASN 64 1HD2 ASN 64 15.026 37.933 -8.817 468 HD22 ASN 64 2HD2 ASN 64 14.677 38.934 -10.181 469 H LYS 65 H LYS 65 14.410 33.124 -9.372 470 HA LYS 65 HA LYS 65 16.461 31.824 -7.891 471 HB2 LYS 65 1HB LYS 65 13.518 31.366 -8.258 472 HB3 LYS 65 2HB LYS 65 14.498 30.185 -7.400 473 HG2 LYS 65 1HG LYS 65 14.392 33.095 -6.652 474 HG3 LYS 65 2HG LYS 65 13.324 31.870 -5.963 475 HD2 LYS 65 1HD LYS 65 16.340 31.868 -5.833 476 HD3 LYS 65 2HD LYS 65 15.247 32.288 -4.512 477 HE2 LYS 65 1HE LYS 65 14.248 29.921 -4.973 478 HE3 LYS 65 2HE LYS 65 15.804 29.624 -5.746 479 HZ1 LYS 65 3HZ LYS 65 16.561 30.725 -3.430 480 HZ2 LYS 65 1HZ LYS 65 16.420 29.058 -3.682 481 HZ3 LYS 65 2HZ LYS 65 15.162 29.912 -2.940 482 H ALA 66 H ALA 66 14.661 31.030 -10.808 483 HA ALA 66 HA ALA 66 15.243 28.365 -11.135 484 HB1 ALA 66 1HB ALA 66 15.039 30.561 -13.180 485 HB2 ALA 66 2HB ALA 66 15.197 28.858 -13.610 486 HB3 ALA 66 3HB ALA 66 13.797 29.409 -12.689 487 H ASP 67 H ASP 67 17.211 31.084 -12.346 488 HA ASP 67 HA ASP 67 19.303 29.737 -13.461 489 HB2 ASP 67 1HB ASP 67 19.534 32.010 -13.708 490 HB3 ASP 67 2HB ASP 67 19.082 32.345 -12.039 491 H GLU 68 H GLU 68 19.163 30.764 -10.046 492 HA GLU 68 HA GLU 68 21.517 29.571 -9.195 493 HB2 GLU 68 1HB GLU 68 20.329 31.117 -7.776 494 HB3 GLU 68 2HB GLU 68 18.940 30.043 -7.693 495 HG2 GLU 68 1HG GLU 68 20.056 29.796 -5.649 496 HG3 GLU 68 2HG GLU 68 20.468 28.363 -6.588 497 H VAL 69 H VAL 69 18.224 28.223 -9.131 498 HA VAL 69 HA VAL 69 18.796 25.754 -8.009 499 HB VAL 69 HB VAL 69 16.734 26.399 -10.121 500 HG11 VAL 69 1HG1 VAL 69 17.161 23.999 -10.004 501 HG12 VAL 69 2HG1 VAL 69 16.911 24.032 -8.258 502 HG13 VAL 69 3HG1 VAL 69 15.572 24.391 -9.349 503 HG21 VAL 69 3HG2 VAL 69 16.457 26.226 -7.122 504 HG22 VAL 69 1HG2 VAL 69 16.573 27.726 -8.043 505 HG23 VAL 69 2HG2 VAL 69 15.193 26.653 -8.276 506 H TYR 70 H TYR 70 18.346 26.344 -11.501 507 HA TYR 70 HA TYR 70 19.069 23.997 -12.576 508 HB2 TYR 70 1HB TYR 70 20.030 26.702 -13.531 509 HB3 TYR 70 2HB TYR 70 20.029 25.232 -14.499 510 HD1 TYR 70 1HD TYR 70 17.364 24.127 -13.614 511 HD2 TYR 70 2HD TYR 70 18.545 28.046 -14.776 512 HE1 TYR 70 1HE TYR 70 15.061 24.600 -14.337 513 HE2 TYR 70 2HE TYR 70 16.246 28.531 -15.500 514 HH TYR 70 HH TYR 70 13.673 26.096 -15.201 515 H LYS 71 H LYS 71 21.406 26.481 -11.563 516 HA LYS 71 HA LYS 71 23.719 25.004 -12.188 517 HB2 LYS 71 1HB LYS 71 23.102 27.394 -10.527 518 HB3 LYS 71 2HB LYS 71 24.641 26.591 -10.246 519 HG2 LYS 71 1HG LYS 71 25.284 28.085 -11.827 520 HG3 LYS 71 2HG LYS 71 24.802 26.751 -12.878 521 HD2 LYS 71 1HD LYS 71 22.753 27.775 -13.415 522 HD3 LYS 71 2HD LYS 71 22.880 28.918 -12.076 523 HE2 LYS 71 1HE LYS 71 24.901 28.896 -14.289 524 HE3 LYS 71 2HE LYS 71 23.369 29.748 -14.470 525 HZ1 LYS 71 3HZ LYS 71 25.460 30.958 -13.528 526 HZ2 LYS 71 1HZ LYS 71 24.983 30.243 -12.071 527 HZ3 LYS 71 2HZ LYS 71 23.927 31.280 -12.889 528 H LYS 72 H LYS 72 21.845 25.296 -9.199 529 HA LYS 72 HA LYS 72 23.535 23.824 -7.525 530 HB2 LYS 72 1HB LYS 72 20.556 24.279 -7.492 531 HB3 LYS 72 2HB LYS 72 21.375 23.356 -6.239 532 HG2 LYS 72 1HG LYS 72 22.889 25.478 -6.073 533 HG3 LYS 72 2HG LYS 72 21.513 26.270 -6.845 534 HD2 LYS 72 1HD LYS 72 21.162 26.521 -4.529 535 HD3 LYS 72 2HD LYS 72 20.081 25.216 -5.026 536 HE2 LYS 72 1HE LYS 72 21.079 24.451 -3.046 537 HE3 LYS 72 2HE LYS 72 21.951 23.629 -4.338 538 HZ1 LYS 72 3HZ LYS 72 22.979 26.172 -3.276 539 HZ2 LYS 72 1HZ LYS 72 23.820 24.900 -4.008 540 HZ3 LYS 72 2HZ LYS 72 23.256 24.739 -2.422 541 H TRP 73 H TRP 73 20.491 22.655 -8.975 542 HA TRP 73 HA TRP 73 20.592 20.027 -8.414 543 HB2 TRP 73 1HB TRP 73 19.712 21.458 -10.897 544 HB3 TRP 73 2HB TRP 73 19.660 19.698 -10.841 545 HD1 TRP 73 HD TRP 73 18.776 19.734 -7.629 546 HE1 TRP 73 1HE TRP 73 16.296 20.203 -7.123 547 HE3 TRP 73 3HE TRP 73 17.456 21.958 -12.038 548 HZ2 TRP 73 2HZ TRP 73 14.074 21.362 -8.422 549 HZ3 TRP 73 3HZ TRP 73 15.133 22.719 -12.327 550 HH2 TRP 73 HH TRP 73 13.479 22.425 -10.555 551 H ALA 74 H ALA 74 21.839 21.133 -11.565 552 HA ALA 74 HA ALA 74 23.170 18.937 -12.390 553 HB1 ALA 74 1HB ALA 74 23.760 21.839 -12.700 554 HB2 ALA 74 2HB ALA 74 24.934 20.662 -13.291 555 HB3 ALA 74 3HB ALA 74 23.283 20.647 -13.909 556 H ASP 75 H ASP 75 24.457 21.348 -10.123 557 HA ASP 75 HA ASP 75 27.000 20.230 -9.791 558 HB2 ASP 75 1HB ASP 75 26.030 22.498 -8.961 559 HB3 ASP 75 2HB ASP 75 25.558 21.584 -7.532 560 H LYS 76 H LYS 76 23.954 19.586 -8.123 561 HA LYS 76 HA LYS 76 24.992 17.866 -6.146 562 HB2 LYS 76 1HB LYS 76 22.226 17.845 -7.367 563 HB3 LYS 76 2HB LYS 76 22.687 17.131 -5.827 564 HG2 LYS 76 1HG LYS 76 22.949 20.067 -6.415 565 HG3 LYS 76 2HG LYS 76 21.502 19.345 -5.707 566 HD2 LYS 76 1HD LYS 76 24.262 19.059 -4.530 567 HD3 LYS 76 2HD LYS 76 23.122 20.320 -4.055 568 HE2 LYS 76 1HE LYS 76 21.495 18.542 -3.456 569 HE3 LYS 76 2HE LYS 76 22.732 17.338 -3.813 570 HZ1 LYS 76 3HZ LYS 76 23.687 19.344 -2.025 571 HZ2 LYS 76 1HZ LYS 76 23.671 17.662 -1.843 572 HZ3 LYS 76 2HZ LYS 76 22.313 18.572 -1.409 573 H GLY 77 H GLY 77 23.837 17.296 -9.431 574 HA2 GLY 77 1HA GLY 77 24.893 15.517 -10.707 575 HA3 GLY 77 2HA GLY 77 24.931 14.561 -9.232 576 H TYR 78 H TYR 78 22.301 16.427 -10.730 577 HA TYR 78 HA TYR 78 20.603 14.052 -10.527 578 HB2 TYR 78 1HB TYR 78 19.965 16.973 -10.951 579 HB3 TYR 78 2HB TYR 78 18.753 15.700 -11.030 580 HD1 TYR 78 1HD TYR 78 18.651 14.127 -8.922 581 HD2 TYR 78 2HD TYR 78 20.340 18.033 -8.928 582 HE1 TYR 78 1HE TYR 78 18.353 14.253 -6.484 583 HE2 TYR 78 2HE TYR 78 20.047 18.169 -6.490 584 HH TYR 78 HH TYR 78 18.110 16.070 -4.751 585 H THR 79 H THR 79 19.022 13.700 -12.318 586 HA THR 79 HA THR 79 19.881 14.583 -14.951 587 HB THR 79 HB THR 79 19.876 12.177 -15.781 588 HG1 THR 79 1HG THR 79 19.778 10.608 -14.348 589 HG21 THR 79 3HG2 THR 79 22.236 11.778 -14.991 590 HG22 THR 79 1HG2 THR 79 22.052 13.195 -13.958 591 HG23 THR 79 2HG2 THR 79 21.945 13.361 -15.711 592 H LEU 80 H LEU 80 18.323 14.234 -16.588 593 HA LEU 80 HA LEU 80 15.731 14.696 -16.067 594 HB2 LEU 80 1HB LEU 80 16.592 12.805 -18.246 595 HB3 LEU 80 2HB LEU 80 15.159 13.831 -18.227 596 HG LEU 80 HG LEU 80 18.020 14.769 -18.432 597 HD11 LEU 80 1HD1 LEU 80 17.653 14.094 -20.557 598 HD12 LEU 80 2HD1 LEU 80 16.823 15.647 -20.657 599 HD13 LEU 80 3HD1 LEU 80 15.898 14.168 -20.397 600 HD21 LEU 80 3HD2 LEU 80 16.100 16.757 -19.107 601 HD22 LEU 80 1HD2 LEU 80 17.318 16.784 -17.831 602 HD23 LEU 80 2HD2 LEU 80 15.714 16.126 -17.505 603 H THR 81 H THR 81 17.270 11.529 -16.020 604 HA THR 81 HA THR 81 14.981 9.940 -15.775 605 HB THR 81 HB THR 81 17.721 9.438 -14.595 606 HG1 THR 81 1HG THR 81 16.578 8.635 -17.083 607 HG21 THR 81 3HG2 THR 81 16.513 7.796 -13.568 608 HG22 THR 81 1HG2 THR 81 16.791 6.996 -15.114 609 HG23 THR 81 2HG2 THR 81 15.253 7.799 -14.801 610 H GLN 82 H GLN 82 17.071 11.310 -13.237 611 HA GLN 82 HA GLN 82 15.321 10.408 -11.138 612 HB2 GLN 82 1HB GLN 82 17.663 12.317 -11.033 613 HB3 GLN 82 2HB GLN 82 16.856 11.606 -9.641 614 HG2 GLN 82 1HG GLN 82 18.348 10.085 -11.768 615 HG3 GLN 82 2HG GLN 82 18.957 10.478 -10.161 616 HE21 GLN 82 1HE2 GLN 82 16.430 8.731 -11.882 617 HE22 GLN 82 2HE2 GLN 82 16.179 7.530 -10.666 618 H MET 83 H MET 83 16.359 13.645 -12.232 619 HA MET 83 HA MET 83 14.855 15.301 -10.763 620 HB2 MET 83 1HB MET 83 16.285 16.076 -12.588 621 HB3 MET 83 2HB MET 83 15.140 15.456 -13.770 622 HG2 MET 83 1HG MET 83 14.898 17.840 -13.563 623 HG3 MET 83 2HG MET 83 13.456 17.036 -12.948 624 HE1 MET 83 3HE MET 83 16.681 17.034 -10.463 625 HE2 MET 83 1HE MET 83 16.960 18.013 -11.903 626 HE3 MET 83 2HE MET 83 16.786 18.790 -10.330 627 H SER 84 H SER 84 13.580 14.027 -13.846 628 HA SER 84 HA SER 84 10.956 14.848 -13.502 629 HB2 SER 84 1HB SER 84 11.845 13.989 -15.633 630 HB3 SER 84 2HB SER 84 11.928 12.368 -14.943 631 HG SER 84 HG SER 84 9.862 13.542 -16.115 632 H ASN 85 H ASN 85 12.545 11.895 -12.406 633 HA ASN 85 HA ASN 85 10.239 10.559 -11.493 634 HB2 ASN 85 1HB ASN 85 13.170 10.306 -11.036 635 HB3 ASN 85 2HB ASN 85 12.100 9.516 -9.881 636 HD21 ASN 85 1HD2 ASN 85 13.036 7.540 -10.651 637 HD22 ASN 85 2HD2 ASN 85 12.446 6.817 -12.105 638 H PHE 86 H PHE 86 11.891 13.277 -10.286 639 HA PHE 86 HA PHE 86 10.875 12.919 -7.570 640 HB2 PHE 86 1HB PHE 86 12.673 15.025 -8.783 641 HB3 PHE 86 2HB PHE 86 12.147 15.025 -7.103 642 HD1 PHE 86 1HD PHE 86 12.376 12.242 -6.330 643 HD2 PHE 86 2HD PHE 86 14.937 14.599 -8.779 644 HE1 PHE 86 1HE PHE 86 14.273 10.792 -5.736 645 HE2 PHE 86 2HE PHE 86 16.838 13.152 -8.190 646 HZ PHE 86 HZ PHE 86 16.507 11.245 -6.667 647 H LEU 87 H LEU 87 10.545 15.069 -10.353 648 HA LEU 87 HA LEU 87 8.543 16.685 -9.027 649 HB2 LEU 87 1HB LEU 87 9.588 16.690 -11.853 650 HB3 LEU 87 2HB LEU 87 8.405 17.837 -11.228 651 HG LEU 87 HG LEU 87 11.190 17.545 -10.113 652 HD11 LEU 87 1HD1 LEU 87 10.826 18.333 -12.611 653 HD12 LEU 87 2HD1 LEU 87 11.994 19.118 -11.549 654 HD13 LEU 87 3HD1 LEU 87 10.412 19.851 -11.813 655 HD21 LEU 87 3HD2 LEU 87 9.920 18.594 -8.488 656 HD22 LEU 87 1HD2 LEU 87 8.896 19.413 -9.668 657 HD23 LEU 87 2HD2 LEU 87 10.553 19.960 -9.408 658 H LYS 88 H LYS 88 8.165 13.748 -9.643 659 HA LYS 88 HA LYS 88 6.188 13.514 -11.660 660 HB2 LYS 88 1HB LYS 88 5.666 11.333 -10.508 661 HB3 LYS 88 2HB LYS 88 7.342 11.538 -11.000 662 HG2 LYS 88 1HG LYS 88 8.065 11.883 -8.801 663 HG3 LYS 88 2HG LYS 88 6.426 12.183 -8.219 664 HD2 LYS 88 1HD LYS 88 7.114 9.538 -9.429 665 HD3 LYS 88 2HD LYS 88 7.574 9.885 -7.761 666 HE2 LYS 88 1HE LYS 88 5.387 10.012 -7.046 667 HE3 LYS 88 2HE LYS 88 4.776 10.420 -8.648 668 HZ1 LYS 88 3HZ LYS 88 4.258 8.120 -7.826 669 HZ2 LYS 88 1HZ LYS 88 5.902 7.759 -7.996 670 HZ3 LYS 88 2HZ LYS 88 4.988 8.197 -9.350 671 H SER 89 H SER 89 4.929 15.446 -11.032 672 HA SER 89 HA SER 89 3.250 15.167 -8.675 673 HB2 SER 89 1HB SER 89 3.727 17.336 -10.689 674 HB3 SER 89 2HB SER 89 2.269 17.376 -9.698 675 HG SER 89 HG SER 89 4.713 16.934 -8.421 676 H LYS 90 H LYS 90 2.853 13.118 -10.503 677 HA LYS 90 HA LYS 90 1.334 12.167 -11.968 678 HB2 LYS 90 1HB LYS 90 -0.890 12.032 -10.930 679 HB3 LYS 90 2HB LYS 90 0.392 11.797 -9.749 680 HG2 LYS 90 1HG LYS 90 -0.710 14.533 -10.121 681 HG3 LYS 90 2HG LYS 90 -1.670 13.340 -9.242 682 HD2 LYS 90 1HD LYS 90 1.205 13.681 -8.530 683 HD3 LYS 90 2HD LYS 90 0.043 14.895 -7.988 684 HE2 LYS 90 1HE LYS 90 0.036 13.411 -6.222 685 HE3 LYS 90 2HE LYS 90 -1.325 12.834 -7.182 686 HZ1 LYS 90 3HZ LYS 90 0.567 11.229 -6.305 687 HZ2 LYS 90 1HZ LYS 90 1.292 11.685 -7.764 688 HZ3 LYS 90 2HZ LYS 90 -0.234 10.957 -7.770 689 H THR 91 H THR 91 2.054 14.794 -12.838 690 HA THR 91 HA THR 91 -0.374 15.442 -14.342 691 HB THR 91 HB THR 91 1.351 17.555 -13.036 692 HG1 THR 91 1HG THR 91 -0.380 16.175 -11.824 693 HG21 THR 91 3HG2 THR 91 -0.320 19.124 -13.867 694 HG22 THR 91 1HG2 THR 91 -1.209 17.801 -14.622 695 HG23 THR 91 2HG2 THR 91 0.401 18.227 -15.203 696 H ALA 92 H ALA 92 -0.022 16.152 -16.422 697 HA ALA 92 HA ALA 92 2.759 15.963 -17.359 698 HB1 ALA 92 1HB ALA 92 1.255 14.331 -18.344 699 HB2 ALA 92 2HB ALA 92 0.183 15.622 -18.890 700 HB3 ALA 92 3HB ALA 92 1.806 15.477 -19.566 701 H GLY 93 H GLY 93 2.080 18.357 -16.181 702 HA2 GLY 93 1HA GLY 93 2.873 20.252 -18.025 703 HA3 GLY 93 2HA GLY 93 1.116 20.280 -18.054 704 H LYS 94 H LYS 94 3.108 19.632 -15.224 705 HA LYS 94 HA LYS 94 1.927 21.996 -13.947 706 HB2 LYS 94 1HB LYS 94 1.657 19.699 -12.919 707 HB3 LYS 94 2HB LYS 94 3.386 19.723 -12.599 708 HG2 LYS 94 1HG LYS 94 3.203 21.303 -10.958 709 HG3 LYS 94 2HG LYS 94 1.734 22.003 -11.642 710 HD2 LYS 94 1HD LYS 94 0.371 20.451 -10.651 711 HD3 LYS 94 2HD LYS 94 1.624 19.208 -10.625 712 HE2 LYS 94 1HE LYS 94 2.735 20.291 -8.791 713 HE3 LYS 94 2HE LYS 94 1.644 21.673 -8.888 714 HZ1 LYS 94 3HZ LYS 94 -0.189 20.209 -8.279 715 HZ2 LYS 94 1HZ LYS 94 1.016 20.201 -7.091 716 HZ3 LYS 94 2HZ LYS 94 0.873 18.898 -8.160 717 H TYR 95 H TYR 95 4.991 20.239 -13.484 718 HA TYR 95 HA TYR 95 6.348 22.790 -13.086 719 HB2 TYR 95 1HB TYR 95 7.186 19.927 -12.624 720 HB3 TYR 95 2HB TYR 95 8.289 21.286 -12.440 721 HD1 TYR 95 1HD TYR 95 7.756 23.053 -10.717 722 HD2 TYR 95 2HD TYR 95 5.682 19.343 -10.904 723 HE1 TYR 95 1HE TYR 95 6.978 23.379 -8.406 724 HE2 TYR 95 2HE TYR 95 4.897 19.659 -8.595 725 HH TYR 95 HH TYR 95 5.525 20.888 -6.590 726 H ASP 96 H ASP 96 5.524 22.368 -15.706 727 HA ASP 96 HA ASP 96 7.594 21.254 -17.318 728 HB2 ASP 96 1HB ASP 96 5.122 22.849 -17.811 729 HB3 ASP 96 2HB ASP 96 6.336 22.791 -19.085 730 H ARG 97 H ARG 97 6.802 24.507 -16.209 731 HA ARG 97 HA ARG 97 8.701 25.878 -17.789 732 HB2 ARG 97 1HB ARG 97 7.118 26.517 -15.341 733 HB3 ARG 97 2HB ARG 97 8.463 27.567 -15.765 734 HG2 ARG 97 1HG ARG 97 6.644 28.585 -16.773 735 HG3 ARG 97 2HG ARG 97 7.376 27.669 -18.092 736 HD2 ARG 97 1HD ARG 97 5.741 25.933 -17.881 737 HD3 ARG 97 2HD ARG 97 5.096 26.653 -16.406 738 HE ARG 97 HE ARG 97 4.820 28.589 -18.325 739 HH11 ARG 97 2HH1 ARG 97 3.757 25.297 -17.932 740 HH12 ARG 97 1HH1 ARG 97 2.307 25.518 -18.853 741 HH21 ARG 97 2HH2 ARG 97 2.913 28.892 -19.540 742 HH22 ARG 97 1HH2 ARG 97 1.828 27.563 -19.768 743 H VAL 98 H VAL 98 8.870 24.333 -14.636 744 HA VAL 98 HA VAL 98 11.520 25.314 -14.073 745 HB VAL 98 HB VAL 98 9.928 23.138 -12.709 746 HG11 VAL 98 1HG1 VAL 98 12.054 24.568 -11.259 747 HG12 VAL 98 2HG1 VAL 98 11.593 22.865 -11.214 748 HG13 VAL 98 3HG1 VAL 98 12.602 23.472 -12.528 749 HG21 VAL 98 3HG2 VAL 98 9.294 25.761 -12.774 750 HG22 VAL 98 1HG2 VAL 98 8.952 24.700 -11.408 751 HG23 VAL 98 2HG2 VAL 98 10.382 25.731 -11.387 752 H TYR 99 H TYR 99 10.084 22.247 -15.114 753 HA TYR 99 HA TYR 99 12.465 20.741 -15.104 754 HB2 TYR 99 1HB TYR 99 10.233 19.713 -15.181 755 HB3 TYR 99 2HB TYR 99 9.984 20.368 -16.796 756 HD1 TYR 99 1HD TYR 99 11.986 17.964 -14.821 757 HD2 TYR 99 2HD TYR 99 10.853 19.268 -18.710 758 HE1 TYR 99 1HE TYR 99 13.003 15.944 -15.788 759 HE2 TYR 99 2HE TYR 99 11.865 17.251 -19.687 760 HH TYR 99 HH TYR 99 14.015 15.464 -18.398 761 H ASN 100 H ASN 100 10.730 22.242 -17.837 762 HA ASN 100 HA ASN 100 12.379 21.676 -19.910 763 HB2 ASN 100 1HB ASN 100 10.257 23.163 -19.824 764 HB3 ASN 100 2HB ASN 100 11.384 24.493 -19.569 765 HD21 ASN 100 1HD2 ASN 100 9.961 24.812 -21.693 766 HD22 ASN 100 2HD2 ASN 100 10.810 24.418 -23.145 767 H GLY 101 H GLY 101 12.717 24.724 -18.077 768 HA2 GLY 101 1HA GLY 101 15.049 25.678 -19.041 769 HA3 GLY 101 2HA GLY 101 14.635 25.789 -17.337 770 H TYR 102 H TYR 102 14.852 23.242 -16.451 771 HA TYR 102 HA TYR 102 17.568 22.924 -15.997 772 HB2 TYR 102 1HB TYR 102 15.705 21.922 -14.647 773 HB3 TYR 102 2HB TYR 102 15.513 20.709 -15.908 774 HD1 TYR 102 1HD TYR 102 18.634 22.136 -14.458 775 HD2 TYR 102 2HD TYR 102 16.162 18.704 -14.916 776 HE1 TYR 102 1HE TYR 102 20.363 20.755 -13.384 777 HE2 TYR 102 2HE TYR 102 17.883 17.313 -13.843 778 HH TYR 102 HH TYR 102 20.655 18.694 -12.286 779 H VAL 103 H VAL 103 15.490 21.124 -18.257 780 HA VAL 103 HA VAL 103 17.232 19.315 -19.303 781 HB VAL 103 HB VAL 103 15.257 20.971 -20.880 782 HG11 VAL 103 1HG1 VAL 103 16.583 19.969 -22.506 783 HG12 VAL 103 2HG1 VAL 103 16.823 18.506 -21.549 784 HG13 VAL 103 3HG1 VAL 103 15.261 18.820 -22.305 785 HG21 VAL 103 3HG2 VAL 103 13.979 19.923 -19.257 786 HG22 VAL 103 1HG2 VAL 103 13.930 18.759 -20.582 787 HG23 VAL 103 2HG2 VAL 103 15.015 18.496 -19.217 788 H ILE 104 H ILE 104 16.804 22.632 -20.546 789 HA ILE 104 HA ILE 104 18.799 22.579 -22.474 790 HB ILE 104 HB ILE 104 17.856 24.909 -20.801 791 HG12 ILE 104 1HG1 ILE 104 17.161 24.302 -23.667 792 HG13 ILE 104 2HG1 ILE 104 16.240 23.612 -22.335 793 HG21 ILE 104 1HG2 ILE 104 19.413 24.968 -23.382 794 HG22 ILE 104 2HG2 ILE 104 18.844 26.359 -22.461 795 HG23 ILE 104 3HG2 ILE 104 20.085 25.302 -21.787 796 HD11 ILE 104 3HD1 ILE 104 15.549 25.873 -23.515 797 HD12 ILE 104 1HD1 ILE 104 15.281 25.592 -21.795 798 HD13 ILE 104 2HD1 ILE 104 16.670 26.540 -22.329 799 H HIS 105 H HIS 105 19.048 23.775 -19.123 800 HA HIS 105 HA HIS 105 21.611 24.584 -18.963 801 HB2 HIS 105 1HB HIS 105 20.056 24.516 -17.045 802 HB3 HIS 105 2HB HIS 105 20.279 22.772 -16.938 803 HD1 HIS 105 1HD HIS 105 22.066 26.014 -16.312 804 HD2 HIS 105 2HD HIS 105 22.607 21.945 -15.673 805 HE1 HIS 105 1HE HIS 105 24.041 25.833 -14.766 806 HE2 HIS 105 2HE HIS 105 24.402 23.359 -14.461 807 H LEU 106 H LEU 106 20.570 21.191 -18.808 808 HA LEU 106 HA LEU 106 23.067 20.022 -18.420 809 HB2 LEU 106 1HB LEU 106 20.482 19.118 -19.576 810 HB3 LEU 106 2HB LEU 106 21.903 18.106 -19.827 811 HG LEU 106 HG LEU 106 22.193 17.918 -17.400 812 HD11 LEU 106 1HD1 LEU 106 20.001 18.662 -16.125 813 HD12 LEU 106 2HD1 LEU 106 19.956 19.871 -17.408 814 HD13 LEU 106 3HD1 LEU 106 21.362 19.760 -16.349 815 HD21 LEU 106 3HD2 LEU 106 19.370 17.228 -18.197 816 HD22 LEU 106 1HD2 LEU 106 20.378 16.422 -16.995 817 HD23 LEU 106 2HD2 LEU 106 20.790 16.313 -18.706 818 H ASP 107 H ASP 107 21.462 21.041 -21.390 819 HA ASP 107 HA ASP 107 22.938 19.918 -23.361 820 HB2 ASP 107 1HB ASP 107 21.095 21.758 -23.463 821 HB3 ASP 107 2HB ASP 107 22.454 22.879 -23.465 822 H TYR 108 H TYR 108 24.055 22.198 -21.010 823 HA TYR 108 HA TYR 108 26.243 23.360 -22.170 824 HB2 TYR 108 1HB TYR 108 26.994 23.832 -20.039 825 HB3 TYR 108 2HB TYR 108 25.307 23.451 -19.713 826 HD1 TYR 108 1HD TYR 108 24.750 21.083 -18.936 827 HD2 TYR 108 2HD TYR 108 28.711 22.635 -18.987 828 HE1 TYR 108 1HE TYR 108 25.446 19.343 -17.343 829 HE2 TYR 108 2HE TYR 108 29.419 20.899 -17.395 830 HH TYR 108 HH TYR 108 28.822 18.945 -16.416 Start of MODEL 13 1 H1 GLY 1 H GLY 1 39.974 15.005 85.050 2 HA2 GLY 1 1HA GLY 1 41.240 17.253 84.201 3 HA3 GLY 1 2HA GLY 1 42.337 15.972 83.708 4 H SER 2 H SER 2 42.120 15.890 81.554 5 HA SER 2 HA SER 2 39.628 14.937 80.466 6 HB2 SER 2 1HB SER 2 39.601 17.556 80.545 7 HB3 SER 2 2HB SER 2 40.685 17.422 79.160 8 HG SER 2 HG SER 2 39.105 16.498 77.991 9 H SER 3 H SER 3 39.859 14.645 78.014 10 HA SER 3 HA SER 3 42.565 13.624 77.500 11 HB2 SER 3 1HB SER 3 40.860 11.908 77.396 12 HB3 SER 3 2HB SER 3 39.899 12.877 76.279 13 HG SER 3 HG SER 3 42.530 11.998 75.703 14 H GLY 4 H GLY 4 39.856 14.967 75.595 15 HA2 GLY 4 1HA GLY 4 40.210 17.050 74.362 16 HA3 GLY 4 2HA GLY 4 41.857 16.512 74.067 17 H SER 5 H SER 5 42.291 15.364 72.272 18 HA SER 5 HA SER 5 40.527 15.307 70.135 19 HB2 SER 5 1HB SER 5 43.077 15.007 70.131 20 HB3 SER 5 2HB SER 5 42.757 13.302 70.449 21 HG SER 5 HG SER 5 42.475 13.131 68.383 22 H SER 6 H SER 6 39.357 13.644 69.116 23 HA SER 6 HA SER 6 39.067 11.043 70.199 24 HB2 SER 6 1HB SER 6 37.186 13.160 71.124 25 HB3 SER 6 2HB SER 6 36.507 11.579 70.740 26 HG SER 6 HG SER 6 37.147 11.722 72.930 27 H GLY 7 H GLY 7 37.682 9.717 68.954 28 HA2 GLY 7 1HA GLY 7 37.391 10.584 66.244 29 HA3 GLY 7 2HA GLY 7 36.904 9.026 66.896 30 H ASN 8 H ASN 8 35.210 9.798 65.141 31 HA ASN 8 HA ASN 8 32.787 10.209 66.528 32 HB2 ASN 8 1HB ASN 8 33.804 12.559 66.490 33 HB3 ASN 8 2HB ASN 8 33.509 12.538 64.754 34 HD21 ASN 8 1HD2 ASN 8 32.343 13.805 67.397 35 HD22 ASN 8 2HD2 ASN 8 30.644 13.774 67.082 36 H VAL 9 H VAL 9 31.697 8.716 65.418 37 HA VAL 9 HA VAL 9 31.070 7.389 63.626 38 HB VAL 9 HB VAL 9 29.619 8.613 62.077 39 HG11 VAL 9 1HG1 VAL 9 28.864 10.084 64.449 40 HG12 VAL 9 2HG1 VAL 9 28.064 8.719 63.667 41 HG13 VAL 9 3HG1 VAL 9 29.352 8.436 64.839 42 HG21 VAL 9 3HG2 VAL 9 30.837 10.568 61.570 43 HG22 VAL 9 1HG2 VAL 9 29.410 11.117 62.450 44 HG23 VAL 9 2HG2 VAL 9 30.969 11.022 63.269 45 H ASP 10 H ASP 10 33.756 7.706 63.361 46 HA ASP 10 HA ASP 10 34.454 8.777 60.789 47 HB2 ASP 10 1HB ASP 10 35.894 7.360 62.983 48 HB3 ASP 10 2HB ASP 10 36.615 7.344 61.376 49 H SER 11 H SER 11 33.578 7.785 59.069 50 HA SER 11 HA SER 11 34.479 5.204 58.315 51 HB2 SER 11 1HB SER 11 32.660 4.630 59.976 52 HB3 SER 11 2HB SER 11 31.510 5.372 58.863 53 HG SER 11 HG SER 11 33.273 3.278 58.127 54 H ASN 12 H ASN 12 33.268 4.461 56.261 55 HA ASN 12 HA ASN 12 31.786 6.303 54.733 56 HB2 ASN 12 1HB ASN 12 34.216 7.309 54.895 57 HB3 ASN 12 2HB ASN 12 34.569 6.116 53.648 58 HD21 ASN 12 1HD2 ASN 12 34.389 6.829 51.663 59 HD22 ASN 12 2HD2 ASN 12 33.352 8.101 51.121 60 H GLN 13 H GLN 13 31.926 5.674 52.295 61 HA GLN 13 HA GLN 13 32.644 2.887 51.879 62 HB2 GLN 13 1HB GLN 13 30.454 2.184 51.192 63 HB3 GLN 13 2HB GLN 13 30.323 2.877 52.803 64 HG2 GLN 13 1HG GLN 13 29.653 5.039 51.632 65 HG3 GLN 13 2HG GLN 13 29.447 4.049 50.189 66 HE21 GLN 13 1HE2 GLN 13 27.724 5.494 52.406 67 HE22 GLN 13 2HE2 GLN 13 26.429 4.373 52.632 68 H ASN 14 H ASN 14 31.924 2.262 49.525 69 HA ASN 14 HA ASN 14 32.055 4.527 47.698 70 HB2 ASN 14 1HB ASN 14 34.101 2.297 47.641 71 HB3 ASN 14 2HB ASN 14 33.967 3.603 46.467 72 HD21 ASN 14 1HD2 ASN 14 34.419 2.998 49.921 73 HD22 ASN 14 2HD2 ASN 14 35.463 4.347 50.199 74 H LYS 15 H LYS 15 30.782 4.205 45.991 75 HA LYS 15 HA LYS 15 30.006 1.437 45.336 76 HB2 LYS 15 1HB LYS 15 28.380 3.909 45.667 77 HB3 LYS 15 2HB LYS 15 27.894 2.778 44.411 78 HG2 LYS 15 1HG LYS 15 28.347 1.941 47.260 79 HG3 LYS 15 2HG LYS 15 26.786 2.504 46.660 80 HD2 LYS 15 1HD LYS 15 28.219 0.328 45.201 81 HD3 LYS 15 2HD LYS 15 27.354 -0.053 46.692 82 HE2 LYS 15 1HE LYS 15 25.690 -0.395 45.160 83 HE3 LYS 15 2HE LYS 15 25.426 1.308 45.530 84 HZ1 LYS 15 3HZ LYS 15 27.298 1.174 43.470 85 HZ2 LYS 15 1HZ LYS 15 25.712 1.758 43.397 86 HZ3 LYS 15 2HZ LYS 15 26.031 0.134 43.053 87 H ALA 16 H ALA 16 29.057 1.311 43.047 88 HA ALA 16 HA ALA 16 30.919 2.696 41.251 89 HB1 ALA 16 1HB ALA 16 31.227 0.532 40.687 90 HB2 ALA 16 2HB ALA 16 29.626 0.045 41.245 91 HB3 ALA 16 3HB ALA 16 29.813 0.824 39.674 92 H SER 17 H SER 17 30.044 3.172 39.027 93 HA SER 17 HA SER 17 27.572 4.676 39.328 94 HB2 SER 17 1HB SER 17 29.353 5.905 38.316 95 HB3 SER 17 2HB SER 17 29.690 4.604 37.173 96 HG SER 17 HG SER 17 27.187 5.911 37.237 97 H MET 18 H MET 18 28.913 2.500 36.834 98 HA MET 18 HA MET 18 27.935 0.953 35.484 99 HB2 MET 18 1HB MET 18 26.909 0.386 37.862 100 HB3 MET 18 2HB MET 18 25.425 0.939 37.097 101 HG2 MET 18 1HG MET 18 27.089 -1.044 35.647 102 HG3 MET 18 2HG MET 18 26.168 -1.589 37.047 103 HE1 MET 18 3HE MET 18 24.681 -1.241 32.892 104 HE2 MET 18 1HE MET 18 25.969 -0.139 33.376 105 HE3 MET 18 2HE MET 18 26.170 -1.877 33.591 106 H LEU 19 H LEU 19 27.615 3.729 34.920 107 HA LEU 19 HA LEU 19 24.897 3.999 33.900 108 HB2 LEU 19 1HB LEU 19 25.672 5.969 34.905 109 HB3 LEU 19 2HB LEU 19 27.245 5.852 34.119 110 HG LEU 19 HG LEU 19 24.842 6.247 32.407 111 HD11 LEU 19 1HD1 LEU 19 26.169 8.516 33.877 112 HD12 LEU 19 2HD1 LEU 19 24.606 7.830 34.320 113 HD13 LEU 19 3HD1 LEU 19 24.814 8.608 32.751 114 HD21 LEU 19 3HD2 LEU 19 27.540 7.552 32.239 115 HD22 LEU 19 1HD2 LEU 19 26.359 7.284 30.957 116 HD23 LEU 19 2HD2 LEU 19 27.256 5.921 31.628 117 H GLN 20 H GLN 20 24.443 4.434 31.692 118 HA GLN 20 HA GLN 20 26.463 4.220 29.682 119 HB2 GLN 20 1HB GLN 20 25.735 2.126 28.678 120 HB3 GLN 20 2HB GLN 20 26.276 1.853 30.329 121 HG2 GLN 20 1HG GLN 20 23.770 2.087 30.928 122 HG3 GLN 20 2HG GLN 20 23.508 1.780 29.212 123 HE21 GLN 20 1HE2 GLN 20 22.357 -0.062 30.380 124 HE22 GLN 20 2HE2 GLN 20 23.273 -1.510 30.596 125 H ALA 21 H ALA 21 25.308 3.874 27.445 126 HA ALA 21 HA ALA 21 23.519 6.013 27.104 127 HB1 ALA 21 1HB ALA 21 23.717 3.803 25.101 128 HB2 ALA 21 2HB ALA 21 23.582 5.543 24.842 129 HB3 ALA 21 3HB ALA 21 25.102 4.851 25.407 130 H ARG 22 H ARG 22 21.409 5.583 25.739 131 HA ARG 22 HA ARG 22 19.753 3.810 27.388 132 HB2 ARG 22 1HB ARG 22 19.096 6.201 25.672 133 HB3 ARG 22 2HB ARG 22 17.856 5.141 26.328 134 HG2 ARG 22 1HG ARG 22 19.011 5.633 28.603 135 HG3 ARG 22 2HG ARG 22 19.680 7.025 27.750 136 HD2 ARG 22 1HD ARG 22 17.545 7.923 27.328 137 HD3 ARG 22 2HD ARG 22 16.740 6.410 27.743 138 HE ARG 22 HE ARG 22 18.073 7.229 30.019 139 HH11 ARG 22 2HH1 ARG 22 15.560 8.459 27.948 140 HH12 ARG 22 1HH1 ARG 22 14.767 9.339 29.214 141 HH21 ARG 22 2HH2 ARG 22 17.039 8.382 31.694 142 HH22 ARG 22 1HH2 ARG 22 15.610 9.294 31.344 143 H LEU 23 H LEU 23 19.053 1.954 26.577 144 HA LEU 23 HA LEU 23 19.659 1.033 24.014 145 HB2 LEU 23 1HB LEU 23 17.886 0.130 26.218 146 HB3 LEU 23 2HB LEU 23 17.652 -0.597 24.629 147 HG LEU 23 HG LEU 23 20.118 -1.189 24.693 148 HD11 LEU 23 1HD1 LEU 23 20.193 0.453 26.860 149 HD12 LEU 23 2HD1 LEU 23 21.398 -0.778 26.483 150 HD13 LEU 23 3HD1 LEU 23 20.099 -1.136 27.620 151 HD21 LEU 23 3HD2 LEU 23 19.732 -3.188 25.971 152 HD22 LEU 23 1HD2 LEU 23 18.258 -2.782 25.091 153 HD23 LEU 23 2HD2 LEU 23 18.378 -2.436 26.816 154 H ASN 24 H ASN 24 17.774 0.058 22.594 155 HA ASN 24 HA ASN 24 15.748 2.151 22.171 156 HB2 ASN 24 1HB ASN 24 16.170 2.287 19.890 157 HB3 ASN 24 2HB ASN 24 17.794 2.103 20.546 158 HD21 ASN 24 1HD2 ASN 24 15.099 0.305 19.153 159 HD22 ASN 24 2HD2 ASN 24 16.066 -0.927 18.423 160 H ASP 25 H ASP 25 13.731 1.468 21.581 161 HA ASP 25 HA ASP 25 13.323 -1.381 21.041 162 HB2 ASP 25 1HB ASP 25 12.274 0.155 23.371 163 HB3 ASP 25 2HB ASP 25 11.216 -1.040 22.626 164 H GLU 26 H GLU 26 11.876 -1.742 19.474 165 HA GLU 26 HA GLU 26 10.592 0.528 18.229 166 HB2 GLU 26 1HB GLU 26 11.723 -1.469 17.044 167 HB3 GLU 26 2HB GLU 26 10.237 -2.340 17.397 168 HG2 GLU 26 1HG GLU 26 9.073 -0.331 16.260 169 HG3 GLU 26 2HG GLU 26 10.669 -0.004 15.589 170 H ALA 27 H ALA 27 8.648 1.226 18.784 171 HA ALA 27 HA ALA 27 6.747 -0.685 19.976 172 HB1 ALA 27 1HB ALA 27 6.339 0.784 21.590 173 HB2 ALA 27 2HB ALA 27 7.678 1.751 20.970 174 HB3 ALA 27 3HB ALA 27 6.033 2.069 20.420 175 H GLY 28 H GLY 28 5.123 -1.244 18.690 176 HA2 GLY 28 1HA GLY 28 4.576 -0.058 16.206 177 HA3 GLY 28 2HA GLY 28 3.514 -1.171 17.055 178 H GLY 29 H GLY 29 2.532 0.922 15.507 179 HA2 GLY 29 1HA GLY 29 0.581 2.208 15.950 180 HA3 GLY 29 2HA GLY 29 1.159 2.468 17.589 181 H THR 30 H THR 30 1.077 3.660 14.381 182 HA THR 30 HA THR 30 3.177 5.612 14.771 183 HB THR 30 HB THR 30 1.170 5.340 12.524 184 HG1 THR 30 1HG THR 30 2.502 3.621 12.342 185 HG21 THR 30 3HG2 THR 30 3.617 7.073 12.841 186 HG22 THR 30 1HG2 THR 30 1.956 7.596 12.569 187 HG23 THR 30 2HG2 THR 30 2.838 6.761 11.290 188 H ARG 31 H ARG 31 2.290 6.649 16.662 189 HA ARG 31 HA ARG 31 0.230 8.630 15.963 190 HB2 ARG 31 1HB ARG 31 0.470 7.024 18.505 191 HB3 ARG 31 2HB ARG 31 -0.481 8.499 18.399 192 HG2 ARG 31 1HG ARG 31 -1.960 7.527 16.810 193 HG3 ARG 31 2HG ARG 31 -0.918 6.114 16.622 194 HD2 ARG 31 1HD ARG 31 -1.349 5.479 18.937 195 HD3 ARG 31 2HD ARG 31 -2.363 6.906 19.148 196 HE ARG 31 HE ARG 31 -4.067 5.804 18.093 197 HH11 ARG 31 2HH1 ARG 31 -1.073 4.146 17.453 198 HH12 ARG 31 1HH1 ARG 31 -1.835 2.797 16.678 199 HH21 ARG 31 2HH2 ARG 31 -5.081 4.034 17.074 200 HH22 ARG 31 1HH2 ARG 31 -4.115 2.734 16.462 201 H LEU 32 H LEU 32 0.227 10.282 18.015 202 HA LEU 32 HA LEU 32 2.906 11.415 17.961 203 HB2 LEU 32 1HB LEU 32 0.248 12.479 18.888 204 HB3 LEU 32 2HB LEU 32 1.760 13.365 19.073 205 HG LEU 32 HG LEU 32 0.718 12.471 16.395 206 HD11 LEU 32 1HD1 LEU 32 0.453 15.299 17.150 207 HD12 LEU 32 2HD1 LEU 32 -0.656 14.192 17.959 208 HD13 LEU 32 3HD1 LEU 32 -0.616 14.268 16.197 209 HD21 LEU 32 3HD2 LEU 32 2.375 13.754 15.477 210 HD22 LEU 32 1HD2 LEU 32 3.181 13.216 16.951 211 HD23 LEU 32 2HD2 LEU 32 2.470 14.829 16.873 212 H LEU 33 H LEU 33 2.845 9.130 19.476 213 HA LEU 33 HA LEU 33 3.129 10.194 22.207 214 HB2 LEU 33 1HB LEU 33 1.802 7.731 21.225 215 HB3 LEU 33 2HB LEU 33 2.711 7.616 22.730 216 HG LEU 33 HG LEU 33 1.249 9.728 23.361 217 HD11 LEU 33 1HD1 LEU 33 0.241 9.420 20.922 218 HD12 LEU 33 2HD1 LEU 33 -0.725 10.006 22.276 219 HD13 LEU 33 3HD1 LEU 33 -0.826 8.314 21.788 220 HD21 LEU 33 3HD2 LEU 33 0.530 6.820 23.458 221 HD22 LEU 33 1HD2 LEU 33 -0.512 8.044 24.182 222 HD23 LEU 33 2HD2 LEU 33 1.150 7.857 24.744 223 H ARG 34 H ARG 34 4.931 9.592 23.350 224 HA ARG 34 HA ARG 34 6.830 7.778 22.032 225 HB2 ARG 34 1HB ARG 34 8.623 9.433 22.952 226 HB3 ARG 34 2HB ARG 34 7.811 9.788 21.433 227 HG2 ARG 34 1HG ARG 34 6.367 11.369 22.500 228 HG3 ARG 34 2HG ARG 34 6.973 10.915 24.094 229 HD2 ARG 34 1HD ARG 34 8.164 12.843 23.670 230 HD3 ARG 34 2HD ARG 34 9.282 11.600 23.110 231 HE ARG 34 HE ARG 34 8.996 12.345 20.953 232 HH11 ARG 34 2HH1 ARG 34 6.612 13.802 23.029 233 HH12 ARG 34 1HH1 ARG 34 6.074 14.936 21.834 234 HH21 ARG 34 2HH2 ARG 34 8.297 13.832 19.371 235 HH22 ARG 34 1HH2 ARG 34 7.033 14.951 19.753 236 H VAL 35 H VAL 35 6.021 6.266 23.625 237 HA VAL 35 HA VAL 35 6.344 6.753 26.419 238 HB VAL 35 HB VAL 35 5.993 4.286 26.646 239 HG11 VAL 35 1HG1 VAL 35 3.689 4.538 25.203 240 HG12 VAL 35 2HG1 VAL 35 3.938 5.162 26.835 241 HG13 VAL 35 3HG1 VAL 35 4.158 6.221 25.442 242 HG21 VAL 35 3HG2 VAL 35 5.502 2.940 24.734 243 HG22 VAL 35 1HG2 VAL 35 5.601 4.335 23.659 244 HG23 VAL 35 2HG2 VAL 35 7.055 3.724 24.448 245 H HIS 36 H HIS 36 8.357 5.423 23.896 246 HA HIS 36 HA HIS 36 10.501 5.035 25.880 247 HB2 HIS 36 1HB HIS 36 9.486 2.942 24.699 248 HB3 HIS 36 2HB HIS 36 10.418 3.489 23.309 249 HD1 HIS 36 1HD HIS 36 13.096 3.944 24.005 250 HD2 HIS 36 2HD HIS 36 10.883 1.252 26.267 251 HE1 HIS 36 1HE HIS 36 14.789 2.510 25.189 252 HE2 HIS 36 2HE HIS 36 13.426 0.834 26.484 253 H HIS 37 H HIS 37 9.895 5.579 22.411 254 HA HIS 37 HA HIS 37 11.698 7.801 22.347 255 HB2 HIS 37 1HB HIS 37 12.577 5.127 21.374 256 HB3 HIS 37 2HB HIS 37 13.009 6.530 20.401 257 HD1 HIS 37 1HD HIS 37 14.459 4.506 22.831 258 HD2 HIS 37 2HD HIS 37 14.148 8.627 22.404 259 HE1 HIS 37 1HE HIS 37 16.298 5.469 24.250 260 HE2 HIS 37 2HE HIS 37 16.037 7.966 24.043 261 H GLU 38 H GLU 38 12.125 8.309 19.835 262 HA GLU 38 HA GLU 38 9.488 8.642 18.728 263 HB2 GLU 38 1HB GLU 38 10.632 9.958 16.986 264 HB3 GLU 38 2HB GLU 38 11.075 10.479 18.606 265 HG2 GLU 38 1HG GLU 38 13.175 9.282 18.447 266 HG3 GLU 38 2HG GLU 38 12.728 8.675 16.853 267 H SER 39 H SER 39 8.693 7.809 16.818 268 HA SER 39 HA SER 39 9.563 5.206 16.110 269 HB2 SER 39 1HB SER 39 7.202 5.994 15.942 270 HB3 SER 39 2HB SER 39 7.674 7.012 14.581 271 HG SER 39 HG SER 39 6.962 5.162 13.668 272 H ASP 40 H ASP 40 10.058 4.543 13.847 273 HA ASP 40 HA ASP 40 12.057 6.371 12.720 274 HB2 ASP 40 1HB ASP 40 12.667 4.001 13.433 275 HB3 ASP 40 2HB ASP 40 11.718 3.448 12.056 276 H THR 41 H THR 41 11.915 7.157 10.693 277 HA THR 41 HA THR 41 9.731 6.176 8.981 278 HB THR 41 HB THR 41 10.467 9.069 9.460 279 HG1 THR 41 1HG THR 41 8.969 7.699 10.910 280 HG21 THR 41 3HG2 THR 41 9.450 7.893 7.125 281 HG22 THR 41 1HG2 THR 41 9.501 9.609 7.524 282 HG23 THR 41 2HG2 THR 41 8.072 8.654 7.920 283 H GLU 42 H GLU 42 10.619 5.325 7.221 284 HA GLU 42 HA GLU 42 13.128 5.353 6.299 285 HB2 GLU 42 1HB GLU 42 10.919 4.338 5.287 286 HB3 GLU 42 2HB GLU 42 10.996 5.748 4.239 287 HG2 GLU 42 1HG GLU 42 13.101 5.086 3.362 288 HG3 GLU 42 2HG GLU 42 13.271 3.814 4.570 289 H GLU 43 H GLU 43 14.444 6.572 4.940 290 HA GLU 43 HA GLU 43 13.557 9.340 4.458 291 HB2 GLU 43 1HB GLU 43 15.603 10.215 5.170 292 HB3 GLU 43 2HB GLU 43 15.255 8.967 6.358 293 HG2 GLU 43 1HG GLU 43 16.820 7.479 5.381 294 HG3 GLU 43 2HG GLU 43 17.017 8.513 3.967 295 H ARG 44 H ARG 44 15.620 6.673 3.429 296 HA ARG 44 HA ARG 44 16.983 7.530 1.307 297 HB2 ARG 44 1HB ARG 44 15.367 5.053 1.704 298 HB3 ARG 44 2HB ARG 44 16.064 5.348 0.117 299 HG2 ARG 44 1HG ARG 44 17.745 5.471 2.592 300 HG3 ARG 44 2HG ARG 44 17.390 3.937 1.796 301 HD2 ARG 44 1HD ARG 44 19.336 4.484 0.734 302 HD3 ARG 44 2HD ARG 44 18.178 5.262 -0.344 303 HE ARG 44 HE ARG 44 18.844 7.157 1.541 304 HH11 ARG 44 2HH1 ARG 44 20.521 5.262 -0.850 305 HH12 ARG 44 1HH1 ARG 44 21.749 6.454 -1.123 306 HH21 ARG 44 2HH2 ARG 44 20.455 8.733 1.191 307 HH22 ARG 44 1HH2 ARG 44 21.711 8.427 0.040 308 H GLY 45 H GLY 45 16.366 9.178 0.024 309 HA2 GLY 45 1HA GLY 45 15.374 10.003 -1.921 310 HA3 GLY 45 2HA GLY 45 14.230 8.670 -1.875 311 H PHE 46 H PHE 46 13.158 8.982 0.658 312 HA PHE 46 HA PHE 46 11.053 10.655 0.323 313 HB2 PHE 46 1HB PHE 46 10.908 9.219 2.164 314 HB3 PHE 46 2HB PHE 46 12.456 9.743 2.816 315 HD1 PHE 46 2HD PHE 46 12.634 11.973 3.907 316 HD2 PHE 46 1HD PHE 46 8.896 10.294 2.756 317 HE1 PHE 46 2HE PHE 46 11.473 13.544 5.402 318 HE2 PHE 46 1HE PHE 46 7.728 11.864 4.248 319 HZ PHE 46 HZ PHE 46 9.017 13.491 5.574 320 H LEU 47 H LEU 47 14.082 11.519 1.980 321 HA LEU 47 HA LEU 47 13.347 14.216 2.449 322 HB2 LEU 47 1HB LEU 47 15.837 12.613 2.619 323 HB3 LEU 47 2HB LEU 47 16.003 14.366 2.545 324 HG LEU 47 HG LEU 47 14.227 13.064 4.583 325 HD11 LEU 47 1HD1 LEU 47 17.029 12.698 4.391 326 HD12 LEU 47 2HD1 LEU 47 15.944 12.217 5.695 327 HD13 LEU 47 3HD1 LEU 47 16.717 13.801 5.732 328 HD21 LEU 47 3HD2 LEU 47 14.201 15.101 5.601 329 HD22 LEU 47 1HD2 LEU 47 14.430 15.626 3.933 330 HD23 LEU 47 2HD2 LEU 47 15.811 15.536 5.025 331 H GLU 48 H GLU 48 15.541 12.746 0.055 332 HA GLU 48 HA GLU 48 16.339 14.966 -1.326 333 HB2 GLU 48 1HB GLU 48 16.973 12.536 -1.738 334 HB3 GLU 48 2HB GLU 48 15.516 12.420 -2.716 335 HG2 GLU 48 1HG GLU 48 16.332 14.042 -4.259 336 HG3 GLU 48 2HG GLU 48 17.704 14.419 -3.218 337 H LYS 49 H LYS 49 13.576 12.952 -2.351 338 HA LYS 49 HA LYS 49 12.512 14.400 -4.340 339 HB2 LYS 49 1HB LYS 49 11.595 12.332 -2.910 340 HB3 LYS 49 2HB LYS 49 10.545 13.586 -2.264 341 HG2 LYS 49 1HG LYS 49 9.407 13.834 -4.210 342 HG3 LYS 49 2HG LYS 49 10.804 13.426 -5.209 343 HD2 LYS 49 1HD LYS 49 9.318 11.416 -3.526 344 HD3 LYS 49 2HD LYS 49 8.941 11.735 -5.221 345 HE2 LYS 49 1HE LYS 49 11.763 11.140 -4.501 346 HE3 LYS 49 2HE LYS 49 10.608 9.808 -4.488 347 HZ1 LYS 49 3HZ LYS 49 10.780 11.612 -6.813 348 HZ2 LYS 49 1HZ LYS 49 10.210 10.020 -6.740 349 HZ3 LYS 49 2HZ LYS 49 11.870 10.329 -6.645 350 H ALA 50 H ALA 50 12.059 15.125 -0.896 351 HA ALA 50 HA ALA 50 10.317 17.275 -1.123 352 HB1 ALA 50 1HB ALA 50 11.475 16.020 0.950 353 HB2 ALA 50 2HB ALA 50 12.411 17.516 0.941 354 HB3 ALA 50 3HB ALA 50 10.654 17.575 1.089 355 H ALA 51 H ALA 51 13.810 17.630 -0.493 356 HA ALA 51 HA ALA 51 14.107 20.288 -0.963 357 HB1 ALA 51 1HB ALA 51 16.432 19.661 -1.859 358 HB2 ALA 51 2HB ALA 51 16.009 19.166 -0.219 359 HB3 ALA 51 3HB ALA 51 15.950 17.995 -1.536 360 H VAL 52 H VAL 52 14.783 17.865 -3.498 361 HA VAL 52 HA VAL 52 15.114 19.443 -5.664 362 HB VAL 52 HB VAL 52 13.429 16.935 -5.685 363 HG11 VAL 52 1HG1 VAL 52 14.873 16.983 -8.003 364 HG12 VAL 52 2HG1 VAL 52 13.192 17.495 -7.843 365 HG13 VAL 52 3HG1 VAL 52 14.489 18.688 -7.773 366 HG21 VAL 52 3HG2 VAL 52 16.014 17.172 -4.778 367 HG22 VAL 52 1HG2 VAL 52 15.265 15.695 -5.385 368 HG23 VAL 52 2HG2 VAL 52 16.228 16.703 -6.465 369 H LYS 53 H LYS 53 11.930 18.252 -4.583 370 HA LYS 53 HA LYS 53 10.387 19.643 -6.445 371 HB2 LYS 53 1HB LYS 53 9.829 18.545 -3.710 372 HB3 LYS 53 2HB LYS 53 8.600 19.478 -4.553 373 HG2 LYS 53 1HG LYS 53 9.933 17.047 -5.719 374 HG3 LYS 53 2HG LYS 53 8.419 17.000 -4.812 375 HD2 LYS 53 1HD LYS 53 8.636 18.913 -7.079 376 HD3 LYS 53 2HD LYS 53 8.460 17.197 -7.454 377 HE2 LYS 53 1HE LYS 53 6.608 18.893 -5.784 378 HE3 LYS 53 2HE LYS 53 6.282 18.229 -7.385 379 HZ1 LYS 53 3HZ LYS 53 7.008 16.109 -5.731 380 HZ2 LYS 53 1HZ LYS 53 5.490 16.425 -6.408 381 HZ3 LYS 53 2HZ LYS 53 5.875 17.029 -4.876 382 H LYS 54 H LYS 54 11.520 20.608 -3.236 383 HA LYS 54 HA LYS 54 10.125 23.032 -3.047 384 HB2 LYS 54 1HB LYS 54 11.628 21.696 -1.325 385 HB3 LYS 54 2HB LYS 54 12.872 22.798 -1.901 386 HG2 LYS 54 1HG LYS 54 11.741 24.679 -1.098 387 HG3 LYS 54 2HG LYS 54 10.220 23.800 -0.926 388 HD2 LYS 54 1HD LYS 54 11.576 22.349 0.765 389 HD3 LYS 54 2HD LYS 54 12.653 23.746 0.812 390 HE2 LYS 54 1HE LYS 54 10.586 25.140 1.278 391 HE3 LYS 54 2HE LYS 54 9.736 23.618 1.539 392 HZ1 LYS 54 3HZ LYS 54 10.847 24.884 3.515 393 HZ2 LYS 54 1HZ LYS 54 12.244 24.091 2.984 394 HZ3 LYS 54 2HZ LYS 54 10.887 23.194 3.448 395 H MET 55 H MET 55 13.522 22.497 -4.006 396 HA MET 55 HA MET 55 14.282 25.016 -4.672 397 HB2 MET 55 1HB MET 55 14.885 22.598 -6.381 398 HB3 MET 55 2HB MET 55 15.853 24.059 -6.240 399 HG2 MET 55 1HG MET 55 16.175 23.505 -3.822 400 HG3 MET 55 2HG MET 55 15.395 21.958 -4.142 401 HE1 MET 55 3HE MET 55 19.628 23.253 -5.202 402 HE2 MET 55 1HE MET 55 18.249 24.350 -5.122 403 HE3 MET 55 2HE MET 55 18.792 23.509 -3.670 404 H ALA 56 H ALA 56 12.041 22.983 -6.404 405 HA ALA 56 HA ALA 56 11.977 24.680 -8.742 406 HB1 ALA 56 1HB ALA 56 10.706 22.139 -7.915 407 HB2 ALA 56 2HB ALA 56 9.839 23.124 -9.093 408 HB3 ALA 56 3HB ALA 56 11.481 22.580 -9.437 409 H LYS 57 H LYS 57 9.782 23.921 -6.049 410 HA LYS 57 HA LYS 57 7.623 25.489 -6.745 411 HB2 LYS 57 1HB LYS 57 8.780 24.769 -4.061 412 HB3 LYS 57 2HB LYS 57 7.317 25.735 -4.201 413 HG2 LYS 57 1HG LYS 57 6.107 23.980 -5.150 414 HG3 LYS 57 2HG LYS 57 7.567 23.077 -5.562 415 HD2 LYS 57 1HD LYS 57 8.003 22.822 -3.114 416 HD3 LYS 57 2HD LYS 57 6.425 23.553 -2.811 417 HE2 LYS 57 1HE LYS 57 5.508 21.716 -4.356 418 HE3 LYS 57 2HE LYS 57 7.066 20.927 -4.116 419 HZ1 LYS 57 3HZ LYS 57 4.905 21.394 -2.190 420 HZ2 LYS 57 1HZ LYS 57 6.497 21.347 -1.619 421 HZ3 LYS 57 2HZ LYS 57 5.851 20.013 -2.433 422 H ALA 58 H ALA 58 10.521 26.453 -4.931 423 HA ALA 58 HA ALA 58 9.811 29.083 -4.374 424 HB1 ALA 58 1HB ALA 58 11.738 28.814 -3.293 425 HB2 ALA 58 2HB ALA 58 12.241 27.506 -4.364 426 HB3 ALA 58 3HB ALA 58 12.542 29.184 -4.819 427 H ILE 59 H ILE 59 11.188 27.672 -7.291 428 HA ILE 59 HA ILE 59 11.772 30.114 -8.602 429 HB ILE 59 HB ILE 59 11.190 27.406 -9.808 430 HG12 ILE 59 1HG1 ILE 59 13.882 28.677 -9.314 431 HG13 ILE 59 2HG1 ILE 59 13.115 27.604 -8.148 432 HG21 ILE 59 1HG2 ILE 59 10.953 28.999 -11.531 433 HG22 ILE 59 2HG2 ILE 59 12.339 29.930 -10.965 434 HG23 ILE 59 3HG2 ILE 59 12.583 28.348 -11.704 435 HD11 ILE 59 3HD1 ILE 59 13.576 25.765 -9.347 436 HD12 ILE 59 1HD1 ILE 59 13.297 26.569 -10.892 437 HD13 ILE 59 2HD1 ILE 59 14.829 26.790 -10.047 438 H MET 60 H MET 60 8.940 27.998 -8.582 439 HA MET 60 HA MET 60 7.444 29.061 -10.621 440 HB2 MET 60 1HB MET 60 6.343 28.268 -7.922 441 HB3 MET 60 2HB MET 60 5.474 28.283 -9.451 442 HG2 MET 60 1HG MET 60 6.933 26.512 -10.294 443 HG3 MET 60 2HG MET 60 7.792 26.494 -8.755 444 HE1 MET 60 3HE MET 60 5.445 25.289 -10.939 445 HE2 MET 60 1HE MET 60 5.085 23.770 -10.118 446 HE3 MET 60 2HE MET 60 3.891 25.067 -10.134 447 H ALA 61 H ALA 61 8.388 30.578 -7.695 448 HA ALA 61 HA ALA 61 6.426 32.733 -8.081 449 HB1 ALA 61 1HB ALA 61 6.915 33.420 -5.817 450 HB2 ALA 61 2HB ALA 61 6.520 31.701 -5.842 451 HB3 ALA 61 3HB ALA 61 8.200 32.217 -5.698 452 H ASP 62 H ASP 62 9.852 32.395 -7.130 453 HA ASP 62 HA ASP 62 10.386 35.003 -8.361 454 HB2 ASP 62 1HB ASP 62 11.936 33.331 -6.383 455 HB3 ASP 62 2HB ASP 62 12.613 34.761 -7.158 456 HA PRO 63 HA PRO 63 12.121 32.814 -11.828 457 HB2 PRO 63 1HB PRO 63 12.944 35.025 -13.171 458 HB3 PRO 63 2HB PRO 63 11.256 34.501 -13.126 459 HG2 PRO 63 1HG PRO 63 12.625 36.620 -11.514 460 HG3 PRO 63 2HG PRO 63 11.032 36.660 -12.293 461 HD2 PRO 63 1HD PRO 63 11.348 36.194 -9.644 462 HD3 PRO 63 2HD PRO 63 10.031 35.472 -10.590 463 H ASN 64 H ASN 64 13.867 35.507 -10.286 464 HA ASN 64 HA ASN 64 16.402 35.106 -11.220 465 HB2 ASN 64 1HB ASN 64 15.351 36.041 -8.575 466 HB3 ASN 64 2HB ASN 64 17.086 35.822 -8.786 467 HD21 ASN 64 1HD2 ASN 64 14.361 37.212 -10.590 468 HD22 ASN 64 2HD2 ASN 64 15.181 38.666 -11.037 469 H LYS 65 H LYS 65 14.782 33.347 -8.617 470 HA LYS 65 HA LYS 65 16.984 31.814 -7.778 471 HB2 LYS 65 1HB LYS 65 14.017 31.552 -7.547 472 HB3 LYS 65 2HB LYS 65 15.018 30.168 -7.128 473 HG2 LYS 65 1HG LYS 65 15.659 32.830 -5.955 474 HG3 LYS 65 2HG LYS 65 14.304 31.900 -5.310 475 HD2 LYS 65 1HD LYS 65 15.702 30.106 -4.688 476 HD3 LYS 65 2HD LYS 65 17.044 30.710 -5.662 477 HE2 LYS 65 1HE LYS 65 17.282 32.620 -4.171 478 HE3 LYS 65 2HE LYS 65 15.908 32.065 -3.217 479 HZ1 LYS 65 3HZ LYS 65 17.943 31.431 -2.145 480 HZ2 LYS 65 1HZ LYS 65 18.507 30.667 -3.545 481 HZ3 LYS 65 2HZ LYS 65 17.175 30.035 -2.715 482 H ALA 66 H ALA 66 14.649 31.360 -10.363 483 HA ALA 66 HA ALA 66 14.872 28.765 -11.071 484 HB1 ALA 66 1HB ALA 66 13.714 30.746 -12.278 485 HB2 ALA 66 2HB ALA 66 15.205 30.819 -13.219 486 HB3 ALA 66 3HB ALA 66 14.234 29.347 -13.217 487 H ASP 67 H ASP 67 17.128 31.260 -12.271 488 HA ASP 67 HA ASP 67 18.922 29.541 -13.517 489 HB2 ASP 67 1HB ASP 67 20.593 31.501 -12.835 490 HB3 ASP 67 2HB ASP 67 19.367 31.715 -14.081 491 H GLU 68 H GLU 68 19.142 30.931 -10.241 492 HA GLU 68 HA GLU 68 21.468 29.809 -9.364 493 HB2 GLU 68 1HB GLU 68 18.918 30.046 -7.757 494 HB3 GLU 68 2HB GLU 68 20.539 29.887 -7.095 495 HG2 GLU 68 1HG GLU 68 19.940 32.143 -8.944 496 HG3 GLU 68 2HG GLU 68 19.388 32.222 -7.272 497 H VAL 69 H VAL 69 18.256 28.307 -8.950 498 HA VAL 69 HA VAL 69 19.058 25.889 -7.895 499 HB VAL 69 HB VAL 69 16.770 26.350 -9.813 500 HG11 VAL 69 1HG1 VAL 69 17.654 24.008 -8.242 501 HG12 VAL 69 2HG1 VAL 69 15.925 24.360 -8.235 502 HG13 VAL 69 3HG1 VAL 69 16.764 24.086 -9.762 503 HG21 VAL 69 3HG2 VAL 69 15.718 27.410 -8.167 504 HG22 VAL 69 1HG2 VAL 69 16.010 26.063 -7.066 505 HG23 VAL 69 2HG2 VAL 69 17.204 27.351 -7.220 506 H TYR 70 H TYR 70 18.272 26.431 -11.335 507 HA TYR 70 HA TYR 70 18.966 24.093 -12.458 508 HB2 TYR 70 1HB TYR 70 19.622 26.865 -13.458 509 HB3 TYR 70 2HB TYR 70 19.826 25.417 -14.438 510 HD1 TYR 70 1HD TYR 70 17.425 23.870 -13.732 511 HD2 TYR 70 2HD TYR 70 17.880 28.036 -14.467 512 HE1 TYR 70 1HE TYR 70 15.067 24.001 -14.420 513 HE2 TYR 70 2HE TYR 70 15.524 28.178 -15.156 514 HH TYR 70 HH TYR 70 13.771 26.658 -16.042 515 H LYS 71 H LYS 71 21.316 26.679 -11.760 516 HA LYS 71 HA LYS 71 23.596 25.222 -12.538 517 HB2 LYS 71 1HB LYS 71 23.085 27.682 -10.942 518 HB3 LYS 71 2HB LYS 71 24.668 26.931 -10.792 519 HG2 LYS 71 1HG LYS 71 25.002 28.456 -12.484 520 HG3 LYS 71 2HG LYS 71 24.662 26.974 -13.382 521 HD2 LYS 71 1HD LYS 71 22.572 27.692 -14.034 522 HD3 LYS 71 2HD LYS 71 22.407 28.794 -12.666 523 HE2 LYS 71 1HE LYS 71 22.714 30.169 -14.554 524 HE3 LYS 71 2HE LYS 71 24.269 30.154 -13.723 525 HZ1 LYS 71 3HZ LYS 71 25.245 28.956 -15.370 526 HZ2 LYS 71 1HZ LYS 71 24.082 29.760 -16.300 527 HZ3 LYS 71 2HZ LYS 71 23.820 28.161 -15.816 528 H LYS 72 H LYS 72 21.911 25.517 -9.459 529 HA LYS 72 HA LYS 72 23.821 24.242 -7.840 530 HB2 LYS 72 1HB LYS 72 20.839 24.585 -7.613 531 HB3 LYS 72 2HB LYS 72 21.757 23.703 -6.399 532 HG2 LYS 72 1HG LYS 72 23.225 25.877 -6.386 533 HG3 LYS 72 2HG LYS 72 21.757 26.607 -7.040 534 HD2 LYS 72 1HD LYS 72 21.507 24.849 -4.654 535 HD3 LYS 72 2HD LYS 72 22.201 26.457 -4.433 536 HE2 LYS 72 1HE LYS 72 19.620 26.049 -5.909 537 HE3 LYS 72 2HE LYS 72 19.662 26.177 -4.152 538 HZ1 LYS 72 3HZ LYS 72 19.242 28.305 -5.343 539 HZ2 LYS 72 1HZ LYS 72 20.812 28.220 -5.969 540 HZ3 LYS 72 2HZ LYS 72 20.573 28.349 -4.300 541 H TRP 73 H TRP 73 20.771 22.865 -9.084 542 HA TRP 73 HA TRP 73 21.050 20.266 -8.397 543 HB2 TRP 73 1HB TRP 73 19.926 21.527 -10.878 544 HB3 TRP 73 2HB TRP 73 19.952 19.773 -10.714 545 HD1 TRP 73 HD TRP 73 19.267 19.854 -7.497 546 HE1 TRP 73 1HE TRP 73 16.825 20.306 -6.821 547 HE3 TRP 73 3HE TRP 73 17.620 22.038 -11.816 548 HZ2 TRP 73 2HZ TRP 73 14.507 21.439 -7.967 549 HZ3 TRP 73 3HZ TRP 73 15.277 22.777 -11.945 550 HH2 TRP 73 HH TRP 73 13.754 22.482 -10.060 551 H ALA 74 H ALA 74 22.147 21.463 -11.577 552 HA ALA 74 HA ALA 74 23.436 19.347 -12.592 553 HB1 ALA 74 1HB ALA 74 23.663 22.171 -12.897 554 HB2 ALA 74 2HB ALA 74 25.277 21.461 -12.940 555 HB3 ALA 74 3HB ALA 74 24.035 20.898 -14.059 556 H ASP 75 H ASP 75 24.783 21.471 -10.090 557 HA ASP 75 HA ASP 75 27.271 20.131 -9.888 558 HB2 ASP 75 1HB ASP 75 26.553 22.486 -9.025 559 HB3 ASP 75 2HB ASP 75 26.036 21.610 -7.587 560 H LYS 76 H LYS 76 24.316 19.969 -7.912 561 HA LYS 76 HA LYS 76 25.096 18.164 -5.999 562 HB2 LYS 76 1HB LYS 76 22.501 18.799 -7.306 563 HB3 LYS 76 2HB LYS 76 22.577 17.332 -6.338 564 HG2 LYS 76 1HG LYS 76 21.770 19.317 -5.097 565 HG3 LYS 76 2HG LYS 76 23.206 18.572 -4.391 566 HD2 LYS 76 1HD LYS 76 23.515 20.817 -6.337 567 HD3 LYS 76 2HD LYS 76 23.064 21.170 -4.668 568 HE2 LYS 76 1HE LYS 76 25.090 19.526 -4.178 569 HE3 LYS 76 2HE LYS 76 25.600 20.085 -5.771 570 HZ1 LYS 76 3HZ LYS 76 24.925 21.871 -3.497 571 HZ2 LYS 76 1HZ LYS 76 25.540 22.343 -5.001 572 HZ3 LYS 76 2HZ LYS 76 26.497 21.435 -3.942 573 H GLY 77 H GLY 77 23.929 17.464 -9.275 574 HA2 GLY 77 1HA GLY 77 25.001 15.619 -10.466 575 HA3 GLY 77 2HA GLY 77 25.000 14.731 -8.949 576 H TYR 78 H TYR 78 22.491 16.537 -10.721 577 HA TYR 78 HA TYR 78 20.753 14.179 -10.451 578 HB2 TYR 78 1HB TYR 78 20.038 17.087 -10.875 579 HB3 TYR 78 2HB TYR 78 18.876 15.769 -10.793 580 HD1 TYR 78 1HD TYR 78 18.959 14.322 -8.615 581 HD2 TYR 78 2HD TYR 78 20.578 18.243 -8.939 582 HE1 TYR 78 1HE TYR 78 18.852 14.563 -6.169 583 HE2 TYR 78 2HE TYR 78 20.477 18.494 -6.495 584 HH TYR 78 HH TYR 78 20.464 16.931 -4.483 585 H THR 79 H THR 79 19.269 13.728 -12.231 586 HA THR 79 HA THR 79 20.247 14.635 -14.851 587 HB THR 79 HB THR 79 19.807 12.263 -15.679 588 HG1 THR 79 1HG THR 79 20.250 10.745 -13.796 589 HG21 THR 79 3HG2 THR 79 22.028 11.484 -15.041 590 HG22 THR 79 1HG2 THR 79 22.086 12.669 -13.737 591 HG23 THR 79 2HG2 THR 79 22.064 13.206 -15.417 592 H LEU 80 H LEU 80 18.685 13.999 -16.630 593 HA LEU 80 HA LEU 80 16.181 15.118 -16.155 594 HB2 LEU 80 1HB LEU 80 16.879 13.168 -18.343 595 HB3 LEU 80 2HB LEU 80 15.565 14.341 -18.355 596 HG LEU 80 HG LEU 80 18.501 15.038 -18.346 597 HD11 LEU 80 1HD1 LEU 80 18.466 14.554 -20.513 598 HD12 LEU 80 2HD1 LEU 80 17.322 15.879 -20.721 599 HD13 LEU 80 3HD1 LEU 80 16.732 14.235 -20.480 600 HD21 LEU 80 3HD2 LEU 80 17.067 16.735 -17.317 601 HD22 LEU 80 1HD2 LEU 80 16.049 16.747 -18.757 602 HD23 LEU 80 2HD2 LEU 80 17.724 17.290 -18.858 603 H THR 81 H THR 81 16.993 11.680 -16.638 604 HA THR 81 HA THR 81 14.527 10.539 -16.322 605 HB THR 81 HB THR 81 17.051 9.408 -15.104 606 HG1 THR 81 1HG THR 81 16.074 9.239 -17.780 607 HG21 THR 81 3HG2 THR 81 14.373 8.320 -15.801 608 HG22 THR 81 1HG2 THR 81 15.440 7.918 -14.456 609 HG23 THR 81 2HG2 THR 81 15.776 7.287 -16.068 610 H GLN 82 H GLN 82 16.858 11.059 -13.667 611 HA GLN 82 HA GLN 82 15.011 10.385 -11.628 612 HB2 GLN 82 1HB GLN 82 17.679 11.767 -11.649 613 HB3 GLN 82 2HB GLN 82 16.743 11.634 -10.165 614 HG2 GLN 82 1HG GLN 82 18.534 9.867 -10.650 615 HG3 GLN 82 2HG GLN 82 16.953 9.331 -10.084 616 HE21 GLN 82 1HE2 GLN 82 19.115 9.521 -12.802 617 HE22 GLN 82 2HE2 GLN 82 18.293 8.372 -13.795 618 H MET 83 H MET 83 16.484 13.567 -12.296 619 HA MET 83 HA MET 83 15.062 15.208 -10.736 620 HB2 MET 83 1HB MET 83 16.696 16.102 -12.252 621 HB3 MET 83 2HB MET 83 15.734 15.638 -13.648 622 HG2 MET 83 1HG MET 83 15.428 17.943 -13.428 623 HG3 MET 83 2HG MET 83 13.961 17.218 -12.775 624 HE1 MET 83 3HE MET 83 17.515 18.129 -11.860 625 HE2 MET 83 1HE MET 83 17.414 18.924 -10.289 626 HE3 MET 83 2HE MET 83 17.286 17.168 -10.399 627 H SER 84 H SER 84 13.900 14.172 -13.945 628 HA SER 84 HA SER 84 11.436 15.409 -13.933 629 HB2 SER 84 1HB SER 84 10.726 13.745 -15.558 630 HB3 SER 84 2HB SER 84 12.407 14.180 -15.866 631 HG SER 84 HG SER 84 12.894 12.167 -15.582 632 H ASN 85 H ASN 85 12.248 12.182 -12.681 633 HA ASN 85 HA ASN 85 9.690 11.451 -11.835 634 HB2 ASN 85 1HB ASN 85 12.462 10.615 -11.149 635 HB3 ASN 85 2HB ASN 85 11.179 10.136 -10.043 636 HD21 ASN 85 1HD2 ASN 85 11.614 10.341 -13.563 637 HD22 ASN 85 2HD2 ASN 85 11.014 8.755 -13.897 638 H PHE 86 H PHE 86 12.278 13.136 -10.086 639 HA PHE 86 HA PHE 86 10.951 13.332 -7.617 640 HB2 PHE 86 1HB PHE 86 13.076 15.091 -8.854 641 HB3 PHE 86 2HB PHE 86 12.542 15.222 -7.182 642 HD1 PHE 86 1HD PHE 86 12.357 12.553 -6.217 643 HD2 PHE 86 2HD PHE 86 15.189 14.209 -8.929 644 HE1 PHE 86 1HE PHE 86 13.986 10.830 -5.562 645 HE2 PHE 86 2HE PHE 86 16.823 12.488 -8.279 646 HZ PHE 86 HZ PHE 86 16.222 10.795 -6.594 647 H LEU 87 H LEU 87 11.368 15.844 -10.119 648 HA LEU 87 HA LEU 87 9.649 17.723 -8.976 649 HB2 LEU 87 1HB LEU 87 10.547 17.236 -11.797 650 HB3 LEU 87 2HB LEU 87 9.443 18.550 -11.396 651 HG LEU 87 HG LEU 87 12.224 18.226 -10.270 652 HD11 LEU 87 1HD1 LEU 87 11.426 19.100 -12.821 653 HD12 LEU 87 2HD1 LEU 87 13.019 19.232 -12.076 654 HD13 LEU 87 3HD1 LEU 87 11.854 20.544 -11.903 655 HD21 LEU 87 3HD2 LEU 87 11.877 20.545 -9.507 656 HD22 LEU 87 1HD2 LEU 87 10.754 19.410 -8.758 657 HD23 LEU 87 2HD2 LEU 87 10.205 20.459 -10.066 658 H LYS 88 H LYS 88 8.989 14.902 -10.899 659 HA LYS 88 HA LYS 88 6.375 15.545 -11.737 660 HB2 LYS 88 1HB LYS 88 7.977 13.050 -11.474 661 HB3 LYS 88 2HB LYS 88 6.233 12.880 -11.625 662 HG2 LYS 88 1HG LYS 88 6.241 14.024 -13.729 663 HG3 LYS 88 2HG LYS 88 7.952 14.420 -13.556 664 HD2 LYS 88 1HD LYS 88 8.086 12.590 -14.933 665 HD3 LYS 88 2HD LYS 88 8.200 11.809 -13.355 666 HE2 LYS 88 1HE LYS 88 6.619 10.515 -14.447 667 HE3 LYS 88 2HE LYS 88 5.623 11.639 -13.524 668 HZ1 LYS 88 3HZ LYS 88 4.742 11.540 -15.702 669 HZ2 LYS 88 1HZ LYS 88 6.261 11.754 -16.416 670 HZ3 LYS 88 2HZ LYS 88 5.532 13.030 -15.579 671 H SER 89 H SER 89 4.740 16.032 -10.437 672 HA SER 89 HA SER 89 4.546 14.694 -7.828 673 HB2 SER 89 1HB SER 89 4.558 17.292 -8.138 674 HB3 SER 89 2HB SER 89 2.873 17.062 -8.607 675 HG SER 89 HG SER 89 3.787 17.261 -6.186 676 H LYS 90 H LYS 90 3.753 13.469 -10.359 677 HA LYS 90 HA LYS 90 2.067 12.205 -11.214 678 HB2 LYS 90 1HB LYS 90 1.212 12.555 -8.363 679 HB3 LYS 90 2HB LYS 90 0.143 11.745 -9.501 680 HG2 LYS 90 1HG LYS 90 2.341 10.366 -10.020 681 HG3 LYS 90 2HG LYS 90 2.740 10.864 -8.374 682 HD2 LYS 90 1HD LYS 90 1.630 8.902 -7.953 683 HD3 LYS 90 2HD LYS 90 0.287 10.045 -7.883 684 HE2 LYS 90 1HE LYS 90 -0.431 8.211 -9.210 685 HE3 LYS 90 2HE LYS 90 -0.123 9.552 -10.312 686 HZ1 LYS 90 3HZ LYS 90 1.659 7.232 -9.805 687 HZ2 LYS 90 1HZ LYS 90 2.073 8.563 -10.765 688 HZ3 LYS 90 2HZ LYS 90 0.795 7.554 -11.224 689 H THR 91 H THR 91 2.009 15.041 -11.655 690 HA THR 91 HA THR 91 -0.892 15.516 -11.858 691 HB THR 91 HB THR 91 1.162 17.695 -12.108 692 HG1 THR 91 1HG THR 91 1.289 16.443 -10.039 693 HG21 THR 91 3HG2 THR 91 -1.041 18.719 -10.874 694 HG22 THR 91 1HG2 THR 91 -1.760 17.481 -11.904 695 HG23 THR 91 2HG2 THR 91 -0.762 18.750 -12.615 696 H ALA 92 H ALA 92 -1.475 16.953 -13.763 697 HA ALA 92 HA ALA 92 -0.199 15.841 -16.149 698 HB1 ALA 92 1HB ALA 92 -2.214 15.885 -17.123 699 HB2 ALA 92 2HB ALA 92 -2.834 16.125 -15.489 700 HB3 ALA 92 3HB ALA 92 -2.565 17.513 -16.543 701 H GLY 93 H GLY 93 1.507 17.588 -15.145 702 HA2 GLY 93 1HA GLY 93 2.761 19.228 -16.385 703 HA3 GLY 93 2HA GLY 93 1.238 19.907 -16.941 704 H LYS 94 H LYS 94 3.240 19.449 -14.055 705 HA LYS 94 HA LYS 94 2.016 21.879 -12.923 706 HB2 LYS 94 1HB LYS 94 1.670 19.807 -11.595 707 HB3 LYS 94 2HB LYS 94 3.415 19.641 -11.446 708 HG2 LYS 94 1HG LYS 94 3.588 21.558 -10.095 709 HG3 LYS 94 2HG LYS 94 1.952 22.084 -10.497 710 HD2 LYS 94 1HD LYS 94 1.209 19.869 -9.407 711 HD3 LYS 94 2HD LYS 94 2.829 19.842 -8.706 712 HE2 LYS 94 1HE LYS 94 1.397 20.865 -7.110 713 HE3 LYS 94 2HE LYS 94 2.373 22.148 -7.823 714 HZ1 LYS 94 3HZ LYS 94 0.158 22.927 -7.719 715 HZ2 LYS 94 1HZ LYS 94 -0.463 21.508 -8.400 716 HZ3 LYS 94 2HZ LYS 94 0.455 22.568 -9.346 717 H TYR 95 H TYR 95 5.082 20.061 -12.993 718 HA TYR 95 HA TYR 95 6.504 22.627 -12.737 719 HB2 TYR 95 1HB TYR 95 7.477 19.843 -12.065 720 HB3 TYR 95 2HB TYR 95 8.403 21.327 -11.870 721 HD1 TYR 95 1HD TYR 95 7.745 22.976 -10.142 722 HD2 TYR 95 2HD TYR 95 5.822 19.194 -10.468 723 HE1 TYR 95 1HE TYR 95 6.833 23.251 -7.875 724 HE2 TYR 95 2HE TYR 95 4.904 19.460 -8.202 725 HH TYR 95 HH TYR 95 4.792 22.335 -6.588 726 H ASP 96 H ASP 96 5.488 21.757 -15.227 727 HA ASP 96 HA ASP 96 7.517 20.463 -16.759 728 HB2 ASP 96 1HB ASP 96 4.947 20.744 -17.226 729 HB3 ASP 96 2HB ASP 96 5.454 22.240 -18.006 730 H ARG 97 H ARG 97 6.562 23.832 -16.256 731 HA ARG 97 HA ARG 97 8.290 24.997 -18.133 732 HB2 ARG 97 1HB ARG 97 6.392 26.141 -16.957 733 HB3 ARG 97 2HB ARG 97 7.397 26.214 -15.516 734 HG2 ARG 97 1HG ARG 97 7.626 28.315 -16.495 735 HG3 ARG 97 2HG ARG 97 9.089 27.452 -16.972 736 HD2 ARG 97 1HD ARG 97 8.307 28.559 -18.911 737 HD3 ARG 97 2HD ARG 97 7.897 26.856 -19.112 738 HE ARG 97 HE ARG 97 5.763 28.346 -17.943 739 HH11 ARG 97 2HH1 ARG 97 7.330 27.579 -20.955 740 HH12 ARG 97 1HH1 ARG 97 5.913 27.857 -21.913 741 HH21 ARG 97 2HH2 ARG 97 3.891 28.716 -19.193 742 HH22 ARG 97 1HH2 ARG 97 3.958 28.505 -20.910 743 H VAL 98 H VAL 98 8.751 24.213 -14.710 744 HA VAL 98 HA VAL 98 11.330 25.349 -14.472 745 HB VAL 98 HB VAL 98 10.065 23.121 -12.871 746 HG11 VAL 98 1HG1 VAL 98 12.543 23.202 -12.718 747 HG12 VAL 98 2HG1 VAL 98 12.414 24.865 -12.140 748 HG13 VAL 98 3HG1 VAL 98 11.730 23.545 -11.191 749 HG21 VAL 98 3HG2 VAL 98 9.380 25.818 -13.038 750 HG22 VAL 98 1HG2 VAL 98 8.892 24.671 -11.789 751 HG23 VAL 98 2HG2 VAL 98 10.322 25.677 -11.553 752 H TYR 99 H TYR 99 10.363 21.922 -14.727 753 HA TYR 99 HA TYR 99 12.842 20.768 -14.923 754 HB2 TYR 99 1HB TYR 99 10.901 19.376 -14.786 755 HB3 TYR 99 2HB TYR 99 10.259 20.015 -16.295 756 HD1 TYR 99 1HD TYR 99 13.250 18.194 -14.991 757 HD2 TYR 99 2HD TYR 99 10.560 18.789 -18.234 758 HE1 TYR 99 1HE TYR 99 14.337 16.363 -16.221 759 HE2 TYR 99 2HE TYR 99 11.639 16.958 -19.472 760 HH TYR 99 HH TYR 99 13.478 15.622 -19.550 761 H ASN 100 H ASN 100 10.931 22.221 -17.527 762 HA ASN 100 HA ASN 100 12.366 21.552 -19.746 763 HB2 ASN 100 1HB ASN 100 10.923 24.063 -18.973 764 HB3 ASN 100 2HB ASN 100 11.811 24.004 -20.493 765 HD21 ASN 100 1HD2 ASN 100 9.000 24.322 -20.170 766 HD22 ASN 100 2HD2 ASN 100 8.238 22.971 -20.931 767 H GLY 101 H GLY 101 12.963 24.560 -17.909 768 HA2 GLY 101 1HA GLY 101 15.231 25.449 -19.104 769 HA3 GLY 101 2HA GLY 101 14.959 25.591 -17.373 770 H TYR 102 H TYR 102 15.138 22.996 -16.530 771 HA TYR 102 HA TYR 102 17.862 22.606 -16.223 772 HB2 TYR 102 1HB TYR 102 15.946 21.595 -14.871 773 HB3 TYR 102 2HB TYR 102 15.854 20.357 -16.119 774 HD1 TYR 102 1HD TYR 102 18.827 21.985 -14.561 775 HD2 TYR 102 2HD TYR 102 16.615 18.396 -15.134 776 HE1 TYR 102 1HE TYR 102 20.602 20.717 -13.426 777 HE2 TYR 102 2HE TYR 102 18.383 17.118 -13.999 778 HH TYR 102 HH TYR 102 20.742 18.498 -12.136 779 H VAL 103 H VAL 103 15.648 21.146 -18.565 780 HA VAL 103 HA VAL 103 17.315 19.258 -19.709 781 HB VAL 103 HB VAL 103 15.214 20.968 -21.042 782 HG11 VAL 103 1HG1 VAL 103 15.258 18.806 -22.583 783 HG12 VAL 103 2HG1 VAL 103 16.280 20.208 -22.906 784 HG13 VAL 103 3HG1 VAL 103 16.949 18.798 -22.084 785 HG21 VAL 103 3HG2 VAL 103 13.670 19.374 -20.473 786 HG22 VAL 103 1HG2 VAL 103 14.871 18.085 -20.388 787 HG23 VAL 103 2HG2 VAL 103 14.750 19.265 -19.083 788 H ILE 104 H ILE 104 16.743 22.540 -20.995 789 HA ILE 104 HA ILE 104 18.776 22.487 -22.905 790 HB ILE 104 HB ILE 104 17.686 24.893 -21.439 791 HG12 ILE 104 1HG1 ILE 104 16.488 24.984 -23.828 792 HG13 ILE 104 2HG1 ILE 104 16.706 23.241 -23.714 793 HG21 ILE 104 1HG2 ILE 104 18.407 26.114 -23.493 794 HG22 ILE 104 2HG2 ILE 104 19.735 25.485 -22.519 795 HG23 ILE 104 3HG2 ILE 104 19.255 24.654 -23.999 796 HD11 ILE 104 3HD1 ILE 104 14.626 24.719 -22.667 797 HD12 ILE 104 1HD1 ILE 104 15.026 23.045 -22.283 798 HD13 ILE 104 2HD1 ILE 104 15.638 24.353 -21.270 799 H HIS 105 H HIS 105 18.845 23.399 -19.505 800 HA HIS 105 HA HIS 105 21.425 24.531 -19.470 801 HB2 HIS 105 1HB HIS 105 19.863 24.878 -17.636 802 HB3 HIS 105 2HB HIS 105 19.874 23.157 -17.266 803 HD1 HIS 105 1HD HIS 105 21.964 26.253 -16.957 804 HD2 HIS 105 2HD HIS 105 22.054 22.270 -15.777 805 HE1 HIS 105 1HE HIS 105 23.831 26.090 -15.280 806 HE2 HIS 105 2HE HIS 105 23.922 23.655 -14.645 807 H LEU 106 H LEU 106 20.286 21.220 -18.954 808 HA LEU 106 HA LEU 106 22.881 20.187 -18.344 809 HB2 LEU 106 1HB LEU 106 20.185 19.036 -18.857 810 HB3 LEU 106 2HB LEU 106 21.587 17.974 -18.969 811 HG LEU 106 HG LEU 106 20.546 19.439 -16.558 812 HD11 LEU 106 1HD1 LEU 106 20.245 17.311 -15.628 813 HD12 LEU 106 2HD1 LEU 106 21.260 16.538 -16.846 814 HD13 LEU 106 3HD1 LEU 106 19.670 17.160 -17.289 815 HD21 LEU 106 3HD2 LEU 106 23.279 18.412 -17.132 816 HD22 LEU 106 1HD2 LEU 106 22.614 18.185 -15.514 817 HD23 LEU 106 2HD2 LEU 106 22.771 19.810 -16.183 818 H ASP 107 H ASP 107 21.012 20.662 -21.243 819 HA ASP 107 HA ASP 107 22.322 18.898 -22.972 820 HB2 ASP 107 1HB ASP 107 20.826 21.466 -23.361 821 HB3 ASP 107 2HB ASP 107 21.667 20.733 -24.724 822 H TYR 108 H TYR 108 23.438 21.749 -21.466 823 HA TYR 108 HA TYR 108 25.170 22.980 -23.112 824 HB2 TYR 108 1HB TYR 108 26.413 23.636 -21.248 825 HB3 TYR 108 2HB TYR 108 24.849 23.228 -20.552 826 HD1 TYR 108 1HD TYR 108 24.576 20.944 -19.471 827 HD2 TYR 108 2HD TYR 108 28.370 22.559 -20.523 828 HE1 TYR 108 1HE TYR 108 25.668 19.365 -17.934 829 HE2 TYR 108 2HE TYR 108 29.472 20.983 -18.989 830 HH TYR 108 HH TYR 108 27.594 18.812 -16.923 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -26.988 -39.070 57.202 2 HA2 GLY 1 1HA GLY 1 -24.437 -39.623 58.017 3 HA3 GLY 1 2HA GLY 1 -24.529 -40.321 56.407 4 H SER 2 H SER 2 -25.317 -38.825 54.670 5 HA SER 2 HA SER 2 -23.952 -36.264 54.983 6 HB2 SER 2 1HB SER 2 -23.902 -36.150 52.592 7 HB3 SER 2 2HB SER 2 -23.480 -37.805 53.033 8 HG SER 2 HG SER 2 -25.332 -37.107 51.379 9 H SER 3 H SER 3 -26.345 -36.410 56.368 10 HA SER 3 HA SER 3 -28.446 -35.218 54.785 11 HB2 SER 3 1HB SER 3 -29.718 -35.176 56.869 12 HB3 SER 3 2HB SER 3 -28.959 -36.755 56.660 13 HG SER 3 HG SER 3 -27.188 -35.603 57.983 14 H GLY 4 H GLY 4 -29.518 -33.180 55.663 15 HA2 GLY 4 1HA GLY 4 -28.212 -31.256 57.170 16 HA3 GLY 4 2HA GLY 4 -27.635 -31.055 55.522 17 H SER 5 H SER 5 -29.122 -29.137 57.020 18 HA SER 5 HA SER 5 -31.384 -28.821 55.196 19 HB2 SER 5 1HB SER 5 -31.641 -28.517 58.198 20 HB3 SER 5 2HB SER 5 -32.905 -28.192 57.012 21 HG SER 5 HG SER 5 -31.678 -30.715 57.064 22 H SER 6 H SER 6 -32.428 -26.545 55.715 23 HA SER 6 HA SER 6 -30.188 -24.651 55.728 24 HB2 SER 6 1HB SER 6 -31.874 -23.081 54.697 25 HB3 SER 6 2HB SER 6 -31.503 -24.505 53.726 26 HG SER 6 HG SER 6 -33.641 -24.657 55.517 27 H GLY 7 H GLY 7 -30.884 -22.380 56.542 28 HA2 GLY 7 1HA GLY 7 -32.838 -21.962 58.452 29 HA3 GLY 7 2HA GLY 7 -31.470 -22.646 59.318 30 H ASN 8 H ASN 8 -32.053 -20.305 60.224 31 HA ASN 8 HA ASN 8 -30.374 -18.349 58.804 32 HB2 ASN 8 1HB ASN 8 -32.865 -17.884 59.413 33 HB3 ASN 8 2HB ASN 8 -32.243 -17.629 61.041 34 HD21 ASN 8 1HD2 ASN 8 -31.416 -15.711 61.537 35 HD22 ASN 8 2HD2 ASN 8 -31.081 -14.446 60.409 36 H VAL 9 H VAL 9 -31.232 -19.314 62.130 37 HA VAL 9 HA VAL 9 -29.429 -18.048 63.649 38 HB VAL 9 HB VAL 9 -31.015 -19.842 64.423 39 HG11 VAL 9 1HG1 VAL 9 -30.261 -22.129 64.510 40 HG12 VAL 9 2HG1 VAL 9 -30.234 -21.576 62.834 41 HG13 VAL 9 3HG1 VAL 9 -28.731 -21.692 63.749 42 HG21 VAL 9 3HG2 VAL 9 -29.262 -20.714 66.181 43 HG22 VAL 9 1HG2 VAL 9 -28.231 -19.500 65.424 44 HG23 VAL 9 2HG2 VAL 9 -29.761 -19.023 66.161 45 H ASP 10 H ASP 10 -27.295 -17.816 63.784 46 HA ASP 10 HA ASP 10 -25.567 -19.120 61.923 47 HB2 ASP 10 1HB ASP 10 -25.234 -16.781 62.700 48 HB3 ASP 10 2HB ASP 10 -24.831 -17.399 64.300 49 H SER 11 H SER 11 -23.416 -20.046 62.759 50 HA SER 11 HA SER 11 -23.309 -21.357 65.255 51 HB2 SER 11 1HB SER 11 -23.556 -23.712 64.386 52 HB3 SER 11 2HB SER 11 -25.058 -22.790 64.447 53 HG SER 11 HG SER 11 -24.291 -24.052 62.413 54 H ASN 12 H ASN 12 -21.631 -23.297 65.053 55 HA ASN 12 HA ASN 12 -19.199 -22.188 64.288 56 HB2 ASN 12 1HB ASN 12 -19.811 -24.274 65.799 57 HB3 ASN 12 2HB ASN 12 -19.497 -25.161 64.310 58 HD21 ASN 12 1HD2 ASN 12 -17.988 -25.495 66.608 59 HD22 ASN 12 2HD2 ASN 12 -16.387 -24.915 66.317 60 H GLN 13 H GLN 13 -17.648 -23.461 62.747 61 HA GLN 13 HA GLN 13 -18.934 -24.367 60.309 62 HB2 GLN 13 1HB GLN 13 -17.284 -21.846 60.444 63 HB3 GLN 13 2HB GLN 13 -17.569 -22.719 58.944 64 HG2 GLN 13 1HG GLN 13 -20.084 -22.479 59.672 65 HG3 GLN 13 2HG GLN 13 -19.447 -21.121 60.599 66 HE21 GLN 13 1HE2 GLN 13 -17.960 -19.666 59.289 67 HE22 GLN 13 2HE2 GLN 13 -18.499 -19.261 57.698 68 H ASN 14 H ASN 14 -17.053 -24.685 58.580 69 HA ASN 14 HA ASN 14 -15.113 -26.393 59.915 70 HB2 ASN 14 1HB ASN 14 -14.613 -27.217 57.640 71 HB3 ASN 14 2HB ASN 14 -16.330 -27.323 58.017 72 HD21 ASN 14 1HD2 ASN 14 -17.743 -26.382 56.697 73 HD22 ASN 14 2HD2 ASN 14 -17.333 -25.343 55.378 74 H LYS 15 H LYS 15 -12.888 -26.457 58.686 75 HA LYS 15 HA LYS 15 -11.948 -23.730 58.153 76 HB2 LYS 15 1HB LYS 15 -11.547 -24.700 60.587 77 HB3 LYS 15 2HB LYS 15 -10.214 -25.526 59.790 78 HG2 LYS 15 1HG LYS 15 -10.557 -22.582 59.438 79 HG3 LYS 15 2HG LYS 15 -9.828 -23.220 60.914 80 HD2 LYS 15 1HD LYS 15 -8.397 -24.607 59.168 81 HD3 LYS 15 2HD LYS 15 -8.811 -23.249 58.119 82 HE2 LYS 15 1HE LYS 15 -7.809 -22.657 60.854 83 HE3 LYS 15 2HE LYS 15 -6.652 -23.229 59.654 84 HZ1 LYS 15 3HZ LYS 15 -7.228 -20.684 59.944 85 HZ2 LYS 15 1HZ LYS 15 -8.458 -21.081 58.852 86 HZ3 LYS 15 2HZ LYS 15 -6.840 -21.345 58.436 87 H ALA 16 H ALA 16 -10.245 -23.572 56.719 88 HA ALA 16 HA ALA 16 -9.566 -26.067 55.316 89 HB1 ALA 16 1HB ALA 16 -10.212 -24.927 53.518 90 HB2 ALA 16 2HB ALA 16 -10.268 -23.408 54.414 91 HB3 ALA 16 3HB ALA 16 -8.749 -23.961 53.709 92 H SER 17 H SER 17 -7.423 -26.487 54.704 93 HA SER 17 HA SER 17 -5.452 -25.365 56.516 94 HB2 SER 17 1HB SER 17 -5.667 -27.846 56.027 95 HB3 SER 17 2HB SER 17 -5.006 -27.503 54.428 96 HG SER 17 HG SER 17 -3.087 -27.136 55.279 97 H MET 18 H MET 18 -6.519 -23.702 54.363 98 HA MET 18 HA MET 18 -4.415 -23.467 52.401 99 HB2 MET 18 1HB MET 18 -6.985 -22.035 52.948 100 HB3 MET 18 2HB MET 18 -5.784 -21.280 51.908 101 HG2 MET 18 1HG MET 18 -7.450 -22.506 50.624 102 HG3 MET 18 2HG MET 18 -5.837 -23.185 50.416 103 HE1 MET 18 3HE MET 18 -7.061 -25.926 49.602 104 HE2 MET 18 1HE MET 18 -5.517 -25.236 50.104 105 HE3 MET 18 2HE MET 18 -6.158 -26.656 50.930 106 H LEU 19 H LEU 19 -2.523 -22.914 53.406 107 HA LEU 19 HA LEU 19 -2.151 -20.178 54.078 108 HB2 LEU 19 1HB LEU 19 -3.176 -21.370 56.167 109 HB3 LEU 19 2HB LEU 19 -1.540 -21.993 56.369 110 HG LEU 19 HG LEU 19 -0.666 -19.771 56.638 111 HD11 LEU 19 1HD1 LEU 19 -1.688 -18.184 55.436 112 HD12 LEU 19 2HD1 LEU 19 -2.741 -18.019 56.841 113 HD13 LEU 19 3HD1 LEU 19 -3.243 -19.015 55.474 114 HD21 LEU 19 3HD2 LEU 19 -1.359 -19.499 58.773 115 HD22 LEU 19 1HD2 LEU 19 -2.160 -21.041 58.468 116 HD23 LEU 19 2HD2 LEU 19 -3.069 -19.535 58.340 117 H GLN 20 H GLN 20 0.129 -19.736 54.741 118 HA GLN 20 HA GLN 20 2.283 -19.845 53.902 119 HB2 GLN 20 1HB GLN 20 3.547 -21.658 55.023 120 HB3 GLN 20 2HB GLN 20 2.469 -20.799 56.116 121 HG2 GLN 20 1HG GLN 20 1.026 -22.584 56.314 122 HG3 GLN 20 2HG GLN 20 1.546 -23.307 54.793 123 HE21 GLN 20 1HE2 GLN 20 1.725 -23.531 58.081 124 HE22 GLN 20 2HE2 GLN 20 3.137 -24.516 58.221 125 H ALA 21 H ALA 21 0.811 -20.458 51.783 126 HA ALA 21 HA ALA 21 2.100 -22.851 50.640 127 HB1 ALA 21 1HB ALA 21 0.148 -23.574 49.856 128 HB2 ALA 21 2HB ALA 21 -0.618 -22.362 50.883 129 HB3 ALA 21 3HB ALA 21 -0.256 -21.988 49.198 130 H ARG 22 H ARG 22 3.889 -21.436 50.080 131 HA ARG 22 HA ARG 22 3.405 -20.101 47.522 132 HB2 ARG 22 1HB ARG 22 4.791 -18.857 49.897 133 HB3 ARG 22 2HB ARG 22 4.979 -18.257 48.256 134 HG2 ARG 22 1HG ARG 22 3.309 -16.893 48.955 135 HG3 ARG 22 2HG ARG 22 2.336 -18.235 48.350 136 HD2 ARG 22 1HD ARG 22 1.957 -19.071 50.519 137 HD3 ARG 22 2HD ARG 22 3.235 -18.073 51.211 138 HE ARG 22 HE ARG 22 1.396 -16.317 50.152 139 HH11 ARG 22 2HH1 ARG 22 1.402 -18.835 52.556 140 HH12 ARG 22 1HH1 ARG 22 0.155 -18.105 53.513 141 HH21 ARG 22 2HH2 ARG 22 -0.247 -15.346 51.402 142 HH22 ARG 22 1HH2 ARG 22 -0.782 -16.121 52.855 143 H LEU 23 H LEU 23 5.255 -19.961 46.169 144 HA LEU 23 HA LEU 23 7.671 -21.338 47.055 145 HB2 LEU 23 1HB LEU 23 7.685 -22.914 45.296 146 HB3 LEU 23 2HB LEU 23 6.100 -23.019 46.060 147 HG LEU 23 HG LEU 23 5.657 -23.189 43.777 148 HD11 LEU 23 1HD1 LEU 23 4.338 -21.297 43.269 149 HD12 LEU 23 2HD1 LEU 23 5.352 -20.235 44.245 150 HD13 LEU 23 3HD1 LEU 23 4.332 -21.442 45.027 151 HD21 LEU 23 3HD2 LEU 23 6.903 -20.800 42.734 152 HD22 LEU 23 1HD2 LEU 23 7.023 -22.469 42.177 153 HD23 LEU 23 2HD2 LEU 23 8.091 -21.887 43.454 154 H ASN 24 H ASN 24 9.415 -21.201 45.368 155 HA ASN 24 HA ASN 24 9.117 -18.804 43.690 156 HB2 ASN 24 1HB ASN 24 10.414 -18.526 45.940 157 HB3 ASN 24 2HB ASN 24 11.704 -19.380 45.098 158 HD21 ASN 24 1HD2 ASN 24 9.412 -16.740 44.474 159 HD22 ASN 24 2HD2 ASN 24 10.566 -15.688 43.734 160 H ASP 25 H ASP 25 9.057 -19.799 41.738 161 HA ASP 25 HA ASP 25 10.498 -22.071 40.979 162 HB2 ASP 25 1HB ASP 25 10.153 -20.923 38.597 163 HB3 ASP 25 2HB ASP 25 8.819 -21.661 39.480 164 H GLU 26 H GLU 26 11.151 -18.713 39.954 165 HA GLU 26 HA GLU 26 13.941 -18.913 40.471 166 HB2 GLU 26 1HB GLU 26 13.788 -20.326 38.438 167 HB3 GLU 26 2HB GLU 26 13.108 -18.960 37.565 168 HG2 GLU 26 1HG GLU 26 15.317 -18.881 36.943 169 HG3 GLU 26 2HG GLU 26 15.272 -17.737 38.284 170 H ALA 27 H ALA 27 14.872 -16.927 40.540 171 HA ALA 27 HA ALA 27 13.346 -14.669 39.424 172 HB1 ALA 27 1HB ALA 27 13.161 -15.044 41.970 173 HB2 ALA 27 2HB ALA 27 14.812 -14.423 42.024 174 HB3 ALA 27 3HB ALA 27 13.513 -13.421 41.375 175 H GLY 28 H GLY 28 14.511 -13.125 38.398 176 HA2 GLY 28 1HA GLY 28 17.027 -12.213 38.767 177 HA3 GLY 28 2HA GLY 28 17.297 -13.701 37.871 178 H GLY 29 H GLY 29 18.270 -12.054 36.367 179 HA2 GLY 29 1HA GLY 29 16.798 -11.804 34.053 180 HA3 GLY 29 2HA GLY 29 16.530 -10.303 34.926 181 H THR 30 H THR 30 17.561 -9.229 33.145 182 HA THR 30 HA THR 30 20.387 -8.898 33.584 183 HB THR 30 HB THR 30 20.336 -10.830 32.018 184 HG1 THR 30 1HG THR 30 21.316 -8.606 30.582 185 HG21 THR 30 3HG2 THR 30 18.249 -10.131 30.835 186 HG22 THR 30 1HG2 THR 30 19.573 -10.566 29.755 187 HG23 THR 30 2HG2 THR 30 19.184 -8.869 30.034 188 H ARG 31 H ARG 31 21.288 -7.213 32.027 189 HA ARG 31 HA ARG 31 19.201 -5.330 31.170 190 HB2 ARG 31 1HB ARG 31 21.521 -4.812 33.004 191 HB3 ARG 31 2HB ARG 31 20.866 -3.517 32.011 192 HG2 ARG 31 1HG ARG 31 19.008 -5.125 33.692 193 HG3 ARG 31 2HG ARG 31 20.021 -3.898 34.456 194 HD2 ARG 31 1HD ARG 31 19.080 -2.170 33.143 195 HD3 ARG 31 2HD ARG 31 18.307 -3.321 32.054 196 HE ARG 31 HE ARG 31 17.336 -2.427 34.617 197 HH11 ARG 31 2HH1 ARG 31 17.183 -4.905 32.176 198 HH12 ARG 31 1HH1 ARG 31 15.607 -5.453 32.646 199 HH21 ARG 31 2HH2 ARG 31 15.262 -3.139 35.244 200 HH22 ARG 31 1HH2 ARG 31 14.515 -4.447 34.390 201 H LEU 32 H LEU 32 19.481 -4.673 29.145 202 HA LEU 32 HA LEU 32 22.175 -4.404 28.056 203 HB2 LEU 32 1HB LEU 32 20.015 -6.002 26.690 204 HB3 LEU 32 2HB LEU 32 21.614 -5.645 26.040 205 HG LEU 32 HG LEU 32 21.190 -7.259 28.547 206 HD11 LEU 32 1HD1 LEU 32 21.984 -8.987 26.536 207 HD12 LEU 32 2HD1 LEU 32 20.730 -8.000 25.785 208 HD13 LEU 32 3HD1 LEU 32 20.382 -8.889 27.268 209 HD21 LEU 32 3HD2 LEU 32 23.394 -6.518 28.507 210 HD22 LEU 32 1HD2 LEU 32 23.511 -6.650 26.752 211 HD23 LEU 32 2HD2 LEU 32 23.488 -8.107 27.746 212 H LEU 33 H LEU 33 22.252 -3.148 26.084 213 HA LEU 33 HA LEU 33 19.983 -1.288 25.895 214 HB2 LEU 33 1HB LEU 33 21.913 0.023 24.605 215 HB3 LEU 33 2HB LEU 33 21.681 0.124 26.349 216 HG LEU 33 HG LEU 33 23.420 -1.729 26.527 217 HD11 LEU 33 1HD1 LEU 33 23.844 -0.915 23.658 218 HD12 LEU 33 2HD1 LEU 33 23.418 -2.516 24.260 219 HD13 LEU 33 3HD1 LEU 33 25.003 -1.831 24.621 220 HD21 LEU 33 3HD2 LEU 33 25.301 -0.087 26.135 221 HD22 LEU 33 1HD2 LEU 33 24.012 0.455 27.210 222 HD23 LEU 33 2HD2 LEU 33 24.076 1.039 25.547 223 H ARG 34 H ARG 34 19.010 -0.867 23.965 224 HA ARG 34 HA ARG 34 20.089 -1.568 21.441 225 HB2 ARG 34 1HB ARG 34 19.417 -3.823 22.518 226 HB3 ARG 34 2HB ARG 34 17.763 -3.305 22.219 227 HG2 ARG 34 1HG ARG 34 18.314 -4.631 20.381 228 HG3 ARG 34 2HG ARG 34 18.480 -2.974 19.797 229 HD2 ARG 34 1HD ARG 34 20.814 -3.069 19.841 230 HD3 ARG 34 2HD ARG 34 20.827 -4.471 20.909 231 HE ARG 34 HE ARG 34 19.600 -5.355 18.637 232 HH11 ARG 34 2HH1 ARG 34 22.652 -3.843 19.358 233 HH12 ARG 34 1HH1 ARG 34 23.489 -4.610 18.049 234 HH21 ARG 34 2HH2 ARG 34 20.691 -6.370 16.910 235 HH22 ARG 34 1HH2 ARG 34 22.372 -6.046 16.657 236 H VAL 35 H VAL 35 18.676 -1.025 19.683 237 HA VAL 35 HA VAL 35 16.423 0.686 20.515 238 HB VAL 35 HB VAL 35 18.329 1.933 19.535 239 HG11 VAL 35 1HG1 VAL 35 17.703 0.849 16.840 240 HG12 VAL 35 2HG1 VAL 35 19.203 1.536 17.464 241 HG13 VAL 35 3HG1 VAL 35 18.736 -0.108 17.901 242 HG21 VAL 35 3HG2 VAL 35 16.774 2.788 17.490 243 HG22 VAL 35 1HG2 VAL 35 15.588 1.924 18.469 244 HG23 VAL 35 2HG2 VAL 35 16.528 3.238 19.177 245 H HIS 36 H HIS 36 17.575 -1.684 18.191 246 HA HIS 36 HA HIS 36 16.514 -2.965 16.634 247 HB2 HIS 36 1HB HIS 36 14.461 -2.668 18.803 248 HB3 HIS 36 2HB HIS 36 14.074 -3.559 17.334 249 HD1 HIS 36 1HD HIS 36 14.310 -4.818 20.230 250 HD2 HIS 36 2HD HIS 36 17.214 -4.947 17.261 251 HE1 HIS 36 1HE HIS 36 15.740 -6.813 20.775 252 HE2 HIS 36 2HE HIS 36 17.541 -6.822 19.014 253 H HIS 37 H HIS 37 16.710 -0.523 15.661 254 HA HIS 37 HA HIS 37 14.165 0.619 14.957 255 HB2 HIS 37 1HB HIS 37 16.506 1.780 15.203 256 HB3 HIS 37 2HB HIS 37 16.710 1.289 13.524 257 HD1 HIS 37 1HD HIS 37 16.667 3.723 12.688 258 HD2 HIS 37 2HD HIS 37 13.219 2.571 14.699 259 HE1 HIS 37 1HE HIS 37 14.982 5.531 12.222 260 HE2 HIS 37 2HE HIS 37 12.931 4.855 13.519 261 H GLU 38 H GLU 38 13.541 0.970 12.671 262 HA GLU 38 HA GLU 38 14.255 -1.343 10.992 263 HB2 GLU 38 1HB GLU 38 11.579 -0.164 11.637 264 HB3 GLU 38 2HB GLU 38 11.826 -0.948 10.084 265 HG2 GLU 38 1HG GLU 38 10.973 -2.641 11.404 266 HG3 GLU 38 2HG GLU 38 12.711 -2.930 11.455 267 H SER 39 H SER 39 13.410 2.051 11.146 268 HA SER 39 HA SER 39 13.532 3.751 9.630 269 HB2 SER 39 1HB SER 39 15.911 2.034 9.070 270 HB3 SER 39 2HB SER 39 15.557 3.357 7.959 271 HG SER 39 HG SER 39 16.737 3.484 10.328 272 H ASP 40 H ASP 40 11.544 2.003 8.975 273 HA ASP 40 HA ASP 40 11.542 0.817 6.485 274 HB2 ASP 40 1HB ASP 40 9.344 2.222 7.999 275 HB3 ASP 40 2HB ASP 40 9.053 1.394 6.472 276 H THR 41 H THR 41 10.685 4.181 7.269 277 HA THR 41 HA THR 41 10.610 4.848 4.434 278 HB THR 41 HB THR 41 9.845 7.065 5.161 279 HG1 THR 41 1HG THR 41 9.348 7.144 7.545 280 HG21 THR 41 3HG2 THR 41 8.377 4.848 5.110 281 HG22 THR 41 1HG2 THR 41 7.702 6.402 5.598 282 HG23 THR 41 2HG2 THR 41 8.198 5.232 6.822 283 H GLU 42 H GLU 42 12.771 4.718 3.820 284 HA GLU 42 HA GLU 42 14.961 5.773 5.167 285 HB2 GLU 42 1HB GLU 42 16.164 5.597 3.114 286 HB3 GLU 42 2HB GLU 42 15.016 4.266 3.156 287 HG2 GLU 42 1HG GLU 42 13.498 5.596 1.718 288 HG3 GLU 42 2HG GLU 42 14.756 6.825 1.597 289 H GLU 43 H GLU 43 16.284 7.665 4.539 290 HA GLU 43 HA GLU 43 14.548 9.996 4.117 291 HB2 GLU 43 1HB GLU 43 17.278 9.759 5.390 292 HB3 GLU 43 2HB GLU 43 16.444 11.284 5.123 293 HG2 GLU 43 1HG GLU 43 14.581 10.438 6.536 294 HG3 GLU 43 2HG GLU 43 15.565 9.021 6.899 295 H ARG 44 H ARG 44 17.617 8.559 3.099 296 HA ARG 44 HA ARG 44 18.728 10.370 1.462 297 HB2 ARG 44 1HB ARG 44 18.282 7.435 0.932 298 HB3 ARG 44 2HB ARG 44 19.280 8.443 -0.107 299 HG2 ARG 44 1HG ARG 44 19.807 8.315 2.832 300 HG3 ARG 44 2HG ARG 44 20.395 7.048 1.754 301 HD2 ARG 44 1HD ARG 44 22.190 8.472 1.740 302 HD3 ARG 44 2HD ARG 44 21.281 9.088 0.361 303 HE ARG 44 HE ARG 44 20.959 11.038 1.504 304 HH11 ARG 44 2HH1 ARG 44 21.880 8.552 3.760 305 HH12 ARG 44 1HH1 ARG 44 22.013 9.638 5.103 306 HH21 ARG 44 2HH2 ARG 44 21.131 12.478 3.265 307 HH22 ARG 44 1HH2 ARG 44 21.586 11.871 4.821 308 H GLY 45 H GLY 45 15.977 8.308 0.533 309 HA2 GLY 45 1HA GLY 45 15.674 9.646 -2.004 310 HA3 GLY 45 2HA GLY 45 14.613 8.412 -1.339 311 H PHE 46 H PHE 46 13.719 9.469 0.969 312 HA PHE 46 HA PHE 46 11.628 11.090 0.258 313 HB2 PHE 46 1HB PHE 46 11.406 10.115 2.356 314 HB3 PHE 46 2HB PHE 46 13.017 10.608 2.868 315 HD1 PHE 46 1HD PHE 46 9.555 11.733 2.350 316 HD2 PHE 46 2HD PHE 46 13.397 12.722 3.893 317 HE1 PHE 46 1HE PHE 46 8.585 13.671 3.515 318 HE2 PHE 46 2HE PHE 46 12.433 14.660 5.061 319 HZ PHE 46 HZ PHE 46 10.024 15.136 4.874 320 H LEU 47 H LEU 47 14.459 12.267 2.085 321 HA LEU 47 HA LEU 47 13.936 14.972 1.866 322 HB2 LEU 47 1HB LEU 47 16.403 13.358 2.260 323 HB3 LEU 47 2HB LEU 47 16.576 15.079 1.924 324 HG LEU 47 HG LEU 47 14.809 14.136 4.152 325 HD11 LEU 47 1HD1 LEU 47 17.041 13.067 4.405 326 HD12 LEU 47 2HD1 LEU 47 16.639 14.204 5.690 327 HD13 LEU 47 3HD1 LEU 47 17.760 14.677 4.414 328 HD21 LEU 47 3HD2 LEU 47 14.585 16.441 3.613 329 HD22 LEU 47 1HD2 LEU 47 16.334 16.657 3.531 330 HD23 LEU 47 2HD2 LEU 47 15.556 16.346 5.083 331 H GLU 48 H GLU 48 15.803 12.900 -0.326 332 HA GLU 48 HA GLU 48 16.749 14.802 -2.090 333 HB2 GLU 48 1HB GLU 48 17.395 12.453 -2.211 334 HB3 GLU 48 2HB GLU 48 15.768 12.011 -2.710 335 HG2 GLU 48 1HG GLU 48 16.019 12.992 -4.815 336 HG3 GLU 48 2HG GLU 48 17.431 13.919 -4.311 337 H LYS 49 H LYS 49 13.699 12.977 -2.370 338 HA LYS 49 HA LYS 49 12.743 14.355 -4.628 339 HB2 LYS 49 1HB LYS 49 11.931 12.140 -3.528 340 HB3 LYS 49 2HB LYS 49 10.910 13.191 -2.555 341 HG2 LYS 49 1HG LYS 49 9.647 13.867 -4.373 342 HG3 LYS 49 2HG LYS 49 10.898 13.417 -5.535 343 HD2 LYS 49 1HD LYS 49 10.483 11.064 -5.111 344 HD3 LYS 49 2HD LYS 49 9.295 11.474 -3.871 345 HE2 LYS 49 1HE LYS 49 9.071 12.266 -6.771 346 HE3 LYS 49 2HE LYS 49 8.307 10.840 -6.072 347 HZ1 LYS 49 3HZ LYS 49 6.906 12.924 -6.257 348 HZ2 LYS 49 1HZ LYS 49 7.834 13.551 -4.989 349 HZ3 LYS 49 2HZ LYS 49 6.915 12.151 -4.752 350 H ALA 50 H ALA 50 12.530 15.026 -1.195 351 HA ALA 50 HA ALA 50 10.530 17.020 -1.322 352 HB1 ALA 50 1HB ALA 50 11.307 15.819 0.742 353 HB2 ALA 50 2HB ALA 50 12.733 16.857 0.722 354 HB3 ALA 50 3HB ALA 50 11.129 17.566 0.910 355 H ALA 51 H ALA 51 14.038 17.442 -0.803 356 HA ALA 51 HA ALA 51 14.306 20.115 -0.995 357 HB1 ALA 51 1HB ALA 51 16.532 19.760 -1.984 358 HB2 ALA 51 2HB ALA 51 16.203 18.653 -0.650 359 HB3 ALA 51 3HB ALA 51 16.099 18.082 -2.316 360 H VAL 52 H VAL 52 14.625 18.046 -3.888 361 HA VAL 52 HA VAL 52 14.721 19.912 -5.849 362 HB VAL 52 HB VAL 52 13.051 17.398 -5.995 363 HG11 VAL 52 1HG1 VAL 52 12.638 18.954 -7.839 364 HG12 VAL 52 2HG1 VAL 52 14.369 19.007 -8.181 365 HG13 VAL 52 3HG1 VAL 52 13.473 17.503 -8.393 366 HG21 VAL 52 3HG2 VAL 52 15.005 16.375 -5.602 367 HG22 VAL 52 1HG2 VAL 52 15.431 16.870 -7.241 368 HG23 VAL 52 2HG2 VAL 52 15.936 17.850 -5.864 369 H LYS 53 H LYS 53 11.735 18.659 -4.379 370 HA LYS 53 HA LYS 53 9.928 20.162 -5.898 371 HB2 LYS 53 1HB LYS 53 9.824 18.791 -3.250 372 HB3 LYS 53 2HB LYS 53 8.519 19.893 -3.669 373 HG2 LYS 53 1HG LYS 53 9.368 17.685 -5.511 374 HG3 LYS 53 2HG LYS 53 8.206 17.423 -4.207 375 HD2 LYS 53 1HD LYS 53 6.720 19.076 -5.133 376 HD3 LYS 53 2HD LYS 53 7.912 19.520 -6.356 377 HE2 LYS 53 1HE LYS 53 6.313 18.115 -7.414 378 HE3 LYS 53 2HE LYS 53 7.778 17.159 -7.200 379 HZ1 LYS 53 3HZ LYS 53 5.604 16.052 -6.608 380 HZ2 LYS 53 1HZ LYS 53 5.545 17.072 -5.260 381 HZ3 LYS 53 2HZ LYS 53 6.821 15.976 -5.436 382 H LYS 54 H LYS 54 11.769 20.963 -3.023 383 HA LYS 54 HA LYS 54 10.387 23.381 -2.431 384 HB2 LYS 54 1HB LYS 54 11.617 22.352 -0.667 385 HB3 LYS 54 2HB LYS 54 13.090 22.312 -1.627 386 HG2 LYS 54 1HG LYS 54 13.522 24.075 -0.236 387 HG3 LYS 54 2HG LYS 54 12.813 24.912 -1.619 388 HD2 LYS 54 1HD LYS 54 10.698 25.085 -0.516 389 HD3 LYS 54 2HD LYS 54 11.236 24.034 0.795 390 HE2 LYS 54 1HE LYS 54 12.514 26.685 0.156 391 HE3 LYS 54 2HE LYS 54 11.204 26.495 1.320 392 HZ1 LYS 54 3HZ LYS 54 12.771 24.722 2.331 393 HZ2 LYS 54 1HZ LYS 54 13.058 26.359 2.645 394 HZ3 LYS 54 2HZ LYS 54 13.982 25.547 1.486 395 H MET 55 H MET 55 13.379 22.632 -4.181 396 HA MET 55 HA MET 55 14.087 25.309 -4.738 397 HB2 MET 55 1HB MET 55 14.820 23.107 -6.618 398 HB3 MET 55 2HB MET 55 15.799 24.443 -6.026 399 HG2 MET 55 1HG MET 55 15.730 23.299 -3.765 400 HG3 MET 55 2HG MET 55 15.077 21.898 -4.612 401 HE1 MET 55 3HE MET 55 18.591 23.863 -3.880 402 HE2 MET 55 1HE MET 55 19.122 23.823 -5.562 403 HE3 MET 55 2HE MET 55 17.617 24.635 -5.132 404 H ALA 56 H ALA 56 12.102 22.950 -6.442 405 HA ALA 56 HA ALA 56 11.780 24.490 -8.813 406 HB1 ALA 56 1HB ALA 56 10.366 22.116 -7.659 407 HB2 ALA 56 2HB ALA 56 9.758 22.920 -9.107 408 HB3 ALA 56 3HB ALA 56 11.376 22.220 -9.101 409 H LYS 57 H LYS 57 9.494 23.782 -6.163 410 HA LYS 57 HA LYS 57 7.413 25.398 -6.889 411 HB2 LYS 57 1HB LYS 57 8.505 24.711 -4.170 412 HB3 LYS 57 2HB LYS 57 7.058 25.693 -4.357 413 HG2 LYS 57 1HG LYS 57 5.807 23.947 -5.155 414 HG3 LYS 57 2HG LYS 57 7.214 23.077 -5.768 415 HD2 LYS 57 1HD LYS 57 6.433 21.868 -3.880 416 HD3 LYS 57 2HD LYS 57 7.895 22.714 -3.369 417 HE2 LYS 57 1HE LYS 57 6.586 24.417 -2.280 418 HE3 LYS 57 2HE LYS 57 5.092 23.725 -2.909 419 HZ1 LYS 57 3HZ LYS 57 6.313 21.664 -1.586 420 HZ2 LYS 57 1HZ LYS 57 5.002 22.576 -1.027 421 HZ3 LYS 57 2HZ LYS 57 6.578 23.002 -0.587 422 H ALA 58 H ALA 58 10.334 26.352 -5.125 423 HA ALA 58 HA ALA 58 9.633 29.007 -4.598 424 HB1 ALA 58 1HB ALA 58 11.507 28.547 -3.439 425 HB2 ALA 58 2HB ALA 58 12.128 27.448 -4.671 426 HB3 ALA 58 3HB ALA 58 12.311 29.190 -4.871 427 H ILE 59 H ILE 59 11.076 27.520 -7.450 428 HA ILE 59 HA ILE 59 11.749 29.891 -8.812 429 HB ILE 59 HB ILE 59 11.074 27.148 -9.872 430 HG12 ILE 59 1HG1 ILE 59 13.772 28.481 -9.776 431 HG13 ILE 59 2HG1 ILE 59 13.145 27.585 -8.397 432 HG21 ILE 59 1HG2 ILE 59 11.232 29.591 -11.295 433 HG22 ILE 59 2HG2 ILE 59 12.666 28.645 -11.689 434 HG23 ILE 59 3HG2 ILE 59 11.062 27.958 -11.937 435 HD11 ILE 59 3HD1 ILE 59 13.344 25.569 -9.443 436 HD12 ILE 59 1HD1 ILE 59 13.169 26.262 -11.055 437 HD13 ILE 59 2HD1 ILE 59 14.688 26.444 -10.178 438 H MET 60 H MET 60 8.876 27.800 -9.085 439 HA MET 60 HA MET 60 7.427 28.943 -11.028 440 HB2 MET 60 1HB MET 60 6.375 28.204 -8.292 441 HB3 MET 60 2HB MET 60 5.378 28.447 -9.720 442 HG2 MET 60 1HG MET 60 7.596 26.453 -9.778 443 HG3 MET 60 2HG MET 60 6.065 26.052 -9.002 444 HE1 MET 60 3HE MET 60 3.631 25.402 -11.633 445 HE2 MET 60 1HE MET 60 4.674 24.284 -10.754 446 HE3 MET 60 2HE MET 60 4.011 25.699 -9.936 447 H ALA 61 H ALA 61 8.065 30.369 -7.887 448 HA ALA 61 HA ALA 61 6.343 32.647 -8.432 449 HB1 ALA 61 1HB ALA 61 6.761 31.483 -6.137 450 HB2 ALA 61 2HB ALA 61 8.193 32.513 -6.092 451 HB3 ALA 61 3HB ALA 61 6.589 33.237 -6.219 452 H ASP 62 H ASP 62 9.725 32.425 -7.322 453 HA ASP 62 HA ASP 62 10.317 34.885 -8.784 454 HB2 ASP 62 1HB ASP 62 11.699 33.374 -6.586 455 HB3 ASP 62 2HB ASP 62 12.576 34.572 -7.534 456 HA PRO 63 HA PRO 63 12.123 32.505 -12.072 457 HB2 PRO 63 1HB PRO 63 13.113 34.619 -13.459 458 HB3 PRO 63 2HB PRO 63 11.401 34.183 -13.466 459 HG2 PRO 63 1HG PRO 63 12.812 36.291 -11.877 460 HG3 PRO 63 2HG PRO 63 11.256 36.381 -12.723 461 HD2 PRO 63 1HD PRO 63 11.440 36.003 -10.048 462 HD3 PRO 63 2HD PRO 63 10.126 35.313 -11.021 463 H ASN 64 H ASN 64 13.870 34.974 -10.253 464 HA ASN 64 HA ASN 64 16.459 34.390 -11.165 465 HB2 ASN 64 1HB ASN 64 15.365 35.669 -8.679 466 HB3 ASN 64 2HB ASN 64 17.090 35.341 -8.816 467 HD21 ASN 64 1HD2 ASN 64 14.547 37.418 -9.638 468 HD22 ASN 64 2HD2 ASN 64 15.430 38.485 -10.670 469 H LYS 65 H LYS 65 14.349 32.605 -9.187 470 HA LYS 65 HA LYS 65 16.329 31.203 -7.661 471 HB2 LYS 65 1HB LYS 65 13.386 30.893 -8.124 472 HB3 LYS 65 2HB LYS 65 14.287 29.578 -7.380 473 HG2 LYS 65 1HG LYS 65 14.601 32.320 -6.271 474 HG3 LYS 65 2HG LYS 65 13.116 31.428 -5.931 475 HD2 LYS 65 1HD LYS 65 14.185 29.866 -4.655 476 HD3 LYS 65 2HD LYS 65 15.695 30.003 -5.560 477 HE2 LYS 65 1HE LYS 65 16.329 31.029 -3.627 478 HE3 LYS 65 2HE LYS 65 15.684 32.425 -4.490 479 HZ1 LYS 65 3HZ LYS 65 13.729 32.379 -3.243 480 HZ2 LYS 65 1HZ LYS 65 14.943 32.082 -2.102 481 HZ3 LYS 65 2HZ LYS 65 13.997 30.806 -2.681 482 H ALA 66 H ALA 66 14.818 30.796 -10.769 483 HA ALA 66 HA ALA 66 15.406 28.064 -11.172 484 HB1 ALA 66 1HB ALA 66 14.487 28.346 -13.208 485 HB2 ALA 66 2HB ALA 66 13.977 29.897 -12.541 486 HB3 ALA 66 3HB ALA 66 15.422 29.802 -13.547 487 H ASP 67 H ASP 67 17.142 31.012 -12.152 488 HA ASP 67 HA ASP 67 19.249 29.872 -13.519 489 HB2 ASP 67 1HB ASP 67 19.046 32.353 -11.832 490 HB3 ASP 67 2HB ASP 67 20.572 31.900 -12.588 491 H GLU 68 H GLU 68 19.301 30.804 -10.072 492 HA GLU 68 HA GLU 68 21.749 29.686 -9.421 493 HB2 GLU 68 1HB GLU 68 20.807 29.530 -7.078 494 HB3 GLU 68 2HB GLU 68 20.713 31.113 -7.836 495 HG2 GLU 68 1HG GLU 68 18.330 30.296 -8.542 496 HG3 GLU 68 2HG GLU 68 18.539 29.191 -7.185 497 H VAL 69 H VAL 69 18.558 28.204 -8.811 498 HA VAL 69 HA VAL 69 19.378 25.733 -7.943 499 HB VAL 69 HB VAL 69 17.006 26.222 -9.749 500 HG11 VAL 69 1HG1 VAL 69 16.271 24.309 -7.964 501 HG12 VAL 69 2HG1 VAL 69 16.872 23.985 -9.591 502 HG13 VAL 69 3HG1 VAL 69 17.971 23.917 -8.213 503 HG21 VAL 69 3HG2 VAL 69 16.611 26.089 -6.840 504 HG22 VAL 69 1HG2 VAL 69 17.472 27.518 -7.414 505 HG23 VAL 69 2HG2 VAL 69 15.866 27.145 -8.041 506 H TYR 70 H TYR 70 18.388 26.409 -11.307 507 HA TYR 70 HA TYR 70 18.960 24.151 -12.593 508 HB2 TYR 70 1HB TYR 70 19.706 26.951 -13.431 509 HB3 TYR 70 2HB TYR 70 19.871 25.567 -14.507 510 HD1 TYR 70 1HD TYR 70 17.436 24.032 -13.875 511 HD2 TYR 70 2HD TYR 70 17.988 28.223 -14.357 512 HE1 TYR 70 1HE TYR 70 15.078 24.260 -14.534 513 HE2 TYR 70 2HE TYR 70 15.631 28.463 -15.016 514 HH TYR 70 HH TYR 70 13.333 26.089 -14.527 515 H LYS 71 H LYS 71 21.405 26.413 -11.421 516 HA LYS 71 HA LYS 71 23.606 24.903 -12.475 517 HB2 LYS 71 1HB LYS 71 23.410 27.214 -10.549 518 HB3 LYS 71 2HB LYS 71 24.945 26.450 -10.943 519 HG2 LYS 71 1HG LYS 71 24.586 26.992 -13.313 520 HG3 LYS 71 2HG LYS 71 23.081 27.807 -12.881 521 HD2 LYS 71 1HD LYS 71 24.598 29.156 -11.249 522 HD3 LYS 71 2HD LYS 71 25.906 28.601 -12.296 523 HE2 LYS 71 1HE LYS 71 25.331 30.621 -13.261 524 HE3 LYS 71 2HE LYS 71 24.392 29.474 -14.215 525 HZ1 LYS 71 3HZ LYS 71 23.154 30.658 -11.837 526 HZ2 LYS 71 1HZ LYS 71 22.440 30.152 -13.285 527 HZ3 LYS 71 2HZ LYS 71 23.294 31.611 -13.227 528 H LYS 72 H LYS 72 22.126 25.324 -9.283 529 HA LYS 72 HA LYS 72 23.932 23.799 -7.796 530 HB2 LYS 72 1HB LYS 72 20.960 24.161 -7.371 531 HB3 LYS 72 2HB LYS 72 22.084 23.536 -6.171 532 HG2 LYS 72 1HG LYS 72 23.330 25.794 -6.591 533 HG3 LYS 72 2HG LYS 72 21.756 26.313 -7.198 534 HD2 LYS 72 1HD LYS 72 20.849 25.327 -4.981 535 HD3 LYS 72 2HD LYS 72 22.525 25.436 -4.438 536 HE2 LYS 72 1HE LYS 72 21.788 27.487 -3.774 537 HE3 LYS 72 2HE LYS 72 22.293 27.886 -5.415 538 HZ1 LYS 72 3HZ LYS 72 19.530 27.008 -4.930 539 HZ2 LYS 72 1HZ LYS 72 20.137 28.020 -6.143 540 HZ3 LYS 72 2HZ LYS 72 19.966 28.601 -4.564 541 H TRP 73 H TRP 73 20.767 22.765 -9.082 542 HA TRP 73 HA TRP 73 20.716 20.151 -8.432 543 HB2 TRP 73 1HB TRP 73 19.897 21.530 -10.973 544 HB3 TRP 73 2HB TRP 73 19.689 19.790 -10.795 545 HD1 TRP 73 HD TRP 73 18.899 20.155 -7.567 546 HE1 TRP 73 1HE TRP 73 16.479 20.867 -7.057 547 HE3 TRP 73 3HE TRP 73 17.651 22.110 -12.123 548 HZ2 TRP 73 2HZ TRP 73 14.325 22.094 -8.408 549 HZ3 TRP 73 3HZ TRP 73 15.391 23.032 -12.431 550 HH2 TRP 73 HH TRP 73 13.764 23.023 -10.611 551 H ALA 74 H ALA 74 22.116 21.226 -11.537 552 HA ALA 74 HA ALA 74 23.267 18.858 -12.318 553 HB1 ALA 74 1HB ALA 74 25.096 20.615 -13.253 554 HB2 ALA 74 2HB ALA 74 23.521 20.335 -13.996 555 HB3 ALA 74 3HB ALA 74 23.749 21.699 -12.902 556 H ASP 75 H ASP 75 24.621 21.319 -10.163 557 HA ASP 75 HA ASP 75 27.164 20.144 -9.858 558 HB2 ASP 75 1HB ASP 75 25.569 22.183 -8.387 559 HB3 ASP 75 2HB ASP 75 26.936 21.459 -7.544 560 H LYS 76 H LYS 76 24.132 19.735 -8.099 561 HA LYS 76 HA LYS 76 25.080 18.198 -5.967 562 HB2 LYS 76 1HB LYS 76 22.392 18.024 -7.341 563 HB3 LYS 76 2HB LYS 76 22.767 17.398 -5.741 564 HG2 LYS 76 1HG LYS 76 23.144 20.297 -6.383 565 HG3 LYS 76 2HG LYS 76 21.561 19.658 -5.935 566 HD2 LYS 76 1HD LYS 76 22.331 18.979 -3.806 567 HD3 LYS 76 2HD LYS 76 24.021 19.199 -4.264 568 HE2 LYS 76 1HE LYS 76 23.677 21.607 -4.415 569 HE3 LYS 76 2HE LYS 76 21.974 21.401 -4.007 570 HZ1 LYS 76 3HZ LYS 76 24.109 21.729 -2.262 571 HZ2 LYS 76 1HZ LYS 76 23.566 20.140 -2.056 572 HZ3 LYS 76 2HZ LYS 76 22.491 21.432 -1.869 573 H GLY 77 H GLY 77 23.729 17.132 -9.090 574 HA2 GLY 77 1HA GLY 77 25.087 15.295 -10.145 575 HA3 GLY 77 2HA GLY 77 24.955 14.490 -8.588 576 H TYR 78 H TYR 78 22.403 16.289 -10.227 577 HA TYR 78 HA TYR 78 20.770 13.859 -10.195 578 HB2 TYR 78 1HB TYR 78 19.937 16.729 -10.663 579 HB3 TYR 78 2HB TYR 78 18.856 15.353 -10.477 580 HD1 TYR 78 1HD TYR 78 19.979 13.929 -8.198 581 HD2 TYR 78 2HD TYR 78 19.570 18.115 -8.839 582 HE1 TYR 78 1HE TYR 78 19.930 14.291 -5.766 583 HE2 TYR 78 2HE TYR 78 19.521 18.489 -6.409 584 HH TYR 78 HH TYR 78 19.126 15.963 -4.169 585 H THR 79 H THR 79 19.110 13.799 -12.069 586 HA THR 79 HA THR 79 20.167 14.719 -14.612 587 HB THR 79 HB THR 79 21.368 12.759 -14.741 588 HG1 THR 79 1HG THR 79 18.841 11.765 -15.584 589 HG21 THR 79 3HG2 THR 79 20.974 11.622 -12.770 590 HG22 THR 79 1HG2 THR 79 20.236 10.537 -13.947 591 HG23 THR 79 2HG2 THR 79 19.225 11.624 -12.995 592 H LEU 80 H LEU 80 18.683 14.305 -16.407 593 HA LEU 80 HA LEU 80 16.125 15.099 -16.008 594 HB2 LEU 80 1HB LEU 80 17.228 13.258 -18.113 595 HB3 LEU 80 2HB LEU 80 15.572 13.860 -18.155 596 HG LEU 80 HG LEU 80 18.084 15.526 -18.305 597 HD11 LEU 80 1HD1 LEU 80 16.128 14.518 -20.324 598 HD12 LEU 80 2HD1 LEU 80 17.888 14.584 -20.400 599 HD13 LEU 80 3HD1 LEU 80 16.943 16.062 -20.578 600 HD21 LEU 80 3HD2 LEU 80 16.446 16.806 -17.157 601 HD22 LEU 80 1HD2 LEU 80 15.171 16.285 -18.259 602 HD23 LEU 80 2HD2 LEU 80 16.447 17.359 -18.833 603 H THR 81 H THR 81 17.101 11.687 -16.363 604 HA THR 81 HA THR 81 14.684 10.455 -15.978 605 HB THR 81 HB THR 81 17.051 9.432 -16.377 606 HG1 THR 81 1HG THR 81 16.028 7.564 -16.170 607 HG21 THR 81 3HG2 THR 81 17.892 10.206 -14.139 608 HG22 THR 81 1HG2 THR 81 18.123 8.489 -14.461 609 HG23 THR 81 2HG2 THR 81 16.820 9.019 -13.398 610 H GLN 82 H GLN 82 16.830 11.813 -13.536 611 HA GLN 82 HA GLN 82 15.164 10.883 -11.359 612 HB2 GLN 82 1HB GLN 82 17.744 12.365 -11.589 613 HB3 GLN 82 2HB GLN 82 16.825 12.515 -10.097 614 HG2 GLN 82 1HG GLN 82 16.785 9.968 -10.064 615 HG3 GLN 82 2HG GLN 82 18.033 10.054 -11.306 616 HE21 GLN 82 1HE2 GLN 82 19.878 9.537 -10.365 617 HE22 GLN 82 2HE2 GLN 82 20.480 10.200 -8.887 618 H MET 83 H MET 83 16.370 14.144 -12.154 619 HA MET 83 HA MET 83 14.738 15.701 -10.704 620 HB2 MET 83 1HB MET 83 16.410 16.643 -12.186 621 HB3 MET 83 2HB MET 83 15.488 16.144 -13.598 622 HG2 MET 83 1HG MET 83 15.164 18.479 -13.281 623 HG3 MET 83 2HG MET 83 13.662 17.654 -12.872 624 HE1 MET 83 3HE MET 83 16.650 19.267 -9.765 625 HE2 MET 83 1HE MET 83 16.720 17.574 -10.254 626 HE3 MET 83 2HE MET 83 17.012 18.846 -11.440 627 H SER 84 H SER 84 13.850 14.336 -13.867 628 HA SER 84 HA SER 84 11.248 15.412 -13.942 629 HB2 SER 84 1HB SER 84 12.625 14.340 -15.847 630 HB3 SER 84 2HB SER 84 11.999 12.804 -15.247 631 HG SER 84 HG SER 84 9.986 13.381 -15.812 632 H ASN 85 H ASN 85 12.467 12.268 -12.841 633 HA ASN 85 HA ASN 85 10.017 11.078 -12.239 634 HB2 ASN 85 1HB ASN 85 12.823 10.689 -11.279 635 HB3 ASN 85 2HB ASN 85 11.516 9.863 -10.436 636 HD21 ASN 85 1HD2 ASN 85 13.606 8.607 -11.856 637 HD22 ASN 85 2HD2 ASN 85 12.904 7.745 -13.178 638 H PHE 86 H PHE 86 12.019 13.286 -10.371 639 HA PHE 86 HA PHE 86 10.469 13.052 -7.975 640 HB2 PHE 86 1HB PHE 86 12.443 15.187 -8.813 641 HB3 PHE 86 2HB PHE 86 11.799 14.969 -7.189 642 HD1 PHE 86 1HD PHE 86 11.923 12.055 -6.882 643 HD2 PHE 86 2HD PHE 86 14.710 14.761 -8.621 644 HE1 PHE 86 1HE PHE 86 13.755 10.496 -6.363 645 HE2 PHE 86 2HE PHE 86 16.546 13.206 -8.106 646 HZ PHE 86 HZ PHE 86 16.070 11.070 -6.976 647 H LEU 87 H LEU 87 10.893 15.730 -10.295 648 HA LEU 87 HA LEU 87 8.934 17.415 -9.317 649 HB2 LEU 87 1HB LEU 87 9.925 16.973 -12.120 650 HB3 LEU 87 2HB LEU 87 8.781 18.248 -11.706 651 HG LEU 87 HG LEU 87 11.570 17.994 -10.585 652 HD11 LEU 87 1HD1 LEU 87 11.821 18.553 -12.858 653 HD12 LEU 87 2HD1 LEU 87 11.926 20.078 -11.979 654 HD13 LEU 87 3HD1 LEU 87 10.439 19.648 -12.823 655 HD21 LEU 87 3HD2 LEU 87 10.786 20.556 -10.195 656 HD22 LEU 87 1HD2 LEU 87 10.656 19.280 -8.985 657 HD23 LEU 87 2HD2 LEU 87 9.258 19.702 -9.975 658 H LYS 88 H LYS 88 8.616 14.775 -11.654 659 HA LYS 88 HA LYS 88 6.093 15.033 -12.585 660 HB2 LYS 88 1HB LYS 88 7.715 12.669 -11.788 661 HB3 LYS 88 2HB LYS 88 6.009 12.401 -12.123 662 HG2 LYS 88 1HG LYS 88 6.283 13.366 -14.344 663 HG3 LYS 88 2HG LYS 88 7.991 13.660 -14.010 664 HD2 LYS 88 1HD LYS 88 8.413 11.297 -13.825 665 HD3 LYS 88 2HD LYS 88 6.691 10.938 -13.965 666 HE2 LYS 88 1HE LYS 88 6.644 11.661 -16.231 667 HE3 LYS 88 2HE LYS 88 8.263 12.348 -16.111 668 HZ1 LYS 88 3HZ LYS 88 7.508 9.721 -16.804 669 HZ2 LYS 88 1HZ LYS 88 8.469 9.671 -15.412 670 HZ3 LYS 88 2HZ LYS 88 9.050 10.418 -16.814 671 H SER 89 H SER 89 4.641 16.046 -11.236 672 HA SER 89 HA SER 89 4.014 14.848 -8.658 673 HB2 SER 89 1HB SER 89 2.460 16.800 -8.435 674 HB3 SER 89 2HB SER 89 4.142 17.260 -8.698 675 HG SER 89 HG SER 89 3.638 17.628 -10.880 676 H LYS 90 H LYS 90 3.443 13.195 -10.836 677 HA LYS 90 HA LYS 90 1.781 12.016 -11.877 678 HB2 LYS 90 1HB LYS 90 -0.088 11.389 -10.362 679 HB3 LYS 90 2HB LYS 90 1.498 11.201 -9.625 680 HG2 LYS 90 1HG LYS 90 1.209 13.253 -8.385 681 HG3 LYS 90 2HG LYS 90 -0.336 13.549 -9.187 682 HD2 LYS 90 1HD LYS 90 -1.058 11.288 -8.232 683 HD3 LYS 90 2HD LYS 90 0.365 11.410 -7.195 684 HE2 LYS 90 1HE LYS 90 -0.649 13.815 -6.728 685 HE3 LYS 90 2HE LYS 90 -2.144 13.003 -7.188 686 HZ1 LYS 90 3HZ LYS 90 -0.949 12.957 -4.720 687 HZ2 LYS 90 1HZ LYS 90 -0.623 11.429 -5.370 688 HZ3 LYS 90 2HZ LYS 90 -2.220 11.970 -5.242 689 H THR 91 H THR 91 1.757 14.920 -12.321 690 HA THR 91 HA THR 91 -1.089 15.212 -13.030 691 HB THR 91 HB THR 91 0.773 17.475 -12.283 692 HG1 THR 91 1HG THR 91 -0.910 17.533 -10.486 693 HG21 THR 91 3HG2 THR 91 -2.181 17.399 -12.906 694 HG22 THR 91 1HG2 THR 91 -0.919 18.175 -13.862 695 HG23 THR 91 2HG2 THR 91 -1.325 18.801 -12.264 696 H ALA 92 H ALA 92 -1.561 16.011 -15.051 697 HA ALA 92 HA ALA 92 0.013 15.445 -17.193 698 HB1 ALA 92 1HB ALA 92 -1.411 16.820 -18.530 699 HB2 ALA 92 2HB ALA 92 -2.395 16.106 -17.252 700 HB3 ALA 92 3HB ALA 92 -1.880 17.788 -17.131 701 H GLY 93 H GLY 93 -0.397 18.768 -15.937 702 HA2 GLY 93 1HA GLY 93 2.413 19.286 -16.634 703 HA3 GLY 93 2HA GLY 93 1.165 20.353 -17.261 704 H LYS 94 H LYS 94 3.252 19.707 -14.682 705 HA LYS 94 HA LYS 94 1.943 21.801 -13.076 706 HB2 LYS 94 1HB LYS 94 1.643 19.661 -11.958 707 HB3 LYS 94 2HB LYS 94 3.367 19.329 -12.072 708 HG2 LYS 94 1HG LYS 94 3.270 20.061 -9.927 709 HG3 LYS 94 2HG LYS 94 3.529 21.606 -10.740 710 HD2 LYS 94 1HD LYS 94 1.070 21.950 -10.755 711 HD3 LYS 94 2HD LYS 94 0.892 20.465 -9.818 712 HE2 LYS 94 1HE LYS 94 0.906 21.992 -8.121 713 HE3 LYS 94 2HE LYS 94 2.635 21.669 -8.241 714 HZ1 LYS 94 3HZ LYS 94 1.309 23.901 -9.671 715 HZ2 LYS 94 1HZ LYS 94 2.968 23.653 -9.449 716 HZ3 LYS 94 2HZ LYS 94 1.992 24.070 -8.133 717 H TYR 95 H TYR 95 5.047 20.044 -13.241 718 HA TYR 95 HA TYR 95 6.421 22.617 -12.865 719 HB2 TYR 95 1HB TYR 95 7.409 19.798 -12.391 720 HB3 TYR 95 2HB TYR 95 8.367 21.255 -12.155 721 HD1 TYR 95 2HD TYR 95 5.523 19.291 -10.886 722 HD2 TYR 95 1HD TYR 95 8.068 22.635 -10.216 723 HE1 TYR 95 2HE TYR 95 4.683 19.461 -8.581 724 HE2 TYR 95 1HE TYR 95 7.235 22.813 -7.908 725 HH TYR 95 HH TYR 95 4.911 22.040 -6.725 726 H ASP 96 H ASP 96 5.434 22.064 -15.398 727 HA ASP 96 HA ASP 96 7.378 20.842 -17.080 728 HB2 ASP 96 1HB ASP 96 4.972 22.574 -17.559 729 HB3 ASP 96 2HB ASP 96 6.067 22.186 -18.883 730 H ARG 97 H ARG 97 6.618 24.207 -16.260 731 HA ARG 97 HA ARG 97 8.483 25.424 -17.965 732 HB2 ARG 97 1HB ARG 97 7.025 26.250 -15.497 733 HB3 ARG 97 2HB ARG 97 8.367 27.246 -16.043 734 HG2 ARG 97 1HG ARG 97 7.183 27.219 -18.326 735 HG3 ARG 97 2HG ARG 97 5.775 26.666 -17.417 736 HD2 ARG 97 1HD ARG 97 5.549 28.655 -16.295 737 HD3 ARG 97 2HD ARG 97 7.261 29.052 -16.437 738 HE ARG 97 HE ARG 97 6.371 29.161 -18.994 739 HH11 ARG 97 2HH1 ARG 97 5.325 30.626 -16.014 740 HH12 ARG 97 1HH1 ARG 97 4.704 32.050 -16.781 741 HH21 ARG 97 2HH2 ARG 97 5.557 31.031 -20.015 742 HH22 ARG 97 1HH2 ARG 97 4.835 32.279 -19.056 743 H VAL 98 H VAL 98 8.759 24.428 -14.566 744 HA VAL 98 HA VAL 98 11.407 25.328 -14.192 745 HB VAL 98 HB VAL 98 9.966 23.091 -12.761 746 HG11 VAL 98 1HG1 VAL 98 12.624 23.618 -12.650 747 HG12 VAL 98 2HG1 VAL 98 12.017 24.654 -11.357 748 HG13 VAL 98 3HG1 VAL 98 11.689 22.921 -11.327 749 HG21 VAL 98 3HG2 VAL 98 9.453 25.866 -12.800 750 HG22 VAL 98 1HG2 VAL 98 8.742 24.642 -11.748 751 HG23 VAL 98 2HG2 VAL 98 10.198 25.500 -11.244 752 H TYR 99 H TYR 99 10.123 22.087 -14.919 753 HA TYR 99 HA TYR 99 12.545 20.725 -15.034 754 HB2 TYR 99 1HB TYR 99 10.503 19.480 -15.031 755 HB3 TYR 99 2HB TYR 99 9.950 20.262 -16.507 756 HD1 TYR 99 1HD TYR 99 12.898 18.270 -15.345 757 HD2 TYR 99 2HD TYR 99 10.071 19.013 -18.436 758 HE1 TYR 99 1HE TYR 99 13.877 16.444 -16.672 759 HE2 TYR 99 2HE TYR 99 11.041 17.190 -19.771 760 HH TYR 99 HH TYR 99 12.808 15.790 -19.966 761 H ASN 100 H ASN 100 10.669 21.890 -17.839 762 HA ASN 100 HA ASN 100 12.361 21.410 -19.878 763 HB2 ASN 100 1HB ASN 100 10.744 23.916 -19.391 764 HB3 ASN 100 2HB ASN 100 11.537 23.559 -20.922 765 HD21 ASN 100 1HD2 ASN 100 8.713 23.890 -20.339 766 HD22 ASN 100 2HD2 ASN 100 7.944 22.420 -20.821 767 H GLY 101 H GLY 101 12.500 24.402 -17.931 768 HA2 GLY 101 1HA GLY 101 14.719 25.576 -19.048 769 HA3 GLY 101 2HA GLY 101 14.293 25.721 -17.349 770 H TYR 102 H TYR 102 14.704 23.196 -16.403 771 HA TYR 102 HA TYR 102 17.441 23.135 -15.922 772 HB2 TYR 102 1HB TYR 102 15.709 22.041 -14.509 773 HB3 TYR 102 2HB TYR 102 15.533 20.795 -15.740 774 HD1 TYR 102 1HD TYR 102 18.576 22.413 -14.302 775 HD2 TYR 102 2HD TYR 102 16.360 18.822 -14.852 776 HE1 TYR 102 1HE TYR 102 20.401 21.135 -13.260 777 HE2 TYR 102 2HE TYR 102 18.179 17.534 -13.810 778 HH TYR 102 HH TYR 102 20.104 18.138 -12.077 779 H VAL 103 H VAL 103 15.566 20.877 -17.953 780 HA VAL 103 HA VAL 103 17.426 19.249 -18.974 781 HB VAL 103 HB VAL 103 15.370 20.685 -20.660 782 HG11 VAL 103 1HG1 VAL 103 16.690 19.669 -22.244 783 HG12 VAL 103 2HG1 VAL 103 17.153 18.349 -21.169 784 HG13 VAL 103 3HG1 VAL 103 15.542 18.379 -21.887 785 HG21 VAL 103 3HG2 VAL 103 14.601 18.040 -20.029 786 HG22 VAL 103 1HG2 VAL 103 15.099 18.814 -18.525 787 HG23 VAL 103 2HG2 VAL 103 13.840 19.547 -19.519 788 H ILE 104 H ILE 104 16.728 22.401 -20.500 789 HA ILE 104 HA ILE 104 18.745 22.427 -22.368 790 HB ILE 104 HB ILE 104 17.692 24.779 -20.794 791 HG12 ILE 104 1HG1 ILE 104 16.923 23.932 -23.582 792 HG13 ILE 104 2HG1 ILE 104 16.083 23.320 -22.161 793 HG21 ILE 104 1HG2 ILE 104 19.908 25.088 -21.999 794 HG22 ILE 104 2HG2 ILE 104 19.000 24.881 -23.495 795 HG23 ILE 104 3HG2 ILE 104 18.616 26.216 -22.409 796 HD11 ILE 104 3HD1 ILE 104 16.246 26.156 -23.129 797 HD12 ILE 104 1HD1 ILE 104 14.818 25.131 -22.990 798 HD13 ILE 104 2HD1 ILE 104 15.634 25.710 -21.537 799 H HIS 105 H HIS 105 18.912 23.502 -18.990 800 HA HIS 105 HA HIS 105 21.452 24.554 -18.920 801 HB2 HIS 105 1HB HIS 105 19.775 24.452 -17.028 802 HB3 HIS 105 2HB HIS 105 20.314 22.800 -16.740 803 HD1 HIS 105 1HD HIS 105 21.404 26.362 -16.399 804 HD2 HIS 105 2HD HIS 105 22.812 22.555 -15.511 805 HE1 HIS 105 1HE HIS 105 23.385 26.713 -14.890 806 HE2 HIS 105 2HE HIS 105 24.272 24.400 -14.435 807 H LEU 106 H LEU 106 20.483 21.198 -19.059 808 HA LEU 106 HA LEU 106 23.119 20.180 -18.505 809 HB2 LEU 106 1HB LEU 106 20.495 18.993 -19.286 810 HB3 LEU 106 2HB LEU 106 21.963 18.033 -19.459 811 HG LEU 106 HG LEU 106 22.390 18.224 -17.070 812 HD11 LEU 106 1HD1 LEU 106 20.036 20.057 -17.184 813 HD12 LEU 106 2HD1 LEU 106 21.579 20.259 -16.355 814 HD13 LEU 106 3HD1 LEU 106 20.372 19.145 -15.713 815 HD21 LEU 106 3HD2 LEU 106 21.126 16.321 -17.687 816 HD22 LEU 106 1HD2 LEU 106 19.650 17.269 -17.868 817 HD23 LEU 106 2HD2 LEU 106 20.333 16.999 -16.264 818 H ASP 107 H ASP 107 21.197 20.925 -21.334 819 HA ASP 107 HA ASP 107 22.347 19.594 -23.376 820 HB2 ASP 107 1HB ASP 107 20.639 21.571 -23.381 821 HB3 ASP 107 2HB ASP 107 22.066 22.568 -23.654 822 H TYR 108 H TYR 108 23.887 21.985 -21.385 823 HA TYR 108 HA TYR 108 26.009 22.810 -22.933 824 HB2 TYR 108 1HB TYR 108 26.992 23.547 -20.983 825 HB3 TYR 108 2HB TYR 108 25.329 23.343 -20.443 826 HD1 TYR 108 1HD TYR 108 24.724 21.163 -19.256 827 HD2 TYR 108 2HD TYR 108 28.738 22.407 -19.917 828 HE1 TYR 108 1HE TYR 108 25.482 19.638 -17.481 829 HE2 TYR 108 2HE TYR 108 29.508 20.885 -18.145 830 HH TYR 108 HH TYR 108 28.229 18.480 -17.101 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -53.015 45.093 34.916 2 HA2 GLY 1 1HA GLY 1 -52.143 45.470 37.563 3 HA3 GLY 1 2HA GLY 1 -52.769 43.835 37.412 4 H SER 2 H SER 2 -50.337 46.091 36.250 5 HA SER 2 HA SER 2 -48.650 43.791 35.550 6 HB2 SER 2 1HB SER 2 -49.210 46.221 33.856 7 HB3 SER 2 2HB SER 2 -47.758 45.246 33.633 8 HG SER 2 HG SER 2 -50.228 43.941 33.730 9 H SER 3 H SER 3 -46.343 44.293 35.514 10 HA SER 3 HA SER 3 -45.633 46.652 37.122 11 HB2 SER 3 1HB SER 3 -44.929 43.774 37.618 12 HB3 SER 3 2HB SER 3 -43.849 45.058 38.160 13 HG SER 3 HG SER 3 -45.392 45.800 39.516 14 H GLY 4 H GLY 4 -45.458 46.416 34.314 15 HA2 GLY 4 1HA GLY 4 -43.366 47.565 33.385 16 HA3 GLY 4 2HA GLY 4 -42.564 46.076 33.862 17 H SER 5 H SER 5 -42.623 47.121 31.228 18 HA SER 5 HA SER 5 -43.488 44.796 29.819 19 HB2 SER 5 1HB SER 5 -44.957 47.379 29.235 20 HB3 SER 5 2HB SER 5 -45.130 45.864 28.349 21 HG SER 5 HG SER 5 -46.243 46.638 30.722 22 H SER 6 H SER 6 -42.268 44.521 28.047 23 HA SER 6 HA SER 6 -41.220 46.732 26.539 24 HB2 SER 6 1HB SER 6 -39.524 45.270 28.506 25 HB3 SER 6 2HB SER 6 -38.804 45.674 26.948 26 HG SER 6 HG SER 6 -38.881 47.250 28.928 27 H GLY 7 H GLY 7 -39.438 45.749 24.947 28 HA2 GLY 7 1HA GLY 7 -39.549 43.041 24.233 29 HA3 GLY 7 2HA GLY 7 -40.800 43.887 23.333 30 H ASN 8 H ASN 8 -38.538 42.556 22.212 31 HA ASN 8 HA ASN 8 -37.609 44.625 20.481 32 HB2 ASN 8 1HB ASN 8 -35.238 44.503 20.971 33 HB3 ASN 8 2HB ASN 8 -36.105 44.964 22.434 34 HD21 ASN 8 1HD2 ASN 8 -33.769 42.993 21.200 35 HD22 ASN 8 2HD2 ASN 8 -33.717 41.800 22.448 36 H VAL 9 H VAL 9 -37.944 43.572 18.634 37 HA VAL 9 HA VAL 9 -37.471 40.725 18.413 38 HB VAL 9 HB VAL 9 -38.237 41.046 16.048 39 HG11 VAL 9 1HG1 VAL 9 -39.743 41.353 18.488 40 HG12 VAL 9 2HG1 VAL 9 -40.538 42.175 17.144 41 HG13 VAL 9 3HG1 VAL 9 -40.147 40.459 17.023 42 HG21 VAL 9 3HG2 VAL 9 -37.538 43.639 16.380 43 HG22 VAL 9 1HG2 VAL 9 -38.652 43.065 15.139 44 HG23 VAL 9 2HG2 VAL 9 -39.278 43.732 16.646 45 H ASP 10 H ASP 10 -36.403 40.040 16.224 46 HA ASP 10 HA ASP 10 -34.291 41.626 15.195 47 HB2 ASP 10 1HB ASP 10 -33.550 40.836 17.597 48 HB3 ASP 10 2HB ASP 10 -33.215 39.319 16.767 49 H SER 11 H SER 11 -33.202 40.624 13.468 50 HA SER 11 HA SER 11 -34.196 37.956 12.725 51 HB2 SER 11 1HB SER 11 -34.259 38.774 10.343 52 HB3 SER 11 2HB SER 11 -35.470 39.502 11.398 53 HG SER 11 HG SER 11 -34.595 41.375 11.053 54 H ASN 12 H ASN 12 -32.549 36.602 12.550 55 HA ASN 12 HA ASN 12 -30.302 37.108 10.904 56 HB2 ASN 12 1HB ASN 12 -28.573 36.939 12.742 57 HB3 ASN 12 2HB ASN 12 -29.448 38.466 12.673 58 HD21 ASN 12 1HD2 ASN 12 -29.059 35.459 14.396 59 HD22 ASN 12 2HD2 ASN 12 -29.830 35.969 15.856 60 H GLN 13 H GLN 13 -28.560 35.316 11.335 61 HA GLN 13 HA GLN 13 -29.710 32.869 12.406 62 HB2 GLN 13 1HB GLN 13 -29.424 31.599 10.369 63 HB3 GLN 13 2HB GLN 13 -30.482 32.968 10.054 64 HG2 GLN 13 1HG GLN 13 -28.509 34.185 9.136 65 HG3 GLN 13 2HG GLN 13 -27.586 32.691 9.297 66 HE21 GLN 13 1HE2 GLN 13 -28.431 34.320 6.943 67 HE22 GLN 13 2HE2 GLN 13 -29.212 33.198 5.887 68 H ASN 14 H ASN 14 -28.197 31.394 13.069 69 HA ASN 14 HA ASN 14 -25.376 32.110 12.607 70 HB2 ASN 14 1HB ASN 14 -25.918 32.687 14.883 71 HB3 ASN 14 2HB ASN 14 -26.679 31.121 15.149 72 HD21 ASN 14 1HD2 ASN 14 -25.496 29.868 16.378 73 HD22 ASN 14 2HD2 ASN 14 -23.772 29.758 16.369 74 H LYS 15 H LYS 15 -23.904 30.428 12.369 75 HA LYS 15 HA LYS 15 -25.013 27.983 11.337 76 HB2 LYS 15 1HB LYS 15 -22.966 29.246 10.447 77 HB3 LYS 15 2HB LYS 15 -22.089 28.542 11.799 78 HG2 LYS 15 1HG LYS 15 -22.369 26.357 10.981 79 HG3 LYS 15 2HG LYS 15 -23.613 26.861 9.834 80 HD2 LYS 15 1HD LYS 15 -21.750 28.336 8.818 81 HD3 LYS 15 2HD LYS 15 -20.648 27.291 9.718 82 HE2 LYS 15 1HE LYS 15 -20.786 26.294 7.611 83 HE3 LYS 15 2HE LYS 15 -21.890 25.347 8.606 84 HZ1 LYS 15 3HZ LYS 15 -22.638 27.497 6.700 85 HZ2 LYS 15 1HZ LYS 15 -23.725 26.697 7.720 86 HZ3 LYS 15 2HZ LYS 15 -22.915 25.839 6.509 87 H ALA 16 H ALA 16 -23.979 25.855 11.989 88 HA ALA 16 HA ALA 16 -24.668 25.168 14.566 89 HB1 ALA 16 1HB ALA 16 -24.179 23.104 13.888 90 HB2 ALA 16 2HB ALA 16 -23.709 23.826 12.348 91 HB3 ALA 16 3HB ALA 16 -22.491 23.521 13.587 92 H SER 17 H SER 17 -23.021 24.084 16.140 93 HA SER 17 HA SER 17 -21.041 26.145 16.795 94 HB2 SER 17 1HB SER 17 -21.060 25.093 19.064 95 HB3 SER 17 2HB SER 17 -22.635 25.708 18.563 96 HG SER 17 HG SER 17 -23.393 23.756 18.658 97 H MET 18 H MET 18 -19.309 25.554 15.517 98 HA MET 18 HA MET 18 -18.324 23.010 15.054 99 HB2 MET 18 1HB MET 18 -17.605 25.389 14.159 100 HB3 MET 18 2HB MET 18 -16.395 25.260 15.428 101 HG2 MET 18 1HG MET 18 -15.400 24.480 13.432 102 HG3 MET 18 2HG MET 18 -15.714 23.069 14.441 103 HE1 MET 18 3HE MET 18 -15.478 22.846 10.792 104 HE2 MET 18 1HE MET 18 -16.817 23.871 10.276 105 HE3 MET 18 2HE MET 18 -15.579 24.515 11.355 106 H LEU 19 H LEU 19 -16.447 21.916 15.927 107 HA LEU 19 HA LEU 19 -16.107 22.405 18.813 108 HB2 LEU 19 1HB LEU 19 -16.010 20.114 19.218 109 HB3 LEU 19 2HB LEU 19 -17.324 20.295 18.059 110 HG LEU 19 HG LEU 19 -16.153 18.387 17.368 111 HD11 LEU 19 1HD1 LEU 19 -15.006 20.634 15.721 112 HD12 LEU 19 2HD1 LEU 19 -16.648 20.011 15.565 113 HD13 LEU 19 3HD1 LEU 19 -15.272 18.967 15.209 114 HD21 LEU 19 3HD2 LEU 19 -14.097 19.165 18.809 115 HD22 LEU 19 1HD2 LEU 19 -13.505 19.743 17.251 116 HD23 LEU 19 2HD2 LEU 19 -13.892 18.036 17.469 117 H GLN 20 H GLN 20 -14.013 21.253 19.615 118 HA GLN 20 HA GLN 20 -11.831 21.343 17.706 119 HB2 GLN 20 1HB GLN 20 -11.848 23.173 20.112 120 HB3 GLN 20 2HB GLN 20 -10.532 22.982 18.962 121 HG2 GLN 20 1HG GLN 20 -11.953 23.879 17.188 122 HG3 GLN 20 2HG GLN 20 -13.267 24.077 18.346 123 HE21 GLN 20 1HE2 GLN 20 -13.215 26.316 17.708 124 HE22 GLN 20 2HE2 GLN 20 -12.065 27.385 18.429 125 H ALA 21 H ALA 21 -10.880 19.457 18.093 126 HA ALA 21 HA ALA 21 -10.126 18.815 20.855 127 HB1 ALA 21 1HB ALA 21 -11.969 17.316 19.176 128 HB2 ALA 21 2HB ALA 21 -10.630 16.335 19.772 129 HB3 ALA 21 3HB ALA 21 -11.664 17.200 20.909 130 H ARG 22 H ARG 22 -8.096 18.058 21.074 131 HA ARG 22 HA ARG 22 -6.677 17.105 18.690 132 HB2 ARG 22 1HB ARG 22 -4.791 18.508 19.075 133 HB3 ARG 22 2HB ARG 22 -6.209 19.548 19.089 134 HG2 ARG 22 1HG ARG 22 -5.248 18.468 21.682 135 HG3 ARG 22 2HG ARG 22 -4.313 19.750 20.909 136 HD2 ARG 22 1HD ARG 22 -5.762 21.011 22.146 137 HD3 ARG 22 2HD ARG 22 -6.688 20.860 20.654 138 HE ARG 22 HE ARG 22 -8.261 19.694 21.819 139 HH11 ARG 22 2HH1 ARG 22 -5.260 19.572 23.580 140 HH12 ARG 22 1HH1 ARG 22 -5.944 18.756 24.946 141 HH21 ARG 22 2HH2 ARG 22 -9.173 18.618 23.611 142 HH22 ARG 22 1HH2 ARG 22 -8.170 18.212 24.963 143 H LEU 23 H LEU 23 -4.525 16.118 19.301 144 HA LEU 23 HA LEU 23 -4.866 14.588 21.789 145 HB2 LEU 23 1HB LEU 23 -3.438 13.947 19.219 146 HB3 LEU 23 2HB LEU 23 -3.263 12.982 20.683 147 HG LEU 23 HG LEU 23 -4.942 12.287 18.788 148 HD11 LEU 23 1HD1 LEU 23 -5.202 12.121 21.750 149 HD12 LEU 23 2HD1 LEU 23 -4.854 10.855 20.574 150 HD13 LEU 23 3HD1 LEU 23 -6.495 11.478 20.737 151 HD21 LEU 23 3HD2 LEU 23 -6.629 14.159 20.445 152 HD22 LEU 23 1HD2 LEU 23 -7.188 13.101 19.150 153 HD23 LEU 23 2HD2 LEU 23 -6.119 14.455 18.783 154 H ASN 24 H ASN 24 -3.280 14.513 23.305 155 HA ASN 24 HA ASN 24 -1.231 16.536 23.163 156 HB2 ASN 24 1HB ASN 24 -2.191 14.633 25.275 157 HB3 ASN 24 2HB ASN 24 -0.656 15.471 25.480 158 HD21 ASN 24 1HD2 ASN 24 -0.823 17.214 26.669 159 HD22 ASN 24 2HD2 ASN 24 -2.176 18.287 26.730 160 H ASP 25 H ASP 25 0.786 16.252 22.494 161 HA ASP 25 HA ASP 25 1.714 13.588 21.823 162 HB2 ASP 25 1HB ASP 25 3.766 14.966 21.027 163 HB3 ASP 25 2HB ASP 25 2.251 15.110 20.139 164 H GLU 26 H GLU 26 2.931 16.315 23.772 165 HA GLU 26 HA GLU 26 5.178 15.199 24.850 166 HB2 GLU 26 1HB GLU 26 4.841 16.659 26.801 167 HB3 GLU 26 2HB GLU 26 4.518 17.501 25.292 168 HG2 GLU 26 1HG GLU 26 2.126 17.227 25.632 169 HG3 GLU 26 2HG GLU 26 2.431 16.347 27.129 170 H ALA 27 H ALA 27 1.841 14.719 25.916 171 HA ALA 27 HA ALA 27 2.501 13.117 28.172 172 HB1 ALA 27 1HB ALA 27 0.388 13.706 28.563 173 HB2 ALA 27 2HB ALA 27 0.089 14.060 26.860 174 HB3 ALA 27 3HB ALA 27 -0.072 12.409 27.460 175 H GLY 28 H GLY 28 2.018 10.834 28.429 176 HA2 GLY 28 1HA GLY 28 1.335 8.811 27.011 177 HA3 GLY 28 2HA GLY 28 2.645 9.342 25.966 178 H GLY 29 H GLY 29 4.519 8.343 26.254 179 HA2 GLY 29 1HA GLY 29 6.361 7.552 27.468 180 HA3 GLY 29 2HA GLY 29 5.405 7.649 28.939 181 H THR 30 H THR 30 3.210 6.128 28.287 182 HA THR 30 HA THR 30 4.378 3.467 28.350 183 HB THR 30 HB THR 30 1.466 4.213 28.651 184 HG1 THR 30 1HG THR 30 2.824 5.238 30.238 185 HG21 THR 30 3HG2 THR 30 1.713 2.030 30.117 186 HG22 THR 30 1HG2 THR 30 3.067 1.729 29.028 187 HG23 THR 30 2HG2 THR 30 1.441 1.935 28.377 188 H ARG 31 H ARG 31 3.906 1.811 26.923 189 HA ARG 31 HA ARG 31 3.832 2.193 24.274 190 HB2 ARG 31 1HB ARG 31 3.974 -0.015 25.514 191 HB3 ARG 31 2HB ARG 31 2.215 -0.017 25.540 192 HG2 ARG 31 1HG ARG 31 2.075 -0.210 23.201 193 HG3 ARG 31 2HG ARG 31 3.778 0.202 22.988 194 HD2 ARG 31 1HD ARG 31 2.902 -2.239 24.502 195 HD3 ARG 31 2HD ARG 31 3.122 -2.254 22.753 196 HE ARG 31 HE ARG 31 5.458 -1.238 23.659 197 HH11 ARG 31 2HH1 ARG 31 3.624 -4.090 24.449 198 HH12 ARG 31 1HH1 ARG 31 5.018 -5.029 24.869 199 HH21 ARG 31 2HH2 ARG 31 7.301 -2.464 24.210 200 HH22 ARG 31 1HH2 ARG 31 7.109 -4.102 24.734 201 H LEU 32 H LEU 32 2.554 3.318 22.976 202 HA LEU 32 HA LEU 32 -0.220 3.801 23.715 203 HB2 LEU 32 1HB LEU 32 1.475 4.895 21.476 204 HB3 LEU 32 2HB LEU 32 -0.193 5.367 21.794 205 HG LEU 32 HG LEU 32 1.901 5.712 23.906 206 HD11 LEU 32 1HD1 LEU 32 1.439 7.441 21.497 207 HD12 LEU 32 2HD1 LEU 32 2.961 6.824 22.138 208 HD13 LEU 32 3HD1 LEU 32 2.088 8.087 23.005 209 HD21 LEU 32 3HD2 LEU 32 -0.043 7.798 23.648 210 HD22 LEU 32 1HD2 LEU 32 0.236 6.693 24.994 211 HD23 LEU 32 2HD2 LEU 32 -0.853 6.231 23.686 212 H LEU 33 H LEU 33 -1.723 3.939 21.653 213 HA LEU 33 HA LEU 33 -2.377 1.389 20.877 214 HB2 LEU 33 1HB LEU 33 -2.879 4.038 19.557 215 HB3 LEU 33 2HB LEU 33 -3.526 2.536 18.901 216 HG LEU 33 HG LEU 33 -4.593 2.227 21.224 217 HD11 LEU 33 1HD1 LEU 33 -3.758 3.781 22.654 218 HD12 LEU 33 2HD1 LEU 33 -5.134 4.696 22.040 219 HD13 LEU 33 3HD1 LEU 33 -3.522 4.986 21.388 220 HD21 LEU 33 3HD2 LEU 33 -6.164 2.571 19.617 221 HD22 LEU 33 1HD2 LEU 33 -5.397 4.043 19.021 222 HD23 LEU 33 2HD2 LEU 33 -6.353 4.085 20.503 223 H ARG 34 H ARG 34 -2.532 0.786 18.394 224 HA ARG 34 HA ARG 34 -0.207 -0.240 17.526 225 HB2 ARG 34 1HB ARG 34 -2.339 0.957 15.748 226 HB3 ARG 34 2HB ARG 34 -1.106 -0.180 15.221 227 HG2 ARG 34 1HG ARG 34 -2.903 -0.926 17.477 228 HG3 ARG 34 2HG ARG 34 -3.505 -1.005 15.819 229 HD2 ARG 34 1HD ARG 34 -1.434 -2.371 15.289 230 HD3 ARG 34 2HD ARG 34 -1.184 -2.484 17.030 231 HE ARG 34 HE ARG 34 -3.710 -3.342 16.775 232 HH11 ARG 34 2HH1 ARG 34 -0.791 -4.175 15.071 233 HH12 ARG 34 1HH1 ARG 34 -1.291 -5.801 14.743 234 HH21 ARG 34 2HH2 ARG 34 -4.380 -5.481 16.350 235 HH22 ARG 34 1HH2 ARG 34 -3.333 -6.542 15.471 236 H VAL 35 H VAL 35 1.331 0.332 15.849 237 HA VAL 35 HA VAL 35 2.786 2.577 16.280 238 HB VAL 35 HB VAL 35 3.745 2.331 14.022 239 HG11 VAL 35 1HG1 VAL 35 3.389 0.088 15.904 240 HG12 VAL 35 2HG1 VAL 35 4.028 -0.329 14.313 241 HG13 VAL 35 3HG1 VAL 35 4.864 0.857 15.316 242 HG21 VAL 35 3HG2 VAL 35 1.421 1.731 13.050 243 HG22 VAL 35 1HG2 VAL 35 2.857 0.966 12.369 244 HG23 VAL 35 2HG2 VAL 35 1.839 0.080 13.504 245 H HIS 36 H HIS 36 3.180 4.474 14.846 246 HA HIS 36 HA HIS 36 0.765 5.960 14.532 247 HB2 HIS 36 1HB HIS 36 3.668 6.531 14.018 248 HB3 HIS 36 2HB HIS 36 2.428 7.660 13.481 249 HD1 HIS 36 1HD HIS 36 0.666 8.261 15.609 250 HD2 HIS 36 2HD HIS 36 4.575 7.152 16.476 251 HE1 HIS 36 1HE HIS 36 1.105 9.109 17.936 252 HE2 HIS 36 2HE HIS 36 3.504 8.501 18.406 253 H HIS 37 H HIS 37 0.493 7.307 12.440 254 HA HIS 37 HA HIS 37 -0.216 5.558 10.365 255 HB2 HIS 37 1HB HIS 37 0.036 8.549 10.544 256 HB3 HIS 37 2HB HIS 37 -0.386 7.766 9.024 257 HD1 HIS 37 1HD HIS 37 -2.394 5.700 9.859 258 HD2 HIS 37 2HD HIS 37 -2.300 9.519 11.491 259 HE1 HIS 37 1HE HIS 37 -4.708 6.105 10.755 260 HE2 HIS 37 2HE HIS 37 -4.651 8.454 11.661 261 H GLU 38 H GLU 38 2.544 7.762 10.703 262 HA GLU 38 HA GLU 38 3.768 7.740 8.333 263 HB2 GLU 38 1HB GLU 38 5.947 7.670 9.483 264 HB3 GLU 38 2HB GLU 38 4.801 8.724 10.300 265 HG2 GLU 38 1HG GLU 38 4.308 6.736 11.813 266 HG3 GLU 38 2HG GLU 38 5.764 6.011 11.133 267 H SER 39 H SER 39 4.792 6.379 6.958 268 HA SER 39 HA SER 39 5.000 3.551 7.762 269 HB2 SER 39 1HB SER 39 4.241 4.561 5.011 270 HB3 SER 39 2HB SER 39 4.323 2.877 5.528 271 HG SER 39 HG SER 39 2.366 4.774 5.966 272 H ASP 40 H ASP 40 6.570 2.300 6.477 273 HA ASP 40 HA ASP 40 9.114 3.226 6.582 274 HB2 ASP 40 1HB ASP 40 9.778 1.378 5.313 275 HB3 ASP 40 2HB ASP 40 8.229 0.869 5.982 276 H THR 41 H THR 41 10.303 4.695 5.561 277 HA THR 41 HA THR 41 9.668 5.418 2.799 278 HB THR 41 HB THR 41 9.970 7.862 3.408 279 HG1 THR 41 1HG THR 41 10.782 7.417 5.560 280 HG21 THR 41 3HG2 THR 41 7.527 7.320 4.820 281 HG22 THR 41 1HG2 THR 41 7.690 6.215 3.456 282 HG23 THR 41 2HG2 THR 41 7.754 7.958 3.191 283 H GLU 42 H GLU 42 11.529 4.874 1.836 284 HA GLU 42 HA GLU 42 14.063 4.861 3.023 285 HB2 GLU 42 1HB GLU 42 14.798 5.003 0.502 286 HB3 GLU 42 2HB GLU 42 14.000 3.566 1.124 287 HG2 GLU 42 1HG GLU 42 12.074 3.962 -0.023 288 HG3 GLU 42 2HG GLU 42 12.302 5.710 -0.023 289 H GLU 43 H GLU 43 14.855 6.659 3.948 290 HA GLU 43 HA GLU 43 14.405 9.287 3.300 291 HB2 GLU 43 1HB GLU 43 16.636 7.857 4.660 292 HB3 GLU 43 2HB GLU 43 16.889 9.540 4.221 293 HG2 GLU 43 1HG GLU 43 16.075 9.761 6.342 294 HG3 GLU 43 2HG GLU 43 14.590 9.894 5.402 295 H ARG 44 H ARG 44 16.886 7.131 1.989 296 HA ARG 44 HA ARG 44 18.537 8.676 0.577 297 HB2 ARG 44 1HB ARG 44 17.119 6.173 -0.302 298 HB3 ARG 44 2HB ARG 44 18.311 6.955 -1.331 299 HG2 ARG 44 1HG ARG 44 18.935 6.173 1.496 300 HG3 ARG 44 2HG ARG 44 19.102 5.044 0.150 301 HD2 ARG 44 1HD ARG 44 20.612 6.654 -0.962 302 HD3 ARG 44 2HD ARG 44 20.492 7.703 0.450 303 HE ARG 44 HE ARG 44 21.325 5.352 1.495 304 HH11 ARG 44 2HH1 ARG 44 22.468 7.348 -1.118 305 HH12 ARG 44 1HH1 ARG 44 24.125 6.881 -0.924 306 HH21 ARG 44 2HH2 ARG 44 23.503 4.729 1.761 307 HH22 ARG 44 1HH2 ARG 44 24.713 5.390 0.714 308 H GLY 45 H GLY 45 15.232 7.899 -0.489 309 HA2 GLY 45 1HA GLY 45 15.472 10.004 -2.537 310 HA3 GLY 45 2HA GLY 45 14.304 8.691 -2.566 311 H PHE 46 H PHE 46 13.350 8.859 0.061 312 HA PHE 46 HA PHE 46 11.246 10.573 -0.114 313 HB2 PHE 46 1HB PHE 46 11.103 9.036 1.631 314 HB3 PHE 46 2HB PHE 46 12.699 9.443 2.252 315 HD1 PHE 46 2HD PHE 46 13.028 11.443 3.618 316 HD2 PHE 46 1HD PHE 46 9.163 10.275 2.271 317 HE1 PHE 46 2HE PHE 46 12.001 12.943 5.276 318 HE2 PHE 46 1HE PHE 46 8.130 11.774 3.927 319 HZ PHE 46 HZ PHE 46 9.549 13.109 5.433 320 H LEU 47 H LEU 47 14.276 11.272 1.629 321 HA LEU 47 HA LEU 47 13.618 13.938 2.265 322 HB2 LEU 47 1HB LEU 47 16.086 12.294 2.248 323 HB3 LEU 47 2HB LEU 47 16.279 14.045 2.294 324 HG LEU 47 HG LEU 47 14.553 12.605 4.285 325 HD11 LEU 47 1HD1 LEU 47 16.500 11.504 4.769 326 HD12 LEU 47 2HD1 LEU 47 16.709 12.961 5.740 327 HD13 LEU 47 3HD1 LEU 47 17.521 12.816 4.181 328 HD21 LEU 47 3HD2 LEU 47 16.121 15.143 4.622 329 HD22 LEU 47 1HD2 LEU 47 14.748 14.558 5.561 330 HD23 LEU 47 2HD2 LEU 47 14.506 15.133 3.911 331 H GLU 48 H GLU 48 15.761 12.640 -0.274 332 HA GLU 48 HA GLU 48 16.508 14.969 -1.508 333 HB2 GLU 48 1HB GLU 48 17.000 12.431 -2.053 334 HB3 GLU 48 2HB GLU 48 15.723 12.665 -3.238 335 HG2 GLU 48 1HG GLU 48 16.960 14.452 -4.281 336 HG3 GLU 48 2HG GLU 48 18.208 14.349 -3.041 337 H LYS 49 H LYS 49 13.768 12.964 -2.610 338 HA LYS 49 HA LYS 49 12.653 14.505 -4.504 339 HB2 LYS 49 1HB LYS 49 11.796 12.338 -3.185 340 HB3 LYS 49 2HB LYS 49 10.728 13.531 -2.458 341 HG2 LYS 49 1HG LYS 49 9.566 13.869 -4.377 342 HG3 LYS 49 2HG LYS 49 10.959 13.541 -5.410 343 HD2 LYS 49 1HD LYS 49 9.554 11.405 -3.818 344 HD3 LYS 49 2HD LYS 49 9.103 11.825 -5.473 345 HE2 LYS 49 1HE LYS 49 11.961 11.242 -4.898 346 HE3 LYS 49 2HE LYS 49 10.831 9.890 -4.941 347 HZ1 LYS 49 3HZ LYS 49 10.152 11.195 -7.163 348 HZ2 LYS 49 1HZ LYS 49 11.292 9.946 -7.123 349 HZ3 LYS 49 2HZ LYS 49 11.803 11.558 -7.102 350 H ALA 50 H ALA 50 12.106 14.970 -1.019 351 HA ALA 50 HA ALA 50 10.367 17.116 -1.117 352 HB1 ALA 50 1HB ALA 50 10.933 17.556 1.125 353 HB2 ALA 50 2HB ALA 50 11.160 15.819 0.916 354 HB3 ALA 50 3HB ALA 50 12.557 16.895 0.929 355 H ALA 51 H ALA 51 13.897 17.373 -0.637 356 HA ALA 51 HA ALA 51 14.259 20.049 -0.765 357 HB1 ALA 51 1HB ALA 51 15.951 17.891 -2.005 358 HB2 ALA 51 2HB ALA 51 16.462 19.575 -1.882 359 HB3 ALA 51 3HB ALA 51 16.140 18.643 -0.420 360 H VAL 52 H VAL 52 14.650 18.066 -3.706 361 HA VAL 52 HA VAL 52 14.701 20.048 -5.579 362 HB VAL 52 HB VAL 52 13.222 17.446 -5.971 363 HG11 VAL 52 1HG1 VAL 52 13.034 18.065 -8.093 364 HG12 VAL 52 2HG1 VAL 52 13.762 19.622 -7.695 365 HG13 VAL 52 3HG1 VAL 52 14.781 18.276 -8.205 366 HG21 VAL 52 3HG2 VAL 52 16.166 18.056 -5.981 367 HG22 VAL 52 1HG2 VAL 52 15.304 16.822 -5.061 368 HG23 VAL 52 2HG2 VAL 52 15.486 16.654 -6.807 369 H LYS 53 H LYS 53 11.743 18.316 -4.583 370 HA LYS 53 HA LYS 53 9.891 19.752 -6.023 371 HB2 LYS 53 1HB LYS 53 9.797 18.282 -3.429 372 HB3 LYS 53 2HB LYS 53 8.412 19.271 -3.872 373 HG2 LYS 53 1HG LYS 53 9.463 17.398 -5.913 374 HG3 LYS 53 2HG LYS 53 8.601 16.714 -4.533 375 HD2 LYS 53 1HD LYS 53 7.173 17.227 -6.534 376 HD3 LYS 53 2HD LYS 53 6.645 17.980 -5.027 377 HE2 LYS 53 1HE LYS 53 6.475 19.654 -6.681 378 HE3 LYS 53 2HE LYS 53 7.929 20.033 -5.759 379 HZ1 LYS 53 3HZ LYS 53 9.195 18.838 -7.532 380 HZ2 LYS 53 1HZ LYS 53 8.457 20.274 -8.037 381 HZ3 LYS 53 2HZ LYS 53 7.770 18.782 -8.442 382 H LYS 54 H LYS 54 11.652 20.713 -3.188 383 HA LYS 54 HA LYS 54 9.957 22.973 -2.603 384 HB2 LYS 54 1HB LYS 54 11.561 21.563 -1.029 385 HB3 LYS 54 2HB LYS 54 12.738 22.764 -1.542 386 HG2 LYS 54 1HG LYS 54 11.367 24.546 -0.681 387 HG3 LYS 54 2HG LYS 54 10.080 23.405 -0.280 388 HD2 LYS 54 1HD LYS 54 11.541 22.302 1.329 389 HD3 LYS 54 2HD LYS 54 12.857 23.400 0.904 390 HE2 LYS 54 1HE LYS 54 11.943 24.280 2.879 391 HE3 LYS 54 2HE LYS 54 11.287 25.285 1.586 392 HZ1 LYS 54 3HZ LYS 54 9.277 23.836 1.657 393 HZ2 LYS 54 1HZ LYS 54 9.522 24.759 3.054 394 HZ3 LYS 54 2HZ LYS 54 9.902 23.111 3.052 395 H MET 55 H MET 55 13.219 22.502 -3.940 396 HA MET 55 HA MET 55 13.833 25.188 -4.387 397 HB2 MET 55 1HB MET 55 14.711 22.890 -6.136 398 HB3 MET 55 2HB MET 55 15.550 24.412 -5.872 399 HG2 MET 55 1HG MET 55 15.921 23.794 -3.533 400 HG3 MET 55 2HG MET 55 15.099 22.262 -3.816 401 HE1 MET 55 3HE MET 55 18.756 23.992 -5.561 402 HE2 MET 55 1HE MET 55 17.854 24.503 -4.133 403 HE3 MET 55 2HE MET 55 19.207 23.383 -3.967 404 H ALA 56 H ALA 56 11.648 23.099 -6.020 405 HA ALA 56 HA ALA 56 11.578 24.637 -8.466 406 HB1 ALA 56 1HB ALA 56 9.391 22.746 -7.835 407 HB2 ALA 56 2HB ALA 56 10.307 22.970 -9.327 408 HB3 ALA 56 3HB ALA 56 11.015 22.072 -7.984 409 H LYS 57 H LYS 57 9.383 24.074 -5.722 410 HA LYS 57 HA LYS 57 7.273 25.680 -6.506 411 HB2 LYS 57 1HB LYS 57 8.338 25.222 -3.713 412 HB3 LYS 57 2HB LYS 57 6.759 25.900 -4.087 413 HG2 LYS 57 1HG LYS 57 5.923 23.888 -4.839 414 HG3 LYS 57 2HG LYS 57 7.525 23.233 -5.187 415 HD2 LYS 57 1HD LYS 57 6.651 22.123 -3.246 416 HD3 LYS 57 2HD LYS 57 7.968 23.182 -2.738 417 HE2 LYS 57 1HE LYS 57 6.390 23.683 -1.152 418 HE3 LYS 57 2HE LYS 57 6.019 24.901 -2.371 419 HZ1 LYS 57 3HZ LYS 57 4.235 23.185 -1.304 420 HZ2 LYS 57 1HZ LYS 57 4.632 22.406 -2.752 421 HZ3 LYS 57 2HZ LYS 57 4.037 23.989 -2.779 422 H ALA 58 H ALA 58 10.366 26.581 -5.149 423 HA ALA 58 HA ALA 58 9.690 29.268 -4.510 424 HB1 ALA 58 1HB ALA 58 11.960 27.587 -4.262 425 HB2 ALA 58 2HB ALA 58 12.463 29.062 -5.088 426 HB3 ALA 58 3HB ALA 58 11.669 29.159 -3.516 427 H ILE 59 H ILE 59 10.853 27.659 -7.397 428 HA ILE 59 HA ILE 59 11.542 30.040 -8.811 429 HB ILE 59 HB ILE 59 10.930 27.273 -9.856 430 HG12 ILE 59 1HG1 ILE 59 13.612 28.612 -9.479 431 HG13 ILE 59 2HG1 ILE 59 12.893 27.542 -8.281 432 HG21 ILE 59 1HG2 ILE 59 12.318 29.549 -11.262 433 HG22 ILE 59 2HG2 ILE 59 11.949 27.957 -11.922 434 HG23 ILE 59 3HG2 ILE 59 10.641 29.075 -11.537 435 HD11 ILE 59 3HD1 ILE 59 14.570 26.463 -9.756 436 HD12 ILE 59 1HD1 ILE 59 12.984 25.693 -9.784 437 HD13 ILE 59 2HD1 ILE 59 13.482 26.737 -11.116 438 H MET 60 H MET 60 8.739 27.851 -8.915 439 HA MET 60 HA MET 60 7.220 28.806 -10.903 440 HB2 MET 60 1HB MET 60 6.185 28.315 -8.105 441 HB3 MET 60 2HB MET 60 5.222 28.304 -9.576 442 HG2 MET 60 1HG MET 60 6.757 26.434 -10.369 443 HG3 MET 60 2HG MET 60 7.307 26.342 -8.698 444 HE1 MET 60 3HE MET 60 6.212 24.302 -10.580 445 HE2 MET 60 1HE MET 60 5.003 23.338 -9.731 446 HE3 MET 60 2HE MET 60 4.501 24.488 -10.970 447 H ALA 61 H ALA 61 7.808 30.459 -7.852 448 HA ALA 61 HA ALA 61 6.068 32.669 -8.595 449 HB1 ALA 61 1HB ALA 61 6.102 31.882 -6.271 450 HB2 ALA 61 2HB ALA 61 7.806 32.323 -6.155 451 HB3 ALA 61 3HB ALA 61 6.587 33.573 -6.402 452 H ASP 62 H ASP 62 9.480 32.366 -7.582 453 HA ASP 62 HA ASP 62 10.074 34.841 -9.032 454 HB2 ASP 62 1HB ASP 62 11.392 33.353 -6.800 455 HB3 ASP 62 2HB ASP 62 12.383 34.385 -7.828 456 HA PRO 63 HA PRO 63 11.578 32.001 -12.214 457 HB2 PRO 63 1HB PRO 63 11.663 33.892 -14.159 458 HB3 PRO 63 2HB PRO 63 10.174 33.064 -13.690 459 HG2 PRO 63 1HG PRO 63 11.169 35.771 -12.889 460 HG3 PRO 63 2HG PRO 63 9.532 35.274 -13.355 461 HD2 PRO 63 1HD PRO 63 10.274 35.609 -10.772 462 HD3 PRO 63 2HD PRO 63 9.068 34.405 -11.271 463 H ASN 64 H ASN 64 13.036 34.376 -10.461 464 HA ASN 64 HA ASN 64 15.427 34.607 -12.107 465 HB2 ASN 64 1HB ASN 64 15.160 35.711 -9.326 466 HB3 ASN 64 2HB ASN 64 16.118 36.323 -10.672 467 HD21 ASN 64 1HD2 ASN 64 13.706 37.180 -8.835 468 HD22 ASN 64 2HD2 ASN 64 12.689 38.017 -9.955 469 H LYS 65 H LYS 65 14.303 33.017 -9.200 470 HA LYS 65 HA LYS 65 16.809 32.200 -8.195 471 HB2 LYS 65 1HB LYS 65 13.986 31.274 -7.819 472 HB3 LYS 65 2HB LYS 65 15.305 30.307 -7.173 473 HG2 LYS 65 1HG LYS 65 15.067 33.231 -6.561 474 HG3 LYS 65 2HG LYS 65 14.190 32.013 -5.631 475 HD2 LYS 65 1HD LYS 65 17.141 31.758 -6.079 476 HD3 LYS 65 2HD LYS 65 16.514 32.802 -4.801 477 HE2 LYS 65 1HE LYS 65 15.721 29.914 -5.097 478 HE3 LYS 65 2HE LYS 65 17.101 30.432 -4.130 479 HZ1 LYS 65 3HZ LYS 65 14.977 32.018 -3.353 480 HZ2 LYS 65 1HZ LYS 65 15.691 30.762 -2.473 481 HZ3 LYS 65 2HZ LYS 65 14.352 30.449 -3.458 482 H ALA 66 H ALA 66 14.565 30.727 -10.486 483 HA ALA 66 HA ALA 66 15.420 28.197 -10.790 484 HB1 ALA 66 1HB ALA 66 14.040 30.020 -12.392 485 HB2 ALA 66 2HB ALA 66 15.323 29.372 -13.415 486 HB3 ALA 66 3HB ALA 66 14.183 28.279 -12.632 487 H ASP 67 H ASP 67 17.003 30.974 -12.373 488 HA ASP 67 HA ASP 67 19.041 29.769 -13.695 489 HB2 ASP 67 1HB ASP 67 19.261 32.282 -12.024 490 HB3 ASP 67 2HB ASP 67 20.389 31.800 -13.288 491 H GLU 68 H GLU 68 19.209 30.769 -10.275 492 HA GLU 68 HA GLU 68 21.735 29.675 -9.755 493 HB2 GLU 68 1HB GLU 68 20.883 31.240 -8.198 494 HB3 GLU 68 2HB GLU 68 19.397 30.327 -7.974 495 HG2 GLU 68 1HG GLU 68 20.704 30.016 -6.031 496 HG3 GLU 68 2HG GLU 68 20.772 28.510 -6.944 497 H VAL 69 H VAL 69 18.507 28.338 -9.054 498 HA VAL 69 HA VAL 69 19.181 25.945 -7.918 499 HB VAL 69 HB VAL 69 16.961 26.479 -9.893 500 HG11 VAL 69 1HG1 VAL 69 17.407 24.095 -9.806 501 HG12 VAL 69 2HG1 VAL 69 17.347 24.128 -8.042 502 HG13 VAL 69 3HG1 VAL 69 15.892 24.463 -8.982 503 HG21 VAL 69 3HG2 VAL 69 15.955 27.529 -8.214 504 HG22 VAL 69 1HG2 VAL 69 16.086 26.081 -7.215 505 HG23 VAL 69 2HG2 VAL 69 17.381 27.278 -7.207 506 H TYR 70 H TYR 70 18.618 26.403 -11.414 507 HA TYR 70 HA TYR 70 19.208 23.983 -12.422 508 HB2 TYR 70 1HB TYR 70 20.193 26.637 -13.485 509 HB3 TYR 70 2HB TYR 70 20.201 25.136 -14.404 510 HD1 TYR 70 1HD TYR 70 17.570 24.006 -13.577 511 HD2 TYR 70 2HD TYR 70 18.673 27.967 -14.672 512 HE1 TYR 70 1HE TYR 70 15.263 24.439 -14.311 513 HE2 TYR 70 2HE TYR 70 16.369 28.412 -15.408 514 HH TYR 70 HH TYR 70 13.785 26.116 -14.846 515 H LYS 71 H LYS 71 21.695 26.432 -11.694 516 HA LYS 71 HA LYS 71 23.919 24.851 -12.296 517 HB2 LYS 71 1HB LYS 71 23.457 27.284 -10.630 518 HB3 LYS 71 2HB LYS 71 24.995 26.447 -10.473 519 HG2 LYS 71 1HG LYS 71 25.506 27.965 -12.098 520 HG3 LYS 71 2HG LYS 71 24.990 26.599 -13.090 521 HD2 LYS 71 1HD LYS 71 22.750 27.586 -13.265 522 HD3 LYS 71 2HD LYS 71 23.282 28.956 -12.287 523 HE2 LYS 71 1HE LYS 71 24.681 28.197 -14.832 524 HE3 LYS 71 2HE LYS 71 23.253 29.232 -14.837 525 HZ1 LYS 71 3HZ LYS 71 25.327 29.994 -12.963 526 HZ2 LYS 71 1HZ LYS 71 24.396 30.954 -14.000 527 HZ3 LYS 71 2HZ LYS 71 25.752 30.136 -14.594 528 H LYS 72 H LYS 72 22.145 25.269 -9.263 529 HA LYS 72 HA LYS 72 23.858 23.763 -7.623 530 HB2 LYS 72 1HB LYS 72 20.931 24.444 -7.459 531 HB3 LYS 72 2HB LYS 72 21.707 23.440 -6.241 532 HG2 LYS 72 1HG LYS 72 23.275 25.246 -5.747 533 HG3 LYS 72 2HG LYS 72 22.497 26.254 -6.969 534 HD2 LYS 72 1HD LYS 72 20.397 26.149 -5.714 535 HD3 LYS 72 2HD LYS 72 21.176 25.139 -4.494 536 HE2 LYS 72 1HE LYS 72 22.822 27.024 -4.165 537 HE3 LYS 72 2HE LYS 72 21.767 28.012 -5.174 538 HZ1 LYS 72 3HZ LYS 72 21.389 28.251 -2.746 539 HZ2 LYS 72 1HZ LYS 72 20.867 26.642 -2.702 540 HZ3 LYS 72 2HZ LYS 72 20.011 27.784 -3.608 541 H TRP 73 H TRP 73 20.762 22.777 -9.102 542 HA TRP 73 HA TRP 73 20.758 20.125 -8.403 543 HB2 TRP 73 1HB TRP 73 19.726 21.561 -10.831 544 HB3 TRP 73 2HB TRP 73 19.563 19.812 -10.693 545 HD1 TRP 73 HD TRP 73 19.024 20.095 -7.395 546 HE1 TRP 73 1HE TRP 73 16.632 20.731 -6.687 547 HE3 TRP 73 3HE TRP 73 17.373 22.086 -11.806 548 HZ2 TRP 73 2HZ TRP 73 14.348 21.918 -7.845 549 HZ3 TRP 73 3HZ TRP 73 15.072 22.949 -11.922 550 HH2 TRP 73 HH TRP 73 13.592 22.866 -9.982 551 H ALA 74 H ALA 74 21.750 21.178 -11.662 552 HA ALA 74 HA ALA 74 22.887 18.946 -12.630 553 HB1 ALA 74 1HB ALA 74 23.324 21.789 -13.046 554 HB2 ALA 74 2HB ALA 74 24.756 20.821 -13.397 555 HB3 ALA 74 3HB ALA 74 23.234 20.473 -14.217 556 H ASP 75 H ASP 75 24.290 21.034 -10.177 557 HA ASP 75 HA ASP 75 26.866 19.865 -10.143 558 HB2 ASP 75 1HB ASP 75 25.954 22.084 -9.062 559 HB3 ASP 75 2HB ASP 75 25.652 21.043 -7.673 560 H LYS 76 H LYS 76 23.966 19.294 -8.172 561 HA LYS 76 HA LYS 76 24.987 17.398 -6.427 562 HB2 LYS 76 1HB LYS 76 22.206 17.419 -7.613 563 HB3 LYS 76 2HB LYS 76 22.693 16.652 -6.107 564 HG2 LYS 76 1HG LYS 76 22.968 19.606 -6.563 565 HG3 LYS 76 2HG LYS 76 21.491 18.875 -5.933 566 HD2 LYS 76 1HD LYS 76 24.111 18.234 -4.650 567 HD3 LYS 76 2HD LYS 76 23.326 19.776 -4.298 568 HE2 LYS 76 1HE LYS 76 22.001 17.083 -4.007 569 HE3 LYS 76 2HE LYS 76 22.777 17.954 -2.686 570 HZ1 LYS 76 3HZ LYS 76 20.189 18.328 -3.815 571 HZ2 LYS 76 1HZ LYS 76 21.071 19.771 -3.823 572 HZ3 LYS 76 2HZ LYS 76 20.828 18.937 -2.372 573 H GLY 77 H GLY 77 23.960 17.055 -9.761 574 HA2 GLY 77 1HA GLY 77 24.957 15.337 -11.125 575 HA3 GLY 77 2HA GLY 77 24.996 14.297 -9.708 576 H TYR 78 H TYR 78 22.297 16.254 -10.893 577 HA TYR 78 HA TYR 78 20.681 13.813 -11.007 578 HB2 TYR 78 1HB TYR 78 19.833 16.717 -11.020 579 HB3 TYR 78 2HB TYR 78 18.743 15.336 -11.000 580 HD1 TYR 78 1HD TYR 78 20.070 13.576 -9.034 581 HD2 TYR 78 2HD TYR 78 19.458 17.787 -8.982 582 HE1 TYR 78 1HE TYR 78 20.144 13.550 -6.576 583 HE2 TYR 78 2HE TYR 78 19.531 17.773 -6.524 584 HH TYR 78 HH TYR 78 20.795 15.589 -4.733 585 H THR 79 H THR 79 19.088 13.617 -12.764 586 HA THR 79 HA THR 79 19.780 14.993 -15.244 587 HB THR 79 HB THR 79 21.202 13.048 -15.363 588 HG1 THR 79 1HG THR 79 19.960 11.924 -17.168 589 HG21 THR 79 3HG2 THR 79 18.701 11.527 -14.655 590 HG22 THR 79 1HG2 THR 79 20.241 11.549 -13.798 591 HG23 THR 79 2HG2 THR 79 20.117 10.756 -15.368 592 H LEU 80 H LEU 80 18.203 14.575 -16.978 593 HA LEU 80 HA LEU 80 15.658 15.148 -16.449 594 HB2 LEU 80 1HB LEU 80 16.440 13.089 -18.507 595 HB3 LEU 80 2HB LEU 80 14.981 14.078 -18.516 596 HG LEU 80 HG LEU 80 17.814 15.032 -18.918 597 HD11 LEU 80 1HD1 LEU 80 15.593 14.298 -20.699 598 HD12 LEU 80 2HD1 LEU 80 17.331 14.328 -20.997 599 HD13 LEU 80 3HD1 LEU 80 16.397 15.822 -21.077 600 HD21 LEU 80 3HD2 LEU 80 16.669 16.729 -17.699 601 HD22 LEU 80 1HD2 LEU 80 15.226 16.556 -18.698 602 HD23 LEU 80 2HD2 LEU 80 16.702 17.226 -19.392 603 H THR 81 H THR 81 16.982 11.867 -16.345 604 HA THR 81 HA THR 81 14.595 10.497 -15.830 605 HB THR 81 HB THR 81 17.373 9.773 -14.877 606 HG1 THR 81 1HG THR 81 17.598 8.768 -16.826 607 HG21 THR 81 3HG2 THR 81 15.500 7.633 -15.550 608 HG22 THR 81 1HG2 THR 81 14.992 8.602 -14.168 609 HG23 THR 81 2HG2 THR 81 16.566 7.806 -14.156 610 H GLN 82 H GLN 82 17.140 11.273 -13.448 611 HA GLN 82 HA GLN 82 15.523 10.729 -11.206 612 HB2 GLN 82 1HB GLN 82 18.092 12.250 -11.575 613 HB3 GLN 82 2HB GLN 82 17.311 12.143 -10.002 614 HG2 GLN 82 1HG GLN 82 18.014 9.713 -11.615 615 HG3 GLN 82 2HG GLN 82 19.145 10.471 -10.495 616 HE21 GLN 82 1HE2 GLN 82 16.270 8.587 -10.829 617 HE22 GLN 82 2HE2 GLN 82 16.092 8.173 -9.162 618 H MET 83 H MET 83 16.603 13.866 -12.523 619 HA MET 83 HA MET 83 15.386 15.639 -10.912 620 HB2 MET 83 1HB MET 83 16.653 16.324 -12.872 621 HB3 MET 83 2HB MET 83 15.388 15.721 -13.934 622 HG2 MET 83 1HG MET 83 15.408 18.189 -13.637 623 HG3 MET 83 2HG MET 83 13.878 17.412 -13.235 624 HE1 MET 83 3HE MET 83 16.932 19.013 -10.190 625 HE2 MET 83 1HE MET 83 17.059 17.337 -10.724 626 HE3 MET 83 2HE MET 83 17.234 18.649 -11.890 627 H SER 84 H SER 84 13.718 14.351 -13.795 628 HA SER 84 HA SER 84 11.216 15.365 -13.350 629 HB2 SER 84 1HB SER 84 12.104 13.892 -15.294 630 HB3 SER 84 2HB SER 84 11.532 12.536 -14.322 631 HG SER 84 HG SER 84 9.544 13.041 -14.799 632 H ASN 85 H ASN 85 12.227 12.085 -12.366 633 HA ASN 85 HA ASN 85 10.084 11.234 -10.973 634 HB2 ASN 85 1HB ASN 85 13.013 10.885 -10.542 635 HB3 ASN 85 2HB ASN 85 11.924 10.313 -9.282 636 HD21 ASN 85 1HD2 ASN 85 13.524 8.563 -10.610 637 HD22 ASN 85 2HD2 ASN 85 12.570 7.549 -11.633 638 H PHE 86 H PHE 86 12.215 13.818 -10.052 639 HA PHE 86 HA PHE 86 11.152 13.984 -7.359 640 HB2 PHE 86 1HB PHE 86 13.034 15.845 -8.825 641 HB3 PHE 86 2HB PHE 86 12.665 15.897 -7.104 642 HD1 PHE 86 1HD PHE 86 12.750 13.049 -6.395 643 HD2 PHE 86 2HD PHE 86 15.290 15.333 -8.935 644 HE1 PHE 86 1HE PHE 86 14.595 11.483 -5.952 645 HE2 PHE 86 2HE PHE 86 17.139 13.771 -8.497 646 HZ PHE 86 HZ PHE 86 16.793 11.842 -7.005 647 H LEU 87 H LEU 87 11.002 15.838 -10.372 648 HA LEU 87 HA LEU 87 9.150 17.750 -9.237 649 HB2 LEU 87 1HB LEU 87 10.141 17.385 -12.060 650 HB3 LEU 87 2HB LEU 87 9.139 18.723 -11.501 651 HG LEU 87 HG LEU 87 11.948 18.135 -10.566 652 HD11 LEU 87 1HD1 LEU 87 12.031 18.869 -12.834 653 HD12 LEU 87 2HD1 LEU 87 12.475 20.233 -11.810 654 HD13 LEU 87 3HD1 LEU 87 10.863 20.153 -12.521 655 HD21 LEU 87 3HD2 LEU 87 10.910 19.237 -8.796 656 HD22 LEU 87 1HD2 LEU 87 9.931 20.239 -9.868 657 HD23 LEU 87 2HD2 LEU 87 11.661 20.545 -9.712 658 H LYS 88 H LYS 88 8.398 14.907 -9.376 659 HA LYS 88 HA LYS 88 6.153 15.009 -11.268 660 HB2 LYS 88 1HB LYS 88 7.639 12.775 -9.937 661 HB3 LYS 88 2HB LYS 88 5.989 12.511 -10.485 662 HG2 LYS 88 1HG LYS 88 8.093 13.609 -12.315 663 HG3 LYS 88 2HG LYS 88 7.889 11.874 -12.063 664 HD2 LYS 88 1HD LYS 88 5.737 11.879 -12.988 665 HD3 LYS 88 2HD LYS 88 5.575 13.629 -12.826 666 HE2 LYS 88 1HE LYS 88 7.466 13.827 -14.492 667 HE3 LYS 88 2HE LYS 88 7.286 12.095 -14.772 668 HZ1 LYS 88 3HZ LYS 88 5.255 12.374 -15.766 669 HZ2 LYS 88 1HZ LYS 88 6.033 13.794 -16.258 670 HZ3 LYS 88 2HZ LYS 88 4.927 13.835 -14.979 671 H SER 89 H SER 89 4.684 16.259 -10.150 672 HA SER 89 HA SER 89 3.932 15.444 -7.447 673 HB2 SER 89 1HB SER 89 3.563 17.895 -9.094 674 HB3 SER 89 2HB SER 89 2.315 17.530 -7.902 675 HG SER 89 HG SER 89 3.906 18.784 -6.939 676 H LYS 90 H LYS 90 3.322 13.768 -9.756 677 HA LYS 90 HA LYS 90 1.543 12.811 -10.887 678 HB2 LYS 90 1HB LYS 90 1.730 11.883 -8.481 679 HB3 LYS 90 2HB LYS 90 0.269 12.810 -8.163 680 HG2 LYS 90 1HG LYS 90 -0.483 10.659 -8.666 681 HG3 LYS 90 2HG LYS 90 -0.747 11.581 -10.148 682 HD2 LYS 90 1HD LYS 90 1.543 10.712 -10.883 683 HD3 LYS 90 2HD LYS 90 1.399 9.562 -9.552 684 HE2 LYS 90 1HE LYS 90 0.505 8.330 -11.264 685 HE3 LYS 90 2HE LYS 90 -0.950 9.099 -10.633 686 HZ1 LYS 90 3HZ LYS 90 0.037 9.226 -13.218 687 HZ2 LYS 90 1HZ LYS 90 0.261 10.769 -12.560 688 HZ3 LYS 90 2HZ LYS 90 -1.280 10.073 -12.578 689 H THR 91 H THR 91 1.256 15.360 -11.500 690 HA THR 91 HA THR 91 -1.609 15.905 -11.074 691 HB THR 91 HB THR 91 0.645 17.906 -11.291 692 HG1 THR 91 1HG THR 91 -1.167 17.140 -9.246 693 HG21 THR 91 3HG2 THR 91 -0.922 19.113 -12.409 694 HG22 THR 91 1HG2 THR 91 -1.508 19.424 -10.775 695 HG23 THR 91 2HG2 THR 91 -2.266 18.173 -11.760 696 H ALA 92 H ALA 92 0.673 15.003 -13.270 697 HA ALA 92 HA ALA 92 0.548 14.686 -15.531 698 HB1 ALA 92 1HB ALA 92 -1.519 14.445 -16.296 699 HB2 ALA 92 2HB ALA 92 -2.120 15.194 -14.816 700 HB3 ALA 92 3HB ALA 92 -1.787 16.187 -16.235 701 H GLY 93 H GLY 93 1.900 16.906 -14.317 702 HA2 GLY 93 1HA GLY 93 3.134 18.313 -16.070 703 HA3 GLY 93 2HA GLY 93 1.548 19.022 -16.338 704 H LYS 94 H LYS 94 3.740 18.303 -13.618 705 HA LYS 94 HA LYS 94 3.049 20.946 -12.511 706 HB2 LYS 94 1HB LYS 94 2.483 18.670 -11.270 707 HB3 LYS 94 2HB LYS 94 4.165 18.792 -10.773 708 HG2 LYS 94 1HG LYS 94 2.951 19.795 -9.049 709 HG3 LYS 94 2HG LYS 94 3.597 21.143 -9.986 710 HD2 LYS 94 1HD LYS 94 1.464 21.414 -11.114 711 HD3 LYS 94 2HD LYS 94 0.812 20.012 -10.262 712 HE2 LYS 94 1HE LYS 94 1.262 21.233 -8.116 713 HE3 LYS 94 2HE LYS 94 1.656 22.654 -9.083 714 HZ1 LYS 94 3HZ LYS 94 -0.953 21.286 -8.825 715 HZ2 LYS 94 1HZ LYS 94 -0.628 22.354 -10.096 716 HZ3 LYS 94 2HZ LYS 94 -0.578 22.902 -8.497 717 H TYR 95 H TYR 95 4.652 22.368 -12.302 718 HA TYR 95 HA TYR 95 6.730 23.292 -12.234 719 HB2 TYR 95 1HB TYR 95 7.671 20.535 -11.422 720 HB3 TYR 95 2HB TYR 95 8.542 22.048 -11.200 721 HD1 TYR 95 2HD TYR 95 5.530 20.165 -10.144 722 HD2 TYR 95 1HD TYR 95 8.162 23.400 -9.302 723 HE1 TYR 95 2HE TYR 95 4.479 20.438 -7.938 724 HE2 TYR 95 1HE TYR 95 7.119 23.681 -7.092 725 HH TYR 95 HH TYR 95 4.680 21.427 -5.912 726 H ASP 96 H ASP 96 5.688 22.089 -14.666 727 HA ASP 96 HA ASP 96 7.770 20.750 -16.062 728 HB2 ASP 96 1HB ASP 96 5.279 20.769 -16.629 729 HB3 ASP 96 2HB ASP 96 5.561 22.355 -17.342 730 H ARG 97 H ARG 97 6.668 24.124 -16.001 731 HA ARG 97 HA ARG 97 8.326 25.198 -17.927 732 HB2 ARG 97 1HB ARG 97 8.198 27.320 -16.541 733 HB3 ARG 97 2HB ARG 97 6.660 26.597 -16.994 734 HG2 ARG 97 1HG ARG 97 6.277 25.788 -14.823 735 HG3 ARG 97 2HG ARG 97 7.952 26.060 -14.341 736 HD2 ARG 97 1HD ARG 97 6.935 27.868 -13.364 737 HD3 ARG 97 2HD ARG 97 7.383 28.554 -14.925 738 HE ARG 97 HE ARG 97 4.716 27.996 -13.965 739 HH11 ARG 97 2HH1 ARG 97 6.735 28.633 -16.729 740 HH12 ARG 97 1HH1 ARG 97 5.427 29.191 -17.719 741 HH21 ARG 97 2HH2 ARG 97 2.986 28.729 -15.259 742 HH22 ARG 97 1HH2 ARG 97 3.296 29.246 -16.881 743 H VAL 98 H VAL 98 9.128 24.021 -14.777 744 HA VAL 98 HA VAL 98 11.729 25.319 -14.747 745 HB VAL 98 HB VAL 98 10.522 23.330 -12.820 746 HG11 VAL 98 1HG1 VAL 98 12.400 23.406 -11.564 747 HG12 VAL 98 2HG1 VAL 98 13.155 23.758 -13.120 748 HG13 VAL 98 3HG1 VAL 98 12.763 25.073 -12.011 749 HG21 VAL 98 3HG2 VAL 98 9.440 25.033 -11.891 750 HG22 VAL 98 1HG2 VAL 98 10.944 25.942 -11.737 751 HG23 VAL 98 2HG2 VAL 98 9.984 26.069 -13.211 752 H TYR 99 H TYR 99 10.342 22.122 -15.245 753 HA TYR 99 HA TYR 99 12.716 20.632 -15.238 754 HB2 TYR 99 1HB TYR 99 10.581 19.516 -15.137 755 HB3 TYR 99 2HB TYR 99 10.109 20.175 -16.700 756 HD1 TYR 99 1HD TYR 99 12.621 17.941 -15.097 757 HD2 TYR 99 2HD TYR 99 10.515 18.961 -18.650 758 HE1 TYR 99 1HE TYR 99 13.540 15.947 -16.206 759 HE2 TYR 99 2HE TYR 99 11.427 16.969 -19.769 760 HH TYR 99 HH TYR 99 12.502 14.999 -19.434 761 H ASN 100 H ASN 100 10.989 22.221 -17.902 762 HA ASN 100 HA ASN 100 12.617 21.385 -20.002 763 HB2 ASN 100 1HB ASN 100 11.499 22.925 -21.300 764 HB3 ASN 100 2HB ASN 100 10.387 22.804 -19.940 765 HD21 ASN 100 1HD2 ASN 100 9.726 24.648 -19.127 766 HD22 ASN 100 2HD2 ASN 100 10.555 26.161 -19.220 767 H GLY 101 H GLY 101 12.861 24.334 -18.017 768 HA2 GLY 101 1HA GLY 101 15.047 25.520 -19.214 769 HA3 GLY 101 2HA GLY 101 14.678 25.642 -17.500 770 H TYR 102 H TYR 102 15.058 23.011 -16.703 771 HA TYR 102 HA TYR 102 17.841 22.940 -16.323 772 HB2 TYR 102 1HB TYR 102 16.252 21.920 -14.753 773 HB3 TYR 102 2HB TYR 102 15.818 20.718 -15.964 774 HD1 TYR 102 1HD TYR 102 19.140 22.026 -14.867 775 HD2 TYR 102 2HD TYR 102 16.562 18.659 -15.213 776 HE1 TYR 102 1HE TYR 102 20.947 20.567 -14.059 777 HE2 TYR 102 2HE TYR 102 18.362 17.191 -14.404 778 HH TYR 102 HH TYR 102 20.403 17.126 -13.466 779 H VAL 103 H VAL 103 15.731 21.271 -18.597 780 HA VAL 103 HA VAL 103 17.477 19.369 -19.606 781 HB VAL 103 HB VAL 103 15.390 20.937 -21.127 782 HG11 VAL 103 1HG1 VAL 103 15.410 18.689 -22.459 783 HG12 VAL 103 2HG1 VAL 103 16.597 19.944 -22.819 784 HG13 VAL 103 3HG1 VAL 103 17.051 18.558 -21.827 785 HG21 VAL 103 3HG2 VAL 103 14.080 19.896 -19.599 786 HG22 VAL 103 1HG2 VAL 103 14.279 18.535 -20.703 787 HG23 VAL 103 2HG2 VAL 103 15.280 18.650 -19.256 788 H ILE 104 H ILE 104 17.025 22.735 -20.651 789 HA ILE 104 HA ILE 104 18.965 22.641 -22.714 790 HB ILE 104 HB ILE 104 17.835 24.994 -21.197 791 HG12 ILE 104 1HG1 ILE 104 17.238 24.266 -24.046 792 HG13 ILE 104 2HG1 ILE 104 16.395 23.447 -22.735 793 HG21 ILE 104 1HG2 ILE 104 20.077 25.430 -22.204 794 HG22 ILE 104 2HG2 ILE 104 19.383 25.053 -23.780 795 HG23 ILE 104 3HG2 ILE 104 18.780 26.430 -22.858 796 HD11 ILE 104 3HD1 ILE 104 16.275 26.311 -23.561 797 HD12 ILE 104 1HD1 ILE 104 14.963 25.168 -23.276 798 HD13 ILE 104 2HD1 ILE 104 15.861 25.837 -21.913 799 H HIS 105 H HIS 105 19.083 23.859 -19.375 800 HA HIS 105 HA HIS 105 21.563 24.940 -19.224 801 HB2 HIS 105 1HB HIS 105 20.265 24.944 -17.252 802 HB3 HIS 105 2HB HIS 105 20.101 23.190 -17.256 803 HD1 HIS 105 1HD HIS 105 22.119 25.895 -15.881 804 HD2 HIS 105 2HD HIS 105 22.585 21.823 -16.557 805 HE1 HIS 105 1HE HIS 105 24.079 25.200 -14.468 806 HE2 HIS 105 2HE HIS 105 24.395 22.750 -14.959 807 H LEU 106 H LEU 106 20.834 21.468 -18.992 808 HA LEU 106 HA LEU 106 23.492 20.608 -18.656 809 HB2 LEU 106 1HB LEU 106 20.951 19.317 -19.531 810 HB3 LEU 106 2HB LEU 106 22.469 18.445 -19.736 811 HG LEU 106 HG LEU 106 21.301 19.424 -17.132 812 HD11 LEU 106 1HD1 LEU 106 20.707 17.251 -16.671 813 HD12 LEU 106 2HD1 LEU 106 21.860 16.576 -17.822 814 HD13 LEU 106 3HD1 LEU 106 20.381 17.340 -18.402 815 HD21 LEU 106 3HD2 LEU 106 23.202 18.060 -16.171 816 HD22 LEU 106 1HD2 LEU 106 23.647 19.596 -16.915 817 HD23 LEU 106 2HD2 LEU 106 23.915 18.085 -17.785 818 H ASP 107 H ASP 107 21.644 21.473 -21.478 819 HA ASP 107 HA ASP 107 22.959 20.243 -23.535 820 HB2 ASP 107 1HB ASP 107 21.024 21.874 -23.687 821 HB3 ASP 107 2HB ASP 107 22.215 23.168 -23.599 822 H TYR 108 H TYR 108 24.229 22.558 -21.341 823 HA TYR 108 HA TYR 108 26.254 23.760 -22.802 824 HB2 TYR 108 1HB TYR 108 27.163 24.416 -20.773 825 HB3 TYR 108 2HB TYR 108 25.498 24.074 -20.316 826 HD1 TYR 108 1HD TYR 108 25.032 21.668 -19.426 827 HD2 TYR 108 2HD TYR 108 28.898 23.437 -19.581 828 HE1 TYR 108 1HE TYR 108 25.821 20.079 -17.722 829 HE2 TYR 108 2HE TYR 108 29.698 21.853 -17.879 830 HH TYR 108 HH TYR 108 28.371 19.118 -17.143 Start of MODEL 16 1 H1 GLY 1 H GLY 1 19.027 70.308 -2.403 2 HA2 GLY 1 1HA GLY 1 19.976 69.957 -5.101 3 HA3 GLY 1 2HA GLY 1 21.173 69.538 -3.885 4 H SER 2 H SER 2 19.848 67.825 -5.847 5 HA SER 2 HA SER 2 19.090 65.706 -4.035 6 HB2 SER 2 1HB SER 2 16.996 67.157 -4.739 7 HB3 SER 2 2HB SER 2 17.117 66.216 -6.225 8 HG SER 2 HG SER 2 17.156 64.944 -3.713 9 H SER 3 H SER 3 19.444 63.687 -4.878 10 HA SER 3 HA SER 3 20.230 63.522 -7.706 11 HB2 SER 3 1HB SER 3 22.186 63.650 -6.009 12 HB3 SER 3 2HB SER 3 21.726 62.002 -5.584 13 HG SER 3 HG SER 3 22.321 61.309 -7.539 14 H GLY 4 H GLY 4 20.531 61.104 -8.319 15 HA2 GLY 4 1HA GLY 4 18.789 59.291 -6.865 16 HA3 GLY 4 2HA GLY 4 18.198 59.789 -8.444 17 H SER 5 H SER 5 19.833 57.425 -6.860 18 HA SER 5 HA SER 5 20.620 56.123 -9.264 19 HB2 SER 5 1HB SER 5 23.033 56.014 -8.862 20 HB3 SER 5 2HB SER 5 22.518 57.690 -9.055 21 HG SER 5 HG SER 5 23.884 56.729 -7.078 22 H SER 6 H SER 6 21.985 54.082 -8.666 23 HA SER 6 HA SER 6 20.682 52.894 -6.323 24 HB2 SER 6 1HB SER 6 20.956 50.773 -7.363 25 HB3 SER 6 2HB SER 6 20.443 51.869 -8.647 26 HG SER 6 HG SER 6 22.207 50.586 -9.304 27 H GLY 7 H GLY 7 22.081 50.993 -5.386 28 HA2 GLY 7 1HA GLY 7 24.910 51.334 -5.358 29 HA3 GLY 7 2HA GLY 7 24.174 52.074 -3.945 30 H ASN 8 H ASN 8 25.880 49.554 -4.593 31 HA ASN 8 HA ASN 8 24.176 47.509 -3.391 32 HB2 ASN 8 1HB ASN 8 25.709 47.092 -5.406 33 HB3 ASN 8 2HB ASN 8 27.041 47.149 -4.255 34 HD21 ASN 8 1HD2 ASN 8 27.705 45.125 -4.062 35 HD22 ASN 8 2HD2 ASN 8 26.702 43.768 -3.694 36 H VAL 9 H VAL 9 25.136 46.142 -1.654 37 HA VAL 9 HA VAL 9 26.084 47.835 0.475 38 HB VAL 9 HB VAL 9 24.410 46.110 0.936 39 HG11 VAL 9 1HG1 VAL 9 25.605 44.513 -0.770 40 HG12 VAL 9 2HG1 VAL 9 26.456 43.958 0.674 41 HG13 VAL 9 3HG1 VAL 9 24.696 43.859 0.592 42 HG21 VAL 9 3HG2 VAL 9 26.408 44.889 2.571 43 HG22 VAL 9 1HG2 VAL 9 26.766 46.608 2.407 44 HG23 VAL 9 2HG2 VAL 9 25.194 46.089 3.014 45 H ASP 10 H ASP 10 28.161 48.306 0.711 46 HA ASP 10 HA ASP 10 30.238 46.730 -0.481 47 HB2 ASP 10 1HB ASP 10 30.385 49.092 1.405 48 HB3 ASP 10 2HB ASP 10 31.762 48.384 0.565 49 H SER 11 H SER 11 32.072 45.853 0.704 50 HA SER 11 HA SER 11 31.172 44.458 3.102 51 HB2 SER 11 1HB SER 11 33.119 43.009 2.751 52 HB3 SER 11 2HB SER 11 32.171 43.142 1.269 53 HG SER 11 HG SER 11 33.867 43.931 0.334 54 H ASN 12 H ASN 12 31.313 46.155 4.612 55 HA ASN 12 HA ASN 12 33.898 47.404 5.069 56 HB2 ASN 12 1HB ASN 12 31.662 48.621 5.234 57 HB3 ASN 12 2HB ASN 12 31.409 47.744 6.740 58 HD21 ASN 12 1HD2 ASN 12 32.940 48.069 8.456 59 HD22 ASN 12 2HD2 ASN 12 33.782 49.572 8.580 60 H GLN 13 H GLN 13 31.603 45.377 6.884 61 HA GLN 13 HA GLN 13 33.139 45.041 9.186 62 HB2 GLN 13 1HB GLN 13 30.722 44.385 8.847 63 HB3 GLN 13 2HB GLN 13 31.305 42.954 8.007 64 HG2 GLN 13 1HG GLN 13 32.012 43.659 10.844 65 HG3 GLN 13 2HG GLN 13 30.704 42.571 10.380 66 HE21 GLN 13 1HE2 GLN 13 31.324 40.689 9.067 67 HE22 GLN 13 2HE2 GLN 13 32.848 39.937 9.379 68 H ASN 14 H ASN 14 35.196 44.398 9.184 69 HA ASN 14 HA ASN 14 35.859 41.757 8.271 70 HB2 ASN 14 1HB ASN 14 37.662 42.436 6.744 71 HB3 ASN 14 2HB ASN 14 36.094 42.993 6.166 72 HD21 ASN 14 1HD2 ASN 14 37.666 44.369 4.920 73 HD22 ASN 14 2HD2 ASN 14 38.092 45.890 5.620 74 H LYS 15 H LYS 15 37.781 40.977 9.160 75 HA LYS 15 HA LYS 15 39.224 40.751 10.923 76 HB2 LYS 15 1HB LYS 15 40.439 42.146 9.142 77 HB3 LYS 15 2HB LYS 15 40.145 43.524 10.194 78 HG2 LYS 15 1HG LYS 15 42.254 42.889 10.835 79 HG3 LYS 15 2HG LYS 15 41.256 42.031 12.012 80 HD2 LYS 15 1HD LYS 15 41.354 40.032 10.502 81 HD3 LYS 15 2HD LYS 15 42.532 40.908 9.522 82 HE2 LYS 15 1HE LYS 15 44.124 40.914 11.244 83 HE3 LYS 15 2HE LYS 15 42.925 40.508 12.471 84 HZ1 LYS 15 3HZ LYS 15 43.946 38.502 12.162 85 HZ2 LYS 15 1HZ LYS 15 44.248 38.763 10.518 86 HZ3 LYS 15 2HZ LYS 15 42.689 38.362 11.038 87 H ALA 16 H ALA 16 36.733 41.626 11.795 88 HA ALA 16 HA ALA 16 36.971 43.891 13.526 89 HB1 ALA 16 1HB ALA 16 34.870 41.981 14.198 90 HB2 ALA 16 2HB ALA 16 34.758 43.688 13.766 91 HB3 ALA 16 3HB ALA 16 34.869 42.464 12.502 92 H SER 17 H SER 17 36.684 43.767 15.884 93 HA SER 17 HA SER 17 38.620 42.025 17.042 94 HB2 SER 17 1HB SER 17 36.730 44.086 18.152 95 HB3 SER 17 2HB SER 17 37.697 43.072 19.222 96 HG SER 17 HG SER 17 38.979 44.780 18.872 97 H MET 18 H MET 18 37.769 39.939 16.553 98 HA MET 18 HA MET 18 35.235 39.105 17.602 99 HB2 MET 18 1HB MET 18 36.146 38.044 15.609 100 HB3 MET 18 2HB MET 18 37.558 37.507 16.510 101 HG2 MET 18 1HG MET 18 36.052 35.667 16.220 102 HG3 MET 18 2HG MET 18 36.096 36.120 17.923 103 HE1 MET 18 3HE MET 18 32.818 34.845 15.845 104 HE2 MET 18 1HE MET 18 33.122 36.198 14.755 105 HE3 MET 18 2HE MET 18 34.427 35.083 15.162 106 H LEU 19 H LEU 19 38.622 38.425 18.464 107 HA LEU 19 HA LEU 19 38.240 36.757 20.615 108 HB2 LEU 19 1HB LEU 19 40.401 37.393 21.381 109 HB3 LEU 19 2HB LEU 19 40.423 37.411 19.619 110 HG LEU 19 HG LEU 19 39.955 39.977 19.960 111 HD11 LEU 19 1HD1 LEU 19 40.120 39.195 22.602 112 HD12 LEU 19 2HD1 LEU 19 40.251 40.843 21.988 113 HD13 LEU 19 3HD1 LEU 19 41.708 39.889 22.271 114 HD21 LEU 19 3HD2 LEU 19 42.437 38.383 19.934 115 HD22 LEU 19 1HD2 LEU 19 42.608 40.077 20.391 116 HD23 LEU 19 2HD2 LEU 19 41.887 39.652 18.839 117 H GLN 20 H GLN 20 38.015 40.274 20.513 118 HA GLN 20 HA GLN 20 37.909 40.896 23.189 119 HB2 GLN 20 1HB GLN 20 37.789 42.472 21.197 120 HB3 GLN 20 2HB GLN 20 36.065 42.129 21.147 121 HG2 GLN 20 1HG GLN 20 36.236 42.812 23.699 122 HG3 GLN 20 2HG GLN 20 37.635 43.704 23.103 123 HE21 GLN 20 1HE2 GLN 20 34.246 43.589 23.340 124 HE22 GLN 20 2HE2 GLN 20 33.896 45.015 22.431 125 H ALA 21 H ALA 21 35.488 39.337 21.218 126 HA ALA 21 HA ALA 21 33.551 39.427 23.414 127 HB1 ALA 21 1HB ALA 21 33.329 39.433 20.570 128 HB2 ALA 21 2HB ALA 21 32.483 38.025 21.212 129 HB3 ALA 21 3HB ALA 21 32.065 39.640 21.782 130 H ARG 22 H ARG 22 32.972 37.668 24.569 131 HA ARG 22 HA ARG 22 33.946 35.037 23.714 132 HB2 ARG 22 1HB ARG 22 34.321 36.209 26.476 133 HB3 ARG 22 2HB ARG 22 34.677 34.547 26.026 134 HG2 ARG 22 1HG ARG 22 36.482 35.184 24.670 135 HG3 ARG 22 2HG ARG 22 35.978 36.876 24.655 136 HD2 ARG 22 1HD ARG 22 36.345 36.787 27.199 137 HD3 ARG 22 2HD ARG 22 37.243 35.304 26.875 138 HE ARG 22 HE ARG 22 38.117 37.465 25.232 139 HH11 ARG 22 2HH1 ARG 22 38.367 36.087 28.419 140 HH12 ARG 22 1HH1 ARG 22 39.930 36.767 28.733 141 HH21 ARG 22 2HH2 ARG 22 40.174 38.366 25.633 142 HH22 ARG 22 1HH2 ARG 22 40.956 38.064 27.147 143 H LEU 23 H LEU 23 32.570 33.381 24.111 144 HA LEU 23 HA LEU 23 30.056 34.057 25.481 145 HB2 LEU 23 1HB LEU 23 29.354 33.464 23.402 146 HB3 LEU 23 2HB LEU 23 30.731 32.400 23.122 147 HG LEU 23 HG LEU 23 29.670 30.709 24.587 148 HD11 LEU 23 1HD1 LEU 23 27.065 31.256 24.767 149 HD12 LEU 23 2HD1 LEU 23 27.704 32.894 24.908 150 HD13 LEU 23 3HD1 LEU 23 28.216 31.647 26.045 151 HD21 LEU 23 3HD2 LEU 23 28.479 31.695 22.058 152 HD22 LEU 23 1HD2 LEU 23 27.584 30.467 22.954 153 HD23 LEU 23 2HD2 LEU 23 29.237 30.146 22.429 154 H ASN 24 H ASN 24 30.004 33.317 27.496 155 HA ASN 24 HA ASN 24 30.968 30.582 27.999 156 HB2 ASN 24 1HB ASN 24 32.611 31.815 29.090 157 HB3 ASN 24 2HB ASN 24 31.491 33.095 29.546 158 HD21 ASN 24 1HD2 ASN 24 33.299 30.696 30.746 159 HD22 ASN 24 2HD2 ASN 24 32.397 30.305 32.167 160 H ASP 25 H ASP 25 29.468 29.276 28.805 161 HA ASP 25 HA ASP 25 27.164 30.476 30.198 162 HB2 ASP 25 1HB ASP 25 26.465 29.681 28.007 163 HB3 ASP 25 2HB ASP 25 27.183 28.103 28.322 164 H GLU 26 H GLU 26 29.071 27.502 29.798 165 HA GLU 26 HA GLU 26 28.055 26.217 32.106 166 HB2 GLU 26 1HB GLU 26 29.927 24.666 31.837 167 HB3 GLU 26 2HB GLU 26 29.144 24.982 30.295 168 HG2 GLU 26 1HG GLU 26 30.975 26.757 29.969 169 HG3 GLU 26 2HG GLU 26 31.809 25.918 31.276 170 H ALA 27 H ALA 27 29.027 25.889 34.139 171 HA ALA 27 HA ALA 27 30.918 28.014 34.912 172 HB1 ALA 27 1HB ALA 27 29.415 28.582 36.443 173 HB2 ALA 27 2HB ALA 27 28.405 27.194 36.037 174 HB3 ALA 27 3HB ALA 27 29.694 27.028 37.229 175 H GLY 28 H GLY 28 32.103 27.379 37.043 176 HA2 GLY 28 1HA GLY 28 33.969 25.448 36.542 177 HA3 GLY 28 2HA GLY 28 33.539 25.968 38.164 178 H GLY 29 H GLY 29 34.173 23.292 36.717 179 HA2 GLY 29 1HA GLY 29 33.618 21.227 37.882 180 HA3 GLY 29 2HA GLY 29 31.968 21.818 38.014 181 H THR 30 H THR 30 33.262 19.364 36.776 182 HA THR 30 HA THR 30 31.537 19.259 34.479 183 HB THR 30 HB THR 30 33.523 20.344 33.495 184 HG1 THR 30 1HG THR 30 32.435 19.044 32.076 185 HG21 THR 30 3HG2 THR 30 35.629 19.664 33.852 186 HG22 THR 30 1HG2 THR 30 35.216 17.970 33.593 187 HG23 THR 30 2HG2 THR 30 34.966 18.706 35.176 188 H ARG 31 H ARG 31 30.715 17.275 34.381 189 HA ARG 31 HA ARG 31 31.966 15.148 35.922 190 HB2 ARG 31 1HB ARG 31 29.418 15.819 35.824 191 HB3 ARG 31 2HB ARG 31 29.417 14.781 34.405 192 HG2 ARG 31 1HG ARG 31 30.026 12.885 35.666 193 HG3 ARG 31 2HG ARG 31 30.449 13.866 37.071 194 HD2 ARG 31 1HD ARG 31 27.677 13.564 35.922 195 HD3 ARG 31 2HD ARG 31 28.290 12.711 37.338 196 HE ARG 31 HE ARG 31 28.670 15.362 37.895 197 HH11 ARG 31 2HH1 ARG 31 25.945 13.368 37.046 198 HH12 ARG 31 1HH1 ARG 31 24.802 14.330 37.923 199 HH21 ARG 31 2HH2 ARG 31 27.174 16.637 39.054 200 HH22 ARG 31 1HH2 ARG 31 25.502 16.189 39.064 201 H LEU 32 H LEU 32 31.907 12.905 34.957 202 HA LEU 32 HA LEU 32 33.354 12.953 32.471 203 HB2 LEU 32 1HB LEU 32 32.464 10.645 34.194 204 HB3 LEU 32 2HB LEU 32 33.550 10.521 32.811 205 HG LEU 32 HG LEU 32 34.233 12.243 35.171 206 HD11 LEU 32 1HD1 LEU 32 35.457 9.587 35.085 207 HD12 LEU 32 2HD1 LEU 32 33.737 9.582 35.473 208 HD13 LEU 32 3HD1 LEU 32 34.859 10.522 36.456 209 HD21 LEU 32 3HD2 LEU 32 35.490 11.440 32.692 210 HD22 LEU 32 1HD2 LEU 32 36.487 11.040 34.090 211 HD23 LEU 32 2HD2 LEU 32 35.953 12.701 33.836 212 H LEU 33 H LEU 33 31.662 13.760 31.091 213 HA LEU 33 HA LEU 33 29.336 12.108 30.630 214 HB2 LEU 33 1HB LEU 33 28.509 13.833 29.412 215 HB3 LEU 33 2HB LEU 33 29.666 14.719 30.403 216 HG LEU 33 HG LEU 33 30.377 13.734 27.656 217 HD11 LEU 33 1HD1 LEU 33 29.111 15.259 26.667 218 HD12 LEU 33 2HD1 LEU 33 29.770 16.529 27.698 219 HD13 LEU 33 3HD1 LEU 33 28.361 15.608 28.225 220 HD21 LEU 33 3HD2 LEU 33 32.190 14.433 29.160 221 HD22 LEU 33 1HD2 LEU 33 31.412 16.005 29.350 222 HD23 LEU 33 2HD2 LEU 33 32.027 15.511 27.773 223 H ARG 34 H ARG 34 28.795 11.490 28.329 224 HA ARG 34 HA ARG 34 31.193 10.569 26.892 225 HB2 ARG 34 1HB ARG 34 28.685 9.003 27.506 226 HB3 ARG 34 2HB ARG 34 29.877 8.497 26.316 227 HG2 ARG 34 1HG ARG 34 31.525 8.793 28.357 228 HG3 ARG 34 2HG ARG 34 30.043 8.527 29.278 229 HD2 ARG 34 1HD ARG 34 30.879 6.704 27.042 230 HD3 ARG 34 2HD ARG 34 31.458 6.480 28.692 231 HE ARG 34 HE ARG 34 28.749 6.640 28.946 232 HH11 ARG 34 2HH1 ARG 34 30.926 4.662 27.083 233 HH12 ARG 34 1HH1 ARG 34 29.872 3.287 27.068 234 HH21 ARG 34 2HH2 ARG 34 27.352 4.836 28.933 235 HH22 ARG 34 1HH2 ARG 34 27.839 3.388 28.120 236 H VAL 35 H VAL 35 31.081 10.551 24.661 237 HA VAL 35 HA VAL 35 29.013 12.239 23.521 238 HB VAL 35 HB VAL 35 31.478 11.036 22.254 239 HG11 VAL 35 1HG1 VAL 35 29.766 13.247 21.148 240 HG12 VAL 35 2HG1 VAL 35 31.060 12.357 20.342 241 HG13 VAL 35 3HG1 VAL 35 29.534 11.553 20.715 242 HG21 VAL 35 3HG2 VAL 35 32.059 13.593 22.284 243 HG22 VAL 35 1HG2 VAL 35 30.908 13.624 23.619 244 HG23 VAL 35 2HG2 VAL 35 32.336 12.594 23.711 245 H HIS 36 H HIS 36 27.211 11.412 22.714 246 HA HIS 36 HA HIS 36 26.741 8.673 22.332 247 HB2 HIS 36 1HB HIS 36 25.255 11.037 21.166 248 HB3 HIS 36 2HB HIS 36 24.654 9.382 21.217 249 HD1 HIS 36 1HD HIS 36 23.934 8.456 23.544 250 HD2 HIS 36 2HD HIS 36 25.049 12.458 23.546 251 HE1 HIS 36 1HE HIS 36 23.128 9.378 25.741 252 HE2 HIS 36 2HE HIS 36 23.739 11.820 25.683 253 H HIS 37 H HIS 37 25.932 7.763 20.187 254 HA HIS 37 HA HIS 37 27.892 8.445 18.100 255 HB2 HIS 37 1HB HIS 37 27.875 6.113 19.188 256 HB3 HIS 37 2HB HIS 37 26.393 5.839 18.276 257 HD1 HIS 37 1HD HIS 37 30.043 6.674 17.685 258 HD2 HIS 37 2HD HIS 37 26.778 5.049 15.695 259 HE1 HIS 37 1HE HIS 37 30.943 5.830 15.493 260 HE2 HIS 37 2HE HIS 37 28.934 4.928 14.271 261 H GLU 38 H GLU 38 27.218 8.322 15.879 262 HA GLU 38 HA GLU 38 24.378 9.011 15.553 263 HB2 GLU 38 1HB GLU 38 26.804 9.724 13.902 264 HB3 GLU 38 2HB GLU 38 25.155 10.056 13.392 265 HG2 GLU 38 1HG GLU 38 26.677 11.237 15.684 266 HG3 GLU 38 2HG GLU 38 25.922 12.057 14.319 267 H SER 39 H SER 39 23.329 8.336 13.544 268 HA SER 39 HA SER 39 24.320 5.708 12.650 269 HB2 SER 39 1HB SER 39 21.976 5.087 12.261 270 HB3 SER 39 2HB SER 39 22.223 5.576 13.937 271 HG SER 39 HG SER 39 21.138 7.176 11.856 272 H ASP 40 H ASP 40 23.718 5.085 10.442 273 HA ASP 40 HA ASP 40 23.770 7.419 8.651 274 HB2 ASP 40 1HB ASP 40 24.962 6.099 7.065 275 HB3 ASP 40 2HB ASP 40 25.729 5.817 8.625 276 H THR 41 H THR 41 22.194 7.715 7.195 277 HA THR 41 HA THR 41 20.367 5.500 6.597 278 HB THR 41 HB THR 41 19.396 8.267 7.335 279 HG1 THR 41 1HG THR 41 19.567 5.850 8.808 280 HG21 THR 41 3HG2 THR 41 17.480 7.652 6.384 281 HG22 THR 41 1HG2 THR 41 17.382 6.275 7.481 282 HG23 THR 41 2HG2 THR 41 18.189 6.105 5.922 283 H GLU 42 H GLU 42 20.546 5.252 4.467 284 HA GLU 42 HA GLU 42 21.119 7.513 2.745 285 HB2 GLU 42 1HB GLU 42 22.309 5.491 2.257 286 HB3 GLU 42 2HB GLU 42 20.821 4.557 2.215 287 HG2 GLU 42 1HG GLU 42 20.115 5.760 0.214 288 HG3 GLU 42 2HG GLU 42 21.603 6.704 0.256 289 H GLU 43 H GLU 43 19.695 8.568 1.504 290 HA GLU 43 HA GLU 43 16.888 7.897 1.754 291 HB2 GLU 43 1HB GLU 43 16.520 10.023 0.540 292 HB3 GLU 43 2HB GLU 43 17.516 10.223 1.975 293 HG2 GLU 43 1HG GLU 43 18.894 9.776 -0.611 294 HG3 GLU 43 2HG GLU 43 18.132 11.341 -0.338 295 H ARG 44 H ARG 44 15.647 6.962 0.247 296 HA ARG 44 HA ARG 44 16.906 6.296 -2.324 297 HB2 ARG 44 1HB ARG 44 14.483 4.988 -1.087 298 HB3 ARG 44 2HB ARG 44 15.435 4.407 -2.447 299 HG2 ARG 44 1HG ARG 44 16.277 3.077 -0.815 300 HG3 ARG 44 2HG ARG 44 17.368 4.454 -0.642 301 HD2 ARG 44 1HD ARG 44 16.532 3.696 1.527 302 HD3 ARG 44 2HD ARG 44 15.992 5.335 1.164 303 HE ARG 44 HE ARG 44 13.998 3.616 0.293 304 HH11 ARG 44 2HH1 ARG 44 15.531 4.488 3.295 305 HH12 ARG 44 1HH1 ARG 44 14.125 4.167 4.257 306 HH21 ARG 44 2HH2 ARG 44 12.142 3.190 1.548 307 HH22 ARG 44 1HH2 ARG 44 12.199 3.428 3.262 308 H GLY 45 H GLY 45 16.314 8.571 -2.931 309 HA2 GLY 45 1HA GLY 45 15.064 9.861 -4.378 310 HA3 GLY 45 2HA GLY 45 13.945 8.515 -4.536 311 H PHE 46 H PHE 46 14.469 9.311 -1.308 312 HA PHE 46 HA PHE 46 11.823 10.524 -1.154 313 HB2 PHE 46 1HB PHE 46 12.108 8.763 0.404 314 HB3 PHE 46 2HB PHE 46 13.691 9.353 0.900 315 HD1 PHE 46 2HD PHE 46 13.899 11.227 2.428 316 HD2 PHE 46 1HD PHE 46 10.085 9.730 1.274 317 HE1 PHE 46 2HE PHE 46 12.858 12.454 4.289 318 HE2 PHE 46 1HE PHE 46 9.038 10.956 3.133 319 HZ PHE 46 HZ PHE 46 10.425 12.319 4.644 320 H LEU 47 H LEU 47 14.821 11.145 0.666 321 HA LEU 47 HA LEU 47 14.281 13.719 1.443 322 HB2 LEU 47 1HB LEU 47 16.848 12.306 0.832 323 HB3 LEU 47 2HB LEU 47 16.852 14.000 1.319 324 HG LEU 47 HG LEU 47 15.755 11.713 2.954 325 HD11 LEU 47 1HD1 LEU 47 17.892 12.988 4.247 326 HD12 LEU 47 2HD1 LEU 47 18.425 12.687 2.593 327 HD13 LEU 47 3HD1 LEU 47 17.847 11.352 3.589 328 HD21 LEU 47 3HD2 LEU 47 14.537 13.604 3.584 329 HD22 LEU 47 1HD2 LEU 47 15.927 14.674 3.401 330 HD23 LEU 47 2HD2 LEU 47 15.861 13.539 4.749 331 H GLU 48 H GLU 48 15.947 12.696 -1.528 332 HA GLU 48 HA GLU 48 16.533 15.183 -2.587 333 HB2 GLU 48 1HB GLU 48 16.036 12.487 -3.740 334 HB3 GLU 48 2HB GLU 48 16.030 13.851 -4.848 335 HG2 GLU 48 1HG GLU 48 18.222 13.143 -4.921 336 HG3 GLU 48 2HG GLU 48 18.282 14.463 -3.755 337 H LYS 49 H LYS 49 13.598 13.238 -3.115 338 HA LYS 49 HA LYS 49 12.209 14.872 -4.816 339 HB2 LYS 49 1HB LYS 49 11.587 12.593 -3.625 340 HB3 LYS 49 2HB LYS 49 10.718 13.659 -2.528 341 HG2 LYS 49 1HG LYS 49 9.217 14.320 -4.139 342 HG3 LYS 49 2HG LYS 49 10.314 13.941 -5.469 343 HD2 LYS 49 1HD LYS 49 10.050 11.497 -4.719 344 HD3 LYS 49 2HD LYS 49 8.654 12.073 -3.806 345 HE2 LYS 49 1HE LYS 49 9.022 12.562 -6.754 346 HE3 LYS 49 2HE LYS 49 8.162 11.165 -6.106 347 HZ1 LYS 49 3HZ LYS 49 6.514 12.534 -5.185 348 HZ2 LYS 49 1HZ LYS 49 6.769 13.151 -6.739 349 HZ3 LYS 49 2HZ LYS 49 7.425 13.943 -5.397 350 H ALA 50 H ALA 50 12.415 15.138 -1.288 351 HA ALA 50 HA ALA 50 10.608 17.235 -0.928 352 HB1 ALA 50 1HB ALA 50 12.494 15.825 0.656 353 HB2 ALA 50 2HB ALA 50 12.730 17.553 0.927 354 HB3 ALA 50 3HB ALA 50 11.142 16.828 1.184 355 H ALA 51 H ALA 51 14.169 17.498 -1.013 356 HA ALA 51 HA ALA 51 14.386 20.237 -1.073 357 HB1 ALA 51 1HB ALA 51 16.466 19.567 -2.651 358 HB2 ALA 51 2HB ALA 51 16.457 19.366 -0.898 359 HB3 ALA 51 3HB ALA 51 16.086 17.996 -1.945 360 H VAL 52 H VAL 52 14.667 18.216 -4.002 361 HA VAL 52 HA VAL 52 14.615 20.082 -5.946 362 HB VAL 52 HB VAL 52 13.005 17.525 -6.014 363 HG11 VAL 52 1HG1 VAL 52 14.066 19.247 -8.253 364 HG12 VAL 52 2HG1 VAL 52 13.300 17.669 -8.452 365 HG13 VAL 52 3HG1 VAL 52 12.373 19.027 -7.813 366 HG21 VAL 52 3HG2 VAL 52 15.855 18.061 -6.851 367 HG22 VAL 52 1HG2 VAL 52 15.350 17.155 -5.424 368 HG23 VAL 52 2HG2 VAL 52 14.990 16.535 -7.035 369 H LYS 53 H LYS 53 11.692 18.723 -4.431 370 HA LYS 53 HA LYS 53 9.801 20.205 -5.832 371 HB2 LYS 53 1HB LYS 53 9.858 18.829 -3.191 372 HB3 LYS 53 2HB LYS 53 8.530 19.940 -3.502 373 HG2 LYS 53 1HG LYS 53 9.269 17.650 -5.309 374 HG3 LYS 53 2HG LYS 53 8.036 17.568 -4.048 375 HD2 LYS 53 1HD LYS 53 6.816 19.399 -5.144 376 HD3 LYS 53 2HD LYS 53 8.040 19.442 -6.415 377 HE2 LYS 53 1HE LYS 53 6.071 18.190 -7.128 378 HE3 LYS 53 2HE LYS 53 7.487 17.145 -7.031 379 HZ1 LYS 53 3HZ LYS 53 5.647 16.010 -6.066 380 HZ2 LYS 53 1HZ LYS 53 5.265 17.326 -5.073 381 HZ3 LYS 53 2HZ LYS 53 6.686 16.449 -4.806 382 H LYS 54 H LYS 54 11.753 21.068 -3.047 383 HA LYS 54 HA LYS 54 10.350 23.516 -2.519 384 HB2 LYS 54 1HB LYS 54 11.457 22.506 -0.670 385 HB3 LYS 54 2HB LYS 54 12.972 22.383 -1.553 386 HG2 LYS 54 1HG LYS 54 13.372 24.161 -0.153 387 HG3 LYS 54 2HG LYS 54 12.844 24.972 -1.629 388 HD2 LYS 54 1HD LYS 54 11.623 26.058 0.020 389 HD3 LYS 54 2HD LYS 54 10.485 24.843 -0.569 390 HE2 LYS 54 1HE LYS 54 10.700 23.537 1.326 391 HE3 LYS 54 2HE LYS 54 12.283 24.201 1.729 392 HZ1 LYS 54 3HZ LYS 54 11.355 26.089 2.641 393 HZ2 LYS 54 1HZ LYS 54 10.243 24.902 3.106 394 HZ3 LYS 54 2HZ LYS 54 9.894 25.923 1.804 395 H MET 55 H MET 55 13.293 22.596 -4.237 396 HA MET 55 HA MET 55 14.229 25.209 -4.745 397 HB2 MET 55 1HB MET 55 14.700 22.885 -6.593 398 HB3 MET 55 2HB MET 55 15.776 24.224 -6.218 399 HG2 MET 55 1HG MET 55 15.758 23.257 -3.823 400 HG3 MET 55 2HG MET 55 15.152 21.795 -4.598 401 HE1 MET 55 3HE MET 55 18.148 24.315 -6.101 402 HE2 MET 55 1HE MET 55 17.749 24.454 -4.388 403 HE3 MET 55 2HE MET 55 19.265 23.701 -4.882 404 H ALA 56 H ALA 56 12.129 23.031 -6.581 405 HA ALA 56 HA ALA 56 11.877 24.725 -8.847 406 HB1 ALA 56 1HB ALA 56 9.711 23.251 -9.116 407 HB2 ALA 56 2HB ALA 56 11.318 22.573 -9.380 408 HB3 ALA 56 3HB ALA 56 10.483 22.293 -7.852 409 H LYS 57 H LYS 57 9.735 24.098 -6.073 410 HA LYS 57 HA LYS 57 7.631 25.752 -6.727 411 HB2 LYS 57 1HB LYS 57 8.825 24.933 -4.100 412 HB3 LYS 57 2HB LYS 57 7.484 26.070 -4.142 413 HG2 LYS 57 1HG LYS 57 6.153 24.408 -5.386 414 HG3 LYS 57 2HG LYS 57 7.490 23.265 -5.238 415 HD2 LYS 57 1HD LYS 57 7.239 23.884 -2.671 416 HD3 LYS 57 2HD LYS 57 5.589 24.255 -3.177 417 HE2 LYS 57 1HE LYS 57 5.205 22.048 -3.899 418 HE3 LYS 57 2HE LYS 57 6.923 21.654 -3.871 419 HZ1 LYS 57 3HZ LYS 57 5.324 20.905 -1.953 420 HZ2 LYS 57 1HZ LYS 57 5.649 22.456 -1.360 421 HZ3 LYS 57 2HZ LYS 57 6.918 21.369 -1.626 422 H ALA 58 H ALA 58 10.644 26.610 -5.064 423 HA ALA 58 HA ALA 58 10.074 29.266 -4.474 424 HB1 ALA 58 1HB ALA 58 12.006 28.488 -3.483 425 HB2 ALA 58 2HB ALA 58 12.611 27.771 -4.977 426 HB3 ALA 58 3HB ALA 58 12.647 29.521 -4.760 427 H ILE 59 H ILE 59 11.266 27.812 -7.460 428 HA ILE 59 HA ILE 59 11.871 30.201 -8.822 429 HB ILE 59 HB ILE 59 11.000 27.547 -9.973 430 HG12 ILE 59 1HG1 ILE 59 13.796 28.645 -9.642 431 HG13 ILE 59 2HG1 ILE 59 13.045 27.543 -8.493 432 HG21 ILE 59 1HG2 ILE 59 12.762 29.288 -11.539 433 HG22 ILE 59 2HG2 ILE 59 11.369 28.331 -12.042 434 HG23 ILE 59 3HG2 ILE 59 11.131 29.915 -11.304 435 HD11 ILE 59 3HD1 ILE 59 12.780 25.905 -10.340 436 HD12 ILE 59 1HD1 ILE 59 13.703 26.996 -11.374 437 HD13 ILE 59 2HD1 ILE 59 14.456 26.287 -9.945 438 H MET 60 H MET 60 8.924 28.219 -8.757 439 HA MET 60 HA MET 60 7.340 29.367 -10.610 440 HB2 MET 60 1HB MET 60 6.494 28.733 -7.777 441 HB3 MET 60 2HB MET 60 5.409 28.918 -9.149 442 HG2 MET 60 1HG MET 60 6.806 27.027 -10.212 443 HG3 MET 60 2HG MET 60 7.350 26.726 -8.564 444 HE1 MET 60 3HE MET 60 4.004 24.843 -10.508 445 HE2 MET 60 1HE MET 60 3.894 26.561 -10.893 446 HE3 MET 60 2HE MET 60 5.410 25.697 -11.145 447 H ALA 61 H ALA 61 7.716 30.645 -7.302 448 HA ALA 61 HA ALA 61 6.252 33.034 -7.889 449 HB1 ALA 61 1HB ALA 61 7.996 32.303 -5.541 450 HB2 ALA 61 2HB ALA 61 7.001 33.756 -5.642 451 HB3 ALA 61 3HB ALA 61 6.241 32.164 -5.643 452 H ASP 62 H ASP 62 9.610 32.734 -6.732 453 HA ASP 62 HA ASP 62 10.285 35.190 -8.150 454 HB2 ASP 62 1HB ASP 62 12.161 33.587 -6.425 455 HB3 ASP 62 2HB ASP 62 12.212 35.308 -6.795 456 HA PRO 63 HA PRO 63 11.936 32.812 -11.531 457 HB2 PRO 63 1HB PRO 63 12.866 34.938 -12.940 458 HB3 PRO 63 2HB PRO 63 11.156 34.494 -12.889 459 HG2 PRO 63 1HG PRO 63 12.614 36.600 -11.338 460 HG3 PRO 63 2HG PRO 63 11.028 36.688 -12.128 461 HD2 PRO 63 1HD PRO 63 11.310 36.295 -9.463 462 HD3 PRO 63 2HD PRO 63 9.965 35.604 -10.394 463 H ASN 64 H ASN 64 13.792 35.460 -10.044 464 HA ASN 64 HA ASN 64 16.314 34.910 -10.956 465 HB2 ASN 64 1HB ASN 64 15.551 35.754 -8.151 466 HB3 ASN 64 2HB ASN 64 17.157 35.907 -8.858 467 HD21 ASN 64 1HD2 ASN 64 15.292 37.933 -7.827 468 HD22 ASN 64 2HD2 ASN 64 15.063 39.053 -9.122 469 H LYS 65 H LYS 65 14.429 33.108 -8.658 470 HA LYS 65 HA LYS 65 16.496 31.615 -7.460 471 HB2 LYS 65 1HB LYS 65 13.545 31.285 -7.767 472 HB3 LYS 65 2HB LYS 65 14.487 29.900 -7.231 473 HG2 LYS 65 1HG LYS 65 14.646 32.582 -5.888 474 HG3 LYS 65 2HG LYS 65 13.474 31.345 -5.426 475 HD2 LYS 65 1HD LYS 65 15.145 29.868 -4.708 476 HD3 LYS 65 2HD LYS 65 16.412 30.744 -5.571 477 HE2 LYS 65 1HE LYS 65 16.645 31.217 -3.240 478 HE3 LYS 65 2HE LYS 65 16.029 32.668 -4.030 479 HZ1 LYS 65 3HZ LYS 65 13.744 31.641 -3.345 480 HZ2 LYS 65 1HZ LYS 65 14.653 32.534 -2.232 481 HZ3 LYS 65 2HZ LYS 65 14.674 30.844 -2.177 482 H ALA 66 H ALA 66 14.664 31.175 -10.428 483 HA ALA 66 HA ALA 66 15.201 28.578 -11.099 484 HB1 ALA 66 1HB ALA 66 15.556 30.567 -13.265 485 HB2 ALA 66 2HB ALA 66 14.555 29.115 -13.209 486 HB3 ALA 66 3HB ALA 66 14.024 30.585 -12.391 487 H ASP 67 H ASP 67 17.231 31.335 -12.115 488 HA ASP 67 HA ASP 67 19.317 29.998 -13.251 489 HB2 ASP 67 1HB ASP 67 18.949 32.542 -12.897 490 HB3 ASP 67 2HB ASP 67 19.867 32.310 -11.411 491 H GLU 68 H GLU 68 19.150 30.910 -9.805 492 HA GLU 68 HA GLU 68 21.483 29.682 -8.961 493 HB2 GLU 68 1HB GLU 68 20.288 31.153 -7.486 494 HB3 GLU 68 2HB GLU 68 18.875 30.106 -7.501 495 HG2 GLU 68 1HG GLU 68 19.899 29.707 -5.445 496 HG3 GLU 68 2HG GLU 68 20.362 28.337 -6.452 497 H VAL 69 H VAL 69 18.196 28.320 -8.659 498 HA VAL 69 HA VAL 69 18.808 25.811 -7.765 499 HB VAL 69 HB VAL 69 16.658 26.625 -9.719 500 HG11 VAL 69 1HG1 VAL 69 16.211 24.481 -10.075 501 HG12 VAL 69 2HG1 VAL 69 17.514 23.992 -8.990 502 HG13 VAL 69 3HG1 VAL 69 15.897 24.289 -8.351 503 HG21 VAL 69 3HG2 VAL 69 15.338 26.083 -7.491 504 HG22 VAL 69 1HG2 VAL 69 16.896 26.468 -6.761 505 HG23 VAL 69 2HG2 VAL 69 16.075 27.661 -7.767 506 H TYR 70 H TYR 70 18.224 26.522 -11.214 507 HA TYR 70 HA TYR 70 18.891 24.249 -12.431 508 HB2 TYR 70 1HB TYR 70 19.847 27.008 -13.212 509 HB3 TYR 70 2HB TYR 70 19.949 25.603 -14.267 510 HD1 TYR 70 1HD TYR 70 17.429 24.261 -13.967 511 HD2 TYR 70 2HD TYR 70 18.229 28.440 -14.026 512 HE1 TYR 70 1HE TYR 70 15.137 24.683 -14.755 513 HE2 TYR 70 2HE TYR 70 15.939 28.873 -14.813 514 HH TYR 70 HH TYR 70 13.998 26.643 -16.137 515 H LYS 71 H LYS 71 21.356 26.628 -11.444 516 HA LYS 71 HA LYS 71 23.575 25.027 -12.118 517 HB2 LYS 71 1HB LYS 71 23.131 27.480 -10.493 518 HB3 LYS 71 2HB LYS 71 24.637 26.607 -10.243 519 HG2 LYS 71 1HG LYS 71 25.085 28.263 -11.857 520 HG3 LYS 71 2HG LYS 71 24.992 26.734 -12.733 521 HD2 LYS 71 1HD LYS 71 22.792 27.237 -13.519 522 HD3 LYS 71 2HD LYS 71 22.680 28.650 -12.467 523 HE2 LYS 71 1HE LYS 71 24.052 29.918 -13.798 524 HE3 LYS 71 2HE LYS 71 24.907 28.515 -14.438 525 HZ1 LYS 71 3HZ LYS 71 22.160 29.383 -15.159 526 HZ2 LYS 71 1HZ LYS 71 22.899 27.966 -15.716 527 HZ3 LYS 71 2HZ LYS 71 23.535 29.474 -16.140 528 H LYS 72 H LYS 72 21.966 25.600 -8.998 529 HA LYS 72 HA LYS 72 23.573 24.084 -7.351 530 HB2 LYS 72 1HB LYS 72 20.601 24.577 -7.301 531 HB3 LYS 72 2HB LYS 72 21.415 23.666 -6.036 532 HG2 LYS 72 1HG LYS 72 22.966 25.776 -5.943 533 HG3 LYS 72 2HG LYS 72 21.575 26.564 -6.690 534 HD2 LYS 72 1HD LYS 72 20.179 26.063 -4.860 535 HD3 LYS 72 2HD LYS 72 21.319 24.883 -4.211 536 HE2 LYS 72 1HE LYS 72 21.954 27.814 -4.456 537 HE3 LYS 72 2HE LYS 72 21.212 27.113 -3.019 538 HZ1 LYS 72 3HZ LYS 72 23.939 27.082 -3.833 539 HZ2 LYS 72 1HZ LYS 72 23.371 25.511 -3.563 540 HZ3 LYS 72 2HZ LYS 72 23.263 26.672 -2.338 541 H TRP 73 H TRP 73 20.633 22.950 -9.025 542 HA TRP 73 HA TRP 73 20.701 20.301 -8.299 543 HB2 TRP 73 1HB TRP 73 19.752 21.689 -10.785 544 HB3 TRP 73 2HB TRP 73 19.680 19.933 -10.670 545 HD1 TRP 73 HD TRP 73 18.910 20.123 -7.421 546 HE1 TRP 73 1HE TRP 73 16.449 20.626 -6.859 547 HE3 TRP 73 3HE TRP 73 17.450 22.126 -11.892 548 HZ2 TRP 73 2HZ TRP 73 14.188 21.725 -8.142 549 HZ3 TRP 73 3HZ TRP 73 15.121 22.879 -12.143 550 HH2 TRP 73 HH TRP 73 13.525 22.681 -10.306 551 H ALA 74 H ALA 74 21.973 21.516 -11.406 552 HA ALA 74 HA ALA 74 23.232 19.307 -12.341 553 HB1 ALA 74 1HB ALA 74 24.019 20.713 -13.872 554 HB2 ALA 74 2HB ALA 74 23.304 22.024 -12.933 555 HB3 ALA 74 3HB ALA 74 24.990 21.574 -12.676 556 H ASP 75 H ASP 75 24.460 21.501 -9.857 557 HA ASP 75 HA ASP 75 27.014 20.313 -9.608 558 HB2 ASP 75 1HB ASP 75 26.055 22.592 -8.695 559 HB3 ASP 75 2HB ASP 75 25.679 21.623 -7.274 560 H LYS 76 H LYS 76 24.040 19.926 -7.692 561 HA LYS 76 HA LYS 76 24.919 18.106 -5.824 562 HB2 LYS 76 1HB LYS 76 22.219 18.104 -7.186 563 HB3 LYS 76 2HB LYS 76 22.595 17.361 -5.637 564 HG2 LYS 76 1HG LYS 76 23.130 20.265 -5.979 565 HG3 LYS 76 2HG LYS 76 21.460 19.726 -5.786 566 HD2 LYS 76 1HD LYS 76 21.998 18.661 -3.690 567 HD3 LYS 76 2HD LYS 76 23.712 19.026 -3.903 568 HE2 LYS 76 1HE LYS 76 22.869 21.494 -4.050 569 HE3 LYS 76 2HE LYS 76 21.448 20.855 -3.225 570 HZ1 LYS 76 3HZ LYS 76 24.229 21.007 -2.263 571 HZ2 LYS 76 1HZ LYS 76 23.163 19.866 -1.610 572 HZ3 LYS 76 2HZ LYS 76 22.808 21.516 -1.499 573 H GLY 77 H GLY 77 23.604 17.408 -9.058 574 HA2 GLY 77 1HA GLY 77 24.844 15.649 -10.305 575 HA3 GLY 77 2HA GLY 77 24.780 14.706 -8.823 576 H TYR 78 H TYR 78 22.241 16.623 -10.394 577 HA TYR 78 HA TYR 78 20.503 14.277 -10.300 578 HB2 TYR 78 1HB TYR 78 19.925 17.200 -10.804 579 HB3 TYR 78 2HB TYR 78 18.703 15.935 -10.871 580 HD1 TYR 78 1HD TYR 78 18.607 14.404 -8.702 581 HD2 TYR 78 2HD TYR 78 20.188 18.352 -8.821 582 HE1 TYR 78 1HE TYR 78 18.250 14.613 -6.278 583 HE2 TYR 78 2HE TYR 78 19.837 18.572 -6.397 584 HH TYR 78 HH TYR 78 19.539 17.239 -4.451 585 H THR 79 H THR 79 19.062 13.860 -12.154 586 HA THR 79 HA THR 79 20.052 14.738 -14.750 587 HB THR 79 HB THR 79 20.109 12.368 -15.586 588 HG1 THR 79 1HG THR 79 20.149 10.718 -14.105 589 HG21 THR 79 3HG2 THR 79 22.078 13.362 -13.546 590 HG22 THR 79 1HG2 THR 79 22.215 13.362 -15.304 591 HG23 THR 79 2HG2 THR 79 22.333 11.846 -14.410 592 H LEU 80 H LEU 80 18.588 14.341 -16.481 593 HA LEU 80 HA LEU 80 15.998 14.907 -16.165 594 HB2 LEU 80 1HB LEU 80 16.935 12.825 -18.130 595 HB3 LEU 80 2HB LEU 80 15.510 13.851 -18.275 596 HG LEU 80 HG LEU 80 18.349 14.869 -18.293 597 HD11 LEU 80 1HD1 LEU 80 17.621 15.295 -20.773 598 HD12 LEU 80 2HD1 LEU 80 16.547 13.930 -20.471 599 HD13 LEU 80 3HD1 LEU 80 18.290 13.738 -20.286 600 HD21 LEU 80 3HD2 LEU 80 15.665 16.118 -18.435 601 HD22 LEU 80 1HD2 LEU 80 16.923 16.773 -19.484 602 HD23 LEU 80 2HD2 LEU 80 17.167 16.728 -17.737 603 H THR 81 H THR 81 17.327 11.627 -15.976 604 HA THR 81 HA THR 81 14.944 10.223 -15.645 605 HB THR 81 HB THR 81 17.566 9.535 -14.309 606 HG1 THR 81 1HG THR 81 18.173 8.632 -16.229 607 HG21 THR 81 3HG2 THR 81 15.024 8.104 -14.821 608 HG22 THR 81 1HG2 THR 81 16.181 7.921 -13.503 609 HG23 THR 81 2HG2 THR 81 16.512 7.192 -15.075 610 H GLN 82 H GLN 82 17.169 11.345 -13.088 611 HA GLN 82 HA GLN 82 15.364 10.713 -10.983 612 HB2 GLN 82 1HB GLN 82 17.785 12.523 -10.999 613 HB3 GLN 82 2HB GLN 82 16.940 11.979 -9.556 614 HG2 GLN 82 1HG GLN 82 18.478 10.296 -11.517 615 HG3 GLN 82 2HG GLN 82 18.893 10.643 -9.839 616 HE21 GLN 82 1HE2 GLN 82 17.771 8.319 -11.788 617 HE22 GLN 82 2HE2 GLN 82 16.811 7.411 -10.675 618 H MET 83 H MET 83 16.516 13.878 -12.171 619 HA MET 83 HA MET 83 15.046 15.626 -10.785 620 HB2 MET 83 1HB MET 83 16.515 16.310 -12.605 621 HB3 MET 83 2HB MET 83 15.386 15.665 -13.788 622 HG2 MET 83 1HG MET 83 15.310 18.130 -13.540 623 HG3 MET 83 2HG MET 83 13.766 17.326 -13.264 624 HE1 MET 83 3HE MET 83 16.881 17.609 -10.791 625 HE2 MET 83 1HE MET 83 16.820 19.120 -11.699 626 HE3 MET 83 2HE MET 83 16.456 19.114 -9.973 627 H SER 84 H SER 84 13.766 14.285 -13.836 628 HA SER 84 HA SER 84 11.185 15.205 -13.634 629 HB2 SER 84 1HB SER 84 12.379 13.822 -15.511 630 HB3 SER 84 2HB SER 84 11.671 12.436 -14.682 631 HG SER 84 HG SER 84 9.965 12.918 -15.808 632 H ASN 85 H ASN 85 12.355 12.016 -12.547 633 HA ASN 85 HA ASN 85 10.075 10.975 -11.474 634 HB2 ASN 85 1HB ASN 85 12.944 10.783 -10.602 635 HB3 ASN 85 2HB ASN 85 11.680 9.958 -9.696 636 HD21 ASN 85 1HD2 ASN 85 13.593 8.446 -10.756 637 HD22 ASN 85 2HD2 ASN 85 13.011 7.566 -12.124 638 H PHE 86 H PHE 86 12.125 13.472 -10.102 639 HA PHE 86 HA PHE 86 10.784 13.516 -7.567 640 HB2 PHE 86 1HB PHE 86 12.671 15.495 -8.859 641 HB3 PHE 86 2HB PHE 86 12.092 15.605 -7.200 642 HD1 PHE 86 1HD PHE 86 12.273 12.932 -6.182 643 HD2 PHE 86 2HD PHE 86 14.908 14.979 -8.825 644 HE1 PHE 86 1HE PHE 86 14.128 11.496 -5.439 645 HE2 PHE 86 2HE PHE 86 16.766 13.546 -8.087 646 HZ PHE 86 HZ PHE 86 16.378 11.801 -6.393 647 H LEU 87 H LEU 87 10.743 15.559 -10.469 648 HA LEU 87 HA LEU 87 8.571 17.158 -9.388 649 HB2 LEU 87 1HB LEU 87 9.963 17.282 -12.060 650 HB3 LEU 87 2HB LEU 87 8.780 18.445 -11.464 651 HG LEU 87 HG LEU 87 11.485 17.936 -10.228 652 HD11 LEU 87 1HD1 LEU 87 11.399 20.526 -11.175 653 HD12 LEU 87 2HD1 LEU 87 10.643 19.587 -12.461 654 HD13 LEU 87 3HD1 LEU 87 12.265 19.174 -11.906 655 HD21 LEU 87 3HD2 LEU 87 9.386 20.029 -9.668 656 HD22 LEU 87 1HD2 LEU 87 10.998 19.974 -8.954 657 HD23 LEU 87 2HD2 LEU 87 9.837 18.691 -8.610 658 H LYS 88 H LYS 88 8.266 14.266 -10.083 659 HA LYS 88 HA LYS 88 6.517 14.230 -12.379 660 HB2 LYS 88 1HB LYS 88 8.057 12.327 -11.401 661 HB3 LYS 88 2HB LYS 88 6.650 11.989 -10.401 662 HG2 LYS 88 1HG LYS 88 6.419 10.572 -12.235 663 HG3 LYS 88 2HG LYS 88 5.331 11.917 -12.585 664 HD2 LYS 88 1HD LYS 88 6.394 11.759 -14.600 665 HD3 LYS 88 2HD LYS 88 7.492 12.874 -13.782 666 HE2 LYS 88 1HE LYS 88 9.126 11.292 -13.527 667 HE3 LYS 88 2HE LYS 88 7.979 9.954 -13.494 668 HZ1 LYS 88 3HZ LYS 88 9.363 10.051 -15.528 669 HZ2 LYS 88 1HZ LYS 88 8.627 11.520 -15.930 670 HZ3 LYS 88 2HZ LYS 88 7.702 10.107 -15.843 671 H SER 89 H SER 89 5.542 16.097 -10.673 672 HA SER 89 HA SER 89 3.686 15.218 -8.764 673 HB2 SER 89 1HB SER 89 2.699 17.447 -8.944 674 HB3 SER 89 2HB SER 89 4.459 17.561 -8.958 675 HG SER 89 HG SER 89 2.753 18.466 -10.768 676 H LYS 90 H LYS 90 3.412 15.693 -12.240 677 HA LYS 90 HA LYS 90 1.858 15.012 -13.755 678 HB2 LYS 90 1HB LYS 90 2.110 12.861 -12.427 679 HB3 LYS 90 2HB LYS 90 0.656 13.331 -11.556 680 HG2 LYS 90 1HG LYS 90 -0.305 13.559 -14.008 681 HG3 LYS 90 2HG LYS 90 0.979 12.399 -14.353 682 HD2 LYS 90 1HD LYS 90 -0.871 11.938 -12.049 683 HD3 LYS 90 2HD LYS 90 -1.393 11.549 -13.690 684 HE2 LYS 90 1HE LYS 90 1.266 10.576 -12.772 685 HE3 LYS 90 2HE LYS 90 -0.178 9.767 -12.166 686 HZ1 LYS 90 3HZ LYS 90 -0.139 8.606 -14.041 687 HZ2 LYS 90 1HZ LYS 90 1.039 9.601 -14.739 688 HZ3 LYS 90 2HZ LYS 90 -0.597 10.014 -14.859 689 H THR 91 H THR 91 1.378 17.405 -12.459 690 HA THR 91 HA THR 91 -1.557 17.399 -12.172 691 HB THR 91 HB THR 91 0.527 19.068 -10.786 692 HG1 THR 91 1HG THR 91 -1.791 17.936 -9.641 693 HG21 THR 91 3HG2 THR 91 -0.840 20.830 -11.266 694 HG22 THR 91 1HG2 THR 91 -1.715 20.191 -9.875 695 HG23 THR 91 2HG2 THR 91 -2.255 19.807 -11.510 696 H ALA 92 H ALA 92 -1.970 17.748 -14.360 697 HA ALA 92 HA ALA 92 -1.948 18.854 -16.392 698 HB1 ALA 92 1HB ALA 92 -3.032 21.007 -16.214 699 HB2 ALA 92 2HB ALA 92 -3.729 19.892 -15.038 700 HB3 ALA 92 3HB ALA 92 -2.583 21.125 -14.513 701 H GLY 93 H GLY 93 0.703 18.699 -15.250 702 HA2 GLY 93 1HA GLY 93 2.788 19.505 -15.797 703 HA3 GLY 93 2HA GLY 93 1.998 20.629 -16.894 704 H LYS 94 H LYS 94 2.415 20.110 -13.392 705 HA LYS 94 HA LYS 94 2.066 22.872 -12.769 706 HB2 LYS 94 1HB LYS 94 1.648 20.903 -11.220 707 HB3 LYS 94 2HB LYS 94 3.393 20.793 -11.030 708 HG2 LYS 94 1HG LYS 94 3.518 22.865 -9.941 709 HG3 LYS 94 2HG LYS 94 1.897 23.330 -10.462 710 HD2 LYS 94 1HD LYS 94 0.883 21.768 -8.985 711 HD3 LYS 94 2HD LYS 94 2.432 20.995 -8.636 712 HE2 LYS 94 1HE LYS 94 3.198 22.908 -7.435 713 HE3 LYS 94 2HE LYS 94 1.818 23.867 -7.967 714 HZ1 LYS 94 3HZ LYS 94 1.899 21.695 -5.975 715 HZ2 LYS 94 1HZ LYS 94 0.450 22.081 -6.759 716 HZ3 LYS 94 2HZ LYS 94 1.246 23.249 -5.830 717 H TYR 95 H TYR 95 4.931 20.751 -12.583 718 HA TYR 95 HA TYR 95 6.622 23.148 -12.717 719 HB2 TYR 95 1HB TYR 95 7.424 20.335 -11.952 720 HB3 TYR 95 2HB TYR 95 8.400 21.791 -11.791 721 HD1 TYR 95 1HD TYR 95 7.819 23.487 -10.082 722 HD2 TYR 95 2HD TYR 95 5.772 19.765 -10.322 723 HE1 TYR 95 1HE TYR 95 6.946 23.827 -7.807 724 HE2 TYR 95 2HE TYR 95 4.893 20.095 -8.049 725 HH TYR 95 HH TYR 95 4.744 21.475 -6.315 726 H ASP 96 H ASP 96 5.435 22.401 -15.090 727 HA ASP 96 HA ASP 96 7.130 20.700 -16.642 728 HB2 ASP 96 1HB ASP 96 4.938 20.811 -17.448 729 HB3 ASP 96 2HB ASP 96 4.862 22.563 -17.275 730 H ARG 97 H ARG 97 6.737 24.209 -16.327 731 HA ARG 97 HA ARG 97 8.646 24.905 -18.292 732 HB2 ARG 97 1HB ARG 97 7.594 26.440 -15.912 733 HB3 ARG 97 2HB ARG 97 8.632 27.137 -17.149 734 HG2 ARG 97 1HG ARG 97 6.038 25.824 -17.864 735 HG3 ARG 97 2HG ARG 97 6.104 27.504 -17.327 736 HD2 ARG 97 1HD ARG 97 7.374 28.167 -19.172 737 HD3 ARG 97 2HD ARG 97 7.864 26.514 -19.542 738 HE ARG 97 HE ARG 97 5.987 26.308 -20.816 739 HH11 ARG 97 2HH1 ARG 97 5.512 28.916 -18.558 740 HH12 ARG 97 1HH1 ARG 97 3.981 29.383 -19.220 741 HH21 ARG 97 2HH2 ARG 97 3.972 26.914 -21.695 742 HH22 ARG 97 1HH2 ARG 97 3.105 28.244 -21.004 743 H VAL 98 H VAL 98 8.865 24.543 -14.771 744 HA VAL 98 HA VAL 98 11.528 25.361 -14.472 745 HB VAL 98 HB VAL 98 10.039 23.318 -12.816 746 HG11 VAL 98 1HG1 VAL 98 12.198 23.086 -12.081 747 HG12 VAL 98 2HG1 VAL 98 12.630 24.749 -12.484 748 HG13 VAL 98 3HG1 VAL 98 11.654 24.412 -11.054 749 HG21 VAL 98 3HG2 VAL 98 8.834 24.968 -11.933 750 HG22 VAL 98 1HG2 VAL 98 10.273 25.952 -11.664 751 HG23 VAL 98 2HG2 VAL 98 9.439 26.013 -13.218 752 H TYR 99 H TYR 99 10.133 22.198 -15.199 753 HA TYR 99 HA TYR 99 12.565 20.749 -15.024 754 HB2 TYR 99 1HB TYR 99 10.350 19.673 -14.885 755 HB3 TYR 99 2HB TYR 99 10.050 20.082 -16.571 756 HD1 TYR 99 1HD TYR 99 12.151 18.034 -14.319 757 HD2 TYR 99 2HD TYR 99 10.920 18.745 -18.329 758 HE1 TYR 99 1HE TYR 99 13.205 15.922 -15.011 759 HE2 TYR 99 2HE TYR 99 11.969 16.635 -19.032 760 HH TYR 99 HH TYR 99 13.733 15.112 -18.266 761 H ASN 100 H ASN 100 10.729 21.994 -17.810 762 HA ASN 100 HA ASN 100 12.286 21.157 -19.887 763 HB2 ASN 100 1HB ASN 100 10.935 23.840 -19.538 764 HB3 ASN 100 2HB ASN 100 11.591 23.261 -21.067 765 HD21 ASN 100 1HD2 ASN 100 8.867 23.953 -20.431 766 HD22 ASN 100 2HD2 ASN 100 7.918 22.536 -20.706 767 H GLY 101 H GLY 101 12.782 24.142 -18.003 768 HA2 GLY 101 1HA GLY 101 15.014 25.133 -19.284 769 HA3 GLY 101 2HA GLY 101 14.698 25.334 -17.567 770 H TYR 102 H TYR 102 14.989 22.863 -16.539 771 HA TYR 102 HA TYR 102 17.725 22.566 -16.237 772 HB2 TYR 102 1HB TYR 102 15.990 21.645 -14.703 773 HB3 TYR 102 2HB TYR 102 15.657 20.387 -15.888 774 HD1 TYR 102 1HD TYR 102 18.798 21.836 -14.460 775 HD2 TYR 102 2HD TYR 102 16.469 18.350 -15.185 776 HE1 TYR 102 1HE TYR 102 20.578 20.450 -13.479 777 HE2 TYR 102 2HE TYR 102 18.241 16.955 -14.205 778 HH TYR 102 HH TYR 102 21.292 18.378 -13.085 779 H VAL 103 H VAL 103 15.520 20.693 -18.303 780 HA VAL 103 HA VAL 103 17.218 18.814 -19.335 781 HB VAL 103 HB VAL 103 15.129 20.351 -20.886 782 HG11 VAL 103 1HG1 VAL 103 16.454 19.205 -22.466 783 HG12 VAL 103 2HG1 VAL 103 16.570 17.771 -21.444 784 HG13 VAL 103 3HG1 VAL 103 15.036 18.190 -22.208 785 HG21 VAL 103 3HG2 VAL 103 13.810 19.428 -19.298 786 HG22 VAL 103 1HG2 VAL 103 13.983 17.989 -20.303 787 HG23 VAL 103 2HG2 VAL 103 14.997 18.194 -18.875 788 H ILE 104 H ILE 104 16.647 22.040 -20.749 789 HA ILE 104 HA ILE 104 18.579 21.860 -22.762 790 HB ILE 104 HB ILE 104 17.610 24.342 -21.339 791 HG12 ILE 104 1HG1 ILE 104 16.663 23.317 -24.005 792 HG13 ILE 104 2HG1 ILE 104 15.925 22.764 -22.505 793 HG21 ILE 104 1HG2 ILE 104 18.437 25.608 -23.153 794 HG22 ILE 104 2HG2 ILE 104 19.747 24.530 -22.678 795 HG23 ILE 104 3HG2 ILE 104 18.778 24.163 -24.104 796 HD11 ILE 104 3HD1 ILE 104 14.565 24.503 -22.699 797 HD12 ILE 104 1HD1 ILE 104 15.941 25.508 -22.247 798 HD13 ILE 104 2HD1 ILE 104 15.564 25.243 -23.950 799 H HIS 105 H HIS 105 18.826 22.914 -19.409 800 HA HIS 105 HA HIS 105 21.403 24.008 -19.501 801 HB2 HIS 105 1HB HIS 105 19.907 24.312 -17.586 802 HB3 HIS 105 2HB HIS 105 20.019 22.595 -17.210 803 HD1 HIS 105 1HD HIS 105 22.037 25.767 -17.117 804 HD2 HIS 105 2HD HIS 105 22.271 21.837 -15.788 805 HE1 HIS 105 1HE HIS 105 23.997 25.705 -15.543 806 HE2 HIS 105 2HE HIS 105 24.171 23.299 -14.817 807 H LEU 106 H LEU 106 20.297 20.690 -19.177 808 HA LEU 106 HA LEU 106 23.006 19.714 -18.768 809 HB2 LEU 106 1HB LEU 106 20.279 18.528 -18.689 810 HB3 LEU 106 2HB LEU 106 21.646 17.461 -19.004 811 HG LEU 106 HG LEU 106 21.179 19.141 -16.544 812 HD11 LEU 106 1HD1 LEU 106 21.373 16.153 -16.885 813 HD12 LEU 106 2HD1 LEU 106 19.864 17.054 -16.740 814 HD13 LEU 106 3HD1 LEU 106 21.010 17.032 -15.400 815 HD21 LEU 106 3HD2 LEU 106 23.486 19.242 -16.784 816 HD22 LEU 106 1HD2 LEU 106 23.583 17.632 -17.499 817 HD23 LEU 106 2HD2 LEU 106 23.257 17.813 -15.775 818 H ASP 107 H ASP 107 20.765 20.207 -21.327 819 HA ASP 107 HA ASP 107 21.524 18.273 -23.173 820 HB2 ASP 107 1HB ASP 107 20.357 21.008 -23.361 821 HB3 ASP 107 2HB ASP 107 20.982 20.281 -24.839 822 H TYR 108 H TYR 108 23.232 21.051 -22.044 823 HA TYR 108 HA TYR 108 24.922 21.723 -24.081 824 HB2 TYR 108 1HB TYR 108 26.394 22.590 -22.470 825 HB3 TYR 108 2HB TYR 108 24.825 22.624 -21.673 826 HD1 TYR 108 1HD TYR 108 24.273 20.410 -20.296 827 HD2 TYR 108 2HD TYR 108 28.186 21.760 -21.280 828 HE1 TYR 108 1HE TYR 108 25.189 19.099 -18.427 829 HE2 TYR 108 2HE TYR 108 29.113 20.451 -19.415 830 HH TYR 108 HH TYR 108 27.003 18.583 -17.254 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -11.261 -18.405 71.119 2 HA2 GLY 1 1HA GLY 1 -9.485 -17.122 70.428 3 HA3 GLY 1 2HA GLY 1 -10.059 -17.353 68.783 4 H SER 2 H SER 2 -9.743 -15.180 71.377 5 HA SER 2 HA SER 2 -11.790 -13.338 70.736 6 HB2 SER 2 1HB SER 2 -10.865 -13.089 72.883 7 HB3 SER 2 2HB SER 2 -9.210 -13.128 72.273 8 HG SER 2 HG SER 2 -10.941 -11.073 71.459 9 H SER 3 H SER 3 -8.279 -13.100 70.135 10 HA SER 3 HA SER 3 -8.539 -12.294 67.450 11 HB2 SER 3 1HB SER 3 -7.807 -9.897 67.751 12 HB3 SER 3 2HB SER 3 -9.463 -10.232 68.256 13 HG SER 3 HG SER 3 -8.894 -10.024 70.331 14 H GLY 4 H GLY 4 -6.386 -11.098 66.750 15 HA2 GLY 4 1HA GLY 4 -4.159 -12.285 68.284 16 HA3 GLY 4 2HA GLY 4 -4.256 -12.446 66.536 17 H SER 5 H SER 5 -2.428 -11.353 65.981 18 HA SER 5 HA SER 5 -2.543 -8.543 65.822 19 HB2 SER 5 1HB SER 5 -0.533 -8.057 67.273 20 HB3 SER 5 2HB SER 5 -1.998 -8.484 68.156 21 HG SER 5 HG SER 5 -0.572 -9.791 69.073 22 H SER 6 H SER 6 -0.941 -7.691 64.488 23 HA SER 6 HA SER 6 1.344 -9.244 63.705 24 HB2 SER 6 1HB SER 6 -0.871 -8.817 61.684 25 HB3 SER 6 2HB SER 6 0.714 -9.513 61.346 26 HG SER 6 HG SER 6 0.072 -11.097 63.057 27 H GLY 7 H GLY 7 2.317 -8.130 61.601 28 HA2 GLY 7 1HA GLY 7 1.778 -5.454 61.021 29 HA3 GLY 7 2HA GLY 7 2.927 -5.475 62.350 30 H ASN 8 H ASN 8 3.553 -4.337 59.904 31 HA ASN 8 HA ASN 8 6.000 -5.593 59.307 32 HB2 ASN 8 1HB ASN 8 5.393 -6.078 56.842 33 HB3 ASN 8 2HB ASN 8 4.912 -7.255 58.061 34 HD21 ASN 8 1HD2 ASN 8 3.899 -5.696 55.396 35 HD22 ASN 8 2HD2 ASN 8 2.191 -5.734 55.651 36 H VAL 9 H VAL 9 7.007 -4.584 57.262 37 HA VAL 9 HA VAL 9 5.967 -2.176 56.215 38 HB VAL 9 HB VAL 9 6.427 -1.404 58.541 39 HG11 VAL 9 1HG1 VAL 9 8.265 -2.401 59.414 40 HG12 VAL 9 2HG1 VAL 9 9.101 -2.472 57.861 41 HG13 VAL 9 3HG1 VAL 9 9.054 -0.962 58.771 42 HG21 VAL 9 3HG2 VAL 9 8.322 -0.028 56.670 43 HG22 VAL 9 1HG2 VAL 9 6.580 0.012 56.393 44 HG23 VAL 9 2HG2 VAL 9 7.252 0.673 57.884 45 H ASP 10 H ASP 10 7.504 -1.056 54.827 46 HA ASP 10 HA ASP 10 10.140 -1.951 54.405 47 HB2 ASP 10 1HB ASP 10 9.854 -3.176 52.294 48 HB3 ASP 10 2HB ASP 10 9.055 -4.005 53.627 49 H SER 11 H SER 11 11.014 -1.142 52.263 50 HA SER 11 HA SER 11 9.565 0.747 50.738 51 HB2 SER 11 1HB SER 11 9.926 1.894 53.052 52 HB3 SER 11 2HB SER 11 11.588 2.099 52.500 53 HG SER 11 HG SER 11 9.216 3.182 51.444 54 H ASN 12 H ASN 12 11.198 2.216 49.484 55 HA ASN 12 HA ASN 12 13.846 1.140 49.174 56 HB2 ASN 12 1HB ASN 12 13.339 0.704 46.646 57 HB3 ASN 12 2HB ASN 12 12.961 -0.539 47.835 58 HD21 ASN 12 1HD2 ASN 12 10.746 -0.655 48.599 59 HD22 ASN 12 2HD2 ASN 12 9.464 -0.219 47.526 60 H GLN 13 H GLN 13 14.783 2.140 46.985 61 HA GLN 13 HA GLN 13 13.726 4.828 46.556 62 HB2 GLN 13 1HB GLN 13 15.590 4.652 48.411 63 HB3 GLN 13 2HB GLN 13 16.666 4.562 47.023 64 HG2 GLN 13 1HG GLN 13 16.077 6.703 46.284 65 HG3 GLN 13 2HG GLN 13 14.646 6.756 47.311 66 HE21 GLN 13 1HE2 GLN 13 15.005 6.832 49.636 67 HE22 GLN 13 2HE2 GLN 13 16.401 7.651 50.241 68 H ASN 14 H ASN 14 14.922 5.952 44.756 69 HA ASN 14 HA ASN 14 16.145 4.099 42.849 70 HB2 ASN 14 1HB ASN 14 14.695 5.207 41.040 71 HB3 ASN 14 2HB ASN 14 13.924 4.008 42.075 72 HD21 ASN 14 1HD2 ASN 14 11.876 4.810 41.788 73 HD22 ASN 14 2HD2 ASN 14 11.358 6.321 42.446 74 H LYS 15 H LYS 15 16.790 5.457 40.795 75 HA LYS 15 HA LYS 15 17.689 8.136 41.556 76 HB2 LYS 15 1HB LYS 15 19.437 6.212 41.958 77 HB3 LYS 15 2HB LYS 15 19.647 6.313 40.214 78 HG2 LYS 15 1HG LYS 15 21.253 7.777 40.865 79 HG3 LYS 15 2HG LYS 15 19.887 8.890 40.754 80 HD2 LYS 15 1HD LYS 15 19.511 8.716 43.142 81 HD3 LYS 15 2HD LYS 15 20.796 7.513 43.282 82 HE2 LYS 15 1HE LYS 15 21.184 10.349 42.331 83 HE3 LYS 15 2HE LYS 15 21.494 9.789 43.974 84 HZ1 LYS 15 3HZ LYS 15 23.013 9.303 41.528 85 HZ2 LYS 15 1HZ LYS 15 22.957 8.050 42.663 86 HZ3 LYS 15 2HZ LYS 15 23.561 9.567 43.106 87 H ALA 16 H ALA 16 17.231 9.522 39.987 88 HA ALA 16 HA ALA 16 16.496 8.540 37.358 89 HB1 ALA 16 1HB ALA 16 14.988 10.152 37.807 90 HB2 ALA 16 2HB ALA 16 16.074 11.014 38.897 91 HB3 ALA 16 3HB ALA 16 16.232 11.217 37.153 92 H SER 17 H SER 17 17.305 9.618 35.398 93 HA SER 17 HA SER 17 20.135 10.394 35.675 94 HB2 SER 17 1HB SER 17 18.793 8.506 33.787 95 HB3 SER 17 2HB SER 17 20.179 9.430 33.207 96 HG SER 17 HG SER 17 21.347 8.593 35.024 97 H MET 18 H MET 18 19.480 12.607 35.749 98 HA MET 18 HA MET 18 17.893 13.893 33.848 99 HB2 MET 18 1HB MET 18 18.969 14.726 36.104 100 HB3 MET 18 2HB MET 18 20.246 15.302 35.040 101 HG2 MET 18 1HG MET 18 18.869 17.138 35.222 102 HG3 MET 18 2HG MET 18 18.334 16.404 33.712 103 HE1 MET 18 3HE MET 18 16.677 18.358 34.463 104 HE2 MET 18 1HE MET 18 15.555 17.269 33.646 105 HE3 MET 18 2HE MET 18 15.130 17.959 35.212 106 H LEU 19 H LEU 19 18.205 14.494 31.797 107 HA LEU 19 HA LEU 19 20.722 15.176 30.693 108 HB2 LEU 19 1HB LEU 19 21.274 12.903 30.650 109 HB3 LEU 19 2HB LEU 19 19.645 12.426 30.177 110 HG LEU 19 HG LEU 19 21.258 14.063 28.281 111 HD11 LEU 19 1HD1 LEU 19 21.838 11.264 29.098 112 HD12 LEU 19 2HD1 LEU 19 22.935 12.542 28.577 113 HD13 LEU 19 3HD1 LEU 19 21.954 11.685 27.389 114 HD21 LEU 19 3HD2 LEU 19 19.860 11.820 27.186 115 HD22 LEU 19 1HD2 LEU 19 19.583 13.542 26.924 116 HD23 LEU 19 2HD2 LEU 19 18.788 12.715 28.264 117 H GLN 20 H GLN 20 20.414 16.425 28.946 118 HA GLN 20 HA GLN 20 17.825 16.244 27.555 119 HB2 GLN 20 1HB GLN 20 19.272 18.674 28.574 120 HB3 GLN 20 2HB GLN 20 18.124 18.791 27.247 121 HG2 GLN 20 1HG GLN 20 17.418 17.576 29.900 122 HG3 GLN 20 2HG GLN 20 17.243 19.296 29.556 123 HE21 GLN 20 1HE2 GLN 20 16.117 19.633 27.314 124 HE22 GLN 20 2HE2 GLN 20 14.650 18.743 27.114 125 H ALA 21 H ALA 21 17.999 17.718 25.464 126 HA ALA 21 HA ALA 21 20.496 17.928 24.164 127 HB1 ALA 21 1HB ALA 21 20.835 15.940 23.234 128 HB2 ALA 21 2HB ALA 21 19.528 15.309 24.236 129 HB3 ALA 21 3HB ALA 21 19.187 15.892 22.607 130 H ARG 22 H ARG 22 20.269 19.386 22.593 131 HA ARG 22 HA ARG 22 17.668 20.355 21.896 132 HB2 ARG 22 1HB ARG 22 20.433 21.072 20.918 133 HB3 ARG 22 2HB ARG 22 18.972 21.885 20.373 134 HG2 ARG 22 1HG ARG 22 18.529 22.353 22.848 135 HG3 ARG 22 2HG ARG 22 20.215 21.895 23.098 136 HD2 ARG 22 1HD ARG 22 20.293 24.213 22.846 137 HD3 ARG 22 2HD ARG 22 20.748 23.597 21.258 138 HE ARG 22 HE ARG 22 17.935 24.173 21.583 139 HH11 ARG 22 2HH1 ARG 22 21.055 25.378 20.615 140 HH12 ARG 22 1HH1 ARG 22 20.404 26.632 19.612 141 HH21 ARG 22 2HH2 ARG 22 17.067 25.820 20.265 142 HH22 ARG 22 1HH2 ARG 22 18.136 26.883 19.414 143 H LEU 23 H LEU 23 16.895 20.601 19.682 144 HA LEU 23 HA LEU 23 17.783 18.418 17.916 145 HB2 LEU 23 1HB LEU 23 15.584 17.846 17.380 146 HB3 LEU 23 2HB LEU 23 15.581 18.054 19.130 147 HG LEU 23 HG LEU 23 14.780 20.498 18.448 148 HD11 LEU 23 1HD1 LEU 23 13.205 20.332 16.549 149 HD12 LEU 23 2HD1 LEU 23 13.873 18.744 16.171 150 HD13 LEU 23 3HD1 LEU 23 14.894 20.178 16.066 151 HD21 LEU 23 3HD2 LEU 23 12.604 18.528 18.240 152 HD22 LEU 23 1HD2 LEU 23 12.817 19.876 19.357 153 HD23 LEU 23 2HD2 LEU 23 13.657 18.352 19.645 154 H ASN 24 H ASN 24 18.080 18.910 15.810 155 HA ASN 24 HA ASN 24 16.851 21.123 14.511 156 HB2 ASN 24 1HB ASN 24 18.360 22.533 15.663 157 HB3 ASN 24 2HB ASN 24 19.699 21.409 15.452 158 HD21 ASN 24 1HD2 ASN 24 18.113 24.120 14.242 159 HD22 ASN 24 2HD2 ASN 24 18.976 24.271 12.753 160 H ASP 25 H ASP 25 16.713 20.620 12.427 161 HA ASP 25 HA ASP 25 18.093 18.337 11.386 162 HB2 ASP 25 1HB ASP 25 16.925 19.181 9.204 163 HB3 ASP 25 2HB ASP 25 15.952 18.516 10.513 164 H GLU 26 H GLU 26 20.191 18.490 10.910 165 HA GLU 26 HA GLU 26 21.352 20.955 9.957 166 HB2 GLU 26 1HB GLU 26 22.389 19.070 11.491 167 HB3 GLU 26 2HB GLU 26 22.845 18.368 9.945 168 HG2 GLU 26 1HG GLU 26 23.515 21.190 10.724 169 HG3 GLU 26 2HG GLU 26 24.572 19.817 11.052 170 H ALA 27 H ALA 27 22.415 21.236 7.958 171 HA ALA 27 HA ALA 27 21.168 19.750 5.782 172 HB1 ALA 27 1HB ALA 27 22.694 21.636 4.560 173 HB2 ALA 27 2HB ALA 27 21.024 21.875 5.074 174 HB3 ALA 27 3HB ALA 27 22.349 22.415 6.105 175 H GLY 28 H GLY 28 24.470 21.019 6.283 176 HA2 GLY 28 1HA GLY 28 26.493 20.198 5.537 177 HA3 GLY 28 2HA GLY 28 25.924 18.716 6.290 178 H GLY 29 H GLY 29 27.069 17.495 4.718 179 HA2 GLY 29 1HA GLY 29 25.479 16.838 2.433 180 HA3 GLY 29 2HA GLY 29 26.941 17.701 1.979 181 H THR 30 H THR 30 25.915 14.833 1.681 182 HA THR 30 HA THR 30 28.481 13.589 2.301 183 HB THR 30 HB THR 30 27.393 11.570 3.235 184 HG1 THR 30 1HG THR 30 25.098 13.163 2.852 185 HG21 THR 30 3HG2 THR 30 27.434 12.360 5.373 186 HG22 THR 30 1HG2 THR 30 26.421 13.753 4.996 187 HG23 THR 30 2HG2 THR 30 28.131 13.763 4.564 188 H ARG 31 H ARG 31 29.078 11.997 0.881 189 HA ARG 31 HA ARG 31 28.151 11.994 -1.693 190 HB2 ARG 31 1HB ARG 31 29.457 10.058 -2.080 191 HB3 ARG 31 2HB ARG 31 30.274 10.937 -0.795 192 HG2 ARG 31 1HG ARG 31 28.331 8.778 -0.112 193 HG3 ARG 31 2HG ARG 31 29.970 8.367 -0.621 194 HD2 ARG 31 1HD ARG 31 29.314 10.265 1.626 195 HD3 ARG 31 2HD ARG 31 29.677 8.554 1.848 196 HE ARG 31 HE ARG 31 31.748 9.768 0.382 197 HH11 ARG 31 2HH1 ARG 31 30.400 9.690 3.591 198 HH12 ARG 31 1HH1 ARG 31 31.902 10.061 4.371 199 HH21 ARG 31 2HH2 ARG 31 33.731 10.258 1.398 200 HH22 ARG 31 1HH2 ARG 31 33.795 10.385 3.123 201 H LEU 32 H LEU 32 26.956 10.436 -2.949 202 HA LEU 32 HA LEU 32 24.941 8.950 -1.402 203 HB2 LEU 32 1HB LEU 32 24.445 10.552 -3.907 204 HB3 LEU 32 2HB LEU 32 23.251 9.581 -3.048 205 HG LEU 32 HG LEU 32 24.619 11.822 -1.623 206 HD11 LEU 32 1HD1 LEU 32 23.243 12.217 -4.027 207 HD12 LEU 32 2HD1 LEU 32 23.691 13.433 -2.831 208 HD13 LEU 32 3HD1 LEU 32 22.111 12.655 -2.747 209 HD21 LEU 32 3HD2 LEU 32 21.741 11.070 -1.414 210 HD22 LEU 32 1HD2 LEU 32 22.831 11.717 -0.187 211 HD23 LEU 32 2HD2 LEU 32 22.960 10.028 -0.678 212 H LEU 33 H LEU 33 24.145 7.051 -2.351 213 HA LEU 33 HA LEU 33 25.902 5.943 -4.422 214 HB2 LEU 33 1HB LEU 33 26.008 4.390 -2.787 215 HB3 LEU 33 2HB LEU 33 24.445 4.844 -2.110 216 HG LEU 33 HG LEU 33 24.452 3.395 -4.703 217 HD11 LEU 33 1HD1 LEU 33 24.385 1.496 -2.573 218 HD12 LEU 33 2HD1 LEU 33 25.898 2.400 -2.499 219 HD13 LEU 33 3HD1 LEU 33 25.448 1.553 -3.979 220 HD21 LEU 33 3HD2 LEU 33 22.683 3.813 -2.370 221 HD22 LEU 33 1HD2 LEU 33 22.576 2.251 -3.182 222 HD23 LEU 33 2HD2 LEU 33 22.299 3.738 -4.090 223 H ARG 34 H ARG 34 25.118 5.046 -6.295 224 HA ARG 34 HA ARG 34 22.573 6.015 -7.197 225 HB2 ARG 34 1HB ARG 34 23.168 4.974 -9.332 226 HB3 ARG 34 2HB ARG 34 24.499 5.938 -8.705 227 HG2 ARG 34 1HG ARG 34 25.642 4.086 -9.353 228 HG3 ARG 34 2HG ARG 34 25.246 3.617 -7.698 229 HD2 ARG 34 1HD ARG 34 24.585 1.735 -8.817 230 HD3 ARG 34 2HD ARG 34 23.082 2.655 -8.846 231 HE ARG 34 HE ARG 34 23.289 2.869 -11.120 232 HH11 ARG 34 2HH1 ARG 34 26.300 1.744 -9.783 233 HH12 ARG 34 1HH1 ARG 34 27.012 1.411 -11.327 234 HH21 ARG 34 2HH2 ARG 34 24.215 2.435 -13.159 235 HH22 ARG 34 1HH2 ARG 34 25.825 1.805 -13.247 236 H VAL 35 H VAL 35 20.780 4.803 -7.844 237 HA VAL 35 HA VAL 35 20.735 1.971 -7.081 238 HB VAL 35 HB VAL 35 19.817 3.137 -5.161 239 HG11 VAL 35 1HG1 VAL 35 17.686 4.278 -6.952 240 HG12 VAL 35 2HG1 VAL 35 18.004 4.651 -5.257 241 HG13 VAL 35 3HG1 VAL 35 19.138 5.172 -6.503 242 HG21 VAL 35 3HG2 VAL 35 18.011 1.526 -6.896 243 HG22 VAL 35 1HG2 VAL 35 18.723 1.132 -5.331 244 HG23 VAL 35 2HG2 VAL 35 17.354 2.240 -5.424 245 H HIS 36 H HIS 36 19.498 0.688 -8.367 246 HA HIS 36 HA HIS 36 18.506 1.869 -10.818 247 HB2 HIS 36 1HB HIS 36 18.048 -0.565 -11.405 248 HB3 HIS 36 2HB HIS 36 19.733 -0.135 -11.131 249 HD1 HIS 36 1HD HIS 36 20.817 -0.990 -8.896 250 HD2 HIS 36 2HD HIS 36 17.000 -2.441 -9.664 251 HE1 HIS 36 1HE HIS 36 20.509 -2.934 -7.331 252 HE2 HIS 36 2HE HIS 36 18.226 -3.848 -7.873 253 H HIS 37 H HIS 37 17.150 -0.310 -8.338 254 HA HIS 37 HA HIS 37 14.501 0.840 -8.926 255 HB2 HIS 37 1HB HIS 37 15.146 -2.029 -8.212 256 HB3 HIS 37 2HB HIS 37 13.522 -1.371 -8.386 257 HD1 HIS 37 1HD HIS 37 15.111 -3.639 -10.149 258 HD2 HIS 37 2HD HIS 37 14.062 0.228 -11.248 259 HE1 HIS 37 1HE HIS 37 15.029 -3.653 -12.662 260 HE2 HIS 37 2HE HIS 37 14.476 -1.282 -13.307 261 H GLU 38 H GLU 38 13.325 1.528 -7.226 262 HA GLU 38 HA GLU 38 14.573 1.339 -4.586 263 HB2 GLU 38 1HB GLU 38 12.423 3.149 -5.689 264 HB3 GLU 38 2HB GLU 38 12.894 3.132 -3.995 265 HG2 GLU 38 1HG GLU 38 15.188 3.729 -4.649 266 HG3 GLU 38 2HG GLU 38 14.666 3.810 -6.331 267 H SER 39 H SER 39 13.954 -0.749 -3.994 268 HA SER 39 HA SER 39 11.144 -1.459 -3.973 269 HB2 SER 39 1HB SER 39 11.846 -3.632 -3.295 270 HB3 SER 39 2HB SER 39 13.037 -3.087 -4.476 271 HG SER 39 HG SER 39 13.295 -3.064 -1.650 272 H ASP 40 H ASP 40 11.873 0.808 -2.388 273 HA ASP 40 HA ASP 40 10.557 0.129 0.033 274 HB2 ASP 40 1HB ASP 40 12.959 -0.698 0.395 275 HB3 ASP 40 2HB ASP 40 13.413 1.003 0.431 276 H THR 41 H THR 41 9.883 1.942 1.183 277 HA THR 41 HA THR 41 10.342 4.492 -0.206 278 HB THR 41 HB THR 41 8.119 3.949 1.755 279 HG1 THR 41 1HG THR 41 6.856 3.581 -0.214 280 HG21 THR 41 3HG2 THR 41 8.644 6.013 -0.369 281 HG22 THR 41 1HG2 THR 41 8.346 6.261 1.351 282 HG23 THR 41 2HG2 THR 41 7.033 5.739 0.294 283 H GLU 42 H GLU 42 12.403 3.858 1.396 284 HA GLU 42 HA GLU 42 12.078 4.805 4.077 285 HB2 GLU 42 1HB GLU 42 13.892 3.206 3.003 286 HB3 GLU 42 2HB GLU 42 14.752 4.718 2.754 287 HG2 GLU 42 1HG GLU 42 14.807 5.170 5.083 288 HG3 GLU 42 2HG GLU 42 13.691 3.849 5.427 289 H GLU 43 H GLU 43 13.200 6.674 4.970 290 HA GLU 43 HA GLU 43 12.477 9.078 4.015 291 HB2 GLU 43 1HB GLU 43 13.873 10.039 5.562 292 HB3 GLU 43 2HB GLU 43 13.859 8.384 6.153 293 HG2 GLU 43 1HG GLU 43 15.955 8.020 4.785 294 HG3 GLU 43 2HG GLU 43 16.002 9.769 4.574 295 H ARG 44 H ARG 44 15.387 7.317 3.063 296 HA ARG 44 HA ARG 44 16.882 9.029 1.670 297 HB2 ARG 44 1HB ARG 44 17.295 7.242 -0.014 298 HB3 ARG 44 2HB ARG 44 17.383 6.675 1.648 299 HG2 ARG 44 1HG ARG 44 14.853 6.079 1.222 300 HG3 ARG 44 2HG ARG 44 15.383 6.072 -0.461 301 HD2 ARG 44 1HD ARG 44 17.008 4.610 1.562 302 HD3 ARG 44 2HD ARG 44 15.490 3.895 1.020 303 HE ARG 44 HE ARG 44 17.169 4.742 -1.143 304 HH11 ARG 44 2HH1 ARG 44 16.523 2.174 1.118 305 HH12 ARG 44 1HH1 ARG 44 17.213 0.941 0.115 306 HH21 ARG 44 2HH2 ARG 44 18.081 3.128 -2.472 307 HH22 ARG 44 1HH2 ARG 44 18.100 1.485 -1.926 308 H GLY 45 H GLY 45 14.010 7.484 0.209 309 HA2 GLY 45 1HA GLY 45 14.072 9.158 -2.101 310 HA3 GLY 45 2HA GLY 45 12.759 8.090 -1.627 311 H PHE 46 H PHE 46 12.008 9.110 0.795 312 HA PHE 46 HA PHE 46 10.263 11.139 0.150 313 HB2 PHE 46 1HB PHE 46 9.796 9.985 2.137 314 HB3 PHE 46 2HB PHE 46 11.418 10.239 2.773 315 HD1 PHE 46 1HD PHE 46 8.324 12.081 1.847 316 HD2 PHE 46 2HD PHE 46 11.813 11.948 4.282 317 HE1 PHE 46 1HE PHE 46 7.518 14.038 3.102 318 HE2 PHE 46 2HE PHE 46 11.013 13.904 5.541 319 HZ PHE 46 HZ PHE 46 8.863 14.951 4.953 320 H LEU 47 H LEU 47 13.019 11.676 2.341 321 HA LEU 47 HA LEU 47 13.035 14.425 2.256 322 HB2 LEU 47 1HB LEU 47 15.198 12.404 2.682 323 HB3 LEU 47 2HB LEU 47 15.582 14.124 2.657 324 HG LEU 47 HG LEU 47 13.464 13.079 4.498 325 HD11 LEU 47 1HD1 LEU 47 16.422 12.779 4.764 326 HD12 LEU 47 2HD1 LEU 47 15.133 11.657 5.200 327 HD13 LEU 47 3HD1 LEU 47 15.437 13.080 6.196 328 HD21 LEU 47 3HD2 LEU 47 15.172 15.105 5.553 329 HD22 LEU 47 1HD2 LEU 47 13.449 15.186 5.188 330 HD23 LEU 47 2HD2 LEU 47 14.633 15.589 3.944 331 H GLU 48 H GLU 48 15.169 12.311 0.324 332 HA GLU 48 HA GLU 48 16.452 14.099 -1.238 333 HB2 GLU 48 1HB GLU 48 16.723 11.649 -1.404 334 HB3 GLU 48 2HB GLU 48 15.188 11.548 -2.256 335 HG2 GLU 48 1HG GLU 48 16.599 11.535 -4.029 336 HG3 GLU 48 2HG GLU 48 16.366 13.274 -3.864 337 H LYS 49 H LYS 49 13.246 12.756 -2.029 338 HA LYS 49 HA LYS 49 12.798 14.331 -4.305 339 HB2 LYS 49 1HB LYS 49 11.516 12.262 -3.502 340 HB3 LYS 49 2HB LYS 49 10.616 13.363 -2.467 341 HG2 LYS 49 1HG LYS 49 9.723 14.524 -4.331 342 HG3 LYS 49 2HG LYS 49 10.820 13.708 -5.447 343 HD2 LYS 49 1HD LYS 49 9.722 11.568 -4.930 344 HD3 LYS 49 2HD LYS 49 8.606 12.412 -3.853 345 HE2 LYS 49 1HE LYS 49 8.898 13.197 -6.735 346 HE3 LYS 49 2HE LYS 49 7.830 11.881 -6.247 347 HZ1 LYS 49 3HZ LYS 49 7.033 13.742 -4.560 348 HZ2 LYS 49 1HZ LYS 49 6.372 13.583 -6.110 349 HZ3 LYS 49 2HZ LYS 49 7.560 14.750 -5.813 350 H ALA 50 H ALA 50 12.120 14.908 -0.895 351 HA ALA 50 HA ALA 50 10.522 17.185 -1.139 352 HB1 ALA 50 1HB ALA 50 11.027 17.633 1.146 353 HB2 ALA 50 2HB ALA 50 10.947 15.881 0.955 354 HB3 ALA 50 3HB ALA 50 12.512 16.686 1.065 355 H ALA 51 H ALA 51 14.054 16.897 -0.889 356 HA ALA 51 HA ALA 51 14.684 19.609 -0.831 357 HB1 ALA 51 1HB ALA 51 16.439 18.159 -0.342 358 HB2 ALA 51 2HB ALA 51 16.177 17.197 -1.797 359 HB3 ALA 51 3HB ALA 51 16.871 18.813 -1.923 360 H VAL 52 H VAL 52 14.874 17.480 -3.693 361 HA VAL 52 HA VAL 52 15.306 19.400 -5.612 362 HB VAL 52 HB VAL 52 13.598 16.932 -5.955 363 HG11 VAL 52 1HG1 VAL 52 14.243 19.020 -7.752 364 HG12 VAL 52 2HG1 VAL 52 15.157 17.593 -8.245 365 HG13 VAL 52 3HG1 VAL 52 13.402 17.507 -8.089 366 HG21 VAL 52 3HG2 VAL 52 16.574 17.282 -6.309 367 HG22 VAL 52 1HG2 VAL 52 15.790 16.425 -4.982 368 HG23 VAL 52 2HG2 VAL 52 15.654 15.812 -6.630 369 H LYS 53 H LYS 53 12.128 18.082 -4.666 370 HA LYS 53 HA LYS 53 10.538 19.703 -6.253 371 HB2 LYS 53 1HB LYS 53 10.095 18.324 -3.631 372 HB3 LYS 53 2HB LYS 53 8.850 19.386 -4.275 373 HG2 LYS 53 1HG LYS 53 10.022 17.099 -5.834 374 HG3 LYS 53 2HG LYS 53 8.595 16.944 -4.806 375 HD2 LYS 53 1HD LYS 53 8.662 19.122 -6.837 376 HD3 LYS 53 2HD LYS 53 8.379 17.467 -7.382 377 HE2 LYS 53 1HE LYS 53 6.262 18.539 -6.979 378 HE3 LYS 53 2HE LYS 53 6.521 17.297 -5.756 379 HZ1 LYS 53 3HZ LYS 53 6.940 18.878 -4.127 380 HZ2 LYS 53 1HZ LYS 53 5.664 19.564 -5.003 381 HZ3 LYS 53 2HZ LYS 53 7.246 20.112 -5.243 382 H LYS 54 H LYS 54 11.608 20.278 -2.909 383 HA LYS 54 HA LYS 54 10.353 22.645 -2.360 384 HB2 LYS 54 1HB LYS 54 12.962 21.464 -1.554 385 HB3 LYS 54 2HB LYS 54 12.697 23.162 -1.181 386 HG2 LYS 54 1HG LYS 54 10.468 22.350 -0.160 387 HG3 LYS 54 2HG LYS 54 11.234 20.759 -0.174 388 HD2 LYS 54 1HD LYS 54 12.947 21.456 1.282 389 HD3 LYS 54 2HD LYS 54 12.574 23.164 1.034 390 HE2 LYS 54 1HE LYS 54 11.696 22.682 3.146 391 HE3 LYS 54 2HE LYS 54 10.299 22.627 2.072 392 HZ1 LYS 54 3HZ LYS 54 11.432 20.071 2.168 393 HZ2 LYS 54 1HZ LYS 54 9.918 20.566 2.738 394 HZ3 LYS 54 2HZ LYS 54 11.264 20.616 3.761 395 H MET 55 H MET 55 13.564 22.339 -3.888 396 HA MET 55 HA MET 55 14.075 25.002 -4.366 397 HB2 MET 55 1HB MET 55 14.746 22.674 -6.176 398 HB3 MET 55 2HB MET 55 15.514 24.255 -6.217 399 HG2 MET 55 1HG MET 55 15.531 22.760 -3.655 400 HG3 MET 55 2HG MET 55 16.589 22.211 -4.951 401 HE1 MET 55 3HE MET 55 19.269 24.224 -5.367 402 HE2 MET 55 1HE MET 55 19.419 23.425 -3.802 403 HE3 MET 55 2HE MET 55 18.559 22.628 -5.119 404 H ALA 56 H ALA 56 12.179 22.752 -6.335 405 HA ALA 56 HA ALA 56 11.717 24.303 -8.569 406 HB1 ALA 56 1HB ALA 56 10.593 21.955 -7.407 407 HB2 ALA 56 2HB ALA 56 9.287 22.988 -7.989 408 HB3 ALA 56 3HB ALA 56 10.568 22.481 -9.091 409 H LYS 57 H LYS 57 9.561 24.078 -5.731 410 HA LYS 57 HA LYS 57 7.673 25.915 -6.328 411 HB2 LYS 57 1HB LYS 57 9.057 25.617 -3.656 412 HB3 LYS 57 2HB LYS 57 7.510 26.416 -3.906 413 HG2 LYS 57 1HG LYS 57 6.396 24.445 -4.282 414 HG3 LYS 57 2HG LYS 57 7.851 23.598 -4.812 415 HD2 LYS 57 1HD LYS 57 7.278 22.724 -2.676 416 HD3 LYS 57 2HD LYS 57 8.682 23.768 -2.442 417 HE2 LYS 57 1HE LYS 57 7.366 24.489 -0.719 418 HE3 LYS 57 2HE LYS 57 6.823 25.583 -1.990 419 HZ1 LYS 57 3HZ LYS 57 4.810 24.849 -1.365 420 HZ2 LYS 57 1HZ LYS 57 5.405 23.420 -0.680 421 HZ3 LYS 57 2HZ LYS 57 5.171 23.523 -2.352 422 H ALA 58 H ALA 58 10.669 26.779 -4.589 423 HA ALA 58 HA ALA 58 10.438 29.480 -4.466 424 HB1 ALA 58 1HB ALA 58 13.098 29.129 -5.202 425 HB2 ALA 58 2HB ALA 58 12.437 29.113 -3.567 426 HB3 ALA 58 3HB ALA 58 12.629 27.602 -4.456 427 H ILE 59 H ILE 59 11.515 27.613 -7.279 428 HA ILE 59 HA ILE 59 12.123 29.824 -8.924 429 HB ILE 59 HB ILE 59 11.264 27.052 -9.761 430 HG12 ILE 59 1HG1 ILE 59 14.081 28.110 -9.587 431 HG13 ILE 59 2HG1 ILE 59 13.306 27.302 -8.229 432 HG21 ILE 59 1HG2 ILE 59 12.964 27.999 -11.681 433 HG22 ILE 59 2HG2 ILE 59 11.205 27.991 -11.791 434 HG23 ILE 59 3HG2 ILE 59 12.047 29.442 -11.248 435 HD11 ILE 59 3HD1 ILE 59 13.364 25.260 -9.235 436 HD12 ILE 59 1HD1 ILE 59 13.313 25.935 -10.863 437 HD13 ILE 59 2HD1 ILE 59 14.810 25.991 -9.931 438 H MET 60 H MET 60 9.255 27.699 -8.901 439 HA MET 60 HA MET 60 7.707 28.791 -10.819 440 HB2 MET 60 1HB MET 60 6.774 28.015 -8.050 441 HB3 MET 60 2HB MET 60 5.727 28.213 -9.449 442 HG2 MET 60 1HG MET 60 8.017 26.300 -9.547 443 HG3 MET 60 2HG MET 60 6.511 25.850 -8.751 444 HE1 MET 60 3HE MET 60 4.614 24.545 -10.247 445 HE2 MET 60 1HE MET 60 4.227 26.217 -9.839 446 HE3 MET 60 2HE MET 60 3.926 25.615 -11.469 447 H ALA 61 H ALA 61 8.065 30.089 -7.533 448 HA ALA 61 HA ALA 61 6.321 32.298 -7.947 449 HB1 ALA 61 1HB ALA 61 6.658 31.605 -5.713 450 HB2 ALA 61 2HB ALA 61 8.413 31.716 -5.865 451 HB3 ALA 61 3HB ALA 61 7.434 33.183 -5.857 452 H ASP 62 H ASP 62 9.853 32.316 -7.426 453 HA ASP 62 HA ASP 62 9.996 34.785 -9.006 454 HB2 ASP 62 1HB ASP 62 10.933 34.686 -6.645 455 HB3 ASP 62 2HB ASP 62 12.178 33.614 -7.280 456 HA PRO 63 HA PRO 63 11.682 32.324 -12.310 457 HB2 PRO 63 1HB PRO 63 12.153 34.401 -13.993 458 HB3 PRO 63 2HB PRO 63 10.541 33.727 -13.727 459 HG2 PRO 63 1HG PRO 63 11.795 36.168 -12.531 460 HG3 PRO 63 2HG PRO 63 10.151 35.948 -13.158 461 HD2 PRO 63 1HD PRO 63 10.721 35.879 -10.512 462 HD3 PRO 63 2HD PRO 63 9.420 34.911 -11.234 463 H ASN 64 H ASN 64 13.241 34.929 -10.633 464 HA ASN 64 HA ASN 64 15.770 34.722 -11.945 465 HB2 ASN 64 1HB ASN 64 15.219 35.853 -9.196 466 HB3 ASN 64 2HB ASN 64 16.584 36.220 -10.247 467 HD21 ASN 64 1HD2 ASN 64 13.126 36.581 -9.826 468 HD22 ASN 64 2HD2 ASN 64 12.956 37.968 -10.843 469 H LYS 65 H LYS 65 14.164 32.794 -9.692 470 HA LYS 65 HA LYS 65 16.510 31.822 -8.320 471 HB2 LYS 65 1HB LYS 65 13.592 31.140 -8.282 472 HB3 LYS 65 2HB LYS 65 14.756 30.032 -7.568 473 HG2 LYS 65 1HG LYS 65 14.653 32.932 -6.809 474 HG3 LYS 65 2HG LYS 65 13.641 31.716 -6.026 475 HD2 LYS 65 1HD LYS 65 15.417 30.706 -4.993 476 HD3 LYS 65 2HD LYS 65 16.558 31.179 -6.255 477 HE2 LYS 65 1HE LYS 65 17.197 32.521 -4.483 478 HE3 LYS 65 2HE LYS 65 16.125 33.586 -5.391 479 HZ1 LYS 65 3HZ LYS 65 15.360 31.999 -3.000 480 HZ2 LYS 65 1HZ LYS 65 14.337 33.028 -3.869 481 HZ3 LYS 65 2HZ LYS 65 15.656 33.664 -3.024 482 H ALA 66 H ALA 66 14.419 30.772 -10.951 483 HA ALA 66 HA ALA 66 15.106 28.169 -11.324 484 HB1 ALA 66 1HB ALA 66 14.528 28.397 -13.596 485 HB2 ALA 66 2HB ALA 66 13.571 29.608 -12.740 486 HB3 ALA 66 3HB ALA 66 15.014 30.092 -13.631 487 H ASP 67 H ASP 67 16.826 30.810 -13.001 488 HA ASP 67 HA ASP 67 18.903 29.475 -14.091 489 HB2 ASP 67 1HB ASP 67 18.397 32.036 -13.969 490 HB3 ASP 67 2HB ASP 67 19.512 32.009 -12.606 491 H GLU 68 H GLU 68 19.069 30.882 -10.814 492 HA GLU 68 HA GLU 68 21.506 29.814 -10.062 493 HB2 GLU 68 1HB GLU 68 19.124 30.228 -8.249 494 HB3 GLU 68 2HB GLU 68 20.811 30.165 -7.761 495 HG2 GLU 68 1HG GLU 68 19.774 32.229 -9.674 496 HG3 GLU 68 2HG GLU 68 19.737 32.453 -7.926 497 H VAL 69 H VAL 69 18.341 28.501 -9.064 498 HA VAL 69 HA VAL 69 19.076 26.175 -7.901 499 HB VAL 69 HB VAL 69 16.765 26.561 -9.807 500 HG11 VAL 69 1HG1 VAL 69 16.808 24.278 -9.717 501 HG12 VAL 69 2HG1 VAL 69 17.589 24.243 -8.135 502 HG13 VAL 69 3HG1 VAL 69 15.870 24.617 -8.263 503 HG21 VAL 69 3HG2 VAL 69 15.787 27.680 -8.156 504 HG22 VAL 69 1HG2 VAL 69 16.050 26.333 -7.048 505 HG23 VAL 69 2HG2 VAL 69 17.285 27.580 -7.230 506 H TYR 70 H TYR 70 18.246 26.327 -11.371 507 HA TYR 70 HA TYR 70 18.877 23.876 -12.239 508 HB2 TYR 70 1HB TYR 70 19.719 26.458 -13.569 509 HB3 TYR 70 2HB TYR 70 19.675 24.890 -14.367 510 HD1 TYR 70 1HD TYR 70 17.132 23.810 -13.247 511 HD2 TYR 70 2HD TYR 70 18.093 27.679 -14.734 512 HE1 TYR 70 1HE TYR 70 14.768 24.168 -13.827 513 HE2 TYR 70 2HE TYR 70 15.732 28.048 -15.317 514 HH TYR 70 HH TYR 70 13.565 25.811 -15.708 515 H LYS 71 H LYS 71 21.305 26.440 -11.782 516 HA LYS 71 HA LYS 71 23.548 24.891 -12.443 517 HB2 LYS 71 1HB LYS 71 23.327 27.274 -10.594 518 HB3 LYS 71 2HB LYS 71 24.841 26.610 -11.195 519 HG2 LYS 71 1HG LYS 71 24.466 27.352 -13.350 520 HG3 LYS 71 2HG LYS 71 22.721 27.476 -13.113 521 HD2 LYS 71 1HD LYS 71 23.388 29.695 -13.092 522 HD3 LYS 71 2HD LYS 71 23.339 29.298 -11.373 523 HE2 LYS 71 1HE LYS 71 25.360 30.485 -11.751 524 HE3 LYS 71 2HE LYS 71 25.795 28.791 -11.525 525 HZ1 LYS 71 3HZ LYS 71 25.441 28.964 -14.195 526 HZ2 LYS 71 1HZ LYS 71 26.936 29.059 -13.408 527 HZ3 LYS 71 2HZ LYS 71 26.115 30.474 -13.838 528 H LYS 72 H LYS 72 21.936 25.457 -9.347 529 HA LYS 72 HA LYS 72 23.805 24.113 -7.724 530 HB2 LYS 72 1HB LYS 72 20.836 24.511 -7.309 531 HB3 LYS 72 2HB LYS 72 21.970 23.993 -6.069 532 HG2 LYS 72 1HG LYS 72 23.176 26.122 -6.309 533 HG3 LYS 72 2HG LYS 72 21.984 26.641 -7.504 534 HD2 LYS 72 1HD LYS 72 21.077 27.591 -5.637 535 HD3 LYS 72 2HD LYS 72 20.302 26.007 -5.555 536 HE2 LYS 72 1HE LYS 72 22.903 26.617 -4.173 537 HE3 LYS 72 2HE LYS 72 21.338 26.888 -3.409 538 HZ1 LYS 72 3HZ LYS 72 21.714 24.785 -2.711 539 HZ2 LYS 72 1HZ LYS 72 22.693 24.382 -4.031 540 HZ3 LYS 72 2HZ LYS 72 21.010 24.398 -4.199 541 H TRP 73 H TRP 73 20.796 22.994 -9.250 542 HA TRP 73 HA TRP 73 20.740 20.407 -8.263 543 HB2 TRP 73 1HB TRP 73 19.705 21.721 -10.731 544 HB3 TRP 73 2HB TRP 73 19.688 19.961 -10.666 545 HD1 TRP 73 HD TRP 73 18.979 19.871 -7.457 546 HE1 TRP 73 1HE TRP 73 16.544 20.346 -6.770 547 HE3 TRP 73 3HE TRP 73 17.421 22.349 -11.649 548 HZ2 TRP 73 2HZ TRP 73 14.265 21.605 -7.861 549 HZ3 TRP 73 3HZ TRP 73 15.099 23.156 -11.747 550 HH2 TRP 73 HH TRP 73 13.555 22.790 -9.892 551 H ALA 74 H ALA 74 21.906 21.269 -11.525 552 HA ALA 74 HA ALA 74 23.081 18.899 -12.212 553 HB1 ALA 74 1HB ALA 74 23.034 20.468 -13.908 554 HB2 ALA 74 2HB ALA 74 23.745 21.731 -12.902 555 HB3 ALA 74 3HB ALA 74 24.750 20.411 -13.502 556 H ASP 75 H ASP 75 24.352 21.384 -10.084 557 HA ASP 75 HA ASP 75 27.000 20.422 -9.915 558 HB2 ASP 75 1HB ASP 75 25.296 22.270 -8.322 559 HB3 ASP 75 2HB ASP 75 26.740 21.628 -7.543 560 H LYS 76 H LYS 76 24.043 19.574 -8.237 561 HA LYS 76 HA LYS 76 25.289 18.007 -6.205 562 HB2 LYS 76 1HB LYS 76 22.447 17.888 -7.232 563 HB3 LYS 76 2HB LYS 76 23.031 17.206 -5.720 564 HG2 LYS 76 1HG LYS 76 23.340 20.126 -6.262 565 HG3 LYS 76 2HG LYS 76 21.794 19.479 -5.709 566 HD2 LYS 76 1HD LYS 76 23.173 18.352 -3.850 567 HD3 LYS 76 2HD LYS 76 24.448 19.485 -4.306 568 HE2 LYS 76 1HE LYS 76 21.646 20.270 -3.513 569 HE3 LYS 76 2HE LYS 76 23.036 20.284 -2.430 570 HZ1 LYS 76 3HZ LYS 76 23.233 22.391 -3.117 571 HZ2 LYS 76 1HZ LYS 76 22.300 22.151 -4.508 572 HZ3 LYS 76 2HZ LYS 76 23.937 21.726 -4.505 573 H GLY 77 H GLY 77 23.802 17.276 -9.337 574 HA2 GLY 77 1HA GLY 77 24.944 15.492 -10.622 575 HA3 GLY 77 2HA GLY 77 24.957 14.563 -9.131 576 H TYR 78 H TYR 78 22.339 16.475 -10.568 577 HA TYR 78 HA TYR 78 20.678 14.050 -10.526 578 HB2 TYR 78 1HB TYR 78 19.788 16.938 -10.635 579 HB3 TYR 78 2HB TYR 78 18.750 15.530 -10.438 580 HD1 TYR 78 1HD TYR 78 19.871 13.938 -8.400 581 HD2 TYR 78 2HD TYR 78 19.896 18.182 -8.703 582 HE1 TYR 78 1HE TYR 78 20.101 14.106 -5.957 583 HE2 TYR 78 2HE TYR 78 20.128 18.361 -6.261 584 HH TYR 78 HH TYR 78 19.604 16.957 -4.255 585 H THR 79 H THR 79 19.792 13.259 -12.346 586 HA THR 79 HA THR 79 20.287 14.744 -14.844 587 HB THR 79 HB THR 79 20.056 12.402 -15.903 588 HG1 THR 79 1HG THR 79 20.568 11.727 -13.180 589 HG21 THR 79 3HG2 THR 79 22.497 11.866 -15.054 590 HG22 THR 79 1HG2 THR 79 22.364 13.479 -14.355 591 HG23 THR 79 2HG2 THR 79 22.180 13.254 -16.094 592 H LEU 80 H LEU 80 18.716 14.461 -16.564 593 HA LEU 80 HA LEU 80 16.187 15.164 -16.054 594 HB2 LEU 80 1HB LEU 80 16.917 13.159 -18.182 595 HB3 LEU 80 2HB LEU 80 15.506 14.215 -18.178 596 HG LEU 80 HG LEU 80 18.375 15.132 -18.385 597 HD11 LEU 80 1HD1 LEU 80 17.992 15.506 -20.682 598 HD12 LEU 80 2HD1 LEU 80 16.265 15.184 -20.526 599 HD13 LEU 80 3HD1 LEU 80 17.426 13.867 -20.357 600 HD21 LEU 80 3HD2 LEU 80 17.033 17.241 -19.177 601 HD22 LEU 80 1HD2 LEU 80 17.316 16.946 -17.461 602 HD23 LEU 80 2HD2 LEU 80 15.756 16.542 -18.180 603 H THR 81 H THR 81 17.048 11.741 -16.586 604 HA THR 81 HA THR 81 14.685 10.527 -16.010 605 HB THR 81 HB THR 81 17.436 9.598 -15.168 606 HG1 THR 81 1HG THR 81 17.421 9.639 -17.346 607 HG21 THR 81 3HG2 THR 81 16.560 7.432 -14.836 608 HG22 THR 81 1HG2 THR 81 15.009 7.861 -15.555 609 HG23 THR 81 2HG2 THR 81 15.460 8.511 -13.979 610 H GLN 82 H GLN 82 17.155 11.435 -13.608 611 HA GLN 82 HA GLN 82 15.558 10.638 -11.382 612 HB2 GLN 82 1HB GLN 82 18.076 12.271 -11.643 613 HB3 GLN 82 2HB GLN 82 17.296 12.002 -10.090 614 HG2 GLN 82 1HG GLN 82 19.223 10.459 -10.795 615 HG3 GLN 82 2HG GLN 82 17.775 9.742 -10.090 616 HE21 GLN 82 1HE2 GLN 82 16.662 8.276 -11.228 617 HE22 GLN 82 2HE2 GLN 82 17.020 7.807 -12.851 618 H MET 83 H MET 83 16.733 13.893 -12.256 619 HA MET 83 HA MET 83 15.306 15.477 -10.641 620 HB2 MET 83 1HB MET 83 16.757 16.446 -12.284 621 HB3 MET 83 2HB MET 83 15.753 15.856 -13.602 622 HG2 MET 83 1HG MET 83 15.413 18.218 -13.305 623 HG3 MET 83 2HG MET 83 13.946 17.343 -12.873 624 HE1 MET 83 3HE MET 83 16.887 19.118 -9.793 625 HE2 MET 83 1HE MET 83 17.172 17.552 -10.552 626 HE3 MET 83 2HE MET 83 17.182 19.019 -11.530 627 H SER 84 H SER 84 13.990 14.661 -13.857 628 HA SER 84 HA SER 84 11.459 15.591 -13.609 629 HB2 SER 84 1HB SER 84 10.742 13.812 -15.171 630 HB3 SER 84 2HB SER 84 12.277 14.533 -15.656 631 HG SER 84 HG SER 84 13.231 12.694 -14.433 632 H ASN 85 H ASN 85 12.304 12.208 -12.841 633 HA ASN 85 HA ASN 85 10.026 11.255 -11.799 634 HB2 ASN 85 1HB ASN 85 12.875 10.871 -11.017 635 HB3 ASN 85 2HB ASN 85 11.641 10.210 -9.949 636 HD21 ASN 85 1HD2 ASN 85 13.266 8.442 -11.014 637 HD22 ASN 85 2HD2 ASN 85 12.510 7.553 -12.288 638 H PHE 86 H PHE 86 12.244 13.427 -10.099 639 HA PHE 86 HA PHE 86 10.808 13.456 -7.656 640 HB2 PHE 86 1HB PHE 86 12.728 15.495 -8.799 641 HB3 PHE 86 2HB PHE 86 12.169 15.453 -7.131 642 HD1 PHE 86 1HD PHE 86 12.301 12.604 -6.500 643 HD2 PHE 86 2HD PHE 86 14.994 15.048 -8.712 644 HE1 PHE 86 1HE PHE 86 14.150 11.088 -5.918 645 HE2 PHE 86 2HE PHE 86 16.846 13.536 -8.134 646 HZ PHE 86 HZ PHE 86 16.426 11.553 -6.736 647 H LEU 87 H LEU 87 10.821 15.606 -10.473 648 HA LEU 87 HA LEU 87 8.762 17.291 -9.336 649 HB2 LEU 87 1HB LEU 87 10.015 17.274 -12.078 650 HB3 LEU 87 2HB LEU 87 8.900 18.499 -11.477 651 HG LEU 87 HG LEU 87 11.694 17.951 -10.481 652 HD11 LEU 87 1HD1 LEU 87 12.355 19.867 -11.549 653 HD12 LEU 87 2HD1 LEU 87 10.731 20.553 -11.565 654 HD13 LEU 87 3HD1 LEU 87 11.151 19.258 -12.686 655 HD21 LEU 87 3HD2 LEU 87 10.485 18.556 -8.561 656 HD22 LEU 87 1HD2 LEU 87 9.517 19.740 -9.439 657 HD23 LEU 87 2HD2 LEU 87 11.223 20.056 -9.125 658 H LYS 88 H LYS 88 8.627 14.306 -10.506 659 HA LYS 88 HA LYS 88 6.375 14.593 -12.307 660 HB2 LYS 88 1HB LYS 88 7.919 12.244 -11.235 661 HB3 LYS 88 2HB LYS 88 6.413 12.019 -12.115 662 HG2 LYS 88 1HG LYS 88 8.558 13.688 -13.330 663 HG3 LYS 88 2HG LYS 88 8.717 11.930 -13.347 664 HD2 LYS 88 1HD LYS 88 7.635 12.375 -15.355 665 HD3 LYS 88 2HD LYS 88 6.303 11.957 -14.275 666 HE2 LYS 88 1HE LYS 88 5.526 14.109 -14.181 667 HE3 LYS 88 2HE LYS 88 7.116 14.811 -14.472 668 HZ1 LYS 88 3HZ LYS 88 6.864 14.690 -16.698 669 HZ2 LYS 88 1HZ LYS 88 5.219 14.746 -16.307 670 HZ3 LYS 88 2HZ LYS 88 5.956 13.263 -16.648 671 H SER 89 H SER 89 4.731 15.488 -11.078 672 HA SER 89 HA SER 89 3.845 14.001 -8.712 673 HB2 SER 89 1HB SER 89 4.150 16.466 -8.520 674 HB3 SER 89 2HB SER 89 2.888 16.686 -9.733 675 HG SER 89 HG SER 89 2.548 15.346 -7.253 676 H LYS 90 H LYS 90 3.432 12.682 -11.091 677 HA LYS 90 HA LYS 90 1.833 11.951 -12.603 678 HB2 LYS 90 1HB LYS 90 -0.226 11.158 -11.169 679 HB3 LYS 90 2HB LYS 90 1.346 10.393 -10.980 680 HG2 LYS 90 1HG LYS 90 0.674 10.727 -8.799 681 HG3 LYS 90 2HG LYS 90 1.706 12.127 -9.101 682 HD2 LYS 90 1HD LYS 90 -0.139 13.097 -8.101 683 HD3 LYS 90 2HD LYS 90 -0.520 13.273 -9.816 684 HE2 LYS 90 1HE LYS 90 -2.093 11.554 -9.765 685 HE3 LYS 90 2HE LYS 90 -1.443 10.876 -8.273 686 HZ1 LYS 90 3HZ LYS 90 -2.396 12.579 -7.008 687 HZ2 LYS 90 1HZ LYS 90 -3.607 12.143 -8.105 688 HZ3 LYS 90 2HZ LYS 90 -2.704 13.550 -8.358 689 H THR 91 H THR 91 1.791 14.719 -12.665 690 HA THR 91 HA THR 91 -1.090 15.330 -12.782 691 HB THR 91 HB THR 91 1.268 17.138 -12.278 692 HG1 THR 91 1HG THR 91 -0.106 15.937 -10.598 693 HG21 THR 91 3HG2 THR 91 -1.297 17.753 -13.557 694 HG22 THR 91 1HG2 THR 91 0.202 18.680 -13.523 695 HG23 THR 91 2HG2 THR 91 -0.922 18.771 -12.167 696 H ALA 92 H ALA 92 -1.949 16.171 -14.639 697 HA ALA 92 HA ALA 92 -1.033 15.474 -17.095 698 HB1 ALA 92 1HB ALA 92 -2.827 16.558 -17.892 699 HB2 ALA 92 2HB ALA 92 -3.204 16.841 -16.192 700 HB3 ALA 92 3HB ALA 92 -2.371 18.081 -17.129 701 H GLY 93 H GLY 93 -0.299 18.486 -15.378 702 HA2 GLY 93 1HA GLY 93 2.171 18.763 -16.830 703 HA3 GLY 93 2HA GLY 93 0.974 19.971 -17.273 704 H LYS 94 H LYS 94 2.942 18.708 -14.651 705 HA LYS 94 HA LYS 94 2.593 21.280 -13.254 706 HB2 LYS 94 1HB LYS 94 1.646 19.099 -12.179 707 HB3 LYS 94 2HB LYS 94 3.330 18.758 -11.806 708 HG2 LYS 94 1HG LYS 94 3.513 20.731 -10.478 709 HG3 LYS 94 2HG LYS 94 1.923 21.291 -11.000 710 HD2 LYS 94 1HD LYS 94 0.941 19.257 -9.931 711 HD3 LYS 94 2HD LYS 94 2.542 18.889 -9.285 712 HE2 LYS 94 1HE LYS 94 2.558 21.007 -8.083 713 HE3 LYS 94 2HE LYS 94 0.984 21.420 -8.762 714 HZ1 LYS 94 3HZ LYS 94 0.992 18.874 -7.448 715 HZ2 LYS 94 1HZ LYS 94 -0.053 20.189 -7.247 716 HZ3 LYS 94 2HZ LYS 94 1.412 20.138 -6.404 717 H TYR 95 H TYR 95 4.395 22.395 -12.802 718 HA TYR 95 HA TYR 95 6.586 22.994 -12.699 719 HB2 TYR 95 1HB TYR 95 7.015 20.040 -12.210 720 HB3 TYR 95 2HB TYR 95 8.219 21.298 -11.956 721 HD1 TYR 95 1HD TYR 95 7.419 23.259 -10.354 722 HD2 TYR 95 2HD TYR 95 5.780 19.332 -10.393 723 HE1 TYR 95 1HE TYR 95 6.600 23.585 -8.058 724 HE2 TYR 95 2HE TYR 95 4.955 19.648 -8.097 725 HH TYR 95 HH TYR 95 5.432 22.720 -6.379 726 H ASP 96 H ASP 96 5.388 22.353 -15.238 727 HA ASP 96 HA ASP 96 7.241 20.895 -16.844 728 HB2 ASP 96 1HB ASP 96 4.821 21.235 -17.406 729 HB3 ASP 96 2HB ASP 96 5.191 22.920 -17.761 730 H ARG 97 H ARG 97 6.760 24.301 -16.083 731 HA ARG 97 HA ARG 97 8.634 25.300 -17.970 732 HB2 ARG 97 1HB ARG 97 6.850 26.684 -16.966 733 HB3 ARG 97 2HB ARG 97 7.651 26.563 -15.405 734 HG2 ARG 97 1HG ARG 97 8.262 28.657 -16.248 735 HG3 ARG 97 2HG ARG 97 9.667 27.625 -16.528 736 HD2 ARG 97 1HD ARG 97 8.768 27.237 -18.852 737 HD3 ARG 97 2HD ARG 97 7.595 28.512 -18.524 738 HE ARG 97 HE ARG 97 9.242 30.041 -18.897 739 HH11 ARG 97 2HH1 ARG 97 10.721 26.980 -18.146 740 HH12 ARG 97 1HH1 ARG 97 12.333 27.537 -18.450 741 HH21 ARG 97 2HH2 ARG 97 11.360 30.786 -19.300 742 HH22 ARG 97 1HH2 ARG 97 12.696 29.702 -19.105 743 H VAL 98 H VAL 98 8.861 24.206 -14.643 744 HA VAL 98 HA VAL 98 11.483 25.179 -14.148 745 HB VAL 98 HB VAL 98 10.038 22.877 -12.828 746 HG11 VAL 98 1HG1 VAL 98 12.132 22.536 -12.033 747 HG12 VAL 98 2HG1 VAL 98 12.641 24.196 -12.346 748 HG13 VAL 98 3HG1 VAL 98 11.661 23.826 -10.927 749 HG21 VAL 98 3HG2 VAL 98 9.590 24.603 -11.050 750 HG22 VAL 98 1HG2 VAL 98 10.129 25.821 -12.206 751 HG23 VAL 98 2HG2 VAL 98 8.713 24.832 -12.563 752 H TYR 99 H TYR 99 10.210 22.078 -15.283 753 HA TYR 99 HA TYR 99 12.714 20.744 -15.333 754 HB2 TYR 99 1HB TYR 99 10.613 19.503 -15.276 755 HB3 TYR 99 2HB TYR 99 10.158 20.160 -16.844 756 HD1 TYR 99 1HD TYR 99 12.797 18.108 -15.195 757 HD2 TYR 99 2HD TYR 99 10.689 18.990 -18.784 758 HE1 TYR 99 1HE TYR 99 13.900 16.209 -16.302 759 HE2 TYR 99 2HE TYR 99 11.786 17.093 -19.901 760 HH TYR 99 HH TYR 99 13.953 15.781 -19.595 761 H ASN 100 H ASN 100 10.839 22.494 -17.770 762 HA ASN 100 HA ASN 100 12.247 21.931 -20.055 763 HB2 ASN 100 1HB ASN 100 10.196 23.437 -19.760 764 HB3 ASN 100 2HB ASN 100 11.336 24.730 -19.400 765 HD21 ASN 100 1HD2 ASN 100 10.473 25.802 -21.252 766 HD22 ASN 100 2HD2 ASN 100 11.017 25.374 -22.835 767 H GLY 101 H GLY 101 12.850 24.871 -18.118 768 HA2 GLY 101 1HA GLY 101 15.155 25.747 -19.250 769 HA3 GLY 101 2HA GLY 101 14.846 25.872 -17.525 770 H TYR 102 H TYR 102 15.180 23.596 -16.404 771 HA TYR 102 HA TYR 102 17.837 23.083 -16.205 772 HB2 TYR 102 1HB TYR 102 15.963 22.160 -14.764 773 HB3 TYR 102 2HB TYR 102 15.778 20.888 -15.967 774 HD1 TYR 102 1HD TYR 102 18.893 22.436 -14.632 775 HD2 TYR 102 2HD TYR 102 16.476 18.944 -14.889 776 HE1 TYR 102 1HE TYR 102 20.662 21.137 -13.523 777 HE2 TYR 102 2HE TYR 102 18.238 17.636 -13.778 778 HH TYR 102 HH TYR 102 21.106 18.170 -13.627 779 H VAL 103 H VAL 103 15.607 21.053 -18.116 780 HA VAL 103 HA VAL 103 17.224 19.267 -19.276 781 HB VAL 103 HB VAL 103 15.149 20.909 -20.732 782 HG11 VAL 103 1HG1 VAL 103 16.158 19.958 -22.532 783 HG12 VAL 103 2HG1 VAL 103 16.834 18.627 -21.590 784 HG13 VAL 103 3HG1 VAL 103 15.135 18.601 -22.062 785 HG21 VAL 103 3HG2 VAL 103 14.360 18.228 -20.181 786 HG22 VAL 103 1HG2 VAL 103 14.946 18.963 -18.689 787 HG23 VAL 103 2HG2 VAL 103 13.646 19.731 -19.599 788 H ILE 104 H ILE 104 16.725 22.492 -20.725 789 HA ILE 104 HA ILE 104 18.785 22.229 -22.632 790 HB ILE 104 HB ILE 104 17.509 24.712 -21.483 791 HG12 ILE 104 1HG1 ILE 104 16.578 24.592 -23.971 792 HG13 ILE 104 2HG1 ILE 104 16.903 22.876 -23.755 793 HG21 ILE 104 1HG2 ILE 104 19.291 25.740 -22.393 794 HG22 ILE 104 2HG2 ILE 104 19.708 24.353 -23.398 795 HG23 ILE 104 3HG2 ILE 104 18.436 25.462 -23.910 796 HD11 ILE 104 3HD1 ILE 104 15.133 22.600 -22.436 797 HD12 ILE 104 1HD1 ILE 104 15.468 24.069 -21.520 798 HD13 ILE 104 2HD1 ILE 104 14.603 24.165 -23.054 799 H HIS 105 H HIS 105 18.705 23.748 -19.429 800 HA HIS 105 HA HIS 105 21.159 24.959 -19.339 801 HB2 HIS 105 1HB HIS 105 19.568 25.097 -17.499 802 HB3 HIS 105 2HB HIS 105 19.805 23.390 -17.134 803 HD1 HIS 105 1HD HIS 105 21.709 26.663 -17.077 804 HD2 HIS 105 2HD HIS 105 21.856 22.861 -15.408 805 HE1 HIS 105 1HE HIS 105 23.532 26.758 -15.347 806 HE2 HIS 105 2HE HIS 105 23.660 24.423 -14.410 807 H LEU 106 H LEU 106 20.435 21.535 -19.118 808 HA LEU 106 HA LEU 106 23.044 20.727 -18.304 809 HB2 LEU 106 1HB LEU 106 20.594 19.373 -19.300 810 HB3 LEU 106 2HB LEU 106 22.117 18.491 -19.384 811 HG LEU 106 HG LEU 106 20.682 19.490 -16.935 812 HD11 LEU 106 1HD1 LEU 106 21.653 16.778 -16.917 813 HD12 LEU 106 2HD1 LEU 106 20.629 17.072 -18.322 814 HD13 LEU 106 3HD1 LEU 106 20.012 17.387 -16.700 815 HD21 LEU 106 3HD2 LEU 106 22.694 18.364 -15.771 816 HD22 LEU 106 1HD2 LEU 106 22.874 20.010 -16.378 817 HD23 LEU 106 2HD2 LEU 106 23.535 18.655 -17.294 818 H ASP 107 H ASP 107 21.443 21.171 -21.399 819 HA ASP 107 HA ASP 107 23.076 19.865 -23.150 820 HB2 ASP 107 1HB ASP 107 21.041 21.504 -23.522 821 HB3 ASP 107 2HB ASP 107 22.319 22.681 -23.812 822 H TYR 108 H TYR 108 23.866 22.605 -21.194 823 HA TYR 108 HA TYR 108 25.909 23.858 -22.479 824 HB2 TYR 108 1HB TYR 108 26.588 24.654 -20.425 825 HB3 TYR 108 2HB TYR 108 24.970 24.087 -20.026 826 HD1 TYR 108 1HD TYR 108 24.712 21.844 -18.905 827 HD2 TYR 108 2HD TYR 108 28.493 23.739 -19.374 828 HE1 TYR 108 1HE TYR 108 25.649 20.396 -17.151 829 HE2 TYR 108 2HE TYR 108 29.440 22.295 -17.622 830 HH TYR 108 HH TYR 108 27.452 20.258 -15.646 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -39.289 -16.886 39.009 2 HA2 GLY 1 1HA GLY 1 -39.805 -17.359 36.205 3 HA3 GLY 1 2HA GLY 1 -40.555 -15.898 36.833 4 H SER 2 H SER 2 -37.409 -17.560 36.737 5 HA SER 2 HA SER 2 -35.650 -15.699 37.495 6 HB2 SER 2 1HB SER 2 -35.051 -17.897 36.484 7 HB3 SER 2 2HB SER 2 -35.357 -17.211 34.889 8 HG SER 2 HG SER 2 -33.658 -15.806 35.182 9 H SER 3 H SER 3 -36.889 -15.800 34.150 10 HA SER 3 HA SER 3 -36.759 -14.205 32.491 11 HB2 SER 3 1HB SER 3 -38.080 -12.766 34.798 12 HB3 SER 3 2HB SER 3 -38.032 -12.125 33.157 13 HG SER 3 HG SER 3 -39.784 -13.794 34.142 14 H GLY 4 H GLY 4 -34.278 -14.406 33.717 15 HA2 GLY 4 1HA GLY 4 -33.416 -11.586 33.892 16 HA3 GLY 4 2HA GLY 4 -32.607 -12.911 34.715 17 H SER 5 H SER 5 -30.842 -11.617 33.473 18 HA SER 5 HA SER 5 -30.286 -13.144 31.038 19 HB2 SER 5 1HB SER 5 -30.193 -10.132 31.267 20 HB3 SER 5 2HB SER 5 -29.374 -11.025 29.985 21 HG SER 5 HG SER 5 -31.700 -11.996 29.851 22 H SER 6 H SER 6 -27.925 -12.574 30.308 23 HA SER 6 HA SER 6 -26.250 -12.619 32.731 24 HB2 SER 6 1HB SER 6 -26.263 -14.747 31.473 25 HB3 SER 6 2HB SER 6 -25.692 -13.892 30.040 26 HG SER 6 HG SER 6 -24.206 -14.967 31.857 27 H GLY 7 H GLY 7 -24.211 -11.575 32.669 28 HA2 GLY 7 1HA GLY 7 -24.093 -9.411 30.664 29 HA3 GLY 7 2HA GLY 7 -23.491 -9.277 32.310 30 H ASN 8 H ASN 8 -22.238 -8.983 29.562 31 HA ASN 8 HA ASN 8 -20.317 -11.105 29.379 32 HB2 ASN 8 1HB ASN 8 -20.738 -8.492 27.970 33 HB3 ASN 8 2HB ASN 8 -19.210 -9.346 27.781 34 HD21 ASN 8 1HD2 ASN 8 -19.749 -11.876 27.535 35 HD22 ASN 8 2HD2 ASN 8 -20.837 -12.201 26.233 36 H VAL 9 H VAL 9 -19.666 -7.622 29.697 37 HA VAL 9 HA VAL 9 -17.755 -8.226 31.846 38 HB VAL 9 HB VAL 9 -17.189 -6.466 29.456 39 HG11 VAL 9 1HG1 VAL 9 -15.269 -7.100 31.674 40 HG12 VAL 9 2HG1 VAL 9 -15.161 -5.840 30.443 41 HG13 VAL 9 3HG1 VAL 9 -16.340 -5.702 31.748 42 HG21 VAL 9 3HG2 VAL 9 -15.697 -8.924 30.342 43 HG22 VAL 9 1HG2 VAL 9 -17.019 -8.976 29.176 44 HG23 VAL 9 2HG2 VAL 9 -15.559 -8.055 28.814 45 H ASP 10 H ASP 10 -17.689 -6.769 33.478 46 HA ASP 10 HA ASP 10 -18.956 -4.161 33.129 47 HB2 ASP 10 1HB ASP 10 -19.941 -6.345 34.910 48 HB3 ASP 10 2HB ASP 10 -20.047 -4.684 35.487 49 H SER 11 H SER 11 -17.310 -2.864 33.640 50 HA SER 11 HA SER 11 -16.359 -2.659 36.283 51 HB2 SER 11 1HB SER 11 -15.097 -4.705 35.586 52 HB3 SER 11 2HB SER 11 -14.313 -3.743 34.333 53 HG SER 11 HG SER 11 -12.945 -3.219 35.828 54 H ASN 12 H ASN 12 -14.534 -1.045 36.444 55 HA ASN 12 HA ASN 12 -13.857 0.572 34.217 56 HB2 ASN 12 1HB ASN 12 -16.240 1.331 35.832 57 HB3 ASN 12 2HB ASN 12 -15.134 2.620 35.365 58 HD21 ASN 12 1HD2 ASN 12 -17.898 2.048 34.544 59 HD22 ASN 12 2HD2 ASN 12 -17.857 1.945 32.820 60 H GLN 13 H GLN 13 -12.902 2.746 35.028 61 HA GLN 13 HA GLN 13 -11.650 2.346 37.661 62 HB2 GLN 13 1HB GLN 13 -10.215 1.831 35.543 63 HB3 GLN 13 2HB GLN 13 -10.131 3.581 35.390 64 HG2 GLN 13 1HG GLN 13 -8.832 3.826 37.246 65 HG3 GLN 13 2HG GLN 13 -9.466 2.373 38.017 66 HE21 GLN 13 1HE2 GLN 13 -7.487 1.497 38.484 67 HE22 GLN 13 2HE2 GLN 13 -6.407 0.901 37.275 68 H ASN 14 H ASN 14 -10.362 4.498 38.200 69 HA ASN 14 HA ASN 14 -11.950 6.835 37.428 70 HB2 ASN 14 1HB ASN 14 -11.885 7.519 39.905 71 HB3 ASN 14 2HB ASN 14 -13.042 6.277 39.437 72 HD21 ASN 14 1HD2 ASN 14 -9.901 6.836 40.901 73 HD22 ASN 14 2HD2 ASN 14 -9.865 5.377 41.826 74 H LYS 15 H LYS 15 -10.905 8.844 38.642 75 HA LYS 15 HA LYS 15 -8.004 8.652 38.171 76 HB2 LYS 15 1HB LYS 15 -9.619 10.201 36.770 77 HB3 LYS 15 2HB LYS 15 -9.453 11.267 38.159 78 HG2 LYS 15 1HG LYS 15 -7.202 11.622 37.787 79 HG3 LYS 15 2HG LYS 15 -7.020 10.141 36.843 80 HD2 LYS 15 1HD LYS 15 -8.391 11.159 35.053 81 HD3 LYS 15 2HD LYS 15 -8.459 12.654 35.990 82 HE2 LYS 15 1HE LYS 15 -5.914 12.601 35.954 83 HE3 LYS 15 2HE LYS 15 -6.065 11.350 34.721 84 HZ1 LYS 15 3HZ LYS 15 -6.690 14.203 34.560 85 HZ2 LYS 15 1HZ LYS 15 -7.640 13.137 33.652 86 HZ3 LYS 15 2HZ LYS 15 -5.966 13.190 33.414 87 H ALA 16 H ALA 16 -6.781 10.463 39.379 88 HA ALA 16 HA ALA 16 -6.734 9.965 42.065 89 HB1 ALA 16 1HB ALA 16 -5.126 11.550 42.200 90 HB2 ALA 16 2HB ALA 16 -5.222 11.462 40.440 91 HB3 ALA 16 3HB ALA 16 -6.070 12.743 41.307 92 H SER 17 H SER 17 -7.747 10.681 43.868 93 HA SER 17 HA SER 17 -10.339 11.641 43.768 94 HB2 SER 17 1HB SER 17 -8.279 11.606 45.961 95 HB3 SER 17 2HB SER 17 -9.875 12.305 46.232 96 HG SER 17 HG SER 17 -9.328 9.854 46.545 97 H MET 18 H MET 18 -7.525 13.514 44.920 98 HA MET 18 HA MET 18 -8.549 15.876 43.560 99 HB2 MET 18 1HB MET 18 -8.401 15.549 46.525 100 HB3 MET 18 2HB MET 18 -8.025 17.121 45.832 101 HG2 MET 18 1HG MET 18 -10.548 15.699 45.096 102 HG3 MET 18 2HG MET 18 -10.433 16.617 46.595 103 HE1 MET 18 3HE MET 18 -9.354 18.873 46.663 104 HE2 MET 18 1HE MET 18 -9.674 20.159 45.498 105 HE3 MET 18 2HE MET 18 -10.993 19.494 46.462 106 H LEU 19 H LEU 19 -6.985 17.660 43.552 107 HA LEU 19 HA LEU 19 -4.222 16.682 43.856 108 HB2 LEU 19 1HB LEU 19 -5.247 17.146 41.503 109 HB3 LEU 19 2HB LEU 19 -4.967 18.835 41.923 110 HG LEU 19 HG LEU 19 -2.746 16.821 42.035 111 HD11 LEU 19 1HD1 LEU 19 -2.982 16.511 39.835 112 HD12 LEU 19 2HD1 LEU 19 -2.369 18.157 39.681 113 HD13 LEU 19 3HD1 LEU 19 -4.107 17.859 39.669 114 HD21 LEU 19 3HD2 LEU 19 -1.358 18.784 41.729 115 HD22 LEU 19 1HD2 LEU 19 -2.435 19.013 43.106 116 HD23 LEU 19 2HD2 LEU 19 -2.790 19.801 41.569 117 H GLN 20 H GLN 20 -3.042 17.741 45.297 118 HA GLN 20 HA GLN 20 -3.970 20.348 46.248 119 HB2 GLN 20 1HB GLN 20 -3.504 18.442 47.845 120 HB3 GLN 20 2HB GLN 20 -1.801 18.623 47.442 121 HG2 GLN 20 1HG GLN 20 -1.807 20.886 48.298 122 HG3 GLN 20 2HG GLN 20 -3.535 20.778 48.630 123 HE21 GLN 20 1HE2 GLN 20 -3.260 21.178 50.814 124 HE22 GLN 20 2HE2 GLN 20 -2.583 20.010 51.892 125 H ALA 21 H ALA 21 -2.536 22.117 46.485 126 HA ALA 21 HA ALA 21 -0.954 22.728 44.318 127 HB1 ALA 21 1HB ALA 21 0.171 24.267 46.273 128 HB2 ALA 21 2HB ALA 21 -1.309 24.658 45.396 129 HB3 ALA 21 3HB ALA 21 -1.399 23.872 46.972 130 H ARG 22 H ARG 22 1.289 22.839 43.959 131 HA ARG 22 HA ARG 22 3.245 21.902 45.753 132 HB2 ARG 22 1HB ARG 22 2.014 19.752 45.247 133 HB3 ARG 22 2HB ARG 22 2.573 19.911 43.587 134 HG2 ARG 22 1HG ARG 22 4.908 19.899 44.432 135 HG3 ARG 22 2HG ARG 22 4.274 19.578 46.047 136 HD2 ARG 22 1HD ARG 22 3.351 17.489 45.344 137 HD3 ARG 22 2HD ARG 22 3.709 17.840 43.653 138 HE ARG 22 HE ARG 22 5.547 16.873 45.662 139 HH11 ARG 22 2HH1 ARG 22 5.179 18.400 42.555 140 HH12 ARG 22 1HH1 ARG 22 6.758 17.951 42.002 141 HH21 ARG 22 2HH2 ARG 22 7.628 16.277 44.946 142 HH22 ARG 22 1HH2 ARG 22 8.150 16.743 43.362 143 H LEU 23 H LEU 23 5.266 22.379 45.023 144 HA LEU 23 HA LEU 23 5.576 23.043 42.177 145 HB2 LEU 23 1HB LEU 23 6.567 25.101 42.606 146 HB3 LEU 23 2HB LEU 23 5.196 25.052 43.712 147 HG LEU 23 HG LEU 23 6.991 24.189 45.416 148 HD11 LEU 23 1HD1 LEU 23 9.159 24.452 44.931 149 HD12 LEU 23 2HD1 LEU 23 8.886 25.975 44.085 150 HD13 LEU 23 3HD1 LEU 23 8.626 24.445 43.250 151 HD21 LEU 23 3HD2 LEU 23 5.686 26.498 45.097 152 HD22 LEU 23 1HD2 LEU 23 7.334 27.070 44.839 153 HD23 LEU 23 2HD2 LEU 23 6.909 26.255 46.344 154 H ASN 24 H ASN 24 7.554 22.586 41.284 155 HA ASN 24 HA ASN 24 9.260 20.826 42.844 156 HB2 ASN 24 1HB ASN 24 9.251 21.569 39.912 157 HB3 ASN 24 2HB ASN 24 10.406 20.455 40.639 158 HD21 ASN 24 1HD2 ASN 24 9.667 18.801 39.280 159 HD22 ASN 24 2HD2 ASN 24 8.171 17.989 39.577 160 H ASP 25 H ASP 25 11.213 21.332 43.624 161 HA ASP 25 HA ASP 25 12.136 23.789 44.162 162 HB2 ASP 25 1HB ASP 25 14.280 22.878 44.561 163 HB3 ASP 25 2HB ASP 25 13.161 21.541 44.811 164 H GLU 26 H GLU 26 12.262 25.492 42.849 165 HA GLU 26 HA GLU 26 13.344 25.139 40.147 166 HB2 GLU 26 1HB GLU 26 11.096 26.309 40.643 167 HB3 GLU 26 2HB GLU 26 12.080 27.657 41.195 168 HG2 GLU 26 1HG GLU 26 13.232 27.448 38.891 169 HG3 GLU 26 2HG GLU 26 11.793 26.534 38.443 170 H ALA 27 H ALA 27 15.227 26.023 39.518 171 HA ALA 27 HA ALA 27 17.173 27.219 39.554 172 HB1 ALA 27 1HB ALA 27 17.250 29.282 40.555 173 HB2 ALA 27 2HB ALA 27 15.507 29.028 40.460 174 HB3 ALA 27 3HB ALA 27 16.358 28.747 41.979 175 H GLY 28 H GLY 28 17.014 24.734 40.814 176 HA2 GLY 28 1HA GLY 28 19.002 25.101 42.963 177 HA3 GLY 28 2HA GLY 28 17.681 23.957 43.146 178 H GLY 29 H GLY 29 20.394 24.743 40.980 179 HA2 GLY 29 1HA GLY 29 22.017 23.311 40.145 180 HA3 GLY 29 2HA GLY 29 21.230 21.982 40.983 181 H THR 30 H THR 30 21.652 20.754 39.036 182 HA THR 30 HA THR 30 19.486 21.094 37.093 183 HB THR 30 HB THR 30 21.008 20.556 35.218 184 HG1 THR 30 1HG THR 30 22.719 19.582 36.303 185 HG21 THR 30 3HG2 THR 30 21.742 23.019 36.805 186 HG22 THR 30 1HG2 THR 30 20.447 22.881 35.617 187 HG23 THR 30 2HG2 THR 30 22.130 22.760 35.104 188 H ARG 31 H ARG 31 18.499 19.233 36.575 189 HA ARG 31 HA ARG 31 19.716 16.739 37.552 190 HB2 ARG 31 1HB ARG 31 17.477 17.525 38.485 191 HB3 ARG 31 2HB ARG 31 16.803 17.160 36.902 192 HG2 ARG 31 1HG ARG 31 17.292 14.851 37.129 193 HG3 ARG 31 2HG ARG 31 18.277 15.137 38.566 194 HD2 ARG 31 1HD ARG 31 15.330 15.740 38.407 195 HD3 ARG 31 2HD ARG 31 15.985 14.218 39.009 196 HE ARG 31 HE ARG 31 17.252 16.158 40.466 197 HH11 ARG 31 2HH1 ARG 31 13.943 15.251 39.876 198 HH12 ARG 31 1HH1 ARG 31 13.381 15.798 41.421 199 HH21 ARG 31 2HH2 ARG 31 16.524 16.883 42.503 200 HH22 ARG 31 1HH2 ARG 31 14.850 16.727 42.914 201 H LEU 32 H LEU 32 19.861 14.953 36.237 202 HA LEU 32 HA LEU 32 20.469 15.149 33.620 203 HB2 LEU 32 1HB LEU 32 19.244 12.914 35.179 204 HB3 LEU 32 2HB LEU 32 19.524 12.725 33.449 205 HG LEU 32 HG LEU 32 21.683 13.394 35.445 206 HD11 LEU 32 1HD1 LEU 32 20.430 10.851 34.740 207 HD12 LEU 32 2HD1 LEU 32 21.457 11.272 36.111 208 HD13 LEU 32 3HD1 LEU 32 22.185 10.862 34.558 209 HD21 LEU 32 3HD2 LEU 32 23.154 12.645 33.586 210 HD22 LEU 32 1HD2 LEU 32 22.243 14.111 33.226 211 HD23 LEU 32 2HD2 LEU 32 21.731 12.566 32.547 212 H LEU 33 H LEU 33 19.335 16.261 32.148 213 HA LEU 33 HA LEU 33 16.449 15.775 31.920 214 HB2 LEU 33 1HB LEU 33 18.240 18.020 31.083 215 HB3 LEU 33 2HB LEU 33 16.674 17.795 30.307 216 HG LEU 33 HG LEU 33 16.977 18.111 33.285 217 HD11 LEU 33 1HD1 LEU 33 16.884 20.169 31.128 218 HD12 LEU 33 2HD1 LEU 33 17.815 20.147 32.626 219 HD13 LEU 33 3HD1 LEU 33 16.085 20.486 32.669 220 HD21 LEU 33 3HD2 LEU 33 14.888 17.114 32.268 221 HD22 LEU 33 1HD2 LEU 33 14.612 18.686 31.517 222 HD23 LEU 33 2HD2 LEU 33 14.654 18.543 33.275 223 H ARG 34 H ARG 34 15.550 14.926 30.111 224 HA ARG 34 HA ARG 34 17.124 14.611 27.692 225 HB2 ARG 34 1HB ARG 34 16.047 12.227 29.210 226 HB3 ARG 34 2HB ARG 34 16.726 12.171 27.589 227 HG2 ARG 34 1HG ARG 34 18.884 12.871 28.435 228 HG3 ARG 34 2HG ARG 34 18.215 13.026 30.061 229 HD2 ARG 34 1HD ARG 34 17.686 10.620 30.044 230 HD3 ARG 34 2HD ARG 34 18.421 10.487 28.447 231 HE ARG 34 HE ARG 34 20.257 11.621 30.268 232 HH11 ARG 34 2HH1 ARG 34 18.736 8.596 29.456 233 HH12 ARG 34 1HH1 ARG 34 20.044 7.629 30.052 234 HH21 ARG 34 2HH2 ARG 34 21.986 10.358 31.056 235 HH22 ARG 34 1HH2 ARG 34 21.892 8.632 30.963 236 H VAL 35 H VAL 35 15.859 14.987 25.999 237 HA VAL 35 HA VAL 35 12.977 14.419 26.238 238 HB VAL 35 HB VAL 35 13.336 16.832 26.371 239 HG11 VAL 35 1HG1 VAL 35 15.500 16.649 24.968 240 HG12 VAL 35 2HG1 VAL 35 14.424 16.829 23.582 241 HG13 VAL 35 3HG1 VAL 35 14.501 18.093 24.810 242 HG21 VAL 35 3HG2 VAL 35 11.942 15.588 24.075 243 HG22 VAL 35 1HG2 VAL 35 11.304 16.562 25.399 244 HG23 VAL 35 2HG2 VAL 35 12.123 17.342 24.046 245 H HIS 36 H HIS 36 12.461 12.840 24.884 246 HA HIS 36 HA HIS 36 12.904 13.014 22.098 247 HB2 HIS 36 1HB HIS 36 14.297 10.901 21.915 248 HB3 HIS 36 2HB HIS 36 15.149 12.333 22.484 249 HD1 HIS 36 1HD HIS 36 14.117 8.923 23.504 250 HD2 HIS 36 2HD HIS 36 15.880 12.267 25.229 251 HE1 HIS 36 1HE HIS 36 15.073 8.127 25.689 252 HE2 HIS 36 2HE HIS 36 16.060 10.185 26.754 253 H HIS 37 H HIS 37 10.967 12.327 21.475 254 HA HIS 37 HA HIS 37 9.639 10.173 22.920 255 HB2 HIS 37 1HB HIS 37 8.777 12.268 20.975 256 HB3 HIS 37 2HB HIS 37 7.818 10.796 21.099 257 HD1 HIS 37 1HD HIS 37 6.315 10.548 23.120 258 HD2 HIS 37 2HD HIS 37 8.825 13.850 23.356 259 HE1 HIS 37 1HE HIS 37 5.500 11.873 25.095 260 HE2 HIS 37 2HE HIS 37 6.980 13.909 25.167 261 H GLU 38 H GLU 38 10.214 10.959 19.484 262 HA GLU 38 HA GLU 38 11.083 8.268 18.941 263 HB2 GLU 38 1HB GLU 38 8.366 9.228 18.156 264 HB3 GLU 38 2HB GLU 38 9.246 8.192 17.040 265 HG2 GLU 38 1HG GLU 38 8.381 7.562 19.845 266 HG3 GLU 38 2HG GLU 38 7.852 6.798 18.347 267 H SER 39 H SER 39 11.968 8.018 16.827 268 HA SER 39 HA SER 39 12.149 10.403 15.159 269 HB2 SER 39 1HB SER 39 14.038 10.703 16.638 270 HB3 SER 39 2HB SER 39 14.556 9.037 16.384 271 HG SER 39 HG SER 39 14.279 10.668 14.138 272 H ASP 40 H ASP 40 12.745 9.988 13.015 273 HA ASP 40 HA ASP 40 13.044 7.158 12.276 274 HB2 ASP 40 1HB ASP 40 11.035 9.139 11.240 275 HB3 ASP 40 2HB ASP 40 11.576 7.799 10.232 276 H THR 41 H THR 41 15.208 7.381 11.800 277 HA THR 41 HA THR 41 16.076 9.467 9.972 278 HB THR 41 HB THR 41 18.317 8.707 10.365 279 HG1 THR 41 1HG THR 41 17.148 6.493 11.733 280 HG21 THR 41 3HG2 THR 41 18.327 8.630 12.934 281 HG22 THR 41 1HG2 THR 41 16.576 8.800 12.813 282 HG23 THR 41 2HG2 THR 41 17.632 10.053 12.158 283 H GLU 42 H GLU 42 14.355 8.164 8.525 284 HA GLU 42 HA GLU 42 15.968 6.405 6.799 285 HB2 GLU 42 1HB GLU 42 13.079 6.137 7.610 286 HB3 GLU 42 2HB GLU 42 13.723 5.342 6.180 287 HG2 GLU 42 1HG GLU 42 14.954 3.852 7.385 288 HG3 GLU 42 2HG GLU 42 15.148 4.948 8.752 289 H GLU 43 H GLU 43 16.516 7.793 5.205 290 HA GLU 43 HA GLU 43 14.571 9.651 4.121 291 HB2 GLU 43 1HB GLU 43 17.392 9.112 3.183 292 HB3 GLU 43 2HB GLU 43 16.391 10.497 2.771 293 HG2 GLU 43 1HG GLU 43 16.701 11.504 4.796 294 HG3 GLU 43 2HG GLU 43 16.977 9.980 5.637 295 H ARG 44 H ARG 44 16.746 7.259 2.607 296 HA ARG 44 HA ARG 44 16.536 6.051 0.681 297 HB2 ARG 44 1HB ARG 44 13.802 5.749 1.919 298 HB3 ARG 44 2HB ARG 44 14.298 4.859 0.486 299 HG2 ARG 44 1HG ARG 44 16.053 4.735 2.876 300 HG3 ARG 44 2HG ARG 44 14.529 3.845 2.908 301 HD2 ARG 44 1HD ARG 44 15.256 2.926 0.622 302 HD3 ARG 44 2HD ARG 44 16.859 3.524 1.046 303 HE ARG 44 HE ARG 44 15.906 1.979 3.173 304 HH11 ARG 44 2HH1 ARG 44 16.912 1.596 -0.138 305 HH12 ARG 44 1HH1 ARG 44 17.458 -0.034 0.079 306 HH21 ARG 44 2HH2 ARG 44 16.621 -0.166 3.472 307 HH22 ARG 44 1HH2 ARG 44 17.291 -1.036 2.133 308 H GLY 45 H GLY 45 15.979 8.926 0.492 309 HA2 GLY 45 1HA GLY 45 15.665 10.034 -1.614 310 HA3 GLY 45 2HA GLY 45 14.445 8.835 -2.018 311 H PHE 46 H PHE 46 13.205 9.037 0.656 312 HA PHE 46 HA PHE 46 11.085 10.627 0.220 313 HB2 PHE 46 1HB PHE 46 10.932 9.370 2.168 314 HB3 PHE 46 2HB PHE 46 12.497 9.914 2.763 315 HD1 PHE 46 1HD PHE 46 8.999 10.981 2.195 316 HD2 PHE 46 2HD PHE 46 12.665 11.737 4.222 317 HE1 PHE 46 1HE PHE 46 7.875 12.664 3.595 318 HE2 PHE 46 2HE PHE 46 11.546 13.420 5.625 319 HZ PHE 46 HZ PHE 46 9.148 13.885 5.313 320 H LEU 47 H LEU 47 13.982 11.744 1.974 321 HA LEU 47 HA LEU 47 13.115 14.472 1.969 322 HB2 LEU 47 1HB LEU 47 15.534 12.991 2.852 323 HB3 LEU 47 2HB LEU 47 15.677 14.728 2.592 324 HG LEU 47 HG LEU 47 13.571 13.568 4.393 325 HD11 LEU 47 1HD1 LEU 47 15.474 14.521 6.085 326 HD12 LEU 47 2HD1 LEU 47 16.460 13.760 4.837 327 HD13 LEU 47 3HD1 LEU 47 15.237 12.819 5.690 328 HD21 LEU 47 3HD2 LEU 47 14.676 16.107 5.139 329 HD22 LEU 47 1HD2 LEU 47 13.014 15.691 4.717 330 HD23 LEU 47 2HD2 LEU 47 14.156 16.147 3.453 331 H GLU 48 H GLU 48 15.537 12.611 0.166 332 HA GLU 48 HA GLU 48 16.801 14.547 -1.272 333 HB2 GLU 48 1HB GLU 48 17.320 12.157 -1.463 334 HB3 GLU 48 2HB GLU 48 15.819 11.894 -2.339 335 HG2 GLU 48 1HG GLU 48 16.591 13.188 -4.191 336 HG3 GLU 48 2HG GLU 48 18.023 13.700 -3.299 337 H LYS 49 H LYS 49 13.654 13.096 -2.035 338 HA LYS 49 HA LYS 49 13.223 14.595 -4.402 339 HB2 LYS 49 1HB LYS 49 12.051 12.438 -3.593 340 HB3 LYS 49 2HB LYS 49 11.013 13.517 -2.670 341 HG2 LYS 49 1HG LYS 49 10.037 14.412 -4.555 342 HG3 LYS 49 2HG LYS 49 11.396 13.976 -5.593 343 HD2 LYS 49 1HD LYS 49 10.700 11.792 -5.814 344 HD3 LYS 49 2HD LYS 49 9.813 11.809 -4.289 345 HE2 LYS 49 1HE LYS 49 8.181 13.377 -5.356 346 HE3 LYS 49 2HE LYS 49 9.018 13.116 -6.886 347 HZ1 LYS 49 3HZ LYS 49 7.528 11.128 -5.273 348 HZ2 LYS 49 1HZ LYS 49 8.563 10.687 -6.537 349 HZ3 LYS 49 2HZ LYS 49 7.202 11.640 -6.852 350 H ALA 50 H ALA 50 11.793 14.931 -1.149 351 HA ALA 50 HA ALA 50 10.255 17.130 -1.413 352 HB1 ALA 50 1HB ALA 50 12.180 16.825 0.882 353 HB2 ALA 50 2HB ALA 50 10.602 17.612 0.892 354 HB3 ALA 50 3HB ALA 50 10.713 15.862 0.700 355 H ALA 51 H ALA 51 13.783 17.176 -0.999 356 HA ALA 51 HA ALA 51 14.145 19.939 -0.924 357 HB1 ALA 51 1HB ALA 51 15.982 18.598 -0.330 358 HB2 ALA 51 2HB ALA 51 15.931 17.709 -1.853 359 HB3 ALA 51 3HB ALA 51 16.456 19.392 -1.831 360 H VAL 52 H VAL 52 14.439 17.767 -3.741 361 HA VAL 52 HA VAL 52 14.921 19.656 -5.692 362 HB VAL 52 HB VAL 52 13.253 17.154 -5.986 363 HG11 VAL 52 1HG1 VAL 52 13.406 19.110 -7.811 364 HG12 VAL 52 2HG1 VAL 52 14.863 18.206 -8.228 365 HG13 VAL 52 3HG1 VAL 52 13.293 17.402 -8.235 366 HG21 VAL 52 3HG2 VAL 52 15.270 16.351 -5.216 367 HG22 VAL 52 1HG2 VAL 52 15.551 16.374 -6.957 368 HG23 VAL 52 2HG2 VAL 52 16.194 17.666 -5.943 369 H LYS 53 H LYS 53 11.727 18.320 -4.825 370 HA LYS 53 HA LYS 53 10.203 19.993 -6.452 371 HB2 LYS 53 1HB LYS 53 9.662 18.380 -4.004 372 HB3 LYS 53 2HB LYS 53 8.446 19.547 -4.508 373 HG2 LYS 53 1HG LYS 53 9.566 17.416 -6.312 374 HG3 LYS 53 2HG LYS 53 8.095 17.228 -5.354 375 HD2 LYS 53 1HD LYS 53 7.333 19.406 -6.508 376 HD3 LYS 53 2HD LYS 53 8.622 19.066 -7.665 377 HE2 LYS 53 1HE LYS 53 6.692 18.109 -8.600 378 HE3 LYS 53 2HE LYS 53 7.581 16.756 -7.902 379 HZ1 LYS 53 3HZ LYS 53 5.189 18.107 -6.787 380 HZ2 LYS 53 1HZ LYS 53 6.129 17.012 -5.904 381 HZ3 LYS 53 2HZ LYS 53 5.323 16.500 -7.300 382 H LYS 54 H LYS 54 11.213 20.412 -3.078 383 HA LYS 54 HA LYS 54 9.850 22.701 -2.409 384 HB2 LYS 54 1HB LYS 54 12.475 21.548 -1.616 385 HB3 LYS 54 2HB LYS 54 12.152 23.213 -1.151 386 HG2 LYS 54 1HG LYS 54 9.876 22.153 -0.316 387 HG3 LYS 54 2HG LYS 54 10.876 20.701 -0.230 388 HD2 LYS 54 1HD LYS 54 11.864 23.265 0.949 389 HD3 LYS 54 2HD LYS 54 10.697 22.282 1.836 390 HE2 LYS 54 1HE LYS 54 12.645 21.398 2.638 391 HE3 LYS 54 2HE LYS 54 12.391 20.351 1.243 392 HZ1 LYS 54 3HZ LYS 54 14.674 21.170 1.381 393 HZ2 LYS 54 1HZ LYS 54 14.121 22.765 1.272 394 HZ3 LYS 54 2HZ LYS 54 13.911 21.707 -0.030 395 H MET 55 H MET 55 13.033 22.520 -3.999 396 HA MET 55 HA MET 55 13.480 25.250 -4.283 397 HB2 MET 55 1HB MET 55 14.311 23.021 -6.149 398 HB3 MET 55 2HB MET 55 15.000 24.639 -6.127 399 HG2 MET 55 1HG MET 55 15.024 23.074 -3.606 400 HG3 MET 55 2HG MET 55 16.143 22.615 -4.887 401 HE1 MET 55 3HE MET 55 18.157 23.224 -5.038 402 HE2 MET 55 1HE MET 55 18.204 24.815 -5.799 403 HE3 MET 55 2HE MET 55 19.024 24.550 -4.260 404 H ALA 56 H ALA 56 11.828 23.000 -6.476 405 HA ALA 56 HA ALA 56 11.347 24.650 -8.624 406 HB1 ALA 56 1HB ALA 56 9.016 23.238 -8.488 407 HB2 ALA 56 2HB ALA 56 10.526 22.642 -9.178 408 HB3 ALA 56 3HB ALA 56 10.102 22.248 -7.512 409 H LYS 57 H LYS 57 9.311 24.267 -5.728 410 HA LYS 57 HA LYS 57 7.253 25.975 -6.352 411 HB2 LYS 57 1HB LYS 57 8.576 25.616 -3.657 412 HB3 LYS 57 2HB LYS 57 6.988 26.327 -3.918 413 HG2 LYS 57 1HG LYS 57 6.044 24.293 -4.540 414 HG3 LYS 57 2HG LYS 57 7.614 23.558 -4.869 415 HD2 LYS 57 1HD LYS 57 6.958 22.605 -2.838 416 HD3 LYS 57 2HD LYS 57 8.072 23.890 -2.365 417 HE2 LYS 57 1HE LYS 57 6.387 25.227 -1.535 418 HE3 LYS 57 2HE LYS 57 5.152 24.478 -2.547 419 HZ1 LYS 57 3HZ LYS 57 6.474 22.891 -0.453 420 HZ2 LYS 57 1HZ LYS 57 4.931 22.707 -1.123 421 HZ3 LYS 57 2HZ LYS 57 5.234 23.960 -0.028 422 H ALA 58 H ALA 58 10.318 26.838 -4.759 423 HA ALA 58 HA ALA 58 9.840 29.573 -4.486 424 HB1 ALA 58 1HB ALA 58 11.706 29.131 -3.325 425 HB2 ALA 58 2HB ALA 58 12.179 27.811 -4.395 426 HB3 ALA 58 3HB ALA 58 12.535 29.479 -4.842 427 H ILE 59 H ILE 59 11.070 27.720 -7.214 428 HA ILE 59 HA ILE 59 11.869 29.936 -8.789 429 HB ILE 59 HB ILE 59 11.051 27.169 -9.681 430 HG12 ILE 59 1HG1 ILE 59 13.800 28.323 -9.159 431 HG13 ILE 59 2HG1 ILE 59 12.949 27.220 -8.083 432 HG21 ILE 59 1HG2 ILE 59 11.275 29.326 -11.284 433 HG22 ILE 59 2HG2 ILE 59 12.944 28.759 -11.279 434 HG23 ILE 59 3HG2 ILE 59 11.647 27.680 -11.794 435 HD11 ILE 59 3HD1 ILE 59 13.166 26.223 -10.807 436 HD12 ILE 59 1HD1 ILE 59 14.725 26.507 -10.034 437 HD13 ILE 59 2HD1 ILE 59 13.545 25.439 -9.274 438 H MET 60 H MET 60 8.896 27.997 -8.699 439 HA MET 60 HA MET 60 7.481 28.944 -10.803 440 HB2 MET 60 1HB MET 60 6.341 28.645 -8.020 441 HB3 MET 60 2HB MET 60 5.446 28.561 -9.531 442 HG2 MET 60 1HG MET 60 6.973 26.594 -10.109 443 HG3 MET 60 2HG MET 60 7.400 26.596 -8.399 444 HE1 MET 60 3HE MET 60 4.750 23.761 -9.721 445 HE2 MET 60 1HE MET 60 4.634 25.056 -10.914 446 HE3 MET 60 2HE MET 60 6.216 24.507 -10.360 447 H ALA 61 H ALA 61 7.781 30.573 -7.656 448 HA ALA 61 HA ALA 61 6.330 32.888 -8.586 449 HB1 ALA 61 1HB ALA 61 5.970 32.464 -6.327 450 HB2 ALA 61 2HB ALA 61 7.678 32.156 -6.013 451 HB3 ALA 61 3HB ALA 61 7.120 33.801 -6.313 452 H ASP 62 H ASP 62 9.680 32.226 -7.571 453 HA ASP 62 HA ASP 62 10.509 34.740 -8.840 454 HB2 ASP 62 1HB ASP 62 11.763 32.976 -6.752 455 HB3 ASP 62 2HB ASP 62 12.725 34.157 -7.637 456 HA PRO 63 HA PRO 63 11.830 32.016 -12.178 457 HB2 PRO 63 1HB PRO 63 12.283 34.032 -13.939 458 HB3 PRO 63 2HB PRO 63 10.669 33.391 -13.607 459 HG2 PRO 63 1HG PRO 63 11.990 35.849 -12.524 460 HG3 PRO 63 2HG PRO 63 10.326 35.634 -13.098 461 HD2 PRO 63 1HD PRO 63 10.970 35.640 -10.468 462 HD3 PRO 63 2HD PRO 63 9.636 34.669 -11.122 463 H ASN 64 H ASN 64 13.460 35.015 -11.194 464 HA ASN 64 HA ASN 64 15.915 34.666 -12.391 465 HB2 ASN 64 1HB ASN 64 15.054 35.979 -9.839 466 HB3 ASN 64 2HB ASN 64 16.771 35.855 -10.209 467 HD21 ASN 64 1HD2 ASN 64 14.949 38.176 -10.023 468 HD22 ASN 64 2HD2 ASN 64 15.118 39.009 -11.528 469 H LYS 65 H LYS 65 14.692 33.219 -9.419 470 HA LYS 65 HA LYS 65 17.077 32.080 -8.494 471 HB2 LYS 65 1HB LYS 65 14.317 30.891 -8.192 472 HB3 LYS 65 2HB LYS 65 15.700 30.650 -7.134 473 HG2 LYS 65 1HG LYS 65 14.720 33.423 -7.530 474 HG3 LYS 65 2HG LYS 65 13.757 32.329 -6.533 475 HD2 LYS 65 1HD LYS 65 15.133 33.178 -4.924 476 HD3 LYS 65 2HD LYS 65 16.130 31.823 -5.460 477 HE2 LYS 65 1HE LYS 65 17.098 33.553 -7.144 478 HE3 LYS 65 2HE LYS 65 16.430 34.745 -6.030 479 HZ1 LYS 65 3HZ LYS 65 18.147 34.445 -4.687 480 HZ2 LYS 65 1HZ LYS 65 18.841 33.389 -5.814 481 HZ3 LYS 65 2HZ LYS 65 17.849 32.783 -4.585 482 H ALA 66 H ALA 66 14.742 30.969 -10.876 483 HA ALA 66 HA ALA 66 15.268 28.351 -11.232 484 HB1 ALA 66 1HB ALA 66 13.878 30.031 -12.666 485 HB2 ALA 66 2HB ALA 66 15.325 30.065 -13.674 486 HB3 ALA 66 3HB ALA 66 14.486 28.541 -13.388 487 H ASP 67 H ASP 67 17.196 30.905 -12.816 488 HA ASP 67 HA ASP 67 19.125 29.384 -14.008 489 HB2 ASP 67 1HB ASP 67 19.896 31.894 -12.545 490 HB3 ASP 67 2HB ASP 67 20.474 31.301 -14.099 491 H GLU 68 H GLU 68 19.271 30.655 -10.681 492 HA GLU 68 HA GLU 68 21.699 29.457 -9.974 493 HB2 GLU 68 1HB GLU 68 19.342 30.166 -8.219 494 HB3 GLU 68 2HB GLU 68 20.954 29.779 -7.633 495 HG2 GLU 68 1HG GLU 68 20.425 32.041 -9.532 496 HG3 GLU 68 2HG GLU 68 20.353 32.227 -7.781 497 H VAL 69 H VAL 69 18.427 28.388 -9.026 498 HA VAL 69 HA VAL 69 18.976 26.019 -7.833 499 HB VAL 69 HB VAL 69 16.726 26.485 -9.795 500 HG11 VAL 69 1HG1 VAL 69 15.662 24.771 -8.092 501 HG12 VAL 69 2HG1 VAL 69 16.592 24.223 -9.488 502 HG13 VAL 69 3HG1 VAL 69 17.345 24.283 -7.893 503 HG21 VAL 69 3HG2 VAL 69 15.415 27.164 -7.895 504 HG22 VAL 69 1HG2 VAL 69 16.748 26.808 -6.797 505 HG23 VAL 69 2HG2 VAL 69 16.884 28.138 -7.946 506 H TYR 70 H TYR 70 18.384 26.358 -11.336 507 HA TYR 70 HA TYR 70 18.798 23.800 -12.171 508 HB2 TYR 70 1HB TYR 70 19.715 26.351 -13.511 509 HB3 TYR 70 2HB TYR 70 19.672 24.781 -14.305 510 HD1 TYR 70 1HD TYR 70 17.128 23.674 -13.346 511 HD2 TYR 70 2HD TYR 70 18.092 27.630 -14.580 512 HE1 TYR 70 1HE TYR 70 14.777 24.048 -13.964 513 HE2 TYR 70 2HE TYR 70 15.744 28.015 -15.200 514 HH TYR 70 HH TYR 70 13.450 25.475 -15.378 515 H LYS 71 H LYS 71 21.364 26.262 -11.892 516 HA LYS 71 HA LYS 71 23.514 24.586 -12.490 517 HB2 LYS 71 1HB LYS 71 23.228 27.169 -11.011 518 HB3 LYS 71 2HB LYS 71 24.769 26.324 -10.958 519 HG2 LYS 71 1HG LYS 71 24.967 26.427 -13.351 520 HG3 LYS 71 2HG LYS 71 23.352 27.126 -13.490 521 HD2 LYS 71 1HD LYS 71 24.613 29.030 -13.610 522 HD3 LYS 71 2HD LYS 71 24.379 28.936 -11.863 523 HE2 LYS 71 1HE LYS 71 26.675 29.368 -12.181 524 HE3 LYS 71 2HE LYS 71 26.563 27.655 -11.779 525 HZ1 LYS 71 3HZ LYS 71 26.954 27.045 -13.987 526 HZ2 LYS 71 1HZ LYS 71 28.058 28.295 -13.702 527 HZ3 LYS 71 2HZ LYS 71 26.646 28.599 -14.581 528 H LYS 72 H LYS 72 22.056 25.398 -9.361 529 HA LYS 72 HA LYS 72 23.822 24.105 -7.670 530 HB2 LYS 72 1HB LYS 72 20.844 24.527 -7.484 531 HB3 LYS 72 2HB LYS 72 21.762 23.772 -6.187 532 HG2 LYS 72 1HG LYS 72 22.864 25.718 -5.648 533 HG3 LYS 72 2HG LYS 72 22.634 26.417 -7.252 534 HD2 LYS 72 1HD LYS 72 20.451 27.049 -6.805 535 HD3 LYS 72 2HD LYS 72 20.266 25.862 -5.512 536 HE2 LYS 72 1HE LYS 72 22.195 28.148 -5.276 537 HE3 LYS 72 2HE LYS 72 20.490 28.341 -4.869 538 HZ1 LYS 72 3HZ LYS 72 21.985 26.102 -3.697 539 HZ2 LYS 72 1HZ LYS 72 20.666 26.959 -3.073 540 HZ3 LYS 72 2HZ LYS 72 22.208 27.653 -3.059 541 H TRP 73 H TRP 73 20.842 22.751 -9.087 542 HA TRP 73 HA TRP 73 20.980 20.194 -8.106 543 HB2 TRP 73 1HB TRP 73 20.004 21.234 -10.760 544 HB3 TRP 73 2HB TRP 73 19.865 19.532 -10.325 545 HD1 TRP 73 HD TRP 73 19.059 20.043 -7.226 546 HE1 TRP 73 1HE TRP 73 16.674 20.860 -6.707 547 HE3 TRP 73 3HE TRP 73 17.851 21.977 -11.801 548 HZ2 TRP 73 2HZ TRP 73 14.560 22.152 -8.059 549 HZ3 TRP 73 3HZ TRP 73 15.628 22.986 -12.105 550 HH2 TRP 73 HH TRP 73 14.017 23.070 -10.272 551 H ALA 74 H ALA 74 22.202 21.138 -11.326 552 HA ALA 74 HA ALA 74 23.438 18.918 -12.170 553 HB1 ALA 74 1HB ALA 74 25.392 20.730 -12.761 554 HB2 ALA 74 2HB ALA 74 23.911 20.494 -13.688 555 HB3 ALA 74 3HB ALA 74 23.998 21.772 -12.476 556 H ASP 75 H ASP 75 24.584 20.985 -9.568 557 HA ASP 75 HA ASP 75 27.122 19.757 -9.260 558 HB2 ASP 75 1HB ASP 75 26.330 22.028 -8.356 559 HB3 ASP 75 2HB ASP 75 25.597 21.111 -7.043 560 H LYS 76 H LYS 76 24.001 19.287 -7.640 561 HA LYS 76 HA LYS 76 24.839 17.360 -5.785 562 HB2 LYS 76 1HB LYS 76 22.236 18.208 -6.940 563 HB3 LYS 76 2HB LYS 76 22.281 16.639 -6.147 564 HG2 LYS 76 1HG LYS 76 21.744 17.902 -4.353 565 HG3 LYS 76 2HG LYS 76 23.499 18.072 -4.264 566 HD2 LYS 76 1HD LYS 76 22.926 20.272 -4.139 567 HD3 LYS 76 2HD LYS 76 22.992 20.110 -5.896 568 HE2 LYS 76 1HE LYS 76 20.723 20.214 -6.127 569 HE3 LYS 76 2HE LYS 76 20.420 19.497 -4.545 570 HZ1 LYS 76 3HZ LYS 76 21.248 21.643 -3.585 571 HZ2 LYS 76 1HZ LYS 76 19.775 21.746 -4.410 572 HZ3 LYS 76 2HZ LYS 76 21.197 22.292 -5.146 573 H GLY 77 H GLY 77 23.820 17.080 -9.141 574 HA2 GLY 77 1HA GLY 77 24.786 15.292 -10.470 575 HA3 GLY 77 2HA GLY 77 24.656 14.251 -9.060 576 H TYR 78 H TYR 78 22.393 16.377 -10.815 577 HA TYR 78 HA TYR 78 20.498 14.122 -10.871 578 HB2 TYR 78 1HB TYR 78 19.956 17.098 -10.922 579 HB3 TYR 78 2HB TYR 78 18.723 15.850 -11.065 580 HD1 TYR 78 1HD TYR 78 19.350 13.919 -9.050 581 HD2 TYR 78 2HD TYR 78 19.748 18.152 -8.880 582 HE1 TYR 78 1HE TYR 78 19.147 13.834 -6.600 583 HE2 TYR 78 2HE TYR 78 19.547 18.079 -6.430 584 HH TYR 78 HH TYR 78 18.934 16.764 -4.672 585 H THR 79 H THR 79 19.118 13.937 -12.751 586 HA THR 79 HA THR 79 19.979 15.311 -15.168 587 HB THR 79 HB THR 79 21.458 13.326 -15.022 588 HG1 THR 79 1HG THR 79 20.399 14.215 -17.067 589 HG21 THR 79 3HG2 THR 79 19.781 11.890 -13.826 590 HG22 THR 79 1HG2 THR 79 20.593 11.103 -15.178 591 HG23 THR 79 2HG2 THR 79 18.943 11.697 -15.365 592 H LEU 80 H LEU 80 18.531 14.976 -16.975 593 HA LEU 80 HA LEU 80 15.925 15.365 -16.589 594 HB2 LEU 80 1HB LEU 80 16.982 13.535 -18.738 595 HB3 LEU 80 2HB LEU 80 15.457 14.417 -18.776 596 HG LEU 80 HG LEU 80 18.174 15.726 -18.734 597 HD11 LEU 80 1HD1 LEU 80 16.515 14.678 -20.947 598 HD12 LEU 80 2HD1 LEU 80 18.264 14.868 -20.828 599 HD13 LEU 80 3HD1 LEU 80 17.247 16.266 -21.176 600 HD21 LEU 80 3HD2 LEU 80 16.648 17.282 -17.915 601 HD22 LEU 80 1HD2 LEU 80 15.357 16.720 -18.978 602 HD23 LEU 80 2HD2 LEU 80 16.709 17.638 -19.642 603 H THR 81 H THR 81 17.437 12.165 -16.647 604 HA THR 81 HA THR 81 15.086 10.647 -16.387 605 HB THR 81 HB THR 81 17.870 9.963 -15.423 606 HG1 THR 81 1HG THR 81 18.195 9.951 -17.522 607 HG21 THR 81 3HG2 THR 81 15.865 8.613 -14.540 608 HG22 THR 81 1HG2 THR 81 17.200 7.724 -15.272 609 HG23 THR 81 2HG2 THR 81 15.721 8.010 -16.190 610 H GLN 82 H GLN 82 17.467 11.524 -13.874 611 HA GLN 82 HA GLN 82 15.802 10.634 -11.742 612 HB2 GLN 82 1HB GLN 82 18.232 12.430 -11.716 613 HB3 GLN 82 2HB GLN 82 17.474 11.744 -10.286 614 HG2 GLN 82 1HG GLN 82 17.962 9.489 -11.138 615 HG3 GLN 82 2HG GLN 82 18.782 10.212 -12.521 616 HE21 GLN 82 1HE2 GLN 82 18.782 10.794 -9.018 617 HE22 GLN 82 2HE2 GLN 82 20.498 10.730 -8.836 618 H MET 83 H MET 83 16.876 13.915 -12.654 619 HA MET 83 HA MET 83 15.498 15.480 -10.966 620 HB2 MET 83 1HB MET 83 16.884 16.360 -12.785 621 HB3 MET 83 2HB MET 83 15.655 15.903 -13.956 622 HG2 MET 83 1HG MET 83 15.571 18.279 -13.480 623 HG3 MET 83 2HG MET 83 14.094 17.474 -12.954 624 HE1 MET 83 3HE MET 83 17.589 18.169 -11.976 625 HE2 MET 83 1HE MET 83 17.483 19.224 -10.566 626 HE3 MET 83 2HE MET 83 17.491 17.473 -10.358 627 H SER 84 H SER 84 14.095 14.013 -13.885 628 HA SER 84 HA SER 84 11.513 15.065 -13.594 629 HB2 SER 84 1HB SER 84 10.805 13.322 -15.146 630 HB3 SER 84 2HB SER 84 12.355 13.985 -15.664 631 HG SER 84 HG SER 84 11.724 11.457 -14.743 632 H ASN 85 H ASN 85 12.842 11.934 -12.550 633 HA ASN 85 HA ASN 85 10.566 10.835 -11.434 634 HB2 ASN 85 1HB ASN 85 13.476 10.574 -10.700 635 HB3 ASN 85 2HB ASN 85 12.225 9.668 -9.854 636 HD21 ASN 85 1HD2 ASN 85 13.802 8.006 -10.839 637 HD22 ASN 85 2HD2 ASN 85 13.323 7.354 -12.366 638 H PHE 86 H PHE 86 12.599 13.385 -10.235 639 HA PHE 86 HA PHE 86 11.483 13.303 -7.567 640 HB2 PHE 86 1HB PHE 86 13.333 15.283 -8.909 641 HB3 PHE 86 2HB PHE 86 12.851 15.360 -7.218 642 HD1 PHE 86 1HD PHE 86 13.079 12.765 -6.166 643 HD2 PHE 86 2HD PHE 86 15.508 14.614 -9.132 644 HE1 PHE 86 1HE PHE 86 14.941 11.272 -5.567 645 HE2 PHE 86 2HE PHE 86 17.373 13.124 -8.539 646 HZ PHE 86 HZ PHE 86 17.092 11.450 -6.755 647 H LEU 87 H LEU 87 11.190 15.291 -10.469 648 HA LEU 87 HA LEU 87 9.133 16.923 -9.181 649 HB2 LEU 87 1HB LEU 87 10.391 17.181 -11.909 650 HB3 LEU 87 2HB LEU 87 9.271 18.325 -11.174 651 HG LEU 87 HG LEU 87 11.998 17.689 -10.056 652 HD11 LEU 87 1HD1 LEU 87 12.584 19.955 -10.963 653 HD12 LEU 87 2HD1 LEU 87 11.102 19.879 -11.916 654 HD13 LEU 87 3HD1 LEU 87 12.378 18.689 -12.174 655 HD21 LEU 87 3HD2 LEU 87 9.864 19.698 -9.403 656 HD22 LEU 87 1HD2 LEU 87 11.549 19.944 -8.946 657 HD23 LEU 87 2HD2 LEU 87 10.664 18.547 -8.332 658 H LYS 88 H LYS 88 8.644 14.130 -9.827 659 HA LYS 88 HA LYS 88 7.222 13.679 -12.152 660 HB2 LYS 88 1HB LYS 88 7.843 12.041 -10.274 661 HB3 LYS 88 2HB LYS 88 6.356 12.561 -9.493 662 HG2 LYS 88 1HG LYS 88 5.537 10.776 -10.608 663 HG3 LYS 88 2HG LYS 88 5.363 11.974 -11.892 664 HD2 LYS 88 1HD LYS 88 7.971 10.591 -11.729 665 HD3 LYS 88 2HD LYS 88 6.592 9.609 -12.232 666 HE2 LYS 88 1HE LYS 88 6.307 10.764 -14.178 667 HE3 LYS 88 2HE LYS 88 6.921 12.272 -13.501 668 HZ1 LYS 88 3HZ LYS 88 9.162 11.098 -13.491 669 HZ2 LYS 88 1HZ LYS 88 8.552 11.585 -14.992 670 HZ3 LYS 88 2HZ LYS 88 8.453 9.962 -14.525 671 H SER 89 H SER 89 6.086 15.606 -12.655 672 HA SER 89 HA SER 89 4.010 16.582 -10.932 673 HB2 SER 89 1HB SER 89 3.458 18.069 -12.841 674 HB3 SER 89 2HB SER 89 5.170 18.125 -12.420 675 HG SER 89 HG SER 89 4.643 17.917 -14.723 676 H LYS 90 H LYS 90 3.256 14.151 -10.935 677 HA LYS 90 HA LYS 90 1.953 12.831 -12.877 678 HB2 LYS 90 1HB LYS 90 1.997 12.002 -10.606 679 HB3 LYS 90 2HB LYS 90 0.956 13.312 -10.064 680 HG2 LYS 90 1HG LYS 90 -0.771 12.372 -11.696 681 HG3 LYS 90 2HG LYS 90 0.252 10.934 -11.747 682 HD2 LYS 90 1HD LYS 90 -0.707 12.115 -9.155 683 HD3 LYS 90 2HD LYS 90 -1.674 10.952 -10.065 684 HE2 LYS 90 1HE LYS 90 0.588 9.591 -10.044 685 HE3 LYS 90 2HE LYS 90 0.899 10.575 -8.615 686 HZ1 LYS 90 3HZ LYS 90 -1.079 8.470 -9.027 687 HZ2 LYS 90 1HZ LYS 90 -1.540 9.775 -8.054 688 HZ3 LYS 90 2HZ LYS 90 -0.181 8.855 -7.646 689 H THR 91 H THR 91 0.978 15.870 -11.504 690 HA THR 91 HA THR 91 -1.694 15.855 -12.507 691 HB THR 91 HB THR 91 0.088 18.063 -11.487 692 HG1 THR 91 1HG THR 91 -1.446 17.994 -9.771 693 HG21 THR 91 3HG2 THR 91 -1.328 19.098 -13.132 694 HG22 THR 91 1HG2 THR 91 -1.957 19.493 -11.533 695 HG23 THR 91 2HG2 THR 91 -2.746 18.255 -12.510 696 H ALA 92 H ALA 92 -2.517 17.325 -14.156 697 HA ALA 92 HA ALA 92 -1.217 17.030 -16.618 698 HB1 ALA 92 1HB ALA 92 -3.121 17.822 -17.496 699 HB2 ALA 92 2HB ALA 92 -3.729 17.730 -15.843 700 HB3 ALA 92 3HB ALA 92 -3.113 19.258 -16.471 701 H GLY 93 H GLY 93 0.911 17.828 -16.373 702 HA2 GLY 93 1HA GLY 93 2.574 19.401 -16.536 703 HA3 GLY 93 2HA GLY 93 1.362 20.411 -17.312 704 H LYS 94 H LYS 94 2.998 19.655 -14.334 705 HA LYS 94 HA LYS 94 1.774 22.035 -13.097 706 HB2 LYS 94 1HB LYS 94 1.366 19.784 -11.992 707 HB3 LYS 94 2HB LYS 94 3.084 19.753 -11.619 708 HG2 LYS 94 1HG LYS 94 2.808 21.876 -10.376 709 HG3 LYS 94 2HG LYS 94 1.070 21.781 -10.672 710 HD2 LYS 94 1HD LYS 94 0.960 19.673 -9.464 711 HD3 LYS 94 2HD LYS 94 2.707 19.704 -9.216 712 HE2 LYS 94 1HE LYS 94 1.888 20.515 -7.204 713 HE3 LYS 94 2HE LYS 94 2.268 21.990 -8.092 714 HZ1 LYS 94 3HZ LYS 94 -0.441 20.806 -8.132 715 HZ2 LYS 94 1HZ LYS 94 0.024 22.381 -8.537 716 HZ3 LYS 94 2HZ LYS 94 0.039 21.885 -6.921 717 H TYR 95 H TYR 95 4.770 20.101 -12.922 718 HA TYR 95 HA TYR 95 6.258 22.590 -12.452 719 HB2 TYR 95 1HB TYR 95 7.126 19.725 -12.017 720 HB3 TYR 95 2HB TYR 95 8.058 21.159 -11.603 721 HD1 TYR 95 1HD TYR 95 7.222 22.681 -9.796 722 HD2 TYR 95 2HD TYR 95 5.453 18.888 -10.563 723 HE1 TYR 95 1HE TYR 95 6.168 22.730 -7.574 724 HE2 TYR 95 2HE TYR 95 4.392 18.927 -8.345 725 HH TYR 95 HH TYR 95 4.269 19.987 -6.381 726 H ASP 96 H ASP 96 5.423 22.206 -15.042 727 HA ASP 96 HA ASP 96 7.475 20.928 -16.600 728 HB2 ASP 96 1HB ASP 96 4.931 21.381 -17.160 729 HB3 ASP 96 2HB ASP 96 5.568 22.897 -17.792 730 H ARG 97 H ARG 97 6.503 24.288 -15.968 731 HA ARG 97 HA ARG 97 8.303 25.629 -17.553 732 HB2 ARG 97 1HB ARG 97 6.453 26.485 -15.898 733 HB3 ARG 97 2HB ARG 97 7.798 26.617 -14.773 734 HG2 ARG 97 1HG ARG 97 8.963 27.989 -16.568 735 HG3 ARG 97 2HG ARG 97 7.391 28.064 -17.368 736 HD2 ARG 97 1HD ARG 97 7.718 28.833 -14.487 737 HD3 ARG 97 2HD ARG 97 8.053 29.980 -15.784 738 HE ARG 97 HE ARG 97 5.495 28.760 -16.080 739 HH11 ARG 97 2HH1 ARG 97 7.232 31.234 -14.352 740 HH12 ARG 97 1HH1 ARG 97 5.826 32.206 -14.070 741 HH21 ARG 97 2HH2 ARG 97 3.637 30.031 -15.715 742 HH22 ARG 97 1HH2 ARG 97 3.782 31.521 -14.845 743 H VAL 98 H VAL 98 8.830 24.314 -14.306 744 HA VAL 98 HA VAL 98 11.476 25.285 -14.016 745 HB VAL 98 HB VAL 98 10.182 22.905 -12.677 746 HG11 VAL 98 1HG1 VAL 98 12.724 23.098 -12.638 747 HG12 VAL 98 2HG1 VAL 98 12.484 24.530 -11.635 748 HG13 VAL 98 3HG1 VAL 98 11.905 22.957 -11.084 749 HG21 VAL 98 3HG2 VAL 98 8.861 24.483 -11.784 750 HG22 VAL 98 1HG2 VAL 98 10.281 24.912 -10.830 751 HG23 VAL 98 2HG2 VAL 98 9.912 25.797 -12.310 752 H TYR 99 H TYR 99 10.266 22.016 -14.775 753 HA TYR 99 HA TYR 99 12.661 20.734 -15.183 754 HB2 TYR 99 1HB TYR 99 10.427 19.645 -15.221 755 HB3 TYR 99 2HB TYR 99 10.151 20.324 -16.821 756 HD1 TYR 99 1HD TYR 99 12.707 18.273 -15.017 757 HD2 TYR 99 2HD TYR 99 10.593 18.980 -18.642 758 HE1 TYR 99 1HE TYR 99 13.798 16.315 -16.029 759 HE2 TYR 99 2HE TYR 99 11.677 17.023 -19.663 760 HH TYR 99 HH TYR 99 13.787 14.903 -17.786 761 H ASN 100 H ASN 100 10.702 22.326 -17.704 762 HA ASN 100 HA ASN 100 12.227 21.991 -19.907 763 HB2 ASN 100 1HB ASN 100 10.661 24.366 -18.951 764 HB3 ASN 100 2HB ASN 100 11.557 24.455 -20.465 765 HD21 ASN 100 1HD2 ASN 100 9.101 24.836 -20.923 766 HD22 ASN 100 2HD2 ASN 100 8.256 23.437 -21.483 767 H GLY 101 H GLY 101 12.676 24.735 -17.662 768 HA2 GLY 101 1HA GLY 101 14.910 25.879 -18.762 769 HA3 GLY 101 2HA GLY 101 14.591 25.847 -17.034 770 H TYR 102 H TYR 102 14.874 23.201 -16.421 771 HA TYR 102 HA TYR 102 17.643 22.921 -16.169 772 HB2 TYR 102 1HB TYR 102 15.789 21.833 -14.777 773 HB3 TYR 102 2HB TYR 102 15.713 20.610 -16.040 774 HD1 TYR 102 1HD TYR 102 18.548 22.345 -14.322 775 HD2 TYR 102 2HD TYR 102 16.685 18.651 -15.312 776 HE1 TYR 102 1HE TYR 102 20.398 21.132 -13.249 777 HE2 TYR 102 2HE TYR 102 18.529 17.427 -14.241 778 HH TYR 102 HH TYR 102 20.627 17.620 -13.406 779 H VAL 103 H VAL 103 15.378 21.488 -18.472 780 HA VAL 103 HA VAL 103 16.970 19.624 -19.716 781 HB VAL 103 HB VAL 103 14.985 21.477 -21.043 782 HG11 VAL 103 1HG1 VAL 103 15.963 20.582 -22.887 783 HG12 VAL 103 2HG1 VAL 103 16.550 19.160 -22.022 784 HG13 VAL 103 3HG1 VAL 103 14.859 19.258 -22.514 785 HG21 VAL 103 3HG2 VAL 103 14.626 19.433 -19.125 786 HG22 VAL 103 1HG2 VAL 103 13.392 20.318 -20.021 787 HG23 VAL 103 2HG2 VAL 103 14.040 18.811 -20.668 788 H ILE 104 H ILE 104 16.713 23.084 -20.515 789 HA ILE 104 HA ILE 104 18.591 23.069 -22.605 790 HB ILE 104 HB ILE 104 17.857 25.349 -20.764 791 HG12 ILE 104 1HG1 ILE 104 16.804 24.837 -23.541 792 HG13 ILE 104 2HG1 ILE 104 16.014 24.173 -22.116 793 HG21 ILE 104 1HG2 ILE 104 18.944 25.588 -23.551 794 HG22 ILE 104 2HG2 ILE 104 18.824 26.826 -22.302 795 HG23 ILE 104 3HG2 ILE 104 20.002 25.524 -22.142 796 HD11 ILE 104 3HD1 ILE 104 14.978 26.251 -22.888 797 HD12 ILE 104 1HD1 ILE 104 15.630 26.397 -21.256 798 HD13 ILE 104 2HD1 ILE 104 16.501 27.098 -22.620 799 H HIS 105 H HIS 105 18.944 23.441 -19.127 800 HA HIS 105 HA HIS 105 21.593 24.345 -19.052 801 HB2 HIS 105 1HB HIS 105 20.096 24.333 -17.092 802 HB3 HIS 105 2HB HIS 105 20.168 22.574 -17.055 803 HD1 HIS 105 1HD HIS 105 22.030 25.612 -16.061 804 HD2 HIS 105 2HD HIS 105 22.665 21.509 -16.192 805 HE1 HIS 105 1HE HIS 105 24.075 25.204 -14.657 806 HE2 HIS 105 2HE HIS 105 24.490 22.725 -14.821 807 H LEU 106 H LEU 106 20.260 21.080 -19.223 808 HA LEU 106 HA LEU 106 22.853 19.833 -19.066 809 HB2 LEU 106 1HB LEU 106 20.067 18.837 -19.554 810 HB3 LEU 106 2HB LEU 106 21.463 17.782 -19.762 811 HG LEU 106 HG LEU 106 20.460 17.411 -17.597 812 HD11 LEU 106 1HD1 LEU 106 22.995 18.971 -17.166 813 HD12 LEU 106 2HD1 LEU 106 22.960 17.367 -17.897 814 HD13 LEU 106 3HD1 LEU 106 22.392 17.594 -16.243 815 HD21 LEU 106 3HD2 LEU 106 20.874 20.369 -17.196 816 HD22 LEU 106 1HD2 LEU 106 20.486 19.237 -15.900 817 HD23 LEU 106 2HD2 LEU 106 19.343 19.493 -17.219 818 H ASP 107 H ASP 107 20.453 20.475 -21.589 819 HA ASP 107 HA ASP 107 21.324 19.155 -23.749 820 HB2 ASP 107 1HB ASP 107 20.326 21.947 -23.422 821 HB3 ASP 107 2HB ASP 107 20.947 21.468 -25.000 822 H TYR 108 H TYR 108 23.032 21.766 -22.172 823 HA TYR 108 HA TYR 108 24.849 22.680 -23.909 824 HB2 TYR 108 1HB TYR 108 26.222 23.188 -22.127 825 HB3 TYR 108 2HB TYR 108 24.711 22.864 -21.284 826 HD1 TYR 108 1HD TYR 108 24.406 20.739 -20.060 827 HD2 TYR 108 2HD TYR 108 28.127 21.765 -21.849 828 HE1 TYR 108 1HE TYR 108 25.526 19.022 -18.701 829 HE2 TYR 108 2HE TYR 108 29.257 20.051 -20.496 830 HH TYR 108 HH TYR 108 29.026 18.674 -18.702 Start of MODEL 19 1 H1 GLY 1 H GLY 1 94.801 -45.905 -9.774 2 HA2 GLY 1 1HA GLY 1 92.104 -45.110 -9.289 3 HA3 GLY 1 2HA GLY 1 92.175 -46.716 -9.998 4 H SER 2 H SER 2 91.159 -46.124 -7.421 5 HA SER 2 HA SER 2 92.704 -47.993 -5.880 6 HB2 SER 2 1HB SER 2 92.401 -45.170 -4.828 7 HB3 SER 2 2HB SER 2 93.131 -46.528 -3.972 8 HG SER 2 HG SER 2 94.541 -46.557 -6.001 9 H SER 3 H SER 3 91.680 -48.084 -3.546 10 HA SER 3 HA SER 3 88.969 -47.303 -3.254 11 HB2 SER 3 1HB SER 3 87.998 -49.628 -3.345 12 HB3 SER 3 2HB SER 3 88.474 -48.971 -4.910 13 HG SER 3 HG SER 3 89.673 -50.998 -3.385 14 H GLY 4 H GLY 4 87.968 -48.268 -1.300 15 HA2 GLY 4 1HA GLY 4 89.197 -49.952 0.506 16 HA3 GLY 4 2HA GLY 4 89.872 -48.361 0.824 17 H SER 5 H SER 5 88.552 -49.524 2.837 18 HA SER 5 HA SER 5 86.488 -47.668 3.408 19 HB2 SER 5 1HB SER 5 85.255 -49.245 1.896 20 HB3 SER 5 2HB SER 5 85.560 -50.529 3.067 21 HG SER 5 HG SER 5 84.342 -48.122 3.872 22 H SER 6 H SER 6 85.384 -48.238 5.537 23 HA SER 6 HA SER 6 86.552 -50.170 7.254 24 HB2 SER 6 1HB SER 6 88.326 -48.238 6.940 25 HB3 SER 6 2HB SER 6 87.308 -47.406 8.115 26 HG SER 6 HG SER 6 88.961 -48.606 9.133 27 H GLY 7 H GLY 7 85.978 -49.593 9.647 28 HA2 GLY 7 1HA GLY 7 83.247 -48.471 9.600 29 HA3 GLY 7 2HA GLY 7 83.775 -49.756 10.676 30 H ASN 8 H ASN 8 82.755 -48.245 12.264 31 HA ASN 8 HA ASN 8 84.806 -46.819 13.647 32 HB2 ASN 8 1HB ASN 8 83.868 -45.222 11.809 33 HB3 ASN 8 2HB ASN 8 82.478 -45.086 12.881 34 HD21 ASN 8 1HD2 ASN 8 82.551 -43.519 14.310 35 HD22 ASN 8 2HD2 ASN 8 83.978 -42.748 14.906 36 H VAL 9 H VAL 9 83.722 -45.568 15.580 37 HA VAL 9 HA VAL 9 81.563 -47.285 16.623 38 HB VAL 9 HB VAL 9 83.740 -47.618 17.766 39 HG11 VAL 9 1HG1 VAL 9 83.762 -44.764 17.718 40 HG12 VAL 9 2HG1 VAL 9 83.841 -45.314 19.392 41 HG13 VAL 9 3HG1 VAL 9 85.036 -45.875 18.221 42 HG21 VAL 9 3HG2 VAL 9 81.537 -46.378 19.411 43 HG22 VAL 9 1HG2 VAL 9 81.707 -48.079 18.975 44 HG23 VAL 9 2HG2 VAL 9 82.869 -47.328 20.070 45 H ASP 10 H ASP 10 79.916 -46.335 17.812 46 HA ASP 10 HA ASP 10 79.601 -43.461 17.369 47 HB2 ASP 10 1HB ASP 10 77.715 -45.730 17.866 48 HB3 ASP 10 2HB ASP 10 77.208 -44.094 18.278 49 H SER 11 H SER 11 78.112 -42.467 19.221 50 HA SER 11 HA SER 11 79.419 -43.097 21.787 51 HB2 SER 11 1HB SER 11 79.971 -40.858 20.523 52 HB3 SER 11 2HB SER 11 78.419 -40.338 21.178 53 HG SER 11 HG SER 11 79.797 -39.815 22.755 54 H ASN 12 H ASN 12 78.073 -41.812 23.599 55 HA ASN 12 HA ASN 12 75.258 -42.599 23.219 56 HB2 ASN 12 1HB ASN 12 76.677 -43.966 24.852 57 HB3 ASN 12 2HB ASN 12 76.679 -42.534 25.878 58 HD21 ASN 12 1HD2 ASN 12 74.666 -44.975 24.382 59 HD22 ASN 12 2HD2 ASN 12 73.328 -44.806 25.462 60 H GLN 13 H GLN 13 73.827 -41.477 24.956 61 HA GLN 13 HA GLN 13 74.575 -38.629 25.045 62 HB2 GLN 13 1HB GLN 13 71.814 -39.824 24.746 63 HB3 GLN 13 2HB GLN 13 72.175 -38.107 24.861 64 HG2 GLN 13 1HG GLN 13 73.581 -38.387 22.788 65 HG3 GLN 13 2HG GLN 13 72.880 -39.997 22.638 66 HE21 GLN 13 1HE2 GLN 13 71.158 -40.138 21.405 67 HE22 GLN 13 2HE2 GLN 13 70.057 -38.859 21.037 68 H ASN 14 H ASN 14 72.925 -37.496 26.692 69 HA ASN 14 HA ASN 14 72.636 -39.113 29.107 70 HB2 ASN 14 1HB ASN 14 74.444 -36.745 28.799 71 HB3 ASN 14 2HB ASN 14 73.650 -37.028 30.346 72 HD21 ASN 14 1HD2 ASN 14 73.888 -39.278 31.207 73 HD22 ASN 14 2HD2 ASN 14 75.434 -40.028 31.027 74 H LYS 15 H LYS 15 71.753 -37.465 30.916 75 HA LYS 15 HA LYS 15 69.785 -35.664 29.706 76 HB2 LYS 15 1HB LYS 15 68.930 -38.093 30.254 77 HB3 LYS 15 2HB LYS 15 68.888 -37.485 31.903 78 HG2 LYS 15 1HG LYS 15 67.598 -35.858 29.781 79 HG3 LYS 15 2HG LYS 15 66.793 -37.336 30.313 80 HD2 LYS 15 1HD LYS 15 67.806 -35.468 32.393 81 HD3 LYS 15 2HD LYS 15 66.360 -35.003 31.494 82 HE2 LYS 15 1HE LYS 15 65.385 -36.161 33.199 83 HE3 LYS 15 2HE LYS 15 65.649 -37.486 32.067 84 HZ1 LYS 15 3HZ LYS 15 67.665 -38.063 33.242 85 HZ2 LYS 15 1HZ LYS 15 66.359 -38.047 34.318 86 HZ3 LYS 15 2HZ LYS 15 67.461 -36.764 34.307 87 H ALA 16 H ALA 16 68.976 -34.053 31.118 88 HA ALA 16 HA ALA 16 70.462 -33.774 33.647 89 HB1 ALA 16 1HB ALA 16 70.509 -32.060 31.342 90 HB2 ALA 16 2HB ALA 16 69.886 -31.188 32.743 91 HB3 ALA 16 3HB ALA 16 71.464 -31.972 32.823 92 H SER 17 H SER 17 69.421 -32.197 35.160 93 HA SER 17 HA SER 17 66.513 -32.600 35.106 94 HB2 SER 17 1HB SER 17 67.599 -33.507 37.078 95 HB3 SER 17 2HB SER 17 68.383 -31.960 37.400 96 HG SER 17 HG SER 17 66.001 -32.781 38.212 97 H MET 18 H MET 18 65.604 -30.914 34.074 98 HA MET 18 HA MET 18 66.552 -28.301 33.958 99 HB2 MET 18 1HB MET 18 63.869 -29.556 33.540 100 HB3 MET 18 2HB MET 18 64.002 -27.803 33.553 101 HG2 MET 18 1HG MET 18 65.550 -27.854 31.718 102 HG3 MET 18 2HG MET 18 65.597 -29.615 31.760 103 HE1 MET 18 3HE MET 18 62.203 -30.698 30.346 104 HE2 MET 18 1HE MET 18 63.820 -31.175 30.865 105 HE3 MET 18 2HE MET 18 62.651 -30.589 32.049 106 H LEU 19 H LEU 19 66.054 -26.413 35.075 107 HA LEU 19 HA LEU 19 64.410 -26.577 37.468 108 HB2 LEU 19 1HB LEU 19 67.357 -26.374 37.464 109 HB3 LEU 19 2HB LEU 19 66.502 -25.289 38.558 110 HG LEU 19 HG LEU 19 65.926 -28.227 38.593 111 HD11 LEU 19 1HD1 LEU 19 67.660 -28.007 40.618 112 HD12 LEU 19 2HD1 LEU 19 68.388 -26.864 39.491 113 HD13 LEU 19 3HD1 LEU 19 68.127 -28.538 39.003 114 HD21 LEU 19 3HD2 LEU 19 66.000 -26.931 41.129 115 HD22 LEU 19 1HD2 LEU 19 64.624 -27.645 40.289 116 HD23 LEU 19 2HD2 LEU 19 65.041 -25.953 40.017 117 H GLN 20 H GLN 20 63.670 -24.580 38.202 118 HA GLN 20 HA GLN 20 64.630 -22.083 37.339 119 HB2 GLN 20 1HB GLN 20 62.832 -21.444 35.783 120 HB3 GLN 20 2HB GLN 20 63.815 -22.757 35.149 121 HG2 GLN 20 1HG GLN 20 62.114 -24.364 35.704 122 HG3 GLN 20 2HG GLN 20 61.150 -23.119 36.497 123 HE21 GLN 20 1HE2 GLN 20 59.401 -23.561 35.136 124 HE22 GLN 20 2HE2 GLN 20 59.375 -23.038 33.489 125 H ALA 21 H ALA 21 62.896 -20.321 37.712 126 HA ALA 21 HA ALA 21 61.238 -21.127 40.014 127 HB1 ALA 21 1HB ALA 21 62.076 -18.313 39.873 128 HB2 ALA 21 2HB ALA 21 61.997 -19.410 41.252 129 HB3 ALA 21 3HB ALA 21 63.374 -19.474 40.153 130 H ARG 22 H ARG 22 59.552 -19.287 40.473 131 HA ARG 22 HA ARG 22 58.348 -18.452 37.920 132 HB2 ARG 22 1HB ARG 22 57.112 -20.379 38.673 133 HB3 ARG 22 2HB ARG 22 56.968 -19.710 40.293 134 HG2 ARG 22 1HG ARG 22 55.508 -17.973 39.504 135 HG3 ARG 22 2HG ARG 22 55.748 -18.481 37.831 136 HD2 ARG 22 1HD ARG 22 54.659 -20.370 39.890 137 HD3 ARG 22 2HD ARG 22 53.607 -19.229 39.053 138 HE ARG 22 HE ARG 22 55.010 -20.511 37.072 139 HH11 ARG 22 2HH1 ARG 22 52.886 -21.466 39.661 140 HH12 ARG 22 1HH1 ARG 22 52.278 -22.855 38.823 141 HH21 ARG 22 2HH2 ARG 22 54.216 -22.337 35.960 142 HH22 ARG 22 1HH2 ARG 22 53.036 -23.351 36.719 143 H LEU 23 H LEU 23 56.957 -16.600 38.037 144 HA LEU 23 HA LEU 23 56.928 -15.049 40.484 145 HB2 LEU 23 1HB LEU 23 57.987 -13.098 39.525 146 HB3 LEU 23 2HB LEU 23 59.089 -14.473 39.501 147 HG LEU 23 HG LEU 23 58.263 -14.737 37.041 148 HD11 LEU 23 1HD1 LEU 23 57.384 -11.975 37.772 149 HD12 LEU 23 2HD1 LEU 23 56.548 -13.202 36.822 150 HD13 LEU 23 3HD1 LEU 23 57.921 -12.338 36.132 151 HD21 LEU 23 3HD2 LEU 23 60.332 -13.081 38.277 152 HD22 LEU 23 1HD2 LEU 23 59.939 -12.623 36.620 153 HD23 LEU 23 2HD2 LEU 23 60.452 -14.271 36.981 154 H ASN 24 H ASN 24 55.933 -12.754 39.865 155 HA ASN 24 HA ASN 24 54.018 -12.890 37.702 156 HB2 ASN 24 1HB ASN 24 52.070 -12.515 39.239 157 HB3 ASN 24 2HB ASN 24 52.778 -14.124 39.353 158 HD21 ASN 24 1HD2 ASN 24 53.191 -14.851 41.307 159 HD22 ASN 24 2HD2 ASN 24 53.368 -13.891 42.733 160 H ASP 25 H ASP 25 52.470 -10.879 37.943 161 HA ASP 25 HA ASP 25 54.020 -8.598 38.965 162 HB2 ASP 25 1HB ASP 25 53.491 -7.312 36.961 163 HB3 ASP 25 2HB ASP 25 54.358 -8.782 36.527 164 H GLU 26 H GLU 26 52.674 -6.584 39.106 165 HA GLU 26 HA GLU 26 49.815 -7.058 39.417 166 HB2 GLU 26 1HB GLU 26 51.680 -6.321 41.657 167 HB3 GLU 26 2HB GLU 26 49.985 -5.857 41.700 168 HG2 GLU 26 1HG GLU 26 50.777 -8.702 41.238 169 HG3 GLU 26 2HG GLU 26 50.719 -8.030 42.866 170 H ALA 27 H ALA 27 48.829 -4.856 40.326 171 HA ALA 27 HA ALA 27 48.305 -2.698 39.830 172 HB1 ALA 27 1HB ALA 27 51.236 -2.707 40.121 173 HB2 ALA 27 2HB ALA 27 50.552 -1.312 39.285 174 HB3 ALA 27 3HB ALA 27 50.016 -1.713 40.917 175 H GLY 28 H GLY 28 47.880 -4.359 37.742 176 HA2 GLY 28 1HA GLY 28 49.205 -3.521 35.347 177 HA3 GLY 28 2HA GLY 28 47.758 -4.515 35.444 178 H GLY 29 H GLY 29 46.302 -3.595 34.143 179 HA2 GLY 29 1HA GLY 29 45.040 -1.180 34.822 180 HA3 GLY 29 2HA GLY 29 46.173 -0.858 33.517 181 H THR 30 H THR 30 43.475 -0.435 33.178 182 HA THR 30 HA THR 30 42.928 -2.252 30.986 183 HB THR 30 HB THR 30 41.847 -3.354 32.930 184 HG1 THR 30 1HG THR 30 40.030 -2.242 31.031 185 HG21 THR 30 3HG2 THR 30 40.925 -2.027 34.476 186 HG22 THR 30 1HG2 THR 30 39.571 -1.835 33.363 187 HG23 THR 30 2HG2 THR 30 40.877 -0.651 33.375 188 H ARG 31 H ARG 31 41.188 -1.493 29.597 189 HA ARG 31 HA ARG 31 40.625 1.379 29.938 190 HB2 ARG 31 1HB ARG 31 41.448 -0.130 27.464 191 HB3 ARG 31 2HB ARG 31 40.645 1.432 27.378 192 HG2 ARG 31 1HG ARG 31 42.575 2.124 29.038 193 HG3 ARG 31 2HG ARG 31 43.388 0.752 28.281 194 HD2 ARG 31 1HD ARG 31 43.154 1.725 26.111 195 HD3 ARG 31 2HD ARG 31 42.108 2.998 26.736 196 HE ARG 31 HE ARG 31 44.593 3.098 28.052 197 HH11 ARG 31 2HH1 ARG 31 43.158 3.727 24.943 198 HH12 ARG 31 1HH1 ARG 31 44.309 4.949 24.514 199 HH21 ARG 31 2HH2 ARG 31 46.114 4.705 27.498 200 HH22 ARG 31 1HH2 ARG 31 45.990 5.504 25.967 201 H LEU 32 H LEU 32 38.575 2.062 29.530 202 HA LEU 32 HA LEU 32 36.599 -0.036 28.966 203 HB2 LEU 32 1HB LEU 32 36.195 2.692 30.182 204 HB3 LEU 32 2HB LEU 32 34.969 1.439 30.004 205 HG LEU 32 HG LEU 32 37.436 1.002 31.660 206 HD11 LEU 32 1HD1 LEU 32 36.034 3.074 32.310 207 HD12 LEU 32 2HD1 LEU 32 36.450 1.895 33.553 208 HD13 LEU 32 3HD1 LEU 32 34.837 1.893 32.841 209 HD21 LEU 32 3HD2 LEU 32 35.919 -0.889 30.904 210 HD22 LEU 32 1HD2 LEU 32 34.690 -0.184 31.954 211 HD23 LEU 32 2HD2 LEU 32 36.212 -0.755 32.638 212 H LEU 33 H LEU 33 35.118 0.158 27.336 213 HA LEU 33 HA LEU 33 35.815 1.745 25.100 214 HB2 LEU 33 1HB LEU 33 34.233 0.577 23.969 215 HB3 LEU 33 2HB LEU 33 34.450 -0.504 25.344 216 HG LEU 33 HG LEU 33 32.280 1.573 25.301 217 HD11 LEU 33 1HD1 LEU 33 32.407 -0.293 23.363 218 HD12 LEU 33 2HD1 LEU 33 30.899 0.318 24.041 219 HD13 LEU 33 3HD1 LEU 33 31.574 -1.204 24.623 220 HD21 LEU 33 3HD2 LEU 33 33.085 0.261 27.387 221 HD22 LEU 33 1HD2 LEU 33 32.227 -1.094 26.654 222 HD23 LEU 33 2HD2 LEU 33 31.356 0.385 27.059 223 H ARG 34 H ARG 34 33.742 2.893 23.979 224 HA ARG 34 HA ARG 34 32.604 4.759 25.946 225 HB2 ARG 34 1HB ARG 34 32.944 6.580 24.232 226 HB3 ARG 34 2HB ARG 34 34.410 5.978 24.993 227 HG2 ARG 34 1HG ARG 34 33.559 4.740 22.433 228 HG3 ARG 34 2HG ARG 34 34.249 6.364 22.391 229 HD2 ARG 34 1HD ARG 34 36.226 5.549 23.583 230 HD3 ARG 34 2HD ARG 34 35.534 3.928 23.623 231 HE ARG 34 HE ARG 34 35.642 4.799 20.961 232 HH11 ARG 34 2HH1 ARG 34 37.768 3.866 23.555 233 HH12 ARG 34 1HH1 ARG 34 39.014 3.287 22.499 234 HH21 ARG 34 2HH2 ARG 34 37.276 4.041 19.561 235 HH22 ARG 34 1HH2 ARG 34 38.734 3.388 20.228 236 H VAL 35 H VAL 35 30.470 4.910 25.790 237 HA VAL 35 HA VAL 35 28.914 3.474 23.999 238 HB VAL 35 HB VAL 35 27.109 5.267 24.667 239 HG11 VAL 35 1HG1 VAL 35 26.463 3.763 26.204 240 HG12 VAL 35 2HG1 VAL 35 27.860 2.842 25.644 241 HG13 VAL 35 3HG1 VAL 35 27.989 3.856 27.082 242 HG21 VAL 35 3HG2 VAL 35 28.765 5.731 27.058 243 HG22 VAL 35 1HG2 VAL 35 29.262 6.600 25.606 244 HG23 VAL 35 2HG2 VAL 35 27.628 6.801 26.238 245 H HIS 36 H HIS 36 28.316 3.767 21.954 246 HA HIS 36 HA HIS 36 28.871 6.371 20.705 247 HB2 HIS 36 1HB HIS 36 28.761 5.028 18.549 248 HB3 HIS 36 2HB HIS 36 30.122 4.676 19.610 249 HD1 HIS 36 1HD HIS 36 26.844 3.224 18.457 250 HD2 HIS 36 2HD HIS 36 30.251 2.082 20.543 251 HE1 HIS 36 1HE HIS 36 26.669 0.728 18.716 252 HE2 HIS 36 2HE HIS 36 28.698 0.071 20.055 253 H HIS 37 H HIS 37 27.382 7.115 19.037 254 HA HIS 37 HA HIS 37 24.608 6.307 19.621 255 HB2 HIS 37 1HB HIS 37 25.570 9.001 18.639 256 HB3 HIS 37 2HB HIS 37 23.924 8.578 19.098 257 HD1 HIS 37 1HD HIS 37 23.318 9.308 21.372 258 HD2 HIS 37 2HD HIS 37 27.399 8.614 21.019 259 HE1 HIS 37 1HE HIS 37 24.298 9.906 23.610 260 HE2 HIS 37 2HE HIS 37 26.778 9.560 23.345 261 H GLU 38 H GLU 38 23.984 4.976 18.033 262 HA GLU 38 HA GLU 38 24.866 5.420 15.299 263 HB2 GLU 38 1HB GLU 38 24.610 3.134 16.548 264 HB3 GLU 38 2HB GLU 38 22.917 3.291 16.102 265 HG2 GLU 38 1HG GLU 38 23.519 3.410 13.756 266 HG3 GLU 38 2HG GLU 38 25.229 3.324 14.176 267 H SER 39 H SER 39 23.585 6.036 13.614 268 HA SER 39 HA SER 39 20.853 6.902 14.304 269 HB2 SER 39 1HB SER 39 21.141 8.619 12.503 270 HB3 SER 39 2HB SER 39 22.242 8.829 13.865 271 HG SER 39 HG SER 39 23.097 7.284 11.699 272 H ASP 40 H ASP 40 19.196 6.534 12.840 273 HA ASP 40 HA ASP 40 19.848 4.873 10.502 274 HB2 ASP 40 1HB ASP 40 17.933 4.292 12.728 275 HB3 ASP 40 2HB ASP 40 17.561 3.721 11.104 276 H THR 41 H THR 41 18.465 5.071 8.731 277 HA THR 41 HA THR 41 16.069 6.558 8.724 278 HB THR 41 HB THR 41 17.071 8.605 8.954 279 HG1 THR 41 1HG THR 41 17.514 8.180 6.171 280 HG21 THR 41 3HG2 THR 41 19.456 7.577 7.412 281 HG22 THR 41 1HG2 THR 41 19.356 7.763 9.162 282 HG23 THR 41 2HG2 THR 41 19.305 9.185 8.119 283 H GLU 42 H GLU 42 14.962 6.140 6.896 284 HA GLU 42 HA GLU 42 16.469 5.027 4.620 285 HB2 GLU 42 1HB GLU 42 13.734 4.214 5.620 286 HB3 GLU 42 2HB GLU 42 14.500 3.598 4.162 287 HG2 GLU 42 1HG GLU 42 16.423 2.952 5.816 288 HG3 GLU 42 2HG GLU 42 15.136 3.051 7.016 289 H GLU 43 H GLU 43 16.539 6.789 3.307 290 HA GLU 43 HA GLU 43 14.076 8.273 2.784 291 HB2 GLU 43 1HB GLU 43 15.470 9.900 1.673 292 HB3 GLU 43 2HB GLU 43 16.179 9.512 3.234 293 HG2 GLU 43 1HG GLU 43 17.674 7.889 2.004 294 HG3 GLU 43 2HG GLU 43 17.095 8.633 0.515 295 H ARG 44 H ARG 44 16.639 6.611 0.953 296 HA ARG 44 HA ARG 44 16.678 5.965 -1.264 297 HB2 ARG 44 1HB ARG 44 15.056 4.166 -1.684 298 HB3 ARG 44 2HB ARG 44 15.774 4.033 -0.085 299 HG2 ARG 44 1HG ARG 44 13.820 4.585 0.990 300 HG3 ARG 44 2HG ARG 44 13.177 5.458 -0.401 301 HD2 ARG 44 1HD ARG 44 11.899 3.553 -0.462 302 HD3 ARG 44 2HD ARG 44 13.230 3.093 -1.523 303 HE ARG 44 HE ARG 44 13.987 2.286 0.990 304 HH11 ARG 44 2HH1 ARG 44 11.313 1.656 -1.149 305 HH12 ARG 44 1HH1 ARG 44 11.049 0.050 -0.557 306 HH21 ARG 44 2HH2 ARG 44 13.649 0.172 1.777 307 HH22 ARG 44 1HH2 ARG 44 12.378 -0.794 1.108 308 H GLY 45 H GLY 45 15.913 8.488 -1.429 309 HA2 GLY 45 1HA GLY 45 15.056 9.625 -3.354 310 HA3 GLY 45 2HA GLY 45 13.793 8.408 -3.466 311 H PHE 46 H PHE 46 12.866 8.387 -0.850 312 HA PHE 46 HA PHE 46 10.860 10.136 -0.735 313 HB2 PHE 46 1HB PHE 46 11.061 8.492 0.990 314 HB3 PHE 46 2HB PHE 46 12.563 9.201 1.576 315 HD1 PHE 46 1HD PHE 46 8.916 9.557 1.450 316 HD2 PHE 46 2HD PHE 46 12.555 11.118 3.012 317 HE1 PHE 46 1HE PHE 46 7.640 10.915 3.057 318 HE2 PHE 46 2HE PHE 46 11.285 12.477 4.622 319 HZ PHE 46 HZ PHE 46 8.824 12.376 4.646 320 H LEU 47 H LEU 47 13.760 10.878 1.198 321 HA LEU 47 HA LEU 47 13.180 13.565 1.599 322 HB2 LEU 47 1HB LEU 47 15.629 11.898 1.740 323 HB3 LEU 47 2HB LEU 47 15.837 13.648 1.732 324 HG LEU 47 HG LEU 47 14.058 12.244 3.711 325 HD11 LEU 47 1HD1 LEU 47 17.015 12.696 3.769 326 HD12 LEU 47 2HD1 LEU 47 16.092 11.265 4.228 327 HD13 LEU 47 3HD1 LEU 47 16.074 12.694 5.261 328 HD21 LEU 47 3HD2 LEU 47 14.034 14.803 3.144 329 HD22 LEU 47 1HD2 LEU 47 15.484 14.825 4.148 330 HD23 LEU 47 2HD2 LEU 47 13.956 14.252 4.819 331 H GLU 48 H GLU 48 15.471 12.182 -0.762 332 HA GLU 48 HA GLU 48 16.390 14.321 -2.077 333 HB2 GLU 48 1HB GLU 48 16.570 11.795 -2.661 334 HB3 GLU 48 2HB GLU 48 15.203 12.108 -3.721 335 HG2 GLU 48 1HG GLU 48 16.430 13.547 -5.082 336 HG3 GLU 48 2HG GLU 48 17.688 13.769 -3.868 337 H LYS 49 H LYS 49 13.218 12.863 -2.786 338 HA LYS 49 HA LYS 49 12.375 14.659 -4.726 339 HB2 LYS 49 1HB LYS 49 11.267 12.485 -3.909 340 HB3 LYS 49 2HB LYS 49 10.502 13.487 -2.682 341 HG2 LYS 49 1HG LYS 49 9.399 14.800 -4.362 342 HG3 LYS 49 2HG LYS 49 10.272 13.961 -5.646 343 HD2 LYS 49 1HD LYS 49 9.181 11.835 -4.528 344 HD3 LYS 49 2HD LYS 49 8.009 13.021 -3.952 345 HE2 LYS 49 1HE LYS 49 8.811 12.760 -6.842 346 HE3 LYS 49 2HE LYS 49 7.451 11.887 -6.137 347 HZ1 LYS 49 3HZ LYS 49 7.018 14.122 -7.289 348 HZ2 LYS 49 1HZ LYS 49 7.643 14.818 -5.879 349 HZ3 LYS 49 2HZ LYS 49 6.272 13.832 -5.799 350 H ALA 50 H ALA 50 12.182 14.888 -1.209 351 HA ALA 50 HA ALA 50 10.567 17.173 -1.039 352 HB1 ALA 50 1HB ALA 50 10.936 17.061 1.182 353 HB2 ALA 50 2HB ALA 50 11.631 15.492 0.774 354 HB3 ALA 50 3HB ALA 50 12.681 16.892 0.994 355 H ALA 51 H ALA 51 14.116 16.879 -1.052 356 HA ALA 51 HA ALA 51 14.691 19.614 -0.872 357 HB1 ALA 51 1HB ALA 51 16.416 18.017 -0.458 358 HB2 ALA 51 2HB ALA 51 16.269 17.353 -2.086 359 HB3 ALA 51 3HB ALA 51 16.901 18.983 -1.852 360 H VAL 52 H VAL 52 14.774 17.554 -3.790 361 HA VAL 52 HA VAL 52 15.219 19.477 -5.691 362 HB VAL 52 HB VAL 52 13.372 17.103 -5.979 363 HG11 VAL 52 1HG1 VAL 52 12.964 17.935 -8.005 364 HG12 VAL 52 2HG1 VAL 52 14.204 19.178 -7.825 365 HG13 VAL 52 3HG1 VAL 52 14.644 17.567 -8.394 366 HG21 VAL 52 3HG2 VAL 52 15.566 16.219 -7.107 367 HG22 VAL 52 1HG2 VAL 52 16.336 17.414 -6.063 368 HG23 VAL 52 2HG2 VAL 52 15.360 16.126 -5.358 369 H LYS 53 H LYS 53 12.024 18.370 -4.562 370 HA LYS 53 HA LYS 53 10.477 20.126 -6.078 371 HB2 LYS 53 1HB LYS 53 10.061 18.562 -3.581 372 HB3 LYS 53 2HB LYS 53 8.904 19.839 -3.935 373 HG2 LYS 53 1HG LYS 53 9.570 17.921 -6.101 374 HG3 LYS 53 2HG LYS 53 8.549 17.365 -4.772 375 HD2 LYS 53 1HD LYS 53 7.031 19.262 -5.176 376 HD3 LYS 53 2HD LYS 53 8.038 19.761 -6.536 377 HE2 LYS 53 1HE LYS 53 6.154 18.527 -7.374 378 HE3 LYS 53 2HE LYS 53 7.612 17.561 -7.595 379 HZ1 LYS 53 3HZ LYS 53 6.095 16.059 -6.745 380 HZ2 LYS 53 1HZ LYS 53 5.414 17.173 -5.669 381 HZ3 LYS 53 2HZ LYS 53 6.946 16.526 -5.359 382 H LYS 54 H LYS 54 11.449 20.473 -2.662 383 HA LYS 54 HA LYS 54 10.440 22.869 -1.988 384 HB2 LYS 54 1HB LYS 54 13.072 21.596 -1.393 385 HB3 LYS 54 2HB LYS 54 12.818 23.258 -0.878 386 HG2 LYS 54 1HG LYS 54 11.155 22.682 0.617 387 HG3 LYS 54 2HG LYS 54 10.799 21.162 -0.207 388 HD2 LYS 54 1HD LYS 54 12.819 20.170 0.602 389 HD3 LYS 54 2HD LYS 54 13.386 21.716 1.238 390 HE2 LYS 54 1HE LYS 54 11.937 21.663 3.026 391 HE3 LYS 54 2HE LYS 54 10.786 20.617 2.198 392 HZ1 LYS 54 3HZ LYS 54 13.427 19.797 3.282 393 HZ2 LYS 54 1HZ LYS 54 12.368 18.786 2.434 394 HZ3 LYS 54 2HZ LYS 54 11.915 19.414 3.938 395 H MET 55 H MET 55 13.547 22.515 -3.706 396 HA MET 55 HA MET 55 14.044 25.227 -4.102 397 HB2 MET 55 1HB MET 55 14.812 22.879 -5.845 398 HB3 MET 55 2HB MET 55 15.499 24.493 -5.977 399 HG2 MET 55 1HG MET 55 15.608 23.136 -3.340 400 HG3 MET 55 2HG MET 55 16.687 22.576 -4.615 401 HE1 MET 55 3HE MET 55 19.549 24.262 -3.685 402 HE2 MET 55 1HE MET 55 18.681 23.017 -4.585 403 HE3 MET 55 2HE MET 55 19.094 24.543 -5.366 404 H ALA 56 H ALA 56 12.337 22.914 -6.187 405 HA ALA 56 HA ALA 56 11.846 24.482 -8.391 406 HB1 ALA 56 1HB ALA 56 9.841 23.110 -8.760 407 HB2 ALA 56 2HB ALA 56 11.238 22.136 -8.299 408 HB3 ALA 56 3HB ALA 56 9.978 22.486 -7.116 409 H LYS 57 H LYS 57 9.710 24.166 -5.549 410 HA LYS 57 HA LYS 57 7.695 25.856 -6.146 411 HB2 LYS 57 1HB LYS 57 9.163 25.406 -3.569 412 HB3 LYS 57 2HB LYS 57 7.851 26.576 -3.642 413 HG2 LYS 57 1HG LYS 57 6.257 24.938 -4.114 414 HG3 LYS 57 2HG LYS 57 7.481 23.756 -4.588 415 HD2 LYS 57 1HD LYS 57 8.279 24.070 -2.102 416 HD3 LYS 57 2HD LYS 57 6.618 24.618 -1.865 417 HE2 LYS 57 1HE LYS 57 6.615 22.302 -1.402 418 HE3 LYS 57 2HE LYS 57 5.889 22.479 -2.999 419 HZ1 LYS 57 3HZ LYS 57 7.364 20.753 -3.298 420 HZ2 LYS 57 1HZ LYS 57 8.539 21.417 -2.277 421 HZ3 LYS 57 2HZ LYS 57 8.286 22.074 -3.815 422 H ALA 58 H ALA 58 10.670 26.976 -4.520 423 HA ALA 58 HA ALA 58 10.228 29.671 -4.519 424 HB1 ALA 58 1HB ALA 58 12.913 28.499 -5.198 425 HB2 ALA 58 2HB ALA 58 12.561 29.985 -4.315 426 HB3 ALA 58 3HB ALA 58 12.214 28.420 -3.581 427 H ILE 59 H ILE 59 11.276 27.677 -7.224 428 HA ILE 59 HA ILE 59 11.826 29.861 -8.977 429 HB ILE 59 HB ILE 59 11.276 26.958 -9.605 430 HG12 ILE 59 1HG1 ILE 59 13.924 28.409 -9.562 431 HG13 ILE 59 2HG1 ILE 59 13.294 27.531 -8.172 432 HG21 ILE 59 1HG2 ILE 59 10.877 28.603 -11.477 433 HG22 ILE 59 2HG2 ILE 59 12.595 28.986 -11.392 434 HG23 ILE 59 3HG2 ILE 59 12.076 27.351 -11.798 435 HD11 ILE 59 3HD1 ILE 59 13.090 25.670 -10.147 436 HD12 ILE 59 1HD1 ILE 59 14.551 26.542 -10.612 437 HD13 ILE 59 2HD1 ILE 59 14.432 25.809 -9.011 438 H MET 60 H MET 60 9.154 27.501 -8.839 439 HA MET 60 HA MET 60 7.553 28.314 -10.852 440 HB2 MET 60 1HB MET 60 6.711 27.593 -8.042 441 HB3 MET 60 2HB MET 60 5.595 27.722 -9.394 442 HG2 MET 60 1HG MET 60 7.957 25.944 -9.678 443 HG3 MET 60 2HG MET 60 6.620 25.416 -8.660 444 HE1 MET 60 3HE MET 60 3.754 24.754 -10.710 445 HE2 MET 60 1HE MET 60 4.923 23.493 -10.315 446 HE3 MET 60 2HE MET 60 4.605 24.791 -9.165 447 H ALA 61 H ALA 61 8.212 30.076 -7.920 448 HA ALA 61 HA ALA 61 6.177 32.078 -8.530 449 HB1 ALA 61 1HB ALA 61 6.421 31.344 -6.210 450 HB2 ALA 61 2HB ALA 61 8.091 31.910 -6.205 451 HB3 ALA 61 3HB ALA 61 6.770 33.064 -6.382 452 H ASP 62 H ASP 62 9.633 32.204 -7.639 453 HA ASP 62 HA ASP 62 9.894 34.632 -9.263 454 HB2 ASP 62 1HB ASP 62 11.735 33.452 -7.172 455 HB3 ASP 62 2HB ASP 62 12.043 34.941 -8.061 456 HA PRO 63 HA PRO 63 11.852 32.132 -12.382 457 HB2 PRO 63 1HB PRO 63 12.444 34.186 -14.055 458 HB3 PRO 63 2HB PRO 63 10.820 33.505 -13.908 459 HG2 PRO 63 1HG PRO 63 11.960 35.973 -12.655 460 HG3 PRO 63 2HG PRO 63 10.373 35.732 -13.408 461 HD2 PRO 63 1HD PRO 63 10.731 35.708 -10.724 462 HD3 PRO 63 2HD PRO 63 9.497 34.720 -11.531 463 H ASN 64 H ASN 64 13.295 35.135 -11.157 464 HA ASN 64 HA ASN 64 15.870 34.882 -12.096 465 HB2 ASN 64 1HB ASN 64 14.954 35.929 -9.408 466 HB3 ASN 64 2HB ASN 64 16.560 36.182 -10.084 467 HD21 ASN 64 1HD2 ASN 64 14.385 38.058 -9.360 468 HD22 ASN 64 2HD2 ASN 64 14.108 38.999 -10.782 469 H LYS 65 H LYS 65 14.320 33.181 -9.459 470 HA LYS 65 HA LYS 65 16.665 32.084 -8.306 471 HB2 LYS 65 1HB LYS 65 13.798 31.127 -8.248 472 HB3 LYS 65 2HB LYS 65 15.090 30.447 -7.266 473 HG2 LYS 65 1HG LYS 65 14.642 33.374 -7.114 474 HG3 LYS 65 2HG LYS 65 13.454 32.314 -6.353 475 HD2 LYS 65 1HD LYS 65 14.896 32.552 -4.604 476 HD3 LYS 65 2HD LYS 65 15.655 31.171 -5.399 477 HE2 LYS 65 1HE LYS 65 17.257 32.953 -4.748 478 HE3 LYS 65 2HE LYS 65 17.256 32.599 -6.475 479 HZ1 LYS 65 3HZ LYS 65 15.385 34.637 -5.909 480 HZ2 LYS 65 1HZ LYS 65 16.751 34.696 -6.906 481 HZ3 LYS 65 2HZ LYS 65 16.889 35.061 -5.260 482 H ALA 66 H ALA 66 14.446 30.961 -10.813 483 HA ALA 66 HA ALA 66 15.124 28.370 -11.187 484 HB1 ALA 66 1HB ALA 66 15.130 29.930 -13.686 485 HB2 ALA 66 2HB ALA 66 14.152 28.540 -13.214 486 HB3 ALA 66 3HB ALA 66 13.727 30.153 -12.641 487 H ASP 67 H ASP 67 16.772 30.908 -13.074 488 HA ASP 67 HA ASP 67 18.820 29.527 -14.141 489 HB2 ASP 67 1HB ASP 67 20.228 31.696 -13.609 490 HB3 ASP 67 2HB ASP 67 18.873 31.754 -14.733 491 H GLU 68 H GLU 68 19.121 31.144 -10.971 492 HA GLU 68 HA GLU 68 21.579 30.144 -10.235 493 HB2 GLU 68 1HB GLU 68 20.220 31.866 -9.006 494 HB3 GLU 68 2HB GLU 68 19.264 30.550 -8.338 495 HG2 GLU 68 1HG GLU 68 22.211 30.438 -8.013 496 HG3 GLU 68 2HG GLU 68 21.306 31.596 -7.039 497 H VAL 69 H VAL 69 18.450 28.793 -9.171 498 HA VAL 69 HA VAL 69 19.321 26.527 -7.919 499 HB VAL 69 HB VAL 69 16.870 26.836 -9.656 500 HG11 VAL 69 1HG1 VAL 69 16.632 24.627 -9.463 501 HG12 VAL 69 2HG1 VAL 69 17.951 24.507 -8.297 502 HG13 VAL 69 3HG1 VAL 69 16.323 24.913 -7.751 503 HG21 VAL 69 3HG2 VAL 69 16.422 28.279 -7.968 504 HG22 VAL 69 1HG2 VAL 69 15.965 26.795 -7.132 505 HG23 VAL 69 2HG2 VAL 69 17.555 27.506 -6.860 506 H TYR 70 H TYR 70 18.297 26.617 -11.339 507 HA TYR 70 HA TYR 70 18.813 24.161 -12.224 508 HB2 TYR 70 1HB TYR 70 19.567 26.777 -13.511 509 HB3 TYR 70 2HB TYR 70 19.784 25.241 -14.343 510 HD1 TYR 70 1HD TYR 70 17.374 23.764 -13.556 511 HD2 TYR 70 2HD TYR 70 17.838 27.855 -14.632 512 HE1 TYR 70 1HE TYR 70 15.029 23.830 -14.294 513 HE2 TYR 70 2HE TYR 70 15.493 27.932 -15.371 514 HH TYR 70 HH TYR 70 13.305 26.495 -14.705 515 H LYS 71 H LYS 71 21.357 26.591 -11.719 516 HA LYS 71 HA LYS 71 23.519 24.960 -12.476 517 HB2 LYS 71 1HB LYS 71 23.193 27.492 -10.950 518 HB3 LYS 71 2HB LYS 71 24.718 26.635 -10.769 519 HG2 LYS 71 1HG LYS 71 24.881 28.312 -12.506 520 HG3 LYS 71 2HG LYS 71 25.038 26.694 -13.194 521 HD2 LYS 71 1HD LYS 71 22.954 26.780 -14.201 522 HD3 LYS 71 2HD LYS 71 22.359 28.022 -13.096 523 HE2 LYS 71 1HE LYS 71 24.507 28.477 -15.161 524 HE3 LYS 71 2HE LYS 71 22.799 28.826 -15.419 525 HZ1 LYS 71 3HZ LYS 71 24.379 30.006 -13.205 526 HZ2 LYS 71 1HZ LYS 71 22.836 30.463 -13.730 527 HZ3 LYS 71 2HZ LYS 71 24.185 30.759 -14.707 528 H LYS 72 H LYS 72 22.074 25.611 -9.302 529 HA LYS 72 HA LYS 72 23.852 24.195 -7.709 530 HB2 LYS 72 1HB LYS 72 20.976 24.945 -7.475 531 HB3 LYS 72 2HB LYS 72 21.618 23.772 -6.333 532 HG2 LYS 72 1HG LYS 72 21.814 25.863 -5.285 533 HG3 LYS 72 2HG LYS 72 23.441 25.450 -5.833 534 HD2 LYS 72 1HD LYS 72 21.678 27.055 -7.624 535 HD3 LYS 72 2HD LYS 72 22.441 27.848 -6.244 536 HE2 LYS 72 1HE LYS 72 24.089 26.150 -8.065 537 HE3 LYS 72 2HE LYS 72 23.641 27.778 -8.570 538 HZ1 LYS 72 3HZ LYS 72 25.816 27.594 -7.390 539 HZ2 LYS 72 1HZ LYS 72 24.966 27.186 -5.985 540 HZ3 LYS 72 2HZ LYS 72 24.737 28.700 -6.702 541 H TRP 73 H TRP 73 20.765 23.007 -9.049 542 HA TRP 73 HA TRP 73 20.809 20.417 -8.221 543 HB2 TRP 73 1HB TRP 73 19.855 21.678 -10.768 544 HB3 TRP 73 2HB TRP 73 19.767 19.930 -10.575 545 HD1 TRP 73 HD TRP 73 18.994 20.147 -7.372 546 HE1 TRP 73 1HE TRP 73 16.559 20.747 -6.792 547 HE3 TRP 73 3HE TRP 73 17.600 22.263 -11.812 548 HZ2 TRP 73 2HZ TRP 73 14.341 21.957 -8.050 549 HZ3 TRP 73 3HZ TRP 73 15.304 23.117 -12.042 550 HH2 TRP 73 HH TRP 73 13.710 22.965 -10.199 551 H ALA 74 H ALA 74 22.030 21.345 -11.444 552 HA ALA 74 HA ALA 74 23.243 19.051 -12.209 553 HB1 ALA 74 1HB ALA 74 23.369 21.733 -13.000 554 HB2 ALA 74 2HB ALA 74 25.042 21.210 -12.802 555 HB3 ALA 74 3HB ALA 74 23.963 20.324 -13.879 556 H ASP 75 H ASP 75 24.598 21.458 -9.995 557 HA ASP 75 HA ASP 75 27.132 20.280 -9.690 558 HB2 ASP 75 1HB ASP 75 26.153 22.604 -8.894 559 HB3 ASP 75 2HB ASP 75 25.855 21.715 -7.403 560 H LYS 76 H LYS 76 24.139 19.903 -7.823 561 HA LYS 76 HA LYS 76 25.060 18.258 -5.798 562 HB2 LYS 76 1HB LYS 76 22.381 18.161 -7.198 563 HB3 LYS 76 2HB LYS 76 22.738 17.414 -5.646 564 HG2 LYS 76 1HG LYS 76 23.002 20.364 -6.165 565 HG3 LYS 76 2HG LYS 76 21.539 19.606 -5.531 566 HD2 LYS 76 1HD LYS 76 22.955 18.667 -3.677 567 HD3 LYS 76 2HD LYS 76 24.271 19.687 -4.262 568 HE2 LYS 76 1HE LYS 76 22.666 21.638 -4.020 569 HE3 LYS 76 2HE LYS 76 21.615 20.536 -3.132 570 HZ1 LYS 76 3HZ LYS 76 24.198 21.672 -2.356 571 HZ2 LYS 76 1HZ LYS 76 23.821 20.119 -1.801 572 HZ3 LYS 76 2HZ LYS 76 22.806 21.420 -1.427 573 H GLY 77 H GLY 77 23.993 17.382 -9.062 574 HA2 GLY 77 1HA GLY 77 25.202 15.571 -10.173 575 HA3 GLY 77 2HA GLY 77 25.219 14.730 -8.631 576 H TYR 78 H TYR 78 22.525 16.399 -10.215 577 HA TYR 78 HA TYR 78 20.978 13.919 -10.018 578 HB2 TYR 78 1HB TYR 78 20.101 16.777 -10.478 579 HB3 TYR 78 2HB TYR 78 19.011 15.397 -10.410 580 HD1 TYR 78 1HD TYR 78 19.437 13.883 -8.199 581 HD2 TYR 78 2HD TYR 78 20.249 18.044 -8.565 582 HE1 TYR 78 1HE TYR 78 19.281 14.123 -5.756 583 HE2 TYR 78 2HE TYR 78 20.097 18.294 -6.123 584 HH TYR 78 HH TYR 78 18.694 16.177 -4.142 585 H THR 79 H THR 79 19.319 13.625 -11.820 586 HA THR 79 HA THR 79 20.312 14.457 -14.440 587 HB THR 79 HB THR 79 21.452 12.387 -14.244 588 HG1 THR 79 1HG THR 79 20.698 12.095 -16.205 589 HG21 THR 79 3HG2 THR 79 18.901 10.973 -13.510 590 HG22 THR 79 1HG2 THR 79 19.994 11.622 -12.289 591 HG23 THR 79 2HG2 THR 79 20.557 10.377 -13.405 592 H LEU 80 H LEU 80 18.763 14.420 -16.082 593 HA LEU 80 HA LEU 80 16.236 15.165 -15.619 594 HB2 LEU 80 1HB LEU 80 17.044 13.286 -17.834 595 HB3 LEU 80 2HB LEU 80 15.603 14.301 -17.817 596 HG LEU 80 HG LEU 80 18.452 15.297 -17.882 597 HD11 LEU 80 1HD1 LEU 80 17.339 14.128 -19.946 598 HD12 LEU 80 2HD1 LEU 80 18.250 15.625 -20.141 599 HD13 LEU 80 3HD1 LEU 80 16.488 15.666 -20.091 600 HD21 LEU 80 3HD2 LEU 80 17.654 17.292 -17.332 601 HD22 LEU 80 1HD2 LEU 80 16.063 16.575 -17.080 602 HD23 LEU 80 2HD2 LEU 80 16.498 17.221 -18.663 603 H THR 81 H THR 81 17.227 11.769 -15.980 604 HA THR 81 HA THR 81 14.820 10.490 -15.748 605 HB THR 81 HB THR 81 17.376 9.604 -14.397 606 HG1 THR 81 1HG THR 81 18.022 8.931 -16.333 607 HG21 THR 81 3HG2 THR 81 14.989 8.471 -14.037 608 HG22 THR 81 1HG2 THR 81 16.471 7.524 -14.158 609 HG23 THR 81 2HG2 THR 81 15.421 7.700 -15.563 610 H GLN 82 H GLN 82 16.951 11.318 -13.006 611 HA GLN 82 HA GLN 82 14.930 10.668 -11.078 612 HB2 GLN 82 1HB GLN 82 17.503 12.195 -10.658 613 HB3 GLN 82 2HB GLN 82 16.530 11.412 -9.420 614 HG2 GLN 82 1HG GLN 82 17.778 9.888 -11.683 615 HG3 GLN 82 2HG GLN 82 18.629 10.212 -10.173 616 HE21 GLN 82 1HE2 GLN 82 18.029 9.145 -8.321 617 HE22 GLN 82 2HE2 GLN 82 16.938 7.806 -8.318 618 H MET 83 H MET 83 16.564 13.729 -11.919 619 HA MET 83 HA MET 83 15.283 15.549 -10.443 620 HB2 MET 83 1HB MET 83 16.895 16.216 -12.112 621 HB3 MET 83 2HB MET 83 15.810 15.739 -13.411 622 HG2 MET 83 1HG MET 83 15.876 18.158 -13.120 623 HG3 MET 83 2HG MET 83 14.269 17.504 -12.817 624 HE1 MET 83 3HE MET 83 17.567 17.741 -11.005 625 HE2 MET 83 1HE MET 83 17.351 19.491 -10.963 626 HE3 MET 83 2HE MET 83 17.219 18.551 -9.477 627 H SER 84 H SER 84 13.970 14.700 -13.652 628 HA SER 84 HA SER 84 11.515 15.924 -13.393 629 HB2 SER 84 1HB SER 84 11.864 13.285 -14.815 630 HB3 SER 84 2HB SER 84 10.776 14.611 -15.229 631 HG SER 84 HG SER 84 12.583 14.627 -16.587 632 H ASN 85 H ASN 85 12.048 12.420 -12.963 633 HA ASN 85 HA ASN 85 9.679 11.585 -12.027 634 HB2 ASN 85 1HB ASN 85 12.471 10.852 -11.285 635 HB3 ASN 85 2HB ASN 85 11.165 10.199 -10.300 636 HD21 ASN 85 1HD2 ASN 85 11.940 10.688 -13.730 637 HD22 ASN 85 2HD2 ASN 85 11.390 9.135 -14.249 638 H PHE 86 H PHE 86 11.858 13.715 -10.353 639 HA PHE 86 HA PHE 86 10.417 13.529 -7.846 640 HB2 PHE 86 1HB PHE 86 12.643 15.399 -8.686 641 HB3 PHE 86 2HB PHE 86 12.018 15.217 -7.051 642 HD1 PHE 86 1HD PHE 86 11.739 12.267 -6.920 643 HD2 PHE 86 2HD PHE 86 14.855 14.705 -8.488 644 HE1 PHE 86 1HE PHE 86 13.357 10.461 -6.501 645 HE2 PHE 86 2HE PHE 86 16.478 12.903 -8.073 646 HZ PHE 86 HZ PHE 86 15.730 10.778 -7.079 647 H LEU 87 H LEU 87 10.863 15.884 -10.454 648 HA LEU 87 HA LEU 87 9.298 17.934 -9.308 649 HB2 LEU 87 1HB LEU 87 10.195 17.301 -12.094 650 HB3 LEU 87 2HB LEU 87 9.080 18.633 -11.792 651 HG LEU 87 HG LEU 87 11.807 18.405 -10.525 652 HD11 LEU 87 1HD1 LEU 87 11.507 18.714 -13.154 653 HD12 LEU 87 2HD1 LEU 87 12.753 19.556 -12.233 654 HD13 LEU 87 3HD1 LEU 87 11.256 20.387 -12.654 655 HD21 LEU 87 3HD2 LEU 87 11.409 20.404 -9.543 656 HD22 LEU 87 1HD2 LEU 87 9.734 19.865 -9.664 657 HD23 LEU 87 2HD2 LEU 87 10.391 20.977 -10.865 658 H LYS 88 H LYS 88 8.508 15.149 -11.285 659 HA LYS 88 HA LYS 88 5.840 15.932 -11.891 660 HB2 LYS 88 1HB LYS 88 5.561 13.467 -12.416 661 HB3 LYS 88 2HB LYS 88 6.818 14.309 -13.313 662 HG2 LYS 88 1HG LYS 88 8.511 13.189 -12.271 663 HG3 LYS 88 2HG LYS 88 7.577 12.924 -10.796 664 HD2 LYS 88 1HD LYS 88 7.619 10.801 -11.691 665 HD3 LYS 88 2HD LYS 88 6.104 11.422 -12.352 666 HE2 LYS 88 1HE LYS 88 7.129 11.884 -14.457 667 HE3 LYS 88 2HE LYS 88 8.736 11.553 -13.812 668 HZ1 LYS 88 3HZ LYS 88 7.309 9.269 -13.329 669 HZ2 LYS 88 1HZ LYS 88 8.453 9.495 -14.554 670 HZ3 LYS 88 2HZ LYS 88 6.811 9.740 -14.876 671 H SER 89 H SER 89 4.614 16.457 -10.150 672 HA SER 89 HA SER 89 4.515 14.645 -7.864 673 HB2 SER 89 1HB SER 89 4.638 17.215 -7.690 674 HB3 SER 89 2HB SER 89 2.934 17.194 -8.147 675 HG SER 89 HG SER 89 4.078 15.845 -5.924 676 H LYS 90 H LYS 90 3.537 13.329 -9.957 677 HA LYS 90 HA LYS 90 1.662 12.474 -11.008 678 HB2 LYS 90 1HB LYS 90 0.203 11.356 -9.393 679 HB3 LYS 90 2HB LYS 90 1.893 11.188 -8.937 680 HG2 LYS 90 1HG LYS 90 0.351 13.443 -7.774 681 HG3 LYS 90 2HG LYS 90 0.031 11.812 -7.179 682 HD2 LYS 90 1HD LYS 90 2.837 12.844 -7.398 683 HD3 LYS 90 2HD LYS 90 1.835 13.243 -6.001 684 HE2 LYS 90 1HE LYS 90 1.498 10.858 -5.567 685 HE3 LYS 90 2HE LYS 90 2.495 10.461 -6.966 686 HZ1 LYS 90 3HZ LYS 90 3.379 10.770 -4.410 687 HZ2 LYS 90 1HZ LYS 90 3.813 12.232 -5.143 688 HZ3 LYS 90 2HZ LYS 90 4.347 10.766 -5.798 689 H THR 91 H THR 91 1.506 15.222 -11.187 690 HA THR 91 HA THR 91 -1.375 15.697 -10.783 691 HB THR 91 HB THR 91 0.906 17.652 -10.509 692 HG1 THR 91 1HG THR 91 -1.256 17.201 -8.731 693 HG21 THR 91 3HG2 THR 91 -0.649 18.899 -11.743 694 HG22 THR 91 1HG2 THR 91 -1.012 19.304 -10.066 695 HG23 THR 91 2HG2 THR 91 -2.026 18.151 -10.934 696 H ALA 92 H ALA 92 -2.441 16.953 -12.385 697 HA ALA 92 HA ALA 92 -1.616 16.387 -15.035 698 HB1 ALA 92 1HB ALA 92 -3.823 16.613 -15.221 699 HB2 ALA 92 2HB ALA 92 -3.930 17.547 -13.728 700 HB3 ALA 92 3HB ALA 92 -3.547 18.355 -15.248 701 H GLY 93 H GLY 93 0.536 17.357 -14.984 702 HA2 GLY 93 1HA GLY 93 1.856 18.985 -16.002 703 HA3 GLY 93 2HA GLY 93 0.457 20.047 -16.060 704 H LYS 94 H LYS 94 3.134 18.919 -14.121 705 HA LYS 94 HA LYS 94 2.805 21.286 -12.409 706 HB2 LYS 94 1HB LYS 94 2.164 18.967 -11.376 707 HB3 LYS 94 2HB LYS 94 3.905 18.737 -11.278 708 HG2 LYS 94 1HG LYS 94 3.516 19.628 -9.224 709 HG3 LYS 94 2HG LYS 94 3.809 21.111 -10.135 710 HD2 LYS 94 1HD LYS 94 1.546 21.658 -10.208 711 HD3 LYS 94 2HD LYS 94 1.037 20.004 -9.863 712 HE2 LYS 94 1HE LYS 94 2.594 21.602 -7.859 713 HE3 LYS 94 2HE LYS 94 0.845 21.770 -7.996 714 HZ1 LYS 94 3HZ LYS 94 0.918 19.191 -7.824 715 HZ2 LYS 94 1HZ LYS 94 1.027 20.136 -6.425 716 HZ3 LYS 94 2HZ LYS 94 2.423 19.462 -7.100 717 H TYR 95 H TYR 95 4.587 22.493 -12.211 718 HA TYR 95 HA TYR 95 6.697 23.262 -12.590 719 HB2 TYR 95 1HB TYR 95 7.488 20.432 -11.876 720 HB3 TYR 95 2HB TYR 95 8.509 21.862 -11.778 721 HD1 TYR 95 2HD TYR 95 5.731 20.037 -10.231 722 HD2 TYR 95 1HD TYR 95 8.259 23.449 -9.966 723 HE1 TYR 95 2HE TYR 95 4.993 20.397 -7.913 724 HE2 TYR 95 1HE TYR 95 7.530 23.817 -7.646 725 HH TYR 95 HH TYR 95 6.570 22.322 -5.760 726 H ASP 96 H ASP 96 5.295 22.297 -14.881 727 HA ASP 96 HA ASP 96 6.908 20.670 -16.531 728 HB2 ASP 96 1HB ASP 96 4.407 21.468 -16.773 729 HB3 ASP 96 2HB ASP 96 5.135 22.776 -17.701 730 H ARG 97 H ARG 97 6.674 24.181 -16.144 731 HA ARG 97 HA ARG 97 8.527 24.805 -18.205 732 HB2 ARG 97 1HB ARG 97 6.894 26.440 -17.403 733 HB3 ARG 97 2HB ARG 97 7.647 26.432 -15.814 734 HG2 ARG 97 1HG ARG 97 9.510 27.597 -16.547 735 HG3 ARG 97 2HG ARG 97 9.237 27.165 -18.236 736 HD2 ARG 97 1HD ARG 97 7.482 28.701 -18.462 737 HD3 ARG 97 2HD ARG 97 7.290 28.869 -16.717 738 HE ARG 97 HE ARG 97 9.834 29.757 -17.281 739 HH11 ARG 97 2HH1 ARG 97 6.591 30.611 -18.214 740 HH12 ARG 97 1HH1 ARG 97 6.961 32.286 -18.453 741 HH21 ARG 97 2HH2 ARG 97 10.334 31.961 -17.592 742 HH22 ARG 97 1HH2 ARG 97 9.090 33.053 -18.099 743 H VAL 98 H VAL 98 8.819 24.531 -14.678 744 HA VAL 98 HA VAL 98 11.443 25.322 -14.349 745 HB VAL 98 HB VAL 98 9.966 23.135 -12.879 746 HG11 VAL 98 1HG1 VAL 98 12.709 23.873 -12.754 747 HG12 VAL 98 2HG1 VAL 98 11.926 24.389 -11.259 748 HG13 VAL 98 3HG1 VAL 98 11.836 22.702 -11.766 749 HG21 VAL 98 3HG2 VAL 98 10.459 25.740 -11.608 750 HG22 VAL 98 1HG2 VAL 98 9.348 25.771 -12.977 751 HG23 VAL 98 2HG2 VAL 98 9.017 24.725 -11.596 752 H TYR 99 H TYR 99 10.227 22.063 -15.089 753 HA TYR 99 HA TYR 99 12.677 20.733 -15.111 754 HB2 TYR 99 1HB TYR 99 10.668 19.444 -15.140 755 HB3 TYR 99 2HB TYR 99 10.116 20.213 -16.623 756 HD1 TYR 99 1HD TYR 99 13.070 18.259 -15.414 757 HD2 TYR 99 2HD TYR 99 10.300 18.983 -18.561 758 HE1 TYR 99 1HE TYR 99 14.097 16.450 -16.727 759 HE2 TYR 99 2HE TYR 99 11.318 17.176 -19.882 760 HH TYR 99 HH TYR 99 14.103 15.345 -18.650 761 H ASN 100 H ASN 100 10.910 22.230 -17.814 762 HA ASN 100 HA ASN 100 12.537 21.639 -19.918 763 HB2 ASN 100 1HB ASN 100 11.237 24.316 -19.366 764 HB3 ASN 100 2HB ASN 100 11.817 23.770 -20.937 765 HD21 ASN 100 1HD2 ASN 100 9.133 24.536 -20.052 766 HD22 ASN 100 2HD2 ASN 100 8.119 23.181 -20.399 767 H GLY 101 H GLY 101 12.860 24.665 -18.044 768 HA2 GLY 101 1HA GLY 101 15.138 25.703 -19.031 769 HA3 GLY 101 2HA GLY 101 14.785 25.728 -17.310 770 H TYR 102 H TYR 102 15.258 23.456 -16.262 771 HA TYR 102 HA TYR 102 17.993 23.107 -16.192 772 HB2 TYR 102 1HB TYR 102 16.273 22.264 -14.528 773 HB3 TYR 102 2HB TYR 102 16.016 20.900 -15.611 774 HD1 TYR 102 1HD TYR 102 19.136 22.640 -14.518 775 HD2 TYR 102 2HD TYR 102 16.909 19.016 -14.609 776 HE1 TYR 102 1HE TYR 102 21.024 21.461 -13.472 777 HE2 TYR 102 2HE TYR 102 18.791 17.827 -13.562 778 HH TYR 102 HH TYR 102 21.092 19.102 -11.928 779 H VAL 103 H VAL 103 15.609 21.121 -17.935 780 HA VAL 103 HA VAL 103 17.167 19.191 -19.038 781 HB VAL 103 HB VAL 103 14.997 20.737 -20.461 782 HG11 VAL 103 1HG1 VAL 103 16.549 18.305 -21.195 783 HG12 VAL 103 2HG1 VAL 103 14.839 18.380 -21.624 784 HG13 VAL 103 3HG1 VAL 103 15.952 19.614 -22.214 785 HG21 VAL 103 3HG2 VAL 103 14.752 19.269 -18.193 786 HG22 VAL 103 1HG2 VAL 103 13.469 19.487 -19.383 787 HG23 VAL 103 2HG2 VAL 103 14.473 18.038 -19.424 788 H ILE 104 H ILE 104 16.861 22.528 -20.178 789 HA ILE 104 HA ILE 104 18.544 22.178 -22.449 790 HB ILE 104 HB ILE 104 17.786 24.714 -20.995 791 HG12 ILE 104 1HG1 ILE 104 16.638 23.888 -23.626 792 HG13 ILE 104 2HG1 ILE 104 16.032 23.108 -22.169 793 HG21 ILE 104 1HG2 ILE 104 18.436 25.861 -23.054 794 HG22 ILE 104 2HG2 ILE 104 19.798 25.000 -22.339 795 HG23 ILE 104 3HG2 ILE 104 18.968 24.327 -23.742 796 HD11 ILE 104 3HD1 ILE 104 15.277 25.168 -21.280 797 HD12 ILE 104 1HD1 ILE 104 16.123 26.088 -22.524 798 HD13 ILE 104 2HD1 ILE 104 14.731 25.094 -22.956 799 H HIS 105 H HIS 105 19.059 23.462 -19.184 800 HA HIS 105 HA HIS 105 21.662 24.363 -19.438 801 HB2 HIS 105 1HB HIS 105 20.386 24.771 -17.423 802 HB3 HIS 105 2HB HIS 105 20.322 23.047 -17.068 803 HD1 HIS 105 1HD HIS 105 22.531 26.029 -16.817 804 HD2 HIS 105 2HD HIS 105 22.703 21.956 -16.015 805 HE1 HIS 105 1HE HIS 105 24.592 25.706 -15.412 806 HE2 HIS 105 2HE HIS 105 24.721 23.223 -15.011 807 H LEU 106 H LEU 106 20.469 21.087 -19.012 808 HA LEU 106 HA LEU 106 23.157 20.013 -18.770 809 HB2 LEU 106 1HB LEU 106 20.397 18.893 -18.599 810 HB3 LEU 106 2HB LEU 106 21.750 17.807 -18.907 811 HG LEU 106 HG LEU 106 21.412 19.583 -16.491 812 HD11 LEU 106 1HD1 LEU 106 20.215 17.156 -17.050 813 HD12 LEU 106 2HD1 LEU 106 20.430 17.876 -15.455 814 HD13 LEU 106 3HD1 LEU 106 21.614 16.722 -16.068 815 HD21 LEU 106 3HD2 LEU 106 23.625 19.407 -16.304 816 HD22 LEU 106 1HD2 LEU 106 23.720 18.237 -17.621 817 HD23 LEU 106 2HD2 LEU 106 23.367 17.692 -15.981 818 H ASP 107 H ASP 107 20.656 20.383 -21.165 819 HA ASP 107 HA ASP 107 21.226 18.521 -23.064 820 HB2 ASP 107 1HB ASP 107 19.456 20.125 -23.400 821 HB3 ASP 107 2HB ASP 107 20.612 21.452 -23.472 822 H TYR 108 H TYR 108 23.146 21.320 -22.212 823 HA TYR 108 HA TYR 108 24.824 21.697 -24.297 824 HB2 TYR 108 1HB TYR 108 26.344 22.625 -22.817 825 HB3 TYR 108 2HB TYR 108 24.868 22.653 -21.858 826 HD1 TYR 108 1HD TYR 108 24.492 20.737 -20.206 827 HD2 TYR 108 2HD TYR 108 28.254 21.527 -22.028 828 HE1 TYR 108 1HE TYR 108 25.612 19.448 -18.436 829 HE2 TYR 108 2HE TYR 108 29.385 20.239 -20.264 830 HH TYR 108 HH TYR 108 28.109 19.507 -17.417 Start of MODEL 20 1 H1 GLY 1 H GLY 1 32.283 37.430 -25.967 2 HA2 GLY 1 1HA GLY 1 32.732 35.043 -24.340 3 HA3 GLY 1 2HA GLY 1 34.105 36.112 -24.587 4 H SER 2 H SER 2 33.527 35.780 -22.066 5 HA SER 2 HA SER 2 32.843 38.357 -21.135 6 HB2 SER 2 1HB SER 2 30.560 37.252 -21.722 7 HB3 SER 2 2HB SER 2 30.823 36.313 -20.253 8 HG SER 2 HG SER 2 30.756 38.147 -19.057 9 H SER 3 H SER 3 34.328 38.514 -19.598 10 HA SER 3 HA SER 3 35.014 36.177 -17.988 11 HB2 SER 3 1HB SER 3 37.005 37.321 -17.388 12 HB3 SER 3 2HB SER 3 36.757 37.684 -19.096 13 HG SER 3 HG SER 3 37.149 39.428 -17.275 14 H GLY 4 H GLY 4 35.453 36.580 -15.622 15 HA2 GLY 4 1HA GLY 4 34.343 38.673 -14.165 16 HA3 GLY 4 2HA GLY 4 33.071 37.479 -14.376 17 H SER 5 H SER 5 33.578 37.868 -11.876 18 HA SER 5 HA SER 5 34.608 35.395 -10.936 19 HB2 SER 5 1HB SER 5 36.769 36.470 -11.315 20 HB3 SER 5 2HB SER 5 36.266 37.863 -10.358 21 HG SER 5 HG SER 5 37.508 36.452 -9.101 22 H SER 6 H SER 6 33.320 34.918 -9.298 23 HA SER 6 HA SER 6 32.813 36.818 -7.185 24 HB2 SER 6 1HB SER 6 31.078 37.211 -9.067 25 HB3 SER 6 2HB SER 6 30.379 35.679 -8.541 26 HG SER 6 HG SER 6 30.486 36.754 -6.351 27 H GLY 7 H GLY 7 32.167 35.850 -5.272 28 HA2 GLY 7 1HA GLY 7 31.833 32.917 -5.356 29 HA3 GLY 7 2HA GLY 7 32.938 33.675 -4.218 30 H ASN 8 H ASN 8 31.171 32.105 -3.081 31 HA ASN 8 HA ASN 8 29.598 33.903 -1.495 32 HB2 ASN 8 1HB ASN 8 27.429 33.134 -1.996 33 HB3 ASN 8 2HB ASN 8 28.181 33.372 -3.570 34 HD21 ASN 8 1HD2 ASN 8 26.037 31.826 -3.523 35 HD22 ASN 8 2HD2 ASN 8 26.451 30.158 -3.699 36 H VAL 9 H VAL 9 28.188 32.509 0.093 37 HA VAL 9 HA VAL 9 29.962 30.882 1.553 38 HB VAL 9 HB VAL 9 26.957 31.089 1.792 39 HG11 VAL 9 1HG1 VAL 9 28.786 29.327 3.053 40 HG12 VAL 9 2HG1 VAL 9 28.238 30.494 4.257 41 HG13 VAL 9 3HG1 VAL 9 27.063 29.527 3.365 42 HG21 VAL 9 3HG2 VAL 9 28.009 32.452 3.897 43 HG22 VAL 9 1HG2 VAL 9 29.179 32.812 2.627 44 HG23 VAL 9 2HG2 VAL 9 27.473 33.193 2.389 45 H ASP 10 H ASP 10 30.668 28.971 0.860 46 HA ASP 10 HA ASP 10 28.899 27.219 -0.662 47 HB2 ASP 10 1HB ASP 10 31.739 26.549 0.035 48 HB3 ASP 10 2HB ASP 10 30.804 26.083 -1.383 49 H SER 11 H SER 11 30.791 27.219 2.331 50 HA SER 11 HA SER 11 30.627 24.742 3.303 51 HB2 SER 11 1HB SER 11 30.310 25.675 5.568 52 HB3 SER 11 2HB SER 11 31.470 26.617 4.632 53 HG SER 11 HG SER 11 28.747 27.332 4.668 54 H ASN 12 H ASN 12 29.138 23.229 3.624 55 HA ASN 12 HA ASN 12 26.357 24.036 4.102 56 HB2 ASN 12 1HB ASN 12 25.483 22.561 2.476 57 HB3 ASN 12 2HB ASN 12 26.805 23.396 1.665 58 HD21 ASN 12 1HD2 ASN 12 28.856 22.272 1.522 59 HD22 ASN 12 2HD2 ASN 12 28.866 20.548 1.412 60 H GLN 13 H GLN 13 25.034 21.948 4.654 61 HA GLN 13 HA GLN 13 26.247 20.832 6.984 62 HB2 GLN 13 1HB GLN 13 23.603 20.439 5.609 63 HB3 GLN 13 2HB GLN 13 24.075 19.433 6.973 64 HG2 GLN 13 1HG GLN 13 24.416 21.545 8.283 65 HG3 GLN 13 2HG GLN 13 23.672 22.410 6.939 66 HE21 GLN 13 1HE2 GLN 13 23.064 19.571 8.981 67 HE22 GLN 13 2HE2 GLN 13 21.375 19.871 9.190 68 H ASN 14 H ASN 14 26.501 18.556 7.434 69 HA ASN 14 HA ASN 14 27.477 17.107 5.083 70 HB2 ASN 14 1HB ASN 14 28.797 17.550 7.332 71 HB3 ASN 14 2HB ASN 14 27.912 16.128 7.873 72 HD21 ASN 14 1HD2 ASN 14 29.759 17.227 5.049 73 HD22 ASN 14 2HD2 ASN 14 30.615 15.744 4.820 74 H LYS 15 H LYS 15 27.275 14.622 5.348 75 HA LYS 15 HA LYS 15 24.836 13.724 6.610 76 HB2 LYS 15 1HB LYS 15 23.819 12.894 4.527 77 HB3 LYS 15 2HB LYS 15 23.945 14.648 4.542 78 HG2 LYS 15 1HG LYS 15 26.033 14.423 3.182 79 HG3 LYS 15 2HG LYS 15 25.671 12.701 3.034 80 HD2 LYS 15 1HD LYS 15 23.450 13.340 2.071 81 HD3 LYS 15 2HD LYS 15 24.003 15.016 2.058 82 HE2 LYS 15 1HE LYS 15 24.413 14.204 -0.112 83 HE3 LYS 15 2HE LYS 15 25.981 14.195 0.695 84 HZ1 LYS 15 3HZ LYS 15 24.239 11.901 0.040 85 HZ2 LYS 15 1HZ LYS 15 25.439 11.779 1.227 86 HZ3 LYS 15 2HZ LYS 15 25.862 12.147 -0.368 87 H ALA 16 H ALA 16 24.518 11.372 6.346 88 HA ALA 16 HA ALA 16 27.078 9.999 5.841 89 HB1 ALA 16 1HB ALA 16 26.997 9.050 7.849 90 HB2 ALA 16 2HB ALA 16 25.679 10.155 8.239 91 HB3 ALA 16 3HB ALA 16 25.324 8.544 7.615 92 H SER 17 H SER 17 26.943 7.805 5.079 93 HA SER 17 HA SER 17 24.607 7.401 3.359 94 HB2 SER 17 1HB SER 17 27.103 7.367 2.565 95 HB3 SER 17 2HB SER 17 27.093 5.727 3.211 96 HG SER 17 HG SER 17 26.448 5.478 1.152 97 H MET 18 H MET 18 24.128 6.878 6.020 98 HA MET 18 HA MET 18 24.537 4.144 6.699 99 HB2 MET 18 1HB MET 18 22.863 6.372 7.791 100 HB3 MET 18 2HB MET 18 22.571 4.727 8.338 101 HG2 MET 18 1HG MET 18 24.633 4.559 9.363 102 HG3 MET 18 2HG MET 18 25.333 5.854 8.394 103 HE1 MET 18 3HE MET 18 25.963 5.840 11.423 104 HE2 MET 18 1HE MET 18 24.752 6.512 12.516 105 HE3 MET 18 2HE MET 18 24.491 4.933 11.775 106 H LEU 19 H LEU 19 23.666 2.534 5.571 107 HA LEU 19 HA LEU 19 20.800 2.443 5.197 108 HB2 LEU 19 1HB LEU 19 21.917 3.598 3.174 109 HB3 LEU 19 2HB LEU 19 22.495 1.983 2.770 110 HG LEU 19 HG LEU 19 20.357 2.855 1.635 111 HD11 LEU 19 1HD1 LEU 19 20.664 0.685 1.108 112 HD12 LEU 19 2HD1 LEU 19 19.302 0.450 2.203 113 HD13 LEU 19 3HD1 LEU 19 20.950 0.204 2.781 114 HD21 LEU 19 3HD2 LEU 19 18.328 2.720 2.794 115 HD22 LEU 19 1HD2 LEU 19 19.408 3.573 3.897 116 HD23 LEU 19 2HD2 LEU 19 19.057 1.863 4.153 117 H GLN 20 H GLN 20 20.006 0.371 5.069 118 HA GLN 20 HA GLN 20 21.943 -1.826 4.906 119 HB2 GLN 20 1HB GLN 20 21.166 -1.075 7.320 120 HB3 GLN 20 2HB GLN 20 19.740 -2.021 6.911 121 HG2 GLN 20 1HG GLN 20 21.585 -3.203 8.180 122 HG3 GLN 20 2HG GLN 20 20.963 -4.005 6.739 123 HE21 GLN 20 1HE2 GLN 20 22.717 -5.167 6.177 124 HE22 GLN 20 2HE2 GLN 20 24.240 -4.482 5.733 125 H ALA 21 H ALA 21 21.041 -3.859 4.296 126 HA ALA 21 HA ALA 21 18.554 -3.563 2.765 127 HB1 ALA 21 1HB ALA 21 19.370 -5.700 1.651 128 HB2 ALA 21 2HB ALA 21 20.294 -4.231 1.337 129 HB3 ALA 21 3HB ALA 21 20.896 -5.422 2.490 130 H ARG 22 H ARG 22 16.811 -4.861 3.090 131 HA ARG 22 HA ARG 22 16.443 -6.064 5.598 132 HB2 ARG 22 1HB ARG 22 14.906 -5.945 3.054 133 HB3 ARG 22 2HB ARG 22 14.454 -7.188 4.213 134 HG2 ARG 22 1HG ARG 22 13.073 -5.307 4.618 135 HG3 ARG 22 2HG ARG 22 14.246 -5.382 5.933 136 HD2 ARG 22 1HD ARG 22 14.765 -3.711 3.502 137 HD3 ARG 22 2HD ARG 22 13.756 -3.103 4.814 138 HE ARG 22 HE ARG 22 16.333 -4.121 5.633 139 HH11 ARG 22 2HH1 ARG 22 14.501 -1.344 4.606 140 HH12 ARG 22 1HH1 ARG 22 15.594 -0.199 5.311 141 HH21 ARG 22 2HH2 ARG 22 17.779 -2.624 6.566 142 HH22 ARG 22 1HH2 ARG 22 17.459 -0.929 6.425 143 H LEU 23 H LEU 23 15.903 -8.332 6.029 144 HA LEU 23 HA LEU 23 17.693 -10.122 4.537 145 HB2 LEU 23 1HB LEU 23 16.731 -10.061 7.367 146 HB3 LEU 23 2HB LEU 23 17.299 -11.571 6.658 147 HG LEU 23 HG LEU 23 19.042 -9.144 6.566 148 HD11 LEU 23 1HD1 LEU 23 18.571 -10.925 8.941 149 HD12 LEU 23 2HD1 LEU 23 18.489 -9.166 8.862 150 HD13 LEU 23 3HD1 LEU 23 20.046 -9.982 8.723 151 HD21 LEU 23 3HD2 LEU 23 19.684 -11.128 5.300 152 HD22 LEU 23 1HD2 LEU 23 19.588 -12.104 6.766 153 HD23 LEU 23 2HD2 LEU 23 20.805 -10.834 6.630 154 H ASN 24 H ASN 24 16.992 -12.423 4.407 155 HA ASN 24 HA ASN 24 14.835 -12.876 2.893 156 HB2 ASN 24 1HB ASN 24 16.521 -14.594 3.560 157 HB3 ASN 24 2HB ASN 24 15.673 -14.776 5.093 158 HD21 ASN 24 1HD2 ASN 24 15.243 -16.941 4.672 159 HD22 ASN 24 2HD2 ASN 24 14.043 -17.431 3.528 160 H ASP 25 H ASP 25 12.751 -12.430 3.074 161 HA ASP 25 HA ASP 25 11.473 -11.605 5.409 162 HB2 ASP 25 1HB ASP 25 9.340 -12.088 4.100 163 HB3 ASP 25 2HB ASP 25 10.487 -10.982 3.348 164 H GLU 26 H GLU 26 9.970 -12.601 6.783 165 HA GLU 26 HA GLU 26 10.084 -15.546 6.797 166 HB2 GLU 26 1HB GLU 26 11.374 -14.456 8.639 167 HB3 GLU 26 2HB GLU 26 9.873 -13.741 9.211 168 HG2 GLU 26 1HG GLU 26 8.955 -15.913 9.676 169 HG3 GLU 26 2HG GLU 26 10.365 -16.699 8.968 170 H ALA 27 H ALA 27 8.145 -15.769 5.659 171 HA ALA 27 HA ALA 27 5.885 -15.797 5.301 172 HB1 ALA 27 1HB ALA 27 6.336 -16.503 8.136 173 HB2 ALA 27 2HB ALA 27 4.673 -16.160 7.658 174 HB3 ALA 27 3HB ALA 27 5.582 -17.430 6.839 175 H GLY 28 H GLY 28 6.857 -13.188 5.365 176 HA2 GLY 28 1HA GLY 28 6.245 -10.994 5.733 177 HA3 GLY 28 2HA GLY 28 4.627 -11.625 5.462 178 H GLY 29 H GLY 29 3.210 -11.264 7.031 179 HA2 GLY 29 1HA GLY 29 3.733 -11.673 9.774 180 HA3 GLY 29 2HA GLY 29 3.846 -9.956 9.417 181 H THR 30 H THR 30 1.922 -9.138 8.044 182 HA THR 30 HA THR 30 -0.275 -8.502 8.266 183 HB THR 30 HB THR 30 -1.811 -10.061 7.379 184 HG1 THR 30 1HG THR 30 -0.167 -11.938 8.660 185 HG21 THR 30 3HG2 THR 30 0.988 -10.413 6.394 186 HG22 THR 30 1HG2 THR 30 -0.387 -9.632 5.613 187 HG23 THR 30 2HG2 THR 30 -0.303 -11.392 5.696 188 H ARG 31 H ARG 31 0.891 -8.859 10.787 189 HA ARG 31 HA ARG 31 -1.482 -9.579 12.332 190 HB2 ARG 31 1HB ARG 31 0.221 -11.512 12.215 191 HB3 ARG 31 2HB ARG 31 1.228 -10.508 13.249 192 HG2 ARG 31 1HG ARG 31 -0.494 -10.487 14.954 193 HG3 ARG 31 2HG ARG 31 -1.562 -11.426 13.910 194 HD2 ARG 31 1HD ARG 31 0.160 -13.232 13.900 195 HD3 ARG 31 2HD ARG 31 1.066 -12.304 15.094 196 HE ARG 31 HE ARG 31 -0.447 -12.942 16.702 197 HH11 ARG 31 2HH1 ARG 31 -1.683 -13.739 13.547 198 HH12 ARG 31 1HH1 ARG 31 -3.002 -14.682 14.158 199 HH21 ARG 31 2HH2 ARG 31 -2.179 -14.181 17.520 200 HH22 ARG 31 1HH2 ARG 31 -3.283 -14.932 16.418 201 H LEU 32 H LEU 32 -1.867 -8.223 13.993 202 HA LEU 32 HA LEU 32 -0.130 -5.931 14.293 203 HB2 LEU 32 1HB LEU 32 -2.685 -6.573 15.755 204 HB3 LEU 32 2HB LEU 32 -1.882 -5.006 15.664 205 HG LEU 32 HG LEU 32 -2.798 -6.285 13.134 206 HD11 LEU 32 1HD1 LEU 32 -4.630 -4.797 15.009 207 HD12 LEU 32 2HD1 LEU 32 -4.695 -6.529 14.683 208 HD13 LEU 32 3HD1 LEU 32 -5.023 -5.376 13.390 209 HD21 LEU 32 3HD2 LEU 32 -1.674 -3.839 13.889 210 HD22 LEU 32 1HD2 LEU 32 -3.361 -3.489 13.510 211 HD23 LEU 32 2HD2 LEU 32 -2.333 -4.275 12.311 212 H LEU 33 H LEU 33 1.249 -8.109 15.130 213 HA LEU 33 HA LEU 33 1.158 -7.964 18.069 214 HB2 LEU 33 1HB LEU 33 0.861 -10.203 17.446 215 HB3 LEU 33 2HB LEU 33 2.080 -10.101 16.178 216 HG LEU 33 HG LEU 33 3.763 -9.795 18.094 217 HD11 LEU 33 1HD1 LEU 33 2.878 -11.110 20.148 218 HD12 LEU 33 2HD1 LEU 33 1.292 -10.598 19.571 219 HD13 LEU 33 3HD1 LEU 33 2.509 -9.392 19.991 220 HD21 LEU 33 3HD2 LEU 33 2.323 -12.327 17.397 221 HD22 LEU 33 1HD2 LEU 33 3.659 -12.333 18.548 222 HD23 LEU 33 2HD2 LEU 33 3.923 -11.778 16.895 223 H ARG 34 H ARG 34 3.119 -7.753 19.228 224 HA ARG 34 HA ARG 34 4.863 -5.821 18.447 225 HB2 ARG 34 1HB ARG 34 5.542 -8.190 20.201 226 HB3 ARG 34 2HB ARG 34 6.424 -6.670 20.146 227 HG2 ARG 34 1HG ARG 34 3.572 -7.035 21.039 228 HG3 ARG 34 2HG ARG 34 4.968 -6.758 22.081 229 HD2 ARG 34 1HD ARG 34 5.317 -4.612 20.739 230 HD3 ARG 34 2HD ARG 34 3.685 -4.875 20.125 231 HE ARG 34 HE ARG 34 3.470 -5.035 22.857 232 HH11 ARG 34 2HH1 ARG 34 4.570 -2.659 20.563 233 HH12 ARG 34 1HH1 ARG 34 4.128 -1.308 21.554 234 HH21 ARG 34 2HH2 ARG 34 2.884 -3.265 24.171 235 HH22 ARG 34 1HH2 ARG 34 3.170 -1.653 23.606 236 H VAL 35 H VAL 35 6.938 -5.731 17.552 237 HA VAL 35 HA VAL 35 7.640 -8.054 15.880 238 HB VAL 35 HB VAL 35 7.046 -6.161 14.510 239 HG11 VAL 35 1HG1 VAL 35 9.158 -4.615 16.010 240 HG12 VAL 35 2HG1 VAL 35 8.204 -4.025 14.648 241 HG13 VAL 35 3HG1 VAL 35 7.416 -4.403 16.180 242 HG21 VAL 35 3HG2 VAL 35 9.657 -5.685 13.769 243 HG22 VAL 35 1HG2 VAL 35 9.742 -7.251 14.576 244 HG23 VAL 35 2HG2 VAL 35 8.649 -7.020 13.212 245 H HIS 36 H HIS 36 8.937 -5.481 17.925 246 HA HIS 36 HA HIS 36 10.890 -5.272 19.071 247 HB2 HIS 36 1HB HIS 36 10.083 -7.651 19.751 248 HB3 HIS 36 2HB HIS 36 11.393 -8.212 18.715 249 HD1 HIS 36 1HD HIS 36 13.736 -8.106 19.645 250 HD2 HIS 36 2HD HIS 36 10.955 -6.164 22.045 251 HE1 HIS 36 1HE HIS 36 14.954 -7.554 21.775 252 HE2 HIS 36 2HE HIS 36 13.228 -6.456 23.244 253 H HIS 37 H HIS 37 11.142 -4.535 16.512 254 HA HIS 37 HA HIS 37 13.914 -5.173 15.956 255 HB2 HIS 37 1HB HIS 37 12.473 -6.845 14.686 256 HB3 HIS 37 2HB HIS 37 11.894 -5.481 13.735 257 HD1 HIS 37 1HD HIS 37 13.180 -5.048 11.672 258 HD2 HIS 37 2HD HIS 37 15.460 -7.034 14.522 259 HE1 HIS 37 1HE HIS 37 15.387 -5.515 10.561 260 HE2 HIS 37 2HE HIS 37 16.719 -6.792 12.276 261 H GLU 38 H GLU 38 15.001 -3.481 15.089 262 HA GLU 38 HA GLU 38 13.819 -0.926 15.113 263 HB2 GLU 38 1HB GLU 38 15.956 -0.143 14.168 264 HB3 GLU 38 2HB GLU 38 16.194 -1.231 15.529 265 HG2 GLU 38 1HG GLU 38 16.205 -2.360 12.778 266 HG3 GLU 38 2HG GLU 38 17.612 -1.458 13.337 267 H SER 39 H SER 39 12.993 0.354 13.543 268 HA SER 39 HA SER 39 12.464 -0.916 10.965 269 HB2 SER 39 1HB SER 39 10.829 0.962 10.675 270 HB3 SER 39 2HB SER 39 10.511 -0.045 12.087 271 HG SER 39 HG SER 39 11.321 2.600 11.933 272 H ASP 40 H ASP 40 12.774 0.206 8.980 273 HA ASP 40 HA ASP 40 14.880 2.264 9.115 274 HB2 ASP 40 1HB ASP 40 14.452 0.262 6.889 275 HB3 ASP 40 2HB ASP 40 15.790 1.396 7.050 276 H THR 41 H THR 41 14.879 3.883 7.464 277 HA THR 41 HA THR 41 12.323 4.207 6.048 278 HB THR 41 HB THR 41 13.741 6.427 7.533 279 HG1 THR 41 1HG THR 41 12.558 4.816 8.832 280 HG21 THR 41 3HG2 THR 41 10.960 6.646 6.501 281 HG22 THR 41 1HG2 THR 41 12.284 6.785 5.346 282 HG23 THR 41 2HG2 THR 41 12.187 7.894 6.714 283 H GLU 42 H GLU 42 12.827 4.158 3.957 284 HA GLU 42 HA GLU 42 15.376 4.747 2.903 285 HB2 GLU 42 1HB GLU 42 12.679 4.530 1.559 286 HB3 GLU 42 2HB GLU 42 14.198 4.691 0.688 287 HG2 GLU 42 1HG GLU 42 13.727 2.407 0.663 288 HG3 GLU 42 2HG GLU 42 14.951 2.602 1.916 289 H GLU 43 H GLU 43 15.842 6.830 3.806 290 HA GLU 43 HA GLU 43 14.268 9.114 3.069 291 HB2 GLU 43 1HB GLU 43 15.631 10.324 4.454 292 HB3 GLU 43 2HB GLU 43 15.905 8.717 5.113 293 HG2 GLU 43 1HG GLU 43 17.674 10.026 3.063 294 HG3 GLU 43 2HG GLU 43 17.965 10.066 4.801 295 H ARG 44 H ARG 44 16.513 7.226 1.450 296 HA ARG 44 HA ARG 44 17.973 9.124 -0.020 297 HB2 ARG 44 1HB ARG 44 18.310 7.269 -1.654 298 HB3 ARG 44 2HB ARG 44 18.681 6.828 0.007 299 HG2 ARG 44 1HG ARG 44 16.834 5.454 0.196 300 HG3 ARG 44 2HG ARG 44 15.976 6.258 -1.120 301 HD2 ARG 44 1HD ARG 44 16.613 4.359 -2.206 302 HD3 ARG 44 2HD ARG 44 18.034 5.355 -2.519 303 HE ARG 44 HE ARG 44 18.588 4.054 -0.176 304 HH11 ARG 44 2HH1 ARG 44 17.732 3.093 -3.411 305 HH12 ARG 44 1HH1 ARG 44 18.603 1.597 -3.336 306 HH21 ARG 44 2HH2 ARG 44 19.738 2.087 -0.065 307 HH22 ARG 44 1HH2 ARG 44 19.742 1.025 -1.432 308 H GLY 45 H GLY 45 14.813 7.650 -0.561 309 HA2 GLY 45 1HA GLY 45 14.508 9.109 -3.077 310 HA3 GLY 45 2HA GLY 45 13.409 7.894 -2.441 311 H PHE 46 H PHE 46 13.576 9.345 0.235 312 HA PHE 46 HA PHE 46 11.285 11.016 -0.219 313 HB2 PHE 46 1HB PHE 46 11.199 9.800 1.793 314 HB3 PHE 46 2HB PHE 46 12.854 10.223 2.222 315 HD1 PHE 46 1HD PHE 46 9.377 11.342 2.171 316 HD2 PHE 46 2HD PHE 46 13.373 12.358 3.226 317 HE1 PHE 46 1HE PHE 46 8.538 13.208 3.537 318 HE2 PHE 46 2HE PHE 46 12.541 14.226 4.594 319 HZ PHE 46 HZ PHE 46 10.120 14.653 4.751 320 H LEU 47 H LEU 47 14.326 11.720 1.505 321 HA LEU 47 HA LEU 47 14.142 14.453 1.572 322 HB2 LEU 47 1HB LEU 47 16.456 12.575 1.450 323 HB3 LEU 47 2HB LEU 47 16.750 14.310 1.358 324 HG LEU 47 HG LEU 47 15.155 13.150 3.614 325 HD11 LEU 47 1HD1 LEU 47 17.370 13.198 4.875 326 HD12 LEU 47 2HD1 LEU 47 18.138 13.168 3.288 327 HD13 LEU 47 3HD1 LEU 47 17.089 11.840 3.784 328 HD21 LEU 47 3HD2 LEU 47 16.897 15.595 3.322 329 HD22 LEU 47 1HD2 LEU 47 16.026 15.123 4.781 330 HD23 LEU 47 2HD2 LEU 47 15.133 15.563 3.326 331 H GLU 48 H GLU 48 15.972 12.628 -0.893 332 HA GLU 48 HA GLU 48 16.736 14.604 -2.571 333 HB2 GLU 48 1HB GLU 48 17.109 12.134 -2.876 334 HB3 GLU 48 2HB GLU 48 15.495 12.037 -3.564 335 HG2 GLU 48 1HG GLU 48 16.099 13.363 -5.420 336 HG3 GLU 48 2HG GLU 48 17.618 13.848 -4.669 337 H LYS 49 H LYS 49 13.602 12.925 -2.865 338 HA LYS 49 HA LYS 49 12.544 14.568 -4.864 339 HB2 LYS 49 1HB LYS 49 11.697 12.306 -3.828 340 HB3 LYS 49 2HB LYS 49 10.768 13.366 -2.775 341 HG2 LYS 49 1HG LYS 49 9.895 14.462 -4.886 342 HG3 LYS 49 2HG LYS 49 10.604 13.103 -5.761 343 HD2 LYS 49 1HD LYS 49 9.240 11.543 -4.505 344 HD3 LYS 49 2HD LYS 49 8.591 12.859 -3.525 345 HE2 LYS 49 1HE LYS 49 8.310 12.885 -6.507 346 HE3 LYS 49 2HE LYS 49 7.195 11.953 -5.508 347 HZ1 LYS 49 3HZ LYS 49 6.069 13.810 -5.154 348 HZ2 LYS 49 1HZ LYS 49 7.197 14.720 -6.027 349 HZ3 LYS 49 2HZ LYS 49 7.408 14.479 -4.367 350 H ALA 50 H ALA 50 12.338 14.812 -1.337 351 HA ALA 50 HA ALA 50 10.554 16.933 -1.138 352 HB1 ALA 50 1HB ALA 50 10.905 16.369 0.984 353 HB2 ALA 50 2HB ALA 50 12.445 15.602 0.593 354 HB3 ALA 50 3HB ALA 50 12.380 17.334 0.921 355 H ALA 51 H ALA 51 14.111 17.183 -0.920 356 HA ALA 51 HA ALA 51 14.299 19.940 -1.019 357 HB1 ALA 51 1HB ALA 51 16.604 19.483 -2.034 358 HB2 ALA 51 2HB ALA 51 16.251 18.787 -0.453 359 HB3 ALA 51 3HB ALA 51 16.182 17.776 -1.896 360 H VAL 52 H VAL 52 14.602 17.679 -3.764 361 HA VAL 52 HA VAL 52 14.952 19.439 -5.825 362 HB VAL 52 HB VAL 52 13.189 16.985 -5.899 363 HG11 VAL 52 1HG1 VAL 52 14.699 17.738 -8.291 364 HG12 VAL 52 2HG1 VAL 52 13.027 17.197 -8.125 365 HG13 VAL 52 3HG1 VAL 52 13.441 18.888 -7.839 366 HG21 VAL 52 3HG2 VAL 52 15.793 17.029 -5.186 367 HG22 VAL 52 1HG2 VAL 52 15.027 15.685 -6.033 368 HG23 VAL 52 2HG2 VAL 52 15.945 16.889 -6.937 369 H LYS 53 H LYS 53 11.780 18.257 -4.693 370 HA LYS 53 HA LYS 53 10.223 19.920 -6.316 371 HB2 LYS 53 1HB LYS 53 9.745 18.408 -3.785 372 HB3 LYS 53 2HB LYS 53 8.533 19.568 -4.312 373 HG2 LYS 53 1HG LYS 53 9.571 17.390 -6.100 374 HG3 LYS 53 2HG LYS 53 8.189 17.170 -5.023 375 HD2 LYS 53 1HD LYS 53 8.200 19.533 -6.829 376 HD3 LYS 53 2HD LYS 53 7.888 17.946 -7.536 377 HE2 LYS 53 1HE LYS 53 5.759 18.659 -6.998 378 HE3 LYS 53 2HE LYS 53 6.192 17.703 -5.582 379 HZ1 LYS 53 3HZ LYS 53 5.375 20.339 -5.630 380 HZ2 LYS 53 1HZ LYS 53 7.024 20.390 -5.255 381 HZ3 LYS 53 2HZ LYS 53 5.966 19.478 -4.299 382 H LYS 54 H LYS 54 11.104 20.339 -2.886 383 HA LYS 54 HA LYS 54 9.927 22.706 -2.292 384 HB2 LYS 54 1HB LYS 54 12.526 21.487 -1.496 385 HB3 LYS 54 2HB LYS 54 12.237 23.162 -1.044 386 HG2 LYS 54 1HG LYS 54 10.027 22.330 -0.068 387 HG3 LYS 54 2HG LYS 54 10.720 20.713 -0.221 388 HD2 LYS 54 1HD LYS 54 12.337 22.834 1.105 389 HD3 LYS 54 2HD LYS 54 10.989 22.122 1.995 390 HE2 LYS 54 1HE LYS 54 12.923 20.322 0.615 391 HE3 LYS 54 2HE LYS 54 13.404 21.089 2.128 392 HZ1 LYS 54 3HZ LYS 54 11.053 20.181 2.856 393 HZ2 LYS 54 1HZ LYS 54 12.443 19.221 2.942 394 HZ3 LYS 54 2HZ LYS 54 11.374 19.047 1.643 395 H MET 55 H MET 55 13.212 22.477 -3.676 396 HA MET 55 HA MET 55 13.701 25.148 -4.083 397 HB2 MET 55 1HB MET 55 14.504 22.779 -5.773 398 HB3 MET 55 2HB MET 55 15.144 24.399 -6.014 399 HG2 MET 55 1HG MET 55 15.321 23.203 -3.302 400 HG3 MET 55 2HG MET 55 16.407 22.611 -4.557 401 HE1 MET 55 3HE MET 55 18.180 23.394 -5.316 402 HE2 MET 55 1HE MET 55 18.709 25.069 -5.485 403 HE3 MET 55 2HE MET 55 19.151 24.146 -4.049 404 H ALA 56 H ALA 56 11.997 22.913 -6.250 405 HA ALA 56 HA ALA 56 11.597 24.533 -8.437 406 HB1 ALA 56 1HB ALA 56 10.817 22.063 -7.835 407 HB2 ALA 56 2HB ALA 56 9.285 22.895 -7.566 408 HB3 ALA 56 3HB ALA 56 10.078 22.995 -9.138 409 H LYS 57 H LYS 57 9.444 24.238 -5.609 410 HA LYS 57 HA LYS 57 7.481 26.014 -6.272 411 HB2 LYS 57 1HB LYS 57 8.778 25.581 -3.579 412 HB3 LYS 57 2HB LYS 57 7.290 26.490 -3.811 413 HG2 LYS 57 1HG LYS 57 6.351 24.399 -4.894 414 HG3 LYS 57 2HG LYS 57 7.768 23.561 -4.258 415 HD2 LYS 57 1HD LYS 57 6.294 23.207 -2.543 416 HD3 LYS 57 2HD LYS 57 7.020 24.724 -2.011 417 HE2 LYS 57 1HE LYS 57 5.143 25.935 -3.102 418 HE3 LYS 57 2HE LYS 57 4.400 24.378 -3.464 419 HZ1 LYS 57 3HZ LYS 57 5.114 25.147 -0.701 420 HZ2 LYS 57 1HZ LYS 57 4.035 23.950 -1.216 421 HZ3 LYS 57 2HZ LYS 57 3.630 25.583 -1.385 422 H ALA 58 H ALA 58 10.594 26.808 -4.750 423 HA ALA 58 HA ALA 58 10.227 29.548 -4.459 424 HB1 ALA 58 1HB ALA 58 12.422 27.700 -4.331 425 HB2 ALA 58 2HB ALA 58 12.926 29.198 -5.113 426 HB3 ALA 58 3HB ALA 58 12.207 29.242 -3.503 427 H ILE 59 H ILE 59 11.468 27.724 -7.236 428 HA ILE 59 HA ILE 59 12.128 29.931 -8.844 429 HB ILE 59 HB ILE 59 11.269 27.162 -9.693 430 HG12 ILE 59 1HG1 ILE 59 14.083 28.215 -9.631 431 HG13 ILE 59 2HG1 ILE 59 13.351 27.537 -8.181 432 HG21 ILE 59 1HG2 ILE 59 12.396 27.672 -11.809 433 HG22 ILE 59 2HG2 ILE 59 11.035 28.754 -11.515 434 HG23 ILE 59 3HG2 ILE 59 12.685 29.320 -11.252 435 HD11 ILE 59 3HD1 ILE 59 14.771 26.080 -9.868 436 HD12 ILE 59 1HD1 ILE 59 13.396 25.420 -8.984 437 HD13 ILE 59 2HD1 ILE 59 13.204 25.931 -10.662 438 H MET 60 H MET 60 9.206 27.885 -8.876 439 HA MET 60 HA MET 60 7.729 28.984 -10.843 440 HB2 MET 60 1HB MET 60 6.708 28.311 -8.078 441 HB3 MET 60 2HB MET 60 5.707 28.488 -9.513 442 HG2 MET 60 1HG MET 60 7.950 26.526 -9.519 443 HG3 MET 60 2HG MET 60 6.443 26.131 -8.697 444 HE1 MET 60 3HE MET 60 4.183 24.938 -11.257 445 HE2 MET 60 1HE MET 60 4.689 25.106 -9.576 446 HE3 MET 60 2HE MET 60 3.879 26.444 -10.390 447 H ALA 61 H ALA 61 8.039 30.334 -7.571 448 HA ALA 61 HA ALA 61 6.379 32.584 -8.057 449 HB1 ALA 61 1HB ALA 61 6.657 31.973 -5.807 450 HB2 ALA 61 2HB ALA 61 8.416 31.958 -5.940 451 HB3 ALA 61 3HB ALA 61 7.541 33.489 -5.983 452 H ASP 62 H ASP 62 9.927 32.330 -7.751 453 HA ASP 62 HA ASP 62 10.141 34.786 -9.365 454 HB2 ASP 62 1HB ASP 62 11.958 33.703 -7.208 455 HB3 ASP 62 2HB ASP 62 12.405 35.032 -8.274 456 HA PRO 63 HA PRO 63 11.977 32.163 -12.434 457 HB2 PRO 63 1HB PRO 63 12.748 34.147 -14.119 458 HB3 PRO 63 2HB PRO 63 11.072 33.606 -13.976 459 HG2 PRO 63 1HG PRO 63 12.409 35.979 -12.733 460 HG3 PRO 63 2HG PRO 63 10.811 35.866 -13.494 461 HD2 PRO 63 1HD PRO 63 11.152 35.833 -10.808 462 HD3 PRO 63 2HD PRO 63 9.843 34.945 -11.615 463 H ASN 64 H ASN 64 13.685 35.114 -11.399 464 HA ASN 64 HA ASN 64 16.221 34.590 -12.267 465 HB2 ASN 64 1HB ASN 64 15.812 35.637 -9.482 466 HB3 ASN 64 2HB ASN 64 16.991 36.136 -10.691 467 HD21 ASN 64 1HD2 ASN 64 16.562 37.875 -11.861 468 HD22 ASN 64 2HD2 ASN 64 15.031 38.670 -11.957 469 H LYS 65 H LYS 65 14.539 33.124 -9.568 470 HA LYS 65 HA LYS 65 16.743 31.893 -8.324 471 HB2 LYS 65 1HB LYS 65 13.796 31.300 -8.374 472 HB3 LYS 65 2HB LYS 65 14.916 30.241 -7.527 473 HG2 LYS 65 1HG LYS 65 14.707 33.192 -6.994 474 HG3 LYS 65 2HG LYS 65 13.788 31.970 -6.112 475 HD2 LYS 65 1HD LYS 65 15.655 31.133 -5.059 476 HD3 LYS 65 2HD LYS 65 16.748 31.672 -6.336 477 HE2 LYS 65 1HE LYS 65 17.268 33.192 -4.713 478 HE3 LYS 65 2HE LYS 65 15.960 34.056 -5.520 479 HZ1 LYS 65 3HZ LYS 65 14.910 32.352 -3.526 480 HZ2 LYS 65 1HZ LYS 65 14.792 34.035 -3.655 481 HZ3 LYS 65 2HZ LYS 65 16.107 33.339 -2.850 482 H ALA 66 H ALA 66 14.720 30.940 -11.031 483 HA ALA 66 HA ALA 66 15.322 28.268 -11.290 484 HB1 ALA 66 1HB ALA 66 13.896 29.965 -12.761 485 HB2 ALA 66 2HB ALA 66 15.330 29.867 -13.784 486 HB3 ALA 66 3HB ALA 66 14.436 28.402 -13.377 487 H ASP 67 H ASP 67 17.104 30.949 -12.832 488 HA ASP 67 HA ASP 67 19.132 29.541 -14.017 489 HB2 ASP 67 1HB ASP 67 19.039 32.269 -12.772 490 HB3 ASP 67 2HB ASP 67 20.554 31.649 -13.422 491 H GLU 68 H GLU 68 19.265 30.936 -10.735 492 HA GLU 68 HA GLU 68 21.726 29.887 -9.991 493 HB2 GLU 68 1HB GLU 68 19.344 30.340 -8.186 494 HB3 GLU 68 2HB GLU 68 21.027 30.246 -7.685 495 HG2 GLU 68 1HG GLU 68 19.847 32.359 -9.476 496 HG3 GLU 68 2HG GLU 68 20.220 32.547 -7.763 497 H VAL 69 H VAL 69 18.526 28.574 -9.109 498 HA VAL 69 HA VAL 69 19.303 26.242 -7.903 499 HB VAL 69 HB VAL 69 16.921 26.636 -9.719 500 HG11 VAL 69 1HG1 VAL 69 16.108 24.756 -8.002 501 HG12 VAL 69 2HG1 VAL 69 16.856 24.376 -9.554 502 HG13 VAL 69 3HG1 VAL 69 17.821 24.345 -8.078 503 HG21 VAL 69 3HG2 VAL 69 16.199 27.970 -8.089 504 HG22 VAL 69 1HG2 VAL 69 16.117 26.543 -7.056 505 HG23 VAL 69 2HG2 VAL 69 17.565 27.550 -7.055 506 H TYR 70 H TYR 70 18.360 26.465 -11.340 507 HA TYR 70 HA TYR 70 18.892 24.012 -12.266 508 HB2 TYR 70 1HB TYR 70 19.708 26.622 -13.552 509 HB3 TYR 70 2HB TYR 70 19.722 25.075 -14.392 510 HD1 TYR 70 1HD TYR 70 17.238 23.835 -13.435 511 HD2 TYR 70 2HD TYR 70 18.021 27.860 -14.569 512 HE1 TYR 70 1HE TYR 70 14.866 24.126 -14.017 513 HE2 TYR 70 2HE TYR 70 15.651 28.163 -15.153 514 HH TYR 70 HH TYR 70 13.577 25.785 -15.710 515 H LYS 71 H LYS 71 21.366 26.447 -11.567 516 HA LYS 71 HA LYS 71 23.560 24.836 -12.394 517 HB2 LYS 71 1HB LYS 71 23.513 27.209 -10.520 518 HB3 LYS 71 2HB LYS 71 24.950 26.519 -11.263 519 HG2 LYS 71 1HG LYS 71 24.406 27.318 -13.366 520 HG3 LYS 71 2HG LYS 71 22.697 27.501 -12.964 521 HD2 LYS 71 1HD LYS 71 23.382 29.692 -12.906 522 HD3 LYS 71 2HD LYS 71 23.624 29.234 -11.219 523 HE2 LYS 71 1HE LYS 71 25.838 28.927 -13.210 524 HE3 LYS 71 2HE LYS 71 25.505 30.498 -12.483 525 HZ1 LYS 71 3HZ LYS 71 26.278 29.839 -10.489 526 HZ2 LYS 71 1HZ LYS 71 27.140 28.709 -11.407 527 HZ3 LYS 71 2HZ LYS 71 25.700 28.257 -10.644 528 H LYS 72 H LYS 72 22.057 25.512 -9.261 529 HA LYS 72 HA LYS 72 23.894 24.131 -7.654 530 HB2 LYS 72 1HB LYS 72 20.957 24.719 -7.280 531 HB3 LYS 72 2HB LYS 72 21.947 23.961 -6.039 532 HG2 LYS 72 1HG LYS 72 23.306 25.894 -5.821 533 HG3 LYS 72 2HG LYS 72 22.597 26.631 -7.260 534 HD2 LYS 72 1HD LYS 72 20.399 26.651 -6.072 535 HD3 LYS 72 2HD LYS 72 21.238 26.102 -4.620 536 HE2 LYS 72 1HE LYS 72 22.142 28.556 -6.081 537 HE3 LYS 72 2HE LYS 72 20.800 28.631 -4.940 538 HZ1 LYS 72 3HZ LYS 72 22.988 29.163 -3.953 539 HZ2 LYS 72 1HZ LYS 72 23.493 27.580 -4.270 540 HZ3 LYS 72 2HZ LYS 72 22.216 27.861 -3.198 541 H TRP 73 H TRP 73 20.772 23.037 -8.982 542 HA TRP 73 HA TRP 73 20.721 20.467 -8.025 543 HB2 TRP 73 1HB TRP 73 19.721 21.703 -10.566 544 HB3 TRP 73 2HB TRP 73 19.581 19.963 -10.333 545 HD1 TRP 73 HD TRP 73 18.960 20.344 -7.086 546 HE1 TRP 73 1HE TRP 73 16.559 21.011 -6.442 547 HE3 TRP 73 3HE TRP 73 17.414 22.243 -11.573 548 HZ2 TRP 73 2HZ TRP 73 14.307 22.186 -7.673 549 HZ3 TRP 73 3HZ TRP 73 15.122 23.118 -11.756 550 HH2 TRP 73 HH TRP 73 13.602 23.089 -9.846 551 H ALA 74 H ALA 74 21.908 21.305 -11.287 552 HA ALA 74 HA ALA 74 23.020 18.891 -11.966 553 HB1 ALA 74 1HB ALA 74 23.159 20.249 -13.756 554 HB2 ALA 74 2HB ALA 74 23.463 21.684 -12.777 555 HB3 ALA 74 3HB ALA 74 24.780 20.569 -13.140 556 H ASP 75 H ASP 75 24.448 21.461 -10.010 557 HA ASP 75 HA ASP 75 27.043 20.415 -9.816 558 HB2 ASP 75 1HB ASP 75 25.414 22.347 -8.241 559 HB3 ASP 75 2HB ASP 75 26.869 21.703 -7.486 560 H LYS 76 H LYS 76 24.138 19.828 -7.899 561 HA LYS 76 HA LYS 76 25.328 18.298 -5.864 562 HB2 LYS 76 1HB LYS 76 22.519 18.110 -6.969 563 HB3 LYS 76 2HB LYS 76 23.059 17.459 -5.427 564 HG2 LYS 76 1HG LYS 76 23.315 20.376 -6.054 565 HG3 LYS 76 2HG LYS 76 21.809 19.693 -5.436 566 HD2 LYS 76 1HD LYS 76 23.252 18.687 -3.572 567 HD3 LYS 76 2HD LYS 76 24.503 19.809 -4.111 568 HE2 LYS 76 1HE LYS 76 22.558 21.564 -3.913 569 HE3 LYS 76 2HE LYS 76 21.874 20.364 -2.818 570 HZ1 LYS 76 3HZ LYS 76 24.350 20.484 -1.890 571 HZ2 LYS 76 1HZ LYS 76 23.112 21.493 -1.331 572 HZ3 LYS 76 2HZ LYS 76 24.211 22.062 -2.483 573 H GLY 77 H GLY 77 23.744 17.295 -8.892 574 HA2 GLY 77 1HA GLY 77 25.032 15.486 -10.080 575 HA3 GLY 77 2HA GLY 77 24.994 14.641 -8.540 576 H TYR 78 H TYR 78 22.513 16.401 -10.394 577 HA TYR 78 HA TYR 78 20.785 14.036 -10.124 578 HB2 TYR 78 1HB TYR 78 20.053 16.928 -10.626 579 HB3 TYR 78 2HB TYR 78 18.904 15.599 -10.514 580 HD1 TYR 78 1HD TYR 78 19.354 14.113 -8.259 581 HD2 TYR 78 2HD TYR 78 20.194 18.254 -8.754 582 HE1 TYR 78 1HE TYR 78 19.225 14.424 -5.823 583 HE2 TYR 78 2HE TYR 78 20.069 18.577 -6.319 584 HH TYR 78 HH TYR 78 19.985 15.954 -4.119 585 H THR 79 H THR 79 19.186 13.768 -11.949 586 HA THR 79 HA THR 79 20.225 14.594 -14.553 587 HB THR 79 HB THR 79 19.850 12.177 -15.355 588 HG1 THR 79 1HG THR 79 19.946 11.858 -12.541 589 HG21 THR 79 3HG2 THR 79 22.160 13.197 -13.763 590 HG22 THR 79 1HG2 THR 79 22.050 12.853 -15.489 591 HG23 THR 79 2HG2 THR 79 22.180 11.528 -14.332 592 H LEU 80 H LEU 80 18.689 14.687 -16.174 593 HA LEU 80 HA LEU 80 16.165 15.419 -15.729 594 HB2 LEU 80 1HB LEU 80 17.197 13.725 -17.988 595 HB3 LEU 80 2HB LEU 80 15.563 14.382 -17.967 596 HG LEU 80 HG LEU 80 18.052 16.078 -17.844 597 HD11 LEU 80 1HD1 LEU 80 16.391 15.210 -20.198 598 HD12 LEU 80 2HD1 LEU 80 18.122 14.983 -19.948 599 HD13 LEU 80 3HD1 LEU 80 17.477 16.600 -20.231 600 HD21 LEU 80 3HD2 LEU 80 15.664 17.284 -18.918 601 HD22 LEU 80 1HD2 LEU 80 16.683 17.808 -17.577 602 HD23 LEU 80 2HD2 LEU 80 15.379 16.654 -17.294 603 H THR 81 H THR 81 17.041 12.019 -16.355 604 HA THR 81 HA THR 81 14.547 10.876 -16.008 605 HB THR 81 HB THR 81 17.160 9.630 -15.136 606 HG1 THR 81 1HG THR 81 17.355 10.308 -17.275 607 HG21 THR 81 3HG2 THR 81 14.616 8.662 -14.842 608 HG22 THR 81 1HG2 THR 81 16.071 7.672 -14.954 609 HG23 THR 81 2HG2 THR 81 15.096 7.974 -16.393 610 H GLN 82 H GLN 82 16.981 11.672 -13.564 611 HA GLN 82 HA GLN 82 15.511 10.560 -11.389 612 HB2 GLN 82 1HB GLN 82 17.871 12.415 -11.577 613 HB3 GLN 82 2HB GLN 82 17.134 12.026 -10.028 614 HG2 GLN 82 1HG GLN 82 18.490 10.162 -11.951 615 HG3 GLN 82 2HG GLN 82 18.970 10.570 -10.304 616 HE21 GLN 82 1HE2 GLN 82 16.699 8.802 -12.274 617 HE22 GLN 82 2HE2 GLN 82 16.132 7.751 -11.026 618 H MET 83 H MET 83 16.311 13.966 -12.101 619 HA MET 83 HA MET 83 14.643 15.181 -10.298 620 HB2 MET 83 1HB MET 83 16.251 16.417 -11.653 621 HB3 MET 83 2HB MET 83 15.301 16.106 -13.100 622 HG2 MET 83 1HG MET 83 13.726 17.658 -12.574 623 HG3 MET 83 2HG MET 83 13.958 17.468 -10.838 624 HE1 MET 83 3HE MET 83 17.587 18.041 -11.166 625 HE2 MET 83 1HE MET 83 17.159 19.379 -10.098 626 HE3 MET 83 2HE MET 83 16.368 17.813 -9.910 627 H SER 84 H SER 84 13.822 14.500 -13.704 628 HA SER 84 HA SER 84 11.212 15.336 -13.725 629 HB2 SER 84 1HB SER 84 10.881 13.974 -15.637 630 HB3 SER 84 2HB SER 84 12.598 14.377 -15.652 631 HG SER 84 HG SER 84 11.408 11.956 -15.481 632 H ASN 85 H ASN 85 12.456 12.201 -12.643 633 HA ASN 85 HA ASN 85 10.008 10.948 -12.148 634 HB2 ASN 85 1HB ASN 85 12.806 10.573 -11.207 635 HB3 ASN 85 2HB ASN 85 11.532 9.783 -10.282 636 HD21 ASN 85 1HD2 ASN 85 12.909 7.940 -11.131 637 HD22 ASN 85 2HD2 ASN 85 12.406 7.237 -12.627 638 H PHE 86 H PHE 86 11.759 13.343 -10.336 639 HA PHE 86 HA PHE 86 10.128 12.986 -7.961 640 HB2 PHE 86 1HB PHE 86 12.205 15.098 -8.574 641 HB3 PHE 86 2HB PHE 86 11.480 14.780 -7.002 642 HD1 PHE 86 1HD PHE 86 11.534 11.799 -7.029 643 HD2 PHE 86 2HD PHE 86 14.463 14.667 -8.172 644 HE1 PHE 86 1HE PHE 86 13.313 10.173 -6.536 645 HE2 PHE 86 2HE PHE 86 16.247 13.046 -7.682 646 HZ PHE 86 HZ PHE 86 15.674 10.795 -6.864 647 H LEU 87 H LEU 87 10.614 15.418 -10.494 648 HA LEU 87 HA LEU 87 8.420 17.027 -9.482 649 HB2 LEU 87 1HB LEU 87 10.069 17.388 -11.979 650 HB3 LEU 87 2HB LEU 87 8.979 18.572 -11.261 651 HG LEU 87 HG LEU 87 11.492 17.552 -9.942 652 HD11 LEU 87 1HD1 LEU 87 10.976 19.986 -11.627 653 HD12 LEU 87 2HD1 LEU 87 12.223 18.756 -11.829 654 HD13 LEU 87 3HD1 LEU 87 12.312 19.887 -10.479 655 HD21 LEU 87 3HD2 LEU 87 10.014 20.057 -9.250 656 HD22 LEU 87 1HD2 LEU 87 11.116 19.096 -8.263 657 HD23 LEU 87 2HD2 LEU 87 9.487 18.505 -8.597 658 H LYS 88 H LYS 88 7.845 14.337 -10.412 659 HA LYS 88 HA LYS 88 6.503 14.632 -12.958 660 HB2 LYS 88 1HB LYS 88 7.625 12.499 -11.791 661 HB3 LYS 88 2HB LYS 88 5.978 12.282 -11.214 662 HG2 LYS 88 1HG LYS 88 5.166 11.803 -13.280 663 HG3 LYS 88 2HG LYS 88 6.352 12.817 -14.105 664 HD2 LYS 88 1HD LYS 88 7.195 10.787 -14.679 665 HD3 LYS 88 2HD LYS 88 8.006 10.969 -13.121 666 HE2 LYS 88 1HE LYS 88 5.971 9.776 -12.132 667 HE3 LYS 88 2HE LYS 88 5.573 9.339 -13.793 668 HZ1 LYS 88 3HZ LYS 88 8.083 8.659 -12.358 669 HZ2 LYS 88 1HZ LYS 88 7.758 8.286 -13.977 670 HZ3 LYS 88 2HZ LYS 88 6.832 7.589 -12.746 671 H SER 89 H SER 89 5.627 16.393 -10.861 672 HA SER 89 HA SER 89 3.501 15.889 -9.348 673 HB2 SER 89 1HB SER 89 4.472 18.173 -10.175 674 HB3 SER 89 2HB SER 89 3.165 18.094 -11.356 675 HG SER 89 HG SER 89 2.304 19.125 -9.632 676 H LYS 90 H LYS 90 2.311 14.087 -9.927 677 HA LYS 90 HA LYS 90 1.227 13.222 -12.195 678 HB2 LYS 90 1HB LYS 90 0.019 13.418 -9.461 679 HB3 LYS 90 2HB LYS 90 -0.943 12.779 -10.788 680 HG2 LYS 90 1HG LYS 90 1.780 11.679 -10.244 681 HG3 LYS 90 2HG LYS 90 0.395 11.158 -9.282 682 HD2 LYS 90 1HD LYS 90 0.230 11.142 -12.268 683 HD3 LYS 90 2HD LYS 90 1.061 9.833 -11.425 684 HE2 LYS 90 1HE LYS 90 -1.153 9.090 -11.693 685 HE3 LYS 90 2HE LYS 90 -1.040 9.614 -10.013 686 HZ1 LYS 90 3HZ LYS 90 -3.040 10.346 -11.464 687 HZ2 LYS 90 1HZ LYS 90 -1.967 11.511 -12.059 688 HZ3 LYS 90 2HZ LYS 90 -2.326 11.457 -10.407 689 H THR 91 H THR 91 0.177 16.104 -10.491 690 HA THR 91 HA THR 91 -2.215 16.676 -11.717 691 HB THR 91 HB THR 91 -0.029 18.641 -11.003 692 HG1 THR 91 1HG THR 91 -2.351 18.112 -9.483 693 HG21 THR 91 3HG2 THR 91 -2.927 19.017 -11.718 694 HG22 THR 91 1HG2 THR 91 -1.514 19.823 -12.400 695 HG23 THR 91 2HG2 THR 91 -2.038 20.200 -10.758 696 H ALA 92 H ALA 92 -2.821 17.930 -13.531 697 HA ALA 92 HA ALA 92 -1.681 17.284 -15.942 698 HB1 ALA 92 1HB ALA 92 -3.555 18.258 -16.616 699 HB2 ALA 92 2HB ALA 92 -3.759 19.020 -15.038 700 HB3 ALA 92 3HB ALA 92 -2.830 19.834 -16.297 701 H GLY 93 H GLY 93 0.584 17.502 -15.826 702 HA2 GLY 93 1HA GLY 93 2.619 18.625 -15.797 703 HA3 GLY 93 2HA GLY 93 1.819 19.526 -17.076 704 H LYS 94 H LYS 94 2.681 19.494 -13.688 705 HA LYS 94 HA LYS 94 1.704 22.222 -13.331 706 HB2 LYS 94 1HB LYS 94 1.305 20.515 -11.567 707 HB3 LYS 94 2HB LYS 94 3.044 20.383 -11.339 708 HG2 LYS 94 1HG LYS 94 3.148 22.706 -10.634 709 HG3 LYS 94 2HG LYS 94 1.413 22.879 -10.909 710 HD2 LYS 94 1HD LYS 94 0.956 21.218 -9.190 711 HD3 LYS 94 2HD LYS 94 2.687 20.974 -8.944 712 HE2 LYS 94 1HE LYS 94 2.960 23.152 -8.058 713 HE3 LYS 94 2HE LYS 94 1.358 23.651 -8.600 714 HZ1 LYS 94 3HZ LYS 94 0.778 21.570 -7.013 715 HZ2 LYS 94 1HZ LYS 94 0.783 23.183 -6.502 716 HZ3 LYS 94 2HZ LYS 94 2.133 22.203 -6.223 717 H TYR 95 H TYR 95 4.728 20.557 -12.431 718 HA TYR 95 HA TYR 95 6.185 23.052 -12.715 719 HB2 TYR 95 1HB TYR 95 7.112 20.305 -11.852 720 HB3 TYR 95 2HB TYR 95 8.098 21.763 -11.821 721 HD1 TYR 95 2HD TYR 95 5.302 19.988 -10.246 722 HD2 TYR 95 1HD TYR 95 7.756 23.462 -10.132 723 HE1 TYR 95 2HE TYR 95 4.475 20.491 -7.985 724 HE2 TYR 95 1HE TYR 95 6.937 23.973 -7.870 725 HH TYR 95 HH TYR 95 5.941 22.635 -5.927 726 H ASP 96 H ASP 96 5.242 22.390 -15.145 727 HA ASP 96 HA ASP 96 7.084 20.798 -16.657 728 HB2 ASP 96 1HB ASP 96 4.825 20.929 -17.447 729 HB3 ASP 96 2HB ASP 96 4.875 22.689 -17.472 730 H ARG 97 H ARG 97 6.732 24.191 -15.890 731 HA ARG 97 HA ARG 97 8.584 25.130 -17.852 732 HB2 ARG 97 1HB ARG 97 7.389 26.371 -15.379 733 HB3 ARG 97 2HB ARG 97 8.558 27.217 -16.382 734 HG2 ARG 97 1HG ARG 97 6.544 27.989 -17.194 735 HG3 ARG 97 2HG ARG 97 6.930 26.683 -18.317 736 HD2 ARG 97 1HD ARG 97 5.480 25.171 -17.044 737 HD3 ARG 97 2HD ARG 97 5.088 26.486 -15.937 738 HE ARG 97 HE ARG 97 4.516 27.063 -18.699 739 HH11 ARG 97 2HH1 ARG 97 3.313 25.683 -15.738 740 HH12 ARG 97 1HH1 ARG 97 1.647 25.894 -16.163 741 HH21 ARG 97 2HH2 ARG 97 2.326 27.346 -19.271 742 HH22 ARG 97 1HH2 ARG 97 1.087 26.839 -18.174 743 H VAL 98 H VAL 98 8.794 24.202 -14.460 744 HA VAL 98 HA VAL 98 11.427 25.106 -13.996 745 HB VAL 98 HB VAL 98 9.929 22.847 -12.660 746 HG11 VAL 98 1HG1 VAL 98 11.623 23.737 -10.780 747 HG12 VAL 98 2HG1 VAL 98 12.005 22.406 -11.874 748 HG13 VAL 98 3HG1 VAL 98 12.599 24.030 -12.218 749 HG21 VAL 98 3HG2 VAL 98 8.847 25.092 -12.558 750 HG22 VAL 98 1HG2 VAL 98 9.310 24.445 -10.984 751 HG23 VAL 98 2HG2 VAL 98 10.290 25.698 -11.746 752 H TYR 99 H TYR 99 10.131 22.038 -15.173 753 HA TYR 99 HA TYR 99 12.632 20.677 -15.189 754 HB2 TYR 99 1HB TYR 99 10.502 19.465 -15.123 755 HB3 TYR 99 2HB TYR 99 10.086 20.088 -16.716 756 HD1 TYR 99 1HD TYR 99 12.747 18.114 -14.992 757 HD2 TYR 99 2HD TYR 99 10.571 18.805 -18.583 758 HE1 TYR 99 1HE TYR 99 13.857 16.180 -16.030 759 HE2 TYR 99 2HE TYR 99 11.674 16.871 -19.630 760 HH TYR 99 HH TYR 99 12.991 15.094 -19.286 761 H ASN 100 H ASN 100 10.767 22.433 -17.626 762 HA ASN 100 HA ASN 100 12.144 21.850 -19.919 763 HB2 ASN 100 1HB ASN 100 10.846 24.389 -18.966 764 HB3 ASN 100 2HB ASN 100 11.641 24.321 -20.536 765 HD21 ASN 100 1HD2 ASN 100 9.135 24.924 -20.711 766 HD22 ASN 100 2HD2 ASN 100 8.152 23.589 -21.200 767 H GLY 101 H GLY 101 12.945 24.447 -17.608 768 HA2 GLY 101 1HA GLY 101 15.241 25.384 -18.883 769 HA3 GLY 101 2HA GLY 101 14.930 25.506 -17.158 770 H TYR 102 H TYR 102 15.230 23.285 -16.000 771 HA TYR 102 HA TYR 102 17.857 22.652 -15.847 772 HB2 TYR 102 1HB TYR 102 16.096 21.835 -14.295 773 HB3 TYR 102 2HB TYR 102 15.617 20.647 -15.502 774 HD1 TYR 102 1HD TYR 102 19.081 21.650 -14.632 775 HD2 TYR 102 2HD TYR 102 16.089 18.637 -14.371 776 HE1 TYR 102 1HE TYR 102 20.750 20.079 -13.740 777 HE2 TYR 102 2HE TYR 102 17.749 17.057 -13.477 778 HH TYR 102 HH TYR 102 21.159 17.972 -13.138 779 H VAL 103 H VAL 103 15.492 21.138 -18.005 780 HA VAL 103 HA VAL 103 16.984 19.095 -19.080 781 HB VAL 103 HB VAL 103 15.055 20.903 -20.542 782 HG11 VAL 103 1HG1 VAL 103 14.842 18.574 -21.830 783 HG12 VAL 103 2HG1 VAL 103 15.969 19.839 -22.325 784 HG13 VAL 103 3HG1 VAL 103 16.539 18.476 -21.360 785 HG21 VAL 103 3HG2 VAL 103 14.676 18.970 -18.489 786 HG22 VAL 103 1HG2 VAL 103 13.462 19.902 -19.364 787 HG23 VAL 103 2HG2 VAL 103 13.988 18.337 -19.984 788 H ILE 104 H ILE 104 16.718 22.371 -20.474 789 HA ILE 104 HA ILE 104 18.786 21.979 -22.363 790 HB ILE 104 HB ILE 104 17.628 24.538 -21.256 791 HG12 ILE 104 1HG1 ILE 104 16.707 24.436 -23.749 792 HG13 ILE 104 2HG1 ILE 104 16.935 22.707 -23.508 793 HG21 ILE 104 1HG2 ILE 104 19.404 24.123 -23.658 794 HG22 ILE 104 2HG2 ILE 104 18.630 25.639 -23.197 795 HG23 ILE 104 3HG2 ILE 104 19.859 24.924 -22.154 796 HD11 ILE 104 3HD1 ILE 104 14.648 23.785 -22.981 797 HD12 ILE 104 1HD1 ILE 104 15.321 22.594 -21.868 798 HD13 ILE 104 2HD1 ILE 104 15.433 24.313 -21.493 799 H HIS 105 H HIS 105 18.719 23.566 -19.189 800 HA HIS 105 HA HIS 105 21.144 24.710 -18.971 801 HB2 HIS 105 1HB HIS 105 19.534 24.587 -17.118 802 HB3 HIS 105 2HB HIS 105 19.919 22.883 -16.892 803 HD1 HIS 105 1HD HIS 105 21.281 26.319 -16.310 804 HD2 HIS 105 2HD HIS 105 22.312 22.368 -15.546 805 HE1 HIS 105 1HE HIS 105 23.196 26.426 -14.683 806 HE2 HIS 105 2HE HIS 105 23.858 24.026 -14.302 807 H LEU 106 H LEU 106 20.523 21.235 -18.853 808 HA LEU 106 HA LEU 106 23.134 20.421 -18.192 809 HB2 LEU 106 1HB LEU 106 20.761 19.121 -19.432 810 HB3 LEU 106 2HB LEU 106 22.314 18.292 -19.515 811 HG LEU 106 HG LEU 106 20.845 19.098 -17.006 812 HD11 LEU 106 1HD1 LEU 106 20.139 16.956 -16.802 813 HD12 LEU 106 2HD1 LEU 106 21.539 16.293 -17.644 814 HD13 LEU 106 3HD1 LEU 106 20.224 17.026 -18.562 815 HD21 LEU 106 3HD2 LEU 106 22.780 17.433 -16.175 816 HD22 LEU 106 1HD2 LEU 106 22.952 19.188 -16.196 817 HD23 LEU 106 2HD2 LEU 106 23.618 18.221 -17.512 818 H ASP 107 H ASP 107 21.561 21.029 -21.294 819 HA ASP 107 HA ASP 107 23.198 20.029 -23.157 820 HB2 ASP 107 1HB ASP 107 22.434 21.638 -24.616 821 HB3 ASP 107 2HB ASP 107 21.266 21.826 -23.311 822 H TYR 108 H TYR 108 24.001 22.688 -21.010 823 HA TYR 108 HA TYR 108 26.188 23.842 -22.070 824 HB2 TYR 108 1HB TYR 108 26.791 24.484 -19.945 825 HB3 TYR 108 2HB TYR 108 25.138 23.957 -19.647 826 HD1 TYR 108 1HD TYR 108 24.752 21.657 -18.688 827 HD2 TYR 108 2HD TYR 108 28.613 23.435 -18.874 828 HE1 TYR 108 1HE TYR 108 25.559 20.066 -16.995 829 HE2 TYR 108 2HE TYR 108 29.431 21.848 -17.182 830 HH TYR 108 HH TYR 108 27.498 19.156 -16.100
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